#DEFINITION	Reference Metabolome for Syzygium hancei
#IDENTTFIER	RefMeta-Syzygium hancei.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Syzygium hancei
#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 Syzygium hancei was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1954
Annotation	CHEBI:70566
Peak:m/z	Relative Intensity
52.17663	1.4
53.03943	3.9
55.01862	5.9
55.05303	1.5
55.05515	16.1
57.07069	5.1
59.04937	1.4
65.03937	4.2
67.01852	2.3
67.05505	70.6
67.36707	1.3
68.99786	6.0
69.03426	7.1
69.07060	11.0
70.06579	1.6
70.83154	1.5
71.57126	1.6
75.95643	1.4
79.05060	2.5
79.05495	42.0
81.07059	66.6
83.01344	13.3
83.04972	5.1
83.08614	5.7
85.02891	2.3
88.07614	1.5
91.05480	20.5
93.06463	3.2
93.07042	46.7
95.04997	8.3
95.08606	52.6
96.08970	1.5
96.67471	1.3
97.06545	11.3
98.77095	1.6
99.04436	1.8
103.05443	1.3
104.80177	1.3
105.03374	1.5
105.07037	15.2
106.08669	2.1
106.15210	1.5
107.04949	4.6
107.08598	38.6
109.06488	5.5
109.10156	43.7
111.00814	1.9
111.04427	5.3
111.08077	4.8
117.07030	8.2
119.04957	3.8
119.08604	9.1
121.02885	2.6
121.06490	5.2
121.10145	23.0
123.04427	4.0
123.08073	5.3
123.11687	8.6
125.02369	10.5
125.06005	6.7
127.03928	2.9
129.07048	3.3
131.08578	16.1
133.06503	2.8
133.10138	9.1
135.08046	6.4
135.11673	9.7
137.02347	8.2
137.05957	4.4
137.09598	3.2
139.03909	6.1
139.07518	1.7
139.71400	1.4
140.04692	2.4
141.05461	12.0
143.08580	3.6
145.10117	13.0
147.04390	4.2
147.08073	4.3
147.11716	5.3
149.09613	6.2
149.13275	4.2
151.03894	3.6
151.07510	3.6
151.11156	5.0
153.01826	23.1
153.05464	37.5
155.08519	3.4
157.10097	1.7
159.08055	3.3
159.11714	7.4
161.05989	2.3
161.09628	4.7
161.13248	6.5
163.03897	4.6
163.07573	8.8
163.11166	3.6
163.14842	23.0
165.01855	4.3
165.05464	2.0
165.06876	1.5
165.09113	5.1
167.03424	2.3
167.07048	3.4
168.00572	7.2
169.10139	5.0
171.11711	3.4
173.09627	3.4
173.13260	6.0
175.07541	2.8
175.11195	3.5
175.14807	1.7
177.05394	2.5
177.09125	4.5
177.12766	3.5
179.06993	3.4
181.04897	2.3
181.08603	4.1
182.10939	1.5
183.02882	28.1
183.11679	4.6
185.13283	3.2
186.01596	7.3
187.07562	2.6
187.11238	10.7
187.14806	20.0
189.16486	2.0
191.07004	1.8
193.08601	4.2
195.10106	7.8
197.09633	3.9
197.13310	3.0
199.14873	1.7
201.01790	2.2
201.05502	2.8
201.12694	9.2
201.16422	3.2
207.13753	2.8
209.11740	7.6
211.14777	2.2
215.10678	5.5
215.14351	4.3
221.11824	1.8
223.13321	4.7
224.50427	1.4
229.05009	9.1
229.12228	4.8
229.15839	5.3
229.19536	5.1
239.17982	4.9
243.13843	2.7
247.13185	2.3
257.00748	4.1
257.04431	5.6
257.19000	20.2
257.21765	2.5
257.22546	2.2
259.20468	2.9
261.14975	2.6
267.17529	2.7
275.01886	3.0
285.00476	2.1
285.03915	1.8
285.14966	4.4
285.18521	29.9
285.29840	2.4
288.05258	6.2
303.01355	17.2
303.04965	100.0
303.08298	15.4
303.15884	18.3
303.19522	76.5
303.23166	7.3
303.30823	25.0
304.05347	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	303.1591
Annotation	Prosolanapyrone III
Peak:m/z	Relative Intensity
53.03931	2.1
55.01868	1.3
55.05510	3.7
57.07084	3.3
67.01842	1.3
67.05505	10.5
68.99783	2.4
69.03440	1.7
69.07060	2.8
69.92901	2.8
70.06584	2.4
73.67104	0.7
74.22826	0.6
74.46773	0.6
74.91532	0.7
79.01846	0.6
79.05496	22.3
81.03409	1.0
81.07058	9.0
83.04967	1.1
88.07632	1.8
91.05478	11.0
93.07049	41.1
95.04985	3.9
95.08617	7.9
97.02915	1.2
97.06495	0.6
98.20988	1.4
105.04504	0.9
105.07031	5.7
106.08649	1.0
107.04945	1.1
107.08593	16.5
109.06524	1.2
109.10143	1.8
111.00810	1.6
111.04475	1.0
111.08087	1.2
117.07001	1.3
119.08557	1.3
121.06580	0.8
121.10131	2.9
123.04433	2.4
127.03908	2.0
131.08635	1.3
133.10152	5.8
135.08017	1.0
135.11699	36.0
136.12015	0.9
137.02339	1.2
137.05978	1.5
139.03905	18.8
145.10222	0.8
147.04410	1.1
149.02339	0.6
149.05981	1.1
149.13289	3.1
151.03935	3.2
153.01834	100.0
153.05301	3.1
155.03419	0.8
159.11745	3.2
159.12872	0.6
161.06056	1.0
163.03897	3.9
165.01846	1.7
165.05505	3.7
167.03387	2.0
167.07083	1.0
168.00542	1.7
169.05029	0.8
173.13203	1.0
173.43520	0.6
177.05510	2.2
177.12790	4.5
179.03307	3.4
181.04956	7.6
183.02881	5.4
183.51245	0.7
186.01663	1.2
191.03394	0.9
191.07076	1.4
193.05028	1.5
193.08591	1.4
195.06538	2.6
201.05440	1.1
205.04964	1.5
208.57607	0.7
221.08093	1.2
229.04939	1.8
243.10225	1.1
245.32228	0.6
257.04507	1.6
285.03940	0.7
285.14893	6.8
285.29883	1.0
288.05319	1.2
302.30545	1.7
303.01404	2.3
303.05011	18.6
303.08423	2.8
303.15933	29.2
303.23322	1.0
303.30878	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	303.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01867	0.5
55.05514	2.7
57.03426	0.7
57.07067	0.6
59.05001	15.7
65.03935	0.3
67.05491	0.5
68.99775	0.4
69.03427	11.4
69.07064	0.6
70.06554	0.3
70.50883	0.7
70.51208	0.3
71.04988	1.3
73.06556	4.7
74.86504	0.2
77.11468	0.2
79.05477	0.6
81.03419	3.1
81.07053	0.5
83.04986	3.5
85.02905	3.4
85.06526	0.8
87.04470	33.6
89.03913	0.6
91.05476	1.2
93.07032	0.3
95.04942	0.7
95.08611	0.5
97.02892	4.3
97.06507	0.3
98.21222	0.4
99.04452	2.3
101.06017	3.8
103.05462	0.4
103.07568	0.5
105.07004	0.4
107.04958	1.0
109.02886	1.6
113.02361	1.0
113.05975	0.5
115.03961	0.4
115.07597	1.3
117.03355	0.8
117.05484	0.4
119.04932	0.7
121.06535	0.3
123.04416	1.1
123.08038	0.4
125.02372	0.8
125.06002	0.3
127.03926	3.0
129.03358	0.5
129.05453	0.4
137.05971	1.3
139.03883	0.5
139.07515	1.0
141.05447	0.7
141.09116	0.5
143.03413	1.3
143.06969	0.3
145.02852	1.9
145.04958	0.3
147.04375	1.7
149.06029	0.3
151.03925	0.8
151.07544	0.7
153.01831	0.4
153.05475	0.5
155.07071	0.6
157.02856	1.2
157.08556	0.3
161.02245	0.3
163.03880	1.4
163.07513	0.3
165.07008	0.5
167.03409	3.6
167.07076	1.6
168.00598	0.5
173.02348	4.8
173.04439	0.7
173.05850	0.3
175.03899	0.8
181.06467	0.3
183.00815	0.6
183.02939	1.3
183.04277	0.3
183.08061	0.7
185.02324	0.7
185.08034	1.4
189.01820	0.4
191.03403	2.4
199.09518	0.3
200.99969	0.5
201.01837	11.2
202.02205	0.5
203.03349	1.7
203.09219	0.4
207.02808	0.6
211.07527	0.8
213.01860	1.3
215.10609	0.6
217.01352	1.0
217.79358	0.3
219.02940	1.9
227.09067	0.6
229.01334	8.7
229.04874	0.5
230.01601	0.5
231.02869	2.0
231.08635	0.6
241.01266	1.1
243.10455	0.3
247.02394	8.2
257.00806	20.5
258.01123	0.7
259.02332	2.9
271.09668	0.8
275.01874	16.8
276.02231	0.7
285.00314	14.8
285.13467	2.1
286.00845	0.8
297.02771	0.3
303.01355	100.0
303.14377	3.3
304.01727	3.6
310.18079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1591
Annotation	Prosolanapyrone III
Peak:m/z	Relative Intensity
53.03938	2.2
55.01872	4.2
55.05500	5.2
58.00997	1.6
65.03935	2.9
65.59506	1.5
67.05510	39.5
68.99781	8.1
69.03414	6.2
69.07053	5.1
69.34312	9.0
69.34736	6.0
72.74386	1.7
79.05499	25.3
81.03425	3.0
81.07062	29.5
83.08609	2.5
85.06512	1.8
91.05486	17.5
93.07047	37.1
95.04958	7.2
95.08119	2.0
95.08607	20.4
97.06512	1.8
98.21260	7.5
105.07017	7.2
107.04954	2.0
107.08607	15.5
109.06518	4.9
109.10162	5.3
111.00809	3.3
111.04443	2.7
111.08060	2.8
112.52596	1.7
117.06989	2.8
119.04894	3.3
119.08585	7.1
121.06487	1.8
121.10153	15.3
123.04450	8.4
123.11752	3.0
127.03882	5.4
131.08574	4.7
133.06535	1.8
133.10141	15.0
135.11708	26.7
137.05986	18.6
139.03908	84.5
145.10139	4.8
147.04414	3.9
147.11659	2.1
149.05986	3.7
149.09688	1.9
149.13271	4.8
151.03929	19.3
153.01840	90.7
153.05490	12.1
159.11691	9.4
161.05966	2.9
163.03888	14.6
163.11195	4.3
165.01859	16.4
165.05489	34.8
167.03407	22.4
167.07074	3.6
168.00513	3.6
177.05479	12.7
177.09286	2.4
177.12764	7.9
177.16415	2.5
179.03380	8.1
179.07028	5.5
181.04938	9.1
183.02945	16.7
189.05460	4.2
191.03477	4.2
191.07051	6.8
193.04968	9.3
193.08656	8.2
195.06538	5.4
201.05415	2.7
203.07060	8.4
205.05005	2.9
205.08606	4.6
207.06441	2.7
207.10226	2.9
217.08609	3.7
219.10210	4.3
221.08307	1.7
232.30396	1.9
267.14059	1.9
285.14844	20.9
288.05325	6.6
303.01425	3.6
303.04984	27.0
303.08176	8.3
303.15933	100.0
303.19406	6.5
303.30664	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05523	0.3
67.01866	0.2
67.05505	0.4
68.99805	0.5
69.07043	0.2
70.82114	0.5
70.83848	0.2
71.04987	0.2
79.05495	1.0
81.03423	0.4
81.07043	0.8
82.84034	0.2
91.05490	0.3
93.07030	0.5
95.04962	1.2
95.08592	0.7
96.95719	0.2
97.02879	0.2
100.45531	0.2
105.04488	0.3
105.07011	0.4
107.04957	100.0
108.05278	0.8
109.02892	0.4
109.10199	0.3
111.00826	0.4
115.05404	0.2
117.07005	0.2
119.08596	0.4
121.02843	0.4
121.06495	0.8
121.10139	0.3
123.04408	0.2
123.08101	0.3
127.03876	0.2
131.04941	0.5
133.10135	0.3
135.08017	0.3
137.02357	1.3
137.06000	0.6
149.05983	1.7
151.07588	0.9
153.01837	2.0
153.05457	0.3
155.04967	0.2
155.07037	2.8
161.05927	0.3
163.03905	0.3
163.07513	0.3
165.01823	0.5
171.60031	0.2
173.05948	0.3
179.07005	1.8
180.99603	0.2
181.05049	0.3
183.02885	0.5
183.04327	0.2
183.07922	0.2
195.02863	0.2
197.08093	16.1
201.05486	0.7
211.07570	0.3
229.04977	1.6
243.10295	0.2
247.05945	0.2
257.00620	0.2
257.04550	0.9
274.04803	0.4
285.03824	0.5
303.01450	1.2
303.04947	16.9
303.12210	3.5
303.23123	0.7
304.05237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01886	0.3
65.03939	0.5
67.01869	0.2
67.05506	0.3
68.99793	2.1
70.86234	0.6
77.68147	0.2
81.03426	0.7
89.11188	0.2
93.03414	0.7
95.04964	0.7
103.05470	0.3
105.03413	0.4
109.02869	1.1
111.00809	2.2
115.05538	0.3
115.95187	0.2
117.06995	0.4
121.02885	2.1
123.04443	0.8
124.21635	0.2
127.03904	0.4
131.04970	0.4
135.04419	0.5
137.02347	7.6
137.03369	0.4
145.06479	0.8
149.02376	0.9
153.01837	9.5
155.04915	1.0
161.06009	0.6
163.03909	1.0
165.01834	3.7
166.02629	0.5
173.05984	1.6
177.05460	0.4
179.03381	0.3
183.02882	1.4
183.04462	0.8
187.03925	1.0
191.03505	0.3
195.02916	0.3
201.05478	5.1
205.04974	0.6
211.03983	0.5
213.05513	0.3
215.03487	0.3
219.02979	0.3
219.06546	0.5
228.04164	0.8
229.04968	9.4
239.03471	0.3
246.05244	0.3
247.06007	1.3
257.04477	4.8
274.04803	1.4
275.05426	0.5
285.03949	2.7
303.05014	100.0
304.05344	1.8
309.50467	0.3
324.47202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72025	0.3
65.03930	0.3
67.05486	0.3
68.99790	1.9
69.43034	0.4
70.96597	0.5
70.96933	0.4
81.03401	0.7
85.27222	0.2
93.03428	0.5
95.04979	0.6
98.21126	0.3
108.18254	0.3
108.53760	0.3
109.02851	0.7
111.00793	1.7
116.24606	0.2
117.07042	0.5
121.02859	2.4
123.04415	0.8
127.03896	0.4
131.04955	0.3
133.06456	0.3
135.04437	0.3
137.02348	6.4
137.03401	0.5
145.06532	0.8
149.02344	0.7
153.01831	8.0
155.04886	0.7
161.05992	0.4
163.03900	0.9
165.01845	2.9
166.02631	0.4
173.06023	1.3
183.02922	1.2
183.04491	0.8
187.03900	0.8
195.02904	0.4
201.05486	4.5
205.04854	0.5
211.03888	0.4
219.02960	0.4
219.06514	0.6
227.62389	0.3
228.04138	0.7
229.04964	8.1
232.03851	0.3
239.03424	0.4
247.06050	1.2
257.04456	4.4
274.04620	1.3
275.05420	0.5
285.03940	2.2
303.05002	100.0
304.05322	1.1
305.70175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
65.03926	0.6
66.92123	0.2
67.01868	0.3
67.05498	0.3
68.99782	2.2
70.85999	0.3
81.03400	0.8
93.03393	0.7
95.04969	0.8
97.05139	0.2
98.21265	0.2
103.05477	0.2
105.03406	0.2
107.04948	0.2
109.02904	1.2
111.00820	2.0
117.06976	0.3
121.02883	1.8
122.48927	0.2
123.04409	0.7
127.03923	0.5
131.04945	0.2
135.04420	0.7
137.02348	7.1
137.03380	0.5
145.06499	0.5
149.02344	0.7
153.01830	10.0
155.04922	0.9
155.06032	0.2
160.00363	0.2
161.05978	0.6
163.03918	1.2
165.01828	3.4
166.02644	0.5
171.04701	0.1
173.05992	1.6
177.05515	0.3
179.03419	0.4
183.02895	1.2
183.04443	0.9
184.05153	0.2
187.03941	0.7
190.25383	0.2
191.03362	0.3
195.02844	0.3
201.05463	4.0
205.05040	0.4
211.03893	0.3
213.05629	0.2
215.03464	0.4
219.02866	0.3
219.06570	0.5
228.04260	0.5
229.04964	9.1
230.05374	0.2
232.03633	0.2
239.03503	0.4
245.04468	0.2
247.05977	1.3
257.04440	4.7
257.07034	0.3
258.05063	0.2
258.51865	0.2
274.04709	1.2
275.05548	0.3
285.03949	2.7
303.04990	100.0
304.05426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01870	0.5
62.84759	0.2
65.03942	0.5
67.01868	0.5
68.99788	2.1
69.03427	0.3
69.52148	0.2
71.01391	0.2
71.08646	0.5
78.50489	0.2
80.70003	0.2
81.03404	0.9
85.89391	0.2
93.03397	0.7
95.04980	0.7
109.02894	1.1
111.00816	1.7
112.47679	0.3
117.07014	0.3
121.02880	2.1
123.04443	0.5
127.03912	0.4
131.04918	0.4
135.04384	0.7
137.02351	7.3
137.03406	0.5
145.06494	0.8
149.02370	0.8
153.01834	10.6
155.04921	0.7
157.50940	0.2
161.05977	0.7
163.03934	1.2
165.01855	4.0
166.02625	0.3
173.05992	1.6
179.03403	0.4
183.02893	1.3
183.04430	1.1
187.03905	1.0
191.07179	0.3
195.02864	0.4
201.05470	4.7
205.05003	0.3
207.03084	0.2
211.03867	0.5
213.99135	0.3
217.05031	0.3
219.06525	0.6
228.04158	0.7
229.04958	9.6
239.03436	0.5
245.04369	0.3
247.05959	1.2
257.04449	4.8
274.04688	1.4
275.05408	0.4
285.03989	2.2
286.04590	0.3
303.05005	100.0
304.05368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.49127	0.2
55.01860	0.7
57.02444	0.3
65.03928	0.7
65.66308	0.2
67.01865	0.4
67.05491	0.3
68.99784	2.3
69.01434	0.2
69.03405	0.3
70.72617	0.7
71.04984	0.3
79.05475	0.4
81.03413	0.8
81.07063	0.5
84.70630	0.3
85.96711	0.2
89.03909	0.3
91.05449	0.4
93.03410	0.7
93.07023	0.4
95.04964	1.0
95.08615	0.6
97.02894	0.5
98.21228	0.3
101.62418	0.3
103.05466	0.3
105.03394	0.3
105.07028	0.5
107.04942	0.7
107.08602	0.3
109.02874	1.1
109.10194	0.2
111.00810	1.9
111.04430	0.4
117.03390	0.3
117.06992	0.4
118.27571	0.3
119.04996	0.3
119.08574	0.5
121.02869	2.1
123.04453	1.2
127.03931	0.3
131.04962	0.7
133.02919	0.3
133.10129	0.4
135.04416	1.0
135.11703	0.3
137.02348	7.5
137.03395	0.4
137.05930	0.3
141.76920	0.2
142.25845	0.2
145.02815	0.5
145.06497	0.7
147.04410	0.5
149.02382	0.5
151.03894	0.6
153.01840	11.2
153.07008	0.3
155.04929	0.9
159.04361	0.3
159.11662	0.3
161.05988	0.7
163.03920	2.8
165.01852	4.2
166.02565	0.5
167.03441	1.8
173.05984	1.6
177.01830	0.3
177.05409	0.5
179.03276	0.4
182.05347	0.2
183.02896	2.1
183.04434	0.7
183.08054	0.3
187.03854	0.8
191.03328	0.3
191.07114	0.2
193.04985	0.3
195.02859	0.3
201.05470	4.6
205.04988	0.7
211.07564	0.5
215.03517	0.3
219.06482	0.5
228.04199	0.6
229.04977	9.5
247.06090	1.0
257.00455	0.3
257.04434	4.9
271.09488	0.5
274.04807	1.3
285.03879	2.3
301.26099	0.2
303.05005	100.0
303.23135	0.9
304.05365	1.4
309.72098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01862	0.5
56.16135	0.2
64.76907	0.3
65.03928	0.6
67.01868	0.4
68.99789	2.3
69.98147	1.1
72.31329	0.2
79.02437	0.2
81.03416	0.7
93.03409	0.7
94.33231	0.2
95.04970	0.7
98.20835	0.5
98.21393	0.4
105.03352	0.3
107.04914	0.4
109.02866	1.0
111.00813	1.9
117.06989	0.4
121.02878	2.5
123.04427	0.5
127.03928	0.4
131.04868	0.5
133.06413	0.2
135.04416	0.5
137.02357	8.8
137.03407	0.8
142.09839	0.2
145.02937	0.3
145.06483	0.9
149.02345	0.9
153.01837	11.4
155.04938	1.2
159.04469	0.5
161.05978	0.9
163.03926	1.5
165.01849	4.4
166.02678	0.6
173.05952	1.7
177.05399	0.3
179.03464	0.4
183.02869	1.8
183.04445	1.1
187.03899	0.9
191.03378	0.4
195.02931	0.4
200.04630	0.2
201.05463	5.0
205.05045	0.4
207.02808	0.5
211.03867	0.3
215.03442	0.3
219.02902	0.3
219.06511	0.7
228.04221	0.9
229.04971	9.6
239.03436	0.6
245.04594	0.3
247.06030	1.3
257.04453	5.6
274.04712	1.4
284.27438	0.3
285.04016	2.2
303.04996	100.0
304.05313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63327	0.4
56.96537	0.5
59.70195	0.3
63.11767	0.4
68.00570	0.4
70.11684	1.8
80.32468	0.4
98.21115	1.0
98.97570	1.8
101.00881	1.8
102.09575	0.4
103.13889	0.4
113.47534	0.4
116.98627	2.0
119.01925	5.8
134.64127	0.4
134.99675	0.7
137.02962	1.3
158.99911	1.3
168.00496	0.6
170.29546	0.5
177.00961	14.8
178.01067	1.2
178.25467	0.4
179.00702	1.3
180.94292	0.4
182.99908	0.5
183.02879	0.9
201.00957	1.6
217.04065	2.2
219.02014	20.6
220.02158	1.9
221.01727	2.3
225.00909	2.4
243.02008	9.3
243.04292	0.8
244.02199	0.7
261.03073	100.0
262.03210	10.8
263.02954	0.8
266.03558	0.6
275.04584	1.4
279.00760	1.5
279.98273	1.0
282.99988	1.0
284.04620	2.9
284.99789	2.5
285.04736	0.6
301.01086	1.7
303.00934	5.1
303.05859	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76820	0.1
53.03950	0.1
55.01878	0.4
64.59365	0.1
65.03928	0.6
67.01847	0.3
67.05499	0.2
68.99788	2.4
69.03433	0.2
69.52119	0.3
69.52538	0.6
71.01324	0.1
71.91971	0.1
78.73346	0.1
79.05503	0.2
81.03437	0.7
81.07059	0.3
84.32900	0.1
91.05485	0.2
93.03412	0.6
93.06986	0.1
95.04983	1.0
95.08635	0.1
98.20991	0.4
103.05438	0.3
105.03415	0.1
105.07031	0.2
107.01295	0.2
107.04951	0.4
109.02882	1.2
110.03669	0.2
111.00800	2.2
115.05467	0.3
117.07000	0.5
119.04935	0.1
121.02885	2.4
121.10136	0.2
123.04455	0.9
123.08071	0.1
127.03932	0.6
131.04912	0.6
133.02849	0.2
133.06505	0.2
135.04405	0.4
137.02354	8.1
137.03395	0.5
137.06000	0.3
139.05321	0.1
144.08060	0.4
145.02835	0.1
145.06491	0.8
146.06055	0.2
147.04385	0.3
149.02379	0.8
151.03900	0.3
151.07541	0.2
153.01837	11.3
154.02235	0.2
155.04910	1.0
155.06056	0.2
158.09674	0.4
159.04451	0.2
161.05948	0.8
163.03899	1.2
165.01845	4.3
165.03247	0.2
166.02646	0.7
168.08061	0.3
173.05989	1.6
175.42566	0.1
177.01955	0.2
177.05501	0.3
179.03427	0.4
181.06537	0.1
183.02898	1.9
183.04457	1.0
185.05998	0.1
187.03918	0.8
188.07146	0.1
191.03412	0.4
191.07011	0.1
195.02908	0.4
200.04539	0.2
201.05476	4.9
205.05020	0.4
207.02814	0.2
211.03906	0.4
211.07712	0.2
213.05504	0.2
214.08650	0.2
215.03358	0.3
217.05025	0.2
218.06010	0.1
219.02960	0.3
219.06593	0.7
228.04198	0.7
229.04971	10.1
230.05501	0.2
231.11264	0.4
232.03780	0.2
233.04535	0.2
239.03398	0.4
243.10106	0.2
245.04495	0.4
247.06052	1.4
257.04456	4.9
271.09537	0.2
274.04742	1.6
275.05402	0.3
285.00742	0.2
285.03961	2.4
303.04999	100.0
304.05310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
65.03941	0.5
67.01852	0.4
67.05492	0.6
68.99787	2.5
69.03387	0.3
69.22655	0.2
69.42627	0.2
69.42987	1.7
77.17761	0.2
79.05466	0.5
81.03395	0.7
81.07054	0.5
89.09361	0.2
91.05464	0.6
93.03421	1.0
95.04952	0.8
96.95291	0.2
97.02889	0.3
98.21275	0.8
103.05460	0.4
105.03385	0.3
107.04947	0.4
109.02881	1.4
111.00809	1.5
115.05496	0.4
117.07015	0.4
119.04901	0.4
121.02883	2.3
123.04443	1.1
123.08068	0.2
123.65210	0.2
126.96149	0.2
127.03885	0.6
131.04887	0.5
133.02832	0.4
135.02464	0.2
135.04396	0.5
137.02351	7.8
137.03391	0.4
137.05959	0.3
145.02841	0.7
145.06464	0.9
147.04387	0.6
149.02362	1.0
151.03882	0.4
153.01834	10.2
155.04857	0.8
157.02785	0.3
161.05966	0.7
163.03934	1.6
165.01848	4.0
165.06935	0.3
166.02554	0.6
172.05190	0.4
173.02336	1.0
173.05983	1.6
175.03873	0.5
177.05394	0.4
179.03398	0.4
183.02853	1.7
183.04413	1.1
183.08003	0.3
185.02399	0.3
187.03986	1.0
191.03406	0.7
195.02960	0.5
200.04604	0.3
201.01837	2.2
201.05478	4.1
203.03320	0.6
205.04863	0.5
211.00526	0.2
213.01765	0.3
213.05411	0.4
218.05600	0.6
219.02878	0.7
219.06548	0.5
228.04245	0.3
229.01492	1.5
229.04951	9.5
231.02844	0.4
232.03658	0.3
239.03348	0.7
241.01122	0.2
246.05200	0.5
247.02344	1.7
247.06018	1.1
257.00775	3.4
257.04398	4.5
259.02252	0.3
274.04724	1.6
275.01871	2.9
275.05148	0.4
285.00238	2.7
285.03882	2.4
303.01321	19.6
303.04910	100.0
304.01761	0.6
304.05286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0135
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
65.03925	0.2
67.05503	0.6
68.99789	0.6
69.51796	1.2
76.70345	0.2
79.05497	0.3
80.68564	0.2
81.03434	0.3
81.07054	0.7
83.05006	0.2
89.03931	0.3
91.05493	1.2
94.06567	0.5
95.04984	0.5
95.08620	0.7
96.08117	0.3
98.21117	0.8
99.08097	0.5
103.05448	0.3
105.07094	0.2
105.39348	0.2
107.04931	0.5
109.02859	0.4
117.03387	0.6
119.04955	0.6
121.02872	0.8
121.06435	0.2
121.10133	0.2
122.06052	0.3
123.04491	0.4
124.07595	0.3
126.09126	0.4
127.03951	0.2
129.03378	0.4
131.04941	0.4
133.02782	0.3
135.04411	0.3
136.20506	0.2
137.02292	1.0
137.05963	1.1
141.09062	0.3
141.68109	0.2
145.02827	1.8
145.06479	0.2
145.10190	0.2
147.04401	1.5
150.05505	2.6
151.03891	0.4
152.07091	1.3
153.01842	1.7
153.06847	0.2
155.04936	0.2
157.02856	1.0
161.06009	0.2
162.05545	0.7
163.03960	1.2
163.07478	0.2
165.01823	0.5
165.07053	0.3
166.05054	0.4
167.03461	0.2
169.01361	0.7
173.02353	4.2
173.03842	0.2
173.06084	0.4
175.03903	1.3
178.05020	0.5
183.00800	0.5
183.02916	0.6
183.04398	0.3
183.08058	0.3
185.02406	1.0
189.01839	0.5
191.03386	1.9
191.58133	0.2
201.01833	10.3
201.05515	0.7
203.03395	1.8
207.02922	0.4
211.07594	0.3
212.09485	0.3
213.01816	1.4
217.01422	0.6
219.02904	1.7
228.08937	0.2
229.01328	8.3
229.04796	1.7
231.02876	1.9
241.01306	1.2
243.07657	0.2
243.09964	0.2
247.02393	7.9
247.06163	0.3
255.11369	0.7
257.00803	18.9
258.01270	0.2
259.02298	2.4
271.09979	0.5
272.11621	0.3
273.12524	0.3
274.04947	0.3
275.01859	14.6
285.00308	13.7
285.03674	0.7
285.12225	1.2
286.00925	0.6
303.01425	100.0
303.05026	18.8
303.13297	1.6
304.01724	1.3
320.04047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0137
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
56.96569	2.9
57.03416	0.3
58.08316	0.2
63.19425	0.3
64.22881	0.3
65.03936	0.3
69.03413	0.9
70.06571	0.3
70.60532	0.3
70.60870	0.7
73.02900	0.4
77.00922	0.3
81.03419	0.4
83.04947	0.3
83.06097	0.2
84.08092	0.2
84.96076	0.2
85.02895	1.4
89.03915	0.7
91.05467	1.1
95.04964	0.3
97.02884	1.4
98.20928	0.5
98.97594	1.9
101.00877	0.5
107.04958	0.5
109.02891	0.4
110.97591	0.5
113.00893	0.3
116.98630	1.5
117.03358	1.0
119.01918	1.6
119.04917	0.7
121.01620	0.4
123.04449	0.5
123.06336	0.5
127.03936	0.5
128.98602	0.9
129.03346	0.6
131.01947	1.2
133.01662	0.6
133.03542	0.3
134.99701	0.3
137.02988	0.3
137.05988	0.4
140.03413	0.4
140.07037	0.7
141.06529	0.4
143.01947	0.3
145.02692	1.9
146.99646	0.6
147.03284	0.4
147.04349	1.6
151.03905	0.8
153.01796	1.6
155.00169	0.7
155.01904	0.6
155.51537	0.2
156.98050	0.3
157.02753	0.5
157.03592	0.4
158.99629	0.4
159.05034	0.3
161.01274	0.3
161.02933	1.1
163.03911	1.2
169.03278	0.3
169.56279	0.3
170.05154	0.2
173.00894	0.3
173.02318	4.6
173.98587	0.3
174.99156	1.5
175.04025	0.8
177.00708	0.5
177.02179	0.3
180.98116	0.3
183.00781	0.7
183.02850	0.9
183.04997	0.3
185.02490	0.9
186.01523	0.4
191.03423	2.0
193.00174	2.1
201.01843	11.5
201.06036	0.8
202.02467	0.3
203.03432	1.5
207.02950	0.6
213.01808	1.3
213.05850	0.3
215.03984	0.3
217.01408	0.7
219.03122	2.0
221.05080	1.0
227.03900	0.3
229.01337	8.8
229.04840	0.4
231.02870	2.3
233.01094	0.5
237.02792	0.3
240.51260	0.4
241.01405	1.2
243.03462	0.3
245.05020	0.4
247.02390	8.8
250.02751	0.3
257.00815	20.6
258.01263	0.6
259.02390	2.7
259.06686	0.4
261.08041	0.3
261.37170	0.3
261.51843	0.5
273.04568	0.5
275.01868	16.9
276.02084	0.4
277.03317	0.3
285.00299	14.7
286.01010	0.7
303.01364	100.0
304.01733	2.5
321.01996	0.2
321.06775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0137
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
50.62309	0.3
54.36578	0.3
62.83967	0.3
67.01464	0.3
70.51125	1.1
84.12714	0.3
89.03918	0.5
89.83599	0.3
91.05491	0.9
97.02897	0.4
97.06538	0.4
98.21127	0.6
107.04958	0.4
109.02942	0.4
117.03392	1.1
119.04964	0.5
123.04430	0.7
129.03369	0.4
135.04428	0.5
137.02345	0.8
139.03871	0.7
145.02847	1.9
147.04431	1.2
149.05960	0.5
153.01860	0.7
157.02939	1.0
157.06665	0.3
162.05515	0.8
163.03922	1.2
165.01904	0.4
167.03441	1.4
168.00636	0.5
173.02365	4.3
175.03879	1.1
175.18282	0.3
177.01791	0.3
183.00806	0.6
183.02911	0.8
183.04362	0.4
184.33623	0.4
185.02361	0.9
189.01859	0.3
191.03448	2.3
201.01833	10.1
201.05547	0.4
203.03433	1.2
207.02928	0.5
213.01944	1.5
217.01405	0.9
219.02983	1.7
229.01335	7.9
229.05043	1.4
231.02861	1.9
239.03499	0.5
241.01382	1.2
247.02426	7.4
257.00827	18.4
257.04095	0.6
257.04709	0.8
257.08008	0.5
258.01169	0.4
259.02386	2.8
275.01880	15.3
285.00345	14.0
285.03931	1.6
285.12375	0.8
286.01035	0.7
303.01416	100.0
303.04987	10.7
303.13040	1.5
304.01743	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05512	1.9
56.26516	0.3
59.05006	2.9
60.14661	0.3
69.03431	3.3
69.07061	0.4
71.04977	0.5
71.20911	0.5
71.21251	0.4
73.06165	0.4
73.06554	5.5
79.05489	0.5
81.03407	0.8
83.04979	0.7
83.21777	0.3
84.06857	0.3
85.02898	1.2
87.04475	5.3
89.03925	0.5
91.05479	1.1
95.04945	0.5
95.07373	0.4
95.08581	0.6
96.93020	0.3
97.02900	1.6
97.06506	0.4
99.04440	0.9
101.06025	5.4
103.05413	0.4
105.06992	0.5
107.04954	0.4
111.04447	0.4
117.03366	1.0
123.04413	0.6
123.08105	0.4
127.03917	0.8
129.03345	0.7
133.06488	0.4
135.04445	0.6
137.05978	1.0
139.03864	0.3
141.09068	0.6
143.03455	0.7
145.02858	1.7
147.04433	1.9
151.03902	0.9
153.01898	0.7
153.06938	0.4
157.02834	0.8
163.03888	1.9
167.03400	3.9
173.02345	5.2
175.03926	1.3
182.21242	0.3
183.00697	0.4
183.02859	1.3
183.08090	0.6
185.02351	1.0
185.08215	0.3
189.01826	0.4
191.03407	2.0
201.01831	10.7
203.03377	1.2
211.00061	0.4
213.01859	0.9
215.10611	0.5
217.01279	0.7
219.02924	2.0
229.01328	7.3
231.02919	2.0
239.07156	0.4
241.01323	1.4
243.10147	0.7
247.02367	7.4
257.00824	17.7
259.02335	2.4
271.09656	0.7
275.01871	15.8
275.04959	0.7
276.02295	0.4
285.00311	14.3
285.13055	0.5
286.00964	0.5
303.01361	100.0
303.08243	3.3
303.14456	2.5
304.01639	1.3
321.02594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
57.03440	4.0
61.02950	2.9
62.61821	2.8
67.05518	4.1
69.03427	12.7
70.06586	9.8
70.62767	10.9
74.62294	2.8
79.05518	4.0
81.03424	6.8
81.07024	4.0
85.02909	48.0
92.05288	3.5
95.04973	3.7
97.02882	26.3
98.21381	3.9
99.04476	3.3
108.08118	10.6
109.02903	8.3
112.07626	6.3
127.03925	13.4
136.07565	9.9
138.65216	3.4
140.07071	33.2
145.02872	4.0
145.04889	7.2
147.04402	4.0
152.07126	9.6
156.35759	3.3
164.07072	10.8
167.03374	6.0
173.02415	4.5
175.00517	3.3
178.08652	9.4
182.08170	49.9
185.02133	3.9
201.01782	11.8
206.08110	22.2
224.98682	3.2
229.01398	7.9
247.02420	11.6
248.09222	5.7
257.00806	22.1
275.01999	10.6
285.00488	15.0
285.03555	3.4
286.04706	3.9
287.05188	18.2
302.07422	19.7
302.11243	18.6
303.01346	100.0
303.04974	21.3
303.08163	4.8
322.85522	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.7
61.02925	2.8
61.37187	1.3
62.15056	1.2
65.03934	2.4
67.05505	37.6
69.03433	17.9
69.07066	12.7
70.06592	6.1
70.19405	5.3
71.04993	2.9
73.02915	1.8
81.03424	7.7
81.07021	2.1
84.04499	1.9
85.02905	50.2
88.07600	1.9
91.03941	1.5
94.06568	1.6
95.04355	2.6
95.04965	53.1
97.02892	43.3
98.06061	1.9
98.20850	2.6
98.21465	2.5
99.04453	3.3
103.03952	3.6
109.02866	9.9
111.04460	1.5
112.07607	36.6
113.06016	2.8
122.06009	1.8
123.04388	2.0
124.07603	5.6
127.03911	9.1
130.08672	3.6
136.07568	4.4
140.07069	100.0
145.04994	2.9
152.07054	1.4
154.08624	7.7
156.82593	1.2
173.02341	2.8
178.08646	4.4
182.08128	75.7
201.01820	4.3
206.08141	13.1
208.09700	3.6
218.08119	4.4
229.01288	2.2
236.09248	3.2
247.02399	4.3
248.09206	9.1
257.00784	5.0
266.10309	2.1
275.01852	6.2
284.11139	1.6
285.00247	5.9
287.05072	8.1
302.00522	1.6
302.07419	6.6
302.12061	5.6
303.01337	34.3
303.04825	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	302.0872
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03940	0.3
55.01863	0.7
56.96566	1.6
57.03427	0.7
57.26737	0.2
61.02926	1.5
62.67031	0.2
69.03429	3.0
70.06586	1.2
70.17149	0.7
71.04983	0.6
73.02913	0.7
77.39089	0.2
78.03444	0.7
78.31284	0.2
81.03420	1.4
85.02424	0.4
85.02909	7.0
86.09741	0.2
87.04440	0.5
91.03941	0.4
92.60019	0.2
94.02908	0.3
94.65612	0.2
97.02903	2.8
98.06034	0.2
98.21105	0.4
98.97591	1.3
99.04449	0.6
109.02892	0.9
112.07628	0.4
116.98608	0.6
119.01930	0.2
122.02386	2.1
122.06041	0.7
127.03958	1.0
128.98627	0.2
130.08665	0.5
130.12268	0.4
131.01933	0.3
133.84343	0.2
134.06006	0.7
140.03429	100.0
140.06995	1.9
141.03758	0.6
145.04970	1.2
146.99690	0.5
149.04848	0.3
152.07054	1.0
153.01851	0.6
154.05103	0.3
156.03365	0.3
160.06262	0.2
174.04446	0.2
186.01620	0.4
186.04356	0.5
190.07536	0.3
201.01804	0.4
204.05399	0.3
214.07344	0.3
214.99792	0.2
226.07625	0.2
229.01398	0.3
232.08600	0.3
237.02750	0.2
247.02473	0.5
253.07518	0.4
257.00812	1.0
259.02365	0.3
273.08945	0.4
275.01910	0.8
284.11377	0.3
285.00244	0.5
286.04620	0.2
287.05069	1.4
290.66064	0.2
292.98492	0.2
297.06522	0.9
302.00470	0.3
302.07715	2.6
302.12305	0.4
303.01358	5.5
316.99307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73058	1.0
53.03952	1.3
57.03442	2.4
61.02930	2.6
65.03908	2.0
67.05169	1.7
67.05512	33.8
68.99808	1.3
69.03433	18.4
69.07076	8.7
70.06586	9.7
70.68775	3.7
71.04982	1.4
73.02912	1.9
80.70539	1.2
81.03430	5.2
84.08150	2.3
85.02911	38.1
86.58586	1.2
94.06586	1.2
95.04973	51.3
97.02893	35.2
98.06036	3.1
98.21310	2.0
99.04438	1.8
103.03951	3.5
109.02876	9.2
112.07613	33.6
113.06017	3.1
117.03377	2.2
122.06035	3.1
123.04455	2.4
124.07598	4.1
124.30006	1.2
127.03905	7.2
130.08649	3.9
136.07610	2.4
139.03824	1.0
140.07072	95.9
141.00334	1.2
145.02875	1.8
145.04973	2.4
147.04445	2.5
152.07016	1.7
154.08630	5.6
158.08163	1.7
163.03914	2.7
164.07132	1.6
166.04976	1.6
168.00537	1.6
173.02382	6.1
175.03850	1.6
178.08644	3.9
182.08144	59.6
186.01645	2.8
190.02631	1.2
191.03424	2.6
201.01857	11.8
203.03357	1.3
206.08127	11.3
208.09740	2.5
213.01930	1.6
214.05885	1.6
217.01294	1.2
218.08031	1.6
219.02911	3.3
228.61708	1.3
229.01347	10.4
231.02893	1.4
236.09160	3.8
246.01604	1.8
247.02393	8.1
248.09244	7.9
257.00830	16.6
259.02545	2.8
275.01895	14.0
284.11163	5.2
284.14279	1.1
285.00317	12.4
287.05069	14.3
289.46594	1.2
302.00632	7.8
302.07483	15.2
302.12234	10.4
303.01370	100.0
303.04562	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	302.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05380	0.4
69.03427	1.0
70.01870	1.0
70.02277	0.9
73.02924	0.7
79.27270	0.4
81.03443	0.4
81.04533	1.9
85.02919	1.2
87.04480	0.5
91.03951	0.4
94.41140	0.3
97.02874	0.7
98.20878	0.4
98.21395	0.5
98.97563	0.4
119.01894	0.4
122.06056	0.4
122.07138	0.9
123.48177	0.3
126.12999	0.4
127.03934	0.6
130.12424	0.4
131.01918	0.4
134.06030	0.7
138.05502	3.1
139.05859	1.0
140.03188	3.9
140.06021	1.0
140.07149	0.7
140.08165	4.2
141.06625	0.5
143.51875	0.4
152.07101	1.1
158.03006	0.5
158.99722	0.3
161.03015	0.5
173.03018	0.6
176.04065	2.3
176.13646	0.4
177.30125	0.3
185.04169	0.7
194.05161	0.6
198.98605	1.4
199.98662	2.9
200.03967	0.6
200.98207	0.5
209.42139	0.5
212.04152	0.5
213.03461	0.4
214.05687	0.4
217.99728	0.9
221.04994	0.9
230.05183	0.8
236.04021	0.4
242.05061	0.7
254.05061	0.5
265.36185	0.4
273.08969	0.6
284.06195	0.6
288.77164	0.4
294.95853	0.4
302.08490	100.0
303.01309	0.5
303.08719	1.0
320.08444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01869	5.3
55.05512	24.7
57.03436	14.5
57.07065	1.0
59.04995	2.1
65.03932	1.1
67.05505	48.0
69.03429	1.6
69.07079	6.5
69.24123	7.0
69.24533	2.1
70.89380	1.0
71.01337	1.6
71.05002	1.9
79.05058	1.5
79.05495	22.6
81.03400	3.3
81.07059	24.4
83.04984	8.5
83.08611	5.4
85.02911	6.2
85.06545	3.2
87.04462	1.7
91.05479	14.9
93.03405	1.0
93.07050	16.3
95.04984	5.3
95.05486	0.8
95.08615	9.9
97.02892	2.2
97.06543	6.7
97.10176	10.0
98.21266	4.2
99.00822	1.8
99.04453	1.9
103.03916	1.5
105.07040	7.1
107.04953	8.4
107.08603	13.9
109.06518	1.8
109.10157	22.2
111.04433	8.6
111.08079	2.8
112.01570	1.5
117.07043	5.7
119.04918	2.3
119.08575	8.7
121.02898	4.2
121.06494	2.4
121.10152	12.7
123.08059	2.8
123.11697	1.4
125.05969	2.3
125.09608	9.2
127.00250	2.6
129.05495	2.1
129.06993	1.9
131.08566	5.7
133.10129	4.9
135.08011	1.1
135.11682	7.1
137.09627	1.6
139.11197	1.7
140.01097	1.5
143.08615	1.5
143.10588	0.9
145.06519	1.2
145.10126	10.7
147.04366	0.9
147.08078	1.7
147.11670	1.3
149.09634	3.6
153.05453	2.9
153.12753	2.8
155.08519	2.3
155.10666	1.0
157.10158	1.3
160.05190	0.9
161.13290	1.9
163.11177	12.3
167.07101	1.4
168.00551	21.2
173.09589	6.4
173.11763	4.8
181.04977	1.4
181.12254	5.9
185.13295	3.2
186.01601	15.2
189.11188	1.0
191.10637	6.3
199.13228	1.8
209.11723	4.7
227.12831	3.5
229.14366	0.9
244.95151	1.2
245.13907	2.3
257.13889	9.6
258.05338	1.2
283.15475	2.2
286.04727	100.0
287.05057	3.7
301.07068	96.2
301.16458	31.7
301.21786	1.2
301.25150	1.1
302.07419	3.3
304.56525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01875	31.5
55.05256	2.6
55.05513	36.8
57.03439	52.9
57.07067	2.1
59.04993	1.2
60.02137	1.6
61.02936	2.4
63.58126	1.2
65.03946	1.7
67.05504	34.7
68.99787	1.4
69.03432	9.0
69.07069	12.9
71.01348	1.7
71.04992	4.6
71.56547	1.8
73.02921	18.7
77.91030	1.5
79.05498	31.2
81.03420	7.6
81.07054	27.1
82.04216	5.6
83.04988	21.1
83.08625	13.5
85.02896	1.9
85.06558	2.4
87.04479	2.3
91.05485	25.4
93.07050	21.0
94.07873	1.3
95.04979	17.9
95.08618	12.8
96.05771	1.3
97.02899	3.8
97.06525	13.7
97.10172	21.2
98.07315	11.0
99.04432	1.4
99.08107	2.7
101.06015	2.6
105.07037	18.4
107.04977	5.5
107.08591	19.6
107.09161	1.7
108.99280	1.2
109.02914	1.7
109.06538	4.9
109.10159	8.5
110.07310	1.2
111.04452	5.3
111.08102	5.2
115.05487	1.8
116.04719	41.4
117.06991	6.8
119.04974	3.4
119.08588	13.2
121.02893	3.4
121.06536	4.7
121.10159	7.8
123.04424	2.0
123.08097	7.7
123.11723	2.0
125.06014	1.5
125.09633	22.6
126.10397	2.3
128.06232	1.7
129.05481	100.0
129.07059	5.1
131.04951	2.9
131.08588	8.4
133.06448	1.6
133.10126	10.7
135.08110	5.1
135.11681	6.4
136.08839	1.3
137.06046	1.5
137.09651	3.0
139.03932	1.4
139.07616	1.5
141.07063	2.0
142.07816	1.5
143.07037	24.2
143.08684	1.7
145.06503	1.7
145.10136	7.6
146.10977	1.3
147.04453	2.3
147.08116	4.0
147.11682	7.3
149.06073	2.7
149.09636	3.3
151.07578	1.6
152.06277	2.1
153.07039	4.5
153.09169	3.3
153.12802	2.7
155.08513	1.4
157.08627	39.4
157.10139	5.3
159.11726	4.1
161.09680	2.1
163.04025	1.3
163.11203	6.3
164.11949	1.4
165.07008	4.2
165.12830	2.6
167.07082	1.8
167.08589	1.4
168.00545	15.1
169.06564	1.6
171.10213	12.3
171.11559	1.9
173.09760	1.7
173.13350	2.0
175.11201	6.0
181.05040	3.8
181.06604	5.8
181.12296	3.0
183.08101	1.3
185.11804	3.4
185.13289	1.6
186.01610	11.6
187.07568	2.3
187.11249	2.1
188.15256	1.4
189.05556	3.8
189.11234	26.0
189.12808	1.5
191.10741	2.5
193.12343	3.9
195.08102	2.2
197.06143	3.7
198.06850	3.9
199.11453	2.2
199.13380	6.1
199.14993	1.4
200.14018	8.8
201.16472	1.9
209.11780	3.6
210.12596	2.2
211.07697	1.8
213.09161	2.3
215.07121	1.8
226.06390	3.9
227.10730	1.8
227.12733	15.5
241.08682	4.9
245.04640	1.4
258.05234	1.4
269.08264	2.2
286.04718	68.1
287.04999	1.6
301.03564	3.4
301.07211	70.3
301.10815	20.8
301.16629	43.5
301.21524	12.3
301.25198	2.0
302.07520	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01622	1.7
55.01874	31.2
55.05514	28.3
57.03437	55.9
57.74337	1.4
58.17734	1.5
60.02139	1.7
60.06541	1.3
61.02916	3.5
67.05509	26.5
69.03441	7.4
69.07064	8.1
69.78521	1.4
70.49679	3.2
70.50022	1.9
71.01357	1.9
73.02620	1.4
73.02924	16.2
79.05498	28.1
81.03420	6.4
81.07059	22.7
82.04212	7.5
83.04980	17.5
83.08637	11.7
84.02091	1.7
85.06487	1.5
91.05486	16.0
93.07054	16.7
95.04980	12.9
95.08598	6.1
97.02910	2.6
97.06535	11.5
97.10178	18.7
98.07329	11.6
98.20816	2.4
98.21398	2.1
101.06007	4.0
105.07043	8.3
107.04958	4.2
107.08604	10.3
109.06488	2.1
109.10143	3.6
111.04439	2.2
111.08048	4.6
115.07557	1.8
116.04716	38.2
117.06995	3.0
119.08579	6.6
120.09324	1.9
121.02865	1.8
121.06537	1.7
121.10149	4.9
123.08058	7.1
125.09628	21.3
126.73486	1.5
127.07523	1.6
129.05486	100.0
129.06970	3.0
131.08563	5.7
133.10141	8.8
135.08086	4.1
135.11687	2.6
136.08823	1.8
137.09532	1.5
143.07054	20.5
145.10150	4.2
147.11699	6.9
149.09651	3.2
151.11269	2.3
153.09079	2.0
154.25568	2.1
157.08626	37.1
157.10075	5.6
163.11174	3.4
164.11937	2.4
168.00533	13.4
171.10188	11.2
175.11215	4.7
185.11740	5.8
186.01578	5.4
189.11237	22.9
193.12270	4.0
199.13307	8.8
200.14107	8.7
210.12677	1.6
220.37000	1.4
227.12793	11.7
255.15921	1.4
255.21196	2.5
286.04724	60.6
301.07074	51.9
301.16461	42.7
301.21594	2.7
309.26184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03932	0.3
53.35271	0.2
55.01874	0.6
57.03436	0.7
65.03946	0.9
67.05505	4.1
68.99800	0.9
69.03432	0.6
69.07060	0.7
69.38020	0.9
69.38454	1.0
70.29807	0.2
77.40353	0.2
79.05483	1.9
81.03417	0.3
81.07061	0.4
81.89190	0.2
83.01345	4.2
88.60915	0.2
91.05486	7.0
91.71054	0.2
93.07062	0.4
95.04976	3.0
95.08614	0.6
97.02904	1.6
97.06536	1.3
97.34521	0.2
98.21278	0.8
103.05492	0.2
105.04532	0.2
105.07011	0.4
107.04955	5.3
107.08570	0.3
108.22026	0.2
111.04453	0.4
116.40904	0.2
119.04949	18.3
119.08591	0.2
119.39343	0.2
121.02877	1.6
121.06499	1.0
121.10194	0.4
123.04456	2.2
125.06030	1.3
128.06200	0.2
131.08662	0.2
133.06454	0.3
133.10117	0.3
135.04411	0.5
135.08073	0.2
137.06021	0.5
139.03889	0.5
143.03372	0.3
147.04414	44.6
148.04774	0.3
149.05968	0.4
151.03883	0.3
151.07501	0.4
152.06223	0.3
153.05478	1.0
153.06987	0.8
157.05011	0.3
157.06497	0.3
161.05992	0.4
163.03894	1.7
163.11172	0.2
165.06996	0.7
167.03397	0.7
168.00587	1.2
169.06485	0.3
177.05435	0.4
179.03328	1.0
179.07039	0.9
181.04964	100.0
182.05315	0.7
183.08057	0.3
186.01611	0.7
189.05469	0.4
195.06401	0.3
195.07993	0.4
197.04396	0.3
198.06787	0.3
199.06021	7.7
199.07570	0.4
207.06497	0.8
209.05948	0.3
210.06935	0.3
212.04593	0.2
213.09122	0.3
215.06976	0.3
223.07585	0.3
226.06287	0.4
227.07021	0.7
241.08470	0.6
243.06570	0.3
245.08075	0.3
255.06503	0.3
259.09680	0.3
269.08011	0.5
283.09811	0.6
286.04742	5.5
286.07666	0.2
301.07065	17.5
301.10672	76.3
302.11218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01871	33.6
55.05267	1.9
55.05513	36.3
57.03437	51.0
57.07088	2.4
61.02911	2.1
63.73641	1.5
65.03927	3.7
67.05505	33.1
68.99807	2.0
69.03429	9.1
69.07070	15.6
69.89165	7.7
70.04205	2.0
71.01335	2.2
71.04987	4.0
72.70720	1.6
73.02920	15.0
73.22701	1.4
75.90271	1.5
79.05492	33.0
80.06261	2.1
81.03416	10.0
81.07061	29.7
82.04179	7.0
83.01335	2.4
83.04979	20.9
83.08613	14.1
85.02911	2.8
87.04460	2.9
91.05479	30.3
92.00378	1.7
93.07050	24.4
95.04963	15.5
95.08604	15.8
97.02856	3.0
97.06551	10.8
97.10177	21.6
98.07315	13.2
98.20910	3.1
98.21429	2.4
99.00803	2.2
101.05996	4.6
105.07033	18.3
107.04942	5.7
107.08590	19.8
109.02885	3.4
109.06506	5.6
109.10168	8.3
111.04443	4.7
111.08068	7.6
115.05438	2.9
116.04708	46.6
117.07010	5.5
119.04939	3.7
119.08588	13.3
121.02858	5.3
121.06535	4.6
121.10175	10.1
123.08067	8.8
123.11698	2.3
125.09638	24.0
127.00234	1.7
128.06209	1.7
129.05482	92.3
129.06992	5.6
130.07745	1.9
131.08594	9.9
133.10135	13.3
135.08037	5.3
135.11659	7.1
136.08824	2.3
137.02322	2.6
137.05983	3.3
137.09564	2.8
140.01093	2.2
143.07022	24.3
143.08173	2.2
143.08624	3.1
143.10693	1.6
145.06520	1.9
145.10086	5.6
147.04395	3.7
147.08044	7.7
147.11659	10.0
149.05978	2.5
149.09645	3.7
152.06207	4.0
153.06961	6.2
153.09077	3.1
155.08591	1.7
157.08589	42.0
157.10075	7.8
159.11711	3.8
161.06009	2.2
161.09676	2.6
161.13274	2.3
163.11205	4.2
165.06964	3.9
165.12721	1.9
167.07033	2.0
168.00545	19.6
171.10152	14.5
171.11650	4.1
173.09544	2.7
173.13278	3.1
175.11180	5.4
181.04898	5.2
181.06476	7.3
181.12286	3.6
183.08037	4.4
185.09700	2.5
185.11713	3.7
185.13191	1.7
186.01588	16.8
189.05461	3.7
189.11217	28.1
189.12885	2.2
191.10620	1.8
193.12335	3.7
195.07956	2.8
197.05981	2.8
198.06740	3.5
199.11345	2.9
199.13326	7.2
200.14067	11.2
209.05939	2.7
209.11688	5.0
210.12489	2.6
211.07579	2.6
213.09071	3.8
226.06200	5.6
227.07155	1.8
227.10703	2.7
227.12714	14.6
236.04428	1.6
241.08591	5.5
242.09450	1.6
255.21094	1.7
269.08212	2.1
283.20605	2.5
286.04715	100.0
287.05157	1.8
301.03543	3.7
301.07031	91.2
301.10654	30.5
301.16562	40.1
301.21304	9.8
301.24939	3.3
302.07446	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	301.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01863	1.6
56.96571	4.9
57.03435	3.3
61.02928	4.6
64.04531	1.0
68.68601	0.8
69.03433	9.8
69.26037	2.2
69.26442	6.7
71.04990	1.9
73.02923	3.2
80.19387	0.8
81.03413	4.8
81.74267	0.8
83.04992	0.9
85.02909	20.7
87.04468	2.3
89.05840	0.8
89.95728	0.7
91.03995	1.4
97.02900	9.8
97.58778	0.7
98.97578	8.2
99.04456	1.9
101.00896	1.8
109.02869	3.1
110.97627	1.2
116.98612	3.2
119.01919	3.1
122.02383	8.7
122.06036	1.8
127.03928	6.2
128.98639	1.3
131.01923	2.6
133.03548	0.9
134.99678	1.6
138.05522	4.9
139.05022	100.0
140.03435	56.7
140.07053	1.1
143.01852	1.6
145.03458	2.3
145.04956	2.6
146.99655	1.2
153.01843	1.2
154.14174	0.9
157.03445	2.3
161.01237	0.9
161.02948	2.5
161.26669	0.8
163.00731	0.8
168.00543	1.5
170.05206	0.9
171.01401	1.0
173.02946	1.6
175.04556	1.4
177.00769	1.5
177.04530	1.3
184.35750	0.9
185.03015	1.1
187.04503	1.0
197.06665	1.0
198.98595	1.8
199.04587	1.0
219.01881	1.8
219.57253	1.0
221.04970	1.1
245.05026	1.3
286.04721	7.5
301.02472	1.6
301.07132	7.0
301.10410	6.5
301.15851	1.9
303.01382	3.7
316.99316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1071
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03955	0.4
55.01880	0.9
55.05520	1.0
57.03438	0.9
59.67789	0.3
65.03960	0.8
67.05524	1.6
68.99817	0.4
69.03435	0.7
69.07073	0.6
69.42531	2.0
69.42931	0.6
71.04994	1.0
79.05476	2.1
81.07061	1.4
83.01331	1.5
83.05009	0.7
91.05489	8.7
93.07067	1.2
95.04970	2.8
95.08626	0.8
97.02914	2.2
97.06573	1.5
97.10167	0.4
98.20796	0.6
98.21445	0.6
105.07067	1.6
107.04955	5.3
107.08625	1.3
109.06531	0.5
109.10173	0.5
116.04729	0.3
118.34265	0.3
119.04951	20.3
119.08582	0.5
121.02866	1.0
121.06512	0.8
121.10216	0.5
122.50777	0.3
123.04436	2.7
123.08124	0.4
125.06010	1.8
125.09657	0.4
129.05547	0.7
131.08559	0.7
133.10107	1.2
135.04375	0.7
135.11732	0.6
137.06061	0.3
140.00952	0.3
145.10103	0.6
147.04420	53.6
148.04816	0.3
151.07565	0.5
153.05473	0.6
157.10240	0.3
159.11646	0.5
163.03912	0.5
163.11226	1.0
168.00562	2.3
171.11736	0.4
173.13219	0.3
179.03415	0.8
179.07050	1.1
181.04970	100.0
182.05325	0.7
186.01563	1.7
189.05476	0.7
191.14339	0.4
199.05968	1.3
207.06602	0.6
241.08606	0.4
259.09702	0.4
283.09692	0.5
283.20645	0.4
286.04745	11.0
301.07098	10.7
301.10663	85.9
301.21494	1.4
302.07626	0.3
302.11139	1.1
317.74481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.01430	0.5
55.01861	0.7
55.05512	1.0
57.03416	2.2
59.04974	0.6
60.11795	0.4
61.02927	4.1
62.20687	0.4
69.03431	8.2
70.06585	0.6
71.04977	0.8
71.42421	0.8
73.02894	2.1
78.03433	0.9
81.03408	3.4
83.04951	0.5
85.02908	17.9
85.03423	1.1
85.06516	0.9
87.04450	1.0
91.03951	1.1
95.06082	1.0
97.02905	6.2
98.20781	0.5
98.21340	0.7
99.04428	1.1
101.00903	1.1
102.36736	0.5
102.51180	0.6
109.02866	1.8
110.07150	2.0
111.07493	1.8
119.01929	3.1
122.02398	8.9
127.03922	3.2
131.01909	1.7
133.03468	0.7
138.05511	10.9
139.05006	100.0
139.05829	7.6
140.03429	64.9
141.03700	0.6
143.01875	0.6
145.03479	1.3
145.04979	2.5
155.01865	1.3
156.97478	5.4
157.03455	0.8
161.02945	0.8
168.00529	1.5
168.06317	0.5
171.05093	0.6
173.02954	1.5
174.98520	3.9
180.97455	3.3
185.02946	0.7
186.01418	0.6
189.02364	0.5
198.13210	0.7
198.98546	34.0
203.04051	1.4
210.98517	2.3
212.13931	1.3
213.00011	0.6
213.14249	4.1
216.99599	9.6
222.00063	0.9
228.69600	0.5
228.99617	6.9
229.01833	1.0
240.99667	1.6
247.00702	0.5
255.15280	1.2
259.14880	1.3
286.04758	3.7
301.01645	3.5
301.06857	1.3
301.10571	8.1
301.16006	6.6
302.08472	2.3
316.99173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
50.04093	0.8
53.03958	1.0
55.01870	2.1
55.05518	1.4
55.26134	0.9
56.96560	6.6
57.03445	3.7
57.62576	0.7
59.05001	1.8
61.02932	3.3
63.47219	0.7
67.05505	1.3
69.03435	10.4
69.32182	0.8
70.06594	2.6
71.04995	1.5
71.56538	0.8
73.02920	3.2
73.06578	1.0
81.03423	4.5
81.07078	1.1
83.04991	1.6
84.04494	1.0
84.08148	1.3
85.02911	17.7
85.06530	1.3
87.04465	2.0
90.63078	0.7
94.06589	2.3
95.08629	0.8
97.02890	9.4
98.21292	1.0
98.97594	9.7
99.04459	2.9
101.00950	0.9
101.02374	0.8
102.05567	1.1
107.04969	0.9
107.21400	0.8
109.02892	2.5
110.06026	2.1
110.07153	1.7
110.97567	1.4
112.07623	1.4
116.98614	5.2
119.01938	4.4
120.01990	1.1
120.04494	2.3
120.08124	11.9
123.03036	0.9
127.03948	4.8
128.98616	1.9
131.01953	2.0
133.03494	1.2
134.99704	2.2
136.06209	1.6
137.03004	0.9
137.06000	1.1
138.05505	100.0
138.09131	14.7
139.03963	1.6
139.04982	1.2
140.00391	0.8
140.05722	3.5
143.00218	1.4
143.01950	2.9
145.01781	0.9
145.03473	1.7
145.04980	1.9
146.99672	1.2
147.05797	1.3
149.02975	0.8
149.27350	0.9
150.05528	1.4
153.01807	4.8
154.02122	1.1
155.01822	1.1
155.04633	1.0
157.03552	1.3
158.06676	1.5
158.99669	1.7
160.06537	1.4
161.01315	1.2
161.03004	3.7
161.04718	0.9
161.06630	1.1
165.00916	0.8
167.38412	0.9
168.00554	1.5
168.05183	22.4
170.05229	1.7
171.05055	0.8
173.03027	1.3
173.06650	1.7
176.03398	1.0
176.07710	1.7
177.00847	1.8
177.04352	1.0
178.00864	1.2
179.02060	0.9
185.06479	0.9
186.01660	1.0
187.04567	1.5
188.07722	2.7
189.05995	1.1
190.06255	1.4
193.03194	7.1
198.98590	1.5
203.04083	1.0
203.07776	1.1
205.03679	0.8
206.16464	0.9
210.04552	0.9
212.07672	1.2
219.01846	3.3
219.07445	1.2
221.05104	1.5
224.07770	1.5
234.06071	1.0
235.01378	1.4
237.02823	4.2
253.02625	2.5
258.08463	1.1
259.03073	1.2
259.73813	0.8
275.09796	1.0
275.99490	2.2
286.04755	6.3
295.03513	3.4
300.06934	1.7
300.10770	29.2
300.14798	3.0
301.06757	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	301.0709
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01859	0.4
55.05500	0.4
59.04990	0.1
65.03931	0.4
67.05501	0.7
68.99789	0.8
69.03413	0.4
69.07063	0.5
71.04980	0.2
77.43739	0.1
79.05494	0.7
81.03400	0.3
81.07059	1.0
83.01338	1.3
83.04971	0.3
83.08604	0.3
85.02937	0.1
85.06570	0.2
91.05462	0.5
93.07037	0.5
95.04988	0.7
95.08607	0.9
97.02877	0.2
97.39448	0.1
103.05444	0.4
105.03373	0.8
105.04475	0.1
105.07014	0.3
107.04948	0.9
107.08601	0.3
109.02892	0.2
109.10161	0.8
111.04440	0.5
111.08067	0.2
111.11725	0.2
112.38813	0.1
115.05469	0.2
119.04939	0.3
119.08555	0.2
121.02872	6.2
121.03835	0.3
121.06474	0.3
121.10135	0.4
123.04422	1.1
123.11716	0.3
125.02367	0.5
127.03821	0.1
128.06213	0.4
129.06963	0.3
131.04958	0.2
131.08600	0.3
133.02863	0.7
133.10086	0.2
135.04416	0.6
135.11711	0.2
137.02354	0.2
137.05930	0.3
137.13280	0.2
139.03888	0.3
141.07007	0.2
143.08571	0.3
145.06490	0.3
145.10126	0.1
147.04428	1.2
149.05951	0.2
151.03897	2.1
151.07500	0.2
152.06233	0.3
153.07022	0.8
155.08554	0.2
157.06485	0.4
159.08078	0.2
161.05986	0.6
163.03850	0.2
165.01852	0.1
165.06992	0.6
167.03404	9.3
168.00531	0.9
168.05748	0.2
169.06454	0.3
170.07256	0.3
171.04391	0.4
171.08064	0.7
175.03947	0.2
177.05492	0.3
179.03407	4.3
181.05101	0.2
181.06453	1.1
182.07266	0.1
183.04410	0.1
183.08144	0.2
184.05174	0.4
185.05931	0.3
186.01605	0.6
189.05464	0.3
195.07968	0.2
197.04453	0.7
197.06058	0.3
198.06778	0.4
199.07527	1.0
208.03427	0.1
209.05998	0.4
211.07507	0.4
213.05426	0.2
213.09079	0.3
217.05038	0.1
217.08553	0.2
223.07492	0.2
225.05460	0.2
226.06256	0.5
227.07048	2.5
230.05527	0.1
237.05464	0.2
241.08588	0.5
243.06454	0.4
245.08060	0.9
251.02779	0.1
251.07118	0.2
254.05745	0.1
255.06532	1.4
257.08035	0.2
258.05228	0.3
265.25314	0.2
269.08145	0.2
272.06784	1.8
273.07657	0.7
283.05948	0.5
283.08997	0.2
285.03864	0.2
286.04721	4.1
286.07996	0.3
299.05557	1.1
301.07068	100.0
302.07379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84800	0.1
56.17009	0.1
69.03417	0.2
71.57230	0.2
72.46125	0.2
85.02911	0.6
85.06490	0.2
92.05011	1.0
93.05788	0.3
94.06567	3.2
95.06101	0.6
95.19928	0.2
96.04498	0.4
110.06046	2.1
110.07150	0.9
125.03167	0.2
138.05502	100.0
139.05804	0.8
152.08148	0.2
198.98473	1.0
212.13954	1.3
216.99559	0.3
244.59261	0.2
254.14893	0.4
258.14499	0.4
300.10773	29.0
300.15356	1.2
301.11014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05507	0.6
56.96556	0.7
57.03436	1.2
59.04992	0.3
61.02918	0.7
67.05485	0.3
68.15447	0.3
69.03426	1.6
70.06571	0.2
71.04992	0.3
71.37291	0.3
73.02929	1.2
73.06544	0.7
78.03441	0.3
81.03405	0.8
83.05001	0.4
84.04508	0.3
85.02898	3.2
85.06529	0.4
91.05507	0.3
92.04998	0.9
94.06580	2.8
95.06101	0.9
96.04525	0.3
97.02901	1.2
98.97581	1.0
99.04443	0.4
101.00880	0.5
109.02892	0.7
110.06038	2.0
110.07161	2.5
112.07635	0.6
113.00878	0.3
116.98608	0.4
119.01900	1.1
120.02047	0.3
121.01665	0.4
127.03914	1.0
130.08617	0.5
131.01913	0.9
133.03491	0.5
135.03226	0.3
137.03020	0.3
138.05502	100.0
139.03969	0.5
139.05020	1.1
139.05904	0.7
140.03448	0.8
143.01913	0.6
145.03476	0.5
145.04970	0.5
147.03192	0.3
153.01816	1.0
155.01930	0.5
156.97502	1.1
157.03520	0.5
158.06659	1.0
160.06342	0.4
161.01143	0.3
161.02971	0.4
161.05513	0.3
168.00810	0.3
170.06566	0.4
173.01439	0.3
173.02986	1.1
174.03072	0.3
174.04492	0.3
174.98578	0.8
175.04398	0.3
176.07697	0.4
180.97452	0.6
183.05035	0.5
185.02968	0.3
187.04631	0.3
188.07654	1.2
190.07538	0.4
192.05562	0.4
198.98549	6.4
199.04594	0.3
203.04063	0.3
206.05994	0.4
210.07605	0.6
210.98499	0.6
212.07713	0.9
212.13947	3.9
216.99564	1.7
224.07649	0.7
228.99602	1.1
230.08861	0.7
235.01227	0.5
253.02298	0.9
254.15099	1.5
258.14328	1.3
286.04858	0.6
295.03333	1.2
300.10785	30.4
300.15536	4.3
301.01727	0.7
301.07166	0.8
301.11099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89003	1.6
53.00312	17.8
53.03946	8.3
55.01875	10.0
55.05516	55.0
56.15279	1.7
56.59317	1.6
57.03186	2.7
57.03442	38.9
57.07078	2.3
59.05011	9.5
60.95413	1.8
65.03927	1.7
67.05505	30.8
69.03423	4.6
69.07052	6.5
69.24169	16.0
71.01343	4.6
77.59755	2.0
79.05497	24.4
81.03424	13.4
81.07060	51.1
83.04976	5.3
83.08622	32.1
85.02869	2.0
85.06532	4.0
91.05489	46.3
93.07048	34.5
95.04992	11.2
95.08607	7.3
97.02897	13.5
97.06508	6.7
98.21129	9.9
99.00823	71.1
99.04451	2.0
101.02392	2.3
103.05462	4.3
105.07037	45.5
107.04962	14.9
107.08611	17.6
108.70649	1.7
109.02889	31.2
109.06518	7.0
109.10169	16.5
111.04452	5.6
111.08089	10.6
115.03927	10.4
115.05492	4.3
117.07014	7.6
119.04877	2.3
119.07904	1.9
119.08595	22.1
121.02860	2.6
121.06542	18.2
121.10147	1.7
123.04415	4.1
123.08074	4.2
123.11698	5.5
127.03917	6.3
128.06210	3.3
131.08565	4.1
133.06490	4.7
133.10141	100.0
135.08060	4.3
135.11668	4.0
137.05956	5.2
137.09596	3.2
139.07552	10.2
143.08574	14.0
145.06462	2.9
146.07236	2.1
147.08012	3.4
151.11192	34.9
153.07001	2.5
159.11752	1.8
161.09641	49.6
163.11163	2.6
171.08072	12.2
179.10686	39.6
189.09120	38.4
197.11787	14.2
207.10182	16.9
225.11224	49.0
243.12282	7.9
299.14893	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	3-HYDROXY-3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.01889	0.2
55.05489	0.5
57.03431	0.3
57.07069	0.3
57.10128	0.2
67.05500	0.9
69.03423	0.2
69.07056	0.4
71.01331	0.1
71.04978	0.2
71.57471	0.2
79.05494	1.0
81.03410	0.5
81.07068	0.9
83.01339	1.0
83.04993	0.4
83.08622	0.3
85.06525	0.4
91.05480	1.6
93.07037	0.4
95.04947	0.4
95.08604	0.5
97.09184	0.2
97.10166	0.2
98.21171	0.2
105.07022	0.5
107.04925	0.7
107.08610	0.3
109.06531	0.2
109.10130	0.5
110.04781	0.2
111.04404	0.2
114.46299	0.2
119.04942	3.3
119.08549	0.4
121.02850	1.3
125.09578	0.2
129.06993	0.2
131.04886	0.2
131.08507	0.2
133.10120	0.6
135.04399	0.4
137.02327	0.4
137.05969	0.2
145.02858	0.8
145.10146	0.4
147.58763	0.2
149.05988	0.2
155.08415	0.1
159.08057	0.2
161.05989	0.3
161.09631	0.3
161.13278	0.2
163.03899	0.6
169.06522	0.3
171.11729	0.2
179.03404	1.4
181.04964	7.3
183.08072	0.2
197.04405	0.8
197.06021	0.5
225.09088	0.2
253.08696	0.5
255.20941	0.2
256.07300	0.4
257.08124	0.3
267.06540	0.2
267.10291	0.1
271.09610	0.7
283.06042	0.6
284.06903	1.0
297.07620	2.9
298.08200	0.3
299.09134	100.0
300.09393	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
50.17335	0.1
55.05481	0.3
57.03405	0.2
57.07036	0.1
65.03909	0.1
67.05459	0.5
68.99754	0.3
70.91432	0.3
79.05445	0.4
81.01590	0.1
81.03388	0.3
81.07044	0.2
91.05489	0.7
93.06996	0.4
95.04952	0.3
95.08575	0.3
97.15776	0.1
98.21097	0.1
104.89509	0.1
105.07065	0.5
106.57147	0.1
107.04930	0.2
107.08539	0.1
109.10101	0.1
110.03648	0.2
114.92384	0.1
115.05440	0.1
117.07022	0.8
118.04198	0.1
119.04939	0.8
119.08540	0.3
120.05686	0.1
120.57146	0.1
121.02128	0.1
121.02876	1.6
123.04378	0.2
123.08063	0.1
125.02299	0.3
131.08519	0.5
133.10101	0.4
133.91847	0.1
135.04384	0.3
137.05945	0.2
138.03133	1.0
139.03822	0.1
141.05417	0.2
145.02798	0.2
147.04379	0.2
147.11687	0.1
147.29074	0.1
149.02301	0.1
151.07559	0.1
153.00679	0.1
153.01833	1.2
153.04320	0.2
153.05470	3.2
159.11678	0.7
162.03098	0.1
163.03893	0.5
165.01802	0.4
165.05424	0.2
166.02661	0.9
167.03259	0.3
169.10083	0.1
177.05464	0.6
179.06960	0.1
181.04971	1.6
183.02884	0.1
183.07874	0.2
183.11919	0.1
184.03575	0.7
185.06137	0.1
187.14772	0.1
197.09622	0.1
199.07521	0.1
203.06915	0.1
210.06767	0.1
211.07571	0.2
213.05443	0.4
215.07025	0.2
217.08574	0.2
225.09157	0.1
227.07014	0.6
228.07906	0.6
229.04987	1.2
229.08566	0.4
238.06064	0.2
239.06982	0.4
241.04988	0.2
245.11674	0.3
253.19499	0.2
255.06509	2.6
256.07318	3.6
257.11652	0.3
266.05786	0.3
267.06503	1.5
271.13129	0.3
271.16959	0.1
283.06009	14.3
284.06778	19.9
285.07040	0.4
297.07742	0.7
298.04526	0.2
299.09134	100.0
300.09479	1.9
307.40762	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	299.0912
Annotation	3-HYDROXY-3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
53.03942	0.2
55.01873	0.2
55.05499	0.1
57.03450	0.2
57.07056	0.1
61.91649	0.1
65.03938	0.2
67.05513	0.4
68.99780	0.2
69.03424	0.1
69.07061	0.1
69.34258	0.7
78.57983	0.1
79.05499	0.6
79.54661	0.1
81.03424	0.5
81.07048	0.3
82.57436	0.1
83.01338	1.1
85.06542	0.1
91.05483	1.3
93.07065	0.2
95.04950	0.4
95.08592	0.3
97.02893	0.2
97.06494	0.1
98.20933	0.3
105.07043	0.1
107.04949	0.6
107.08613	0.2
109.02796	0.1
109.10153	0.2
111.04452	0.1
116.12546	0.1
119.04948	4.0
119.08556	0.1
121.02870	1.6
123.04317	0.1
125.05923	0.1
131.04916	0.2
133.10106	0.1
135.04407	0.6
137.02345	0.7
137.05937	0.1
137.09636	0.1
141.01871	0.1
143.03351	0.1
145.02878	0.7
145.10114	0.1
151.03914	0.3
153.01805	0.2
153.05481	0.2
161.06033	0.2
163.03923	0.7
166.02646	0.1
169.06451	0.3
175.07503	0.1
179.03381	1.8
179.08617	0.1
181.04964	7.4
182.07257	0.2
187.03906	0.1
197.04530	0.4
197.06000	0.5
197.09694	0.1
198.27892	0.1
206.07014	0.1
210.06729	0.1
211.07542	0.1
213.05530	0.1
225.09021	0.2
235.07602	0.1
239.10646	0.1
241.28175	0.1
253.08640	0.4
255.06596	0.2
256.07312	0.2
257.08096	0.3
261.07568	0.1
267.06549	0.1
267.10275	0.2
269.07962	0.2
271.09689	0.6
281.08099	0.2
283.06097	0.5
284.06708	1.2
297.07596	3.1
298.08206	0.3
299.09131	100.0
300.09482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.03939	0.3
61.01152	5.8
69.03428	0.8
71.56707	0.3
75.02704	2.8
79.01862	0.2
81.03423	1.6
82.03756	1.0
82.83250	0.2
83.00861	0.2
85.02885	0.3
91.69141	0.2
94.04060	0.3
97.02896	1.5
103.02161	0.4
109.02872	0.9
110.03218	0.3
119.03558	0.8
124.03888	0.2
127.03870	0.2
128.33633	0.2
131.39343	0.2
133.58524	0.2
136.06187	100.0
137.02365	0.4
137.04584	0.5
137.06567	0.3
144.03712	0.2
145.03198	1.6
153.01848	2.1
153.02998	0.3
154.02177	2.6
154.04973	0.2
163.04253	1.2
231.29921	0.2
254.13786	0.2
270.09253	0.2
298.06427	1.3
298.09726	4.0
300.55304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01851	1.5
55.05516	13.4
57.03431	5.0
59.05002	1.5
59.62477	1.5
61.02914	4.0
65.85015	1.4
65.94178	1.7
66.71637	1.5
69.03435	20.5
70.03220	6.9
71.04980	4.5
73.02921	3.5
73.06558	100.0
81.03425	21.6
82.03739	3.8
83.04983	10.9
85.02908	38.3
87.04470	1.8
91.07597	2.1
97.02896	63.0
98.20805	1.9
98.21326	2.5
98.97585	1.7
99.04446	5.8
101.06020	18.6
105.50800	1.4
108.79015	1.5
109.02866	14.4
110.03221	2.5
119.07064	10.5
124.03910	2.1
127.03924	40.5
136.06175	3.2
144.03773	2.0
145.04965	35.8
146.99632	1.5
152.05658	5.0
152.06996	3.0
153.01831	17.5
154.02167	18.6
163.06009	5.5
166.07257	6.6
167.05742	1.8
199.09616	12.0
227.09178	1.8
235.11734	2.0
238.72255	1.7
245.10225	20.2
263.11398	7.3
265.57101	1.6
298.06409	5.9
298.12762	1.8
300.06116	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	297.1697
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
50.71557	1.7
51.56195	1.6
53.03941	7.3
55.01867	9.9
55.05515	63.9
57.03437	42.5
57.07071	4.8
59.04997	2.2
61.85233	1.6
65.03951	2.3
67.05505	84.7
69.03427	15.4
69.07068	22.8
71.04992	3.7
79.05496	59.3
81.03416	18.6
81.07061	65.6
83.04976	17.5
83.08618	23.3
85.02892	7.6
85.06533	3.6
91.05480	37.1
93.07047	50.4
95.04971	33.7
95.08614	28.9
97.02863	2.3
97.06544	6.6
97.10175	36.4
98.21104	11.2
99.04510	3.4
105.07030	19.6
107.04975	11.6
107.08597	34.4
109.02880	2.7
109.06520	10.1
109.10150	14.2
111.08108	5.5
115.05460	3.8
117.07018	21.0
119.08614	8.6
121.06503	9.9
121.10136	12.6
123.04443	2.0
123.08064	4.0
124.67062	1.9
125.06013	2.8
125.09634	41.2
128.06190	1.8
129.07045	3.0
131.08569	17.4
133.10121	12.1
135.08032	9.6
135.11705	6.4
138.92020	1.7
143.08601	4.4
145.10121	5.7
149.09622	3.1
149.13257	8.3
151.11198	2.4
152.06416	1.9
153.09149	6.0
157.10074	2.8
159.11674	17.2
161.09662	2.0
169.10143	6.1
171.10190	4.1
171.11674	2.3
171.39932	1.8
177.12729	10.4
187.11165	5.9
189.11229	38.0
205.12289	5.8
208.88426	6.0
209.89232	2.6
223.13295	100.0
227.12772	3.8
250.89433	6.0
255.89990	3.7
273.90875	4.1
297.11783	2.9
297.17004	67.8
297.22046	3.6
297.25290	2.2
297.28360	2.2
300.19891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03947	5.1
54.49814	0.6
55.01875	2.0
55.05511	18.3
57.03441	1.3
57.07077	7.4
59.04987	1.9
67.05505	14.7
69.03436	7.4
69.07070	12.5
71.04991	12.7
71.08633	2.1
71.11070	1.0
71.11414	1.5
73.06562	1.0
79.01853	3.4
79.05487	8.7
81.03421	35.4
81.07061	26.4
83.04984	100.0
83.08621	7.1
85.02892	0.9
85.06548	10.6
87.04497	0.9
89.06030	0.8
91.05460	3.5
93.07049	13.9
95.04977	3.1
95.08610	25.1
97.02906	4.8
97.06545	2.4
97.10176	3.8
98.20932	0.7
99.04462	2.8
99.08096	2.2
105.07030	5.8
107.01328	2.1
107.04964	0.8
107.08603	14.4
109.02883	14.5
109.06520	2.0
109.10159	11.8
111.08081	4.7
111.11714	2.0
113.09637	1.2
117.07005	0.9
118.71403	0.7
119.08593	5.4
121.02901	1.3
121.10154	9.8
123.08099	1.4
123.11708	9.0
124.07581	1.1
125.02378	3.2
125.09635	4.0
127.03913	4.8
127.07530	0.9
127.11265	0.9
127.85194	0.6
128.36049	0.6
129.09125	1.8
131.08588	1.0
133.10152	2.4
135.04454	1.5
135.08083	0.9
135.11684	5.5
137.13260	3.4
138.05951	0.7
139.03870	1.0
139.11218	2.3
143.03406	5.1
143.08449	0.8
145.06572	0.9
145.10167	2.7
147.04457	1.2
147.11693	3.1
149.09712	0.8
149.13309	3.1
151.11234	1.4
151.43895	0.7
153.01836	66.7
153.12782	1.0
154.02180	1.3
155.07024	0.8
158.47607	0.6
159.11696	1.8
161.12166	0.8
161.13255	3.7
163.14838	9.1
165.07069	1.0
165.12819	1.5
171.02934	2.5
173.13318	1.6
175.14876	2.0
177.07022	1.5
177.16454	2.2
179.14349	1.7
181.05035	0.9
181.06635	0.8
181.15823	0.8
187.14856	2.5
189.16464	1.1
194.07312	2.2
201.16396	1.0
203.17915	0.8
205.06546	2.0
205.15938	2.0
209.09747	1.3
222.06602	1.4
223.17009	2.0
237.09178	5.1
243.21211	1.2
250.06316	1.4
261.22131	1.6
265.08640	7.3
279.23157	4.7
282.09030	0.9
297.05963	19.6
297.11121	11.7
297.18781	0.9
297.24307	11.8
297.27744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.65669	2.9
53.03932	7.3
54.68609	3.2
55.01624	3.2
55.01875	41.9
55.05262	4.2
55.05512	70.1
57.03426	10.4
57.07080	20.1
65.03957	3.8
67.05505	91.3
67.53954	2.9
67.68393	3.0
69.03407	10.1
69.07066	46.7
69.45364	23.7
71.04991	13.6
71.08618	23.3
73.06522	2.8
79.05495	67.5
81.03396	11.0
81.07059	100.0
83.04979	25.0
83.08614	38.8
85.06525	10.8
85.10178	5.6
91.05483	44.8
92.04700	2.9
93.07044	75.3
95.04977	25.9
95.08604	56.0
97.06542	20.8
97.10155	12.1
98.21446	5.6
99.08080	21.8
102.87108	3.4
105.07034	44.1
105.99408	3.4
107.04946	6.8
107.08585	38.6
109.06505	11.3
109.10168	27.8
111.08074	57.7
113.09624	5.2
117.07007	10.5
118.89561	3.3
119.08602	25.2
120.34585	3.1
121.10128	25.3
123.08074	5.6
123.11747	5.4
125.09621	14.0
129.06935	4.9
131.08566	11.8
133.06451	8.3
133.10144	38.7
135.08083	4.4
135.11650	24.9
137.06021	3.8
137.09621	7.9
139.11151	14.3
141.05420	3.9
143.08569	5.5
145.10118	8.4
147.11681	24.7
149.09619	8.9
149.13263	18.1
151.11165	19.3
157.10107	8.5
159.11729	8.2
161.13245	10.9
163.11194	5.4
163.14815	5.9
165.12700	17.4
167.03368	4.3
171.11662	3.4
173.11774	3.4
173.13316	4.0
175.11234	5.4
175.14825	6.5
177.12727	6.4
179.14313	6.5
181.04953	31.0
185.13229	3.8
189.11096	6.4
193.12199	8.7
193.15997	4.1
195.13844	7.7
207.13889	3.7
213.27873	3.1
221.15308	4.7
231.21048	5.3
241.19542	6.4
249.22098	7.4
259.20648	11.3
277.21649	91.7
295.22675	76.7
295.25787	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	296.1132
Annotation	487-60-5
Peak:m/z	Relative Intensity
53.03936	1.1
56.96571	4.1
69.03429	3.8
69.82529	5.5
70.98046	0.8
71.05000	1.1
73.02880	0.9
75.25144	0.9
79.01844	1.9
79.65852	0.9
81.03410	4.7
85.02909	4.7
86.03593	0.8
94.06557	1.2
95.04977	1.3
97.02890	2.4
98.21094	2.8
98.97572	2.4
99.04469	2.1
109.02885	3.9
111.31006	0.7
112.07608	1.3
116.98612	2.5
117.05492	1.5
121.96320	0.9
122.06051	2.4
123.06796	2.0
125.02326	1.1
127.03937	1.9
128.98608	0.8
134.06012	2.0
134.08118	1.4
136.06190	1.3
136.07584	1.9
137.06082	1.1
137.08351	2.7
138.05540	4.5
143.03398	1.5
147.06793	1.7
148.07619	2.3
150.05482	5.8
152.07025	3.2
153.01846	23.9
153.02847	0.9
153.07889	1.3
154.02229	1.5
160.07607	5.1
161.08345	1.9
162.05493	0.9
163.08752	1.1
164.07066	7.8
166.00966	1.2
166.08633	2.7
167.06950	1.4
168.06616	1.5
174.04382	2.0
174.09177	1.2
175.06287	1.1
176.07120	3.2
176.10612	1.7
177.07921	1.0
178.08728	4.3
186.04352	1.6
186.09164	2.7
188.07045	5.3
189.07841	2.7
190.08746	1.8
192.10158	1.5
193.07347	1.1
203.09406	3.0
204.05447	1.1
204.10214	6.7
206.08144	1.6
207.08887	2.1
213.00609	5.4
214.08665	2.7
222.11285	11.8
229.03593	1.0
231.01732	2.4
232.09669	11.1
234.11226	1.6
237.08710	0.9
249.99498	6.3
250.10771	33.0
254.98965	1.7
255.01743	4.5
263.99271	8.0
268.11813	2.5
272.99826	3.7
273.02838	2.8
278.10217	17.4
279.10089	0.9
291.03781	4.8
296.11304	100.0
297.06000	1.5
297.11465	2.2
297.14386	2.0
299.06082	1.1
314.16333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03951	6.1
55.01881	0.6
60.24097	0.3
69.03069	0.6
69.03432	9.0
70.69709	0.9
71.05006	1.7
72.34208	0.3
79.01855	5.2
81.03421	43.2
81.07059	0.6
83.04943	0.4
85.02917	1.3
97.02896	6.3
98.21169	0.3
99.04459	2.8
107.01304	2.2
109.02885	17.4
109.06515	0.5
125.02351	5.1
126.73564	0.4
127.03913	6.3
131.04921	0.5
131.59319	0.3
143.03394	7.5
153.01837	100.0
153.02878	4.6
154.02232	0.5
159.04433	0.6
170.02214	0.4
171.02905	4.4
171.06496	0.4
179.03534	0.5
181.01195	0.4
190.27202	0.3
191.03336	0.5
195.02954	0.4
205.04994	1.0
207.02843	0.5
223.02351	0.4
225.56113	0.3
233.04466	0.9
249.04105	0.3
261.03790	0.3
266.99908	0.4
267.04947	0.4
297.06042	26.9
306.78574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03945	6.0
55.01880	0.7
55.05507	0.4
69.03431	9.6
70.72932	0.4
70.73273	0.8
71.05010	1.5
71.12111	0.3
76.43339	0.3
79.01852	5.4
79.05479	0.5
81.03419	45.7
81.07055	0.3
83.08605	0.4
83.77332	0.3
85.02909	1.0
89.06019	0.4
97.02894	5.9
98.21190	0.5
99.04450	2.9
107.01328	2.1
109.02883	18.1
109.06507	0.6
122.17936	0.3
123.00830	0.4
125.02347	4.3
127.03922	6.7
134.17268	0.4
143.03395	8.7
151.03984	0.4
153.01833	100.0
153.02808	4.7
159.04442	0.4
171.02901	3.5
181.01297	0.7
187.03847	0.4
191.03438	0.5
205.05032	0.8
207.02884	0.9
233.04472	1.0
237.03905	0.5
297.06049	27.6
297.16373	0.6
312.44241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03957	3.4
55.01862	6.7
55.05511	25.1
57.03437	42.4
57.07064	9.2
65.03919	3.9
67.05507	84.4
69.03412	4.6
69.07060	29.3
70.12373	13.9
71.04993	23.5
71.08617	7.4
79.05501	59.0
81.07059	100.0
83.04980	6.0
83.08619	16.1
85.02883	3.8
85.06526	13.6
91.05488	35.9
93.07040	73.6
95.04943	9.8
95.08610	94.7
97.06509	9.8
97.10165	12.3
98.20843	7.7
99.08094	9.2
105.07030	32.7
107.08595	49.9
109.06507	10.3
109.10154	40.9
111.08067	6.2
113.06014	3.2
117.06988	8.9
119.08602	30.7
121.10145	59.3
123.08075	8.6
123.11713	8.8
125.09599	4.4
127.87783	3.1
129.07004	5.1
131.08569	16.4
133.10110	21.5
135.11697	42.2
137.05966	4.0
137.09607	6.1
139.11189	5.4
141.05479	4.3
141.12749	4.8
143.08513	5.0
145.10172	16.1
147.11674	14.8
149.09615	7.1
149.13237	20.3
151.11186	5.6
157.10143	9.1
159.11670	15.3
161.13229	10.2
163.11140	4.2
163.14813	8.0
165.12770	3.4
171.11684	7.3
173.11806	6.7
173.13242	11.6
175.14798	10.6
185.13257	10.4
187.13312	4.7
187.14850	36.1
191.14294	3.5
203.17873	3.7
205.15881	10.7
213.16293	6.5
221.18947	3.9
223.17007	3.9
241.19508	9.4
259.20615	28.6
277.18790	5.1
277.21622	70.8
279.23141	5.6
295.13165	3.5
295.23071	3.1
295.24185	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.67424	2.1
53.03943	6.9
55.01624	3.2
55.01876	54.1
55.05261	4.3
55.05515	65.9
57.03429	10.0
57.07075	18.0
58.67473	2.0
65.03945	5.1
67.05508	100.0
69.03432	5.7
69.07072	43.5
69.25555	16.2
69.25976	7.1
71.04993	10.5
71.08634	24.9
79.05496	73.8
81.03421	11.1
81.07061	98.7
82.07415	2.4
83.04987	25.7
83.08626	38.6
85.06542	9.7
85.10172	4.9
91.05485	54.8
93.07047	76.7
95.04971	28.1
95.08610	64.9
95.09226	3.0
96.82455	2.4
97.06546	17.7
97.10182	15.8
98.21273	11.7
99.08094	21.5
105.07034	35.9
107.04964	3.5
107.08598	43.8
109.06528	10.3
109.10162	39.4
111.08088	55.9
113.09631	8.3
115.65952	2.5
117.07027	8.8
119.08597	31.4
121.06529	5.0
121.10135	26.6
123.08095	7.6
123.11708	8.4
125.09642	14.0
129.07007	6.6
131.08542	12.6
133.06425	3.7
133.10132	36.5
135.11691	25.1
137.05997	3.5
137.09619	6.7
137.13257	4.1
139.11198	15.6
140.40372	2.4
141.05466	8.3
143.08606	2.8
145.10127	8.7
147.11705	23.9
149.09645	12.1
149.13260	19.9
151.11172	17.3
153.05418	4.1
153.12769	6.0
155.06938	2.5
157.10106	12.2
159.11697	8.9
161.09639	3.8
161.13228	16.2
163.11276	4.6
165.12767	20.1
167.03474	2.6
169.09889	2.2
171.11684	4.4
173.11760	8.5
173.13254	4.0
175.11232	9.2
175.14851	6.7
177.12735	3.2
179.14310	6.0
181.04997	25.1
185.13251	4.6
189.11237	5.4
193.12285	9.2
195.13794	7.2
207.13818	5.2
221.15356	2.6
231.21115	4.4
241.19600	5.8
249.22218	4.7
259.20627	13.4
277.21634	86.8
295.17468	3.0
295.22720	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01860	3.2
55.05512	21.8
57.03424	4.5
57.07070	5.2
67.05506	54.9
69.07059	12.8
70.18462	12.3
71.04980	4.2
71.08636	47.5
79.05495	38.6
81.03400	8.5
81.07057	55.2
83.04977	11.7
83.08611	8.9
84.54138	2.6
85.06539	5.4
90.95728	2.5
91.05490	32.8
93.06465	3.6
93.07052	53.0
93.12186	3.5
95.04948	9.2
95.08616	42.0
97.06525	8.5
97.10156	9.0
98.21159	6.4
99.07565	3.5
99.08107	42.0
99.61082	2.7
105.07046	15.8
107.04954	8.7
107.08600	36.1
109.06510	5.7
109.10174	24.2
119.08580	17.0
121.10156	29.5
123.11673	3.7
125.09670	3.4
131.08548	6.9
133.10098	10.0
135.11699	42.1
141.05482	3.2
145.10132	5.6
147.11702	5.5
149.13248	9.9
151.11180	15.3
153.12724	3.9
157.10146	3.4
159.11687	3.8
161.13255	12.7
163.11186	5.0
167.10663	4.2
177.12712	3.4
179.14317	100.0
189.12704	3.8
259.20422	3.8
277.21622	43.8
295.24136	8.2
314.98810	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	295.1905
Annotation	[6]-Gingerol
Peak:m/z	Relative Intensity
55.01873	0.6
55.05511	3.3
57.03437	0.4
57.07085	4.0
61.56998	0.3
67.05173	0.3
67.05511	5.4
68.99790	0.9
69.03426	0.6
69.07067	3.9
69.87540	1.8
71.04996	0.6
71.08633	3.2
76.17652	0.4
79.05497	1.5
81.07057	7.6
83.01337	2.8
83.04993	0.5
83.08630	0.8
85.02917	0.4
85.10171	1.4
91.05474	0.9
93.07056	1.0
95.04978	1.1
95.08044	0.5
95.08611	7.3
97.06512	0.8
97.10159	0.5
98.21129	1.0
105.07042	2.8
107.04975	0.6
109.06525	1.1
109.10165	0.6
111.04357	0.4
115.41951	0.3
116.51691	0.3
119.08554	0.8
123.04401	2.3
123.08070	1.4
124.87830	0.4
125.05999	2.3
129.25916	0.4
133.06491	5.4
133.10095	0.4
135.11642	0.4
137.05986	11.9
137.13257	1.2
139.03946	0.5
141.05472	4.4
141.12726	0.3
147.94586	0.4
151.03960	1.1
151.07552	10.2
153.05469	49.8
154.05840	0.5
155.14268	0.5
161.05988	4.2
161.13278	0.8
164.04689	0.7
165.05513	2.5
165.09201	0.5
167.03423	1.7
167.07011	2.2
169.04974	28.5
179.07042	17.9
179.14365	0.8
193.08688	0.8
197.08200	0.4
197.15433	0.6
277.18033	4.6
277.21005	0.6
295.19043	100.0
296.19373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51502	0.2
51.19625	0.2
51.48240	0.2
52.04092	0.2
53.03938	0.4
55.05494	0.7
55.11256	0.2
61.02918	0.3
63.30109	0.2
67.05521	0.3
68.04999	0.2
69.03417	0.3
69.49049	1.2
79.05053	0.3
79.05495	3.4
80.05008	0.8
80.05822	0.2
81.05801	4.3
81.07056	2.9
82.06572	0.4
84.08146	0.3
85.02921	0.2
91.05462	0.3
94.06568	0.9
95.04967	0.4
95.08612	0.4
96.04518	0.3
96.08133	17.5
98.20941	0.8
99.22562	0.2
102.18702	0.2
105.07059	0.2
106.06548	2.7
107.04954	0.6
108.08121	0.6
109.06529	0.6
112.07611	3.6
124.07595	100.0
125.07983	0.4
126.09167	1.0
131.08572	0.3
135.04437	0.3
136.07597	0.4
138.09146	0.3
152.07059	0.6
154.08643	3.1
156.06577	0.5
172.09691	3.3
206.11925	0.2
208.13487	0.2
220.67441	0.2
232.13397	0.8
259.14432	4.1
260.12775	1.1
277.15472	5.4
295.13284	0.2
295.16513	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	295.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05511	1.0
56.52946	0.2
61.02914	0.5
68.05038	0.3
69.03420	0.4
69.07053	0.4
69.92039	1.1
79.05491	3.0
80.05013	0.7
81.05798	3.8
81.07058	2.7
82.06581	0.4
83.04988	0.2
84.08143	0.6
85.02876	0.3
85.06544	0.3
93.07034	0.3
94.06565	0.8
95.04943	0.6
95.08595	0.3
96.04492	0.3
96.08133	16.2
98.20866	0.4
98.21415	0.2
105.07011	0.4
106.06551	2.6
107.04938	0.6
108.08104	0.5
109.02882	0.3
109.06516	1.1
112.07607	3.2
115.03938	0.2
123.08053	0.2
124.07594	100.0
125.07964	0.3
126.09152	1.5
135.04443	0.2
136.07600	0.3
137.05954	0.2
142.64842	0.2
150.18404	0.2
152.07094	0.5
154.08633	2.5
156.06606	0.5
172.09698	4.7
232.13322	0.6
235.14401	0.3
239.32594	0.2
242.11859	0.3
259.14468	3.4
260.12845	1.3
277.15469	4.1
283.37540	0.2
295.16586	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	295.1904
Annotation	[6]-Gingerol
Peak:m/z	Relative Intensity
52.30791	0.3
53.03939	0.5
55.01871	0.6
55.05503	0.9
57.03425	0.3
57.07076	1.0
59.65379	0.3
65.03922	0.4
67.05505	6.5
68.99791	2.9
69.07081	2.0
69.50500	2.2
71.08618	1.1
79.05492	1.5
81.03426	0.5
81.07056	5.7
89.37119	0.3
91.05464	1.6
93.07021	1.0
95.04969	5.3
95.08601	5.9
98.20762	0.6
98.21413	0.9
103.05486	0.5
105.07010	1.3
107.04942	1.3
109.06539	1.3
111.04452	0.8
115.05453	0.5
119.04971	3.0
121.06537	0.7
123.04433	25.0
123.08043	0.5
125.06018	0.8
133.06488	1.4
133.50656	0.3
136.05188	0.5
137.05977	4.5
137.13266	0.8
139.03897	8.4
139.07506	0.4
141.05455	6.2
147.04442	3.3
150.03111	0.6
151.03896	1.5
151.05035	0.6
151.07542	10.5
153.05469	100.0
154.02580	0.3
154.05789	0.6
155.06926	0.4
161.05983	0.9
163.03894	1.1
164.04749	1.8
165.05507	0.8
167.03381	0.6
167.07063	1.5
169.04985	5.8
177.05440	0.5
179.07039	27.7
193.08589	1.1
195.10146	0.7
240.91562	0.4
277.17950	2.0
295.19040	55.2
296.19345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.165
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
53.03948	0.8
55.01881	0.7
57.03444	2.6
57.07064	0.3
61.02932	1.8
69.03427	4.2
69.07065	0.4
69.10140	0.3
71.00899	0.4
71.01348	1.1
71.04985	1.0
73.02916	1.9
75.04462	0.6
77.71860	0.3
81.03407	1.0
81.07012	0.5
85.02907	3.4
87.04476	0.5
91.05473	0.7
92.19078	0.4
93.07040	0.6
95.08586	0.6
97.02892	1.2
98.21137	0.5
99.04439	0.9
102.05518	0.7
107.08610	0.4
109.02853	0.8
120.08102	2.7
121.01848	0.3
123.04389	0.6
124.07583	0.3
125.04894	0.4
127.03929	1.1
133.04962	1.2
136.07600	2.4
139.03912	0.5
140.04271	0.9
141.04373	0.9
142.04678	0.5
143.04958	0.4
145.04962	0.8
147.04416	0.5
148.24892	0.4
150.07744	1.0
154.08632	1.8
159.09283	0.8
160.09956	0.9
161.10741	69.3
163.03886	0.6
165.04323	0.4
173.10818	0.4
174.11510	0.4
177.09100	0.8
181.03680	0.4
191.03391	0.7
192.03607	0.4
193.03929	1.3
203.11717	0.3
207.01836	0.6
219.02902	0.8
220.03282	0.6
221.03369	2.9
249.02951	0.8
277.15665	0.4
278.79688	0.3
295.03488	2.5
295.16522	100.0
296.16779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.95200	0.3
57.07058	0.9
60.49730	0.3
63.19936	0.3
67.05529	0.5
69.07071	0.3
70.76190	0.8
71.08634	1.4
73.43908	0.3
79.05505	0.5
81.07054	1.2
86.08140	0.3
91.05500	0.8
93.07014	0.3
94.04193	2.2
96.69355	0.3
98.21136	0.3
107.04955	0.5
109.06539	0.3
122.03658	8.1
124.44250	0.3
137.05980	100.0
138.06300	0.6
141.12744	2.5
158.02599	0.3
158.15398	1.2
170.15466	0.4
178.24599	0.3
181.63550	0.2
210.11960	0.3
237.08640	0.3
259.33359	0.2
294.20911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
53.03955	0.5
55.01883	0.4
56.20328	0.4
57.03427	0.7
66.45557	0.4
67.01862	0.6
67.05499	0.7
68.99819	0.7
69.03427	2.2
71.01006	0.7
71.01357	7.8
71.57079	0.7
73.02921	0.5
78.26176	0.4
79.05498	0.7
81.03409	1.6
81.07062	0.9
83.04984	0.6
83.80927	0.4
85.02897	1.3
89.02390	3.1
91.05468	1.1
93.07037	0.5
95.04985	0.7
95.08589	0.5
96.08094	0.4
97.02895	1.3
99.04430	1.0
99.42435	0.4
105.07015	1.1
109.02876	1.4
110.06028	0.4
115.03947	0.6
117.06985	0.4
120.08131	0.6
123.04435	0.5
123.08070	0.7
124.07596	1.4
126.09162	1.2
127.03926	0.7
133.04977	0.7
136.07588	0.8
137.05930	0.5
138.09131	2.2
139.03905	0.8
140.07025	0.6
143.08667	0.5
145.04884	0.4
146.06039	0.5
147.04417	1.0
151.03935	1.8
151.07552	4.8
152.01051	0.4
152.07098	0.5
153.01823	2.7
161.05966	1.2
161.10748	3.5
163.03926	1.2
164.04700	2.8
167.03401	6.5
170.01974	0.5
175.07547	0.4
179.07060	0.6
189.05492	1.2
192.04178	31.4
193.04733	0.4
199.55875	0.4
203.07010	1.3
206.05785	4.3
207.06529	42.3
215.06932	0.7
217.04964	1.5
218.05754	2.0
220.03624	0.9
221.08110	0.5
231.06497	1.0
231.14856	0.4
232.07327	1.5
233.04581	0.5
233.08084	5.0
235.06013	21.4
244.03687	1.3
259.06058	0.8
259.14435	2.7
262.04742	4.1
275.69934	0.4
277.07074	23.1
277.15457	1.5
278.07248	0.6
295.08139	100.0
295.16550	6.0
296.08426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
56.05021	0.6
56.96566	0.4
57.03429	1.3
57.05836	0.4
58.06591	0.4
63.30745	0.4
67.01873	0.4
69.03432	5.5
69.07068	11.1
70.52855	1.2
71.04996	0.8
73.02939	0.8
78.59239	0.4
81.03412	2.6
85.02905	3.6
86.09707	100.0
97.02898	3.6
98.21124	0.6
98.97598	1.2
99.04464	1.1
100.65765	0.4
109.02872	2.6
116.98690	0.5
119.01964	0.7
127.03927	6.9
128.42267	0.4
128.98668	0.4
132.10205	7.1
132.11147	0.5
138.05508	2.8
139.75330	0.4
145.04936	1.9
153.01854	0.7
161.02980	0.6
170.05194	0.9
173.04469	1.8
191.05498	0.6
196.60278	0.4
211.00963	0.5
212.12907	0.6
230.13966	1.5
237.02892	0.5
241.44563	0.4
246.81229	0.4
248.14996	0.5
258.13416	3.3
276.14435	4.2
294.09918	0.8
294.15408	2.9
303.01453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03938	0.3
55.76208	0.2
57.07072	0.4
58.23323	0.2
58.29806	0.2
61.66864	0.2
65.03944	0.2
67.05489	0.8
69.07065	0.3
69.93110	0.7
69.93523	0.4
69.94681	0.2
71.08617	0.3
72.90248	0.2
79.05473	0.7
81.07050	1.9
91.05482	0.8
93.07018	0.4
94.04189	2.0
95.08598	0.4
105.07061	0.2
107.04945	0.5
109.06512	0.7
114.09149	0.2
122.03653	7.1
123.11710	1.5
133.10109	0.2
137.05975	100.0
138.06319	0.6
158.15416	1.8
170.15398	1.8
192.11031	0.2
238.11592	0.2
275.81461	0.2
276.20468	0.2
294.20831	0.9
315.57675	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	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.19600	1.0
53.03934	2.2
55.01855	4.6
55.05260	1.9
55.05510	27.5
57.03423	2.6
57.06816	1.2
57.07076	12.9
59.04987	1.6
65.03912	1.4
67.05505	33.1
69.03424	2.8
69.07066	44.8
71.03143	2.4
71.04982	4.6
71.08638	4.8
74.45425	1.0
75.33315	1.0
79.05489	20.0
81.03403	4.0
81.07055	100.0
83.04978	7.3
83.08614	26.7
83.61375	1.0
85.02845	1.0
85.06545	9.0
85.10176	2.2
91.05476	11.8
93.07044	24.8
95.04978	5.7
95.08604	74.5
96.08915	1.6
97.06547	5.3
97.10169	13.7
98.21236	1.4
98.32425	1.0
99.08099	6.0
101.06043	1.3
103.05460	4.1
105.07032	9.6
107.04942	2.5
107.07879	1.0
107.08597	29.1
109.06506	4.8
109.10155	46.2
111.08085	8.3
111.11046	1.1
111.11714	7.2
113.09669	1.1
117.07000	2.9
119.08576	8.2
121.06495	2.1
121.10144	17.2
123.08071	2.5
123.11716	28.8
125.09608	4.5
125.13250	1.7
127.11211	1.0
131.04929	13.7
131.08557	4.5
133.10115	6.5
135.08070	2.5
135.11693	9.7
137.09598	2.9
137.13255	14.6
139.11255	2.2
139.32167	0.9
143.08575	1.1
145.06439	1.6
145.10132	4.8
147.08035	1.1
147.11661	3.9
149.02374	1.4
149.09593	4.0
149.13251	15.2
151.07541	1.1
151.11139	2.6
151.14827	6.4
153.01637	1.1
153.12755	3.1
155.14392	1.3
159.11685	2.3
161.13269	2.9
163.11185	2.9
163.14764	5.4
165.16437	2.6
167.14349	5.4
169.10094	1.5
173.13202	2.4
175.11179	1.5
175.14798	1.3
177.16382	3.7
179.17955	2.2
187.11264	1.4
189.11217	1.4
191.17982	2.4
193.19482	1.4
194.05048	1.0
201.16342	1.0
205.19527	1.7
207.20946	1.2
215.14336	1.6
219.21149	1.9
221.08119	1.3
237.22131	1.1
239.17946	2.5
247.20476	1.7
249.25867	1.2
257.18973	3.1
270.65222	1.2
271.80585	1.1
274.04550	1.0
275.20065	18.8
275.27448	5.5
276.20450	1.0
293.08023	1.4
293.14230	1.1
293.17764	1.9
293.21082	5.7
293.24911	1.9
293.28323	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.11068	0.9
53.03928	3.5
55.01859	2.6
55.05513	32.0
56.96545	1.0
57.03421	1.4
57.07078	22.5
59.04979	1.8
65.03918	1.6
67.05506	37.9
67.05869	1.9
69.03433	4.4
69.07072	65.5
69.44873	2.2
69.45290	5.5
71.04991	4.6
71.08635	8.7
73.06546	1.2
79.05496	14.1
81.03413	4.6
81.07059	100.0
83.04971	2.9
83.08619	41.7
84.83386	0.9
85.06545	15.0
85.10177	3.4
91.05476	6.8
93.06466	1.7
93.07049	32.8
95.04974	1.7
95.08609	99.1
97.06529	8.0
97.10163	19.9
98.21069	3.6
99.08092	8.8
103.05473	5.6
105.07024	5.0
107.04942	1.1
107.08599	41.9
109.02872	1.4
109.06505	2.6
109.10159	69.9
111.08080	10.8
111.11723	9.9
113.09607	2.8
115.91220	0.9
117.07001	0.9
119.08597	3.7
121.06519	0.9
121.09311	1.6
121.10151	24.7
123.08087	1.1
123.11715	49.9
125.09641	6.7
125.13263	3.6
127.03896	1.1
131.04930	16.1
131.08607	1.9
132.05292	0.9
133.10132	1.8
135.08069	0.9
135.11720	10.8
137.09583	1.7
137.13258	25.8
139.11148	4.1
139.14795	1.7
141.12732	1.2
142.07826	0.9
145.10074	1.7
147.11729	1.5
149.02386	1.2
149.09624	2.0
149.13264	31.8
150.48274	1.0
151.14819	5.5
153.01820	2.3
153.12733	4.3
159.11728	0.8
162.16179	0.9
163.11232	1.6
163.14828	8.5
165.16417	4.5
167.14313	10.8
173.13287	1.5
177.16406	2.8
179.17940	3.9
183.60150	0.9
185.67572	0.9
191.17978	3.5
193.19551	1.7
205.19518	1.9
219.21106	2.9
237.22118	1.4
239.18007	0.9
249.25771	3.5
257.18826	1.2
275.16837	1.1
275.20010	2.2
275.27344	9.5
293.07858	1.3
293.11078	1.0
293.14340	1.0
293.17526	1.6
293.21143	2.9
293.28366	52.3
294.28558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	18-Nor-8(17),13E-labdadiene-4alpha,15-diol
Peak:m/z	Relative Intensity
55.01860	3.0
55.05519	18.8
57.03443	43.5
57.07069	10.3
64.32694	2.8
65.03941	2.9
67.05506	71.1
68.99798	2.6
69.07067	18.8
69.74806	17.9
71.04999	42.2
71.08611	3.0
76.23968	3.0
79.05501	38.3
81.07062	100.0
83.04987	5.9
83.08633	19.4
85.06552	15.0
91.05487	25.5
93.07050	56.3
95.04932	3.1
95.08611	86.1
97.06550	9.0
97.10167	11.1
98.21051	9.2
99.08094	12.3
105.07025	28.6
107.08595	44.5
109.06496	3.7
109.10163	38.4
110.61266	2.7
110.64757	2.8
111.08092	10.5
113.09672	4.3
117.07022	4.9
119.08591	21.6
121.10147	49.0
123.11674	7.6
125.09641	7.0
127.03917	3.6
131.08611	8.0
133.10133	19.2
135.04340	3.0
135.11693	35.5
137.13301	3.8
139.03943	3.0
139.11165	6.2
141.05441	3.9
145.10146	3.5
147.11687	23.9
149.09576	3.2
149.13281	25.7
151.11220	3.9
153.01833	31.9
153.05518	5.4
159.11696	4.7
161.13271	23.0
163.14825	7.4
165.12773	3.6
167.03403	27.2
173.13237	3.7
175.14861	13.0
181.04985	4.9
187.14806	5.5
189.16406	10.6
191.07068	2.9
191.10612	2.9
201.16469	4.4
203.17915	7.2
209.11745	4.4
217.19484	2.5
221.08157	5.5
233.11736	3.8
237.11259	8.6
257.22672	9.1
275.20328	5.3
275.23727	29.4
293.17944	13.8
293.21115	12.0
293.24588	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	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.01605	1.0
53.03939	2.2
53.87261	0.8
55.01866	6.5
55.05512	28.9
57.03428	1.9
57.07076	17.3
67.01857	3.6
67.05179	1.0
67.05508	16.1
68.99431	1.7
68.99794	28.5
69.03433	2.4
69.07069	43.0
69.68204	5.3
71.01356	1.0
71.04987	2.5
71.08276	1.0
71.08630	6.8
79.05502	12.9
81.03415	2.3
81.07060	22.4
83.01337	1.9
83.04975	5.9
83.08622	17.9
85.06540	1.7
85.10177	2.4
91.05479	5.5
93.07047	19.3
93.95972	0.9
95.04952	3.7
95.08616	17.3
97.02309	1.0
97.02877	5.4
97.06531	11.3
97.10168	10.7
98.20738	1.9
99.08053	1.4
105.06999	2.3
107.04967	3.7
107.08611	11.8
109.06500	2.9
109.10152	10.4
111.00812	55.8
111.04447	11.5
111.08080	4.2
111.11718	5.2
117.07024	2.2
119.08559	4.1
121.06487	3.7
121.10139	13.1
123.08084	1.7
123.11710	4.0
125.05984	5.5
125.09621	3.0
126.03146	2.3
127.03917	14.6
131.08505	1.3
133.10121	2.6
135.08029	4.0
135.11720	11.8
137.05984	1.5
137.09610	1.6
139.03908	27.3
139.07549	4.1
139.11183	4.1
145.10133	2.0
147.08017	1.3
147.11697	1.8
149.05968	1.5
149.09624	3.3
149.13242	5.2
151.07532	3.0
153.01852	2.1
153.05469	3.3
153.09116	2.4
153.12755	1.7
155.07028	4.5
157.08611	1.6
159.11725	2.9
161.13254	1.1
163.07497	1.8
163.11172	3.5
163.14833	1.8
167.03381	1.7
167.07065	11.7
167.10674	1.5
167.14313	1.9
171.10126	1.8
173.13318	1.8
177.05452	1.3
177.08986	1.7
177.12764	1.4
181.04965	100.0
181.12265	2.0
183.06508	1.5
185.11737	1.8
189.12686	1.1
191.07004	2.4
191.10719	1.5
191.17940	3.4
193.08636	1.7
195.10173	8.3
195.13739	2.2
199.13242	1.3
205.19542	1.3
209.08101	3.2
209.11725	13.8
209.15181	1.7
213.14903	1.1
215.17963	1.8
221.08162	1.7
223.13301	11.8
233.15192	1.1
233.19003	3.0
237.11151	2.7
237.14859	15.6
247.20557	1.1
251.16496	7.0
251.20094	8.0
257.22650	1.5
262.65289	1.0
269.21133	2.1
275.16565	1.4
275.20120	2.6
275.26978	1.4
293.14471	1.3
293.17490	21.8
293.21082	53.3
293.28149	2.5
301.86169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03949	29.6
53.08448	4.4
55.01865	19.8
55.05516	21.8
57.07075	7.5
61.60723	5.2
64.49710	4.3
67.05505	57.4
69.07078	48.5
70.18191	13.5
76.00513	4.8
79.05502	44.5
81.03423	59.0
81.07060	100.0
83.04980	12.3
83.08626	8.8
85.06544	5.5
85.57099	4.1
86.28147	4.9
91.05480	64.3
93.07046	44.0
95.01328	15.3
95.04972	31.8
95.08610	51.8
97.06528	34.1
98.21166	11.0
105.07034	95.8
107.04968	25.4
107.08607	26.5
109.06509	9.9
109.10171	7.0
117.07005	20.7
119.08589	46.0
121.06503	6.7
121.10162	11.1
123.08066	16.7
131.08618	24.4
133.10120	52.3
135.08070	9.8
135.11739	11.1
137.09641	4.8
141.05460	4.6
145.06502	6.0
145.10129	18.6
147.11708	25.3
149.09618	5.8
149.13303	7.3
151.11186	6.9
159.11789	22.5
163.11125	6.1
165.09198	6.3
169.10159	7.7
173.09601	6.1
177.12814	8.6
179.14355	21.4
181.04993	5.6
187.11212	7.4
195.13724	8.4
209.11736	7.2
237.11261	12.1
257.18997	7.9
275.20053	68.5
284.81161	5.3
293.20959	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03956	5.8
55.01867	6.0
55.05516	24.9
57.03440	32.0
57.07067	9.8
59.67267	2.8
65.03931	4.2
67.05168	4.6
67.05507	56.0
69.07079	20.5
70.58508	7.0
71.04984	5.3
79.05493	43.7
79.05920	1.7
79.90630	2.5
81.03406	7.1
81.07053	54.1
83.04961	8.0
83.08618	13.7
85.06520	8.4
91.04958	4.2
91.05481	54.0
93.07047	51.5
95.04977	22.7
95.08611	38.7
97.06505	9.8
97.10139	3.0
97.58417	2.4
98.21241	4.5
99.04453	5.2
105.07036	43.6
107.04937	7.4
107.08601	28.5
109.06529	19.7
109.10178	14.6
111.04434	11.9
111.08060	4.8
117.07043	17.1
119.08579	38.6
121.06495	8.0
121.10150	20.4
123.04412	3.3
123.08047	9.6
123.11672	3.6
125.09618	4.3
131.08578	22.9
133.10138	35.9
135.08000	8.1
135.11679	11.4
137.09615	10.0
139.11174	3.8
145.10150	14.8
147.11679	17.5
149.09625	8.8
149.13251	5.6
151.11252	4.5
153.01799	2.7
153.05450	5.0
157.10124	3.8
159.11656	12.3
161.13284	5.4
163.11180	8.0
165.09113	3.0
167.03346	4.0
167.10683	3.2
171.11661	5.2
173.13246	6.7
181.04977	7.4
183.05545	4.3
185.13268	4.3
191.10683	4.4
201.16360	6.3
203.14221	5.5
209.11716	8.9
215.14381	2.8
219.17455	100.0
219.19627	4.9
221.07922	4.2
229.19505	3.5
237.11223	15.2
247.20677	4.7
257.18994	7.4
265.21707	2.8
275.20065	67.0
293.17627	4.0
293.21085	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.44018	1.6
53.03943	5.2
55.01880	8.0
55.05513	23.2
56.97126	1.7
57.03429	4.6
57.07067	5.5
67.05165	3.3
67.05506	45.0
69.03435	3.9
69.07066	26.9
69.93580	4.3
69.93980	2.6
71.04990	4.6
79.05495	43.5
81.03428	6.3
81.07059	100.0
83.05002	7.9
83.08620	10.4
85.06544	4.4
91.05481	31.0
92.55820	1.5
92.97564	1.8
93.07053	33.8
95.04971	18.8
95.08604	31.8
97.06529	6.3
97.10172	5.8
98.21146	4.4
99.08073	2.8
101.06036	2.1
105.07030	37.7
107.04941	8.5
107.08599	24.7
109.06516	25.8
109.10153	23.8
109.78168	1.6
111.08079	4.5
115.07572	2.5
117.07026	9.8
119.08582	39.5
121.06503	4.6
121.10152	13.7
122.58763	1.5
123.08060	9.6
123.11714	4.6
125.09647	4.9
129.07011	2.9
131.08568	14.8
133.06564	1.9
133.10127	28.8
135.08046	8.7
135.11711	7.1
137.09601	10.3
141.05437	3.3
141.06969	2.1
143.08578	1.7
145.10115	12.1
147.11693	16.9
149.09578	11.7
149.13295	4.0
151.11176	10.9
153.01825	7.4
157.10094	4.4
159.11725	7.9
161.09619	3.4
161.13300	4.0
163.07619	1.9
163.11185	8.1
165.12802	3.3
171.11592	2.1
173.13281	5.9
175.11276	3.7
177.12842	2.1
181.05009	2.4
187.11165	2.3
191.10689	3.3
193.12160	2.2
197.07349	4.7
201.12791	2.7
209.11760	1.8
215.14305	1.6
219.03001	2.4
219.17519	2.3
221.08081	2.8
221.34251	1.7
223.23434	1.5
229.19489	4.1
233.19167	1.8
237.11322	2.2
239.17897	3.6
247.20595	7.8
251.12820	2.9
257.18970	9.9
275.20062	62.6
293.14243	1.9
293.21097	41.0
294.10141	1.9
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	12-OPDA
Peak:m/z	Relative Intensity
51.55368	0.7
52.90298	0.7
53.03948	1.4
55.01879	3.2
55.05513	12.1
57.03436	1.5
57.07071	1.6
65.03929	1.0
67.05505	23.9
69.03417	1.7
69.07069	22.3
71.04993	2.0
77.03903	0.7
79.05057	1.2
79.05492	16.5
81.03415	1.1
81.06571	1.5
81.07056	30.4
83.04975	7.2
83.08606	4.2
85.06529	1.7
91.05479	18.3
93.06464	1.4
93.07046	22.6
95.04973	8.9
95.08605	18.5
97.06529	3.9
97.10166	1.9
100.01226	0.6
102.03716	0.6
102.33434	0.7
105.07028	22.2
107.04972	7.0
107.08588	13.3
109.06526	11.1
109.10148	9.1
111.08095	1.6
117.07033	6.2
118.26604	0.6
119.08590	12.2
121.06499	8.9
121.10155	8.8
123.04455	0.7
123.08079	5.1
123.11706	2.6
125.09618	1.1
129.07016	2.1
131.08565	13.7
133.06494	2.7
133.10133	18.3
135.08067	4.3
135.11700	4.6
137.09631	2.5
141.05380	1.3
141.07040	0.8
143.08557	2.3
145.06470	1.6
145.10139	9.9
147.08064	2.7
147.11694	11.2
149.09630	4.9
149.13245	2.0
151.11201	7.0
155.08534	1.8
156.63618	0.6
157.10117	3.6
159.08052	1.6
159.11694	6.6
161.09612	2.8
161.13239	2.6
163.11165	4.7
165.12732	0.9
168.09355	0.9
169.10161	1.2
171.11703	2.0
173.09612	2.8
173.13261	5.3
175.11203	1.8
175.14763	0.6
177.12761	2.4
183.11655	2.4
185.13171	0.9
187.11160	2.2
187.14862	1.2
189.12767	1.3
191.14288	3.0
192.14209	0.6
197.13246	1.6
199.14742	1.0
201.12782	3.3
201.16479	0.8
207.13853	3.5
213.16461	0.9
215.14349	1.2
215.18025	1.7
219.13831	4.6
229.19490	2.3
231.17641	1.1
233.15317	1.3
233.18933	0.7
237.14828	0.7
239.18002	3.4
247.20541	4.3
257.19006	15.2
257.94330	0.9
265.94394	0.8
275.20065	100.0
276.20441	1.4
293.21094	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	6.1
55.01870	10.4
55.05510	26.1
57.03429	3.6
57.07066	5.1
59.47466	1.6
63.64363	1.5
65.03927	2.2
67.05506	38.5
69.03430	2.7
69.07074	21.3
71.04993	3.0
71.57897	2.6
72.61250	1.4
73.81615	1.6
76.67661	1.4
79.05493	42.0
81.03434	13.5
81.07059	100.0
83.04974	7.2
83.08608	15.9
85.06567	2.9
90.20844	1.5
91.05479	26.9
91.06013	2.8
93.07043	27.2
95.04982	17.3
95.08607	30.2
97.06520	11.0
97.10169	5.2
98.91685	1.6
99.08123	2.6
103.05515	2.5
105.07033	27.6
107.04970	9.7
107.08616	16.5
109.06521	41.8
109.10179	10.1
111.04475	2.9
111.08103	6.4
117.07025	6.7
119.08589	24.5
121.06513	6.2
121.10148	17.9
123.04430	1.8
123.08061	12.6
123.11707	5.5
125.09598	5.4
127.03935	4.4
129.06981	3.2
131.08562	11.5
133.06525	2.0
133.10130	17.3
135.08064	6.7
135.11674	6.8
137.09628	5.2
141.07013	1.7
143.08615	4.1
145.10112	14.0
147.08037	3.6
147.11684	16.3
149.09607	12.8
149.13271	6.3
151.11220	3.2
153.01833	24.2
157.10120	4.2
159.08031	2.7
159.11707	9.2
161.09660	2.0
161.13278	4.4
163.11169	9.3
165.12750	5.7
167.03508	3.1
169.10167	2.2
171.11737	3.2
173.09608	4.2
173.13281	4.4
175.11234	5.6
177.12698	3.7
181.04900	3.7
187.11287	2.5
187.14847	5.0
191.03477	2.2
191.10654	1.9
193.12389	2.2
197.13257	2.1
205.12029	1.6
209.11766	2.0
215.14359	17.2
219.02901	1.9
219.13979	1.9
221.08058	5.0
223.13344	2.7
229.19531	3.1
233.15364	5.5
247.20619	4.5
257.19061	9.4
263.50150	1.7
275.20071	64.2
293.14304	2.1
293.17575	6.9
293.21066	39.8
293.28186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.34573	1.3
52.73100	1.2
53.03947	4.2
53.31821	1.2
55.01878	9.3
55.05261	1.7
55.05513	30.0
57.03431	2.8
57.07072	2.6
65.03927	1.7
67.05509	21.9
69.03441	2.3
69.07076	15.0
71.04996	2.9
71.57158	2.3
71.57557	1.5
79.05495	51.8
81.03413	4.2
81.07056	30.9
83.04995	6.7
83.08619	15.7
85.06516	1.7
91.04961	2.6
91.05488	31.6
93.07052	28.0
93.23494	1.4
95.04975	7.8
95.08617	17.0
97.06551	8.3
97.10175	20.7
105.07038	32.5
107.04984	11.4
107.08600	100.0
109.06514	8.6
109.10132	6.8
111.08104	2.5
116.75459	1.3
117.07004	6.9
119.06052	1.4
119.08587	18.9
121.06532	3.7
121.10141	13.1
123.08076	6.0
123.11752	2.8
125.09632	19.4
129.06998	2.0
131.08562	10.4
133.10135	20.5
135.08063	4.9
135.11691	9.1
137.09625	1.5
145.10150	15.5
147.11703	14.0
149.09624	18.1
149.13232	3.0
151.11198	3.6
153.01869	4.8
153.09106	2.1
153.12741	1.8
157.10187	1.6
159.11690	8.5
161.13245	4.5
163.11198	4.4
165.09174	2.8
169.10278	1.7
171.11624	2.2
173.13293	4.0
177.12840	2.4
181.04971	1.7
181.12228	2.5
183.11714	2.6
187.11237	2.1
189.11250	13.8
197.13423	1.8
215.14256	1.8
221.07970	2.0
229.19606	3.8
233.19044	1.7
239.17978	4.6
247.20615	4.4
257.19046	11.3
275.20068	75.9
293.17761	3.0
293.21075	12.4
293.28015	3.2
303.90265	1.4
312.02820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	7.6
55.01878	8.4
55.05515	25.5
57.03440	4.2
57.07078	2.2
65.03928	2.9
67.05513	50.5
69.03424	2.0
69.07075	26.6
69.47813	1.2
70.70811	3.7
71.04994	7.3
77.03939	1.5
79.05501	42.7
81.03427	7.3
81.07062	100.0
83.04984	7.0
83.08636	14.0
83.70802	1.2
85.06552	2.9
91.05484	29.9
93.07055	27.9
95.04974	20.7
95.08612	28.5
95.09041	0.7
97.06547	4.8
97.10191	3.2
99.08083	1.9
105.07042	36.5
107.04965	7.8
107.08607	22.8
109.06529	25.2
109.10158	17.5
111.08080	8.4
111.11726	1.6
117.07043	8.2
118.00754	1.5
119.08595	33.9
121.06532	5.8
121.10150	15.1
123.04453	1.7
123.08093	15.6
123.11712	6.3
125.09641	2.7
129.07069	2.4
131.08571	11.9
133.10146	23.7
135.08063	6.3
135.11700	7.1
137.05998	6.7
137.09613	9.8
141.07004	1.6
143.08542	3.2
145.06534	1.4
145.10127	13.1
146.51401	1.5
147.08046	1.4
147.11703	17.3
149.09639	8.0
149.13239	3.2
151.11195	4.5
153.01851	2.0
155.08572	1.4
155.83247	1.3
157.10161	5.1
159.08177	1.4
159.11700	7.8
161.09656	2.2
161.13301	3.5
163.11200	7.7
165.12756	5.5
167.03391	1.4
171.11684	2.7
173.09677	1.8
173.13289	5.0
175.11244	3.3
177.12747	3.1
181.04901	2.4
183.11642	1.4
185.13336	1.5
187.11227	2.0
187.14828	1.8
189.11189	2.0
189.12749	1.6
191.14276	1.5
193.12241	2.6
201.12759	1.7
207.13782	1.4
213.16290	1.4
215.14243	1.8
215.17670	1.5
219.13905	1.6
221.08124	1.6
237.14877	1.7
239.17970	2.5
245.51315	1.4
247.20563	7.5
251.12991	1.3
257.19012	6.7
265.21808	1.8
275.20081	55.7
293.17783	2.5
293.21103	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03938	4.9
55.01871	5.8
55.05260	1.8
55.05513	29.3
57.03429	3.4
57.07078	13.4
59.04983	3.2
65.03941	2.1
67.05507	37.0
69.03432	3.4
69.07072	49.8
71.04984	3.4
71.08628	4.3
71.56136	0.9
73.06538	1.7
79.05495	32.0
81.03417	7.6
81.07061	100.0
83.04972	6.1
83.08624	34.3
85.02892	1.5
85.06554	10.2
85.10196	1.2
91.05481	20.8
93.07050	35.0
95.04968	11.8
95.08612	59.4
97.06542	9.7
97.10178	12.6
99.04395	1.1
99.08112	5.9
103.05462	5.4
105.07040	17.4
107.04967	5.1
107.08600	34.5
109.06534	16.8
109.10160	30.9
109.10917	1.6
111.08076	12.0
111.11713	7.3
117.06996	6.1
119.06006	1.0
119.08585	14.2
121.06517	4.4
121.10157	23.7
123.04411	1.0
123.08102	7.2
123.11709	21.4
125.09626	4.9
125.13254	1.5
127.11240	1.5
129.07031	2.0
131.04942	17.1
131.08580	7.2
133.10141	12.4
135.08092	5.0
135.11705	10.4
137.09627	4.1
137.13263	10.8
139.07529	1.1
139.11165	1.2
141.05460	2.0
143.08548	1.7
145.06494	1.5
145.10144	8.1
147.08089	1.7
147.11688	9.4
149.05919	1.1
149.09644	8.4
149.13258	17.3
151.11169	4.4
151.14822	2.9
153.01796	2.3
153.12701	3.4
155.06949	2.1
155.08502	1.3
157.10114	2.6
159.07961	1.0
159.11711	7.9
161.05963	1.1
161.09608	1.6
161.13249	2.7
163.07442	1.3
163.11224	5.8
163.14830	6.3
165.09155	1.1
165.12782	2.3
167.03436	1.3
167.14378	5.4
171.11691	2.1
173.09595	2.3
173.13261	4.7
175.11185	2.4
177.12766	2.1
177.16335	2.0
181.04945	4.1
181.96992	1.0
183.11674	2.3
187.11165	1.2
189.12791	1.6
189.16293	1.2
191.10680	1.2
191.17990	1.9
193.12285	1.4
197.09642	1.1
197.13161	1.6
201.12827	1.3
205.19536	1.4
215.14247	1.5
215.17778	1.2
219.21187	1.3
233.19035	1.5
239.17975	2.9
247.20570	4.2
251.12894	1.2
251.92067	1.2
257.18951	6.1
272.76270	1.1
275.20084	44.9
275.27225	4.4
276.20352	1.2
293.08194	1.6
293.11414	2.2
293.14392	1.6
293.17599	3.0
293.21106	19.8
293.24527	2.4
293.28271	18.0
312.02985	1.1
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	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01871	5.8
55.05260	1.8
55.05513	29.3
57.03429	3.4
57.07078	13.4
59.04983	3.2
65.03941	2.1
67.05507	37.0
69.03432	3.4
69.07072	49.8
71.04984	3.4
71.08628	4.3
71.56136	0.9
73.06538	1.7
79.05495	32.0
81.03417	7.6
81.07061	100.0
83.04972	6.1
83.08624	34.3
85.02892	1.5
85.06554	10.2
85.10196	1.2
91.05481	20.8
93.07050	35.0
95.04968	11.8
95.08612	59.4
97.06542	9.7
97.10178	12.6
99.04395	1.1
99.08112	5.9
103.05462	5.4
105.07040	17.4
107.04967	5.1
107.08600	34.5
109.06534	16.8
109.10160	30.9
109.10917	1.6
111.08076	12.0
111.11713	7.3
117.06996	6.1
119.06006	1.0
119.08585	14.2
121.06517	4.4
121.10157	23.7
123.04411	1.0
123.08102	7.2
123.11709	21.4
125.09626	4.9
125.13254	1.5
127.11240	1.5
129.07031	2.0
131.04942	17.1
131.08580	7.2
133.10141	12.4
135.08092	5.0
135.11705	10.4
137.09627	4.1
137.13263	10.8
139.07529	1.1
139.11165	1.2
141.05460	2.0
143.08548	1.7
145.06494	1.5
145.10144	8.1
147.08089	1.7
147.11688	9.4
149.05919	1.1
149.09644	8.4
149.13258	17.3
151.11169	4.4
151.14822	2.9
153.01796	2.3
153.12701	3.4
155.06949	2.1
155.08502	1.3
157.10114	2.6
159.07961	1.0
159.11711	7.9
161.05963	1.1
161.09608	1.6
161.13249	2.7
163.07442	1.3
163.11224	5.8
163.14830	6.3
165.09155	1.1
165.12782	2.3
167.03436	1.3
167.14378	5.4
171.11691	2.1
173.09595	2.3
173.13261	4.7
175.11185	2.4
177.12766	2.1
177.16335	2.0
181.04945	4.1
181.96992	1.0
183.11674	2.3
187.11165	1.2
189.12791	1.6
189.16293	1.2
191.10680	1.2
191.17990	1.9
193.12285	1.4
197.09642	1.1
197.13161	1.6
201.12827	1.3
205.19536	1.4
215.14247	1.5
215.17778	1.2
219.21187	1.3
233.19035	1.5
239.17975	2.9
247.20570	4.2
251.12894	1.2
251.92067	1.2
257.18951	6.1
272.76270	1.1
275.20084	44.9
275.27225	4.4
276.20352	1.2
293.08194	1.6
293.11414	2.2
293.14392	1.6
293.17599	3.0
293.21106	19.8
293.24527	2.4
293.28271	18.0
312.02985	1.1
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	Colnelenic acid
Peak:m/z	Relative Intensity
53.03933	3.4
53.40800	1.0
55.01858	2.2
55.05261	2.2
55.05513	31.8
57.03433	2.7
57.07072	7.6
59.04985	3.7
63.82560	1.3
65.03939	2.0
67.05176	1.3
67.05508	23.9
69.03427	10.7
69.07072	17.1
71.05006	6.2
71.57117	1.7
73.06571	7.2
79.05496	16.3
81.03416	10.0
81.07060	41.5
83.04988	15.9
83.08631	8.3
85.02911	2.3
85.04400	1.1
85.06548	9.0
91.05472	12.6
93.06463	1.8
93.07045	28.9
95.04966	16.3
95.08609	36.4
97.02885	2.4
97.06534	7.5
97.10164	5.1
99.04456	2.7
99.08089	1.8
101.06012	8.1
103.05470	6.0
105.04505	1.3
105.07031	19.6
107.04952	4.2
107.08599	33.5
109.02869	6.9
109.06518	13.3
109.09454	1.9
109.10160	30.7
110.44329	1.0
111.04422	1.4
111.08104	7.5
113.05986	1.3
113.09653	4.3
115.05416	1.6
117.07022	5.1
117.85673	1.3
119.08585	19.8
121.02866	3.2
121.06515	11.0
121.10146	36.8
123.04434	27.4
123.08075	8.6
123.11696	13.5
125.05984	2.1
125.09636	9.9
127.03855	1.8
127.07559	3.7
127.11182	1.2
129.07007	4.9
129.09052	1.1
131.04932	20.1
131.08559	7.6
133.10133	13.2
135.08054	10.9
135.11685	9.7
137.05974	4.9
137.09616	10.3
137.13228	3.9
139.07518	2.2
139.11156	2.3
141.07016	1.6
142.07794	1.8
143.08548	2.9
145.06509	1.3
145.10164	10.8
147.08018	2.0
147.11679	8.2
149.02348	72.1
149.05960	3.2
149.09619	13.5
149.13242	5.3
151.07558	3.7
151.11253	6.1
151.12215	1.1
153.01889	2.0
153.09142	4.9
153.12735	1.4
155.12656	1.2
157.10141	4.3
159.08022	2.8
159.11714	10.1
161.05965	3.7
161.09592	6.0
161.13251	9.2
163.07559	2.7
163.11180	5.2
163.14801	4.1
165.09129	2.4
165.12819	1.5
167.03355	1.4
167.10678	3.8
169.10152	1.8
171.11624	2.2
173.09633	2.5
173.13232	10.6
175.07559	15.6
175.11179	4.2
175.14821	4.0
177.09122	2.3
177.12784	3.2
177.16399	2.3
179.10698	11.5
179.14310	4.5
181.12297	1.3
183.11653	1.5
185.09828	1.3
187.11169	4.1
187.14772	6.3
189.12825	2.9
189.16435	2.2
191.10629	1.4
191.14264	6.8
191.17943	1.5
193.12245	2.3
199.14783	3.5
201.12750	3.5
201.16487	1.6
203.07039	15.7
205.12260	1.4
207.13815	2.1
209.15245	1.8
213.16287	1.3
215.10605	1.3
215.14258	2.9
215.17871	2.9
217.15961	4.4
219.13800	4.1
221.08064	2.1
221.15422	1.3
229.19592	3.3
233.15356	1.5
239.18013	4.2
247.20576	2.3
257.19012	11.7
257.21783	1.3
257.22714	1.6
265.21582	1.7
275.12741	5.0
275.16901	2.3
275.20078	41.2
275.23212	2.3
293.08200	4.4
293.11154	2.0
293.13968	4.7
293.17896	3.8
293.21112	100.0
293.24600	5.6
294.21503	1.3
298.86084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	3.4
53.97291	1.7
55.05258	2.3
55.05512	31.9
57.07079	19.7
59.04993	1.5
59.97410	1.5
65.03943	1.7
67.05170	2.5
67.05508	37.7
68.96521	1.5
69.03434	1.9
69.07070	66.6
69.28271	14.0
70.00989	1.8
71.04994	3.7
71.08625	12.2
79.05490	19.1
81.03422	2.8
81.07061	100.0
83.04948	1.8
83.08626	27.8
85.06531	4.7
85.10178	2.2
86.99215	1.6
91.05473	15.6
93.07050	36.5
95.04975	7.5
95.08612	98.5
95.43255	1.7
97.06538	3.4
97.10176	10.1
99.08096	2.5
103.05550	1.5
105.07038	30.0
107.07871	1.9
107.08604	38.3
109.10165	59.9
111.08082	4.1
111.11709	11.0
113.09632	1.7
119.08582	22.7
121.06532	1.8
121.10148	27.7
123.04461	4.0
123.08054	2.9
123.11719	39.8
125.09625	2.5
125.13262	2.7
127.11190	1.5
131.08549	1.7
133.10121	15.8
134.56734	1.4
135.11716	20.8
137.09634	2.1
137.13277	19.6
139.03908	4.9
139.11201	3.0
145.10136	1.8
147.04349	1.5
147.11699	24.4
149.13266	20.0
151.11186	2.4
151.14810	5.0
153.12743	2.9
161.13278	15.5
163.14821	15.3
165.12778	6.0
165.16386	2.6
167.14272	2.0
175.14873	6.4
177.16415	5.8
179.14319	4.0
179.17940	2.5
189.16393	5.8
191.17932	5.7
193.19560	2.0
203.18021	5.0
217.19531	9.9
235.20447	1.8
273.25809	31.8
291.19620	3.1
291.26834	81.0
297.18289	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	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87631	8.8
98.21069	7.0
100.06464	2.7
101.00862	4.9
106.90776	2.3
112.19869	2.3
119.01874	6.2
131.01913	3.1
143.01895	15.2
155.01932	5.2
161.02931	25.1
173.02960	8.9
176.68945	2.2
203.04015	8.6
263.06110	2.9
293.06311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
51.17921	1.3
53.03933	4.3
54.67873	1.1
55.01857	3.4
55.05262	1.6
55.05513	24.2
57.03432	3.1
57.06823	1.3
57.07079	17.7
59.04998	1.2
63.00031	1.2
65.03932	2.6
67.05503	36.9
69.03426	6.3
69.07071	52.9
69.36079	1.0
70.63481	3.8
71.04990	3.2
71.08631	9.1
72.51938	1.2
72.79761	1.2
79.05495	18.2
81.02972	1.6
81.03419	19.8
81.07058	98.3
82.03726	1.2
82.07411	1.1
83.04973	4.3
83.08625	23.6
84.29951	1.1
85.06532	4.4
85.10165	2.9
91.05481	14.8
93.07049	38.4
94.07293	1.3
95.04977	7.7
95.08608	100.0
97.06519	7.9
97.10155	12.0
98.20972	2.2
99.08098	2.6
105.06377	2.0
105.07030	23.6
107.08595	39.2
108.91821	1.3
109.02873	5.1
109.06526	5.8
109.10155	54.2
111.08092	7.1
111.11744	9.5
117.07018	1.7
119.04914	7.9
119.08580	18.6
121.09309	2.1
121.10147	34.8
123.04435	11.5
123.08083	2.0
123.11710	38.6
125.05940	1.2
125.09607	5.0
125.13268	2.1
127.03943	1.7
131.08557	2.3
132.42201	1.1
133.10127	12.1
135.08012	1.7
135.11699	19.2
137.09663	2.8
137.13257	18.3
139.03917	16.9
139.11195	3.4
145.10118	3.0
147.04410	23.3
147.08118	1.6
147.11705	16.5
149.13272	21.6
151.11162	4.0
151.14777	6.0
153.01823	3.6
153.12732	4.3
161.05843	1.4
161.13266	11.7
163.14819	17.0
164.24394	1.1
165.05502	3.0
165.12755	5.0
165.16399	3.2
167.14377	1.7
175.11209	1.3
175.14822	6.1
177.16385	8.5
179.03477	1.4
179.14333	3.5
179.17912	2.8
189.16397	5.3
191.17973	5.6
193.15898	1.7
203.17975	7.0
205.19481	1.8
217.19487	8.5
229.19527	1.2
231.21071	1.7
247.24248	2.6
273.18433	2.0
273.25787	22.6
291.08615	11.3
291.16037	1.7
291.19629	2.9
291.26816	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.75274	0.8
53.03929	1.0
55.01868	2.9
55.05514	7.0
55.81935	1.0
57.03424	2.3
57.07065	4.3
59.05006	2.4
65.03944	1.0
66.99947	0.8
67.05511	11.1
69.03426	2.7
69.07069	5.1
69.59434	5.8
69.59856	1.8
70.06583	1.9
71.04980	3.7
75.76471	0.9
79.05499	11.5
81.03414	1.2
81.07062	17.4
83.04967	4.3
83.08614	5.4
85.02876	0.9
85.06546	3.4
88.07626	2.6
91.05474	9.1
93.07048	17.7
95.04973	6.4
95.08607	20.5
97.06541	2.6
97.10162	1.0
98.21320	3.2
99.08077	1.1
102.09176	1.8
103.05410	1.1
105.07027	11.7
107.04949	6.0
107.08588	11.8
109.05502	0.8
109.05724	1.1
109.06511	13.7
109.10158	6.5
111.04417	2.1
111.08083	25.7
113.05994	1.2
113.09678	1.3
113.21180	0.9
117.07012	3.9
119.04929	1.6
119.08589	15.2
121.06499	4.0
121.10140	11.0
122.07293	1.4
123.04442	9.7
123.08070	33.5
123.11713	4.0
125.09599	2.0
129.06981	2.2
130.07709	1.8
131.08571	9.0
133.06477	3.9
133.10146	9.1
135.08064	10.2
135.11725	4.8
137.09595	3.9
139.03912	15.3
142.07762	1.7
143.08583	3.9
145.10112	16.1
147.04408	3.7
147.08060	4.5
147.11655	7.9
148.08739	1.3
149.09625	8.9
149.13264	1.7
151.07547	100.0
153.01782	1.2
155.08611	1.9
155.10669	2.3
156.09326	3.1
157.10100	4.7
159.08003	1.7
159.11740	5.9
161.09641	5.1
161.13248	3.3
163.11171	3.8
163.14909	1.1
165.05450	1.5
165.09216	1.4
171.11702	4.9
173.09665	1.5
173.13313	5.4
174.10468	1.7
175.11189	4.6
177.09105	2.2
177.12718	2.9
179.10663	5.8
185.13152	1.5
187.11186	3.5
187.14845	1.8
189.12752	25.7
191.10753	1.7
191.14290	6.1
192.11409	3.7
197.11728	14.3
197.13304	2.4
199.14615	1.2
203.14349	3.4
203.17947	1.1
207.13805	65.8
213.16414	2.1
215.14381	4.5
217.12323	3.3
227.18083	1.3
228.23412	1.1
229.23622	5.7
231.13864	1.1
231.17462	3.7
233.15323	13.4
235.13268	1.8
249.18533	1.3
255.17421	2.7
273.15607	1.8
273.18491	12.4
273.25690	1.0
275.96924	1.0
291.19550	58.0
291.27063	18.7
292.19879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	8.3
55.05512	49.7
56.64050	1.1
57.07063	3.7
57.79691	1.4
65.03939	2.9
66.40903	1.0
66.83797	1.2
67.01853	2.4
67.05504	50.9
68.99792	25.3
69.03432	2.9
69.07071	49.6
69.79898	6.6
69.98075	1.4
71.01325	1.4
71.05000	2.4
71.08628	2.4
79.05490	20.4
81.03398	4.4
81.07058	59.1
83.04990	11.4
83.08621	19.3
85.02912	1.3
85.06526	2.2
91.05485	19.1
93.07039	17.6
95.04978	8.4
95.08607	47.1
97.02881	4.0
97.06532	51.5
97.10168	12.6
98.20879	3.1
98.21445	1.4
105.07028	16.1
107.04958	3.3
107.08597	16.5
109.06530	7.1
109.10158	26.4
111.00804	46.7
111.04446	18.4
111.08061	4.6
111.11749	2.7
113.06023	1.3
117.07013	3.9
119.08579	15.4
121.06509	3.8
121.10131	13.4
122.92744	1.4
123.04426	5.6
123.08083	9.9
123.11702	18.4
125.05981	4.3
125.09625	2.7
126.03113	2.2
127.03934	14.0
131.08554	4.1
133.06493	4.3
133.10149	14.2
135.08081	4.8
135.11685	5.7
137.06062	2.1
137.09586	4.5
137.13245	3.3
139.03903	52.9
139.07529	6.5
139.11189	2.7
141.05449	3.5
143.08575	3.1
145.10133	4.5
147.08034	6.6
147.11708	10.8
149.05983	2.4
149.09596	3.9
149.13240	2.0
151.07523	4.3
151.11180	4.7
151.14806	2.9
153.01820	14.6
153.05475	3.9
153.09093	5.4
153.12724	2.9
157.08534	1.9
157.10109	4.5
157.97943	1.2
159.11606	1.4
161.09636	3.1
161.13234	4.5
163.07500	2.5
163.11198	3.1
163.14784	5.1
165.05469	4.8
165.09120	5.6
165.12724	3.1
165.16418	1.7
167.03366	2.7
167.07047	5.9
167.10674	3.4
167.14340	1.7
169.08601	2.3
171.10262	2.0
171.11653	3.7
175.11139	4.1
175.14714	2.2
177.12878	1.5
177.75459	1.2
179.07059	2.0
179.10672	4.9
181.04921	2.2
181.08582	7.9
181.12196	1.7
183.10164	1.4
185.11749	1.7
187.14859	3.0
189.09094	1.5
189.12727	2.2
189.16383	18.1
193.08517	2.1
193.12236	2.8
195.10150	12.3
195.13829	7.1
203.10626	1.5
203.17940	2.2
205.15816	1.5
207.10161	3.1
209.11769	12.7
213.16383	5.7
217.12251	2.0
221.11731	4.9
221.18901	2.4
223.13263	10.6
227.17838	1.4
230.59938	1.4
231.17435	4.9
235.13301	7.4
245.19041	4.1
249.14906	3.5
249.18600	8.2
273.14963	2.0
273.18518	7.5
291.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01882	3.1
55.05514	4.5
57.03429	0.8
57.07045	0.7
60.89444	0.6
65.03918	1.7
67.01860	1.3
67.05508	21.8
68.99782	2.8
69.03421	1.7
69.07058	2.3
79.05499	6.5
81.07059	33.1
83.04980	2.8
83.08563	0.8
91.05491	3.6
93.07053	4.4
95.04972	1.3
95.08601	4.3
96.37327	0.6
97.02906	1.2
98.21267	3.7
101.64478	0.6
105.07028	4.3
107.08592	2.5
109.06499	1.9
109.10159	0.9
111.00786	1.5
111.04478	1.6
119.08592	2.8
121.10168	6.7
123.04460	5.2
123.08045	0.8
123.11718	7.0
125.06009	0.8
125.09605	0.8
127.03917	7.0
135.11678	0.6
137.06003	4.0
139.03909	53.2
139.11208	3.9
147.11723	6.6
149.05984	0.9
151.03955	0.9
153.01837	100.0
153.05354	3.9
154.02211	0.8
155.03419	2.1
163.03903	5.2
165.05498	9.1
165.12747	4.6
171.02974	0.7
177.05461	1.7
179.07051	3.1
181.04974	6.3
189.05351	0.6
191.07133	2.2
192.87053	0.7
193.08629	8.3
195.06537	1.5
203.07059	2.1
205.08665	0.7
207.10159	4.6
209.08160	1.1
229.19662	0.7
246.97916	0.7
273.14941	5.6
291.15942	17.4
291.19534	3.4
299.94736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65297	0.2
53.03927	0.4
55.01867	1.9
57.03426	0.5
61.02923	0.3
65.03938	0.8
67.05495	2.1
68.99799	2.0
69.03412	1.3
69.07064	3.8
69.37094	0.9
69.37519	1.5
71.05000	0.3
77.03915	0.5
79.05504	0.3
81.03419	1.7
81.07050	0.3
82.75610	0.2
83.04987	1.7
83.08631	0.4
85.02907	5.4
91.05485	2.3
93.03396	1.1
93.07069	0.6
95.04964	3.0
96.71519	0.3
97.02908	1.3
98.21251	1.2
98.97493	0.3
99.04469	0.5
99.08108	0.3
105.03392	0.5
105.07025	0.7
107.05000	0.6
109.02854	0.8
111.04453	3.0
111.08080	1.4
111.11718	1.0
115.05447	1.0
117.07059	0.3
119.04942	7.0
123.04429	66.6
124.04767	0.9
125.06064	0.3
127.03910	2.2
127.11150	0.3
129.07045	0.3
129.12766	1.3
131.04944	0.3
133.06453	1.3
133.10118	0.4
135.04420	0.5
137.02350	1.2
137.05997	0.9
139.03903	100.0
139.11244	0.4
140.04236	0.7
141.12762	0.8
143.04932	2.8
145.04962	0.5
147.04408	22.2
149.05984	0.6
151.03918	2.6
153.05461	0.9
159.04314	0.3
161.05986	8.3
163.03891	1.7
165.05486	13.7
169.04977	1.3
171.04427	0.4
177.05476	1.2
179.03435	0.4
179.07022	3.0
179.10654	0.5
181.04947	0.9
189.05458	2.6
205.08743	0.3
207.06529	6.5
219.13898	0.5
231.06534	0.4
237.14767	0.5
249.07471	1.4
255.15970	0.6
273.07513	1.3
291.08609	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	6.2
54.82124	1.4
55.01875	15.1
55.05267	1.8
55.05515	32.1
57.03432	6.1
57.07065	2.5
65.03941	3.9
67.05507	59.1
68.94391	1.4
69.03416	8.3
69.07066	17.6
71.04985	7.9
79.05498	55.1
80.64028	1.5
81.03403	3.2
81.07059	55.2
83.01348	2.2
83.04987	8.2
83.08623	11.0
85.02904	2.0
85.06506	3.8
87.04507	1.9
91.05480	55.3
93.07048	42.6
95.04970	24.1
95.08610	52.5
97.02917	2.5
97.06561	7.4
97.10180	12.3
98.20984	9.4
99.08121	1.8
103.05485	2.6
105.03385	2.2
105.06371	3.0
105.07037	40.7
107.04942	13.0
107.08603	25.5
109.06535	13.3
109.10158	13.1
110.06118	1.6
111.04440	1.7
111.08089	17.4
115.05450	4.3
116.06235	4.1
117.07015	34.9
119.04928	3.3
119.08586	52.4
121.06500	21.3
121.10139	12.6
123.04438	10.9
123.08073	16.4
123.11715	3.3
125.05970	2.3
125.09653	8.4
128.06233	5.7
129.06987	14.1
130.07790	3.8
131.08571	33.5
132.05708	1.5
132.34837	1.6
133.06470	8.8
133.10146	12.3
135.04390	1.5
135.08073	17.9
135.11661	5.3
137.06013	4.6
137.08638	2.4
137.09607	18.1
138.50146	1.5
139.03912	18.5
139.07536	3.5
143.08572	17.1
144.09323	1.9
145.06496	2.6
145.10121	30.2
147.04364	4.0
147.08046	25.6
147.11719	5.7
149.06036	1.8
149.09590	9.6
149.13289	2.4
151.07536	43.4
151.11119	2.1
153.01871	3.6
155.07048	6.0
157.10150	13.6
159.08022	7.4
159.11720	9.0
161.05972	2.1
161.09637	11.5
161.13232	2.3
163.11205	5.9
165.05461	5.3
165.09151	4.6
167.03419	4.3
167.07027	21.4
169.10117	4.6
171.11693	7.4
173.13255	2.4
175.11235	4.7
177.05560	3.7
177.09093	4.1
179.07063	10.6
179.10629	3.4
181.04958	100.0
181.08484	3.1
181.10139	2.9
183.11734	2.5
185.13237	3.9
189.09090	2.2
189.11189	5.1
189.12781	9.9
191.06998	8.0
193.08589	13.3
195.11748	2.6
197.11734	4.9
199.11243	3.9
199.14880	2.2
203.14397	1.8
205.08588	3.9
205.12158	2.0
207.06593	2.5
207.10213	8.5
207.13823	20.8
209.13271	2.0
213.12770	2.3
213.16364	1.6
217.12354	2.6
217.15935	3.7
221.11659	3.2
223.13332	2.7
227.17937	1.9
229.02780	1.6
231.10185	2.0
231.17464	3.8
233.15369	3.9
235.13184	1.7
237.16396	3.8
245.18965	5.1
249.14799	8.4
255.17427	6.7
256.23965	1.8
273.14908	18.1
273.18503	48.7
291.12631	3.4
291.15958	26.5
291.19553	83.5
291.26843	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	291.1591
Annotation	6-Dehydrogingerdione
Peak:m/z	Relative Intensity
55.01865	6.2
55.05505	8.8
57.03425	2.7
57.07060	2.2
67.05503	24.7
69.03429	2.2
69.07071	7.0
69.87125	2.2
71.57998	3.0
79.05497	12.0
81.07060	34.2
83.05000	3.8
83.08598	3.2
84.55313	2.1
85.02899	4.7
91.05505	11.2
93.07047	9.6
95.04974	4.1
95.08627	13.0
95.09177	1.9
98.20998	3.4
105.07014	8.9
107.04994	2.3
107.08596	7.1
109.10170	8.3
111.08069	3.1
112.77889	2.1
119.08582	5.0
121.06493	2.9
121.10151	7.7
123.04469	4.6
123.11707	4.1
125.09682	2.2
127.03909	4.8
133.10130	4.2
135.04506	2.3
137.05936	3.5
139.03912	61.2
147.08055	3.0
147.11678	6.7
151.03920	25.1
151.07553	3.7
153.01840	61.2
153.05472	21.8
163.03989	6.5
163.07616	2.9
165.01898	18.9
165.05521	8.4
165.12712	3.5
167.03448	22.9
167.06999	2.7
167.93616	2.3
177.05476	17.4
179.07066	4.6
181.04965	13.8
183.02895	16.0
189.05502	3.0
191.07091	3.7
193.05002	4.0
193.08548	4.1
195.06580	5.2
205.08493	3.4
207.10211	4.5
217.08739	2.8
255.13680	4.0
273.14954	23.0
291.15939	100.0
291.19559	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	291.1591
Annotation	6-Dehydrogingerdione
Peak:m/z	Relative Intensity
50.69014	0.7
53.03930	1.0
55.01861	2.2
55.05502	3.1
65.49741	0.6
67.05502	19.4
68.99770	1.2
69.03428	5.5
69.07057	1.9
71.04959	0.9
79.05495	4.4
79.36888	0.6
81.03398	0.8
81.07045	3.1
81.33015	0.7
83.01330	2.3
83.08599	0.9
85.43289	0.6
91.05476	5.8
93.07036	7.9
95.04956	2.7
95.08606	29.1
97.02894	1.4
97.06541	1.5
105.07040	1.2
107.04931	1.2
107.08593	0.9
109.06521	1.3
109.10146	4.5
111.00775	1.4
111.08089	2.6
112.24249	0.6
119.08577	5.3
121.06479	1.5
123.04422	0.8
123.08027	1.2
125.06015	1.4
133.10089	1.2
135.04413	0.7
135.08038	1.3
137.05988	2.2
137.09624	14.1
139.03885	1.0
139.07541	2.5
147.08041	1.7
151.07552	9.7
153.01744	0.8
153.05530	1.6
155.07031	11.4
158.87065	0.7
161.05960	0.9
161.09650	1.7
165.05548	0.7
165.09088	2.4
166.48193	0.6
167.07040	29.3
175.07527	2.4
177.05467	2.9
179.03442	1.1
179.07047	9.6
179.10658	2.2
181.04958	100.0
181.08440	2.6
182.05283	0.9
183.06505	1.1
191.07008	6.4
193.08589	10.2
195.10316	0.7
205.08620	2.5
207.06717	0.8
207.10168	7.7
209.08134	0.9
221.11766	4.0
231.10236	1.9
245.11818	0.8
245.15382	1.3
266.76883	0.6
273.14825	13.1
291.15897	23.3
291.19519	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	291.1591
Annotation	6-Dehydrogingerdione
Peak:m/z	Relative Intensity
50.25931	0.3
52.32049	0.4
53.03946	1.5
55.01876	1.9
55.05290	0.5
55.05515	4.6
55.62081	0.3
57.03438	1.0
57.07080	0.7
58.42533	0.4
65.03925	0.8
67.05508	21.0
69.03434	4.7
69.07072	2.3
69.52555	2.9
71.04993	1.2
79.05500	5.4
79.44630	0.4
81.03411	0.8
81.07066	4.9
83.01320	2.2
83.04964	1.0
83.08629	1.1
84.76258	0.4
91.05486	7.5
93.07053	9.0
95.04976	3.1
95.08614	31.6
97.02898	1.8
97.06530	2.5
98.20936	1.3
105.07030	2.7
107.04958	2.6
107.08604	2.5
109.06554	2.4
109.10170	4.6
109.73032	0.4
111.04461	0.5
111.08095	4.0
113.65448	0.5
117.07030	1.3
119.08588	6.5
120.96929	0.4
121.06512	1.7
121.10149	1.3
123.04435	2.1
123.08099	4.0
123.11732	0.6
125.05965	1.5
125.09632	0.7
127.07558	0.4
129.07024	0.4
131.08553	1.4
133.06490	1.2
133.10123	1.6
135.04405	0.7
135.08057	2.0
135.11676	0.9
137.05956	1.9
137.09624	12.9
137.13286	0.4
139.03915	4.0
139.07607	2.1
145.10103	0.7
147.04396	1.2
147.08047	1.9
149.06029	0.5
149.09624	0.9
151.07561	14.3
153.05473	1.4
155.07048	6.3
157.10135	0.8
159.08060	0.7
161.05960	1.1
161.09618	1.6
161.13245	0.5
163.07642	0.7
165.05473	0.9
165.09096	2.7
167.07051	22.0
171.11697	0.4
173.13226	0.4
175.07570	2.1
175.11142	0.5
177.05499	2.9
177.09094	1.0
179.03464	1.3
179.07054	8.3
179.10608	2.1
181.04970	100.0
182.05208	0.5
183.06534	0.7
189.09181	1.4
189.12764	1.8
191.07034	8.1
193.08612	10.8
195.06494	0.6
195.10220	1.0
197.11665	0.8
203.10704	0.5
205.08614	3.1
207.06541	1.2
207.10181	10.1
207.13768	4.5
209.07976	0.9
217.08528	0.7
217.12206	0.6
217.15846	0.4
219.10068	0.6
221.11717	3.2
223.09624	1.1
231.10194	2.2
233.15425	0.8
235.13408	0.6
245.11716	1.3
245.15378	1.0
247.13425	0.5
249.11336	0.7
255.13675	0.7
273.14896	13.3
273.18204	1.2
291.15927	21.6
291.19528	6.2
291.26816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	3.9
55.05513	5.5
57.03429	1.3
60.43310	0.4
61.97123	0.5
65.03929	1.1
67.01862	1.8
67.05504	23.1
68.99786	2.1
69.03433	2.5
69.07074	4.1
70.63509	1.4
71.04984	1.1
79.05052	0.6
79.05497	8.7
81.03404	0.9
81.07058	34.1
83.04986	2.8
83.08621	1.4
91.05482	5.5
93.07056	5.2
95.04997	2.3
95.08616	4.9
97.02876	1.1
97.06513	1.8
97.10135	0.7
98.20969	0.9
105.07047	4.6
107.04946	0.9
107.08588	2.9
109.06509	1.8
109.10178	1.2
111.00803	2.0
111.04443	1.8
111.08065	0.5
117.07027	1.0
119.04922	0.8
119.08597	3.8
121.06499	2.1
121.10154	7.6
123.04418	5.3
123.08071	1.1
123.11723	8.2
125.05961	0.6
125.09632	1.4
127.03927	9.0
131.08562	1.2
133.10130	1.0
135.08069	1.2
135.11711	0.9
137.05963	3.5
139.03905	57.8
139.11168	3.4
143.08565	0.8
144.11766	0.5
145.10133	1.1
147.04417	1.0
147.08054	0.9
147.11678	7.6
147.66100	0.5
148.15585	0.4
149.05968	0.7
149.09587	0.8
151.03847	0.7
151.07571	1.0
153.01831	100.0
153.05359	4.0
154.02168	0.9
155.03383	2.1
157.10120	0.6
163.03906	4.6
163.07591	0.5
165.05467	9.6
165.06880	0.8
165.12729	4.7
167.03365	0.6
167.07008	1.0
171.02914	1.0
177.05542	2.6
179.03421	1.0
179.07050	3.0
181.04970	7.0
189.05513	0.6
189.12790	1.1
191.07057	2.5
193.08607	8.1
195.06567	1.7
203.07100	1.4
205.08707	0.6
207.06409	0.7
207.10172	4.9
249.14970	0.5
255.17430	0.6
259.10452	0.6
263.39136	0.6
273.14883	6.2
273.18469	2.8
291.15915	19.7
291.19519	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48348	1.3
54.60253	1.1
56.14129	1.1
56.96559	3.6
58.00380	1.1
69.90596	2.3
69.91001	3.8
80.33010	1.1
82.06587	2.1
85.02912	1.5
97.02876	1.3
98.20821	1.5
98.21372	2.8
98.97607	1.8
101.00909	2.0
103.02453	2.8
105.23282	1.4
111.05573	3.4
113.00909	1.4
119.01936	4.7
128.07098	1.6
129.07460	1.7
131.01900	4.2
134.58351	1.2
143.01869	2.9
145.03513	2.7
147.01364	2.1
147.05067	3.8
149.49510	1.2
155.01958	2.2
157.03459	1.6
161.01253	2.0
161.02985	4.3
171.05080	1.7
173.03014	4.4
175.04590	2.1
185.02992	2.5
189.06079	2.1
201.02496	1.4
201.06157	3.5
203.07486	1.3
273.11502	1.8
291.10535	100.0
299.50842	1.2
313.45053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80813	0.8
56.96563	8.2
57.03431	1.0
61.02914	1.9
69.03411	3.8
71.04992	0.9
71.34892	1.9
81.03403	1.8
82.99825	3.2
84.08183	0.9
84.96029	2.0
85.02913	6.7
86.99332	1.0
89.00898	1.1
95.56592	0.9
97.02906	4.4
98.97580	9.6
101.00880	30.1
103.00613	1.0
105.00336	1.3
110.97549	1.4
112.99152	1.2
113.00873	8.3
115.02405	2.4
116.98592	3.3
119.01926	58.1
121.01656	2.1
124.99035	1.1
127.02396	1.3
128.03448	1.1
128.98586	2.5
129.03914	1.7
129.06575	1.1
131.01913	34.7
133.03435	3.4
134.99644	1.5
137.02948	7.0
139.02466	1.5
143.00113	2.3
143.01897	34.7
145.01659	2.0
145.03481	10.0
145.04575	1.5
146.99605	1.1
147.05045	6.3
148.90935	0.8
149.02917	3.4
155.01898	14.4
157.03474	8.6
158.99634	1.6
159.01370	1.5
159.04974	2.4
160.02165	1.4
161.02963	99.7
162.03110	2.4
163.02757	3.1
163.04440	3.6
165.06128	2.2
167.01889	3.4
169.03374	2.0
171.05000	5.5
173.02969	35.8
173.06451	1.1
175.04553	6.1
177.00647	1.6
177.50009	0.9
179.02286	1.1
179.03975	2.7
183.04898	1.2
184.04498	1.2
185.01335	1.3
185.02963	19.4
185.06567	2.3
187.04445	4.1
189.04688	0.8
189.06093	8.5
191.02377	1.6
191.04010	11.2
197.02924	3.5
201.06105	11.3
203.04016	19.7
203.07605	2.5
213.06012	2.1
215.03946	1.3
219.01733	1.3
219.07153	8.7
221.05069	4.3
223.01234	0.9
225.06033	1.4
227.04008	1.4
230.98215	1.8
231.07126	5.0
237.02672	1.0
245.05080	6.1
248.99191	8.0
249.08160	1.6
261.08017	0.9
263.06168	1.9
267.00284	2.6
273.11551	0.9
277.03601	1.2
291.09219	100.0
292.09439	2.1
303.01208	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02386	0.3
52.60115	0.3
53.03943	0.4
55.01873	1.9
55.05510	0.7
61.02916	0.4
61.06287	0.3
65.03930	0.4
66.94450	0.3
67.05507	1.6
68.99784	1.7
69.03436	1.3
69.07070	5.1
71.01358	0.4
71.48369	0.6
76.79658	0.3
79.05506	0.4
81.03418	1.4
81.07048	0.9
83.04980	1.5
85.02916	5.0
87.23133	0.3
91.05467	1.8
92.41174	0.3
92.68111	0.3
93.03391	1.0
93.07053	0.5
95.04964	3.0
97.02890	1.1
99.04478	0.4
105.07021	0.6
107.04926	0.6
107.08594	0.7
109.02866	1.0
109.10163	0.7
111.04444	3.4
111.08068	1.3
111.11729	1.5
115.05443	1.4
119.04950	7.0
123.04430	67.3
127.03942	2.3
127.11213	0.6
129.12761	1.0
131.04915	0.5
133.06500	1.1
133.10217	0.3
135.04445	0.7
137.02362	0.8
137.05978	1.2
139.03903	100.0
139.11191	0.4
140.04205	0.5
141.12727	0.9
143.04927	2.4
145.05009	0.5
145.06525	0.3
147.04414	22.0
151.03908	2.8
151.07549	0.5
153.05411	0.6
159.04419	0.4
161.05972	8.0
163.03940	1.8
165.05478	14.5
166.05669	0.3
169.04967	1.6
174.57550	0.3
177.05490	0.8
179.07034	3.1
181.04941	0.8
189.05461	1.8
205.08693	0.4
207.06537	7.6
231.06514	0.5
237.14870	0.5
249.07639	1.4
255.15930	0.6
273.07617	1.6
273.16949	0.4
279.80841	0.3
291.08582	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
54.10484	2.3
54.51614	2.2
55.01865	3.8
55.05490	3.7
56.96565	70.0
57.07071	2.9
58.34840	2.1
67.05510	3.8
67.84772	2.4
69.03425	7.6
70.02535	6.2
70.02912	4.4
70.06570	2.4
70.88264	2.1
71.05024	2.2
71.95261	3.2
72.08121	3.5
73.02934	3.8
73.06532	3.5
74.97604	3.0
78.32683	2.5
81.03424	7.4
81.07040	2.5
83.04986	8.0
84.04510	6.9
84.96018	16.0
85.02912	16.0
87.04443	2.2
91.05441	2.5
95.01372	2.5
95.04957	3.9
97.02901	14.2
98.21221	6.2
98.97585	100.0
101.00870	5.5
101.02374	2.3
103.02477	2.5
109.02875	3.2
110.97559	9.6
111.04369	4.0
116.07103	2.7
116.98627	59.7
119.01928	20.7
119.04950	3.9
121.01665	5.7
123.04437	33.9
124.99122	6.0
126.12796	4.0
127.03913	6.7
128.98636	15.6
129.05457	4.2
131.00206	3.1
131.01878	9.9
133.01712	2.9
133.03465	3.6
134.99657	25.4
137.02892	3.0
137.05989	3.6
139.03899	41.9
143.00188	12.7
143.01906	6.8
144.13864	13.9
145.01706	2.7
145.03465	5.9
146.99664	10.6
147.03310	4.5
147.04419	9.7
153.00717	3.0
153.01817	10.1
155.01956	3.6
157.01601	2.4
157.03505	3.2
158.99678	31.5
161.01227	25.6
161.02882	18.6
162.99112	7.7
163.02724	7.8
165.05571	4.0
167.06978	3.8
170.99641	5.9
173.02962	10.6
174.04430	3.4
175.02765	3.1
175.04340	4.2
177.00716	40.3
178.83582	2.4
179.02281	4.1
182.99673	3.7
185.01239	2.9
186.99164	6.7
187.02730	3.1
189.00720	7.7
189.04301	12.1
189.05867	3.4
191.03932	2.9
201.00687	7.8
201.06114	4.2
203.03972	6.7
205.00162	8.3
217.05663	2.7
219.01680	15.1
221.05077	5.7
223.01224	13.0
231.01700	4.4
237.02817	23.0
244.99660	20.0
248.99214	8.3
249.02838	5.8
263.00748	29.7
267.00250	8.7
291.04880	4.5
291.08920	38.9
291.19199	3.1
303.01340	8.7
309.08521	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02383	0.4
53.03949	0.5
55.01864	1.4
64.04455	0.4
65.03918	1.0
67.05508	1.7
68.99786	2.0
70.12473	1.5
77.03930	0.5
83.04975	1.4
85.02902	0.4
91.05472	1.7
93.03401	1.1
95.04977	3.3
97.02869	1.0
98.20864	0.5
98.21378	0.5
105.03403	0.5
105.07042	0.6
107.04984	0.7
111.00809	0.4
111.04444	3.7
112.77940	0.4
115.05447	1.3
119.04928	6.6
123.04432	69.1
127.03883	1.1
133.06483	1.0
135.04411	0.6
137.02345	1.5
137.05977	0.6
139.03906	100.0
140.04247	0.6
143.04944	2.8
147.04414	22.7
151.03941	2.9
151.07523	0.5
153.05423	0.6
161.05995	9.2
163.03925	1.5
165.05482	12.8
169.04941	1.4
177.05504	1.0
179.07036	3.7
181.04970	0.8
189.05496	2.3
191.68169	0.4
205.08600	0.4
207.06535	7.1
249.07605	1.2
268.64105	0.4
273.07489	1.1
291.08618	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	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	6.4
58.06628	2.1
69.03436	2.1
71.56723	2.8
74.69245	1.6
76.15651	1.5
84.96039	3.6
85.02908	4.1
91.00983	1.6
97.02847	2.0
98.97594	3.8
100.18832	1.6
100.90722	1.6
101.00861	2.5
103.02465	3.0
111.05593	1.9
116.98676	2.3
119.01941	5.7
121.01659	3.3
123.04454	2.1
124.99133	4.0
128.07053	2.1
131.01932	3.3
139.03931	2.7
143.00243	4.7
143.01901	2.5
147.01411	2.1
147.05006	2.9
149.02972	2.3
155.01891	3.5
157.03487	3.2
159.01447	2.1
161.01292	5.1
161.02980	5.6
163.04625	2.0
173.03023	4.6
185.02881	3.1
189.00826	2.8
189.02551	2.3
189.06129	3.7
201.06178	3.7
221.05078	2.3
223.01358	1.9
273.11749	3.0
291.10605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.03474	0.8
55.01863	1.2
55.05517	3.3
56.05005	0.6
56.96546	0.8
57.03424	2.0
58.06580	0.9
61.02903	1.8
67.05479	2.2
68.05035	3.5
69.03126	0.5
69.03427	4.8
69.93202	2.1
70.06576	2.2
71.04993	3.6
73.02911	2.6
74.06055	0.5
76.03992	0.6
81.03409	2.9
81.07040	0.5
82.06584	25.3
83.04945	2.2
84.04484	1.4
84.08147	6.4
84.11613	0.6
85.02909	7.2
85.06528	1.6
86.06059	1.4
94.06582	1.0
95.01317	2.2
95.04965	0.6
96.04462	0.9
96.08131	5.9
97.02894	6.8
98.06057	0.9
98.21278	1.0
98.97567	1.3
99.04441	2.0
100.07637	3.6
103.03956	0.7
108.04478	0.9
109.02918	1.1
110.06064	0.8
110.97580	0.6
111.04424	2.1
112.05132	0.7
112.07616	3.5
113.02336	1.2
114.05521	1.0
114.06666	3.1
114.09177	1.7
116.98606	0.8
119.01825	2.6
120.02023	1.3
122.06026	0.8
122.09615	0.9
123.04456	0.9
124.07599	4.4
126.05483	1.0
126.09145	1.2
127.03895	3.6
127.05018	2.2
127.06274	1.7
128.03453	17.0
128.04428	2.4
128.07082	33.6
131.01848	0.9
132.97891	0.6
135.04390	0.9
136.07547	1.2
138.05530	1.0
138.09114	2.4
139.03896	2.1
140.04280	1.4
140.07074	9.5
142.08640	7.1
144.01942	1.1
144.06503	0.6
145.04941	1.2
145.90886	0.5
146.02339	0.7
148.07564	1.9
150.05466	0.7
150.09129	1.2
152.07065	4.6
154.08618	3.1
155.02885	1.0
158.08102	2.0
160.05385	0.6
161.02888	1.5
162.09143	0.7
164.07047	1.3
166.08690	3.4
168.06560	2.4
170.07986	1.2
173.02917	1.1
176.10320	1.3
177.00725	0.9
178.08597	0.6
180.06516	0.6
180.10172	1.8
184.10884	1.3
191.03899	3.0
200.04370	5.0
200.09196	1.2
201.06120	0.6
206.08093	1.0
208.09732	1.9
210.11214	1.0
212.09140	0.9
218.06525	0.7
224.09119	1.2
226.05321	0.6
226.10706	3.5
228.12178	0.9
230.11436	4.3
236.09126	0.8
244.11745	7.1
254.10243	15.8
272.08322	1.5
272.11301	25.9
276.02463	0.8
290.12338	100.0
291.10446	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	290.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01411	0.2
53.03939	0.5
54.03476	0.9
55.01874	1.0
55.05514	4.1
56.05032	1.6
56.96564	1.7
57.03430	2.0
57.07065	0.4
58.06599	18.2
58.99847	0.2
59.20696	0.2
60.04512	0.2
60.95835	0.2
61.02929	1.6
65.01044	0.2
67.05508	2.4
68.05029	5.0
69.03426	4.2
69.07051	0.4
69.76092	1.1
70.02962	0.3
70.06589	2.3
71.04993	4.3
72.04517	0.8
72.08150	0.6
73.02917	2.0
74.06078	0.5
79.05498	0.4
80.05016	0.7
81.03416	3.1
81.04525	0.4
81.07055	0.4
82.02935	0.2
82.06579	31.4
83.01343	0.3
83.04986	1.8
83.07355	0.3
84.04506	4.8
84.08144	6.1
84.96017	0.4
85.02901	7.6
85.06549	2.1
86.06066	1.2
87.04471	0.6
88.03973	0.3
91.00405	0.2
91.05466	0.4
94.06570	1.2
95.04973	0.7
96.04488	1.2
96.07660	0.2
96.08124	8.8
97.02890	8.9
97.08943	0.4
97.49346	0.2
98.06038	0.8
98.09672	1.2
98.20934	0.4
98.97579	1.6
99.04460	2.0
100.07613	3.9
101.00880	1.3
102.00964	0.5
102.05548	0.4
102.96877	0.3
103.02400	0.3
103.03941	0.9
104.07098	0.4
106.06571	0.4
107.04951	0.2
108.04465	0.4
108.08099	0.7
109.02871	1.7
110.06044	1.2
110.09673	0.8
110.97588	0.3
111.04453	1.5
112.03961	0.8
112.05119	1.1
112.05840	0.3
112.07611	4.0
113.00888	0.4
113.02390	0.3
113.05872	0.4
114.05528	1.4
114.06656	5.7
114.09155	2.3
115.02402	0.3
115.03887	0.4
115.96439	0.3
116.07100	0.7
116.98633	1.0
118.06536	0.2
119.01925	3.9
120.02003	1.5
120.08093	0.7
121.01682	0.6
122.06004	0.9
122.09650	0.6
123.04432	0.2
124.03955	0.5
124.07593	4.8
124.11240	0.2
126.05509	2.5
126.06533	0.5
126.09159	2.2
127.03169	0.3
127.03913	2.2
127.05035	4.2
127.06346	2.0
128.03442	43.6
128.04495	2.4
128.05583	3.6
128.07074	38.6
128.10706	0.7
128.98625	0.3
129.03859	0.3
129.05504	1.1
130.04141	0.2
130.05028	1.1
130.08664	0.5
130.09769	0.7
131.01906	1.6
133.03450	0.7
134.03600	0.5
134.06058	0.4
134.09660	0.4
134.99615	0.5
136.07565	1.7
137.02936	0.5
138.03070	0.4
138.05499	1.2
138.09111	1.4
140.07063	12.4
140.10628	0.2
142.04959	0.3
142.08627	7.5
143.00168	0.5
143.01866	1.4
143.05780	0.4
144.06577	0.5
145.03410	0.8
145.04932	0.7
146.99623	0.5
147.05009	0.9
148.07530	1.4
149.02917	0.4
150.05487	0.3
150.09192	1.4
152.07060	5.4
152.10724	0.4
153.07796	0.6
154.08627	2.4
155.01878	0.9
156.07765	0.2
156.10173	0.6
157.03508	0.4
158.08109	1.9
158.09242	0.3
161.01225	0.9
161.02951	3.7
161.09224	4.9
162.03070	0.8
162.05482	0.3
162.09084	0.7
164.07057	2.1
164.10704	0.4
165.06114	0.4
166.08635	3.7
166.09923	0.4
168.06537	1.8
168.10143	0.6
169.09756	0.2
170.08099	1.7
171.05124	0.2
172.09686	0.3
173.02934	1.1
174.08763	0.6
175.04454	0.4
176.10358	1.4
177.00665	0.2
178.08630	1.0
180.04558	0.6
180.06602	1.0
180.10141	2.3
182.07944	0.3
182.11719	0.7
184.09828	0.4
184.10909	2.5
185.01231	0.2
185.02908	0.6
185.06723	0.2
187.04414	0.3
187.55055	0.2
189.06099	0.8
190.08597	0.7
192.10182	0.2
194.08121	0.8
196.09654	0.8
197.09294	0.2
198.07565	0.4
198.11256	0.3
200.09149	1.7
200.73747	0.2
201.06070	1.1
203.03992	0.8
205.00244	0.2
206.08133	0.6
208.09648	2.9
210.11223	0.8
212.09085	1.0
215.10258	2.3
216.00464	0.5
218.02080	0.3
218.08119	0.4
219.01819	0.5
221.04993	0.5
223.01193	0.4
224.09155	2.2
225.06053	0.3
226.10703	3.4
227.10252	0.4
228.10165	0.3
228.12303	0.8
230.11363	8.4
236.09123	0.9
244.11725	8.4
245.05017	0.5
246.13095	0.3
248.03062	0.3
254.10223	18.1
257.00980	0.3
272.11279	40.3
273.11185	0.4
275.01993	0.3
276.02545	0.4
277.03384	0.6
286.19702	0.2
290.12317	100.0
291.10092	5.0
291.13065	0.3
303.01324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02371	0.8
53.03942	3.2
55.01877	5.7
55.05525	4.5
56.09385	0.8
57.07085	1.3
61.18180	0.8
65.03935	4.3
67.05507	28.4
68.99788	4.0
69.03419	0.9
69.07063	3.9
71.57516	0.8
71.57873	1.3
73.65797	0.8
78.00213	0.9
79.05496	100.0
81.03426	1.1
81.07059	24.8
83.04965	3.2
83.08612	2.4
83.52050	0.8
91.05486	28.6
93.07047	22.8
95.04973	6.4
95.08610	22.4
97.02902	1.1
97.06538	5.9
105.07037	17.3
107.04943	1.9
107.08599	99.0
109.06516	7.0
109.10157	16.6
111.00800	5.2
111.04440	5.9
114.64290	0.8
117.07011	3.8
119.06071	1.4
119.08569	4.7
121.06506	1.7
121.10152	13.0
123.04436	4.7
123.08047	3.0
123.11724	2.8
127.03901	2.4
129.06982	1.6
131.08554	8.2
133.06497	1.3
133.10115	3.4
135.04428	3.5
135.08080	2.2
135.11688	3.1
137.05986	1.7
139.03912	14.3
141.05452	4.2
143.08551	1.5
145.06496	1.7
145.10132	6.1
147.08066	2.8
147.11656	1.9
149.05972	2.5
149.09641	12.1
151.07590	2.1
151.11172	1.3
152.01114	2.1
153.01831	1.0
153.05478	15.1
155.08583	1.0
157.10130	1.4
159.08032	1.6
159.11707	2.8
161.09657	1.1
161.13293	2.0
163.03955	1.2
163.07520	1.5
163.11143	1.5
163.14806	7.0
165.05453	2.1
167.03409	41.0
167.07068	5.7
169.05013	1.1
169.10123	2.3
173.09608	3.3
173.13306	1.2
177.05472	2.0
177.09196	1.0
177.16335	1.1
179.07056	7.0
181.08536	1.2
183.11761	1.0
185.13231	1.0
187.07410	1.4
187.11168	3.7
187.14819	9.8
191.07034	2.1
193.08583	1.8
193.12169	1.1
195.06569	13.7
197.09715	1.0
199.14835	1.7
201.09123	2.1
201.16406	3.0
205.08638	1.9
205.15952	1.4
207.06523	1.0
209.11720	2.0
211.14897	2.3
215.10657	3.0
225.16359	2.7
229.12271	2.6
229.15904	4.7
243.17380	6.1
247.13326	1.3
247.16872	1.3
253.15781	1.1
271.13287	5.8
271.16946	12.9
271.64105	1.0
289.14365	18.7
289.17987	32.1
289.21259	2.6
289.24786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
53.03931	4.9
55.01868	9.8
55.05511	17.2
57.07073	3.6
59.80721	2.0
63.14779	2.0
65.03929	3.2
67.05505	86.2
68.99792	14.6
69.07065	13.0
70.70997	3.7
71.01344	3.5
77.23163	2.0
79.05057	3.8
79.05491	53.4
80.96523	2.0
81.03407	3.7
81.07058	71.7
83.04971	7.7
83.08605	6.6
85.06523	3.0
87.22544	1.8
91.04958	2.6
91.05476	26.9
93.07047	60.1
95.04970	7.5
95.08609	77.3
95.09222	3.7
97.06525	21.4
97.10197	3.1
98.21223	2.2
101.13842	1.8
105.07042	22.8
107.04934	5.9
107.08597	49.7
109.06496	7.2
109.10154	61.9
111.00815	21.0
111.04474	15.8
117.07008	13.9
119.08560	15.3
121.06515	7.8
121.10153	29.8
122.10461	2.4
123.04401	9.8
123.08094	4.4
123.11722	9.4
123.76996	1.9
125.09602	2.8
127.03908	9.6
129.07050	3.6
131.08557	18.7
133.06468	2.2
133.10155	10.0
135.04449	7.1
135.08075	7.1
135.11693	11.1
137.09689	2.0
139.03902	48.3
141.05446	3.4
141.06952	4.2
143.08580	6.0
145.06525	3.8
145.10098	19.2
147.08032	8.0
147.11700	7.2
149.05989	8.4
149.09633	8.4
149.13237	3.2
151.07576	3.1
151.11119	4.8
151.14810	2.0
153.01859	3.9
153.05475	4.8
155.08563	5.4
157.10146	3.9
159.08003	3.9
159.11691	11.0
161.13271	8.7
163.03889	2.0
163.07593	3.2
163.11162	5.6
163.14828	22.7
165.05467	7.7
165.09108	4.2
167.03355	5.9
167.07033	4.4
169.10115	8.2
173.09656	13.7
173.13237	3.7
177.16388	2.9
179.07053	6.1
181.08621	4.8
183.11613	4.7
185.13289	5.5
187.07628	2.6
187.11180	15.7
187.14832	30.0
191.07005	2.9
193.12215	3.3
195.10175	5.4
199.14876	4.5
201.09129	6.8
201.12756	5.2
201.16393	10.9
205.12152	2.4
205.15848	3.6
209.11752	5.3
211.11221	2.1
211.14835	6.5
215.10669	8.3
215.17899	2.4
225.16432	9.4
229.12306	5.2
229.15800	16.0
243.17401	19.2
243.21205	3.1
245.15518	2.3
247.13130	2.7
247.16927	4.1
253.15765	4.7
271.16925	51.3
289.14529	8.5
289.17993	100.0
289.21454	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	289.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47968	1.1
53.03942	1.6
55.01870	5.1
55.05495	1.7
65.03937	2.1
67.05506	6.3
68.99795	2.5
69.07060	2.5
71.57192	1.2
79.05495	66.2
81.07063	8.0
83.44791	0.9
91.05483	18.5
93.07041	14.1
95.04962	4.8
95.08618	4.2
103.96532	0.9
105.07030	13.3
107.04940	1.3
107.08597	100.0
108.72230	1.0
109.06547	6.7
109.10154	2.2
111.04461	1.1
119.04903	1.2
119.08598	3.8
121.10138	6.3
123.04427	6.2
123.08039	1.4
125.05959	1.1
127.03902	1.2
129.06987	1.5
131.08569	6.6
133.10124	1.6
135.04411	2.2
135.08109	1.5
135.11690	1.2
137.06000	2.3
139.03891	3.8
139.07487	1.3
141.05466	5.7
143.08632	1.6
145.10173	1.5
147.11699	2.5
149.09619	26.9
151.03922	1.0
151.07552	1.5
153.01839	2.0
153.05481	30.5
153.06723	1.9
159.11702	2.1
161.13240	1.8
163.03915	1.5
163.07448	1.1
165.05482	1.2
165.11333	1.0
167.03407	50.2
167.07063	11.0
169.04951	2.2
172.59106	1.0
173.13257	1.8
177.05495	4.6
177.09058	1.4
179.07007	7.8
189.16420	1.0
191.07018	2.5
193.08620	1.9
195.06541	30.0
200.60571	1.0
205.08569	2.9
209.08118	2.1
217.08545	1.2
229.08557	1.3
231.10129	2.6
243.21303	1.1
271.13324	16.5
271.24091	1.2
289.14362	26.5
289.17853	2.7
289.21622	3.2
289.25131	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1434
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
51.02366	0.9
52.94550	0.9
53.03941	1.9
55.01882	4.4
55.05502	6.0
57.07058	0.9
57.18352	0.9
62.03405	0.9
65.03922	3.9
67.05169	1.7
67.05506	24.3
68.99793	5.1
69.07062	2.4
71.01334	0.8
71.57922	1.1
79.05495	100.0
81.03405	2.1
81.07057	20.1
83.04964	2.8
83.08606	2.0
84.78138	0.9
85.06551	1.6
85.32450	0.8
91.05485	27.6
93.03405	0.9
93.07047	19.9
95.04984	4.2
95.08615	16.5
97.02843	1.0
97.06506	4.8
101.47790	0.9
105.04437	1.0
105.07042	14.8
107.04929	4.1
107.08597	100.0
109.06537	5.0
109.10163	14.7
111.00813	4.3
111.04469	4.7
117.07032	4.3
119.06078	1.7
119.08557	4.0
121.06456	2.3
121.10156	11.7
123.04416	6.6
123.08070	3.1
123.11710	2.7
125.09621	1.0
127.03931	2.2
129.06996	2.1
131.08562	10.0
133.10098	2.7
135.04390	4.2
135.08038	1.5
135.11702	2.1
137.06006	1.7
139.03899	12.9
141.05444	4.1
143.08571	1.5
145.06473	1.4
145.10104	6.1
147.08020	2.1
147.11655	1.6
149.05942	2.1
149.09619	10.8
149.13312	1.5
151.03882	2.0
151.07532	3.1
151.11211	1.2
152.01044	1.4
153.01840	1.2
153.05470	14.5
155.08595	1.6
157.09972	1.1
159.11722	3.2
161.13235	3.2
163.03920	1.3
163.07472	2.0
163.11116	1.1
163.14864	5.6
165.05399	1.6
167.03409	43.7
167.07059	4.4
169.04955	2.3
169.10112	2.7
173.06068	1.2
173.09622	4.0
173.13243	1.8
177.05475	1.1
177.19640	0.8
179.07065	5.9
181.08528	1.7
183.08038	1.1
183.11656	1.0
185.13281	1.3
187.07545	1.5
187.11212	4.9
187.14812	7.2
191.07021	2.2
193.08633	2.0
195.06537	13.8
195.10165	2.5
197.09673	1.3
199.14853	1.2
201.09084	1.6
201.16385	3.0
205.08618	1.2
205.15810	1.6
207.06570	1.1
209.11714	1.9
211.14885	1.1
215.10617	2.1
225.16365	2.9
229.12265	1.0
229.15895	4.5
243.17422	4.4
247.13252	1.4
247.16948	1.2
253.15962	1.1
271.13336	4.6
271.16922	16.1
276.15305	1.0
289.07166	1.3
289.14328	17.9
289.17957	30.0
289.21219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
54.14593	1.3
55.01870	3.7
55.05514	6.7
57.07059	1.9
57.86606	1.5
59.04990	4.1
65.03917	2.8
67.01871	2.2
67.05502	21.5
68.99788	3.7
69.03432	9.1
69.07066	3.3
69.77216	7.6
74.35947	1.4
79.05497	29.6
81.03435	3.1
81.07066	14.0
83.04984	3.0
83.08620	2.0
85.02879	1.9
85.06534	5.8
91.05476	14.5
92.54549	1.3
93.07043	30.7
95.04971	5.1
95.08611	16.1
97.06544	2.0
97.10142	1.4
98.21139	4.4
105.07024	10.1
107.04970	2.2
107.08595	26.2
109.06514	2.9
109.10157	5.6
111.00757	2.2
117.06995	3.0
119.08578	9.8
121.06564	1.7
121.10148	29.6
123.04424	3.5
125.09623	2.6
127.03915	3.7
129.07069	2.0
131.08580	5.8
133.10130	5.0
135.08058	2.9
135.11681	5.2
137.05997	2.8
137.09613	2.2
137.47665	1.4
139.03909	32.4
141.01808	1.7
141.05504	2.6
141.06996	1.6
143.08542	3.1
145.10123	9.7
147.04395	2.1
149.05981	2.5
149.09608	5.2
151.03946	10.3
153.01834	90.0
153.05406	8.7
155.08646	2.1
156.03427	1.7
159.11705	4.1
161.05991	2.8
163.03899	8.2
163.11224	8.2
165.01852	12.4
165.05472	13.2
167.03439	10.5
167.07069	2.2
171.11728	2.5
173.06042	2.6
173.13264	3.3
175.03940	2.8
177.05446	7.4
179.03427	25.4
179.07043	4.3
181.04958	6.2
183.02873	11.7
183.11694	2.6
187.14946	2.1
189.05501	3.9
191.03474	2.8
191.07051	6.4
193.05038	8.5
193.08627	4.7
195.06555	5.7
201.05304	1.7
201.12675	1.8
203.07007	6.3
205.08662	4.1
207.06532	4.2
209.08147	1.6
215.07013	1.9
229.08675	2.1
239.18073	1.4
243.21147	4.9
247.13226	2.5
253.12164	2.1
271.13287	23.6
289.14349	100.0
289.21429	11.1
289.24820	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	289.1431
Annotation	4-Hydroxy-(3',7'-dimethyl-1'-oxo-octa-2'-E-6'-dienyl)benzoic acid
Peak:m/z	Relative Intensity
53.03947	2.6
54.14593	1.3
55.01870	3.7
55.05514	6.7
57.07059	1.9
57.86606	1.5
59.04990	4.1
65.03917	2.8
67.01871	2.2
67.05502	21.5
68.99788	3.7
69.03432	9.1
69.07066	3.3
69.77216	7.6
74.35947	1.4
79.05497	29.6
81.03435	3.1
81.07066	14.0
83.04984	3.0
83.08620	2.0
85.02879	1.9
85.06534	5.8
91.05476	14.5
92.54549	1.3
93.07043	30.7
95.04971	5.1
95.08611	16.1
97.06544	2.0
97.10142	1.4
98.21139	4.4
105.07024	10.1
107.04970	2.2
107.08595	26.2
109.06514	2.9
109.10157	5.6
111.00757	2.2
117.06995	3.0
119.08578	9.8
121.06564	1.7
121.10148	29.6
123.04424	3.5
125.09623	2.6
127.03915	3.7
129.07069	2.0
131.08580	5.8
133.10130	5.0
135.08058	2.9
135.11681	5.2
137.05997	2.8
137.09613	2.2
137.47665	1.4
139.03909	32.4
141.01808	1.7
141.05504	2.6
141.06996	1.6
143.08542	3.1
145.10123	9.7
147.04395	2.1
149.05981	2.5
149.09608	5.2
151.03946	10.3
153.01834	90.0
153.05406	8.7
155.08646	2.1
156.03427	1.7
159.11705	4.1
161.05991	2.8
163.03899	8.2
163.11224	8.2
165.01852	12.4
165.05472	13.2
167.03439	10.5
167.07069	2.2
171.11728	2.5
173.06042	2.6
173.13264	3.3
175.03940	2.8
177.05446	7.4
179.03427	25.4
179.07043	4.3
181.04958	6.2
183.02873	11.7
183.11694	2.6
187.14946	2.1
189.05501	3.9
191.03474	2.8
191.07051	6.4
193.05038	8.5
193.08627	4.7
195.06555	5.7
201.05304	1.7
201.12675	1.8
203.07007	6.3
205.08662	4.1
207.06532	4.2
209.08147	1.6
215.07013	1.9
229.08675	2.1
239.18073	1.4
243.21147	4.9
247.13226	2.5
253.12164	2.1
271.13287	23.6
289.14349	100.0
289.21429	11.1
289.24820	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	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03949	0.7
53.92764	0.3
55.01865	0.4
57.03438	0.3
61.02917	1.0
65.03947	0.3
69.03436	2.1
71.04995	0.4
81.03396	0.9
83.04974	0.4
85.02914	4.3
87.33397	0.3
91.03992	0.4
97.02901	1.8
97.03419	0.3
97.70788	0.3
98.21104	2.3
99.04488	0.4
109.02875	0.7
111.04462	0.9
113.63212	0.3
123.04464	2.0
127.03928	100.0
128.04272	0.7
135.04416	3.1
137.02428	0.3
139.03908	4.5
144.10094	0.3
145.04993	0.8
151.03856	0.3
153.01872	0.4
159.04462	0.5
163.03957	0.8
229.43996	0.3
247.13574	0.4
289.07059	0.9
289.12106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03949	0.5
55.01864	0.5
55.05508	0.3
57.07069	0.3
65.03940	1.0
67.01867	5.9
67.02220	0.4
67.05498	0.9
68.99789	4.3
69.03444	2.7
69.07069	0.5
69.54816	0.7
69.55222	1.8
71.04985	0.3
79.05487	2.1
81.03429	1.8
81.07052	1.4
83.01347	0.7
83.04980	1.2
85.02905	0.8
85.06528	0.5
89.03913	4.6
91.05466	1.0
93.03410	1.3
93.07039	1.1
95.04946	0.9
95.08607	0.9
97.02919	1.9
97.89819	0.3
98.21414	0.6
99.04428	0.4
105.07037	0.7
107.04958	4.9
107.08602	1.0
109.02899	0.9
109.06544	0.4
109.10146	1.0
111.00809	3.4
111.04452	4.9
117.03388	6.6
117.04170	0.3
117.07050	0.5
119.04933	0.6
119.08546	0.7
121.02866	0.9
121.06506	0.6
121.10179	0.5
123.04435	8.5
124.07619	0.4
125.02350	1.1
126.09137	0.5
127.03948	2.0
129.01880	0.6
131.04958	0.9
131.08601	0.5
133.10123	0.5
135.04424	21.0
137.02330	0.9
137.05977	1.8
139.03906	5.0
141.06981	0.4
143.11804	0.4
145.02859	8.8
145.06433	0.6
145.10094	0.5
147.04391	0.8
147.08073	0.4
149.02356	3.0
149.06017	0.4
151.03908	2.5
151.09250	0.3
153.01833	100.0
154.02202	0.4
159.04425	1.3
161.06013	0.7
161.09589	0.3
163.03909	52.0
167.03441	0.4
169.06471	0.5
171.02895	15.8
173.06036	0.6
173.13263	0.5
177.05428	0.4
179.03407	5.6
183.04466	0.4
185.13432	0.3
187.03894	1.7
192.78293	0.3
197.05956	0.6
201.05562	0.4
201.12859	0.6
205.04964	1.0
213.05325	0.4
215.07014	2.7
229.05000	0.6
229.12213	0.9
243.06499	2.7
247.06110	0.9
247.13400	0.7
253.04901	0.7
259.05954	0.5
261.07611	0.6
271.06088	3.4
289.07065	63.4
289.25107	0.5
290.07361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02381	0.6
53.03947	1.4
55.01860	1.8
65.03934	2.1
67.05507	3.3
67.26888	0.6
68.99793	3.7
70.03782	1.4
70.04173	1.3
77.00480	0.5
77.03929	1.5
79.05486	1.6
81.03421	0.9
83.01340	1.2
83.05015	0.6
85.02905	0.6
89.03908	3.1
91.05490	0.7
93.03412	2.9
95.04962	5.3
98.21025	1.5
99.83751	0.5
103.05444	1.6
105.03365	2.8
105.04472	0.7
105.07029	1.0
107.04952	2.5
111.00827	1.4
111.04440	6.5
115.05447	1.0
117.03410	3.5
119.04974	0.8
121.02875	0.6
123.04433	100.0
124.04711	0.6
125.80730	0.6
127.03910	4.0
130.06551	0.9
131.04921	3.3
135.04424	25.9
137.02350	0.9
139.03905	31.7
141.07057	0.7
145.02844	4.7
145.06544	0.6
149.02348	1.3
149.05986	1.4
151.03905	9.8
159.04425	4.4
163.03914	28.6
169.06471	1.1
173.05988	0.9
175.07437	0.9
177.05499	2.1
179.03455	1.0
179.88950	0.7
185.06000	0.8
186.28352	0.6
187.03862	3.7
197.06017	2.2
199.04018	0.9
201.05460	1.0
203.07094	0.7
205.05002	3.8
211.08664	0.8
215.07137	0.6
225.05536	1.7
229.04993	0.8
231.06592	0.6
243.06575	2.0
245.04428	7.5
253.04971	1.0
259.06049	1.0
261.07596	1.7
271.05963	2.8
289.07065	13.3
289.11658	3.0
312.61038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
55.05499	0.6
63.02387	0.5
65.03923	1.1
67.01875	3.3
67.05486	1.1
68.19890	0.4
68.99784	3.4
69.03426	2.3
69.07055	0.9
69.61005	2.3
71.04978	0.4
71.88836	0.5
73.12299	0.5
77.03932	0.5
77.10387	0.4
79.05457	1.4
81.03392	0.7
81.07033	1.3
83.01306	0.6
83.04970	0.7
85.02913	0.7
85.06538	0.7
89.03925	5.4
91.05466	2.8
93.03393	0.9
93.07029	1.6
94.91147	0.5
95.04963	1.0
95.08583	1.1
96.08099	1.3
97.02877	2.0
98.21336	1.4
103.05406	0.5
105.07001	1.3
106.06564	0.6
107.04925	1.9
107.08575	1.1
109.10122	0.7
111.00837	2.3
111.04450	3.8
117.03388	8.4
118.06525	2.2
120.08129	4.5
121.02847	0.5
121.10129	0.9
123.04432	6.1
123.11655	0.5
124.07617	4.2
125.02344	0.6
127.03889	1.4
128.54123	0.5
131.08548	0.5
133.10097	0.5
134.05997	2.4
135.04428	15.9
136.07600	2.3
137.02321	0.7
137.06024	0.6
138.05470	1.0
139.03928	3.2
145.02863	10.5
146.05984	2.0
147.06830	1.2
147.07907	0.5
147.11632	0.6
148.07558	4.6
151.03883	1.6
153.01839	100.0
154.02223	0.9
155.02283	0.5
159.04404	0.9
161.06004	0.7
163.03918	60.5
164.07080	38.3
165.07881	0.6
166.08644	1.9
167.02245	0.5
171.02913	5.8
179.03432	5.7
183.11786	0.8
187.03920	1.8
197.05858	0.5
205.04987	1.6
215.15517	1.1
216.10249	1.5
239.57074	0.5
243.14954	2.5
245.16641	1.3
247.06134	0.7
247.13295	1.1
253.13507	0.5
271.06110	2.8
271.14441	8.1
271.17184	0.6
288.18839	0.6
289.07062	77.9
289.15479	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	288.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75242	1.4
53.03951	1.6
55.01871	1.7
55.44821	1.5
57.03447	1.9
59.86382	1.4
61.02951	2.3
65.03928	3.5
68.99760	2.7
69.03429	6.8
70.06593	2.2
71.04949	1.6
71.56773	2.2
72.08166	1.7
74.06082	9.5
79.05523	1.7
81.03429	3.5
81.07079	1.8
84.04504	3.4
85.02917	26.8
86.09730	1.4
89.03880	1.7
91.05487	100.0
93.03405	1.5
95.04987	2.0
97.02903	15.4
98.06061	2.1
102.05528	4.0
107.04950	2.8
109.02877	4.9
111.04469	7.5
115.03920	2.3
116.07122	7.4
120.06593	2.0
123.04445	13.7
124.07555	2.1
126.05522	1.8
127.03909	10.8
131.04918	2.0
135.04420	28.2
139.03915	11.4
144.06560	4.6
145.04935	7.1
149.02309	1.6
151.03853	4.3
153.01842	4.2
161.04536	1.4
163.03920	6.0
176.50903	1.5
180.08521	1.5
190.36159	1.4
190.59540	1.5
198.13898	1.4
213.05426	1.5
215.07024	2.4
243.06555	3.3
246.04822	1.7
261.07571	1.8
270.13376	1.6
288.05902	11.4
288.09976	9.2
288.14340	2.6
289.03638	3.2
289.07492	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	289.0705
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.02406	0.4
55.01860	0.7
55.05500	0.5
59.76190	0.4
65.03927	1.3
67.01862	3.2
67.05498	1.0
68.99805	2.8
69.03442	2.0
69.07056	1.1
71.04978	0.4
71.08544	0.9
78.73409	0.4
78.86791	0.4
79.05499	2.1
81.03410	1.1
81.07038	1.4
83.01338	0.6
83.04959	0.5
85.02886	0.6
85.06531	0.5
89.03917	5.3
89.35711	0.4
91.05469	2.3
93.03410	1.0
93.07030	1.3
94.06557	0.5
95.04971	1.0
95.08592	1.2
96.08109	0.6
97.02882	1.6
105.07009	0.7
106.06580	0.6
106.85378	0.3
107.04977	2.4
107.08585	1.2
108.08125	0.7
109.06506	0.4
109.10160	0.8
111.00804	2.7
111.04440	3.5
117.03388	8.3
118.06564	1.4
119.08636	0.6
120.08119	4.1
121.02865	0.7
121.10135	0.5
123.04430	7.7
123.11682	0.4
124.07578	3.1
126.09136	0.5
127.03943	1.8
129.07042	0.4
131.04878	0.7
133.10141	0.7
134.06049	1.9
135.04417	19.5
135.08061	0.6
136.07527	2.3
137.02278	0.6
137.05962	1.0
138.05499	0.7
139.03918	4.7
141.07056	0.5
145.01744	0.8
145.02863	11.2
145.04002	0.8
145.10114	0.5
146.06006	1.3
147.06830	0.5
148.07581	3.6
149.06084	0.4
149.09546	0.4
151.03946	2.5
152.07083	0.5
153.01836	100.0
154.02171	1.0
155.02263	0.4
159.04388	1.1
161.06006	0.6
163.03915	59.9
164.07076	32.4
166.08659	1.0
171.02902	6.2
177.05598	0.9
179.03401	6.1
179.07045	0.6
187.03874	2.2
197.05963	0.7
201.05612	0.4
205.04988	1.6
208.82147	0.4
215.15524	0.5
216.10286	0.8
231.06529	0.5
243.06448	0.5
243.14993	1.4
247.06062	0.7
253.05124	0.6
253.13445	0.5
254.11789	0.7
261.03940	0.5
261.07397	0.6
271.06070	3.5
271.14435	6.2
271.17120	0.6
289.07077	75.8
289.15451	22.0
290.07318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
57.03430	0.3
65.03942	0.4
65.86924	0.2
67.01842	0.3
68.99786	2.4
69.03420	0.7
69.44539	0.5
69.44962	1.2
71.04984	0.2
79.05489	1.3
81.03405	0.7
81.07038	0.7
81.28462	0.2
88.77566	0.2
91.05496	0.5
93.07049	0.3
95.04990	0.4
98.21449	0.5
103.05461	0.7
105.03384	1.3
105.07020	0.5
107.04283	0.3
107.04960	4.1
107.08591	0.3
109.02873	0.7
111.00816	1.9
111.04421	0.5
115.05437	0.6
117.06949	0.3
119.04882	0.4
121.02876	6.9
121.03841	0.3
123.04414	0.4
125.02325	0.5
127.03925	0.3
128.06178	0.2
131.04988	0.3
133.02867	0.9
134.03581	0.3
135.04378	0.4
135.08052	0.8
136.07603	0.6
137.02342	2.3
137.05991	0.3
141.06981	0.4
145.06470	0.6
147.04427	1.3
147.11659	0.3
151.07574	0.4
153.01839	11.0
155.22215	0.3
157.06473	1.1
161.06020	0.3
163.03934	0.3
163.07555	2.1
165.01848	3.8
167.07056	5.1
167.08388	0.2
168.12315	0.2
171.04422	0.7
175.03841	0.3
183.02888	1.6
185.05910	1.1
195.08138	0.4
195.10161	1.3
199.04042	0.2
203.07095	0.4
213.05447	3.1
213.11220	1.7
216.04362	0.3
223.04128	0.2
227.10686	0.5
231.06540	1.4
241.05014	1.8
243.06317	0.3
255.10231	0.5
258.05310	1.9
259.06036	0.7
269.04309	0.3
269.09250	0.4
287.05508	100.0
288.05807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1641
Annotation	Arohynapene B
Peak:m/z	Relative Intensity
52.80508	2.1
53.03926	3.2
54.33292	2.1
55.01857	6.7
55.05507	11.1
56.35297	2.1
57.03412	2.9
57.07041	3.3
67.01884	1.9
67.05221	2.1
67.05508	22.5
68.48337	2.0
68.99790	20.2
69.03410	2.7
69.07072	11.5
70.76093	5.5
71.01320	2.2
79.05061	3.2
79.05497	43.0
81.03429	3.3
81.07059	32.4
83.04971	5.9
83.08612	6.4
85.02872	2.3
85.12076	1.9
91.05479	53.7
93.07047	42.6
95.04967	6.2
95.08605	13.8
97.06536	15.2
98.21124	2.4
98.98441	2.9
105.07031	69.5
107.04982	4.6
107.08601	39.7
109.06499	5.1
109.10197	10.5
111.00819	22.7
111.04438	11.3
115.05521	2.7
117.07024	17.7
119.08586	67.7
121.06483	5.7
121.10132	15.4
123.04442	5.9
123.08086	3.8
125.05922	2.6
128.06229	3.4
129.06990	14.9
131.04939	2.5
131.08577	17.5
133.06538	3.7
133.10135	43.3
135.08067	10.0
135.11678	7.9
137.05914	3.3
139.03893	33.9
141.05472	8.7
141.06956	2.4
143.08569	21.5
145.10164	11.3
147.08031	8.3
147.11693	7.2
149.05983	5.5
149.09621	25.1
149.13278	4.9
153.05489	4.4
155.08597	6.5
156.09311	4.5
157.06549	3.1
157.10149	16.6
159.08119	2.9
159.11679	17.1
161.06003	4.8
161.09706	9.9
161.13263	87.2
163.07469	2.4
163.36064	2.2
165.05515	10.4
165.06873	2.6
165.09128	5.3
169.10098	3.2
170.10851	2.4
171.08061	6.3
171.11678	10.3
173.09615	2.5
173.13271	3.0
175.11154	3.5
175.14839	5.0
179.07047	8.6
181.08650	3.1
181.10167	4.9
183.08057	2.4
183.11664	7.3
183.47391	2.0
185.09642	8.9
185.13254	70.0
189.09135	3.8
191.07007	3.0
191.10626	3.8
193.08640	3.9
195.11678	3.3
197.13281	6.0
199.11203	4.7
199.14819	21.8
203.14291	15.6
209.09636	2.2
209.13254	7.0
213.09108	2.8
213.12865	3.1
213.16391	8.0
223.14827	10.4
225.16362	2.5
227.10678	5.1
227.14308	39.3
231.10283	3.0
241.12418	4.3
241.13432	2.5
241.15858	31.1
241.19463	7.5
243.17528	6.0
245.11685	4.0
245.15462	3.5
251.14317	8.9
257.09906	2.0
259.13330	6.8
269.12448	2.3
269.15387	58.8
287.05542	20.3
287.13239	6.0
287.16431	100.0
287.19955	10.8
287.23358	4.4
287.31335	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	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01848	0.1
65.03927	0.4
67.01846	0.2
68.99439	0.1
68.99792	2.1
69.03405	0.3
69.60059	0.7
79.05476	0.4
81.03398	0.4
91.05491	0.2
93.03401	0.1
95.04950	0.4
97.02847	0.2
98.20763	0.2
98.21410	0.2
103.05444	0.3
105.03403	0.8
105.06995	0.2
107.04962	1.1
109.02873	0.7
110.45566	0.1
111.00811	1.6
111.04424	0.3
115.05461	0.3
117.06999	0.1
119.04912	0.3
121.02869	6.9
125.52250	0.1
127.03918	0.2
129.07013	0.5
133.02855	1.0
135.04396	0.6
135.08023	0.2
137.02344	2.1
137.06085	0.1
141.06979	0.3
145.06494	0.6
147.04431	1.4
151.03981	0.1
153.01831	11.0
157.06500	1.5
161.02345	0.1
161.05974	0.3
163.03909	0.1
165.01842	3.4
165.03239	0.2
169.06448	0.2
171.04417	0.6
175.03941	0.2
175.07596	0.1
183.02907	1.6
184.05135	0.1
185.05977	1.2
189.05461	0.2
192.87694	0.1
194.02124	0.2
195.08020	0.1
197.06010	0.2
201.05510	0.1
203.03513	0.1
203.07028	0.3
209.45500	0.1
213.05486	3.2
216.04175	0.1
217.04904	0.1
229.04991	0.5
230.05775	0.1
230.62077	0.1
231.06525	1.3
241.04961	1.6
242.05577	0.1
243.06386	0.2
245.04512	0.1
255.10326	0.2
258.05261	2.3
259.05994	0.9
269.04474	0.3
281.12851	0.1
287.05496	100.0
288.05807	1.8
288.08850	0.2
298.53094	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01868	0.3
61.45208	0.1
61.59958	0.2
65.03930	0.3
67.01858	0.3
68.99796	2.4
69.03416	0.3
70.00069	0.1
70.04690	0.4
70.05102	0.4
72.16986	0.2
74.26049	0.2
79.05494	0.6
81.03429	0.4
90.86286	0.2
91.05473	0.2
91.90376	0.2
93.07017	0.2
94.04126	0.2
95.04984	0.5
97.02888	0.2
98.21288	0.3
101.62514	0.1
103.05468	0.2
105.03368	1.0
107.04954	1.4
107.08656	0.1
109.02906	0.8
111.00814	1.4
111.04440	0.4
115.05441	0.3
117.07050	0.2
119.04898	0.3
121.02874	6.7
121.03935	0.4
121.06530	0.2
125.02341	0.2
127.03896	0.3
128.06223	0.3
129.06979	0.3
131.04955	0.2
133.02843	0.9
135.04401	0.5
137.02339	2.4
141.06982	0.3
145.06482	0.7
147.04424	1.5
149.06004	0.2
153.01836	10.8
157.06487	1.2
161.05934	0.5
165.01842	3.5
167.03395	0.3
167.08505	0.2
169.06433	0.2
171.04399	0.6
175.03938	0.3
183.02887	1.7
185.05937	1.2
189.05446	0.4
197.05975	0.4
201.05608	0.2
203.03394	0.3
203.07069	0.4
213.05457	3.5
217.05016	0.2
227.10722	0.3
229.05051	0.5
231.06483	1.4
241.04971	1.8
243.06561	0.2
258.05240	2.3
259.05948	1.0
269.04449	0.4
282.83206	0.2
287.05502	100.0
288.05804	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.6
66.79870	0.5
71.55724	0.7
72.54893	0.4
75.67126	0.5
98.21277	0.6
98.97578	2.0
98.98471	0.8
101.00881	3.1
103.00626	0.6
116.98624	1.8
119.01924	16.4
120.02011	3.0
121.01686	4.4
130.93341	1.0
134.99770	1.8
137.02971	4.6
138.03070	1.5
138.98880	0.4
139.02689	1.5
140.98781	0.6
142.03490	1.4
153.00876	0.8
158.99884	1.0
160.04497	0.6
161.57715	0.5
161.99796	0.7
167.99573	0.6
172.94362	1.0
176.00143	1.9
177.00958	17.7
178.01025	2.0
179.00696	10.5
180.00819	11.2
181.03609	0.5
182.03709	0.5
190.95380	1.5
195.02173	0.6
199.04533	0.9
200.00169	0.6
200.04712	1.7
201.00877	1.1
203.00774	0.7
204.01013	0.8
208.96498	1.1
216.98679	0.6
218.01239	13.6
219.02029	17.3
219.03906	1.4
220.02094	1.7
220.03946	1.7
221.01788	12.1
222.01924	16.8
227.00647	0.7
227.98561	0.6
228.00699	2.3
232.96461	2.0
234.99739	1.0
238.99634	0.8
240.98123	2.9
245.01555	3.1
245.03851	0.6
245.99405	1.2
246.01877	8.2
250.00325	2.9
250.97597	0.8
261.03049	0.8
262.03146	1.8
263.02826	37.3
264.00443	43.1
264.03040	100.0
265.00436	0.8
265.02914	1.8
277.04349	0.8
278.01843	0.8
278.04614	1.7
279.12634	0.7
280.94901	0.6
281.00635	1.5
281.98395	1.1
282.01590	15.0
286.04318	1.2
286.99362	2.3
287.02020	3.0
287.04791	4.4
287.13162	0.6
305.00797	5.3
305.05893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49656	0.1
53.03932	0.2
63.51679	0.1
65.03925	0.4
66.92068	0.1
67.01832	0.3
67.44637	0.1
68.99797	1.8
69.03418	0.3
70.53222	0.4
79.05492	0.6
79.63821	0.1
79.64322	0.2
81.03434	0.3
81.44190	0.1
91.05470	0.2
93.03398	0.2
95.04951	0.3
97.02877	0.2
98.21108	0.2
103.05482	0.2
105.03394	1.1
107.04961	1.2
109.02875	0.8
111.00810	1.6
111.04444	0.3
117.07037	0.2
119.04915	0.2
121.02876	6.9
124.07574	0.2
127.03930	0.3
129.07018	0.4
131.04970	0.1
133.02881	0.9
135.04434	0.4
137.02339	2.1
141.06894	0.3
145.06473	0.8
147.04413	1.2
151.03873	0.2
153.01834	10.6
154.30685	0.1
157.06493	1.8
159.11731	0.1
161.05975	0.4
165.01837	3.3
171.04420	0.8
173.06024	0.1
175.03960	0.2
183.02916	1.8
185.05980	1.0
189.05475	0.2
194.02168	0.2
197.05917	0.2
201.05513	0.2
203.03174	0.2
203.07045	0.4
213.05481	3.1
216.04131	0.2
229.04973	0.4
231.06482	1.2
241.04965	1.4
245.04504	0.2
257.04254	0.2
258.05273	2.3
259.06094	0.8
269.04462	0.3
287.05499	100.0
288.05829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01880	7.2
55.05514	27.6
57.03440	55.4
59.04988	3.0
63.00029	2.1
65.03926	4.0
67.05508	45.7
69.03431	12.6
69.06778	1.1
69.07075	13.9
70.92256	1.8
70.92591	2.5
71.04999	12.0
73.02921	1.4
79.05498	47.2
81.03422	98.3
81.07063	57.2
83.04984	23.3
83.08623	36.2
85.02907	80.1
85.06531	4.0
87.04468	1.7
91.05484	54.1
93.07050	32.8
95.04972	44.6
95.08048	2.0
95.08611	26.7
97.02862	8.2
97.06550	8.9
97.10144	3.7
99.04457	2.0
99.08113	3.8
103.05439	1.8
105.07034	42.7
107.04959	11.0
107.08598	13.8
109.02853	1.7
109.06542	9.2
109.10156	5.9
111.04447	4.5
111.08080	20.1
113.06023	7.8
115.05435	4.0
116.06206	1.8
117.07023	3.2
119.04866	1.8
119.07789	2.2
119.08591	36.1
121.06499	4.0
121.10157	20.2
123.04437	2.9
123.08092	7.9
123.11710	4.1
125.09643	3.3
127.07555	1.7
129.06322	1.2
129.07030	15.3
129.27231	1.3
131.08586	18.4
133.06458	5.1
133.09244	1.6
133.10152	19.3
137.06003	2.6
137.09633	3.7
142.07761	4.9
143.03387	1.7
145.10135	4.0
146.03642	2.0
147.08047	5.0
147.11696	29.7
149.08609	1.8
149.09639	10.7
151.07523	2.6
153.01839	42.5
153.07008	1.9
157.10129	26.4
161.05992	10.4
163.11160	2.2
165.07016	12.7
165.12787	8.7
168.21446	1.3
175.11201	27.4
181.06514	2.8
182.07294	5.2
191.03360	1.3
193.06496	7.7
193.12251	100.0
194.07336	1.4
197.09627	3.2
201.05513	2.6
210.06767	9.1
211.07538	2.4
211.13313	63.2
221.06001	9.8
225.09111	19.3
227.06990	2.3
229.04929	3.5
229.14378	2.9
238.06273	2.5
239.03093	1.3
239.07079	2.9
242.05695	1.5
253.08591	29.2
254.09283	2.4
257.04477	2.6
257.11649	2.3
267.10123	2.4
267.15979	6.8
270.08749	2.6
285.04172	10.0
285.07614	4.1
285.11243	34.5
285.16962	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03952	5.4
55.01869	5.8
55.05513	27.0
57.03442	48.3
57.07074	3.0
59.04975	2.7
61.02911	2.3
67.05507	40.0
69.03450	14.4
69.07062	11.3
71.04275	3.0
71.04997	14.9
75.54939	2.0
79.05500	31.8
81.03423	96.9
81.03913	4.6
81.07062	47.9
83.04992	20.3
83.08621	36.1
84.18855	2.1
85.02909	90.3
85.06535	4.3
91.05483	49.0
91.05918	1.5
93.07050	30.5
95.04979	42.3
95.08610	25.2
97.02898	9.5
97.06550	10.3
97.10152	5.0
98.21201	3.9
99.04449	2.6
99.08099	7.1
105.07030	39.9
105.07668	3.0
107.04956	8.0
107.08624	14.3
109.02922	2.5
109.06527	7.7
109.10157	6.9
111.04468	2.8
111.08076	19.1
113.06019	9.7
115.05434	3.1
117.07074	3.4
119.08587	28.9
121.10152	14.5
122.06085	2.5
123.08093	7.6
123.11676	3.7
127.03951	6.1
128.13612	1.9
129.07010	14.3
130.37665	2.0
131.08594	13.4
133.06525	3.2
133.10133	13.2
137.09581	4.1
142.07802	3.8
145.04985	5.7
147.08110	6.0
147.11708	21.9
149.09671	10.7
153.01860	8.3
157.10135	23.5
163.11143	2.3
165.06870	2.2
165.12793	8.2
175.11179	28.8
176.24380	2.5
179.70518	2.2
193.06432	2.3
193.12248	100.0
211.13306	58.5
221.05957	3.1
225.09169	3.9
229.14226	2.8
241.96906	2.0
253.08667	8.3
267.11157	2.1
267.15958	9.5
285.08072	3.3
285.11566	8.0
285.16980	67.1
285.21930	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01860	3.4
55.05515	9.7
57.03442	9.1
61.77965	0.9
65.03951	0.9
65.95007	0.8
67.05505	11.2
69.03423	3.4
69.07053	4.0
69.44858	6.9
71.04986	2.2
78.38816	0.9
79.05492	12.9
81.03420	100.0
81.07053	15.6
83.04990	7.1
83.08617	22.0
85.02906	8.0
85.06517	1.6
88.49701	1.0
91.05482	18.3
93.07054	8.2
95.04970	30.2
95.08613	6.2
97.02892	5.2
97.06539	1.6
97.10162	2.2
98.21251	3.6
99.08102	1.6
103.05461	0.9
105.07029	12.9
107.04952	6.9
107.08594	5.4
109.06506	2.5
109.10153	3.0
111.04433	2.0
111.08075	9.7
113.05989	0.8
115.05456	1.5
117.07010	2.0
119.04922	1.2
119.08583	11.3
121.02854	2.2
121.06463	2.0
121.10126	6.5
123.04406	1.8
123.08073	2.4
125.09602	1.1
127.03848	1.3
128.06184	1.1
129.07019	8.4
131.08562	6.4
133.06477	2.9
133.10115	5.0
135.07990	1.1
135.11731	1.4
137.05972	2.2
137.09604	1.8
141.07030	1.0
142.07759	2.7
143.08565	1.3
145.06506	1.0
145.10115	2.5
147.04474	1.1
147.08060	1.9
147.11699	9.2
149.09618	4.0
152.06282	1.1
153.01836	15.3
153.06877	1.5
154.07817	1.2
157.10136	11.3
161.05988	5.7
165.06996	7.9
165.12802	1.7
171.08049	1.3
175.11203	12.6
179.08499	1.6
181.06493	2.2
182.07262	3.8
187.03925	1.1
191.03282	1.1
193.06526	5.5
193.12254	48.8
197.09644	1.7
199.07529	1.0
201.05504	1.1
207.08014	1.7
209.06001	1.6
210.06792	4.1
211.11298	1.5
211.13263	10.5
213.16272	0.9
221.06032	7.5
224.08397	1.5
225.09119	9.1
227.07037	1.6
229.05005	4.0
235.07410	0.9
238.06133	1.6
242.05728	1.7
249.14854	1.1
252.07773	1.3
253.08620	12.6
254.09221	1.0
255.06726	1.0
257.04486	4.3
267.10223	4.3
267.15924	10.4
269.04434	2.2
270.05170	2.5
270.08951	1.6
285.03897	13.5
285.07626	12.6
285.11230	18.9
285.16913	5.7
285.21979	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05931	1.5
53.03933	6.0
55.01852	6.2
55.05511	28.2
57.03440	54.8
57.07071	1.8
59.04993	3.0
59.76893	2.1
67.05510	42.9
69.03422	6.0
69.07063	13.8
69.41576	5.1
69.41994	7.6
71.05008	9.9
77.89400	1.7
79.05059	2.2
79.05493	38.1
81.03423	94.8
81.07061	58.8
83.04981	23.2
83.08624	35.6
84.41972	1.7
85.02908	100.0
85.06540	3.5
88.24173	1.6
91.05487	58.2
93.07043	30.7
95.04975	49.2
95.08605	23.3
97.02878	5.6
97.06487	5.8
97.10140	6.5
98.20708	3.4
98.21391	5.0
99.08058	3.1
105.07033	37.3
107.04948	7.1
107.08607	14.1
109.06527	8.1
109.10130	5.1
111.04404	5.9
111.08081	24.4
113.05990	7.0
115.05486	2.0
117.07021	4.3
119.08581	30.2
121.06442	2.2
121.10149	21.1
123.08037	4.1
123.11662	5.0
125.09718	2.5
127.07508	2.0
129.07028	15.4
131.08586	20.7
133.06487	4.5
133.09341	1.6
133.10135	15.4
137.09593	3.4
142.07716	4.9
145.10100	7.1
147.08044	3.8
147.11697	29.3
149.09628	10.7
155.08588	2.0
157.10139	23.6
159.11731	2.2
165.06941	1.8
165.12720	6.3
171.01384	3.5
173.09642	3.2
175.11198	31.9
193.12251	98.6
211.13307	79.6
239.17920	2.2
253.08568	2.1
285.07849	3.2
285.11230	5.8
285.16913	67.4
285.22064	7.0
285.32993	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73302	2.2
53.03946	4.9
55.01857	5.7
55.05513	27.9
57.03437	58.2
57.07074	3.1
59.04980	2.3
63.53135	2.2
65.57530	1.8
67.05172	2.8
67.05506	44.2
69.03424	4.0
69.07069	11.8
69.42912	2.1
69.99075	9.9
71.04989	12.8
71.05299	2.2
72.98327	2.2
79.05490	38.4
81.03417	82.9
81.07056	51.1
83.04984	23.6
83.08614	34.5
85.02906	88.3
85.06556	4.7
89.23340	2.0
91.04958	3.9
91.05481	47.5
93.07042	30.6
95.04968	36.9
95.08601	17.9
97.02864	5.2
97.06527	8.3
97.10138	5.1
98.20865	3.9
98.21464	4.0
99.08086	2.3
105.07029	40.7
107.04965	6.0
107.08574	11.5
109.06527	8.0
109.10159	7.1
111.04456	2.5
111.08082	19.0
113.05988	6.5
115.05436	2.3
119.08585	26.4
121.10149	14.4
123.08038	5.8
123.11670	5.3
129.06992	14.9
131.08557	16.6
133.06514	3.9
133.10144	14.2
137.09647	2.5
139.52194	2.3
145.10129	3.6
147.08049	4.0
147.11691	24.1
149.09654	11.1
157.10124	22.3
157.44046	2.3
163.11052	2.8
165.12772	7.4
175.11176	26.7
193.12242	100.0
211.13301	70.0
274.42703	2.6
285.16959	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01857	6.6
55.05262	2.6
55.05508	32.0
56.54483	1.5
57.03437	60.7
67.05168	3.6
67.05505	49.8
69.03407	5.8
69.07076	12.3
69.26208	9.6
69.26633	7.9
71.04999	13.0
79.05490	40.9
81.03418	97.9
81.07059	54.2
83.04984	24.2
83.08619	36.3
85.02905	96.8
85.06531	5.3
91.05481	61.2
93.07041	33.3
95.04972	43.0
95.08604	25.4
97.02876	6.1
97.06513	8.2
97.10161	5.4
98.21142	9.5
99.08076	3.0
105.07031	40.0
107.04950	7.7
107.08594	13.8
109.06514	8.8
109.10142	5.6
111.04432	5.8
111.08092	24.2
113.06006	8.7
115.05415	3.7
117.07051	2.4
117.15808	1.6
119.08593	32.7
120.05711	4.5
121.06511	2.3
121.10158	17.8
123.08086	5.3
123.11708	3.9
125.09680	2.7
129.07018	19.2
131.08583	21.9
133.06558	3.9
133.10126	19.4
142.07764	3.3
145.10175	2.7
147.08064	3.7
147.11702	27.0
149.09619	11.6
157.10138	19.0
163.11241	2.2
165.12752	6.6
167.06992	2.3
175.11186	31.3
179.07088	3.6
193.12244	100.0
211.13290	67.8
248.59958	1.9
285.11475	3.8
285.17004	64.3
285.21887	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
53.40810	2.2
53.76361	2.0
55.01878	4.8
55.05511	24.9
55.91951	2.1
57.03441	57.7
57.07071	4.9
57.20934	1.9
59.05003	3.3
60.04511	3.8
67.05505	52.2
69.03416	6.5
69.07069	16.8
69.28852	16.1
71.04995	13.8
79.05056	3.7
79.05491	48.1
79.05952	2.9
81.03416	92.2
81.06575	2.9
81.07059	57.2
82.17557	2.2
83.04969	21.6
83.08619	36.7
84.96910	1.8
85.02907	90.6
85.06542	4.8
91.05482	61.7
93.07037	30.4
95.04974	44.0
95.08612	26.5
97.02894	5.0
97.06536	7.4
97.10145	5.8
98.21130	10.5
99.08059	3.7
101.10133	2.2
105.07036	39.9
107.04943	8.1
107.08591	13.3
109.06507	8.5
109.10155	6.9
111.00814	2.4
111.04434	3.8
111.08083	21.1
113.05997	8.0
115.05424	3.1
117.06998	7.3
119.08581	35.1
121.06541	2.9
121.10137	22.2
123.08082	3.9
123.11727	5.4
129.07010	18.2
131.08592	20.1
133.06526	3.0
133.10133	20.1
135.11763	2.3
137.09590	3.8
139.03912	15.4
139.79602	2.2
142.07791	4.2
145.10109	6.7
147.08043	7.4
147.11694	24.9
149.09622	11.4
153.05382	2.8
157.10168	20.2
159.11607	3.9
163.03883	3.9
165.05550	2.6
165.12770	7.9
171.01373	2.3
175.11183	33.8
177.05551	2.7
189.05394	3.1
191.07018	4.5
193.12244	100.0
203.07036	6.4
211.13313	62.8
217.08545	3.7
285.17194	55.5
285.22037	4.9
285.29807	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01863	3.3
55.05514	26.1
57.03440	57.6
57.07064	3.3
63.28343	1.8
65.03948	2.1
67.05510	46.0
69.03432	8.1
69.07072	13.3
71.01285	1.5
71.04991	12.2
79.05496	40.0
81.03423	89.2
81.07064	52.7
83.04990	19.5
83.08146	2.4
83.08624	38.1
85.02909	95.1
85.06519	3.8
91.05486	51.8
93.07054	27.4
95.04973	42.2
95.08617	18.7
97.02908	4.3
97.06510	7.3
97.10155	5.4
98.20956	8.5
99.08035	1.8
99.47134	1.5
105.06390	2.8
105.07037	40.7
107.04946	6.6
107.08596	12.0
109.06512	7.3
109.10160	8.0
111.04422	5.8
111.08087	26.7
113.06014	5.7
115.05481	2.9
117.06983	3.6
119.07798	2.2
119.08591	26.8
121.10145	14.7
123.08063	4.8
123.11700	2.9
125.09631	3.0
129.07010	16.1
131.08568	20.0
133.06477	5.8
133.10147	16.5
137.09595	2.9
142.07704	2.0
145.10107	5.6
147.08011	5.9
147.11682	29.5
149.09639	9.4
157.10153	24.3
159.11766	1.9
165.12758	8.3
175.11186	32.6
193.12254	100.0
205.05031	2.9
211.13303	76.8
229.14499	1.9
285.13995	3.2
285.16953	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17223	1.1
50.23740	1.6
53.03934	4.0
55.01866	4.0
55.05264	1.6
55.05515	29.5
57.03442	53.1
59.04995	1.9
59.82917	1.1
65.61108	1.2
67.05508	38.3
67.05867	1.9
69.03428	8.3
69.07063	13.2
71.01329	1.3
71.04999	12.2
79.05497	36.4
81.03423	86.8
81.07064	45.4
83.04978	17.2
83.08626	35.9
85.02911	89.9
85.06541	2.6
90.99259	1.1
91.05482	42.8
93.07051	21.5
95.04975	42.3
95.08611	16.8
97.02899	4.8
97.05994	1.2
97.06516	6.7
97.10168	4.0
98.20771	2.6
98.21457	3.8
99.04477	1.2
99.08086	2.4
103.05473	1.5
103.22995	1.2
105.07039	34.0
107.04970	7.2
107.08610	11.4
109.06530	7.6
109.10158	5.7
111.04436	4.3
111.08095	22.4
113.06037	8.2
115.05473	2.1
117.07016	2.1
119.08598	25.7
121.06483	2.9
121.10146	14.9
123.08060	4.1
123.11713	4.5
125.09663	1.1
129.07024	15.0
130.63414	1.1
131.08583	14.6
133.06482	3.1
133.10129	14.0
135.08118	1.2
137.06039	1.1
137.09567	2.4
142.07780	2.8
147.08047	4.5
147.11700	25.3
149.09625	9.0
154.07701	1.1
157.10129	21.7
161.05972	2.8
165.07050	3.8
165.12772	7.4
175.11200	24.8
181.06595	1.1
182.07140	2.0
183.29428	1.1
186.07616	1.2
193.06487	2.8
193.12256	100.0
193.83080	1.2
200.14537	1.1
210.06827	2.5
211.13307	80.6
221.05989	5.6
225.09125	4.8
238.06250	2.3
243.92644	1.1
253.08611	12.5
267.16058	1.4
285.07846	1.8
285.11194	5.6
285.16980	54.5
285.21899	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01876	5.2
55.05515	31.7
57.03441	57.4
57.07083	3.8
63.00035	3.1
65.03934	4.2
67.05505	43.4
67.80247	2.3
69.03430	5.7
69.07071	15.2
69.36623	3.6
69.37028	18.2
71.04991	14.2
79.05492	43.6
81.03421	100.0
81.07062	56.0
83.04988	27.0
83.08623	44.8
85.02908	95.5
85.06541	4.1
91.05487	53.8
93.07048	34.8
95.04974	50.1
95.08599	22.5
97.02874	3.2
97.06528	8.1
97.10171	6.1
98.20959	10.1
103.52945	2.3
105.07031	51.2
107.04966	6.4
107.08590	16.6
109.06531	12.4
109.10147	7.3
111.04455	3.2
111.08090	21.8
111.32684	2.5
113.06013	8.1
115.05509	2.8
117.07008	5.1
119.08586	34.6
121.06529	3.9
121.10129	22.1
123.08078	7.5
123.11726	5.2
125.38873	2.5
129.06985	17.3
131.08568	28.2
133.10149	19.0
139.03873	4.0
142.07852	5.0
145.10144	6.2
147.08015	5.0
147.11673	32.9
149.09630	9.8
157.10130	25.5
159.11678	3.1
175.11168	35.2
193.12250	98.5
207.75302	2.6
211.13295	73.5
216.75298	2.6
239.18076	3.0
285.11508	4.7
285.14124	4.4
285.17001	70.9
285.22211	6.1
285.25708	5.3
285.29749	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01860	5.8
55.05515	27.2
55.19038	1.6
55.49012	1.5
57.03437	57.2
57.07060	2.8
59.04986	2.3
65.03931	2.3
66.81629	1.6
67.05172	2.5
67.05507	46.8
69.03406	6.0
69.07072	13.3
69.89458	5.7
71.04991	12.0
79.05070	3.2
79.05495	37.7
81.03419	89.6
81.07059	56.4
81.10715	1.7
83.04977	22.4
83.08138	2.0
83.08621	34.9
85.02906	94.4
85.06531	2.9
85.57146	1.5
91.05483	48.2
93.07045	34.9
95.04977	44.1
95.08613	18.7
97.02886	5.6
97.06525	7.9
97.10168	3.5
98.21230	4.4
99.08106	2.5
103.03960	1.5
105.07043	38.2
107.04934	7.0
107.08621	15.3
109.06499	6.9
109.10133	5.4
111.04427	5.3
111.08083	21.6
113.06015	10.3
115.05453	2.1
115.19888	1.5
117.06995	4.0
119.07792	2.4
119.08579	33.4
119.54230	1.5
120.05673	1.9
121.10151	17.7
123.08047	4.7
123.11668	3.2
125.09637	2.5
129.07011	13.6
131.08574	18.1
133.06467	3.1
133.10133	16.5
135.11551	1.5
137.09554	3.8
142.07831	3.8
145.10088	6.4
146.40790	1.7
147.08035	6.6
147.11685	26.8
149.09607	9.0
157.10132	22.6
159.11711	1.9
165.12715	5.3
171.01477	2.0
175.11192	29.3
193.12253	100.0
194.30707	1.8
202.12570	1.5
211.13300	75.1
256.65424	2.0
267.15982	2.2
285.07349	1.6
285.11597	3.6
285.16934	64.9
285.22046	3.9
285.25607	2.6
285.33212	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.7
55.01851	4.3
55.05264	1.7
55.05513	21.9
57.03439	46.4
57.07063	1.3
57.68792	1.3
65.03921	2.5
67.05171	2.2
67.05503	30.7
67.49371	1.0
69.03434	6.1
69.07064	9.3
69.88907	4.9
69.89307	2.3
71.05001	9.6
79.05492	33.1
81.03421	87.4
81.07060	45.1
83.04990	19.8
83.08618	34.3
85.02905	85.4
85.06522	3.6
91.05483	37.8
93.07043	30.7
95.04969	38.4
95.08603	15.5
97.02880	3.1
97.06516	6.3
97.10184	6.0
99.08047	1.3
103.05458	1.2
105.06381	2.2
105.07032	32.7
107.04974	7.1
107.08591	12.2
109.06501	8.0
109.10162	6.2
109.45689	1.3
111.04430	3.8
111.08082	20.5
113.05990	5.4
115.05443	1.7
117.06995	2.7
119.07790	2.0
119.08590	27.1
121.06497	1.6
121.10143	15.4
123.08054	4.1
123.11700	4.9
125.09595	1.5
127.07626	1.5
129.06990	12.3
131.08580	15.1
132.34552	1.2
133.06474	4.4
133.10133	12.9
135.11662	2.2
137.09596	2.0
142.07758	3.1
144.09232	1.3
145.10120	1.5
147.08011	4.2
147.11694	23.9
149.09616	10.9
154.07706	1.2
157.10115	23.0
161.05966	3.5
165.07014	6.7
165.12793	6.0
175.11200	24.0
181.06467	1.6
182.07199	1.4
193.06454	4.6
193.12242	100.0
206.66933	1.2
210.06799	3.0
211.13301	77.6
221.05975	7.0
225.09094	7.8
234.97209	1.3
238.06293	3.1
253.08620	24.6
254.09335	2.1
267.15952	1.7
285.07922	2.2
285.11240	10.1
285.16943	58.3
285.22043	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01853	4.4
55.05515	25.6
57.03440	47.4
64.35560	1.5
64.67645	1.5
65.03927	1.3
67.05175	2.1
67.05508	35.8
69.03427	6.8
69.06725	1.2
69.07068	14.9
69.97903	4.9
71.04996	11.3
79.05064	2.2
79.05492	32.3
81.03420	87.7
81.07058	51.2
83.04987	17.2
83.08139	2.5
83.08618	35.6
85.02908	82.0
85.06520	5.1
87.04430	2.1
91.05479	46.0
93.07050	27.4
95.04974	41.0
95.08154	1.1
95.08615	16.2
97.02874	5.6
97.06547	8.3
97.10141	4.7
99.08078	3.1
103.05451	1.4
105.07032	37.0
107.04958	7.1
107.08605	13.8
109.06531	10.4
109.10188	6.3
111.04417	3.9
111.07375	1.4
111.08083	19.7
113.06023	6.8
114.28506	1.1
115.05426	2.5
117.06990	3.5
118.24920	1.2
119.04903	1.3
119.08585	33.0
121.02825	1.5
121.06456	2.2
121.10145	18.4
123.04477	1.8
123.08034	5.7
123.11707	7.5
125.09647	3.3
128.06206	1.8
129.07021	13.9
131.08568	13.2
133.06448	4.1
133.10135	14.5
137.09560	2.7
142.07739	3.5
143.08522	1.6
145.10100	4.6
146.03564	1.3
147.08034	4.6
147.11699	32.1
149.09627	9.1
151.07494	1.5
151.11203	2.3
153.01755	3.8
157.10138	20.9
159.11719	1.5
161.05983	10.3
165.07007	10.8
165.12761	10.1
169.10161	1.8
175.11188	25.1
178.07817	1.4
179.08537	1.5
181.06485	2.2
182.07245	5.1
183.11687	1.6
183.13914	2.8
185.13245	2.4
193.06560	10.9
193.12253	100.0
197.32187	1.2
210.06787	11.7
211.13301	75.1
221.05980	12.1
225.09135	17.7
227.06947	3.1
238.06293	3.6
246.12344	1.3
253.08618	40.7
254.09076	3.1
267.15802	1.7
270.08859	2.2
285.07581	6.1
285.11154	26.3
285.16919	62.7
285.22067	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01873	1.8
55.05504	4.0
55.47049	0.7
56.05006	0.7
57.07066	2.7
65.03929	0.9
67.01846	1.0
67.05495	2.9
67.51461	0.7
68.66116	0.7
69.03424	2.0
69.52128	5.6
71.04985	1.8
74.02434	1.9
79.05502	6.9
81.03414	3.6
81.07053	13.4
83.04967	1.3
83.08611	1.9
85.02903	1.0
91.05483	5.2
93.07057	2.6
95.04966	3.0
95.08620	3.4
97.02888	1.2
98.09689	0.8
98.20860	1.6
99.04440	0.8
99.08145	1.0
100.11270	1.1
103.05495	1.1
105.07048	5.6
107.04945	2.6
107.08599	2.3
109.02885	1.1
109.06504	1.7
109.10155	1.5
115.05441	1.4
117.05797	0.9
118.06543	5.0
119.04950	2.5
119.08586	1.5
121.02864	2.4
121.10123	1.4
123.04396	1.3
123.08089	1.4
127.03916	1.1
129.07008	2.4
130.06531	20.2
131.07304	1.3
131.08559	2.2
132.08118	2.4
133.06491	2.0
133.10118	1.5
135.04404	3.0
137.06001	1.2
142.08655	1.7
143.07323	3.7
144.08081	17.9
145.02939	1.5
145.10083	1.8
146.03636	1.2
146.06007	8.5
147.04428	1.7
147.11604	0.9
149.05937	0.7
151.07581	1.0
153.01851	6.9
153.06958	1.4
154.06520	4.4
154.07672	1.6
155.07329	1.8
155.08534	1.1
156.08118	4.7
156.10217	1.2
157.10216	0.9
158.05997	1.8
159.11736	0.8
161.06001	6.8
163.03929	2.5
165.01871	1.0
165.07057	10.0
166.07819	1.0
167.03419	5.1
167.07297	14.3
167.08612	1.5
168.08090	57.5
169.07610	1.1
169.08865	2.4
170.06052	1.5
170.08395	1.1
170.09584	4.0
170.18008	0.9
173.06003	1.0
179.07236	1.0
180.08084	62.9
181.06532	2.7
181.08792	5.1
181.10204	0.9
182.07318	3.9
182.09686	5.4
183.11728	1.3
188.07057	8.5
191.03406	12.2
192.08035	1.6
193.06485	10.0
193.08882	9.7
194.06015	3.0
194.09639	14.3
195.10374	1.5
196.11269	1.8
197.06006	1.7
197.09628	1.3
198.12744	1.9
200.07117	1.6
202.08774	1.4
206.09660	2.1
207.08783	0.9
207.10353	4.2
208.07759	2.1
208.11220	33.5
209.05917	0.8
209.11958	1.3
210.06760	8.5
210.12761	2.4
211.07565	1.8
211.13356	1.4
212.07057	3.0
212.14362	7.7
213.07838	4.0
221.05969	11.7
221.08125	0.7
222.06877	1.3
222.12784	24.1
223.16789	0.9
224.14359	2.9
225.09114	17.4
226.08656	2.4
226.12125	1.5
227.07031	1.2
237.05598	1.1
238.04172	0.9
238.06184	4.4
239.07034	2.9
239.09366	1.0
242.05670	1.0
243.06551	2.4
243.74107	0.8
250.12206	5.0
253.08612	39.3
254.09290	2.4
257.08145	1.0
268.13324	100.0
269.13681	1.5
270.08853	2.7
285.07587	58.9
285.11185	23.8
285.15805	6.6
285.17902	0.8
285.18787	1.2
285.22079	1.9
286.07904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.01872	0.6
55.05513	0.5
57.03431	0.7
65.07817	0.4
67.05498	1.0
69.03430	0.7
69.07052	0.5
71.56590	0.7
79.05482	1.2
81.03406	0.7
81.07049	1.9
83.04990	0.7
85.02920	1.0
91.05482	1.8
95.04974	1.1
95.08620	0.8
97.06518	0.6
98.21124	0.6
103.05463	0.9
105.07055	3.9
107.08638	0.6
111.95810	0.4
115.05486	1.2
118.04202	0.6
119.08575	1.0
121.10074	0.6
123.04434	1.1
128.06252	0.5
131.04965	0.5
131.08549	0.4
133.06494	1.1
137.05998	2.3
137.55482	0.4
141.06999	0.6
143.08551	0.6
144.14650	0.4
146.03636	3.5
147.04437	0.8
147.11729	0.9
152.06172	0.5
153.01839	1.6
153.07050	2.1
154.07762	2.3
158.04083	0.5
161.05998	17.1
165.07013	25.2
166.07805	0.7
167.08546	0.8
168.05612	0.6
177.06963	0.8
178.07675	0.6
179.08530	0.8
181.06477	6.0
182.07280	9.7
183.08029	0.9
193.06490	21.0
193.12117	0.6
194.07292	2.6
196.05185	0.7
196.08818	0.6
197.09616	1.8
199.07541	1.2
207.08052	0.7
209.06061	1.6
210.06766	19.3
211.07545	2.4
221.05983	27.3
222.06662	2.3
223.07603	0.5
224.08055	0.5
225.09114	36.2
226.09654	0.9
227.07040	2.9
229.08577	0.9
235.07509	0.6
237.05562	0.6
238.06245	8.5
239.06969	2.7
241.08662	0.9
242.09306	1.0
253.08611	100.0
254.09288	5.8
255.06552	2.3
257.11728	2.0
269.08069	0.6
270.08896	3.9
285.08170	1.8
285.11224	48.7
286.11664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.03948	0.2
53.51435	0.2
55.01875	0.4
56.96561	0.5
57.03429	0.6
59.04989	0.9
60.26440	0.2
61.02917	0.3
65.94241	0.2
69.03425	1.0
70.03627	1.1
70.06581	0.6
73.02886	0.5
81.03404	0.8
85.02904	2.2
87.04493	0.3
91.61318	0.2
97.02891	1.3
98.20903	0.3
98.21432	0.3
98.97588	0.8
99.04447	0.4
101.00889	0.3
103.74435	0.2
107.85064	0.2
109.02872	0.6
109.05136	0.6
110.03538	2.5
110.97570	0.2
112.07658	0.3
116.98650	0.5
119.01923	0.8
127.03917	0.7
127.29564	0.2
128.04549	1.1
135.03026	5.3
136.06180	0.4
136.07574	0.4
138.05452	0.5
143.17990	0.2
145.04977	0.7
152.05681	100.0
153.01917	0.5
153.04082	6.8
153.05295	0.5
153.06035	0.3
154.02437	0.3
161.02931	0.3
173.02809	0.2
185.02954	0.2
197.04616	0.4
210.06804	0.2
219.01917	0.5
221.05113	0.3
249.99631	0.3
261.02954	1.7
279.00696	0.3
284.08109	0.3
284.11493	0.5
284.29404	0.4
284.69736	0.2
303.01450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
52.30714	0.1
53.03949	0.1
55.01869	0.2
55.05507	0.3
56.33690	0.1
57.03436	0.1
57.07064	0.1
58.26600	0.1
63.00038	0.1
65.03936	0.3
67.01860	1.1
67.05489	0.3
68.99787	0.5
69.03421	0.3
69.07054	0.2
70.52312	0.2
71.04971	0.1
79.05505	0.4
81.03429	0.6
81.07067	0.6
83.01348	0.4
83.04965	0.3
83.08610	0.2
85.02898	0.1
86.32500	0.1
91.05489	1.8
93.03425	0.2
93.07042	0.3
95.04955	0.3
95.08617	0.4
97.02884	0.3
98.21088	0.1
99.04477	0.1
99.08096	0.1
100.11250	0.1
101.44766	0.1
105.07028	0.5
107.04923	0.2
107.08550	0.2
111.04463	0.2
115.05437	0.2
118.06516	0.2
119.04949	3.7
119.08599	0.1
121.02869	2.2
121.10133	0.2
123.04442	0.2
125.02382	0.1
127.03867	0.1
129.07025	0.2
130.06552	0.7
131.01151	0.1
131.04921	0.1
132.08075	0.1
133.06488	0.2
135.04504	0.1
137.06012	0.1
138.60559	0.1
141.01753	0.1
141.06999	0.2
142.39371	0.1
143.07283	0.1
144.08072	0.6
145.02846	1.4
145.06538	0.1
146.03647	0.1
146.05991	0.2
147.04384	0.1
147.11682	0.1
149.02327	0.3
151.03972	0.1
153.01837	0.7
153.07019	0.3
154.06577	0.1
154.07758	0.1
155.07382	0.1
155.08540	0.2
156.08128	0.2
157.06653	0.1
157.10165	0.2
161.05994	0.9
163.03922	0.9
165.01848	1.8
165.05612	0.1
165.07002	1.8
167.03407	8.6
167.07274	0.4
168.03723	0.1
168.08092	2.0
169.06493	0.4
170.09689	0.1
180.08073	2.1
181.06514	0.2
181.08865	0.2
182.07269	0.5
182.09702	0.2
183.02905	0.6
185.04454	0.3
187.03920	0.3
188.07086	0.2
191.03397	0.4
193.06482	1.3
193.08916	0.4
193.12279	0.1
194.07430	0.1
194.09668	0.4
195.10448	0.1
196.05150	0.1
197.06004	0.7
201.05606	0.1
207.10420	0.2
208.11237	0.9
210.06786	1.1
211.03903	0.1
211.07555	0.5
212.14362	0.3
213.07727	0.1
221.05971	1.6
222.12770	0.9
224.14470	0.2
225.09108	1.7
226.09148	0.1
227.06784	0.1
229.05037	0.3
238.06256	0.4
239.07054	0.5
242.05774	0.2
243.06534	0.3
247.06068	0.4
248.45663	0.1
250.12329	0.2
253.08606	5.1
254.09244	0.2
255.06572	0.2
257.08124	0.7
257.11853	0.1
267.06427	0.2
267.10071	0.1
268.13330	3.6
270.05249	0.3
270.08701	0.2
283.06012	3.1
284.06686	0.2
285.07587	100.0
286.07944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01867	2.9
55.05515	9.7
57.02353	0.8
57.03433	6.0
57.07079	4.6
59.04979	2.4
65.03947	2.1
67.05168	1.1
67.05510	18.3
69.03080	0.9
69.03429	11.7
69.07070	100.0
69.62288	0.8
71.05003	4.5
71.08610	2.0
71.56327	1.4
79.05497	10.8
81.03405	6.2
81.07063	32.2
83.04992	8.9
83.08636	6.0
85.02914	6.9
85.06535	3.7
86.69836	1.0
87.04473	2.3
91.05487	8.5
93.07053	14.2
95.04973	9.7
95.08611	20.7
97.02898	37.4
97.06531	3.5
97.10179	3.3
99.04439	1.4
99.08104	1.5
105.07039	7.7
107.04961	2.6
107.08598	10.7
109.02885	1.3
109.06525	4.8
109.10156	16.2
111.04468	4.8
111.08089	3.4
111.11690	1.0
113.06038	1.5
114.79986	0.8
115.03920	2.2
115.05448	1.2
117.07019	2.4
119.08574	6.3
121.02872	49.7
121.06499	2.5
121.10149	11.7
123.08045	2.4
123.11716	35.7
125.06046	1.7
127.03922	1.0
128.06223	1.1
129.07063	1.4
131.04947	1.6
131.08560	5.0
133.10138	5.6
134.10437	1.0
135.08015	1.8
135.11685	4.7
137.05972	2.1
137.13280	1.9
139.03896	3.5
143.08568	2.6
145.10124	4.6
147.08089	1.8
147.11687	3.0
149.09627	1.1
149.13258	1.8
151.11194	44.7
152.06232	1.5
153.09151	1.0
153.12682	2.9
155.08527	1.3
156.09264	1.0
157.10168	1.5
159.11729	2.0
161.09641	1.4
163.07516	1.2
163.11147	5.2
163.14825	1.1
165.06995	2.8
165.09105	1.6
167.08611	2.2
169.10158	1.4
171.11687	1.9
173.09589	1.2
173.13240	1.8
175.07602	1.4
175.11169	1.7
175.23709	0.9
177.06956	1.0
177.16454	1.2
181.05002	1.4
181.10080	1.3
181.12230	2.6
183.11766	1.2
187.14836	0.9
189.12767	1.4
191.10670	2.5
194.07224	1.4
195.08139	4.3
197.05943	2.1
201.12660	1.7
208.05283	1.1
209.11745	2.7
219.13934	1.1
222.06818	1.1
223.07545	5.0
224.08369	1.1
225.05521	1.6
227.12794	1.8
235.13376	1.5
237.09079	1.3
237.14743	1.8
240.07861	4.6
240.58557	1.1
247.13278	3.0
247.24258	1.3
251.07082	2.0
255.10173	3.5
265.07108	1.0
265.14343	3.1
265.25180	1.7
268.07333	3.7
283.06470	1.8
283.09659	23.0
283.15289	18.0
283.20590	3.6
283.26114	1.4
290.30057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2632
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03939	1.7
55.01869	4.2
55.05262	1.4
55.05516	23.6
57.03450	7.1
57.07080	100.0
59.05001	2.4
67.05172	1.8
67.05511	28.6
67.13396	1.0
69.07071	29.1
69.77139	6.8
71.04998	9.9
71.08614	3.2
74.57515	1.0
78.45387	1.0
79.05119	1.3
79.05502	13.7
81.03426	4.2
81.07063	49.4
83.01346	3.1
83.04986	5.0
83.08621	22.7
85.02936	1.2
85.06548	88.7
86.18652	1.0
89.06044	2.2
91.05502	6.2
93.07052	19.8
95.04988	3.1
95.08616	69.0
97.02880	1.7
97.06525	4.0
97.10174	8.4
98.20838	2.5
98.21437	2.2
99.08089	2.1
101.09662	2.0
105.07044	4.2
107.04966	3.2
107.08596	13.2
109.06564	2.0
109.10161	61.2
111.04458	2.7
111.11695	2.0
113.09672	5.5
117.07037	4.6
119.08601	4.0
121.06525	1.2
121.10152	11.0
123.08071	2.8
123.11713	31.7
127.11233	10.1
131.08556	1.6
133.10074	1.2
135.11703	15.5
137.09708	1.4
137.13257	4.9
141.12721	1.5
145.06596	1.3
145.10110	9.5
149.09538	1.2
149.13245	4.9
151.14853	1.8
153.12749	3.0
155.08533	1.6
155.14336	2.4
163.11211	13.7
163.14778	3.3
165.16400	23.2
173.09793	1.4
177.16396	2.3
181.12279	4.4
191.10620	2.0
191.17957	13.7
204.69423	1.3
209.11789	4.1
223.20540	2.3
227.12782	9.5
247.24252	8.0
265.25235	1.7
283.15509	11.6
283.20224	1.3
283.26349	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51820	1.8
53.03941	3.7
55.01873	40.1
55.05510	34.2
56.27108	2.2
57.03437	29.8
57.07057	7.1
59.04978	6.4
65.65446	1.8
67.05175	2.9
67.05504	46.0
69.03417	3.9
69.07072	20.9
69.89731	7.9
70.25169	2.1
71.01342	3.8
71.04971	9.5
71.08612	2.8
73.76328	2.1
79.05054	2.9
79.05493	52.3
81.03416	12.3
81.06579	2.5
81.07057	44.6
81.17970	1.9
83.01310	7.4
83.04983	81.7
83.08616	21.7
85.02881	8.3
85.06534	7.7
91.05480	22.3
93.06473	3.1
93.07043	62.8
95.04979	13.9
95.08041	3.0
95.08607	38.3
95.98712	1.8
97.02877	6.2
97.06540	27.2
97.10159	6.1
98.20851	3.4
99.04457	9.4
105.07048	13.9
107.04954	12.6
107.08603	41.4
109.02893	2.4
109.06507	7.5
109.10147	16.7
111.04443	55.7
111.08088	20.7
116.03765	2.1
116.75491	1.8
117.07029	13.6
119.08562	15.4
119.19092	1.9
121.02860	17.5
121.06488	5.2
121.10139	25.3
123.08047	8.5
124.50009	1.9
125.06018	3.2
125.09589	3.4
129.05396	2.0
129.07021	4.3
130.07729	3.1
131.04919	2.7
131.08562	9.4
133.10109	3.1
135.08061	4.1
135.10677	3.3
135.11696	57.5
143.08586	3.3
145.06467	3.4
145.10123	26.3
147.07994	3.0
147.11652	3.5
149.09630	4.8
151.11171	2.3
152.06158	2.8
152.40585	2.0
153.12743	100.0
155.08514	4.6
156.00777	2.1
157.10100	4.1
163.11174	69.1
165.06931	3.6
167.08539	4.0
168.13895	3.7
170.15344	3.9
173.09601	9.7
181.12241	57.1
191.10699	27.2
194.07327	3.3
195.07994	7.8
196.13356	4.6
197.06029	3.0
197.13153	2.3
198.14888	4.7
199.13416	2.2
209.11702	24.8
223.07625	4.9
227.12773	74.9
240.07861	3.9
255.10141	3.2
283.06158	7.3
283.09656	25.1
283.15378	99.1
283.20560	7.1
284.15631	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01876	10.7
55.05265	1.6
55.05512	19.8
57.03437	19.0
57.07070	2.7
67.05505	25.3
69.03413	1.5
69.07073	12.0
69.36178	8.5
69.36582	1.9
71.04984	5.4
73.02906	1.4
77.47276	1.0
79.05500	37.6
81.03410	8.2
81.07062	30.6
83.01343	4.1
83.04980	11.3
83.08617	12.9
85.02921	1.9
85.06561	2.8
89.06049	1.8
89.84926	1.3
91.05482	17.4
93.07047	53.9
95.04521	1.1
95.04982	11.5
95.08611	44.0
97.02885	5.3
97.06532	6.5
97.10223	2.0
98.21181	5.4
99.04475	6.5
100.28184	1.2
103.05416	1.5
105.07038	13.1
107.04967	15.0
107.08598	33.6
109.06537	4.6
109.10148	3.9
111.04463	5.6
111.08123	3.0
117.07031	14.5
119.08598	14.4
121.06501	9.3
121.10149	17.1
123.08047	4.4
125.05965	3.3
129.06998	2.0
130.07791	2.9
131.08517	2.7
133.10130	3.3
135.08070	2.9
135.11702	52.7
139.07507	1.5
143.08591	1.9
145.10127	33.9
153.12752	4.7
155.08571	1.5
158.86601	1.5
163.11183	82.0
171.88350	1.1
173.09624	2.8
181.12241	21.5
191.10703	3.4
209.11710	5.5
227.12784	100.0
228.13060	1.5
283.15411	32.1
283.20432	2.5
285.85779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.79535	1.4
53.03940	9.0
54.72898	1.5
55.01874	43.1
55.05511	69.7
57.03440	69.9
57.07059	5.6
59.05001	10.2
65.03939	4.4
67.05505	47.2
69.03424	4.1
69.07076	11.9
71.01347	4.5
71.04993	13.5
73.65957	1.6
76.64978	1.3
79.05495	68.8
81.02969	2.7
81.03417	33.4
81.06569	3.1
81.07055	59.9
82.85843	1.4
83.01342	39.9
83.04978	46.6
83.08624	37.8
85.02898	12.0
85.06513	3.9
89.06017	5.9
91.05482	38.5
93.07043	84.3
95.04968	21.1
95.08604	25.0
97.02872	4.5
97.06515	15.2
97.10154	6.1
98.20715	3.7
98.21390	6.6
99.04455	7.6
103.05450	4.5
105.07029	32.4
107.04962	25.5
107.08598	36.3
109.06519	20.8
109.10158	6.3
111.04455	7.7
111.08080	6.1
111.11730	2.1
113.06049	1.8
117.07030	23.5
119.08572	26.2
121.06522	11.9
121.10146	26.3
123.04420	2.3
123.08076	33.2
125.06002	7.5
125.09609	5.3
129.06993	4.8
130.07800	4.1
131.04865	2.1
131.08598	12.1
133.10130	7.6
135.08014	4.7
135.11694	44.9
137.09586	4.5
139.07553	3.1
143.08603	3.3
145.10130	51.1
145.11273	2.5
145.84879	1.5
147.07008	1.6
147.08061	7.2
147.11732	2.2
149.09595	2.7
151.11098	1.6
153.12729	11.5
155.08543	3.4
156.09482	1.5
159.11758	1.8
163.11186	83.6
173.09622	13.7
181.12256	14.1
185.45071	1.5
191.10663	13.0
209.11728	28.2
211.84772	1.5
227.12834	13.9
229.67926	1.6
283.15396	100.0
283.24127	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	283.1542
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03931	7.4
55.01880	36.9
55.05516	60.5
57.03192	3.7
57.03442	53.0
57.07065	9.8
59.04992	8.1
67.05508	45.7
69.03435	6.3
69.07054	12.7
69.61254	5.6
69.61665	16.6
71.01342	3.1
71.05004	13.7
71.08627	6.1
79.05502	65.6
81.03418	35.0
81.07066	56.2
83.00969	2.7
83.01347	34.7
83.04991	45.7
83.08629	37.5
85.02892	9.2
85.06552	3.6
89.06022	8.3
91.05487	42.9
93.07052	78.2
95.04981	20.1
95.08601	28.3
97.02903	7.5
97.06532	11.7
97.10155	7.7
98.20808	6.0
98.21443	6.6
99.04456	11.0
105.07043	26.8
107.04968	23.6
107.08591	42.3
109.06520	20.7
109.10178	6.8
111.04454	12.6
111.08082	8.2
117.07059	26.2
117.27919	3.1
119.08576	27.5
121.06518	8.5
121.10139	22.0
123.08077	25.6
125.05972	8.0
129.06999	7.8
130.07712	4.3
131.08554	8.9
133.10121	8.0
134.09660	3.9
135.08072	7.2
135.10037	3.3
135.11702	40.9
137.09615	7.1
139.07483	3.6
145.10127	56.6
147.08026	6.4
153.12730	15.0
155.08499	4.2
157.00485	3.1
163.11191	98.7
173.09619	11.7
177.08926	4.2
181.12206	19.3
191.10675	13.4
209.11755	25.6
227.12833	20.3
283.15408	100.0
283.22488	10.7
283.26294	20.3
284.29556	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01880	4.0
55.05521	4.0
57.03434	1.8
57.07076	3.8
58.03698	0.4
58.04030	0.4
59.04998	2.0
60.38285	0.4
61.02945	0.4
62.32340	0.4
65.03941	1.3
67.05505	8.1
68.40426	0.5
69.03433	17.9
69.03812	1.0
69.07070	100.0
69.94585	2.4
71.01353	2.0
71.04993	1.7
71.08635	0.7
73.02921	1.2
74.14450	0.4
79.05495	3.8
81.03416	2.6
81.07059	25.7
83.04996	4.1
83.08636	2.1
85.02911	7.3
85.06554	1.5
87.04497	0.7
91.05498	2.4
93.07054	5.3
95.04959	3.2
95.08611	9.9
97.02898	13.1
97.03503	0.9
97.06548	1.2
97.10197	1.5
98.20895	1.1
98.21446	0.5
99.04494	0.9
99.08100	0.6
105.07024	2.3
107.04972	0.8
107.08600	4.4
109.02921	1.4
109.06541	3.0
109.10161	7.4
111.04463	1.4
111.08105	0.6
111.20117	0.4
115.03945	5.6
116.37870	0.4
117.07063	0.7
117.99838	0.4
119.06091	0.5
119.08582	1.6
121.02876	29.0
121.06518	0.7
121.10168	3.1
123.08083	1.2
123.11712	29.6
127.03927	1.1
128.06201	0.4
131.04944	0.9
131.08591	0.5
133.10173	1.8
135.11707	2.7
137.05980	0.6
137.13251	0.9
139.03912	2.1
143.08626	0.6
145.10127	2.2
147.11768	0.5
149.09688	0.8
149.13269	0.6
151.11189	42.1
152.06224	1.1
153.06924	0.6
153.12799	0.6
159.11815	0.6
163.11247	1.2
163.14877	0.7
165.07063	1.7
167.08530	0.6
169.06650	0.5
173.09647	0.8
173.13240	0.5
177.07011	1.2
181.12276	0.7
187.11156	0.5
191.10681	0.5
191.18147	0.6
194.07265	1.0
195.08134	1.8
197.05968	0.5
209.11658	0.5
209.33546	0.4
222.06789	0.8
223.07635	1.7
227.12852	1.6
239.07152	0.7
240.07922	0.8
247.24380	0.6
251.07207	1.2
255.10260	0.6
265.14301	0.7
265.25287	0.8
268.07352	1.4
283.06476	0.8
283.09692	8.8
283.15427	5.2
283.20483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Merrillianone
Peak:m/z	Relative Intensity
53.03944	3.4
55.01873	19.1
55.05256	1.9
55.05512	25.9
57.03188	1.4
57.03444	25.0
57.07067	5.4
58.71949	1.2
59.05001	2.2
67.05167	2.0
67.05508	34.3
69.03424	4.5
69.07070	15.0
70.45024	1.4
70.75611	2.5
70.75937	1.7
71.05006	10.2
75.07780	1.2
79.05051	2.5
79.05495	39.4
81.03419	9.8
81.07063	32.0
83.01333	4.0
83.04984	42.3
83.08618	16.5
85.02879	4.1
85.06557	2.9
91.04959	1.8
91.05486	22.2
93.07049	56.3
95.04979	10.9
95.08612	40.6
97.02892	7.5
97.06538	13.3
97.10165	4.1
99.04456	5.7
99.08105	1.8
103.05473	1.6
105.07028	12.6
106.50185	1.4
107.04970	16.2
107.08604	34.5
109.06541	6.6
109.10154	9.8
111.04440	22.4
111.08096	9.9
113.05975	1.4
117.07036	13.0
119.08572	16.0
121.02878	7.4
121.06509	6.7
121.10154	22.1
123.08068	4.1
125.06001	5.2
125.09644	1.5
126.37463	1.5
127.03912	6.1
129.07018	3.9
130.07745	2.1
131.04913	2.7
131.08524	6.9
133.10129	4.4
135.08073	2.1
135.10672	3.1
135.11702	58.8
139.03935	2.3
139.11197	3.6
143.08542	2.4
145.10133	34.6
147.11679	1.6
149.09619	2.4
152.06157	2.1
153.01839	14.2
153.12753	41.1
155.08600	2.0
163.11195	83.2
165.07034	3.8
167.08553	1.9
173.09621	5.6
177.06947	2.1
181.12236	32.9
191.10686	9.6
194.07274	2.1
195.08080	5.4
208.05188	1.5
209.11676	12.1
222.06770	1.8
223.07494	4.7
227.12796	100.0
229.65445	1.4
239.06882	1.3
240.07841	3.1
255.10146	2.6
279.20157	1.5
283.06436	2.8
283.09680	18.4
283.15427	64.7
283.20554	2.5
284.16132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.20896	1.8
53.03937	7.0
55.01875	33.6
55.05513	61.2
57.03439	51.1
57.07064	5.0
59.04998	10.0
67.05173	2.4
67.05505	33.7
69.03399	1.8
69.07068	12.1
69.53056	14.0
71.01349	4.2
71.05015	9.2
79.05495	56.5
81.03419	27.3
81.06575	2.7
81.07056	52.6
83.01338	34.2
83.04981	42.7
83.08620	33.1
85.02908	10.6
85.06519	4.0
91.05480	33.1
93.07041	72.8
95.04977	23.0
95.08617	20.2
97.02883	6.4
97.06534	14.0
97.10153	4.2
98.21259	7.1
98.25096	2.0
98.98495	3.3
99.04453	8.2
103.05415	2.2
105.07027	24.5
107.04951	20.5
107.08597	31.3
109.06516	18.6
109.10148	4.4
111.04448	12.7
111.08074	6.6
117.07018	18.3
119.04995	2.2
119.08598	22.3
119.25759	1.8
121.06464	9.2
121.10139	22.4
123.08047	21.2
125.05994	4.3
125.09660	3.3
129.07002	3.7
130.07774	3.4
131.04938	2.2
131.08557	7.8
133.10123	5.1
135.08032	4.9
135.11705	38.9
136.29800	1.6
137.09583	5.6
145.06464	2.4
145.10109	46.9
147.08031	5.3
149.09529	2.2
153.12756	13.2
155.08553	4.4
163.11191	77.2
173.09599	10.5
181.12233	14.6
191.10675	8.5
209.11723	23.7
227.12788	13.0
283.09753	5.9
283.15399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1178
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
53.03944	2.8
55.01866	2.1
55.05499	1.6
57.03415	1.1
65.03944	6.4
67.05508	2.5
69.03432	5.9
69.07082	0.8
71.04990	3.2
79.05489	2.3
81.03425	11.2
81.07042	1.3
82.04190	2.1
83.04974	2.4
85.02914	9.1
91.05506	2.8
93.03425	1.7
93.07043	2.2
95.04973	7.0
95.08604	1.0
97.02895	4.3
97.06532	2.2
99.04452	3.7
103.05422	0.9
105.03367	0.9
105.07033	2.0
107.04974	2.2
107.08610	1.3
109.02878	5.3
110.03648	2.9
111.04445	3.6
115.05450	3.3
116.06227	0.8
117.03384	0.7
117.07001	1.8
119.04980	0.8
119.08608	1.2
121.02879	95.1
121.06529	1.6
121.10146	0.7
123.04449	1.7
123.11668	0.6
125.05991	1.3
127.03929	2.3
129.05539	0.6
129.07013	1.2
131.04922	2.9
131.08588	1.0
132.05769	1.4
132.14052	0.6
133.06505	1.9
137.06035	0.6
138.03157	1.2
139.03922	7.6
142.02563	3.3
143.04950	1.3
144.05719	0.7
145.06488	2.0
147.04430	1.0
147.08066	3.9
149.06007	1.2
152.06219	1.1
153.05519	2.6
159.08101	0.9
160.05281	1.0
161.05983	3.1
162.06827	0.7
163.07539	0.9
165.07025	1.6
167.07068	2.6
167.08426	0.9
171.04420	0.9
171.06555	4.8
173.06000	1.5
174.06822	0.7
175.03783	0.5
175.07555	4.8
177.05516	1.4
177.06953	1.1
178.06229	1.0
181.04974	100.0
183.06659	0.7
187.07468	1.4
189.05554	1.2
191.07039	1.8
193.08662	0.8
194.07327	0.8
195.08115	2.3
197.05974	0.8
201.05620	0.8
202.06354	1.3
203.07045	3.1
205.08630	1.0
207.06503	1.0
211.07669	0.8
221.08104	1.5
222.06848	0.6
223.07631	2.6
233.08141	1.2
235.09715	1.8
236.04889	0.9
237.09305	0.7
240.07837	2.1
251.07040	4.1
253.10732	78.2
255.10236	1.6
265.07190	4.5
265.10791	21.3
268.07300	1.2
283.02927	1.0
283.11923	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53536	1.4
53.03942	3.6
55.01864	3.6
56.96566	8.2
57.03433	6.2
57.07070	1.7
61.02930	10.6
69.03433	21.1
69.07062	1.6
70.44820	3.3
70.45180	2.9
71.04991	4.6
73.02914	6.0
73.06524	1.7
79.01868	2.2
81.03423	10.1
81.07048	1.7
85.02910	100.0
85.06551	20.2
87.04461	4.2
91.03946	6.8
91.05442	2.0
93.07060	1.7
95.08576	1.5
97.02897	26.4
98.06078	3.0
98.97603	12.0
99.04458	5.5
109.02890	11.5
110.97546	2.9
112.07596	5.6
113.07887	1.8
115.03979	1.5
116.98605	8.0
125.02345	1.7
127.03911	25.3
128.98622	4.3
130.08679	4.3
133.03374	1.3
134.06030	2.0
134.09668	4.0
134.99678	3.0
136.07564	2.5
142.68980	2.0
143.03432	2.6
145.04970	52.6
146.99678	2.5
147.04405	2.8
150.07768	3.1
153.00711	1.8
153.01851	21.1
158.06638	10.2
158.99745	1.4
159.06779	8.7
160.06451	2.5
161.01242	2.8
162.05379	1.5
163.06079	11.0
167.04076	1.6
174.04382	2.6
176.07707	6.7
176.12668	2.4
177.00789	3.6
177.07846	12.7
178.07336	2.2
179.92253	1.6
186.04431	3.0
188.07741	1.9
189.00720	3.6
189.07916	2.8
193.03171	6.2
196.04364	3.9
204.05501	2.7
215.38257	1.4
219.01817	2.0
226.10973	8.9
229.10692	3.0
237.02882	2.7
244.12178	8.5
251.12547	2.0
252.12608	33.6
253.12300	3.6
257.01138	1.9
263.00711	1.8
264.12534	13.8
265.12338	1.8
268.00146	1.7
270.13721	25.5
271.13211	1.8
281.98303	1.8
282.10410	1.6
282.13562	42.7
282.22208	5.2
283.07376	2.6
283.13214	4.0
300.06274	4.2
303.01468	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01861	0.6
55.05511	0.5
55.45955	0.2
56.96572	0.3
57.03431	0.7
57.03896	0.2
57.07067	0.3
61.02916	0.4
64.98810	0.2
65.03938	2.9
67.05482	0.6
68.99784	0.2
69.03433	4.9
69.07072	0.5
69.93081	1.0
71.01350	0.4
71.04989	0.7
73.02930	0.4
79.05489	0.5
81.03421	8.0
81.07063	0.8
83.01404	0.2
83.04961	0.3
83.08644	0.3
85.02910	5.3
91.05511	0.3
91.66317	0.2
93.07047	1.1
95.04964	5.5
95.08598	0.8
97.02883	2.2
98.21011	0.6
98.97555	0.3
99.04438	1.1
100.11247	0.2
105.07016	0.6
107.08608	0.5
109.02888	3.4
109.06468	0.3
109.10149	0.6
111.04446	2.5
115.05499	0.3
119.08584	0.6
121.02872	100.0
121.10096	0.3
122.03220	0.7
123.04427	0.2
127.03912	2.1
131.04951	0.8
133.10130	0.3
135.07957	0.3
135.10028	0.2
135.11673	0.5
137.05933	0.3
139.03908	8.4
139.07599	0.3
139.45605	0.2
140.04300	0.2
143.08575	0.3
145.10141	0.4
152.06165	0.4
153.01855	1.5
154.02185	0.2
158.66495	0.2
163.11095	0.3
165.07013	0.6
167.08578	0.6
169.06374	0.2
177.07031	0.5
179.10692	0.5
181.05019	1.0
181.06432	0.4
193.06534	0.4
194.07286	0.7
194.16264	0.3
195.08093	1.1
197.05951	0.2
208.04880	0.2
209.09764	0.3
211.07707	0.2
222.06807	0.3
223.07591	0.8
225.05428	0.2
237.09079	0.4
240.07864	0.6
242.97122	0.2
247.17230	0.2
251.06999	0.4
251.09225	0.3
253.10756	0.8
254.09273	0.2
255.10246	0.8
259.01184	0.3
262.07770	0.4
265.07138	4.0
265.10788	0.6
268.07339	0.8
271.08588	0.3
283.05692	0.2
283.09686	3.7
283.17175	0.2
283.20139	0.3
291.59482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.284
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
51.65355	1.3
53.00307	1.4
53.03937	2.0
55.01874	1.4
55.05264	2.3
55.05512	35.1
56.51775	1.0
57.07077	61.2
59.04997	6.7
65.03947	1.4
65.08115	1.1
67.05171	1.8
67.05505	35.0
69.03426	4.2
69.07071	76.4
70.03460	6.1
71.04996	26.1
71.08635	34.5
73.06541	3.4
75.26825	1.1
77.37804	1.2
79.05492	10.2
81.03422	2.4
81.07059	100.0
83.04977	9.1
83.08620	43.1
85.06544	22.1
85.10185	11.3
87.12461	1.2
91.05473	6.0
93.07051	12.7
95.04952	1.4
95.08609	97.9
96.60362	1.1
97.06516	4.0
97.10168	29.5
98.21284	2.2
99.08102	7.9
99.11700	2.6
105.07039	8.2
107.08607	10.7
109.02919	1.6
109.06524	2.7
109.10154	60.0
111.04429	2.6
111.11008	1.8
111.11715	17.0
112.07574	1.2
113.09642	3.9
115.05480	1.5
117.06958	1.7
119.04926	4.0
119.08567	5.5
121.10124	9.1
123.08063	2.0
123.11709	44.1
125.09621	2.4
125.13267	8.2
127.03920	2.3
127.11182	5.1
128.06250	1.4
129.06956	1.5
131.08545	2.0
133.06464	1.8
133.10106	5.0
135.11664	4.9
137.09558	1.6
137.13258	32.3
140.07027	1.1
141.12709	4.9
145.10107	1.8
147.08064	1.5
147.11696	2.2
149.13252	4.9
151.11133	2.7
151.14812	11.3
153.01814	1.4
154.12289	2.7
155.08539	1.5
155.14322	1.7
161.05978	2.3
161.09621	1.9
161.13217	1.8
163.14833	3.0
165.16342	4.0
169.10078	2.0
169.15927	1.8
171.11671	1.2
175.14771	1.6
179.17938	3.8
181.04991	1.9
182.11749	4.3
182.15404	2.8
183.17400	1.3
185.09570	1.5
188.97940	1.2
189.16380	2.7
193.03177	1.2
193.19569	2.9
197.18958	2.7
207.21057	2.5
209.18935	1.2
210.14886	5.0
221.08025	2.4
235.16977	1.2
238.06210	1.5
245.22569	3.5
250.13974	1.2
251.09094	1.8
253.59068	1.2
259.50314	1.1
263.09134	2.7
263.20203	2.3
263.23660	5.9
263.27237	9.1
281.08167	1.8
281.11536	4.6
281.14435	1.3
281.19028	2.9
281.22153	3.5
281.24811	9.6
281.28372	41.9
299.06110	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	281.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65355	1.3
53.00307	1.4
53.03937	2.0
55.01874	1.4
55.05264	2.3
55.05512	35.1
56.51775	1.0
57.07077	61.2
59.04997	6.7
65.03947	1.4
65.08115	1.1
67.05171	1.8
67.05505	35.0
69.03426	4.2
69.07071	76.4
70.03460	6.1
71.04996	26.1
71.08635	34.5
73.06541	3.4
75.26825	1.1
77.37804	1.2
79.05492	10.2
81.03422	2.4
81.07059	100.0
83.04977	9.1
83.08620	43.1
85.06544	22.1
85.10185	11.3
87.12461	1.2
91.05473	6.0
93.07051	12.7
95.04952	1.4
95.08609	97.9
96.60362	1.1
97.06516	4.0
97.10168	29.5
98.21284	2.2
99.08102	7.9
99.11700	2.6
105.07039	8.2
107.08607	10.7
109.02919	1.6
109.06524	2.7
109.10154	60.0
111.04429	2.6
111.11008	1.8
111.11715	17.0
112.07574	1.2
113.09642	3.9
115.05480	1.5
117.06958	1.7
119.04926	4.0
119.08567	5.5
121.10124	9.1
123.08063	2.0
123.11709	44.1
125.09621	2.4
125.13267	8.2
127.03920	2.3
127.11182	5.1
128.06250	1.4
129.06956	1.5
131.08545	2.0
133.06464	1.8
133.10106	5.0
135.11664	4.9
137.09558	1.6
137.13258	32.3
140.07027	1.1
141.12709	4.9
145.10107	1.8
147.08064	1.5
147.11696	2.2
149.13252	4.9
151.11133	2.7
151.14812	11.3
153.01814	1.4
154.12289	2.7
155.08539	1.5
155.14322	1.7
161.05978	2.3
161.09621	1.9
161.13217	1.8
163.14833	3.0
165.16342	4.0
169.10078	2.0
169.15927	1.8
171.11671	1.2
175.14771	1.6
179.17938	3.8
181.04991	1.9
182.11749	4.3
182.15404	2.8
183.17400	1.3
185.09570	1.5
188.97940	1.2
189.16380	2.7
193.03177	1.2
193.19569	2.9
197.18958	2.7
207.21057	2.5
209.18935	1.2
210.14886	5.0
221.08025	2.4
235.16977	1.2
238.06210	1.5
245.22569	3.5
250.13974	1.2
251.09094	1.8
253.59068	1.2
259.50314	1.1
263.09134	2.7
263.20203	2.3
263.23660	5.9
263.27237	9.1
281.08167	1.8
281.11536	4.6
281.14435	1.3
281.19028	2.9
281.22153	3.5
281.24811	9.6
281.28372	41.9
299.06110	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	281.2476
Annotation	chaulmoogric acid
Peak:m/z	Relative Intensity
53.00322	0.7
53.03947	1.3
55.05512	18.3
57.03438	0.8
57.07077	9.1
59.05002	0.8
67.05506	12.6
69.03448	2.5
69.07072	11.3
71.05000	6.9
71.08633	2.7
71.57762	0.5
79.05499	4.8
81.06573	1.2
81.07060	28.9
83.04986	100.0
83.08618	8.0
85.06534	4.2
85.10184	0.7
91.05476	2.5
93.07047	4.7
95.04977	2.0
95.08611	31.1
97.06542	2.1
97.10165	4.8
99.08094	1.2
100.45160	0.6
105.07045	4.0
107.04992	0.9
107.08616	5.7
109.06528	1.2
109.10159	26.5
111.08121	0.9
111.11723	2.0
113.09670	1.6
115.05490	0.8
118.19301	0.5
119.04903	1.0
119.08556	3.1
121.10138	4.7
123.08100	0.9
123.11709	12.2
125.09625	2.5
127.11247	1.8
133.06509	0.9
133.10136	2.7
135.11725	2.5
137.09651	1.1
137.13251	4.3
141.12782	0.8
145.10156	0.8
147.11729	2.3
149.13315	2.1
151.02893	0.6
151.11185	1.1
151.14796	1.0
153.12837	0.6
155.08549	0.6
159.11694	0.6
161.05948	1.2
161.13290	2.2
163.14833	4.2
165.12764	0.6
165.16411	7.7
175.14883	1.5
177.05548	0.5
177.16400	1.1
181.05005	1.2
181.06555	0.5
189.05527	1.2
189.16406	3.5
191.17938	1.5
193.16016	0.6
203.18005	0.7
207.17497	0.5
221.08112	1.5
222.53613	0.6
245.22719	1.5
251.09241	0.7
263.09229	1.0
263.16351	0.8
263.23709	7.6
267.00043	0.5
281.07974	1.2
281.12152	1.0
281.19931	0.5
281.22238	0.7
281.24930	10.2
281.28290	1.4
292.99265	0.6
299.06235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Isotorquatone
Peak:m/z	Relative Intensity
55.01863	0.7
55.05514	4.1
57.03432	0.5
57.07076	13.2
58.73830	0.4
65.03943	0.8
67.05505	10.1
69.03380	0.5
69.07056	1.5
71.04972	1.3
71.57913	0.5
72.06434	0.4
79.05486	2.1
81.07049	5.8
83.01340	3.5
83.04959	0.8
83.08601	1.8
85.02915	0.7
85.06525	1.3
85.10161	0.9
85.41895	0.4
91.05482	2.8
93.07030	1.8
95.04964	0.5
95.08611	2.4
97.06522	0.6
97.10142	0.8
104.35607	0.5
105.07023	1.9
107.08563	1.5
109.06493	2.2
109.10151	7.6
111.04460	0.5
111.08070	0.6
111.47723	0.4
113.05982	0.5
113.09614	1.0
117.04660	0.4
117.07052	0.5
119.08572	3.0
119.50151	0.4
121.06562	0.7
121.10175	0.5
122.33435	0.4
123.08080	2.1
123.11733	0.7
124.05183	0.7
125.05974	1.2
127.11187	1.1
129.07037	0.9
130.59869	0.4
133.06541	0.5
133.10123	1.6
134.61703	0.5
135.08118	0.5
137.05966	2.8
137.09610	1.0
139.07536	4.9
147.08040	7.8
148.64253	0.4
151.07536	20.2
151.11118	0.5
153.05525	0.7
155.07045	3.0
161.05867	0.5
165.05478	1.7
165.09103	6.0
165.12726	0.6
167.07036	54.1
175.07553	9.5
178.06248	2.0
179.06982	2.8
181.04927	1.7
181.08557	2.1
183.06526	21.9
189.09154	0.6
191.07027	0.8
193.08601	13.1
195.10231	1.1
197.08072	0.5
235.13255	0.5
263.16409	4.8
280.85788	0.5
281.17465	100.0
282.17789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone
Peak:m/z	Relative Intensity
51.06604	0.3
52.75021	0.3
53.03941	0.6
55.01861	0.7
55.05265	0.3
55.05513	4.7
57.03431	1.2
57.06861	0.4
57.07081	3.9
59.26265	0.3
61.37173	0.3
61.85527	0.3
65.03942	0.6
67.05511	7.6
67.25021	0.4
68.99794	2.1
69.03425	1.4
69.06711	0.6
69.07068	6.6
69.43700	0.3
71.01381	0.3
71.04980	1.2
71.08630	3.1
79.05504	3.8
81.03429	1.7
81.07059	11.0
83.04990	1.8
83.08628	1.6
85.02914	1.4
85.06551	0.4
85.10175	1.1
91.05473	3.2
93.07049	2.7
95.04984	1.7
95.08612	8.8
97.06533	1.0
97.10168	1.0
98.21463	1.0
99.04472	0.5
99.08092	0.6
105.07020	2.3
107.04974	0.6
107.08608	0.6
109.02882	0.7
109.06532	2.6
109.10156	1.3
111.04467	1.9
111.08086	0.3
111.11659	0.4
111.33577	0.3
117.07003	0.5
119.04947	4.6
119.08585	2.1
121.10149	0.8
123.04433	10.3
123.08076	1.0
123.11718	0.4
125.06011	0.7
127.03924	9.1
129.06970	0.6
133.10118	1.0
135.11691	0.8
137.02414	0.4
137.05981	14.6
137.13274	1.3
139.03906	54.9
145.10106	0.5
147.04433	1.9
147.11684	1.4
151.03917	2.3
151.07555	0.8
153.01826	2.4
153.05472	5.2
155.03395	43.2
155.14334	0.5
161.05925	0.4
161.13235	2.1
162.23970	0.3
165.05479	22.4
169.04962	1.5
171.11740	0.8
179.06993	1.8
179.14296	1.4
193.15990	0.4
197.15376	1.2
215.46681	0.3
233.31409	0.3
263.16428	4.4
281.17477	100.0
282.17715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02376	1.5
53.03952	7.9
53.07689	1.4
55.01865	7.2
55.05515	32.6
57.03440	29.8
57.07076	2.4
65.03951	3.3
66.76826	1.5
66.85457	1.4
67.05508	95.9
69.03438	3.6
69.07070	18.6
69.41117	14.3
71.04994	4.7
73.06561	2.3
75.35143	1.7
79.05495	100.0
81.03432	10.1
81.07062	74.8
83.04984	30.4
83.08616	11.9
85.06541	3.4
86.86961	1.5
91.05482	68.0
93.07048	71.3
95.04979	29.5
95.08611	39.7
97.06536	6.2
97.10178	5.8
98.21340	5.0
100.17393	1.6
105.07037	51.1
107.04971	8.1
107.08591	23.0
109.06531	10.6
109.10158	19.3
111.08085	2.8
117.07030	10.7
119.08585	33.6
121.06500	5.1
121.10143	2.8
123.04417	4.8
123.08064	9.7
127.03902	6.2
127.07571	3.9
128.06259	2.4
129.07010	16.4
130.07843	2.0
131.08592	3.3
133.10143	16.1
135.08125	1.6
135.11732	3.0
139.03911	3.8
143.08554	9.2
145.10139	11.1
147.07997	5.0
147.11697	43.0
153.01889	2.4
161.09622	4.7
161.13254	17.7
171.11690	29.5
173.11717	6.8
189.12718	11.8
207.13829	14.1
281.14600	1.5
281.17435	41.0
281.22302	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03948	11.3
55.01884	8.8
55.05508	34.4
57.03432	30.8
57.07086	3.5
57.42294	1.8
65.03946	4.2
65.55377	1.9
67.05503	93.6
69.03419	2.8
69.07069	22.1
69.75661	12.2
71.05010	3.0
75.21476	2.3
79.05492	100.0
80.76895	1.9
81.03415	13.7
81.07056	70.1
83.04982	32.3
83.08611	11.0
85.06571	5.9
91.04901	3.6
91.05479	73.5
93.07047	84.3
95.04964	28.9
95.08603	46.4
97.06595	4.7
97.10191	5.5
98.21364	4.3
99.08099	3.2
103.05499	3.2
105.07030	48.1
107.04987	7.2
107.08601	27.0
109.06514	12.9
109.10149	17.6
111.08031	2.6
117.06992	11.8
119.08584	29.9
121.06533	3.2
121.10176	7.9
123.08073	10.7
127.03950	5.5
129.06996	18.9
131.08577	5.3
133.06543	2.7
133.10124	15.3
135.11716	6.0
137.09694	1.9
143.08566	11.7
145.10120	11.1
147.08066	3.4
147.11691	37.3
149.13324	2.0
156.09386	2.5
159.11726	2.6
161.09694	5.1
161.13242	14.2
163.11203	2.7
171.11690	31.2
173.11761	4.8
183.21043	1.9
189.12776	10.7
207.13760	12.0
275.85318	2.3
281.17477	41.0
281.22507	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	10.5
55.01858	7.4
55.05264	2.7
55.05517	42.4
57.03436	27.6
57.07080	14.3
57.82833	1.9
59.04999	4.0
62.72701	1.9
65.03937	4.1
67.05506	87.6
67.05871	4.4
69.03400	2.8
69.06730	2.5
69.07077	34.2
71.04987	6.9
71.08624	6.6
71.56432	2.6
73.06541	3.8
79.05498	100.0
81.03419	15.8
81.07061	98.7
83.04987	34.8
83.08617	15.0
85.06542	9.4
91.05480	74.0
93.07051	74.4
95.04977	27.3
95.08608	66.8
97.06525	10.8
97.10149	11.1
99.08101	2.4
105.04527	2.2
105.07037	54.8
107.04974	11.5
107.08607	29.1
109.06513	11.4
109.10160	22.5
111.08099	3.0
111.11736	2.9
112.86423	2.2
113.09612	3.0
115.05421	2.5
117.07010	12.2
119.04928	4.3
119.08594	37.0
121.06491	5.7
121.10141	8.3
123.04469	2.8
123.08070	12.7
123.11691	7.2
127.07549	3.9
128.06233	4.9
129.07013	19.2
131.08569	5.2
133.10161	14.2
135.08109	3.2
135.11673	4.0
137.09648	4.2
137.13237	5.8
143.08563	10.4
145.10110	12.1
147.08095	4.3
147.11713	37.9
149.02428	2.8
151.02849	2.5
159.11784	2.6
161.09647	6.4
161.13248	16.7
167.07068	2.6
169.10190	3.5
171.11693	30.0
181.04907	2.9
189.12688	10.0
207.13748	14.6
253.12230	3.0
281.11560	6.7
281.14636	2.4
281.17465	35.3
281.28391	3.9
299.06125	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02369	1.2
53.03949	9.2
55.01864	5.0
55.05513	36.1
57.03438	27.4
57.07082	6.2
65.03931	5.6
67.05508	91.0
69.03428	5.0
69.07069	21.8
69.25533	11.0
71.05000	5.2
73.06544	3.0
77.03908	1.7
79.05495	100.0
81.03420	16.1
81.07059	81.3
83.04982	39.1
83.08620	11.4
84.89797	1.1
85.02880	1.8
85.06554	6.8
91.05482	80.0
93.07045	72.2
95.04971	30.3
95.08610	53.0
97.02908	2.3
97.06551	5.6
97.10154	6.7
98.21092	5.7
99.08120	2.9
103.05466	2.1
105.04545	2.3
105.07034	52.4
107.04967	10.9
107.08598	31.4
109.06533	10.0
109.10166	16.9
111.08069	3.4
113.09636	1.5
115.05445	1.6
117.07023	11.0
118.52640	1.1
119.04960	2.8
119.07800	1.6
119.08592	28.8
121.06509	4.3
121.10142	9.4
123.08073	10.5
123.11730	6.3
125.09647	1.9
127.07559	2.5
128.06209	3.7
129.07005	21.3
131.08560	4.3
133.06502	2.6
133.10127	15.5
135.08078	1.8
135.11702	4.2
135.18706	1.1
137.09595	1.8
137.13266	3.0
139.07518	1.5
141.09143	1.4
143.08553	11.5
145.10146	12.2
147.08003	4.6
147.11693	41.1
149.13239	3.9
151.11183	1.6
153.20473	1.1
156.09276	1.9
158.55733	1.0
159.11688	1.4
161.09610	7.0
161.13248	17.0
163.11208	2.2
165.12740	1.5
171.11681	33.7
179.14310	1.3
181.04897	1.2
189.12744	8.9
189.16306	1.9
207.13820	13.4
245.22632	1.8
263.23700	1.6
266.05746	1.4
266.09085	1.2
266.96277	1.1
281.07870	2.0
281.11691	1.8
281.17471	45.1
281.24655	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	13.1
55.01866	3.1
55.05520	34.8
57.03442	31.2
57.07066	4.6
62.47444	2.7
65.03947	4.6
67.05170	5.5
67.05510	83.3
69.03426	5.3
69.07070	13.4
69.63184	2.8
71.04984	4.7
71.58121	5.4
74.55856	2.8
75.90498	3.2
79.05495	100.0
81.03429	17.9
81.07063	73.0
83.04981	30.2
83.08620	10.5
86.05818	2.7
88.31650	2.4
91.05479	67.3
93.07047	83.2
95.04971	26.9
95.08612	44.2
97.06522	3.9
97.10171	3.4
98.21143	2.7
99.76346	2.8
105.04491	2.9
105.06378	5.5
105.07036	61.3
107.04937	9.8
107.08601	27.1
109.06517	8.6
109.10154	9.1
110.61835	2.7
117.07024	11.4
119.08591	37.7
121.06487	3.0
121.10129	6.6
123.08088	7.1
128.06189	3.0
129.07001	22.9
131.08604	3.8
133.10130	12.5
134.09662	10.8
135.11682	3.1
143.08548	10.3
145.10135	11.1
147.08055	3.6
147.11678	35.9
155.06079	2.6
161.09644	5.5
161.13245	17.5
164.46555	2.9
171.11673	32.2
177.12753	3.1
189.12814	14.8
196.33401	2.9
207.13890	14.4
268.40286	3.2
281.17441	41.9
282.22205	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02355	1.5
53.03945	12.9
54.36434	1.4
55.01876	7.2
55.05512	43.2
57.03439	32.1
57.07067	4.3
59.05003	2.1
65.03935	5.5
67.05505	88.3
67.28341	1.2
69.03433	3.7
69.07074	23.9
69.26711	7.6
69.27137	5.3
71.04987	5.0
73.06546	3.6
79.05494	100.0
81.03420	18.1
81.07059	75.9
83.04983	37.1
83.08625	13.0
85.06527	4.3
90.32964	1.3
91.04890	1.7
91.05480	69.5
93.07047	72.0
95.04965	26.7
95.08607	48.2
97.02875	3.0
97.06544	8.1
97.10168	15.2
98.21095	6.7
98.97574	2.3
99.04445	1.9
99.08113	2.2
99.26933	1.3
105.04499	1.9
105.07030	57.9
107.04964	12.1
107.08597	29.2
109.02896	2.8
109.06507	12.0
109.10160	14.3
111.08070	2.5
115.05507	1.9
117.06993	11.5
118.45557	1.2
119.04943	6.6
119.08578	31.1
121.06524	3.3
121.10142	8.8
123.08074	10.3
123.11703	4.3
125.09612	3.8
127.07516	1.8
128.06233	3.8
129.07007	19.8
131.08565	5.5
133.06569	1.8
133.10127	17.8
135.08063	2.7
135.11717	3.8
137.09578	2.9
137.13246	2.3
141.09079	2.0
143.08548	8.8
145.10153	14.5
147.08061	3.1
147.11697	39.2
149.13252	2.3
153.01816	1.5
156.09323	2.5
159.11713	1.8
161.09610	4.8
161.13264	16.6
163.11121	2.0
169.10133	1.4
171.11693	24.6
179.14352	1.6
181.04846	2.4
185.12076	1.4
189.12758	11.7
200.12410	2.3
207.13803	11.3
263.09308	1.9
263.23618	1.9
281.08026	4.2
281.11646	6.3
281.17462	38.8
281.24646	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	281.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	1.7
55.04261	2.4
55.05500	0.7
56.22844	0.3
57.03434	0.6
57.07052	0.5
59.20133	0.3
66.92005	0.3
67.05508	0.5
69.03429	0.6
70.02940	0.5
71.04986	0.9
71.55417	0.5
73.04749	0.4
79.05496	0.6
81.03460	1.6
81.04543	13.3
81.07057	0.9
82.05326	7.6
83.04982	1.0
83.08633	0.4
83.10299	0.3
85.02912	1.7
91.05807	1.0
95.08615	0.6
97.02893	1.1
98.97615	0.5
99.04475	0.6
101.06029	1.4
107.04928	0.4
108.05582	0.5
109.02891	0.9
109.10115	0.4
110.07181	0.6
115.05423	0.4
116.98622	0.4
119.07037	0.5
120.08131	0.7
121.07587	0.4
122.06463	0.3
122.07156	20.1
123.07938	100.0
123.85721	0.3
124.08334	0.3
127.03925	0.6
131.04865	0.4
134.08078	0.4
136.06200	2.4
136.07132	0.3
136.07526	0.3
137.02373	1.1
137.08023	0.3
140.08217	0.3
141.37125	0.3
147.04422	0.5
151.02802	0.8
152.07100	0.4
152.52446	0.4
153.01837	2.4
154.02240	0.3
155.02264	0.6
160.04349	0.7
161.05910	0.4
162.04123	1.1
165.07732	5.8
187.07649	0.4
212.78226	0.3
225.04630	0.3
260.05533	0.4
263.05338	0.5
263.14267	0.5
267.00113	1.5
281.10681	68.1
282.11005	0.9
283.03018	1.3
299.06186	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
53.03938	0.5
57.03440	2.7
61.02920	1.4
69.03435	3.8
71.01363	0.7
71.04997	1.0
71.26838	0.8
73.02924	0.6
74.00734	0.3
75.04472	0.5
81.03445	0.4
98.21124	0.4
99.04453	1.1
120.08154	0.4
123.07953	0.5
132.06860	0.4
133.85945	0.3
137.02324	0.8
146.08470	0.7
147.09178	84.2
148.09476	0.6
153.01839	0.5
159.09200	0.5
160.09943	0.4
167.03436	0.5
189.10271	0.3
193.05051	0.5
206.02113	0.5
206.05824	0.6
221.04536	2.5
248.03249	0.7
263.05472	1.9
281.06665	5.9
281.14969	100.0
282.15363	1.6
299.06049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03944	0.7
53.89956	0.5
55.01866	0.6
55.05513	7.4
57.07074	2.8
62.04617	0.6
65.03940	2.4
67.05505	93.6
69.07071	8.3
70.02705	2.2
71.04975	1.4
74.92793	0.6
79.05491	9.9
81.07059	100.0
82.07397	1.0
83.04976	1.0
83.08624	4.6
85.06545	1.3
87.87872	0.5
88.34391	0.5
91.05477	2.2
93.07048	8.6
95.04940	0.7
95.08607	71.1
97.06539	1.6
97.10181	2.0
98.21400	0.7
105.07029	2.1
107.08604	6.1
109.06538	0.6
109.10159	39.5
111.08080	0.9
111.11742	0.8
117.07034	1.1
119.08578	2.5
121.10126	5.9
123.08107	1.1
123.11709	26.0
125.09713	0.7
127.03905	1.0
131.08551	3.0
133.10133	2.5
135.08054	0.9
135.11713	3.8
137.09625	1.2
137.12289	0.9
137.13260	10.5
145.10146	2.6
147.11691	2.0
149.02341	10.6
149.09659	1.5
149.13249	2.1
151.11203	1.0
151.14809	2.9
159.11740	1.8
161.13232	1.7
163.11197	0.5
163.14822	1.5
165.12724	0.5
165.16325	0.7
173.13239	3.6
177.12776	1.3
177.16397	0.7
179.14308	1.1
181.04971	1.7
181.12256	1.3
187.14854	1.7
191.14378	1.2
195.13803	1.9
201.16354	0.7
209.15355	2.4
223.16945	2.2
237.18416	1.2
243.21141	1.0
261.22165	2.5
279.09317	0.6
279.23187	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	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30939	2.2
52.50829	2.4
55.05508	4.9
57.03439	21.7
57.07071	5.5
61.02914	6.4
67.05508	4.0
69.03142	2.5
69.03436	26.6
69.42319	17.6
71.01344	5.6
71.04986	17.4
73.02913	26.4
73.11659	2.0
75.04479	11.7
81.03406	6.3
83.04977	16.2
84.14059	2.2
85.02905	100.0
87.04436	4.2
94.09737	2.3
95.04959	5.3
97.02354	3.3
97.02895	29.8
97.06525	2.2
105.07010	2.9
109.02906	10.9
111.04432	11.3
113.02338	6.1
113.06013	2.7
115.03922	20.3
121.02888	2.6
125.23450	1.9
127.03898	2.5
129.05479	22.7
133.04919	3.0
139.03914	2.7
147.06502	13.9
149.02351	41.9
153.01833	34.0
157.04935	7.0
157.39523	2.3
171.06532	4.3
179.49191	2.8
186.41634	2.4
197.87430	2.1
216.91322	2.3
225.07520	17.8
243.08559	4.8
261.09790	3.1
265.01694	2.2
270.33215	2.4
279.05078	4.5
279.10822	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.05501	4.2
57.03442	22.8
57.07074	9.5
59.05002	2.2
61.02925	6.8
65.03937	2.5
69.03431	33.5
69.45113	6.7
69.45534	8.0
71.01348	6.4
71.04987	18.0
73.02918	29.2
75.04487	9.6
78.19756	2.2
79.05506	4.2
81.03423	6.5
81.07063	3.0
83.04996	17.0
85.02908	100.0
87.04485	5.0
91.05513	2.0
95.04976	3.9
97.02898	29.1
98.21375	6.3
99.04453	2.9
101.06031	1.9
105.07024	3.4
109.02880	6.7
109.06551	3.2
111.04420	15.3
113.02367	7.4
113.06025	4.1
115.03944	23.2
119.83799	1.9
123.04386	2.2
127.03913	3.3
129.05478	22.2
133.04962	2.8
135.04501	2.4
139.03929	3.6
141.05482	2.2
147.06505	13.8
148.45575	2.2
149.02351	54.1
153.01851	17.9
157.05002	4.3
171.06502	5.8
176.04840	2.2
181.05037	2.5
199.05936	2.3
201.05595	1.9
201.07620	2.3
201.79112	2.1
204.04211	7.5
219.06546	16.6
225.07547	13.7
233.13010	2.3
243.08633	4.7
279.05234	2.6
279.08447	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59238	0.6
56.96296	1.1
56.96566	20.5
57.03417	1.1
58.99842	1.1
61.02921	0.9
69.03424	1.6
69.58618	4.3
70.99858	0.9
73.02873	1.0
74.97612	0.8
77.00889	0.6
81.03416	1.5
82.99830	1.7
84.96030	5.6
85.02883	1.2
89.00885	0.8
91.03943	1.1
92.66221	0.6
97.02875	1.2
98.21214	1.9
98.97587	40.8
101.00883	25.6
110.97565	4.5
112.99146	2.2
113.00851	1.5
115.00538	0.6
115.02469	1.0
116.98620	14.0
119.01927	56.9
120.02029	0.8
121.01687	1.7
124.99121	6.6
128.98616	3.2
131.00185	1.8
131.01894	5.4
133.01625	2.2
133.03453	1.9
134.99673	1.9
137.02950	6.7
140.98610	4.3
143.00157	19.6
143.01898	48.6
144.98093	1.5
145.01659	0.8
145.03435	1.7
146.99622	2.2
149.01202	0.8
149.03003	0.8
155.00160	0.7
155.01933	1.5
157.01703	1.0
157.03455	2.5
158.99641	11.9
159.01353	1.6
161.01276	10.3
161.02957	100.0
162.02979	1.4
162.99335	0.6
163.02686	1.6
173.01448	1.0
173.02953	15.2
174.99214	1.1
175.02762	1.9
175.04515	2.1
177.00725	7.7
177.02444	6.7
179.02460	0.9
179.04033	2.0
184.04633	2.0
185.02946	0.7
189.02469	1.3
191.02385	0.8
191.03998	13.2
192.05588	0.7
193.03822	1.4
195.01720	0.9
201.00725	1.4
203.04019	4.1
205.03787	0.7
212.54550	0.7
212.93243	1.4
214.96584	1.4
219.01726	4.9
221.05067	2.9
227.99249	0.6
228.99246	0.7
230.94305	2.1
233.05077	8.2
237.02817	54.5
239.06137	3.7
251.04222	0.7
254.94356	2.0
255.03873	61.3
255.94643	0.9
256.97617	2.1
260.04178	1.0
261.04581	21.3
269.55841	1.0
272.95267	4.9
273.04990	1.6
273.95450	1.0
278.05307	1.0
279.03601	11.1
279.05698	18.4
279.99030	0.8
293.07199	0.8
297.04858	21.5
302.07129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1022
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
53.03945	3.9
55.01871	0.6
55.05506	0.8
56.05024	2.8
57.07065	0.8
60.04514	2.9
67.05476	0.6
68.05032	7.0
69.03423	5.7
69.41943	0.6
71.24722	0.9
72.64828	0.6
77.03921	1.0
81.03419	0.9
81.07054	0.7
82.06564	1.1
84.04504	4.4
86.06059	2.4
89.67330	0.6
95.04971	6.0
95.08562	0.6
96.04490	13.8
97.02888	80.6
97.60023	0.7
98.03172	0.7
98.21021	0.8
99.81870	0.6
104.08421	0.6
104.60143	0.6
105.03390	100.0
110.06022	1.9
114.05526	19.9
115.03963	0.8
123.04391	0.7
124.07639	0.8
138.05498	60.3
143.03406	0.7
146.08585	0.6
149.02319	2.1
153.01830	5.8
156.06532	4.7
219.06604	1.8
232.03195	0.7
255.57780	0.7
267.80057	0.8
278.10229	70.1
278.21320	1.5
279.04956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91455	1.2
56.96568	8.9
58.55523	1.2
69.03398	1.2
69.59650	1.2
69.64254	5.7
69.64661	2.3
76.72642	1.3
77.64012	1.3
85.02895	1.8
98.21237	4.7
98.97590	100.0
101.00897	6.7
110.97575	22.0
112.99146	1.3
116.97815	2.4
116.98631	44.4
119.01929	15.6
124.99087	2.6
128.98611	18.8
131.00185	1.8
131.01967	1.4
134.99673	9.3
137.02940	1.6
138.01767	1.3
143.00140	5.7
143.01895	11.2
145.03426	3.1
146.99651	8.0
158.99663	45.7
161.01160	3.2
161.02977	18.9
170.99626	8.4
173.02992	4.1
177.00739	53.1
177.02356	3.5
181.83904	1.9
189.00790	18.9
189.02461	3.6
191.03925	1.5
195.01749	3.3
207.01825	8.6
207.03476	2.3
219.01759	6.8
237.02831	26.6
239.06136	1.5
255.03926	20.4
261.04584	3.3
279.04575	18.3
279.97064	1.3
286.59720	1.2
297.04935	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	277.2526
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03943	2.5
55.01870	1.1
55.05262	0.8
55.05513	14.7
55.42242	0.7
57.03437	8.4
57.07076	3.5
59.02758	0.6
65.03938	2.4
67.05507	82.9
69.07067	11.8
69.66879	4.3
71.04993	12.0
71.08620	0.8
79.05497	31.3
79.05962	1.6
81.07060	100.0
83.05003	1.8
83.08620	8.1
85.06554	5.8
91.05480	17.4
93.07049	43.8
95.04974	3.4
95.08611	77.1
97.06530	2.9
97.10168	3.9
98.21039	2.2
99.08098	4.0
105.07031	15.0
107.04977	0.8
107.08596	28.6
109.06538	4.4
109.10162	40.3
111.08100	2.7
111.11726	1.3
117.07037	4.1
119.08575	11.1
120.98276	0.7
121.06487	0.9
121.10148	24.2
123.08105	3.9
123.11710	23.2
125.09669	1.9
129.07027	1.6
131.08565	6.8
133.10132	12.0
135.08043	0.9
135.11702	23.1
137.09665	1.6
137.13254	10.6
139.11253	0.9
143.08636	1.4
145.10141	6.3
147.11694	8.5
149.09618	1.2
149.13266	13.0
151.11185	1.4
151.14893	2.2
153.05490	0.8
155.53900	0.7
157.10199	1.7
159.11691	4.3
161.13243	6.3
163.11212	1.3
163.14833	7.1
165.12842	1.0
171.11720	1.9
173.13300	5.4
175.14830	4.5
177.16382	6.8
179.10678	1.8
181.69768	0.7
182.15588	0.8
185.13266	2.6
187.14845	7.3
189.16373	4.8
191.14331	3.0
199.14809	1.2
203.17966	3.0
205.15950	5.5
207.17535	1.3
213.16612	0.8
217.19455	1.4
221.15381	1.2
221.19037	2.1
235.16975	3.3
241.19617	2.4
259.20630	7.2
259.24197	2.9
277.03613	0.8
277.18234	3.6
277.21713	35.4
277.25323	20.3
277.28232	1.7
281.02597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02365	1.1
53.03957	5.3
55.05266	1.1
55.05513	16.6
57.07066	3.0
59.04983	0.9
65.03944	1.6
67.05507	35.0
69.07070	14.3
69.85644	4.0
71.04987	2.5
76.63686	1.0
79.05497	70.4
81.07061	41.4
83.04976	2.1
83.08623	8.2
85.06528	2.5
91.05482	27.9
93.07048	100.0
95.04971	6.5
95.08047	1.7
95.08612	26.3
97.06541	1.8
97.10152	4.5
98.21260	1.6
105.04552	1.5
105.07041	16.0
107.04932	1.4
107.08601	49.7
107.66595	0.8
109.06521	2.7
109.10156	15.2
111.08049	1.0
113.06010	0.9
117.07032	3.5
119.08588	9.5
121.10153	42.2
123.04412	3.6
123.08044	1.6
123.11699	3.3
127.07585	1.0
129.07010	2.3
131.08557	4.4
133.06540	1.0
133.10141	13.1
135.08098	1.4
135.11696	54.7
137.09624	1.1
139.03928	2.0
139.11273	0.9
143.08577	2.0
145.10094	4.1
147.11685	8.8
149.02458	1.1
149.09624	2.4
149.13269	22.9
151.07573	1.8
153.05472	9.2
157.10152	1.6
159.11685	3.8
161.09630	1.6
161.13274	5.4
163.11253	1.9
163.14836	6.2
171.11678	2.8
173.13278	3.0
175.14812	2.8
177.12791	1.4
179.07033	4.2
185.13206	2.2
188.88098	0.8
189.12769	1.9
195.13890	2.1
199.14713	1.3
200.28291	0.9
207.13832	2.9
213.16452	2.0
221.15320	4.4
231.17542	1.1
233.15884	0.9
235.16913	6.2
241.19521	2.5
259.20627	3.2
272.00833	0.8
277.03232	1.2
277.14468	2.2
277.18369	3.2
277.21631	69.0
278.21967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03941	5.6
55.05264	1.2
55.05513	18.5
57.07063	3.2
65.03920	2.2
67.05508	29.9
69.06767	1.2
69.07076	12.2
76.27159	1.5
77.03889	1.8
79.05496	79.7
81.07059	35.9
83.08609	5.8
89.26538	1.2
91.05488	26.1
93.07047	100.0
95.04963	5.8
95.08613	24.8
96.72761	1.4
97.06551	2.7
97.10154	3.8
98.21112	11.2
105.07030	12.3
107.08597	49.8
109.06489	1.9
109.10141	8.4
113.15389	1.5
117.07029	2.7
119.08572	8.6
121.10148	47.9
123.07992	2.3
131.08589	3.4
133.10120	10.4
135.11694	42.0
136.02451	1.5
139.90327	1.3
143.08539	2.3
145.10088	3.2
147.11700	6.9
149.09595	1.7
149.13284	20.2
159.11710	2.4
161.13278	3.5
163.14809	2.9
171.11650	2.2
173.13257	2.5
175.14818	2.0
181.12288	1.9
185.13306	2.0
213.16396	2.1
217.15979	1.7
220.04274	1.3
221.15314	2.7
229.62796	1.6
235.16991	2.5
259.20706	1.9
273.97672	1.3
277.21640	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	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18334	1.0
53.03941	6.1
55.01870	2.1
55.05515	22.5
57.07067	4.5
65.03932	1.4
66.35518	1.0
67.05509	33.5
68.99786	3.3
69.03424	1.2
69.07069	19.2
69.44851	8.4
71.04984	2.7
73.06554	1.2
79.05494	76.9
81.07059	40.4
83.04993	2.7
83.08617	8.3
85.06551	3.4
91.05482	28.1
93.07047	100.0
95.04974	6.7
95.08609	32.4
97.06533	3.8
97.10161	5.0
100.68819	1.0
101.34908	1.1
105.04544	1.6
105.07030	18.3
107.08597	51.7
109.06510	3.6
109.10168	12.9
111.00800	5.1
111.11678	1.2
117.07004	3.7
118.00646	1.2
119.08585	13.3
121.10149	53.3
123.04439	1.0
123.08028	1.9
123.11709	2.7
129.07045	1.9
131.08553	4.0
133.10135	13.5
135.08063	2.3
135.11700	43.6
137.09647	1.2
137.13187	1.3
139.03926	4.1
143.08534	2.1
145.10143	4.1
147.08002	1.6
147.11711	8.6
149.09621	1.4
149.13271	20.6
149.14369	1.9
157.10135	2.4
159.11731	4.5
161.09555	1.1
161.13248	4.0
163.14757	5.2
165.09059	1.6
167.07045	2.1
171.11749	1.7
173.13261	1.9
175.11281	1.2
175.14819	3.9
177.12787	1.3
177.16570	1.3
179.10672	1.9
181.05011	1.9
181.12242	1.9
185.13254	2.2
189.12665	1.4
189.16382	1.3
195.10262	1.7
195.13751	1.3
199.14909	2.3
207.13736	2.3
213.16310	1.8
221.15355	3.2
231.17432	1.5
235.16951	6.1
241.19522	1.9
257.79547	1.1
259.20517	4.7
277.03552	1.6
277.14856	2.3
277.18060	15.7
277.21640	62.5
297.42154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03934	4.3
55.01855	2.1
55.05515	20.5
57.03440	31.8
57.07064	4.1
58.54594	1.0
65.03934	2.8
67.05503	69.9
69.03384	1.2
69.07066	17.1
69.80145	3.9
69.80550	2.1
70.02495	1.0
71.04996	14.7
75.26815	0.9
77.03896	2.4
79.05492	69.9
81.03423	1.9
81.07057	79.5
83.04995	5.0
83.08618	10.3
85.06541	10.5
91.05484	40.2
93.07043	85.9
95.04978	9.6
95.08609	68.6
97.06534	6.1
97.10165	5.8
98.21298	2.9
99.08100	8.6
105.04511	1.4
105.07027	32.7
107.04961	2.8
107.08596	55.3
109.06513	10.7
109.09444	1.8
109.10161	27.1
111.08083	5.9
111.11709	1.6
113.05993	2.6
113.09617	2.3
117.07017	9.8
119.08583	26.4
121.06494	3.5
121.10143	46.3
123.08075	7.8
123.11713	9.3
125.09614	4.0
125.48485	0.9
127.07560	2.3
129.07005	4.6
131.08574	20.2
133.10132	19.7
135.08014	3.4
135.11699	44.8
137.05977	1.5
137.09575	6.8
137.13193	2.4
141.09019	1.6
143.08536	4.5
145.10141	19.0
147.11687	14.8
149.09610	3.6
149.13264	23.0
151.07544	3.2
151.11154	3.7
154.69702	1.3
157.10143	3.9
159.11729	9.8
161.13266	10.5
163.11194	3.8
163.14815	7.1
165.12756	3.7
167.07034	2.5
171.11653	6.7
173.13274	12.3
175.11235	1.6
175.14836	5.6
177.12624	1.2
177.16451	2.4
179.10654	3.4
179.14297	1.7
181.12270	2.0
184.18282	1.0
185.13185	4.8
187.14833	27.8
189.12843	1.5
189.16362	2.7
191.14323	5.8
193.08620	1.4
199.14856	2.8
201.16385	1.1
203.17952	2.9
205.15881	19.2
207.13858	2.0
207.17368	2.4
213.16411	2.1
221.08290	1.0
221.15421	2.1
221.18985	4.5
231.21124	2.5
235.16853	6.0
241.19572	7.8
259.20584	21.4
259.23608	1.5
259.24481	1.6
277.18195	6.9
277.21628	100.0
277.25110	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	277.2162
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
51.02380	0.9
53.03938	4.1
55.01864	1.4
55.05512	17.7
57.07066	2.6
67.05507	30.2
69.07076	12.9
69.72115	5.1
71.04993	1.2
77.03912	1.7
79.05493	68.9
81.07061	37.5
83.04953	1.8
83.08614	7.6
85.06553	2.1
91.05481	22.9
91.05999	0.8
93.07044	100.0
94.38407	1.0
95.04966	5.7
95.08044	1.7
95.08604	25.6
97.06517	2.2
97.10161	3.9
98.21086	3.3
105.04492	1.6
105.07037	13.3
105.42813	0.8
107.08596	51.9
109.06501	2.0
109.10155	11.1
109.21249	0.9
117.07024	3.1
119.08572	9.5
120.47731	0.8
121.06556	1.0
121.10140	53.5
123.08042	1.5
123.11716	3.6
124.01305	0.8
129.07018	2.2
131.08592	4.4
133.10136	11.4
134.34724	0.9
135.08109	1.3
135.11693	54.5
139.11118	1.5
143.08575	2.6
145.10126	3.5
147.11673	9.4
149.09590	1.4
149.13261	20.5
159.11694	3.5
161.09627	1.1
161.13245	3.3
163.11203	1.4
163.14786	5.2
165.54839	0.9
167.10648	1.6
171.11726	1.7
173.13315	1.9
175.14853	1.6
177.12653	1.1
181.12167	1.4
185.13242	1.9
195.13744	1.3
207.13832	1.3
211.15994	0.9
213.16412	1.1
221.15387	3.4
231.17378	1.2
235.16948	3.7
241.19513	1.4
259.20734	4.7
277.21631	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	3.3
55.05515	15.4
57.07070	2.7
67.05506	29.0
69.07076	16.1
70.61980	3.3
70.62305	1.7
71.04987	1.5
72.07262	1.4
77.03884	1.8
79.05496	69.5
81.07059	34.0
83.08632	8.8
83.09044	1.6
85.06521	2.3
89.77624	1.5
91.05479	26.0
93.07049	100.0
95.04975	3.7
95.08046	1.9
95.08616	24.2
95.84082	1.3
97.06563	2.2
97.10138	3.6
98.21206	2.8
105.07042	14.7
107.08596	50.2
109.06522	2.0
109.10157	11.1
117.07043	3.4
119.08618	10.9
121.10149	41.2
123.11707	2.9
129.06992	2.1
131.08574	4.2
133.10121	12.7
135.11691	47.8
143.08534	1.9
145.10136	3.6
147.11658	6.9
149.13268	20.8
150.24489	1.6
157.10178	2.4
159.11711	5.0
159.87578	1.5
161.13261	5.4
163.14806	5.4
171.11642	3.2
175.11050	1.5
185.13368	2.4
195.13907	2.3
221.15381	2.3
235.16975	3.0
244.18398	1.6
259.20654	3.3
277.21625	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01878	3.9
55.05516	5.9
57.07077	0.6
65.03925	1.1
67.05510	26.2
68.99782	3.1
69.03437	3.4
69.07071	2.8
69.66595	1.3
69.67004	2.0
69.81924	0.4
71.04994	1.5
79.05507	5.5
81.03404	1.0
81.07069	4.8
83.04978	0.8
83.08596	1.3
91.05484	8.2
93.07049	9.8
95.04976	4.9
95.08614	32.4
96.81810	0.5
97.06522	1.7
98.20888	1.5
98.21473	1.0
99.04468	0.9
105.04501	0.7
105.07018	1.4
107.04948	1.4
107.08580	2.4
109.06501	1.9
109.10169	5.3
109.10853	0.9
111.00767	0.8
111.04443	1.4
111.08089	3.0
114.93631	0.5
115.05509	0.7
117.07008	1.0
119.04948	0.9
119.08579	4.3
121.10191	1.0
123.04436	5.5
123.08064	1.0
124.01579	1.5
125.06001	1.1
133.06523	0.8
133.10144	1.0
135.08058	0.8
135.11688	1.3
137.05972	6.9
137.09624	14.6
139.03874	3.4
141.05481	9.6
143.08479	0.5
147.04449	0.7
151.03886	1.1
151.07565	3.6
152.01039	2.9
153.05475	38.4
161.05902	0.8
161.13432	0.8
163.03831	0.9
163.07555	1.1
165.05450	3.3
165.09120	1.2
167.03410	100.0
167.07037	4.4
169.04980	1.7
170.02118	3.1
175.07570	0.6
177.05492	7.0
179.07056	12.0
179.10683	0.5
181.04971	0.9
181.08588	1.8
187.07620	0.7
191.07050	2.5
193.08623	8.0
195.06534	2.1
203.07076	1.0
205.08615	1.1
207.10184	9.2
209.08144	1.4
215.06950	0.7
217.08601	2.1
217.12071	0.6
231.10091	0.8
231.13713	1.0
235.13286	0.6
235.16907	0.8
259.13321	14.7
277.03519	1.0
277.14362	18.9
277.17804	1.2
277.21277	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.27845	0.4
55.01874	3.2
55.05503	4.7
57.03431	0.7
57.66388	0.4
65.03947	0.8
67.05505	28.1
68.26311	0.4
68.99793	2.5
69.03439	2.9
69.07070	2.0
69.49845	2.5
70.50483	0.4
71.04997	0.7
76.75886	0.4
79.05491	4.0
81.03416	1.2
81.07059	4.4
82.92283	0.4
83.04979	0.8
83.08611	1.2
91.05485	6.9
93.07040	8.8
95.04964	4.0
95.08609	31.9
97.02879	0.6
97.06570	2.1
97.10151	0.4
98.20713	0.4
98.21235	1.2
99.04442	0.8
103.05466	0.8
105.07037	1.5
107.04985	1.9
107.08585	1.6
109.06538	1.3
109.10168	5.0
111.04460	0.9
111.08092	3.8
114.33620	0.4
117.06995	0.8
119.04955	0.6
119.08582	5.3
121.06450	0.6
121.10146	0.7
123.04425	4.9
123.11719	0.5
124.01588	2.1
125.05956	0.8
133.06487	0.5
135.07990	0.5
137.02333	0.7
137.05991	6.9
137.09621	12.7
139.03902	3.2
139.07506	0.5
141.05466	7.5
147.04396	0.7
147.11681	0.4
149.02330	0.5
151.03906	1.0
151.07570	3.8
152.01033	3.4
153.05469	38.9
161.09622	0.4
162.03157	0.7
163.07515	1.2
164.04524	0.5
165.05460	3.8
165.09108	1.1
167.03404	100.0
167.07028	3.9
169.04968	1.8
170.02112	3.2
175.07582	1.0
175.11252	0.5
177.05463	7.9
179.07027	12.2
181.08618	0.8
190.06398	0.5
191.07047	3.6
193.04854	0.5
193.08606	8.8
195.06505	1.9
203.06975	1.1
205.08701	0.5
207.06500	0.5
207.10175	10.3
209.08037	1.4
217.08624	3.0
217.12201	0.7
221.08090	0.5
231.10080	1.2
231.13776	1.2
235.16837	0.5
244.11003	0.5
249.53253	0.4
259.13306	13.2
277.03470	1.4
277.14346	16.1
277.17691	0.7
277.21509	0.6
286.10553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1435
Annotation	CHEBI:81310
Peak:m/z	Relative Intensity
53.03938	1.3
55.01883	2.4
55.05260	0.5
55.05510	5.3
57.03431	0.6
57.07056	1.0
57.30885	0.3
60.92698	0.3
65.03933	1.2
67.05508	22.1
68.99780	0.7
69.03122	0.4
69.03431	4.2
69.07069	2.4
69.70427	1.7
71.04980	1.1
79.05492	4.7
81.03436	1.6
81.07057	4.8
83.01346	2.8
83.04987	3.2
83.08630	1.2
84.12803	0.3
85.06518	0.4
86.17930	0.4
91.04958	0.5
91.05483	6.2
93.07050	10.1
95.04974	3.1
95.08609	35.4
97.02827	0.4
97.06488	1.8
98.21172	1.0
99.04527	0.4
99.08092	0.6
103.05490	0.5
103.74977	0.4
105.07036	2.5
107.04971	0.8
107.07996	0.3
107.08604	2.9
109.06522	1.6
109.10158	5.5
111.04451	1.1
111.08087	4.3
113.09649	0.5
117.06997	0.7
119.08591	4.3
121.02866	0.4
121.06526	0.9
121.10139	1.8
123.04442	1.0
123.08046	1.2
123.11716	0.7
125.02330	0.9
125.06007	1.9
127.03922	0.5
129.06970	0.6
131.08531	0.8
133.06483	1.9
133.10118	1.6
135.04408	0.5
135.08029	0.7
135.11673	1.5
137.05978	8.1
137.09621	10.8
139.03923	1.0
139.07593	0.5
141.05457	5.9
143.08568	0.5
147.11678	0.6
149.02335	0.5
149.05946	0.4
149.09724	0.3
149.13251	0.4
151.03903	0.7
151.07547	4.2
151.11171	0.6
153.01918	1.6
153.05472	29.5
161.05974	1.3
161.09647	0.8
161.13243	0.3
163.03905	1.2
163.07538	1.0
165.01854	0.7
165.05490	5.2
165.09065	1.8
165.12759	0.9
167.03406	100.0
167.07057	5.0
168.03760	0.7
169.04977	1.0
171.08014	0.4
171.11810	0.6
175.07552	1.5
175.14726	0.5
177.05478	7.0
179.03557	0.4
179.07051	11.5
179.10535	0.5
181.04951	1.2
181.08626	0.8
183.06462	0.5
185.04457	0.9
187.03926	0.5
189.09163	0.5
191.07057	4.0
193.05006	0.5
193.08614	8.9
193.10283	0.6
195.06577	1.6
203.07056	0.9
203.10774	0.4
205.08638	0.7
207.06651	0.4
207.10187	4.8
207.13829	0.4
209.08066	0.9
217.08630	2.0
217.12155	0.5
219.10187	0.7
221.08112	0.5
221.11639	0.8
231.02800	0.5
231.10118	0.6
231.13834	0.8
233.11688	0.8
235.09695	0.5
235.13336	1.1
235.16934	1.5
241.12199	0.6
259.02588	0.9
259.13312	12.7
259.20480	0.4
277.03448	2.0
277.14371	23.6
277.17691	1.0
277.21616	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0345
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
53.56908	0.2
57.07043	0.7
67.05479	0.3
68.97280	0.2
69.03402	0.7
69.07059	0.3
79.05457	0.5
81.02285	0.3
81.03395	0.3
83.12424	0.2
85.02887	0.5
89.23184	0.2
91.05486	2.0
93.07012	0.3
95.04897	0.3
97.02864	1.0
98.21129	1.4
100.04309	0.2
101.61821	0.2
102.04613	0.2
103.03491	0.3
103.05468	3.2
107.04945	0.4
119.04958	1.3
120.08038	0.3
123.04424	0.3
126.24390	0.2
127.03867	0.4
129.03349	1.4
131.04951	2.3
140.04665	0.4
141.03285	0.3
141.24252	0.2
144.07986	0.3
145.02821	0.3
145.06392	0.3
147.04410	3.4
151.03922	0.3
157.02861	4.0
159.04395	1.0
161.02376	0.4
161.07101	0.4
161.10782	0.3
163.03868	0.3
165.05347	0.3
171.00967	0.4
173.02295	0.4
175.03902	4.9
179.59140	0.3
182.05956	0.6
183.00613	0.3
185.02335	4.1
187.03906	10.0
189.10318	0.3
193.05055	0.3
203.03403	8.0
212.99876	0.5
213.01846	7.6
215.03407	7.7
216.12558	0.3
217.64223	0.3
230.02103	0.6
231.02902	32.3
231.14876	2.1
232.03279	0.3
235.16980	1.0
241.01338	5.6
242.07878	0.4
251.69336	0.3
259.02399	48.8
259.14432	3.6
260.02969	0.5
260.09369	0.3
268.53302	0.3
277.03448	100.0
277.15457	3.7
277.18057	0.7
278.03772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53474	0.4
52.13803	0.4
58.24338	0.4
58.24624	0.4
60.29912	0.4
69.32162	0.4
71.56258	0.6
74.43443	0.4
74.63807	0.4
98.97581	0.7
101.00878	0.8
103.00623	1.2
113.07146	0.6
115.00652	0.9
115.02374	0.8
119.01897	1.5
121.01665	2.1
124.55016	0.5
131.01909	0.9
133.01717	2.3
133.03493	2.5
143.01933	0.8
145.01689	1.1
145.03461	1.2
147.03201	1.1
147.09705	0.6
151.04482	1.1
155.01886	0.7
157.01555	2.8
157.03561	0.7
161.02969	1.1
169.01660	0.6
173.02960	1.6
175.02722	5.4
175.04462	0.8
181.03455	0.5
187.02733	1.8
187.04457	0.8
205.65396	0.6
217.01942	0.8
217.03772	0.5
217.05629	0.7
277.08948	100.0
278.09274	0.6
295.08624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1436
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
50.48397	0.6
51.53848	0.6
53.03935	2.7
53.67113	0.6
55.01866	1.9
55.05526	3.2
57.07065	1.3
65.03945	1.1
67.05505	8.4
69.03439	1.6
69.07063	2.9
69.20004	0.6
69.53577	2.7
69.54008	1.9
72.81822	0.6
79.05496	18.3
81.07062	50.4
83.01331	3.2
83.04977	2.2
85.37015	0.6
91.05499	3.8
93.07050	5.3
95.04961	2.3
95.08609	13.2
97.02882	1.5
97.06514	2.6
98.21240	2.4
99.08083	0.9
100.19193	0.6
105.07039	3.4
107.04954	2.4
107.08589	2.5
109.06559	1.2
109.10162	1.5
111.08083	0.7
117.07007	0.7
119.08633	3.3
121.06499	1.9
121.10136	1.6
123.08074	15.4
125.05959	1.5
129.06937	0.8
131.08536	0.9
133.06573	0.7
135.08104	1.3
135.11722	0.8
137.05980	2.3
137.09630	1.3
139.03914	2.4
139.07536	2.8
145.10135	0.8
147.08026	3.2
149.02332	4.9
149.05975	1.0
151.07553	13.1
153.01868	1.3
153.05496	2.5
155.07043	11.5
155.08273	1.3
161.05983	2.2
161.09668	1.2
162.06778	0.7
163.07567	1.0
165.05501	2.1
165.09158	6.0
167.03293	0.9
167.05621	1.6
167.07054	32.4
175.07536	5.1
177.05495	2.7
177.09149	0.7
179.03473	1.0
179.07045	21.7
181.04970	100.0
181.08534	2.8
182.05331	0.8
185.13187	0.9
189.09065	1.6
191.07037	7.6
193.08618	26.7
195.06490	0.9
203.10631	1.6
205.08658	3.8
207.06638	1.0
209.08102	1.3
217.08669	1.1
217.12297	0.8
221.08080	1.5
231.03084	0.9
231.10185	4.0
231.13863	2.0
233.11815	1.7
235.13281	1.8
235.17082	1.2
241.12125	0.7
259.13297	17.8
277.03534	2.2
277.14368	36.2
277.17682	1.6
277.21442	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	277.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	10.9
57.07064	2.1
68.38858	1.5
69.91542	8.9
71.73057	1.7
79.55667	1.6
84.85404	1.5
98.20904	2.8
98.21414	2.3
98.97588	100.0
101.00854	3.6
116.98624	63.3
119.01917	14.8
121.01652	1.9
131.01874	3.5
134.99664	29.9
137.02989	2.4
143.01888	4.4
153.00668	1.8
157.03456	2.5
161.02963	12.6
162.35986	1.6
163.02739	2.0
163.03973	12.8
173.02902	2.0
175.02927	1.9
175.04562	3.4
177.00981	10.4
177.05449	1.9
179.00719	2.5
185.02849	2.2
187.04506	2.0
192.94910	2.4
201.06189	1.8
210.95929	6.6
219.02013	5.0
234.95779	2.8
235.17056	3.3
235.86615	1.6
240.98618	4.5
252.97000	5.9
258.99771	64.0
263.02936	1.8
267.95728	2.3
272.01392	1.6
276.66620	1.8
276.97186	10.3
277.00824	92.4
277.05057	3.7
277.07727	13.6
277.18011	2.1
278.01169	2.2
282.01221	2.3
294.98032	6.5
295.08752	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	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
53.24932	8.4
60.82296	8.9
65.34694	9.7
69.84676	54.2
69.85010	11.6
76.90315	10.0
78.54958	8.9
87.60645	10.3
98.20918	20.5
98.21449	13.3
115.34294	12.2
119.01935	12.5
150.60710	9.0
158.18541	10.5
161.03033	10.0
175.02719	10.4
231.03004	10.8
259.02087	10.2
277.03305	100.0
277.09091	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	277.0343
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
56.73746	0.2
57.07065	0.2
63.62392	0.2
68.95946	0.2
70.03876	0.8
77.03894	0.2
91.05053	0.2
91.05482	2.1
94.00884	0.2
98.21144	0.6
103.05471	2.4
105.03378	0.3
105.06927	0.2
111.75633	0.2
115.25043	0.2
115.51373	0.2
119.04939	1.1
127.03832	0.2
129.03329	1.4
131.04922	1.9
137.50388	0.2
141.22491	0.2
141.42537	0.2
145.02924	0.3
147.04404	3.3
157.01668	0.3
157.02858	4.2
159.04387	0.4
163.03979	0.3
171.00838	0.2
173.02341	0.5
175.03899	4.6
185.02315	4.0
186.09212	0.2
187.03900	8.7
202.02461	0.2
203.03387	7.6
213.01828	7.3
215.03380	6.4
230.02029	0.4
231.02882	31.9
232.03215	0.5
235.16919	0.5
241.01320	6.4
259.02380	44.2
260.02924	0.7
277.03430	100.0
278.03729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23457	0.4
53.03950	2.4
53.98900	0.5
55.01869	1.6
55.05511	0.4
56.05028	0.6
56.96570	6.6
57.03442	2.6
57.05814	0.5
57.14877	0.4
58.06597	0.8
60.04516	0.5
61.02924	1.3
67.01868	0.4
67.05511	0.7
68.05037	0.7
69.03067	0.8
69.03435	14.9
69.03811	0.7
69.06718	0.7
69.07074	11.8
69.91834	1.3
69.92236	0.8
70.06580	1.0
70.71446	0.4
70.98109	0.4
71.04980	2.3
72.93797	0.4
73.02912	1.7
79.01855	0.7
79.05494	0.7
81.03425	14.8
83.01319	0.5
83.04985	0.7
84.04506	1.2
84.08147	1.8
84.96059	0.7
85.02911	8.9
86.06071	0.5
86.09711	100.0
87.03222	1.9
87.04465	0.8
88.04015	2.7
91.03962	0.5
95.08628	0.5
96.04505	0.5
96.08154	0.5
97.02902	19.9
98.09722	2.0
98.21255	0.9
98.97592	5.5
99.04457	4.5
101.00884	1.2
102.00990	0.4
104.02486	0.6
109.02889	40.4
109.06534	0.7
110.06068	0.6
110.97587	1.8
111.97869	0.5
112.03968	0.9
113.02340	0.8
114.05555	2.1
116.98657	2.9
119.01924	3.6
120.01986	3.6
121.01664	0.8
123.04464	0.5
123.12079	0.4
125.02381	0.5
126.05508	0.8
127.03928	18.4
128.10728	1.2
128.98634	1.8
129.03290	0.5
131.01938	1.6
131.96164	0.8
132.02022	0.6
132.10211	12.2
132.52385	0.5
133.01747	0.5
133.03493	0.7
134.99669	1.7
137.02980	1.2
137.06013	0.5
138.03004	1.1
138.05521	0.7
140.04608	0.6
140.10814	0.5
143.00238	0.6
143.01872	1.1
143.03517	0.6
143.05791	0.7
144.02176	0.4
144.10229	0.8
145.03566	1.0
145.04988	4.3
146.03622	2.1
146.99704	1.5
148.00050	0.6
153.01834	8.0
154.02121	0.8
154.94275	0.5
157.03564	0.5
158.03561	0.7
158.99672	0.8
159.05081	0.5
160.05272	1.4
161.01244	0.8
161.02965	0.9
161.06865	1.0
162.03152	0.8
164.04643	0.6
164.10820	0.6
168.10226	0.5
170.99715	0.6
172.95349	0.8
173.03131	0.6
173.04457	2.4
174.03146	0.6
174.96915	0.5
174.99181	3.1
175.04031	0.6
175.99533	2.2
176.04601	0.4
177.00829	0.9
177.02354	0.5
177.05922	0.6
178.06253	0.6
182.03366	0.7
182.11914	0.4
185.02853	0.9
186.03098	0.5
187.04158	1.0
188.03148	0.5
188.04799	1.3
189.00850	0.6
190.02652	0.7
191.03989	0.8
191.05580	1.2
193.00185	3.8
194.00513	4.0
194.11804	5.6
195.53955	1.7
201.00624	0.5
203.03712	1.7
204.04216	1.7
206.05893	0.5
207.01767	0.6
208.00217	0.7
211.01044	0.7
212.12758	3.2
213.01996	0.9
215.03424	0.7
219.01878	0.7
228.01920	0.5
230.02161	1.1
230.13890	6.6
231.02962	3.4
232.03729	1.1
235.01187	0.5
237.02861	1.3
240.08859	0.5
242.00468	0.7
244.99750	1.6
247.03067	0.5
248.03076	1.9
248.14970	1.1
249.99464	1.2
252.02867	0.8
252.91782	0.7
253.03917	1.1
256.00430	0.7
258.13397	11.5
259.02472	5.7
263.00803	2.0
263.99197	1.3
264.49417	0.5
267.51151	0.7
270.93094	0.5
271.04910	1.7
272.04715	0.5
272.99686	0.8
276.02588	3.7
276.06281	1.1
276.11502	1.2
276.14374	10.3
276.17334	0.7
277.03439	11.4
287.00766	1.3
294.03839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	2.2
55.05264	1.1
55.05517	14.6
57.03428	3.5
57.07067	2.5
58.07409	1.0
60.47760	0.8
62.74003	0.8
65.03960	1.1
67.05167	1.7
67.05508	20.7
69.03419	1.4
69.07070	10.4
70.06595	4.1
70.09937	3.7
70.10272	0.9
71.04990	4.5
71.08647	1.1
73.86652	0.8
77.03934	1.0
79.05496	26.4
81.03410	1.6
81.06579	1.5
81.07061	30.4
83.04977	3.7
83.08617	4.5
85.06548	1.6
88.07646	4.4
91.05490	34.3
93.07053	21.2
95.04982	5.9
95.08617	15.2
97.06545	1.9
97.10176	1.7
98.20930	1.6
98.21490	1.2
99.08083	0.9
103.05448	2.0
105.07040	49.5
106.07878	0.7
106.08650	2.5
107.04960	8.9
107.07951	1.5
107.08594	16.5
109.06544	9.4
109.10156	6.4
111.08062	2.7
114.94048	0.9
117.07027	9.5
119.08585	33.9
120.71574	0.8
121.06513	3.3
121.10154	11.0
123.08081	6.1
123.11728	1.7
123.15960	0.8
125.09666	1.5
128.06161	1.0
129.07008	3.6
130.07791	1.4
131.08585	12.7
133.06487	1.3
133.09096	1.5
133.10138	30.0
135.08067	5.6
135.11685	5.4
137.09607	3.8
137.52721	0.9
142.07796	1.2
143.08560	5.1
145.10123	13.1
147.08066	2.0
147.11700	16.6
149.09630	7.0
149.13307	1.7
151.11156	1.9
155.08592	1.1
157.10123	5.2
159.08052	1.0
159.11703	12.8
161.09616	2.3
161.13246	5.6
163.11209	4.1
163.14796	1.0
165.12701	1.3
169.10066	1.0
171.11707	2.8
173.13310	8.1
175.11211	3.3
175.14841	1.9
177.12735	2.6
183.11729	3.1
185.13249	2.3
187.11182	1.3
187.14780	2.0
191.14297	2.3
197.13281	2.5
199.14781	2.1
201.12747	2.4
201.16335	1.9
203.14354	3.2
210.27135	0.8
213.16472	2.3
215.18022	2.3
217.15799	1.2
229.19615	2.4
233.18939	1.0
239.17984	4.2
247.20569	2.7
257.19012	12.2
257.26733	2.1
257.50912	0.8
275.20074	100.0
275.27762	34.1
276.20563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	2.6
55.01862	2.7
55.05510	21.1
57.07060	4.3
65.03925	1.6
67.05506	16.3
69.03445	8.4
69.03739	2.1
69.07071	13.1
71.04983	4.0
71.57117	1.9
79.05067	1.9
79.05495	31.5
81.03409	4.3
81.07060	28.1
83.04984	13.9
83.08618	5.6
85.02898	2.2
85.06069	2.0
85.06552	32.5
88.91000	1.6
89.22852	1.3
89.68112	1.2
91.04977	1.5
91.05489	17.3
93.07050	25.2
95.04933	5.6
95.08034	2.1
95.08607	23.6
97.02877	1.7
97.06516	5.6
97.10129	1.9
98.21352	1.7
99.08080	10.3
101.00845	1.8
103.05466	2.0
105.07030	34.6
107.04961	14.1
107.08600	28.1
109.02890	2.4
109.06496	7.2
109.10165	19.7
111.04461	1.5
111.08058	5.3
113.00838	1.4
113.06014	1.8
113.09631	4.2
117.06990	5.3
119.01911	4.6
119.08586	35.4
121.02816	1.4
121.06529	7.3
121.09301	2.7
121.10142	36.3
122.07320	8.3
123.08068	4.8
123.11705	4.7
125.05950	2.3
125.09649	9.6
127.07543	2.3
129.07016	5.6
130.07806	1.7
131.01889	3.3
131.04900	3.8
131.08577	13.4
133.06482	2.4
133.09213	2.2
133.10138	23.4
135.08046	11.2
135.11694	12.6
136.60059	1.3
137.05974	1.9
137.09622	60.3
139.11183	4.9
143.08533	4.6
145.03362	1.7
145.06471	3.1
145.10135	16.6
147.08014	5.8
147.11684	16.2
149.02348	4.5
149.09610	13.4
149.13269	6.0
151.11218	3.3
153.09152	2.3
155.01886	6.3
155.08562	2.2
157.10158	8.6
158.10849	2.5
159.08060	3.2
159.11699	16.0
161.02922	1.6
161.09665	7.4
161.13263	29.0
163.07581	2.4
163.11185	13.3
163.14839	4.7
167.10548	1.7
169.06380	1.4
169.10104	2.9
170.10912	1.5
171.11673	4.7
173.03021	2.8
173.09677	3.3
173.13295	18.9
175.07553	2.9
175.11186	5.5
175.14816	4.7
177.09193	1.9
177.12764	3.3
179.10565	1.8
183.11700	3.7
185.03004	1.6
185.13228	2.5
187.11156	4.9
187.14885	7.6
189.12740	3.1
189.16418	3.9
191.10616	1.4
191.14272	12.6
197.13397	2.8
199.14828	7.0
201.12805	11.0
201.16374	1.9
203.07022	3.4
203.14198	2.1
213.16367	2.2
215.14296	6.3
215.17937	7.2
217.15915	11.7
219.13808	10.4
229.19502	4.4
233.04930	3.0
239.17979	8.3
242.10464	1.6
257.19012	21.8
257.21771	2.1
257.22787	2.4
275.09158	2.3
275.13477	6.2
275.16766	5.6
275.20065	100.0
275.23462	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	275.0916
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.01597	0.1
51.02374	0.1
53.03954	0.6
55.01865	0.1
65.74843	0.1
67.01858	0.3
67.05495	0.1
68.99796	0.1
70.90907	0.2
77.03928	0.2
79.05491	1.1
81.03397	0.1
83.04963	0.1
85.02908	0.2
95.04958	0.9
98.21030	0.2
105.04536	0.3
107.04960	100.0
108.05272	0.4
109.27248	0.1
112.67139	0.1
115.12411	0.1
121.06530	0.2
123.04427	0.4
127.03915	1.1
131.04936	0.1
143.18170	0.1
149.05980	0.7
151.03917	1.4
169.04974	9.8
181.04956	0.1
202.66374	0.1
212.55690	0.1
223.65408	0.1
227.18440	0.1
232.46759	0.1
275.09140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
53.03938	1.2
55.01873	7.7
55.05529	1.1
65.03923	1.2
65.51852	1.1
67.05495	2.2
68.99785	3.3
69.03449	5.7
70.06580	1.1
70.68710	3.0
71.04680	1.3
71.04996	11.1
73.06538	2.2
73.08219	1.1
74.62338	1.0
79.05467	1.6
81.03429	1.7
81.07036	1.1
85.02892	3.8
85.06490	1.2
91.05478	7.2
93.07016	1.2
97.02912	2.1
98.21424	1.5
101.05997	2.1
103.05448	4.3
104.06264	2.2
105.07017	2.5
107.04940	3.4
109.02866	2.0
113.02367	1.3
113.05945	1.5
114.05515	1.2
115.05459	29.0
116.06217	4.8
116.10726	2.4
117.05483	4.5
117.07026	5.7
118.04159	3.1
128.06238	7.7
129.03377	4.0
129.06987	10.9
130.04095	1.4
130.07764	3.1
131.04926	10.7
131.08557	6.7
132.05736	8.5
133.06480	1.8
135.04341	2.5
139.05449	3.3
140.06219	3.8
141.06993	56.8
143.04947	11.7
144.05704	15.1
145.02928	1.4
145.06505	12.0
146.03633	14.8
147.04416	5.5
147.07936	1.2
149.02405	1.9
152.06183	1.7
153.06973	4.6
155.04915	7.6
155.06064	2.0
155.08585	3.5
157.02866	10.2
157.06479	19.7
158.07307	13.8
159.04378	3.4
159.08064	11.8
160.05203	10.5
161.06009	20.5
162.03145	3.2
163.03897	3.2
165.05701	1.2
165.07011	5.9
167.03413	2.8
167.04797	1.5
168.05721	15.3
169.06499	50.4
170.03697	1.2
170.07350	3.1
171.04425	22.3
171.08134	2.0
172.05157	7.9
173.02438	1.2
173.06004	12.7
173.09587	2.9
173.73178	1.1
174.03111	3.2
175.03914	3.6
175.07567	8.2
176.04683	4.0
177.05492	9.5
179.07042	2.6
181.06566	1.4
183.04442	3.3
183.08040	7.4
184.05188	1.3
185.02357	1.5
185.05991	11.3
186.06764	28.0
187.03920	2.4
187.07562	22.1
188.04652	7.1
189.05472	29.1
190.06255	4.0
191.03372	8.7
191.07047	21.8
192.04193	1.9
196.05212	8.1
197.05991	46.6
198.06726	4.5
199.03937	10.6
199.07596	1.3
200.04712	13.3
201.01782	2.2
201.05455	8.4
201.09100	14.6
203.03377	2.0
203.07024	19.1
204.07797	8.7
205.08633	5.7
211.07552	9.4
213.05464	6.3
214.06252	18.4
215.07025	45.8
216.04379	2.3
216.07767	1.6
217.04991	10.3
218.05739	1.9
219.10223	3.3
225.05443	6.1
226.06264	4.2
227.07047	1.8
228.04173	3.6
229.01453	1.5
229.05109	6.9
229.08600	31.9
230.05652	2.8
231.06506	25.2
232.07208	6.9
233.04463	3.5
233.08154	2.8
239.07054	4.4
242.05762	10.7
243.06554	34.0
244.07253	3.0
245.04506	14.4
245.08119	2.0
247.02354	3.1
247.09619	34.0
257.04578	3.8
257.08102	26.2
259.05978	1.9
260.06812	53.3
275.01965	5.1
275.05722	3.8
275.09134	100.0
275.13834	3.2
276.02637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.2
56.98493	3.1
57.07080	4.0
59.04993	9.4
67.05505	6.8
69.07076	22.0
71.29904	5.4
79.05489	7.1
81.03430	3.6
81.07056	69.5
82.07374	3.4
82.63239	3.5
85.06556	4.0
91.05464	5.4
93.07037	16.3
95.08608	21.8
97.10129	3.4
98.97602	4.3
105.07011	7.2
106.07358	4.4
107.04975	4.2
107.08595	16.4
109.10154	10.0
111.11722	20.0
119.08576	8.9
120.08934	3.9
121.10131	8.4
123.04346	3.2
123.11731	6.2
125.09681	5.4
133.10112	8.1
135.11688	10.1
139.11180	10.5
147.11740	6.2
149.13254	3.6
158.99681	4.5
161.13167	5.9
163.14828	100.0
172.21956	2.9
203.17984	22.0
221.18990	48.8
231.11317	2.9
274.15240	6.4
274.18292	6.4
274.27252	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	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11374	0.7
56.96553	1.3
58.99863	1.9
61.02912	2.8
67.05489	1.7
69.03426	2.1
69.76420	2.0
69.76827	2.1
70.99825	0.8
73.02914	1.7
77.00890	2.6
79.38333	0.7
81.03389	1.1
81.73705	0.7
82.99841	1.6
83.04985	1.2
85.02908	2.9
86.03179	0.9
89.00916	1.9
91.03966	1.8
93.03358	1.0
95.04950	1.7
95.06047	0.8
97.02882	3.0
98.20771	1.5
98.21444	1.7
98.97578	1.9
100.64713	0.7
101.00877	22.9
103.00704	0.7
107.01974	0.7
109.01382	1.0
111.04452	0.7
111.52198	0.7
113.00897	1.8
113.07104	1.6
114.05525	1.9
115.02412	1.6
116.98605	1.3
117.03984	1.4
119.01920	63.0
120.02042	0.8
121.02871	3.2
127.02417	8.6
127.03892	0.8
131.01920	4.5
133.03468	2.2
137.01927	1.5
137.02933	11.3
139.02376	1.8
139.03951	0.9
141.61711	0.7
143.01903	7.5
143.05537	1.4
145.03461	38.7
147.01399	1.6
151.02425	1.2
153.03983	1.3
155.01884	3.4
157.03464	14.9
159.05078	4.8
161.01634	1.3
161.02959	11.3
163.04529	2.9
167.01866	2.8
169.03464	37.2
171.05025	7.4
173.03023	4.1
175.04593	3.7
177.00803	1.1
177.06116	2.0
185.02950	19.5
185.06546	1.7
187.04515	46.6
188.04636	1.0
189.02475	3.8
189.06007	1.4
193.05470	2.2
193.55681	1.8
195.05064	4.4
197.02943	8.3
203.04010	10.5
205.05612	6.7
207.03473	1.3
208.04718	0.9
211.04572	3.2
213.02422	3.1
213.06100	2.7
215.00450	1.0
215.04004	10.8
221.02919	2.1
221.05008	9.4
222.05121	0.8
223.04987	0.9
224.04382	1.0
229.05569	26.0
231.03470	3.4
233.01494	1.1
237.02798	1.1
239.04016	1.1
239.06122	8.2
245.05013	1.8
247.06619	14.8
249.04456	2.0
256.97574	1.5
257.05139	3.7
265.05743	1.6
266.06308	1.2
275.06104	100.0
276.06363	2.0
292.89539	0.8
293.07138	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03943	1.9
55.01873	3.5
55.05518	16.4
57.03443	1.6
65.03947	1.6
67.05511	19.7
69.03431	3.9
69.07074	8.7
70.17590	1.9
70.17983	2.5
71.04987	3.4
79.05494	16.0
81.03418	1.3
81.06641	1.7
81.07066	20.1
83.04987	2.6
83.08622	7.9
91.05482	30.7
93.07058	11.5
95.04981	15.6
95.08611	12.9
97.06544	3.0
97.10175	3.9
98.20844	1.1
98.21358	1.4
103.05470	1.4
105.07036	27.8
107.04977	7.7
107.08617	7.3
109.06523	3.1
109.10185	2.4
111.04461	1.0
111.08064	1.7
115.05448	3.4
116.06254	3.3
117.07030	23.2
119.02133	1.0
119.08588	15.9
121.06524	8.7
121.10134	4.3
123.04422	1.8
123.08047	1.8
125.09628	2.1
128.06189	4.9
129.07018	16.1
130.07776	3.7
131.04892	1.1
131.08578	46.6
133.06487	8.8
133.10146	9.5
135.04477	1.6
135.08070	3.6
135.11732	1.5
141.06981	3.0
142.07773	2.3
143.08566	27.0
145.06465	3.5
145.10138	41.0
146.07231	1.1
147.08069	11.7
147.11694	3.6
149.09625	2.5
151.11119	1.0
153.01904	2.8
153.07024	1.1
155.08583	3.8
157.10155	12.3
159.08113	2.9
159.11713	11.1
161.05951	1.1
161.09660	7.3
161.13309	1.5
163.11162	2.0
169.10114	4.8
171.08121	1.3
171.11717	6.5
173.09610	2.5
173.13223	1.9
175.07622	1.2
175.11200	3.3
181.10210	2.4
183.11682	1.3
185.09604	1.6
185.13214	2.2
187.11227	2.0
187.14835	2.0
189.12762	2.1
191.07022	1.3
195.11739	4.0
197.13342	1.9
199.11212	1.3
203.14108	1.1
211.14920	1.8
213.12852	1.5
213.16359	2.4
215.14316	3.6
227.17928	2.2
231.17461	12.8
237.16388	6.0
245.19107	3.7
255.17465	10.6
273.11215	5.3
273.15286	4.3
273.18512	100.0
274.18887	1.4
274.27414	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03953	2.0
55.01869	3.2
55.05260	1.4
55.05512	21.4
55.46896	0.7
57.03415	1.2
57.07072	1.3
59.05016	1.7
65.03925	1.7
67.05508	16.5
69.03423	1.5
69.07073	7.4
69.84868	1.4
69.85276	2.8
71.04996	5.2
79.05054	1.1
79.05495	15.4
81.03439	1.0
81.07063	18.8
83.04976	2.8
83.08619	7.7
85.02921	1.2
91.05482	32.0
93.03455	0.8
93.07047	12.3
95.04977	13.1
95.08608	8.3
97.06511	1.7
97.10188	4.7
98.21224	1.9
103.05443	2.3
105.07039	26.0
105.07755	1.2
107.04948	6.6
107.08604	6.9
109.06524	2.1
109.10130	2.1
112.72181	0.8
115.05445	4.5
116.06216	2.4
117.06207	1.4
117.07018	22.7
119.08578	13.6
121.06509	7.8
121.10159	3.8
123.04459	1.3
123.08073	2.3
125.09628	2.6
128.06206	7.5
129.07010	14.2
130.07822	4.8
131.04895	0.9
131.08574	58.3
133.06516	10.7
133.10110	7.6
135.04434	5.2
135.08051	2.8
135.11673	1.6
137.09610	1.6
141.06975	2.7
142.07767	2.6
143.08560	39.1
144.09335	1.6
145.06500	2.5
145.10130	41.7
147.08052	11.9
147.11671	2.4
149.06036	1.1
149.09615	1.7
154.07892	0.9
155.08545	4.5
157.10149	11.3
159.08064	1.0
159.11682	8.6
161.09621	6.5
163.07471	1.0
163.11243	1.9
167.08563	1.6
169.10149	6.2
171.11711	8.3
173.09621	1.8
173.13338	1.8
175.11143	3.5
181.10129	2.9
181.77017	0.7
183.11710	1.4
185.09619	1.4
185.13251	2.2
187.14822	2.5
189.12755	1.0
191.10638	0.7
195.11746	4.8
197.13300	4.8
199.14903	1.0
203.86624	0.9
209.13196	0.9
213.12778	0.7
213.16376	4.5
215.14302	4.6
219.50487	0.8
227.17970	2.7
231.17444	15.1
237.16402	8.2
245.19052	1.7
254.31844	0.8
255.17426	13.9
273.18500	100.0
273.29843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.08154	2.4
53.03926	2.8
55.05514	22.0
57.07064	10.5
67.05170	3.0
67.05504	35.2
69.06728	3.5
69.07071	50.4
69.92799	11.3
79.05501	19.3
81.07058	82.9
83.08631	20.9
91.05492	22.5
93.07051	50.0
95.04956	3.2
95.08613	96.2
97.10178	13.1
98.20815	2.9
105.07037	35.4
107.08593	59.1
109.10161	61.0
111.11718	5.2
117.07036	2.4
119.08588	31.2
121.10143	52.2
123.11712	39.4
131.08574	3.6
133.10130	26.4
135.11697	34.7
137.13232	12.2
143.08580	2.4
144.86853	2.7
145.10104	5.2
147.11703	27.9
149.13271	50.2
151.14803	7.1
159.11661	2.9
161.13255	31.4
163.14835	34.2
165.16432	3.6
175.14807	12.4
177.16368	18.8
180.13622	2.5
189.16383	24.0
191.17952	8.7
197.80615	2.0
202.26654	2.2
203.10896	2.3
203.17979	18.3
217.19534	25.9
228.94225	2.1
231.21043	4.8
239.93394	2.3
273.14822	8.6
273.18649	10.8
273.22739	5.5
273.25781	100.0
277.29504	3.0
294.19238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03940	0.8
55.01878	0.7
55.05506	1.9
57.07059	0.5
64.06810	0.4
65.03940	0.7
67.01868	3.0
67.05508	2.3
68.99795	1.5
69.03448	2.3
69.03749	0.5
69.07076	3.1
70.24568	0.4
71.56580	0.5
79.01852	0.5
79.05489	1.8
81.03413	1.2
81.07061	6.2
83.04974	0.8
83.08605	1.1
85.02888	0.5
85.06532	0.6
91.05482	9.1
93.07040	4.0
95.04958	2.8
95.08608	6.4
96.08881	0.4
97.02885	1.0
97.10184	0.9
98.21165	0.5
105.07040	3.2
107.04971	2.6
107.08604	5.6
109.06533	0.7
109.10167	4.1
111.00779	0.7
111.04455	0.4
111.08149	0.4
119.04951	17.7
119.08588	2.6
120.08121	0.5
121.02870	0.4
121.06537	1.0
121.08873	2.1
121.10146	3.0
123.04433	5.9
123.11713	2.2
128.06226	0.5
129.06987	0.5
131.08572	0.8
133.06494	0.9
133.10110	1.9
135.08025	0.5
135.11678	2.4
137.13261	0.8
142.07828	0.6
143.08527	0.7
145.06476	0.4
145.10133	1.1
147.04414	45.5
147.11693	1.7
148.04744	0.5
148.07625	0.5
149.05969	0.9
149.08391	2.5
149.13203	2.2
151.03911	1.2
151.07524	1.0
153.01833	100.0
154.02150	0.7
157.06534	0.6
157.10159	0.8
159.08083	0.6
159.11699	1.0
161.09529	0.5
161.13266	1.3
163.14827	1.7
164.64238	0.4
171.02861	4.7
171.11710	1.0
173.09634	0.6
173.13269	0.5
175.11159	0.5
175.14827	1.1
177.16376	1.5
179.03395	0.9
181.06541	1.3
185.06107	0.4
185.09669	0.7
185.13255	0.6
187.14912	0.7
189.05533	0.9
189.09084	0.4
189.12726	0.4
189.16347	0.5
191.17851	0.5
195.08224	0.4
201.16328	0.5
203.10678	0.7
203.14285	0.4
203.17975	0.8
206.62813	0.4
213.09096	1.1
213.16357	0.5
215.14345	0.7
217.19533	1.6
227.14417	0.4
228.28595	0.5
231.06400	0.5
241.08499	0.7
255.06516	0.9
255.11325	1.5
255.17485	1.1
258.05029	0.4
273.07587	69.9
273.11096	2.4
273.12256	2.0
273.15576	1.3
273.18591	3.6
273.22583	0.9
273.25742	6.7
274.07907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03945	0.3
55.01873	0.5
55.05513	0.3
56.43330	0.2
57.07073	0.3
61.47410	0.3
65.03941	0.7
67.01870	2.8
68.99792	2.7
69.03438	2.6
69.07066	4.6
69.44383	2.2
79.05511	0.6
81.03415	0.6
81.07052	0.6
83.01320	0.4
83.05002	0.5
85.02930	0.4
87.08158	0.3
91.05482	7.2
95.04984	1.9
95.08656	0.4
97.02888	1.5
98.20860	0.6
98.21509	0.6
105.07019	0.5
107.04950	2.2
109.02863	0.3
109.10178	0.5
111.00829	0.5
115.05458	0.6
115.07558	1.2
117.07032	0.3
119.04947	16.2
119.08573	0.3
121.02895	0.8
121.06522	1.2
123.04431	4.9
127.03907	0.6
129.01779	0.4
130.64799	0.3
137.02350	0.3
147.04413	43.7
148.04736	0.5
149.06015	0.6
151.03902	1.0
153.01830	100.0
154.02176	1.0
161.06007	0.5
171.02888	3.8
171.04245	0.5
179.03410	1.2
181.06512	0.7
189.05434	1.4
192.13484	0.3
199.03940	0.5
203.03334	0.7
207.06543	0.4
210.82771	0.3
213.09137	0.4
217.04930	1.9
227.03258	0.5
231.06429	0.4
245.04500	2.3
255.06557	1.2
256.09625	0.4
273.04114	6.0
273.07559	74.5
274.07944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04678	0.3
53.03936	0.3
55.01870	0.6
56.96569	0.7
57.90288	0.3
62.01538	0.3
65.03941	0.6
67.01870	2.8
67.29473	0.3
68.99776	2.3
69.03435	2.2
69.26995	0.3
71.57152	0.3
71.57545	0.4
72.09754	0.3
76.53226	0.4
81.03420	0.4
81.07030	0.5
83.01322	0.6
83.04997	0.5
91.05486	8.3
93.07088	0.4
95.04958	2.5
97.02886	1.4
98.97585	0.7
105.07062	0.4
105.40627	0.4
107.04973	2.6
111.00826	0.7
115.05403	0.4
119.04954	16.8
121.06500	1.3
123.04434	5.8
124.09582	0.3
125.09630	0.4
131.08540	0.3
132.34816	0.3
147.04420	42.1
151.03940	0.8
153.01837	100.0
154.02158	0.7
170.99617	0.4
171.02928	4.0
171.04317	0.5
179.03406	1.0
181.06534	0.5
189.05431	1.2
217.04959	0.3
229.05034	0.4
231.06841	0.4
241.35954	0.3
245.04495	0.6
255.06494	0.6
255.14912	0.5
273.07587	77.0
274.04776	0.6
274.07883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03935	0.3
55.01871	0.3
55.05513	0.3
58.41986	0.2
63.28828	0.3
67.01865	4.6
68.99783	2.5
69.03424	2.0
69.34701	2.5
79.05533	0.3
81.03411	0.5
81.07028	0.3
81.83166	0.3
91.05486	6.1
93.07064	0.6
95.04977	2.1
95.08630	0.3
97.02891	1.3
98.21116	1.4
107.04961	2.2
107.08579	0.4
111.00793	0.8
119.04949	14.3
121.02888	0.6
121.06516	1.2
123.04449	4.2
125.02377	0.5
129.01851	0.5
145.06473	0.3
147.04416	39.1
149.05983	0.6
151.03873	0.8
153.01836	100.0
153.06934	0.8
154.02116	1.0
161.06056	0.5
171.02899	11.0
175.11444	0.3
177.87634	0.3
179.03394	1.2
181.06488	0.8
187.07597	0.4
189.05496	1.0
231.06525	1.2
241.08524	0.3
255.06534	0.5
273.07578	65.6
274.07956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	5.6
57.04356	0.8
64.57345	0.9
65.03929	1.9
67.05493	2.5
68.99782	4.2
69.03413	1.7
69.07061	2.4
69.92097	3.5
69.92513	1.6
70.06586	5.6
71.04967	1.6
73.19479	1.0
78.53565	0.9
79.05487	2.9
81.03405	1.4
81.07050	4.7
84.96562	1.0
85.06544	6.2
86.09692	3.7
89.03919	1.3
91.05481	15.0
93.07062	2.6
95.04975	4.6
95.08594	2.2
97.02888	1.0
98.97575	1.2
103.05453	0.9
105.07005	2.6
107.04962	5.7
107.08569	2.0
109.02856	3.2
109.06509	2.3
109.10120	1.0
114.39965	0.9
114.85120	1.0
115.05448	3.1
116.07085	10.5
118.04124	1.2
118.35884	0.9
119.04964	10.3
119.08595	1.2
121.06483	4.9
122.03635	1.0
123.04422	2.1
127.03925	1.3
128.06215	1.6
128.10732	1.4
129.06963	3.8
135.04396	1.4
137.05991	8.2
140.06171	2.3
141.06996	8.1
145.06470	2.0
147.04396	1.6
147.08051	1.7
149.05983	2.8
150.06763	1.5
152.06226	8.4
153.01758	0.9
153.05727	2.1
153.06996	34.9
154.07764	5.4
155.04904	2.6
155.08542	19.2
157.06493	5.4
165.07002	83.8
166.07564	1.2
167.08636	1.6
168.05696	12.7
169.06514	8.2
170.07294	2.6
171.08102	1.3
173.05954	3.0
179.04846	1.6
181.04973	1.6
181.06480	21.0
182.07260	5.4
183.04495	2.3
183.08054	39.6
185.05995	8.3
187.07513	1.2
193.06325	13.0
194.07256	2.1
195.08037	1.5
196.05214	7.9
197.05942	8.7
197.09593	1.7
198.06679	1.4
199.07536	2.3
200.08307	4.1
201.05429	2.8
203.07039	1.2
207.04437	3.5
209.05960	3.4
210.06731	5.5
211.07547	44.5
212.08392	6.3
213.05417	2.1
215.10631	1.2
215.30122	0.9
221.05948	17.5
225.05530	1.7
225.08987	4.8
227.07057	1.5
228.07726	5.0
229.04904	3.8
238.06241	1.5
239.07076	9.2
240.07790	1.7
242.09401	5.0
243.06543	1.9
243.10117	5.2
256.07190	2.1
257.08102	1.3
271.06085	17.0
271.09634	100.0
272.09927	1.2
278.00238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13756	1.6
55.01873	10.8
55.05518	11.5
57.03440	24.3
57.07072	3.1
65.03960	2.2
67.05506	55.4
69.03432	4.1
69.07069	15.9
70.13477	1.6
71.04975	6.4
71.58031	2.9
78.18703	1.8
79.05489	15.7
81.07061	54.9
83.04996	10.6
83.08653	2.4
85.06539	7.4
91.05485	49.2
93.07042	20.7
95.04974	7.0
95.08625	9.2
97.06532	3.3
98.21625	1.5
99.04452	2.3
105.07038	42.6
107.08594	37.0
109.06521	6.6
109.10159	76.3
113.06002	6.0
117.07047	4.7
119.08600	5.8
123.11712	11.3
127.07571	5.4
129.05508	3.6
130.59454	1.6
131.08563	3.7
133.10132	100.0
134.10582	2.0
139.03801	2.0
151.11192	62.9
159.11734	2.2
161.09624	3.5
167.07126	2.0
169.12256	10.6
215.12727	5.1
253.14401	7.2
271.06070	4.1
271.13223	6.8
271.15485	57.7
271.19995	2.6
271.24255	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	272.1131
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03949	1.0
55.01878	0.6
55.05511	0.5
56.96569	8.0
57.03436	2.3
59.05003	0.6
61.02930	2.3
65.03948	2.5
65.48738	0.4
67.05512	0.6
68.05011	0.5
68.99788	0.4
69.03430	6.5
69.92412	2.1
70.06586	1.3
71.04996	1.0
72.08157	0.5
73.02927	2.7
74.46659	0.4
80.05023	0.8
81.03416	2.5
84.96043	2.5
85.02906	12.5
86.06045	1.1
86.09737	0.5
87.04478	1.1
91.03945	0.7
92.05007	18.8
93.05802	1.8
94.06567	3.2
96.08137	11.8
97.02896	4.9
98.21077	1.1
98.97585	5.8
99.04440	1.6
101.00856	0.8
102.97108	0.7
103.05407	0.5
109.02882	1.9
110.06044	100.0
110.07101	3.1
110.97565	0.9
112.07571	0.4
115.00712	1.0
116.98626	2.8
119.01891	2.1
120.02039	0.5
124.03956	0.5
124.99145	1.2
126.06629	1.3
127.03912	3.2
128.02350	0.5
128.98631	1.6
131.00140	0.7
131.01917	0.9
132.01990	0.5
134.99669	1.8
137.02966	0.4
137.05971	0.5
140.98582	0.8
143.00162	3.3
143.01868	0.8
145.03465	0.8
145.04977	1.5
146.02361	0.8
146.99631	0.8
147.03195	0.7
149.01208	0.5
152.07063	1.3
153.01833	5.9
154.02139	0.6
156.07678	0.5
157.03413	0.5
158.99620	1.4
160.06406	1.5
161.01233	5.1
161.02916	1.7
161.04665	0.5
162.01723	0.4
162.99095	0.6
170.03473	1.0
170.05235	0.4
170.99614	1.0
172.95251	0.8
173.01283	0.6
173.02888	0.6
177.00742	1.9
177.02286	0.5
178.07472	0.7
179.02339	0.6
182.03363	0.8
186.04465	0.6
186.99219	0.7
189.00766	0.7
190.07434	0.9
191.03899	2.1
193.00270	1.0
195.01736	0.5
200.04427	1.1
201.00693	0.5
203.04016	0.5
205.00241	1.9
212.01070	0.5
219.01802	1.2
223.01288	1.9
226.07329	0.6
231.03442	0.6
237.02882	1.0
248.99310	1.3
254.02309	0.5
254.10374	1.3
263.06018	0.7
267.00226	1.1
267.68826	0.4
272.06546	1.2
272.11282	24.1
272.15576	2.9
280.56256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01873	7.1
55.17625	0.9
61.49756	1.0
65.03944	1.4
69.27056	2.0
69.27455	7.4
73.49258	0.9
79.05500	1.4
79.36208	0.9
81.07042	1.6
89.03923	1.2
91.05489	14.7
95.04960	4.3
98.21162	4.3
105.07055	1.4
107.04972	5.7
109.06445	1.1
111.63152	0.9
115.05448	3.9
118.04155	2.6
119.04959	11.1
121.06510	4.5
123.04447	2.2
124.05225	1.7
125.05943	1.1
125.77806	1.0
128.06250	1.3
129.06963	2.0
133.46150	1.1
134.03674	1.3
135.04448	2.2
137.05986	6.1
139.05484	1.9
140.06277	1.4
141.07001	10.0
143.08485	1.0
147.04446	1.2
147.95160	1.0
149.06001	2.3
150.06757	2.3
151.03920	0.9
152.06227	10.6
153.07013	40.0
154.07829	5.1
155.04926	1.0
155.08560	19.0
157.06483	4.0
165.07016	87.5
166.07590	2.0
166.58226	1.0
167.08484	0.9
168.05742	15.2
169.06534	8.9
169.07860	1.5
170.07289	2.3
171.08058	1.7
179.04903	1.6
179.08586	0.9
181.06502	20.6
182.07245	6.3
183.08066	43.3
185.05981	5.6
187.07581	1.1
193.06371	15.3
193.07967	1.8
194.07231	3.0
195.08055	1.9
196.05209	8.1
197.06033	6.8
197.09546	1.7
198.06799	3.1
199.07596	2.5
200.08289	5.3
207.04393	4.9
209.06001	2.6
210.06775	4.9
211.07559	43.0
212.08307	6.5
213.05585	1.9
213.09013	2.4
215.10667	1.3
221.06010	17.2
225.09088	3.4
227.07062	1.4
228.07831	6.0
229.04993	1.3
239.07089	9.8
241.08641	1.4
242.09291	6.5
242.15501	1.0
243.10069	5.6
253.08534	1.4
256.07263	1.1
257.08173	1.2
270.08789	1.7
271.06232	6.6
271.09656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01854	1.5
55.05509	0.7
57.07070	1.1
61.41880	0.4
67.01866	0.5
67.05464	0.5
68.48191	0.4
68.99793	22.9
69.03425	1.1
71.56635	0.7
77.02537	0.4
79.05478	1.3
81.03425	1.4
81.07039	1.7
85.02882	1.2
86.00430	0.5
91.05470	1.3
93.07058	0.5
95.04929	0.7
95.08599	1.1
97.02898	1.0
99.04472	0.7
103.05442	1.2
105.07037	0.7
107.04918	1.1
109.02894	3.5
109.06505	0.5
110.03172	0.5
111.00835	2.6
111.01468	0.5
115.05454	1.7
117.07009	1.1
119.04945	1.0
119.08635	0.8
127.03941	0.8
128.06223	1.2
129.06975	2.0
131.04942	2.8
131.08545	1.0
137.02303	1.0
137.05911	0.5
139.05428	0.7
141.03429	0.5
141.06995	6.9
145.06519	2.7
147.04395	1.9
147.08052	0.6
149.06053	0.6
151.03972	0.6
152.06142	0.8
153.01817	1.1
153.05704	0.4
153.07005	1.4
155.04926	8.1
155.06111	0.4
157.06505	4.9
159.04413	5.0
159.08005	0.8
160.05107	0.6
161.05937	1.8
163.03972	0.8
165.06995	1.1
168.05666	0.6
169.05171	0.8
169.06496	9.0
173.05980	17.8
175.03880	1.1
175.07501	1.2
177.05478	1.2
181.06465	1.7
183.04431	8.3
185.06039	3.4
187.03825	13.4
187.07516	2.6
189.00005	0.5
189.05579	0.6
197.05989	19.2
197.07893	1.1
198.06743	0.9
200.04686	1.1
201.05479	17.6
202.06194	0.9
203.07056	9.2
206.59923	0.5
207.04492	0.6
211.03882	1.5
211.07652	0.6
215.07028	11.6
225.05467	9.0
227.07085	0.6
229.04977	17.1
242.05887	0.6
243.06526	19.6
253.04921	7.3
253.07304	1.0
271.06015	100.0
271.26343	0.7
272.06360	0.7
293.28757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03933	1.2
55.01877	5.3
56.31560	0.8
61.83076	0.8
65.03945	1.2
67.05514	1.0
68.99770	2.0
70.81416	0.7
70.81788	2.5
71.41109	0.7
81.03394	0.8
81.07044	1.2
85.06540	0.8
89.03920	1.8
89.64232	0.7
91.05484	13.6
95.04943	3.0
97.02872	0.8
98.35817	0.7
100.41870	0.7
105.07050	1.2
107.04962	3.7
115.05432	3.7
117.03388	1.0
118.04132	2.1
119.04940	11.4
121.06498	3.4
122.03642	1.1
123.04391	2.0
128.06206	0.9
129.07011	1.9
133.06453	0.8
134.03656	2.0
135.04402	2.2
137.05969	6.0
140.06142	1.2
141.06989	8.3
145.06448	1.1
147.04417	1.1
147.08051	1.0
149.05960	2.7
150.06804	1.3
152.06224	8.4
153.06998	31.1
154.07771	4.0
155.04930	1.1
155.06093	0.8
155.07478	0.7
155.08551	16.7
157.06549	3.9
165.07004	75.9
166.07570	1.1
167.08635	1.4
168.05707	12.4
169.06500	8.3
170.07240	2.3
171.08012	0.9
172.08810	1.1
173.05966	1.2
178.07794	0.9
179.04826	1.3
179.08641	1.2
181.05003	1.3
181.06494	18.9
182.07266	7.9
183.08060	40.1
184.05283	0.9
185.06010	5.5
187.07635	1.0
193.06335	13.6
193.07961	1.2
194.07259	1.8
195.08134	1.5
196.05190	8.5
197.05992	6.3
198.06773	2.3
199.07544	3.1
200.06772	0.7
200.08307	4.5
201.05486	1.6
207.04507	3.6
209.05930	2.5
210.06781	4.7
211.07547	42.2
212.08308	4.3
213.05438	2.5
213.09167	2.4
214.14977	0.8
215.06992	1.2
221.05957	14.6
225.05466	1.9
225.09146	3.6
226.14453	1.5
227.06927	1.1
228.07773	4.5
229.04907	1.0
239.07024	9.0
240.07831	1.0
242.09395	5.4
243.10207	5.0
253.08559	2.6
270.08585	1.1
271.06293	4.7
271.09644	100.0
272.10367	1.4
277.32339	0.8
279.27698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05494	1.4
55.50143	1.0
56.05031	2.0
56.96554	2.8
57.03429	2.2
59.04997	2.2
60.04516	1.7
61.02924	2.1
62.38390	1.2
67.05489	2.4
68.05016	5.2
69.03432	15.2
71.04996	1.2
71.56393	1.4
73.06541	1.7
79.05485	3.2
81.03398	3.6
82.02920	3.4
84.04497	3.0
85.02899	2.8
85.06532	3.8
86.06065	3.4
87.04471	9.5
91.05473	5.8
95.05001	1.8
95.06041	1.7
97.02883	3.3
98.06042	2.3
98.70535	1.2
98.97576	2.6
100.03951	4.7
102.96901	1.3
103.03996	1.7
103.05472	9.8
104.07111	15.6
105.07039	23.0
105.57623	1.1
106.90149	1.3
107.04951	3.7
108.08070	1.4
109.02865	4.8
116.14026	1.1
117.05743	2.8
117.07018	2.8
118.06545	2.9
119.03397	2.1
119.07307	3.5
120.08112	37.4
122.06046	11.9
125.02370	1.4
127.03905	1.2
129.07022	5.9
130.05006	1.3
130.06538	8.0
131.04912	2.9
132.08099	41.4
134.09648	21.9
136.06175	3.1
143.08539	1.7
144.08147	2.3
146.09669	8.6
153.01836	9.8
154.02066	1.1
161.04344	1.3
162.09125	1.5
166.08571	3.1
170.09645	3.0
178.08621	3.1
188.10669	2.4
195.06660	1.2
206.11771	34.3
217.03499	2.3
224.12822	97.4
252.12337	28.5
270.13351	100.0
270.27991	1.7
271.06021	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.54715	1.2
53.03936	4.8
55.01862	3.8
55.05511	19.6
57.03439	31.9
57.07059	4.4
59.04995	1.6
65.03923	1.7
67.05505	77.5
69.03422	4.5
69.06724	2.4
69.07068	36.5
71.04996	6.1
71.56435	2.0
79.05063	2.4
79.05496	42.6
81.03404	5.7
81.07056	100.0
82.03724	1.7
82.86136	1.5
83.04986	10.4
83.08624	21.5
85.06540	9.2
91.05479	25.5
93.07044	70.8
95.04971	10.8
95.08604	31.7
97.06526	15.2
97.10155	2.2
99.04426	1.6
99.08098	2.0
105.07033	12.8
107.04984	1.3
107.08599	38.6
109.02874	3.1
109.06509	5.6
109.10167	7.0
111.08073	9.4
111.11699	2.3
113.09641	1.4
117.07032	8.3
119.08589	7.6
121.06489	4.0
121.10139	26.0
123.08057	2.2
123.11671	3.8
125.06049	1.5
125.09626	2.3
127.07559	1.9
129.06987	2.4
131.08565	11.9
133.06425	1.2
133.10156	12.5
135.08035	4.6
135.11693	11.9
139.11179	3.5
143.08517	2.1
143.71136	1.4
145.06448	2.0
145.10112	5.3
147.11694	4.1
149.09669	2.4
149.13260	47.4
149.61807	1.2
151.11160	1.8
155.08566	1.6
157.10114	2.8
159.08054	3.4
159.11685	24.4
161.13231	1.7
165.07042	1.9
167.06921	1.4
167.08600	1.4
169.10062	1.5
171.11633	2.6
177.12752	10.2
181.04958	2.2
181.06473	2.8
187.14928	1.4
191.14345	1.4
192.13599	1.4
195.09883	3.7
195.13843	11.2
197.13188	1.7
198.06749	1.3
199.11028	1.3
209.09647	1.5
213.09077	1.6
213.12775	1.2
213.16466	2.0
223.14809	1.3
241.08609	2.6
251.12697	1.9
251.20081	2.5
254.05873	1.6
269.08105	8.5
269.11740	5.3
269.17444	35.5
269.22623	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03946	3.6
55.01869	4.3
55.05511	21.3
56.38797	1.9
57.03441	39.8
57.07064	4.7
67.05506	83.6
68.24380	1.9
69.07068	35.7
69.94253	10.1
71.04988	5.5
73.41346	1.8
77.59597	1.7
78.28801	2.0
79.05492	40.1
81.03424	2.8
81.07057	100.0
83.04998	11.0
83.08609	18.5
85.06548	6.2
91.05474	23.0
93.07049	79.4
95.04963	7.5
95.08610	24.4
97.06539	16.0
97.10148	4.2
98.21089	5.5
99.08094	5.2
105.07046	7.8
107.08598	41.0
109.06533	4.2
109.10149	4.8
111.08099	8.1
117.07029	11.6
119.08582	2.5
121.10161	26.8
123.11727	4.2
125.09627	2.3
131.08586	11.7
131.27548	2.4
133.10135	10.1
135.08069	2.8
135.11725	9.7
139.11195	2.5
144.41318	1.8
149.13266	47.5
159.11711	21.8
177.12703	10.1
195.13828	15.3
227.72691	2.4
269.17450	42.0
269.22269	3.0
292.62454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	5.9
55.01874	3.4
55.03386	1.4
55.05513	23.1
57.03439	35.9
57.07070	4.0
65.03936	3.1
67.05507	78.8
69.07070	36.0
70.87515	2.2
70.87833	2.9
71.05001	5.3
78.46987	1.5
79.05499	48.6
81.03388	2.2
81.07059	100.0
82.02237	1.6
83.04993	9.8
83.08627	13.3
85.06547	6.6
91.05477	23.6
92.35708	1.5
93.07053	69.1
95.04974	4.8
95.08609	24.4
97.06528	11.8
97.10169	1.7
98.21083	3.4
99.08071	3.2
105.07034	8.9
106.60609	1.4
107.08594	36.4
107.09290	2.5
109.06523	5.3
109.10168	3.0
111.04542	1.6
111.08081	9.8
113.09672	2.0
117.07022	10.2
119.08562	2.7
121.10143	29.4
123.11726	3.7
131.08575	10.0
133.10141	10.0
135.11699	13.5
139.11229	1.9
141.54344	1.4
149.13268	52.1
159.11722	22.8
177.12785	8.3
180.59456	1.8
195.13823	12.4
224.34874	1.6
269.17444	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03938	3.4
55.01859	4.3
55.05516	20.2
57.03440	40.2
57.07078	6.2
65.03955	1.8
67.05507	78.7
69.07075	30.5
70.08990	5.1
71.04982	5.6
71.08621	2.4
79.05497	48.8
81.03419	2.2
81.07062	100.0
83.04987	10.7
83.08620	17.2
85.06541	4.3
91.05486	24.0
93.07049	74.2
93.76630	1.3
95.04967	6.2
95.08053	2.4
95.08615	28.6
97.06548	13.8
97.10153	2.6
98.20927	2.8
98.21450	1.3
99.08075	4.0
105.07032	7.7
107.08598	40.5
109.06495	2.4
109.10136	5.1
111.08077	7.1
111.11731	1.7
113.09631	2.4
117.07031	9.1
119.08564	3.8
121.06543	1.4
121.10147	26.4
123.11719	3.1
131.08565	10.8
133.10133	8.9
135.11702	7.2
139.11176	2.6
147.11665	2.5
149.13261	45.7
151.11148	1.5
157.10181	1.4
159.11700	17.9
165.12711	1.5
167.14371	1.7
177.12761	10.3
195.13792	10.9
229.54919	1.4
269.17484	44.2
288.49963	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	3.6
55.01855	3.6
55.05515	21.8
57.03435	46.9
57.07069	5.4
60.97287	1.5
65.03950	2.2
67.05503	81.1
67.92111	1.7
69.06712	2.9
69.07063	33.5
70.19535	1.6
71.04980	6.0
71.57953	2.6
79.05492	51.8
81.03432	3.8
81.07057	100.0
83.04987	12.0
83.08623	21.4
85.06546	8.2
91.05486	26.5
93.07042	73.1
95.04976	8.1
95.08607	28.0
97.06525	16.6
97.10181	1.6
99.08086	5.6
105.07027	9.2
107.08587	37.2
107.09286	2.6
109.06510	4.1
109.10170	5.5
111.08064	9.6
113.09631	1.7
117.07008	9.8
119.08571	3.9
121.10140	25.1
123.11707	3.6
131.08580	12.8
133.10123	8.8
135.08113	2.3
135.11688	12.5
139.11189	3.9
143.08594	1.6
147.11653	2.3
149.13263	58.7
155.08464	1.5
157.10085	1.8
159.11697	21.8
175.07979	1.7
177.12758	10.8
195.13771	14.2
196.95413	1.7
213.14548	1.5
227.50415	1.7
269.11621	2.8
269.17429	44.9
269.22101	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.91425	1.2
52.47226	1.2
53.03935	3.6
55.01859	3.5
55.05513	21.4
57.03440	32.8
57.07055	3.8
65.03939	1.8
67.05508	74.0
69.06716	1.9
69.07069	26.2
71.04987	9.3
71.56440	2.4
79.05495	44.6
81.03420	3.4
81.07059	100.0
83.04981	10.9
83.08620	21.7
85.02871	1.4
85.06559	8.0
91.05487	27.3
93.07050	64.1
95.04997	7.7
95.08059	2.1
95.08614	28.7
97.06536	14.7
97.10172	3.2
99.08070	2.9
101.05994	2.9
105.07044	11.6
107.08602	34.9
109.06509	3.0
109.10168	6.1
111.08076	10.0
115.68805	1.2
117.07033	11.1
119.08550	5.1
121.10146	21.5
123.11712	9.2
130.26680	1.3
131.08566	13.7
133.10143	13.3
135.08005	1.9
135.11702	13.0
139.11119	1.4
143.08578	1.4
145.10155	2.6
149.09563	1.7
149.13263	44.2
151.11140	2.0
152.91513	1.2
157.10126	2.0
159.07944	1.4
159.11700	22.2
161.13121	1.6
167.14233	1.3
168.16721	1.2
169.10141	1.3
170.10925	1.4
171.11713	2.4
177.12738	9.4
185.34949	1.4
195.13818	13.0
199.14801	2.3
269.08014	6.6
269.11130	1.9
269.17438	50.5
269.22449	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03932	2.5
55.01852	3.8
55.05258	1.6
55.05511	19.3
57.03437	33.9
57.07058	3.2
58.21934	1.1
65.03933	2.6
66.43692	1.1
67.05504	73.6
69.06725	1.6
69.07069	27.8
71.01350	1.2
71.04976	5.2
73.02906	1.3
79.05493	46.1
81.03402	3.2
81.07057	100.0
83.04980	9.5
83.08623	18.4
85.06541	6.1
91.04960	2.1
91.05477	25.2
93.07041	63.7
95.04990	9.0
95.08611	27.0
97.06531	18.7
97.10157	1.6
98.20712	2.5
98.21404	4.8
99.04462	1.2
99.08092	2.4
103.03848	1.0
105.04501	1.3
105.07041	10.9
107.08601	33.2
109.06536	3.4
109.10182	5.6
111.08073	10.5
113.09624	1.3
117.07002	10.6
119.08582	4.1
121.09320	1.4
121.10148	21.3
123.11703	2.8
125.09586	1.3
131.08585	12.2
133.10109	11.5
135.08032	1.6
135.11696	12.1
145.10159	1.4
147.11714	2.0
149.13260	48.2
151.11166	1.8
157.10139	1.6
159.11700	21.8
167.14380	1.7
177.12712	11.9
195.13837	14.4
198.81818	1.1
249.85475	1.2
269.08154	2.2
269.17456	45.4
269.22330	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	2.0
55.01857	3.4
55.05261	1.0
55.05511	19.0
57.03438	37.4
57.07054	3.6
65.03927	2.3
67.05505	76.2
69.03416	1.0
69.07069	31.5
70.92086	0.9
70.92419	1.4
71.04994	6.6
71.16238	0.8
73.02914	1.4
79.05494	43.1
81.03398	2.8
81.07058	100.0
83.04985	9.9
83.08624	20.0
85.06540	6.9
91.05486	20.9
93.07045	77.0
95.04976	7.3
95.08604	25.2
97.06525	15.6
97.10151	2.3
98.21159	0.9
99.04471	0.9
99.08095	4.2
99.44341	1.0
105.04507	1.1
105.07029	8.9
107.08595	38.7
109.06500	2.6
109.10151	3.5
111.08084	9.1
113.05980	1.2
113.09658	2.1
117.07021	7.6
119.08555	2.7
121.06501	2.0
121.09311	1.7
121.10141	24.1
121.11015	1.2
123.11712	2.5
125.06078	0.8
125.09654	1.2
127.07559	0.9
131.08580	11.5
133.10129	9.7
135.08095	1.8
135.11690	11.9
139.11200	2.3
147.11678	2.4
149.09656	1.5
149.13263	58.7
150.13625	0.8
151.11195	1.0
159.11691	20.9
167.14377	2.1
177.12753	11.1
195.13818	15.2
213.14796	1.7
269.17468	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.45763	0.2
55.01882	0.4
55.02999	0.2
56.96564	0.2
57.03439	0.3
61.02930	0.2
63.69865	0.2
66.00443	0.2
69.03435	0.3
69.67528	0.9
73.02946	0.2
85.02923	0.5
87.04426	0.2
94.04073	0.2
97.02876	0.2
98.20744	0.3
119.03542	0.9
133.05014	0.2
136.06187	100.0
137.04570	0.3
137.06619	0.4
153.01884	0.2
154.02167	0.2
197.27946	0.1
268.10400	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.52332	1.1
53.03942	3.8
55.01870	3.8
55.05513	21.3
57.03440	37.0
57.07072	5.7
65.03941	2.7
67.05508	81.7
69.07072	32.6
69.22911	1.1
70.88564	2.5
71.01333	1.2
71.05000	8.0
79.05498	44.7
79.05962	2.4
81.03423	3.7
81.07062	100.0
83.04993	11.3
83.08624	18.6
85.06563	5.8
91.05486	25.9
93.07049	71.5
95.04970	6.8
95.08607	29.5
97.02876	1.8
97.06532	17.5
97.10157	3.5
98.21316	1.2
99.04433	1.8
99.08105	3.8
105.07044	12.2
107.08601	40.1
109.06524	3.0
109.10175	6.3
111.08085	9.4
113.06039	1.7
113.09628	1.8
117.07046	8.7
119.08591	5.3
121.06483	1.8
121.10153	28.7
123.08126	1.1
123.11726	3.8
125.02364	1.5
125.09666	1.1
131.08582	10.9
133.10129	10.5
135.08063	2.6
135.11697	13.0
137.40773	1.1
138.94600	1.2
139.11200	2.4
143.08609	1.2
145.10133	1.1
147.11728	2.2
149.09673	1.7
149.13266	54.9
151.11192	1.4
157.10059	2.4
159.08105	1.3
159.11708	20.9
161.13148	1.2
165.07047	1.4
167.14461	1.6
169.10213	1.2
171.11665	1.9
177.12756	12.0
190.73817	1.0
195.13815	13.4
195.15475	1.4
207.33632	1.0
213.16473	2.2
215.18056	1.3
216.51373	1.0
241.08716	2.2
251.20142	1.9
269.08136	3.4
269.11786	3.3
269.17523	43.6
269.22253	5.8
280.04987	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03948	3.9
55.01876	2.1
55.05516	7.8
57.03440	20.1
65.03953	0.9
67.05506	10.7
69.03436	2.0
69.07074	2.6
69.49158	5.5
71.04990	1.2
79.05497	12.6
81.03419	100.0
81.07060	10.8
83.04996	5.1
83.08619	13.7
85.06555	1.2
91.04959	1.3
91.05482	16.0
93.07054	7.2
95.04971	19.6
95.08604	4.6
97.02888	2.9
97.06544	1.2
97.10165	1.2
98.20850	1.3
105.07043	11.9
107.04963	4.5
107.08585	3.3
109.06507	2.6
109.10162	1.7
111.04423	1.2
111.08092	6.1
115.05448	1.2
117.07023	1.5
119.04897	1.0
119.08585	12.9
121.10147	4.1
123.08097	1.9
128.65289	0.9
129.07001	7.5
131.08551	7.1
133.06482	2.6
133.10133	3.1
137.09625	1.4
142.07811	1.8
145.10071	1.3
147.08031	1.9
147.11688	6.4
149.09630	3.3
157.10155	9.3
163.11183	0.9
165.12737	1.2
175.11183	8.6
193.12263	16.5
208.32108	0.9
211.13307	2.8
249.14890	1.2
267.15924	38.5
268.16187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.54989	0.6
53.03942	3.6
53.56935	0.6
55.01871	2.3
55.05513	8.8
57.03439	21.1
57.07068	0.8
65.03943	0.7
67.05505	12.6
69.03423	2.8
69.07072	3.5
70.75301	1.6
71.04988	1.9
79.05493	12.1
81.03419	100.0
81.07060	14.0
83.04977	5.3
83.08624	14.8
85.02900	0.7
85.06548	1.3
91.05480	18.3
93.07040	9.4
95.04359	1.1
95.04971	22.0
95.08607	5.1
97.02892	2.6
97.06521	1.4
97.10172	1.5
98.21114	0.8
105.03358	0.9
105.07031	13.4
107.04941	5.4
107.08602	4.0
107.62260	0.5
109.06518	3.1
109.10162	1.7
111.04441	1.3
111.08094	6.4
115.05429	1.0
117.07023	1.6
119.04962	0.7
119.08582	12.1
121.06508	2.3
121.10146	5.2
123.08054	1.9
123.11679	0.7
125.09621	0.9
129.07011	8.5
131.08569	7.9
133.06494	2.7
133.10133	4.3
135.11691	1.0
137.09599	1.7
142.07796	2.3
145.10132	1.3
147.08057	2.3
147.11693	7.3
149.09644	3.2
157.10121	9.2
157.11298	0.8
165.12770	1.9
169.10077	0.6
175.11211	8.5
193.12248	19.2
197.13260	2.0
205.12213	1.1
211.13188	2.5
211.15002	0.6
231.13739	0.7
237.14688	0.8
249.14803	2.0
249.17151	0.7
267.09924	1.7
267.15906	46.1
267.20898	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.09045	0.5
50.09783	0.5
50.14445	0.5
51.02395	0.6
51.10096	0.5
53.03942	3.4
53.26365	0.5
53.62420	0.5
55.01871	1.9
55.05513	6.8
57.03439	20.6
65.03930	0.6
67.05507	10.7
69.03433	1.8
69.07069	3.1
69.70563	3.0
71.04986	0.9
79.05492	12.5
81.03418	100.0
81.07058	11.9
83.04976	4.5
83.08620	15.9
91.05485	16.2
93.07041	8.0
95.04970	21.7
95.08606	4.6
96.52096	0.6
97.02906	2.2
97.06512	1.6
97.10174	1.5
98.21310	1.6
103.05469	0.5
105.07030	12.4
107.04969	4.1
107.08584	2.9
109.06516	3.2
109.10158	1.9
111.04471	0.9
111.08083	5.9
115.05450	1.4
117.07042	0.9
119.08577	12.1
121.06522	2.1
121.10149	4.6
123.08085	1.5
123.11656	0.9
125.09648	0.8
129.07002	8.6
131.08571	8.8
133.06480	3.1
133.10143	3.4
135.08031	0.7
137.09634	1.0
142.07803	2.4
145.10103	0.9
147.08049	3.3
147.11674	7.2
149.09619	4.6
157.10120	9.7
163.11166	0.9
165.12764	1.5
169.10124	0.6
175.11192	9.1
193.12260	19.9
211.13275	3.0
249.14864	1.6
267.15915	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03948	3.8
54.31356	0.6
55.01880	1.6
55.05511	6.8
57.03440	20.9
59.04994	0.6
65.03943	1.4
65.53968	0.6
67.05507	11.9
69.03432	2.8
69.07072	2.7
71.05006	1.8
76.12822	0.6
79.05492	11.0
81.03419	100.0
81.07055	10.2
83.04975	4.5
83.08622	14.7
85.02908	1.0
88.12543	0.6
91.04929	0.4
91.05483	16.5
93.07047	7.8
95.04969	20.3
95.08623	4.2
97.02892	1.6
97.06533	1.8
97.10165	1.3
98.20844	2.2
98.21518	1.1
105.07037	13.0
107.04954	4.4
107.08595	3.0
109.06509	3.9
109.10172	1.8
111.04463	1.7
111.08080	6.0
115.05479	1.4
117.07041	1.4
119.08592	9.6
121.06510	2.7
121.10181	4.5
123.08083	0.9
129.07001	9.1
131.08585	6.3
131.91344	0.7
133.06554	2.0
133.10117	3.6
137.09595	1.3
142.07832	1.6
145.10168	0.9
147.08086	2.9
147.11691	5.8
149.09639	3.8
157.10136	7.6
159.11792	0.8
165.12794	1.5
175.11195	9.3
193.12245	17.5
205.12291	1.0
211.13301	2.8
223.13307	0.8
226.99504	0.7
249.15022	1.1
267.15918	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48109	0.3
55.05507	0.6
57.03437	0.4
59.04996	1.0
60.72942	0.3
61.02921	0.9
66.46952	0.4
69.03407	0.5
71.04995	3.4
71.57108	0.3
72.08157	0.5
79.05505	0.7
81.03418	0.5
81.07059	3.9
88.86536	0.3
92.88026	0.3
94.04047	0.6
96.29184	0.3
102.42077	0.3
109.02894	1.5
113.09665	0.9
117.03387	0.3
119.03535	1.5
136.06192	100.0
137.04588	1.3
145.02861	0.5
146.03159	0.7
147.04390	0.5
158.28674	0.3
160.07614	0.5
162.07817	0.6
165.05470	0.5
176.81448	0.3
177.05518	0.8
178.05838	1.7
181.51422	0.3
220.09764	0.3
234.13495	1.3
248.15010	1.3
253.67441	0.3
266.16135	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03955	4.7
55.01876	1.7
55.05517	7.3
57.03440	19.7
65.03942	0.8
67.05506	11.9
69.03433	3.2
69.07082	3.0
70.75953	1.0
70.76305	1.2
71.04996	1.9
79.05496	14.4
81.03421	100.0
81.07057	12.9
83.04984	6.1
83.08624	14.9
85.06565	0.8
87.91182	0.6
91.05488	18.3
93.07055	7.7
95.04976	22.7
95.08620	6.1
97.02892	1.8
97.06529	2.0
97.10185	2.3
98.21266	0.8
105.03393	1.3
105.07040	14.4
107.04969	4.6
107.08591	5.0
109.06532	4.0
109.10162	1.9
111.04461	1.7
111.08075	6.1
113.05973	0.5
115.05459	1.5
117.07042	0.9
119.08589	12.8
121.06508	2.0
121.10155	6.2
123.08080	2.2
123.11723	0.7
125.09611	1.0
128.06200	0.8
129.07022	7.5
131.08559	7.7
133.06514	2.8
133.10162	4.1
135.08084	0.7
135.11737	0.8
137.09653	1.7
141.07053	0.6
142.07748	2.4
145.10115	1.4
147.08058	2.9
147.11700	8.2
149.09653	4.6
157.10127	9.1
161.13205	0.7
163.11150	1.5
165.12750	2.1
175.11182	9.7
193.12260	21.4
205.12372	1.2
211.13312	2.5
231.13797	1.1
249.14859	1.7
262.41901	0.7
267.15915	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1387
Annotation	Anisomycin
Peak:m/z	Relative Intensity
55.05516	0.5
57.03421	0.5
61.02929	3.2
67.05514	1.4
69.03431	1.2
69.07080	0.5
70.03811	0.5
70.06593	0.6
74.05635	0.5
79.05495	0.5
81.03429	1.2
91.05490	1.9
93.07056	1.1
98.20705	1.2
98.21383	2.7
105.07051	4.4
107.04997	0.5
107.08583	1.1
109.02886	1.8
109.06506	1.5
115.05491	0.5
119.08604	2.2
121.06565	0.7
122.09737	0.7
127.03938	0.7
131.06146	0.5
131.08578	0.9
133.06499	1.4
133.10132	7.0
135.08072	0.8
135.11676	0.9
136.11215	0.6
137.09615	1.4
140.03392	0.7
143.08594	0.9
145.08879	0.5
148.07532	0.9
149.08397	1.3
150.09175	1.1
150.12773	1.3
153.01799	1.2
156.10818	0.5
160.05177	0.7
160.07579	1.6
160.11136	0.6
161.05994	1.4
161.08383	0.5
161.09619	7.9
162.05428	0.5
162.09175	0.8
163.06294	1.1
163.07549	1.2
163.09920	1.1
163.11192	2.4
164.10725	2.2
173.08296	0.5
176.07074	7.6
176.10707	1.3
177.07863	51.5
178.06029	0.6
178.08646	9.1
178.12265	11.9
188.10704	4.5
189.09129	6.3
190.08577	1.3
190.12265	0.5
191.09418	5.5
202.06129	0.6
204.10245	1.8
205.11021	2.0
206.11772	100.0
207.12129	1.4
218.11775	2.8
229.49727	0.6
248.06671	0.8
248.12854	0.7
266.04816	0.6
266.07553	1.9
266.13867	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	265.1435
Annotation	(-)-Hydroxyperezone
Peak:m/z	Relative Intensity
53.03946	0.4
55.01871	0.7
55.05268	0.3
55.05513	4.2
57.03411	0.4
57.07066	0.7
57.10286	0.3
67.01869	1.9
67.05511	1.5
68.99789	1.6
69.03436	1.3
69.07067	3.2
70.16467	0.6
70.16859	0.6
71.05027	0.3
71.08647	0.3
79.05495	1.0
81.03401	0.3
81.07037	1.9
83.01344	0.4
83.04982	0.6
83.08617	1.2
85.02924	0.3
91.05484	0.4
93.07052	1.8
95.08603	1.8
97.02892	1.0
97.06543	0.6
97.10182	2.0
98.21240	0.6
107.08560	0.4
109.06550	0.3
109.10149	0.4
111.00815	0.8
111.04437	1.1
111.11720	0.4
119.04919	0.3
121.10107	1.5
123.04450	1.2
125.05983	0.4
127.03922	2.3
135.11726	0.5
137.05972	1.0
139.03905	8.3
139.11186	1.2
142.78270	0.3
144.91800	0.3
145.10194	0.4
149.05984	0.5
149.13257	0.3
151.03856	0.3
153.01833	100.0
154.02158	0.7
155.03371	1.4
163.03889	0.9
163.11176	0.3
165.05452	1.7
167.03409	1.1
167.07126	0.5
171.02898	3.2
172.36798	0.3
177.05531	0.8
179.07033	0.4
181.04974	3.6
181.12244	0.4
191.07036	0.7
193.08636	0.9
195.06610	0.5
205.08754	0.4
239.10616	0.3
247.13235	1.7
247.24252	0.5
265.14359	16.6
265.25403	1.1
266.14737	0.4
287.14825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03937	3.6
55.01881	2.5
55.05513	26.0
56.96577	5.5
57.03438	67.6
57.07067	9.3
67.05165	4.8
67.05507	64.6
69.07074	18.2
71.05000	15.0
73.02911	5.0
76.73352	2.5
79.05492	49.7
81.03409	4.0
81.06580	5.1
81.07059	100.0
83.04941	4.5
83.08614	25.4
85.06552	20.5
91.05484	41.7
93.07046	98.6
95.04964	9.1
95.08610	92.1
96.49277	2.5
97.06515	15.1
97.10162	14.8
99.08080	11.4
102.51132	2.6
105.07039	51.2
107.04969	3.4
107.08583	53.7
109.06519	4.9
109.10162	39.9
111.08106	16.1
111.11750	3.2
113.09643	4.5
117.07001	10.7
119.07783	4.1
119.08583	47.9
121.10149	33.6
123.11716	14.0
125.09628	5.2
131.08585	16.5
133.10135	50.6
135.11693	50.0
137.09610	8.1
137.13246	3.1
139.11188	3.1
145.10130	18.9
147.11703	42.0
149.09525	2.9
149.13272	15.3
151.11200	10.6
153.01828	6.2
153.05475	5.8
159.11673	27.7
161.13258	8.1
161.74301	2.9
163.11223	3.4
163.14792	8.0
165.12737	8.0
167.03407	33.3
167.07059	3.2
173.13277	21.7
175.14821	44.8
177.16478	2.9
181.04927	7.4
187.14859	7.1
189.16408	26.4
195.11783	3.5
201.16415	4.8
205.19490	3.4
229.19513	33.1
244.12329	4.9
247.20621	15.3
265.14365	7.8
265.17697	17.3
265.21729	28.1
265.24384	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03941	7.5
55.05510	13.5
59.84305	3.5
65.03942	12.2
67.05502	29.0
69.03439	36.9
69.07072	7.9
70.57848	10.6
71.04993	6.8
79.05511	18.7
81.07046	19.0
83.04985	12.7
91.05485	51.8
93.03409	7.6
93.07050	39.5
95.04973	49.1
95.08608	25.4
97.02859	5.0
97.06535	7.2
98.20992	4.7
99.04448	10.7
105.07029	78.6
105.07676	6.4
107.05009	3.5
107.08578	26.6
109.02879	7.9
109.06528	30.4
109.10159	6.1
111.04462	37.1
111.08076	7.2
111.85577	3.3
113.05994	17.5
115.05510	5.9
116.06223	4.7
117.07037	26.0
119.08588	98.1
121.02860	16.2
121.06524	48.2
121.10152	16.0
123.08071	23.1
125.05974	4.0
128.06229	9.6
129.07033	18.9
130.07800	7.1
131.08583	41.3
133.06482	10.0
133.10118	21.0
135.08055	100.0
137.09602	14.9
139.03920	15.2
139.07573	7.6
141.06989	8.0
142.07784	12.5
143.08569	14.5
144.09334	11.9
145.02869	8.2
145.06509	17.1
145.10139	44.4
146.07277	7.1
147.08064	49.9
147.11674	18.7
149.05991	5.9
149.09651	11.5
151.07524	5.4
153.09155	3.7
154.07814	3.8
155.08560	7.1
156.09354	7.4
157.06473	4.6
157.10075	19.2
158.07285	22.5
158.10922	5.7
159.08058	43.1
159.11696	43.1
160.08745	4.3
161.09621	45.1
161.13277	5.0
165.09128	36.7
168.09332	12.3
169.10107	7.4
171.08034	7.9
171.11736	11.5
172.08809	20.1
173.09598	20.5
173.13269	22.7
175.06046	5.9
175.07556	83.8
175.11169	42.4
177.05478	10.2
181.06593	3.8
183.11723	13.9
186.10461	8.3
187.07634	5.1
187.11197	45.0
189.09111	11.4
189.12781	11.8
193.08621	24.0
193.10120	6.0
196.08867	9.0
199.11188	19.1
201.12764	38.6
203.10687	52.1
205.12201	7.2
211.11191	25.0
217.12207	22.5
219.13873	11.8
221.11913	4.4
228.74165	3.7
229.12181	30.7
235.13339	9.4
247.13266	48.3
265.14270	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.52500	0.5
56.89428	0.6
62.45253	0.6
67.05475	0.9
68.05039	0.7
69.03424	1.4
69.05822	1.0
70.06588	2.7
71.56434	0.5
73.06565	1.0
79.01859	0.6
81.03407	0.8
83.04976	0.6
84.04511	2.4
85.02908	1.1
85.06499	0.5
88.07632	9.6
96.04472	4.1
97.02879	1.9
98.03259	0.7
98.06059	3.7
98.97592	1.1
100.02190	4.9
101.11721	0.6
102.03770	1.7
114.05498	1.7
116.98608	0.5
123.06822	1.2
124.07591	9.8
125.08377	14.1
126.03728	1.9
127.02137	2.2
127.03925	0.6
128.01678	14.0
128.04243	0.6
128.98599	0.7
130.03198	1.8
140.07062	1.4
141.93382	0.6
142.04887	0.7
142.08673	0.9
143.09430	11.7
144.04730	1.1
153.01830	9.5
156.04784	100.0
158.06334	1.8
161.01120	0.8
174.05852	19.3
176.07339	0.9
190.05328	1.8
200.07425	27.1
202.10762	3.2
218.08478	66.2
219.01778	0.7
237.02769	1.0
237.95187	0.6
246.07956	13.6
253.04562	0.7
264.03580	1.1
264.09018	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0706
Annotation	7-Acetoxy-5,6-dimethoxycoumarin
Peak:m/z	Relative Intensity
54.08059	0.3
61.35160	0.3
63.44096	0.4
70.83494	0.8
78.18311	0.4
84.62110	0.3
96.82294	0.3
97.02918	0.4
98.21002	0.6
105.88020	0.3
151.83762	0.4
153.01875	0.6
153.81209	0.3
163.03865	1.5
167.03409	4.5
176.04706	2.0
177.05432	0.8
191.03459	0.7
191.06995	0.5
204.04178	17.0
205.04964	9.4
206.05759	9.3
219.06526	14.7
222.05098	0.7
232.03644	4.9
250.04724	14.9
265.07074	100.0
266.07413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
50.14525	5.1
53.03934	8.6
55.01884	7.5
55.05507	15.1
56.23606	4.7
57.03433	13.0
57.07062	8.7
59.05016	5.0
61.94138	4.9
67.05498	14.0
68.99797	7.5
69.03428	27.3
69.07065	8.9
71.57361	6.9
79.05492	21.4
81.03413	15.9
81.07065	14.9
83.04984	61.5
85.02903	10.5
91.05479	33.7
93.07052	37.4
95.04964	21.8
95.08601	9.3
97.02894	6.2
97.06510	8.7
105.07035	38.3
107.04900	7.3
107.08598	52.8
109.02901	10.6
109.06509	28.2
109.10149	9.9
111.04415	43.8
111.08077	10.2
113.06022	14.8
115.05445	8.3
117.07012	30.9
119.04917	7.3
119.08578	36.9
121.02887	12.7
121.06493	50.7
121.10108	13.8
122.07179	6.2
123.08076	19.7
125.09721	6.2
129.06993	6.9
131.04926	7.6
131.08586	21.3
133.06468	6.1
133.10152	22.5
134.10541	5.6
135.08063	91.3
135.11716	9.1
137.09627	13.6
143.08537	11.5
144.09299	8.3
145.06499	23.9
145.10139	19.9
147.08060	16.2
149.05991	12.4
149.09628	23.6
149.13203	6.2
151.11211	6.4
153.01868	15.3
153.09154	11.3
155.08682	5.6
158.10881	8.3
159.08089	12.4
159.11688	34.6
161.09579	14.5
163.07558	65.8
163.11200	14.7
165.09142	8.4
168.09401	5.9
170.10925	6.7
172.08914	13.5
173.05991	7.4
173.09608	13.0
173.13263	34.2
181.08643	6.7
183.11710	12.0
185.13200	5.5
186.10426	13.6
187.11185	65.8
191.07063	24.7
201.12764	44.2
205.12335	16.5
209.08165	8.4
211.11185	14.8
219.13846	22.2
229.12253	63.5
247.13307	100.0
247.17046	5.8
265.06747	11.7
265.10818	10.0
265.14551	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.9
54.61828	3.5
55.01868	12.1
57.03445	32.9
57.08812	3.6
61.02924	29.1
68.05064	4.2
69.03433	55.6
70.06586	3.9
71.04980	6.7
71.15907	8.7
73.02549	5.3
73.02925	52.8
81.03419	18.3
84.04488	12.5
85.02413	7.9
85.02909	100.0
86.06091	4.0
87.04466	7.1
88.07630	6.1
91.03958	5.2
93.01874	4.2
96.04510	5.0
97.02906	68.7
98.06061	9.5
98.97610	6.7
99.04449	9.8
100.21786	4.0
101.00901	19.5
102.00986	5.2
102.02418	9.7
102.05547	5.4
102.24895	4.0
109.02891	12.1
111.02931	6.5
113.00866	5.2
114.05549	5.8
115.02400	5.3
119.01934	50.5
120.02034	14.7
123.02873	4.7
125.08414	6.3
126.03702	5.8
127.02396	4.6
127.03918	34.4
128.01671	9.7
129.02914	6.4
129.73991	4.1
131.01936	23.8
132.02034	10.9
132.03415	13.1
134.08229	4.3
135.02942	4.4
137.02798	4.6
138.03404	16.8
143.01912	36.7
144.02055	15.5
144.03409	11.0
145.03427	21.1
145.04990	14.6
147.03954	7.8
147.05017	5.0
153.03954	11.8
155.01900	40.8
156.02115	7.3
156.04770	62.7
157.03485	11.9
159.03908	4.8
159.05121	7.9
161.02942	41.5
161.05580	8.1
162.03087	37.3
165.03951	11.0
167.01900	15.3
168.04498	4.7
169.03510	4.3
171.05014	7.5
173.02972	43.2
174.03137	15.1
174.04514	33.4
174.05881	11.5
174.54599	5.9
175.02898	4.6
175.04512	7.1
177.04974	6.4
181.11571	4.4
183.05072	29.3
185.02982	56.4
186.03139	8.8
187.04572	15.9
191.03897	6.6
192.04065	5.2
192.05588	17.5
193.03557	4.7
197.02968	11.7
199.04486	5.7
200.07471	17.1
200.11440	5.4
202.10793	11.7
203.03983	29.4
204.04161	13.6
215.04004	9.8
218.08466	48.5
221.05083	15.4
223.18736	4.9
227.04062	9.8
233.05028	5.0
237.27707	3.9
245.05087	89.8
246.05302	8.1
246.07808	9.3
257.05139	7.5
263.06155	8.5
264.01926	20.0
264.06110	10.8
264.09036	18.1
264.11145	9.1
264.14368	10.3
275.06241	8.9
289.28009	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.97303	0.7
53.03935	2.3
55.01867	1.5
55.05256	1.3
55.05508	14.3
57.03432	1.6
57.07077	10.3
65.03935	2.0
67.05505	85.5
68.05811	1.1
69.03397	0.8
69.06725	1.0
69.07071	14.8
69.98406	0.7
71.04971	1.7
71.08626	6.4
79.05493	23.1
81.03432	0.8
81.07057	100.0
83.04967	2.0
83.08625	13.0
85.06538	5.7
85.10168	2.8
91.05480	19.7
93.07046	25.6
95.04960	3.5
95.08608	84.4
97.02893	1.3
97.06515	6.1
97.10182	7.3
98.21111	5.1
99.07526	0.8
99.08084	4.9
105.07028	13.8
107.04963	0.8
107.08599	16.8
109.06510	2.3
109.10155	43.2
111.08086	4.8
111.11683	1.0
112.27802	0.9
113.09637	3.0
119.08591	15.9
121.10140	18.2
123.08105	3.8
123.11715	18.6
125.09591	1.0
127.11188	1.4
133.09218	1.5
133.10138	16.8
135.08017	0.9
135.11693	10.0
137.09695	3.9
137.13255	6.4
139.11151	1.1
141.12708	2.0
143.08521	1.1
145.10114	1.9
147.08023	1.4
147.11664	10.8
149.13261	9.4
151.11198	1.0
151.14821	8.4
155.14259	1.0
156.09262	0.9
157.10109	1.6
159.11638	0.9
161.13281	11.3
163.14806	8.0
165.09105	0.8
165.12704	1.0
165.16403	8.1
171.11703	1.2
175.14789	8.1
177.16396	1.6
179.17949	2.8
181.04990	1.2
189.16385	3.6
199.11066	1.2
203.17941	3.5
207.17462	1.0
217.12248	1.9
217.19456	1.9
227.17754	1.2
245.11646	2.5
245.22655	30.6
263.05475	0.9
263.12823	4.6
263.20279	3.5
263.23694	71.3
264.23611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03948	4.1
54.99833	1.6
55.05518	16.6
57.03418	2.0
57.07082	9.9
58.71029	1.7
59.20351	2.0
65.03904	2.5
67.05507	32.1
69.03419	4.4
69.07069	16.2
70.28462	1.7
71.05002	2.2
71.08631	2.6
71.56996	2.3
72.27771	1.8
73.06548	1.8
77.03893	1.6
79.05494	35.3
81.03399	2.9
81.07059	100.0
81.39510	1.9
83.04977	8.0
83.08617	7.9
85.06532	4.4
91.05477	25.3
93.07045	57.4
95.04990	8.4
95.08607	54.4
97.02916	2.5
97.06543	27.5
97.10160	3.4
99.08099	2.3
105.07029	24.2
107.04934	2.2
107.08600	65.9
109.06517	36.8
109.10152	27.2
111.08087	10.9
117.07027	2.8
119.08569	22.5
121.06478	2.9
121.10143	31.1
123.04457	4.1
123.08070	53.3
123.11684	10.0
125.09636	2.7
127.07558	17.5
129.07027	2.7
131.08545	4.6
133.10132	28.1
135.08022	4.9
135.11711	23.1
137.08635	2.8
137.09624	28.6
139.03928	2.3
139.07539	2.9
143.08614	4.9
145.10120	8.2
147.08072	2.7
147.11699	32.0
149.09598	7.8
149.13275	20.0
151.07549	3.0
151.11179	40.7
153.01787	2.4
153.05478	2.9
153.09166	2.0
153.12674	2.7
155.08434	1.9
156.09358	2.0
157.10149	3.7
159.11682	5.0
161.09665	2.1
161.13255	9.8
163.11235	3.0
163.14841	3.0
165.12737	21.3
167.06995	1.8
171.11720	8.8
175.14749	4.6
177.16414	3.4
179.14333	6.8
181.04933	6.9
181.12253	2.6
184.56483	1.9
185.13301	4.3
189.12738	4.6
189.16368	2.4
199.14844	4.4
203.17961	13.3
207.13814	1.9
217.12280	2.1
217.19534	22.4
227.17931	19.9
235.20566	39.2
235.22768	3.3
245.11748	3.8
245.19064	17.3
263.05524	1.9
263.12778	14.1
263.16913	3.7
263.20071	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	4.2
55.05514	15.6
57.07074	15.9
65.03912	2.0
67.05504	78.1
68.99773	2.3
69.03424	2.9
69.07064	19.6
71.04982	3.6
71.08615	6.3
71.56973	1.9
73.90800	1.7
79.05490	24.7
81.03433	2.0
81.07057	100.0
82.53593	1.8
83.04986	5.9
83.08613	14.7
85.06538	5.5
85.10167	2.3
91.05475	20.7
93.07044	27.8
95.04966	7.9
95.08607	81.0
97.02871	3.3
97.06528	12.5
97.10166	7.1
99.08083	6.1
105.07053	15.4
107.04979	2.0
107.08595	22.7
109.06508	2.6
109.10164	45.7
111.08081	2.5
111.11720	2.5
113.09635	3.1
119.08571	18.6
121.06470	2.2
121.10137	21.3
123.04469	2.9
123.08068	3.9
123.11697	19.0
125.09637	2.7
127.03923	6.6
127.11240	2.0
129.07028	2.3
131.08548	3.4
133.10129	20.5
135.11713	13.8
137.06042	1.9
137.09599	3.9
137.13251	5.6
137.58191	1.9
139.03920	4.0
143.08525	3.2
144.33192	1.9
145.10097	2.3
147.08037	2.7
147.11687	14.7
149.13248	8.6
151.07588	2.1
151.11223	3.3
151.14854	5.7
153.01779	3.0
153.05435	3.1
161.13271	14.0
163.14830	12.4
165.12686	2.3
165.16396	8.0
171.11626	2.3
175.11116	2.3
175.14891	8.7
177.16399	2.3
179.17941	2.3
179.30391	1.7
181.04860	3.2
181.15912	2.0
186.38495	1.8
189.16397	5.4
199.11154	3.3
203.10483	1.8
203.17995	4.8
204.13451	2.0
217.12166	3.5
219.21045	2.9
223.74788	1.7
227.10582	2.3
233.10043	2.8
235.20302	1.9
245.11807	6.9
245.18909	2.8
245.22638	38.3
247.11592	8.5
248.12387	5.6
249.70551	1.9
263.14774	52.1
263.20273	5.8
263.23734	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03941	2.5
55.01868	5.2
55.05262	1.3
55.05515	26.1
59.88242	1.0
60.96914	1.2
65.03925	3.0
66.89040	1.0
67.01860	1.6
67.05173	2.0
67.05507	29.7
68.99765	2.7
69.03430	8.9
69.07051	3.5
69.48067	5.0
69.48473	2.4
71.04980	2.7
79.05131	1.2
79.05498	14.5
81.07064	28.5
83.01316	2.9
83.04976	2.6
83.08141	2.4
83.08623	40.1
83.53928	1.1
85.06519	1.7
87.04464	1.5
91.05482	13.2
93.07054	18.6
94.04175	3.3
95.04988	8.8
95.08608	46.1
97.02910	2.2
97.06542	6.9
98.20864	2.7
98.21465	2.3
98.97568	2.9
99.03700	0.8
105.07030	6.8
107.04947	4.6
107.08601	17.3
109.06523	42.7
109.10149	4.4
111.04422	2.1
111.08071	11.5
111.23340	1.0
113.09667	2.5
116.98611	3.3
117.07002	2.9
119.04933	4.5
119.06039	1.0
119.08598	8.4
121.06494	3.6
121.10125	4.0
123.04433	7.9
123.08084	6.7
123.64323	1.1
125.02370	1.1
125.05926	2.5
125.09659	5.3
127.03900	4.2
127.07558	2.0
129.07024	2.0
131.08546	3.2
133.10112	4.4
134.99631	2.9
135.04369	2.0
135.08069	1.9
135.11714	1.8
137.05966	17.7
137.09615	10.9
139.03909	41.7
139.07527	3.0
139.11205	7.4
143.08597	2.3
145.10141	2.6
147.08005	2.7
149.02361	1.2
149.05972	2.0
149.09607	2.3
151.03902	3.4
151.07555	9.3
151.11142	1.3
153.01836	100.0
153.05405	6.8
153.09090	3.9
155.07063	6.1
156.09373	2.1
157.10138	2.1
159.08060	2.1
159.11691	4.0
161.05974	1.9
161.09570	3.0
161.13280	1.1
163.03893	7.4
163.07503	2.3
165.05489	13.9
167.03346	1.2
167.07047	22.0
171.02834	1.8
175.07440	1.5
175.11209	1.1
177.05516	6.9
177.09120	2.7
177.12762	1.9
179.03470	2.0
179.07034	19.2
179.10631	1.8
181.04967	72.3
181.12212	7.5
185.13249	2.4
187.11154	2.9
189.09103	1.7
191.07056	6.5
193.08621	9.8
195.06427	1.2
199.11220	2.6
203.06969	2.0
203.10585	1.9
203.14317	5.8
204.07835	1.3
205.08624	5.9
205.12163	6.8
207.06520	1.8
207.32246	1.1
217.12186	3.6
219.10161	1.6
221.08287	1.1
221.11694	2.6
221.15318	7.0
227.10600	1.3
240.02226	1.2
245.11731	20.3
245.15399	2.8
263.12775	50.5
263.16318	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	263.1279
Annotation	Phomoeuphorbin B
Peak:m/z	Relative Intensity
53.03949	1.1
53.18925	0.5
55.01876	1.9
55.05512	1.6
65.03948	1.4
67.05167	0.8
67.05507	10.7
68.37717	0.5
69.03427	5.9
69.07075	0.9
69.46113	2.7
69.46525	1.1
71.04987	1.4
72.99928	0.6
79.05495	8.6
81.07067	18.0
83.01353	4.6
83.04971	1.4
85.06517	0.8
89.40383	0.5
91.05489	5.3
93.07066	3.2
94.04195	0.6
94.06554	0.7
94.27353	0.6
95.04977	2.4
95.08620	1.5
97.06524	1.9
98.21200	2.2
105.07052	2.7
107.04956	1.2
107.08594	1.4
109.06525	14.5
109.10176	0.6
111.04482	1.0
111.08109	0.7
117.07040	1.7
119.08585	2.0
121.06514	3.8
121.10156	0.9
123.04420	1.3
123.08018	0.7
124.05241	0.7
125.06001	1.4
133.06516	1.0
133.10155	0.9
135.04399	0.6
135.08046	1.3
137.05974	5.4
138.03087	3.6
138.06789	0.9
139.07516	1.2
143.08649	0.6
145.06511	1.1
145.33778	0.6
147.04375	0.8
147.08052	1.3
147.11751	0.6
149.09608	0.7
151.03929	0.6
151.07524	5.3
153.05498	2.4
154.06262	1.7
155.07048	12.6
157.10101	1.1
159.08093	0.8
161.06001	1.6
162.06850	0.8
163.07593	1.0
165.09111	1.1
166.02632	4.6
166.70900	0.6
167.07051	46.6
175.07579	1.7
177.05507	0.7
177.09152	3.4
178.26332	0.5
179.07042	11.3
181.04970	100.0
184.03703	5.7
185.09689	1.1
191.07065	5.2
193.08626	4.9
195.06442	0.6
198.06760	0.6
199.11215	0.9
202.09889	0.9
203.10667	1.5
203.18031	0.8
204.07866	0.7
205.08611	9.2
209.08148	0.8
212.08340	0.9
213.09167	1.1
215.07019	0.9
217.12233	3.4
219.10175	2.2
221.11717	2.1
227.10631	0.8
230.09401	1.6
231.10132	0.8
235.13339	0.7
245.11763	14.2
263.12793	31.6
263.20074	1.9
263.25891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Harziphilone
Peak:m/z	Relative Intensity
55.01866	3.2
55.05510	5.7
58.37658	0.9
65.03951	1.2
67.01876	1.8
67.05507	23.8
68.98671	0.9
68.99793	2.5
69.03422	3.9
69.07066	3.2
69.62781	4.3
71.04995	1.3
77.98565	0.9
79.05478	3.4
81.03394	1.3
81.07066	4.3
83.04961	2.1
83.08615	1.3
83.94601	0.9
91.05469	5.8
93.07054	8.1
95.04969	3.3
95.08617	40.6
95.09236	2.0
95.62086	0.9
97.06532	3.4
98.21088	3.4
105.07024	2.2
107.08603	1.7
108.27962	0.9
109.06542	1.5
109.10170	3.9
111.00812	2.9
111.04480	1.2
111.08092	6.2
119.04945	0.9
119.08588	3.5
121.06522	1.2
123.04456	5.1
123.08091	1.0
127.03925	4.5
131.08525	0.9
133.10136	1.7
137.05981	4.9
137.09634	12.3
139.03908	39.1
149.05914	1.7
151.03886	3.7
151.07509	1.9
153.01839	100.0
153.05386	5.0
154.02158	1.0
155.03416	1.9
157.95479	0.9
161.09601	0.9
163.03940	8.1
165.05516	13.2
167.07076	1.9
172.67905	0.9
177.05537	4.6
179.07056	8.0
181.04973	3.8
191.07039	1.1
193.08636	5.7
203.07057	2.4
205.08629	1.2
217.08621	1.0
217.18924	1.1
242.78098	1.0
245.11732	13.3
246.11444	0.9
263.12778	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	263.1279
Annotation	Cyclogregatin
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	1.1
55.05498	0.7
57.61079	0.4
65.03925	1.3
67.05177	0.4
67.05508	6.8
69.03423	4.0
69.07063	0.9
71.04980	1.6
79.05491	5.7
79.23335	0.4
81.03411	0.5
81.07058	9.9
81.26678	0.4
83.01343	3.2
83.04990	0.9
85.02837	0.5
85.06545	1.0
91.05486	2.2
93.07037	1.8
95.04953	1.3
95.08595	1.5
97.02886	1.6
97.06548	2.0
98.20872	2.0
98.21568	1.1
98.99688	0.4
103.08565	0.4
105.07007	1.5
107.04954	1.7
107.08597	0.5
109.06517	7.4
109.10175	0.6
111.04404	0.6
117.07041	0.4
119.08553	0.8
121.06487	1.5
123.08056	2.2
124.05169	0.8
125.05962	1.2
131.08546	1.0
133.06393	0.8
133.10075	0.5
135.04428	0.4
135.08011	0.8
137.06012	1.3
139.03880	0.5
139.07552	2.2
145.10104	0.5
146.07251	0.5
147.08063	0.7
149.05972	0.8
149.09602	1.1
151.07552	7.4
153.05453	1.9
154.06252	1.7
155.07045	6.9
156.09338	0.5
157.10092	0.6
159.08080	1.6
161.05984	1.4
161.09639	0.6
163.07550	0.8
165.05453	0.9
165.09116	1.4
167.07047	31.0
167.22589	0.4
175.07567	2.2
177.05489	1.7
177.09119	3.5
179.03464	0.7
179.07043	13.5
181.04964	100.0
182.05225	0.5
183.06412	0.5
187.07594	0.8
189.07529	0.4
189.09103	0.7
189.12708	0.9
191.07022	9.0
193.08586	3.5
193.42934	0.4
195.06393	1.1
197.07976	0.4
199.11104	0.6
202.09894	0.5
203.10666	1.0
203.12514	0.8
204.13489	0.8
205.08620	7.4
207.06482	0.5
207.10133	1.0
212.08255	0.8
217.12251	3.5
219.10193	1.9
221.11708	1.2
229.13852	0.6
245.11723	8.8
247.11493	2.1
248.12463	1.2
263.12787	25.7
263.14862	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	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
50.12341	0.7
53.03942	2.4
55.01866	3.5
55.05500	2.1
57.03435	1.0
59.21193	0.8
62.32034	0.7
65.03947	1.5
67.05514	3.8
68.99782	1.8
69.03430	9.7
70.83163	1.9
73.06554	1.4
76.14200	0.8
79.05506	6.7
81.03423	0.9
81.07057	7.4
83.04965	2.0
85.02896	3.9
87.04471	2.0
91.05486	10.2
93.07053	8.2
95.04967	3.6
95.08605	2.2
97.02906	5.0
97.06536	13.4
98.20977	1.1
99.04471	1.1
105.04506	1.0
105.07034	10.7
107.04979	2.0
107.08598	12.4
109.02898	5.1
109.06516	5.3
109.10136	1.8
109.15732	0.9
111.00793	2.1
111.04456	6.8
111.08104	1.0
112.28773	0.8
113.02374	4.1
115.05468	3.2
117.07037	6.3
119.04904	1.5
119.08588	10.5
121.06502	5.1
121.10119	1.4
123.04435	7.7
123.08068	3.8
128.06233	4.4
129.06998	4.6
131.04868	1.0
131.08588	6.3
133.06474	3.5
133.10123	2.8
135.08061	100.0
137.02269	1.0
137.05974	4.1
139.03894	1.8
141.06984	3.8
142.07796	6.2
143.08572	7.8
144.09331	3.7
145.06493	4.4
145.07497	0.9
145.10161	3.7
146.07222	0.9
147.08083	7.6
147.11731	2.1
147.62041	0.9
149.05963	2.8
149.09605	3.2
151.07559	1.4
152.37660	0.9
153.01904	0.9
155.06056	1.0
156.09361	9.8
157.06511	1.6
157.10129	7.0
158.07318	3.1
159.08051	9.9
159.11699	8.1
160.08823	3.6
161.05998	3.1
161.09631	5.0
163.07590	4.0
165.07011	2.2
165.09145	1.8
166.07761	3.5
168.09424	0.8
169.06465	2.1
169.10153	1.7
170.07269	0.8
171.08026	2.9
171.11700	8.6
172.08878	6.0
173.09615	10.8
174.06813	1.3
174.11615	0.9
175.07559	5.1
175.11125	4.8
179.03418	1.0
181.10158	4.2
183.08052	1.0
184.08900	5.9
185.09596	4.7
187.07559	2.2
187.11198	28.4
188.08344	3.4
189.05472	1.8
189.09085	2.6
189.12747	2.8
191.07001	1.4
197.09616	1.4
199.07501	2.4
199.11200	21.1
201.12769	1.2
202.09880	1.0
203.10675	33.8
203.15421	1.4
205.08548	1.1
209.09673	2.0
212.08276	4.2
215.10686	20.6
217.08763	1.8
217.12248	19.3
227.10703	14.7
231.14891	3.7
233.08052	1.1
233.11752	14.2
245.11752	47.4
263.05460	2.7
263.08337	0.9
263.12793	16.9
263.17490	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Cyclogregatin
Peak:m/z	Relative Intensity
53.03935	4.3
55.01866	3.1
55.05502	4.9
57.03419	1.0
57.07076	1.5
65.03954	1.2
67.01852	1.5
67.05507	11.4
68.99796	3.4
69.03428	3.7
69.07069	3.0
71.04980	1.5
71.57806	1.0
71.58232	1.0
72.48445	1.0
79.05053	1.6
79.05498	23.6
81.03421	3.3
81.07058	60.8
83.04980	4.1
91.05494	6.7
93.07038	10.8
95.04967	6.9
95.08611	20.0
96.38798	0.9
97.02870	2.1
97.06536	3.9
97.38623	0.9
103.05486	1.8
105.07037	9.1
107.04958	3.5
107.08611	6.4
109.00350	0.9
109.06514	2.1
109.10156	2.6
110.06996	0.8
111.08073	1.0
117.06986	1.3
119.08578	4.0
121.06535	3.4
121.10136	4.7
123.04444	6.5
123.08070	20.7
124.01640	1.7
125.06041	2.0
128.06181	0.8
129.06979	2.0
131.08603	1.9
133.06502	2.2
133.10118	2.3
135.08055	2.5
135.10022	1.1
135.11684	2.1
137.05991	11.4
137.09647	0.9
139.03880	3.0
141.05472	13.4
143.08595	1.3
145.10172	1.8
147.04396	1.5
147.08063	2.0
147.11650	1.8
149.09662	1.1
151.03885	1.0
151.07573	9.0
152.01057	1.9
153.01932	1.1
153.05469	47.1
157.10156	1.4
161.05948	1.2
161.09663	1.1
161.13313	1.0
163.03841	0.9
163.07553	1.8
165.05492	13.8
167.03407	100.0
167.07109	5.5
170.02090	2.8
175.07532	2.0
175.11333	1.1
175.14876	1.3
177.05446	6.3
179.07045	28.7
181.04996	2.1
181.08594	1.2
189.05510	1.0
189.09084	1.3
190.06313	1.1
191.07088	2.8
195.06587	2.1
199.11201	1.5
203.07024	1.3
203.10756	0.9
203.18114	1.3
205.08618	2.0
217.08696	3.8
217.12106	4.6
219.10210	1.2
221.11774	1.1
245.11729	28.0
263.12775	26.8
263.16415	3.5
263.20135	7.9
263.23761	1.2
278.98416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	8-Hydroxy-6-methoxy-3-pentylisocoumarin
Peak:m/z	Relative Intensity
52.39376	0.8
52.58248	0.8
53.03930	1.5
55.01867	5.4
55.05505	1.4
57.03424	1.1
58.02965	1.1
60.04505	1.0
67.01846	2.5
67.05521	5.3
69.03407	2.7
69.06726	1.1
69.07069	14.8
70.96767	1.0
70.97100	1.5
73.84874	0.9
74.97054	1.1
79.05499	15.7
81.07047	2.9
83.04952	0.8
85.21934	0.9
91.05484	2.4
93.07052	9.8
95.04976	2.5
95.08597	2.4
97.02851	1.1
97.06535	60.7
105.07027	2.1
106.07350	0.9
107.08548	1.1
109.10165	2.0
111.81786	0.9
119.08585	2.4
121.06486	3.1
121.10133	1.0
123.07956	0.9
133.10188	1.0
139.07513	4.0
147.11703	1.1
149.05971	5.3
150.56390	0.9
151.07532	1.1
161.13231	1.1
166.06239	1.6
167.07051	37.6
189.16327	1.0
193.74908	0.9
197.51608	0.8
233.66879	0.8
257.69009	1.0
263.12790	100.0
263.21881	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	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03937	2.5
55.01872	3.8
55.05509	2.9
67.05495	4.6
69.03435	9.6
69.07076	1.5
69.53603	6.7
79.05504	7.7
81.03418	1.7
81.07076	6.2
83.04999	2.7
85.02909	2.8
87.04478	2.1
91.05489	10.5
91.76372	0.9
93.07053	6.3
95.04959	4.2
95.08624	2.7
97.02895	4.2
97.06525	13.2
98.21284	3.0
99.04519	1.1
105.07024	11.6
107.04939	1.9
107.08611	12.6
109.02882	4.2
109.06523	5.7
109.10153	1.3
111.00815	1.3
111.04440	9.3
111.08066	1.4
113.02364	6.0
115.05458	3.4
117.07029	6.6
119.04949	1.6
119.08575	10.7
121.06503	4.5
121.10129	1.5
123.04443	9.2
123.08095	3.3
125.45541	0.9
127.03943	1.2
128.06187	4.3
129.07011	5.9
131.04977	0.8
131.08565	5.8
133.06488	4.1
133.10153	3.7
135.08058	100.0
137.02383	1.0
137.06003	5.6
139.03877	1.7
139.07532	1.1
141.07018	3.5
142.07782	6.0
143.08536	9.3
144.09331	3.8
145.06505	5.6
145.10143	3.7
146.07193	1.5
147.08067	8.5
147.11650	1.4
149.05986	3.0
149.09619	1.8
151.07518	2.4
155.08546	1.6
156.09348	10.4
157.06503	1.5
157.10127	7.6
158.07271	2.0
159.08034	7.5
159.11690	10.0
160.08862	2.2
161.05969	4.3
161.09592	5.8
163.07556	3.8
165.07085	2.1
165.09091	1.0
166.07800	3.2
168.09352	1.2
169.06525	3.0
169.10095	2.5
171.08127	2.4
171.11726	8.2
172.08792	5.6
173.09616	9.5
173.13176	1.2
174.06799	1.5
175.07594	3.9
175.11157	5.0
177.09125	1.1
181.10170	3.1
183.08047	1.2
184.08810	5.0
185.09581	5.4
187.07581	2.8
187.11177	28.3
187.12778	1.8
188.08322	3.6
189.05443	1.6
189.09126	3.4
189.12805	3.1
197.09587	2.5
199.07524	3.1
199.09334	0.8
199.11172	21.2
202.09911	1.9
203.10661	37.2
205.12207	1.1
209.09595	1.4
212.08403	4.6
215.10698	19.3
217.08749	1.1
217.12274	21.6
219.13795	1.3
227.10651	14.2
231.15001	2.4
233.11703	16.1
233.58470	0.9
245.04462	1.4
245.11740	51.8
263.05487	1.4
263.12778	16.5
263.17444	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	263.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01866	2.2
55.05257	1.0
55.05511	12.8
56.96571	0.7
57.03442	4.0
61.02915	2.4
68.99797	0.7
69.03074	1.1
69.03433	21.3
70.12946	2.2
71.01347	1.8
71.04984	2.2
73.02917	1.5
73.06557	58.2
81.03423	9.5
81.07030	0.8
83.04988	8.7
85.02908	28.3
91.03942	0.8
95.04960	0.7
97.02896	100.0
98.20953	1.3
98.21507	0.6
98.97614	1.0
99.04443	5.4
101.02357	1.6
101.06034	2.8
109.02879	9.0
119.01923	0.7
127.03924	23.3
130.05090	0.6
130.06520	1.4
132.04475	0.7
142.05069	0.7
142.07869	0.7
143.01935	0.6
145.04979	10.1
146.99658	0.8
147.04391	0.6
147.08043	0.8
153.01820	3.9
157.06505	0.8
157.07654	2.6
158.06015	1.5
161.02927	1.9
163.06012	0.9
169.06416	0.9
169.08649	1.6
184.09750	0.7
189.05458	0.8
189.12788	1.5
199.11221	1.4
201.12444	1.3
203.08199	2.7
217.12277	2.0
245.04471	0.9
245.09621	0.9
245.11946	1.5
263.05664	3.0
263.08865	1.0
263.13370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09308	0.7
55.01855	1.1
55.05510	1.3
55.67989	0.6
55.86434	0.6
56.96566	6.4
57.03411	2.3
61.02909	0.9
69.03439	3.9
69.07047	0.9
69.95031	2.8
70.06576	2.0
70.98098	0.8
72.08155	6.8
73.02899	2.1
73.06543	0.8
77.00878	0.8
79.01839	1.5
79.05477	0.9
81.03410	1.9
82.99850	2.0
83.05005	0.9
84.08057	0.7
85.02904	5.0
86.99324	1.4
88.02640	0.7
88.07626	1.4
91.05462	1.2
93.75523	0.7
96.22375	0.6
97.02908	6.2
98.20882	1.6
98.21471	1.4
98.97594	6.7
101.00883	25.2
102.09184	0.7
105.06982	0.8
107.01965	0.7
109.02902	1.5
110.01286	0.8
110.97579	0.8
111.00784	1.1
112.99124	0.8
113.00875	6.1
115.02441	1.6
116.98610	3.9
119.01925	43.1
120.01998	1.1
127.03932	1.8
128.98665	0.8
131.01913	25.1
133.03532	1.7
137.02969	4.8
137.15642	0.7
143.01903	43.5
145.03481	4.5
146.99677	0.9
147.04987	0.7
149.02965	2.9
153.01820	7.6
155.01901	11.7
157.01677	1.2
157.03510	5.4
158.99611	1.5
159.01363	1.1
160.04646	1.1
160.06573	6.0
161.02960	100.0
167.01921	1.9
170.05238	1.6
170.99695	0.9
171.11726	0.9
173.02968	31.0
174.03046	0.9
174.05518	1.1
174.98973	1.0
175.02869	1.5
175.04523	4.7
179.03954	2.8
182.03371	1.2
184.04565	2.6
185.02959	9.5
191.04013	23.1
197.02937	2.4
199.04364	0.7
199.11290	0.8
203.02406	0.8
203.04016	18.7
214.05807	0.8
215.03923	2.2
217.09813	1.6
217.12294	1.6
219.01616	1.0
221.05135	4.4
227.13879	0.9
233.05074	2.2
237.02829	1.6
239.06169	1.8
245.05110	2.4
245.09283	0.8
245.11716	2.1
249.08698	0.8
263.06149	39.3
263.10406	1.6
263.12827	1.1
279.63641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33427	3.3
70.18805	11.5
91.06409	3.3
94.52531	3.3
98.20913	4.8
98.21484	3.7
101.00870	21.7
113.00874	9.4
119.01899	31.9
131.01888	21.5
143.01900	50.5
153.45459	3.7
155.01869	16.2
157.03442	8.9
161.02969	100.0
173.02980	36.1
185.02927	8.1
189.72853	3.0
191.03976	20.6
203.03946	18.7
263.01587	11.4
263.06094	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96316	79.3
81.78464	14.9
86.76750	17.5
95.13829	13.4
96.21762	16.3
98.20885	35.4
98.21475	18.9
101.00896	26.7
119.01898	32.0
131.01917	24.1
135.12753	15.9
143.01862	72.9
155.01900	32.2
161.02983	100.0
173.02962	43.0
176.51643	16.6
191.04118	17.8
203.04066	17.9
263.01721	85.7
263.06030	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0551
Annotation	Maclurin
Peak:m/z	Relative Intensity
51.81212	0.2
55.01881	0.4
55.05505	1.1
57.03451	0.3
59.34745	0.2
67.05527	0.3
68.99815	0.8
69.03427	1.2
69.86970	1.2
71.01350	0.3
71.04967	0.2
73.06549	1.6
79.05494	0.4
81.03434	0.6
81.07063	0.4
83.04996	0.7
85.02917	1.6
91.05516	0.7
93.07027	0.4
95.01336	0.4
95.04986	0.4
97.02904	0.9
98.06059	0.2
98.21238	0.6
99.00804	0.2
101.06017	0.6
105.07030	0.4
107.08594	0.3
109.02904	0.6
111.00828	0.7
116.20984	0.3
116.98557	0.3
117.03573	0.2
118.31107	0.2
119.08556	0.5
123.00832	0.4
123.04447	0.2
124.01586	0.7
127.03911	1.1
135.08009	0.3
137.02379	0.4
139.03932	0.4
143.08621	0.4
145.04996	0.3
147.04414	0.4
150.03139	2.6
153.01846	1.9
154.02592	0.3
161.05978	0.3
163.03912	1.1
163.07486	0.3
164.04646	0.5
166.02646	0.6
167.03413	3.2
170.02148	0.4
171.04402	0.4
174.03152	1.0
175.07529	0.2
176.04660	0.5
178.02614	3.1
179.03439	0.6
185.09581	0.3
189.05382	0.3
189.12782	0.3
191.03424	0.5
192.04196	0.9
193.04988	0.7
199.11259	0.5
202.02641	1.2
203.03401	6.7
204.04265	1.6
206.02029	0.6
207.02882	0.3
217.04968	3.6
217.12177	0.4
219.02881	0.5
220.03673	11.5
235.06023	0.7
245.04514	0.4
245.11952	0.7
245.15161	0.3
248.03171	40.0
263.05508	100.0
264.05884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03937	6.1
54.93724	1.5
55.05515	15.4
57.07075	2.9
65.03932	3.5
67.05505	47.5
69.07075	14.6
69.26519	6.1
69.26945	6.8
71.04987	1.9
71.08624	1.4
76.89397	1.3
79.05495	76.6
81.07060	49.9
83.04971	1.6
83.08613	6.5
85.06536	2.1
91.05485	39.0
93.02695	1.3
93.07046	98.7
95.04984	6.7
95.08608	37.0
97.06519	2.1
97.10178	3.1
98.21317	5.7
99.08144	1.6
103.19701	1.6
105.04512	2.0
105.07027	20.1
107.08598	58.5
109.06509	2.3
109.10155	13.0
113.09617	2.2
117.07021	9.7
119.08578	15.2
121.09303	2.8
121.10150	42.0
123.08086	1.5
123.11698	7.3
131.08575	13.7
133.10139	10.3
135.11697	32.4
137.13249	2.2
145.10101	10.2
147.11705	7.2
149.13274	18.1
153.08141	1.7
159.11716	10.4
161.13245	6.0
163.11229	1.9
163.14825	9.8
165.34874	1.5
173.13202	8.0
175.14809	3.9
175.27089	1.2
177.16399	2.9
187.14804	5.9
233.22621	2.2
243.21059	11.1
253.20268	1.5
261.22147	100.0
264.99646	1.4
272.65726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
57.07081	5.4
58.06603	0.6
60.59955	0.4
67.05489	0.7
69.03431	0.6
69.07061	1.2
69.37115	2.5
69.37540	1.6
70.06596	13.9
71.08630	4.1
71.93930	0.4
72.04539	0.4
79.05496	0.8
81.07060	1.0
84.08143	1.4
86.06050	0.6
87.04469	29.3
88.02205	0.5
88.07637	14.9
91.05476	0.7
95.04999	0.7
95.08574	0.7
97.02867	0.5
98.20861	1.7
102.09220	1.2
105.07040	1.4
106.08661	2.1
111.09983	0.5
114.09169	6.0
117.07052	0.5
118.06551	10.2
118.08646	2.6
119.07284	0.5
126.85971	0.5
130.06500	0.7
130.08603	0.7
131.08510	0.4
132.08095	3.4
132.10214	22.1
133.06528	0.6
133.08873	2.0
134.09607	0.8
139.79037	0.5
146.09662	3.4
147.10442	0.5
150.11259	16.7
150.12430	1.1
157.10165	0.5
159.08009	0.8
176.14351	68.3
177.14738	0.5
186.18513	1.1
189.05501	1.3
200.20099	1.9
218.11696	0.5
218.21161	7.3
233.08000	0.6
233.18927	0.7
262.18027	92.6
262.23779	100.0
263.12775	1.7
263.18491	1.0
263.24130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.05514	15.9
57.07071	3.5
57.54155	1.5
59.39221	1.3
65.03954	1.6
65.32566	1.3
67.05508	45.5
67.05864	2.3
69.07069	13.0
71.04988	2.8
71.08601	2.1
73.62611	1.1
77.03899	2.2
77.23889	1.1
79.05495	78.7
81.07063	49.1
83.04954	1.5
83.08624	6.0
85.06547	2.8
91.04963	2.1
91.05487	32.7
92.22491	1.1
93.07049	98.1
95.04974	6.4
95.08614	37.0
97.06529	1.7
97.10159	1.8
98.20933	8.8
98.21607	2.6
103.10378	1.3
105.04488	1.4
105.07032	21.1
107.08601	58.8
109.06524	2.9
109.10149	13.7
111.08085	2.0
113.09633	2.5
117.07039	7.5
119.08591	16.2
121.10151	49.3
123.08055	1.6
123.11732	6.4
130.06660	1.3
130.07793	1.1
131.08577	14.5
133.10136	12.4
133.77736	1.3
135.11699	36.0
145.10123	14.4
147.11697	9.2
149.13274	19.1
157.83072	1.3
159.11699	10.5
161.13275	5.6
163.14857	10.9
173.13316	9.6
175.14822	3.9
177.16396	3.1
187.14827	6.2
195.10562	1.3
201.16371	2.2
229.59496	1.4
233.22655	4.1
243.21121	13.2
261.13034	3.1
261.22159	100.0
262.22559	1.4
282.18488	1.3
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	Dinortrixagone
Peak:m/z	Relative Intensity
51.02381	1.3
52.82520	0.7
53.03942	3.5
55.01876	1.4
55.05256	1.3
55.05510	16.5
57.03434	2.3
57.07076	6.0
60.97157	0.7
65.03946	0.8
67.05503	44.8
67.28497	0.7
69.07066	13.9
69.42087	5.1
69.42491	1.2
71.05003	3.2
71.08646	1.8
74.80289	0.7
77.03928	1.0
79.05492	72.5
79.34857	0.7
81.03450	1.0
81.07059	46.6
83.04964	1.2
83.08604	5.9
85.06542	3.2
85.10207	1.8
91.04890	0.9
91.05479	34.2
93.07043	100.0
95.04958	7.9
95.08603	34.8
97.06528	2.1
97.10158	2.9
98.20737	1.4
99.08137	1.3
103.05490	0.8
105.04539	1.6
105.07033	22.3
107.08595	57.2
109.06520	2.7
109.10154	13.5
111.08103	1.7
113.09650	2.7
117.07025	7.2
119.06026	0.8
119.08578	15.0
121.10143	41.5
123.08068	1.6
123.11705	4.8
129.06947	0.8
131.08571	17.0
133.10129	12.7
135.08063	1.7
135.11697	33.8
137.13237	1.6
139.03862	0.8
145.10120	13.8
147.11693	9.5
149.13261	20.1
151.14899	1.2
153.12758	0.9
159.11691	11.5
161.13246	8.4
163.11217	0.8
163.14833	11.5
167.13158	0.8
173.13257	11.0
175.14848	3.2
177.16438	2.9
187.14827	6.3
201.16344	1.9
205.15973	1.2
215.17978	3.4
219.17422	1.4
233.22617	2.0
243.21114	16.2
261.11218	1.2
261.22137	92.6
262.22495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02375	0.8
53.03941	2.6
55.01879	1.1
55.05254	1.2
55.05511	15.6
57.03432	1.7
57.07074	4.8
65.03935	2.9
67.05504	53.3
69.07069	14.8
70.23401	1.6
71.04991	2.0
71.08627	1.9
77.03929	0.9
79.05494	74.1
81.07058	53.1
83.04986	1.1
83.08621	6.8
85.06540	2.8
85.10193	0.8
85.49373	0.6
88.08933	0.6
91.05482	34.4
93.07044	98.8
93.99594	0.6
95.04967	8.5
95.08608	42.6
97.06532	2.6
97.10174	2.1
98.21033	1.1
98.71722	0.6
99.08101	2.4
103.05421	0.7
105.04508	1.9
105.07034	22.2
107.04937	0.7
107.08594	62.3
109.06506	2.5
109.10154	15.4
111.08072	1.4
113.09634	2.2
117.07011	9.9
119.06108	0.7
119.08582	15.1
120.82911	0.6
121.06547	0.7
121.10145	46.6
123.08106	1.0
123.11720	5.2
127.11229	0.6
129.06993	1.0
131.08568	19.3
133.10129	12.9
135.11693	35.8
137.13269	1.2
139.03891	2.0
143.08571	0.9
145.10129	13.5
147.11687	10.4
147.12788	1.0
149.09630	1.2
149.13261	20.6
151.11179	0.9
153.12778	1.2
159.11705	13.4
161.13261	8.8
163.03954	0.7
163.14827	12.4
165.12744	1.0
173.13260	11.9
175.14832	3.6
175.21414	0.6
177.12810	1.1
177.16394	3.3
179.14395	0.9
187.14803	5.7
189.16347	1.1
201.16415	1.9
205.15891	1.2
215.18037	1.3
219.17397	1.4
233.22626	2.8
243.21089	16.6
261.22141	100.0
262.22559	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.94674	0.6
53.03954	4.0
55.01886	0.8
55.05266	0.7
55.05514	12.8
57.03437	2.2
57.07077	3.4
65.03944	1.6
67.05505	43.5
69.03426	0.9
69.07072	14.3
69.41546	6.0
71.04991	1.8
71.08631	1.2
72.21158	0.6
77.03894	0.9
79.05494	56.3
81.07059	44.9
83.04987	1.1
83.08618	5.9
84.11611	0.8
85.06538	3.2
91.05485	27.8
93.07046	71.7
95.04987	5.7
95.08607	35.1
95.09232	0.9
97.06529	3.1
97.10166	3.2
98.21011	2.8
98.21578	0.9
99.08089	3.2
105.07028	19.0
107.04913	0.8
107.08595	48.5
109.06498	2.5
109.10159	16.1
111.08069	2.7
111.11642	0.7
113.09650	1.1
115.05457	1.0
117.07021	7.0
119.08580	17.2
121.10146	39.7
123.08067	2.0
123.11698	5.6
125.09618	1.2
131.08562	15.3
133.10135	13.1
135.08081	0.8
135.11697	35.1
137.09590	1.8
137.13240	1.8
145.10132	15.7
147.11674	11.1
149.09619	1.5
149.13263	28.6
151.11197	1.5
151.14751	0.9
159.11702	10.4
161.13246	11.8
163.13423	1.1
163.14810	18.2
165.12817	1.5
165.46678	0.8
173.13278	10.5
173.75951	0.8
175.14839	4.3
177.16405	4.6
177.67108	0.6
179.14326	1.3
187.14838	7.1
193.15846	0.9
198.04654	0.7
201.16385	3.0
205.15950	1.3
215.17943	2.9
217.19444	1.1
219.17517	1.1
233.18935	0.7
233.22725	1.6
243.21095	29.2
261.22147	100.0
262.22449	1.9
278.46475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02360	0.9
53.03934	2.9
55.05262	1.0
55.05512	13.0
57.03429	1.4
57.07072	3.5
59.04994	0.7
65.03936	1.5
67.05507	36.8
69.07069	12.1
69.58736	2.6
69.59167	2.7
71.04980	3.0
71.08653	1.7
77.03895	0.9
79.05492	51.0
81.07057	43.9
83.04964	1.6
83.08617	8.5
85.06519	3.3
88.33979	0.8
91.05478	28.4
93.07047	72.4
95.04941	4.2
95.08607	33.5
97.06560	3.7
97.10188	3.6
98.21078	2.7
99.08089	2.9
105.04498	0.8
105.07034	23.1
107.08598	47.2
109.06506	2.3
109.09453	1.0
109.10156	13.0
111.08070	3.2
113.09667	1.1
117.07021	6.0
119.08588	16.1
121.06486	1.1
121.10144	40.4
123.04404	1.1
123.08082	2.2
123.11707	4.6
129.06944	0.9
131.08563	14.9
133.10141	12.3
135.08031	1.3
135.11690	34.3
137.09610	1.3
137.13229	1.3
145.10127	15.8
147.11681	12.2
149.09575	1.1
149.13263	23.6
153.12589	0.8
159.11694	10.8
161.13260	12.2
163.11140	1.4
163.14832	16.7
165.12729	1.1
173.13261	10.5
175.14835	4.2
177.12759	1.1
177.16438	4.4
179.14233	1.0
187.14767	6.5
189.16463	0.9
191.14333	0.9
201.16441	4.1
205.15817	1.4
215.17960	18.7
217.19630	1.4
233.18774	1.1
233.22549	1.7
243.21083	31.9
246.87186	0.7
261.11108	1.4
261.18579	6.9
261.22144	100.0
262.22424	1.6
265.56964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
50.72367	0.3
53.03939	0.6
55.01834	0.4
55.05506	1.9
57.07077	0.8
59.17385	0.4
62.96513	0.4
65.03940	0.3
67.05505	4.7
68.99769	0.4
69.07066	3.1
69.45199	2.9
79.05491	5.5
81.07060	9.0
83.08615	1.5
91.05476	4.6
93.07046	8.4
95.04957	0.7
95.08605	9.4
97.06517	0.7
97.10156	0.5
98.20989	1.5
99.08070	0.5
105.07033	6.7
107.04937	0.7
107.08601	11.5
109.06538	0.7
109.10161	5.2
113.09643	0.4
117.07042	2.5
119.08579	13.3
121.06569	0.5
121.09303	0.7
121.10144	8.7
123.04408	0.9
123.08041	0.5
123.11674	1.2
129.07095	0.3
130.07768	0.6
131.08580	5.2
133.10121	5.0
135.08073	1.0
135.11697	3.1
137.05983	0.4
139.03876	1.4
143.08589	0.4
144.09349	0.4
145.10124	15.1
147.11705	2.9
147.39114	0.4
149.13222	1.2
151.07451	0.4
153.05461	3.2
153.09132	0.5
159.11699	12.9
160.12297	0.5
161.09572	0.4
161.13228	2.2
163.03947	0.8
163.07625	0.4
163.14809	0.8
165.09093	0.6
171.11650	0.8
172.12450	0.5
173.13261	6.8
175.14781	0.7
177.05440	0.6
177.09102	1.0
179.10661	0.7
183.11649	0.4
185.13289	0.6
186.14018	0.9
187.14841	2.3
191.10773	0.5
197.13202	0.5
200.15668	1.0
201.16447	1.2
203.17987	2.4
205.08574	0.4
205.12334	0.4
212.38322	0.4
213.16386	0.4
215.17957	100.0
216.18291	1.2
217.19510	1.2
219.17256	0.3
233.19064	0.7
243.13789	0.7
243.17410	0.4
243.21049	2.5
261.11133	0.8
261.14963	4.0
261.18506	31.8
261.22089	6.0
262.18863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
53.14048	1.2
55.05517	7.6
57.03449	1.5
57.07066	2.2
67.05503	19.2
69.07069	6.8
70.17002	3.6
71.04963	1.7
72.52142	1.0
79.05061	1.4
79.05494	15.8
81.07063	17.7
83.04969	1.3
83.08612	2.3
85.06548	1.7
91.05484	39.4
93.07052	19.7
95.08601	12.3
97.06528	1.3
97.10137	1.0
98.20978	1.9
105.07034	50.6
107.08595	10.1
107.14031	1.0
109.10122	3.8
117.07041	10.5
119.08590	38.6
121.10134	8.1
129.01863	2.5
129.07016	3.8
130.07790	1.8
131.08560	14.7
133.10133	35.5
135.11687	5.5
137.99019	1.0
143.08560	7.4
145.10129	9.4
147.11690	25.0
149.13281	2.3
151.69212	1.1
157.10103	5.2
159.11700	10.8
161.13284	13.1
163.14758	1.2
170.74178	1.1
171.11699	6.3
173.13281	5.3
175.14816	5.0
185.13290	6.5
199.14842	2.9
231.21083	2.7
241.19539	9.7
242.32520	1.4
259.20578	100.0
260.20865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1122
Annotation	Pertilide
Peak:m/z	Relative Intensity
55.05504	1.7
57.03421	0.9
57.07059	3.3
58.07397	0.9
67.05495	3.2
69.07053	2.3
70.06575	3.2
71.06937	1.5
79.05482	2.0
81.03455	0.9
81.07041	4.6
88.07618	3.4
89.07978	0.9
91.05468	5.0
93.07073	4.0
95.08575	3.6
98.20677	1.9
98.21363	3.7
102.09126	0.8
103.09492	1.2
105.07042	3.3
106.08650	1.8
107.04962	1.2
107.08588	3.5
109.10152	3.0
115.05458	4.5
115.06178	0.8
116.06216	0.9
117.06993	1.7
119.08569	3.1
121.06503	1.0
121.10144	2.8
123.04395	1.1
128.06209	2.8
129.07007	14.1
130.07820	1.0
131.04897	2.7
131.08563	14.9
133.10150	1.5
135.11716	2.4
137.06033	1.2
141.06995	25.1
143.08540	1.7
144.05699	2.0
145.06499	2.7
145.10124	1.8
149.05972	1.2
149.13271	1.7
157.06476	10.0
158.07286	19.7
159.08047	9.2
159.11729	1.3
160.05196	2.9
161.09593	1.5
164.80807	0.8
168.05772	1.3
169.06494	10.7
170.07246	6.0
171.08093	1.6
173.06024	1.3
173.09613	2.7
174.06775	23.5
175.07596	6.0
177.09268	0.9
183.08061	0.8
186.06749	22.2
187.07549	2.6
188.08263	1.4
189.09111	32.5
191.10681	2.1
201.09109	100.0
213.09088	2.0
215.10585	1.7
215.14394	1.1
217.08580	1.3
219.10156	48.7
231.10184	1.0
243.25159	1.9
261.03873	1.6
261.11224	62.0
261.14642	2.1
261.18533	3.3
261.26166	32.5
270.34164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	Pertilide
Peak:m/z	Relative Intensity
55.05506	0.7
58.70212	0.7
67.05521	1.3
69.07091	0.8
69.92056	3.0
71.05017	0.6
79.05482	1.7
81.07061	1.9
83.04986	1.1
91.05477	3.7
93.07059	1.6
95.08603	2.1
97.47416	0.7
98.21135	1.8
103.05495	1.3
105.07036	1.6
107.08598	1.8
109.10132	0.9
109.84405	0.7
115.05464	4.5
116.06252	1.1
117.07023	1.6
119.08588	1.9
121.06491	1.0
121.10149	1.5
122.71374	0.6
123.04379	0.7
128.06180	3.1
129.07008	13.5
130.07814	1.6
131.04927	2.5
131.08577	17.0
133.10188	1.1
135.08028	1.3
135.11655	0.9
137.06007	0.9
137.09637	1.1
141.06995	24.7
143.08560	1.5
144.05708	1.9
145.06480	3.1
145.10239	1.0
146.07242	1.9
147.04453	0.8
147.08064	1.4
151.03870	0.7
151.07619	0.8
153.06938	1.3
155.05000	0.8
155.08612	1.1
157.06485	9.4
158.07281	20.2
159.04443	1.2
159.08075	11.5
160.05255	2.6
161.09610	1.7
163.07605	1.3
168.05693	1.3
169.06485	11.6
169.07753	0.8
170.07292	9.1
171.04439	1.1
171.08055	1.2
173.06006	1.4
173.09642	1.4
173.13297	0.8
174.06778	27.0
175.07578	5.5
183.08112	0.8
185.06021	0.7
186.06761	22.9
187.07538	2.9
188.08318	1.2
189.09114	35.6
191.10683	2.8
201.09123	100.0
202.09358	1.4
213.09145	1.9
215.10609	0.9
215.14232	1.0
217.08563	1.7
219.10175	50.7
231.10106	1.4
261.11237	69.5
261.14670	2.4
261.22113	1.2
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	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03942	1.4
55.01861	0.8
55.05265	0.5
55.05516	8.2
56.65584	0.4
57.03437	1.3
57.07074	1.2
65.03947	1.2
67.05511	20.4
67.05871	1.1
69.07068	6.5
70.50997	0.6
70.51328	1.1
71.04984	1.7
77.03931	0.5
79.05062	1.0
79.05501	15.6
81.07063	17.8
83.04968	0.7
83.08636	2.4
84.94395	0.5
85.06554	1.9
91.05486	36.8
91.68803	0.5
93.07055	16.9
95.04974	2.3
95.08047	0.9
95.08615	13.1
97.06516	1.5
97.10160	1.0
99.08076	0.9
103.05440	1.4
105.07037	50.3
107.04962	0.7
107.08601	10.3
109.06532	1.1
109.10178	4.7
111.08090	0.9
113.09640	0.5
115.05450	1.2
117.07029	9.9
119.08591	38.4
121.06586	0.9
121.10160	7.2
123.08070	1.0
123.11674	0.9
125.09668	0.6
127.19073	0.5
128.06259	1.3
129.01837	1.5
129.07027	5.5
130.07762	1.3
131.08582	15.3
132.09395	0.7
133.10139	35.0
135.08078	1.1
135.11696	4.6
139.03891	3.2
142.07751	1.1
143.08577	5.9
144.09296	0.7
145.09032	0.9
145.10136	14.0
146.10919	0.6
147.04375	0.6
147.08035	1.1
147.11696	21.4
149.09592	1.5
149.13300	2.4
151.11168	0.5
153.05452	0.5
155.08556	0.6
157.10144	6.1
159.11703	11.0
161.09668	0.8
161.13269	16.1
163.03889	0.9
163.11185	0.8
163.14784	0.7
170.10867	0.5
171.11696	6.5
173.13290	5.4
175.11217	1.1
175.14845	7.0
177.05499	0.7
177.12759	0.9
181.50992	0.4
185.13261	6.1
187.14752	1.3
189.12721	1.2
189.16386	0.7
199.14816	3.6
203.07050	1.1
203.14313	0.6
213.16365	0.8
215.17955	1.1
217.96748	0.5
231.17480	0.6
231.21042	2.5
241.19516	12.9
254.90079	0.5
259.09851	1.4
259.13287	7.8
259.20587	100.0
260.20981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	1.4
55.01870	1.0
55.05511	8.7
57.03431	1.2
57.07057	2.0
65.03924	1.0
67.05165	1.2
67.05506	17.6
69.03436	1.0
69.06717	1.1
69.07070	13.3
70.05260	1.2
70.05611	3.0
71.04994	7.3
75.01254	0.6
79.05070	0.7
79.05495	12.7
81.07059	18.2
83.04961	2.3
83.08609	3.4
83.43626	0.7
85.06539	6.2
91.05482	30.3
93.07046	18.9
95.04967	2.0
95.08605	16.0
97.06516	2.2
97.10176	1.7
98.21250	1.9
99.08103	1.1
103.05437	0.8
105.07034	45.0
107.04951	1.3
107.08597	14.1
109.06512	2.6
109.10148	7.0
111.08072	4.0
117.07009	8.8
118.07893	0.8
119.08584	44.5
120.45106	0.6
121.10159	9.7
123.08038	1.7
123.11714	7.4
128.06245	1.4
129.01871	1.2
129.07028	4.0
130.07806	1.3
131.08572	15.0
132.09428	1.1
133.10133	37.2
135.08083	4.5
135.11687	4.1
137.05951	1.3
137.09604	1.7
139.03870	1.2
142.07770	1.3
143.08562	8.1
144.09291	0.8
145.10135	18.9
146.11070	0.8
147.07962	1.0
147.11699	22.5
149.09607	1.1
149.13260	3.8
151.11174	0.8
153.05469	4.1
156.09380	1.5
157.10155	7.3
159.11693	15.0
160.12494	1.3
161.09644	1.6
161.11949	1.4
161.13248	19.2
163.11151	1.6
170.10884	1.4
171.11703	9.9
173.13260	8.4
175.07542	0.7
175.11198	2.2
175.13260	1.3
175.14818	27.1
176.15680	1.2
177.05495	2.8
177.12738	2.1
177.16380	1.4
185.13264	9.7
187.14720	1.3
189.12801	2.4
189.16466	2.0
190.13513	1.2
191.07042	1.3
197.13242	0.7
199.14790	3.9
201.16411	7.5
203.06898	0.9
203.14330	3.5
213.16367	2.0
215.17990	2.1
217.08574	1.9
217.19391	1.2
229.10197	1.6
230.09233	0.8
231.10176	1.1
231.21054	2.5
241.19482	13.7
244.12450	1.7
259.13153	13.1
259.20578	100.0
260.20871	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	259.167
Annotation	O-1821
Peak:m/z	Relative Intensity
53.43135	0.5
55.05509	0.8
67.05486	1.8
69.07060	0.8
71.18882	1.2
72.08169	0.6
79.05499	0.7
81.07043	1.3
84.95715	0.6
90.09211	0.9
91.05470	1.8
93.07014	1.1
95.08607	1.5
98.21133	0.7
105.07019	1.5
107.08553	1.0
117.06994	1.0
119.08569	1.5
121.10191	0.6
129.06967	0.6
133.10129	1.3
139.03889	0.9
145.10121	0.7
151.03900	0.6
153.05501	1.1
159.11775	0.9
163.03844	1.8
177.05457	1.1
213.16457	0.8
241.19540	0.6
259.16693	100.0
259.28232	3.7
260.80020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.03934	2.1
55.05514	7.9
57.07082	1.9
67.05502	15.4
68.47585	1.1
69.07053	5.1
71.04997	1.7
71.58016	1.2
76.11835	1.3
79.05501	14.3
81.07056	15.3
83.08603	1.8
91.04961	2.2
91.05486	28.0
92.63758	1.3
93.07055	15.4
95.08607	11.3
97.10143	1.3
103.05366	1.2
105.03388	1.2
105.07034	41.8
107.08592	9.2
109.06528	2.0
109.10159	2.2
117.07027	6.8
119.08586	34.5
121.10103	5.9
128.06230	2.4
129.01845	1.8
129.06993	3.9
131.08577	9.2
133.10139	33.0
135.11684	5.1
143.08629	6.3
145.10132	10.9
147.11679	18.1
149.13187	1.2
155.08644	1.2
157.10139	5.6
159.11685	7.9
161.13229	9.6
171.11649	8.0
173.13261	4.0
175.14806	4.8
185.13171	6.0
199.14780	2.9
231.21056	2.3
241.19569	10.5
244.10915	1.7
259.13409	9.4
259.20581	100.0
260.20752	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03936	1.2
55.05522	4.3
57.07064	2.6
65.03926	1.0
67.05505	7.7
69.07068	5.5
69.88686	3.4
71.04987	4.1
77.03898	0.8
79.05491	6.0
81.07064	6.5
83.04976	1.6
83.08608	2.1
85.06550	4.3
88.07636	1.0
91.05476	8.4
93.07050	11.7
95.04961	3.7
95.08605	10.4
97.06537	2.0
98.20879	1.0
99.08092	1.8
102.09202	1.2
103.05446	1.0
105.07040	17.9
107.08603	13.7
109.06548	5.6
109.09576	0.8
109.10175	9.9
111.08049	1.3
115.05385	1.2
117.07010	6.0
119.08582	17.1
121.06566	1.4
121.10149	45.1
123.08069	2.3
123.11660	1.9
128.06245	2.2
129.07042	5.2
130.07773	1.4
131.08578	14.6
133.10136	9.2
134.41304	1.0
135.08072	11.5
135.11679	3.8
137.09602	4.6
141.06973	2.1
142.07787	5.5
143.08574	18.2
144.09290	2.8
145.10130	18.0
147.08090	1.5
147.11700	4.0
149.09653	3.7
151.11208	1.3
152.38376	0.8
153.07010	1.1
155.08522	4.7
156.09402	4.9
157.10143	22.9
158.10922	4.5
159.08054	2.9
159.11708	26.8
161.09630	3.1
161.13333	1.8
163.11174	3.2
167.08583	0.9
168.09349	2.8
169.10149	10.0
170.10884	2.6
171.11693	13.3
173.09607	2.3
173.13271	27.7
174.14063	4.4
175.11208	3.1
175.14793	3.3
177.12718	2.4
181.09898	1.0
182.10950	1.9
183.11671	9.7
184.12448	2.9
185.13341	3.1
187.11200	7.5
187.14772	4.3
189.12798	2.8
195.11736	2.3
196.12405	1.4
197.13255	10.7
198.13840	0.8
199.12962	1.7
199.14833	28.7
201.12756	8.4
209.13297	1.1
210.14067	1.0
211.14803	1.8
213.16379	11.2
214.17134	3.0
215.14369	3.5
215.17891	8.6
224.15633	2.8
229.15886	0.9
237.50183	0.8
239.17973	15.3
242.16679	1.2
257.19022	100.0
257.26566	7.7
258.19183	1.3
258.28033	1.6
258.58694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14046	0.3
53.03938	0.4
54.03447	0.4
55.01855	0.4
56.96569	3.1
57.03420	0.6
58.99571	0.4
61.02907	0.7
65.03925	0.4
67.04250	2.3
69.03437	1.7
70.06578	0.5
70.88985	0.9
73.01113	0.7
73.02898	0.5
74.00287	0.5
74.00667	7.3
79.01873	2.0
81.03393	1.6
82.03738	0.6
83.05026	0.3
84.04478	0.6
84.08125	0.9
85.02887	1.6
85.06532	0.6
86.09692	1.2
87.10036	0.9
91.05465	0.4
95.04975	0.6
96.08162	0.3
97.02886	2.2
98.21035	0.5
98.97582	4.3
100.02209	100.0
101.00852	0.8
107.01292	0.5
109.02882	4.1
110.03237	2.9
110.97578	0.7
111.05573	1.6
114.05541	1.1
116.98620	2.4
118.03255	5.0
118.04066	0.6
119.01929	1.5
119.04882	0.4
120.01230	0.4
123.04452	0.4
125.02411	0.8
127.03911	0.9
128.98569	0.8
129.06934	0.4
130.06448	0.6
131.01891	1.1
133.03499	0.8
134.99655	0.6
143.00215	0.4
143.01961	0.7
143.03424	1.6
143.04596	0.4
145.03484	0.8
146.02715	97.3
147.03114	0.6
149.02394	1.1
151.07567	0.4
153.01845	19.4
153.02904	1.2
154.02205	1.2
155.01888	0.8
157.06314	0.3
157.07651	0.5
158.99686	1.0
161.01297	0.5
161.03021	1.1
169.03604	0.4
169.65674	0.4
170.99748	0.4
172.05223	0.4
173.01360	0.5
173.03018	1.5
174.99094	0.5
175.02745	0.7
175.04202	0.4
177.00807	1.3
185.03043	0.7
187.04041	0.7
187.07568	2.0
196.04355	0.4
203.03975	0.8
213.06960	21.8
216.04390	0.6
217.00311	0.9
219.01941	0.6
221.05276	1.0
231.02910	4.3
231.06712	1.2
235.01381	1.4
237.02960	1.0
238.04350	0.6
241.01590	0.4
242.00722	0.4
245.05273	1.5
247.04878	0.7
255.05493	0.4
259.02557	2.0
259.07718	20.0
259.12906	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.1
55.05505	2.5
56.96547	2.6
57.03443	14.0
57.07058	2.0
58.99858	5.1
59.04977	2.0
61.02898	6.2
67.05486	2.2
69.03410	8.1
69.32471	12.9
69.32875	3.6
70.24725	1.8
71.01353	2.8
71.04976	3.4
73.02924	12.0
75.04488	3.3
77.00911	2.5
81.03402	5.2
82.01419	2.9
85.02518	1.7
85.02911	23.8
85.06532	3.3
87.04451	5.5
89.02386	2.5
95.01252	1.7
97.01376	7.6
97.02895	23.4
98.20765	3.6
98.21422	4.5
98.97552	3.2
98.98468	2.7
100.02499	14.1
101.00874	8.1
101.02390	9.0
103.02406	4.5
109.02885	3.8
113.00876	2.4
113.02332	3.7
115.02448	45.7
115.03888	12.3
116.98635	2.0
117.04017	13.7
118.03492	7.0
119.01926	25.4
120.01981	2.2
121.03412	2.6
124.03959	28.6
126.05501	5.2
127.02427	2.9
127.03887	7.6
129.01852	12.8
131.01918	9.2
133.03477	30.0
133.04964	2.5
134.06010	3.7
135.03079	2.1
135.05019	14.3
137.02940	5.6
138.05521	12.0
140.05528	5.5
142.05019	2.5
143.01895	12.5
143.03383	6.5
144.20450	1.8
145.03468	12.1
145.04980	4.4
147.02956	1.8
152.07042	6.5
153.01851	3.1
154.04749	1.9
156.05103	2.0
157.01378	9.0
157.03429	4.1
158.06613	5.4
159.01384	3.5
160.04796	2.7
161.02942	14.4
161.04420	9.0
161.05545	2.0
163.04469	4.8
168.05058	5.2
168.53380	4.3
169.03418	2.9
169.05295	3.7
171.01381	14.3
171.02800	3.3
173.02925	3.3
175.04460	3.9
184.04654	6.1
185.02867	2.3
187.00856	2.8
189.02408	19.4
189.03954	25.0
194.02979	5.5
196.07210	4.1
203.05472	7.6
205.02011	3.5
207.03519	14.4
210.02499	6.0
212.04036	20.8
215.00392	5.1
217.31984	1.6
221.06619	2.5
230.05049	8.2
233.01443	51.8
238.02020	3.6
238.07059	2.2
247.03029	2.3
251.02509	97.1
252.02750	2.4
256.02994	100.0
256.08585	8.0
256.11603	14.5
256.26468	10.3
257.02972	3.6
273.57312	2.1
274.04108	45.7
279.04468	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03441	4.9
60.24372	1.0
70.71892	2.1
75.04469	2.5
79.05499	3.1
79.77916	0.9
81.03403	1.4
81.07088	1.2
85.02892	1.2
90.77437	1.0
91.05479	2.3
94.04179	1.3
95.02453	2.4
95.04954	1.8
103.05453	2.5
105.07034	30.7
107.04926	2.6
109.06506	1.1
113.03502	11.1
115.05436	1.5
122.03645	3.2
122.07401	1.2
133.06494	49.3
137.05984	100.0
145.92404	0.9
153.01830	1.6
163.07541	4.2
165.09117	25.9
175.07556	3.6
181.08513	1.6
183.10178	4.1
221.11713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.01855	9.2
56.96558	7.2
57.03442	21.3
57.07050	2.5
58.99858	5.4
59.04987	5.3
61.02908	9.0
67.05511	3.3
69.03436	16.1
69.07097	2.5
70.06586	2.5
71.01334	5.3
71.04973	5.2
71.54983	3.3
73.02917	16.7
75.04453	2.2
77.00904	3.2
81.03404	5.7
82.01444	3.0
83.04950	2.4
84.04514	3.7
85.02907	30.7
85.06548	5.4
86.69057	2.2
87.04489	11.6
89.02383	3.4
91.05402	2.7
92.03095	2.4
95.01354	2.9
95.06032	2.3
97.01383	4.1
97.02897	27.9
98.97580	6.8
98.98448	3.5
99.04401	5.4
100.02486	14.2
101.00862	7.8
101.02376	22.0
103.02412	5.7
104.45229	2.6
109.02843	4.4
113.00841	3.9
113.02361	5.8
113.03463	3.2
115.02444	39.7
115.03931	21.7
117.03995	16.7
118.03497	7.6
119.01933	33.3
121.03471	2.4
124.03977	24.5
126.05505	10.0
127.02329	2.9
127.03883	8.2
129.01857	25.5
131.01878	9.7
133.03473	28.6
133.04999	3.6
134.05983	4.3
135.05017	12.2
137.02936	5.6
138.05499	17.1
140.05537	4.6
142.03505	2.7
143.01929	14.8
143.03363	11.2
145.03484	14.1
145.04932	5.6
146.99619	2.7
147.02954	2.8
152.07030	6.0
153.01799	10.4
153.05719	6.7
153.23463	2.6
157.01312	17.2
157.03394	4.2
158.06586	4.6
158.99649	2.9
159.01346	2.5
160.04784	2.9
161.02896	18.6
161.04405	21.7
161.05608	3.6
163.04472	6.1
168.05144	5.9
168.53404	3.7
169.05421	4.7
170.03030	2.6
170.06082	3.7
171.01358	13.3
171.02856	7.4
173.03038	5.7
175.02446	2.6
177.00526	2.7
182.09567	2.5
184.04543	10.8
185.03018	4.2
187.00865	4.9
189.02368	19.2
189.03911	59.4
196.07129	6.8
196.99428	3.4
199.04445	3.3
203.03838	3.8
203.05547	17.6
207.03452	7.6
210.02376	5.5
210.07533	7.0
210.11221	7.7
212.04034	18.5
215.00346	3.8
221.06741	2.8
230.05054	6.9
233.01433	46.7
238.07054	3.9
238.10754	2.9
245.05083	3.6
250.99858	5.1
251.02495	100.0
256.02957	90.3
256.08252	9.7
256.11594	21.3
256.26422	14.4
259.06528	3.3
274.04083	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	257.081
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03944	0.4
53.20073	0.5
53.96882	0.4
55.01880	0.5
55.05510	1.0
56.53554	0.3
57.03452	0.5
57.07079	0.7
67.01869	5.0
67.05505	2.5
68.99790	3.0
69.03428	1.9
69.07056	1.2
71.58051	0.7
79.05505	3.3
79.07831	0.4
81.03428	0.9
81.07059	2.4
83.08624	0.8
85.02898	0.5
85.06557	0.9
91.05489	3.5
93.07036	1.6
95.04967	1.3
95.08616	3.0
97.02882	1.3
97.06496	0.5
98.21224	0.4
102.28360	0.4
103.05476	22.6
105.03379	0.9
105.07047	2.8
106.02685	0.4
107.04964	2.8
107.08591	1.5
109.10159	1.6
111.00811	0.8
117.07040	1.1
119.08582	1.6
121.10155	1.2
123.04430	0.8
123.08068	0.5
123.11746	0.8
125.02347	1.0
127.03919	0.5
129.01846	0.5
129.07002	0.9
129.09840	0.4
131.04933	43.6
131.08568	1.2
133.06538	0.5
133.10100	1.1
135.11743	0.5
137.06000	1.6
141.06999	0.8
143.08572	0.9
145.06505	1.5
145.10133	1.2
147.08051	0.8
147.11765	0.7
151.03972	2.2
153.01834	100.0
154.02133	0.6
155.08533	0.6
157.10109	0.8
159.11728	1.5
161.13205	0.5
169.10155	0.5
171.02888	15.6
171.11757	1.1
173.06013	2.4
173.09602	0.4
173.13260	1.2
175.14795	0.5
179.03432	1.8
183.08069	0.6
183.11694	0.5
187.14703	0.4
191.07054	0.9
197.09581	0.5
197.13293	0.5
199.14944	0.7
201.12779	0.5
201.16350	0.6
215.07045	1.8
215.10754	0.5
229.06305	0.6
229.08502	0.5
233.03703	0.4
239.07056	0.8
239.18024	0.6
257.08090	97.8
257.15225	2.3
257.18909	2.8
257.22638	2.9
257.26740	0.8
258.08337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01846	4.7
55.05504	1.8
56.60741	1.4
56.96547	2.8
57.03444	11.7
57.07064	2.1
58.30604	1.2
58.99841	6.2
59.04969	2.8
61.02908	5.6
69.03429	13.1
71.01325	4.9
71.04965	5.5
71.56149	2.0
73.02913	11.2
77.00885	4.3
80.04994	1.6
81.03394	4.4
82.01431	3.9
83.04977	1.6
84.04482	2.2
85.02913	22.7
85.06483	1.9
87.00832	2.1
87.04444	4.7
91.03925	1.7
97.01366	4.5
97.02888	25.3
98.03192	2.2
98.97552	2.8
98.98438	1.9
99.02922	2.1
99.04408	3.7
100.02482	17.7
101.00914	7.2
101.02373	8.3
103.02409	2.6
103.03959	1.4
108.45251	1.5
109.02879	2.5
113.00848	2.6
113.02338	3.4
114.11222	1.3
115.01634	2.3
115.02438	46.3
115.03894	8.7
116.98597	2.6
117.04005	21.8
117.45949	1.4
118.03518	9.5
118.04992	2.5
119.01161	1.7
119.01927	27.9
119.33562	1.3
121.03465	2.9
124.03954	28.8
126.05494	4.3
127.02386	2.8
127.03881	5.2
129.01843	8.6
131.01907	8.7
133.03465	31.7
133.04944	2.1
135.05040	18.3
137.02937	6.6
138.04048	1.5
138.05518	6.7
139.08633	1.4
140.05562	7.3
142.03525	2.7
143.01909	12.4
143.03368	2.6
144.99759	1.9
145.03419	18.7
145.04875	2.9
147.05023	3.1
149.03026	1.9
150.06587	3.3
152.07019	3.0
153.01747	3.1
154.03506	2.3
155.01845	1.4
156.05006	1.6
157.01341	6.5
157.03442	5.0
158.06602	5.4
159.01372	2.7
160.04767	8.1
161.02919	12.6
161.04410	9.4
161.05579	3.0
163.04498	8.0
163.05672	1.7
166.03477	3.7
167.01923	1.6
168.05099	7.6
168.53406	7.2
169.03374	1.7
169.05223	4.1
170.02953	1.9
171.01413	17.9
171.02856	3.3
173.02948	3.3
174.00694	1.7
175.00902	1.7
175.04471	3.2
175.55370	1.8
180.56052	1.8
181.06027	1.5
184.04553	13.4
185.02910	1.8
186.06049	1.7
187.00835	6.2
189.02388	22.8
189.03925	14.3
192.01819	2.9
194.02974	5.1
196.07146	5.4
199.04390	1.8
203.03850	2.0
203.05484	5.7
205.01921	2.5
207.03520	12.4
210.02414	6.2
210.11076	2.0
212.04039	23.0
215.00266	7.9
221.04904	1.7
228.03368	1.8
228.10046	1.9
230.05125	7.3
233.01430	45.3
238.02025	3.1
238.07048	2.0
251.02489	100.0
256.02966	86.2
256.08734	6.0
256.11838	6.9
256.26413	7.9
270.04410	3.0
274.01233	2.8
274.04095	47.8
279.04480	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	256.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01846	4.7
55.05504	1.8
56.60741	1.4
56.96547	2.8
57.03444	11.7
57.07064	2.1
58.30604	1.2
58.99841	6.2
59.04969	2.8
61.02908	5.6
69.03429	13.1
71.01325	4.9
71.04965	5.5
71.56149	2.0
73.02913	11.2
77.00885	4.3
80.04994	1.6
81.03394	4.4
82.01431	3.9
83.04977	1.6
84.04482	2.2
85.02913	22.7
85.06483	1.9
87.00832	2.1
87.04444	4.7
91.03925	1.7
97.01366	4.5
97.02888	25.3
98.03192	2.2
98.97552	2.8
98.98438	1.9
99.02922	2.1
99.04408	3.7
100.02482	17.7
101.00914	7.2
101.02373	8.3
103.02409	2.6
103.03959	1.4
108.45251	1.5
109.02879	2.5
113.00848	2.6
113.02338	3.4
114.11222	1.3
115.01634	2.3
115.02438	46.3
115.03894	8.7
116.98597	2.6
117.04005	21.8
117.45949	1.4
118.03518	9.5
118.04992	2.5
119.01161	1.7
119.01927	27.9
119.33562	1.3
121.03465	2.9
124.03954	28.8
126.05494	4.3
127.02386	2.8
127.03881	5.2
129.01843	8.6
131.01907	8.7
133.03465	31.7
133.04944	2.1
135.05040	18.3
137.02937	6.6
138.04048	1.5
138.05518	6.7
139.08633	1.4
140.05562	7.3
142.03525	2.7
143.01909	12.4
143.03368	2.6
144.99759	1.9
145.03419	18.7
145.04875	2.9
147.05023	3.1
149.03026	1.9
150.06587	3.3
152.07019	3.0
153.01747	3.1
154.03506	2.3
155.01845	1.4
156.05006	1.6
157.01341	6.5
157.03442	5.0
158.06602	5.4
159.01372	2.7
160.04767	8.1
161.02919	12.6
161.04410	9.4
161.05579	3.0
163.04498	8.0
163.05672	1.7
166.03477	3.7
167.01923	1.6
168.05099	7.6
168.53406	7.2
169.03374	1.7
169.05223	4.1
170.02953	1.9
171.01413	17.9
171.02856	3.3
173.02948	3.3
174.00694	1.7
175.00902	1.7
175.04471	3.2
175.55370	1.8
180.56052	1.8
181.06027	1.5
184.04553	13.4
185.02910	1.8
186.06049	1.7
187.00835	6.2
189.02388	22.8
189.03925	14.3
192.01819	2.9
194.02974	5.1
196.07146	5.4
199.04390	1.8
203.03850	2.0
203.05484	5.7
205.01921	2.5
207.03520	12.4
210.02414	6.2
210.11076	2.0
212.04039	23.0
215.00266	7.9
221.04904	1.7
228.03368	1.8
228.10046	1.9
230.05125	7.3
233.01430	45.3
238.02025	3.1
238.07048	2.0
251.02489	100.0
256.02966	86.2
256.08734	6.0
256.11838	6.9
256.26413	7.9
270.04410	3.0
274.01233	2.8
274.04095	47.8
279.04480	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
54.29728	1.4
55.01859	5.7
55.05265	1.9
55.05515	32.4
57.03437	53.2
57.07061	6.8
59.04977	1.7
62.45364	1.2
65.03930	4.4
67.05507	76.4
69.03435	4.4
69.06720	2.6
69.07068	30.2
70.00368	3.0
70.00768	4.3
70.23067	1.4
71.01355	7.4
71.04993	11.4
79.05496	62.8
81.03426	8.5
81.07059	42.7
83.04980	20.6
83.08617	10.8
85.02908	7.9
85.06551	13.8
91.05486	30.4
93.07050	79.2
95.04994	9.0
95.08613	22.7
97.06536	20.5
97.10173	21.8
98.98476	30.2
99.04442	2.1
99.08097	5.5
105.07036	9.4
107.04945	4.3
107.08598	56.8
109.02859	1.7
109.06522	3.0
109.09579	1.4
109.10176	17.4
111.08085	5.8
115.05475	1.6
117.07044	7.6
119.08581	12.9
121.06485	4.6
121.10143	15.5
123.11723	4.1
125.06038	1.9
125.09612	4.2
128.06203	1.8
129.06966	2.6
131.08571	2.9
133.06525	1.8
133.10135	8.4
135.08051	4.9
135.11699	100.0
137.05997	1.8
137.09633	3.4
137.13203	1.5
139.11163	5.2
143.08598	2.7
145.06462	2.4
145.10127	18.2
147.11678	1.7
149.13286	1.7
151.07576	2.3
151.11145	1.7
152.06163	1.5
152.08267	1.7
153.01906	8.9
153.12733	4.2
157.10124	3.1
158.06091	2.1
163.11182	11.5
163.14853	3.2
165.07043	2.7
165.09094	2.1
167.07172	1.5
167.08585	4.5
171.11642	1.5
174.05513	3.4
177.12650	1.7
179.10709	1.6
181.08643	2.2
181.12241	18.9
185.09679	2.0
193.08661	7.4
195.08081	5.2
197.13300	2.6
200.07039	1.4
209.13445	1.8
209.15355	2.6
211.09674	6.6
212.06900	2.7
219.13744	1.5
223.07550	2.0
227.07057	2.1
228.10287	2.4
230.08093	3.3
237.18509	3.6
237.22194	2.0
238.08722	3.2
240.07826	2.6
255.06473	5.1
255.10110	11.3
255.15802	38.6
255.21138	2.7
256.09677	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03941	4.1
53.40805	2.8
55.01888	7.6
55.05517	29.8
57.03443	60.5
57.07070	7.4
59.33179	3.0
67.05170	5.9
67.05511	93.4
69.07069	21.3
71.01363	9.1
71.04991	10.3
71.58804	4.5
79.05497	81.5
81.03440	7.9
81.07059	40.6
83.04994	20.7
83.08608	7.8
85.06535	7.6
86.55289	2.9
91.05478	38.1
93.07054	86.1
95.04980	7.5
95.08619	9.8
95.53297	3.1
97.06551	20.8
97.10178	20.9
98.20967	3.3
98.98480	9.8
105.07022	6.5
107.08605	58.6
108.38567	3.2
109.10170	12.2
117.07014	13.1
119.08595	8.7
121.10153	12.6
123.05544	3.9
130.07802	3.8
135.11700	100.0
137.19589	3.1
145.10107	23.7
153.12715	3.5
163.11182	17.7
181.12250	17.5
209.11722	6.7
255.15858	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46952	14.7
55.05511	19.7
57.03441	19.9
57.07045	16.3
67.05495	47.1
71.23778	19.3
74.50996	15.8
79.05485	48.1
81.07046	35.7
83.04956	14.3
91.05450	27.2
93.07055	38.1
95.08603	18.7
97.06528	14.3
98.98479	100.0
105.07021	21.3
107.08598	19.1
109.10151	25.0
116.91820	15.1
119.08582	22.5
121.10142	51.3
135.11696	45.1
139.11182	16.5
153.07150	14.9
159.11798	17.3
161.13252	22.6
177.16273	18.8
201.16408	27.4
219.17416	17.2
223.41505	16.4
254.14616	21.2
256.97870	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01871	3.5
55.05514	24.2
57.03439	49.7
57.07068	4.6
66.17733	1.7
67.05510	65.8
67.05872	3.3
67.48373	1.5
69.07071	20.8
69.55818	10.1
71.01353	7.6
71.05013	8.9
79.05498	56.2
81.03421	6.9
81.07057	28.4
83.04993	16.7
83.08628	6.6
85.06549	3.8
91.05485	25.4
93.07056	66.7
95.04974	7.5
95.08608	12.6
97.06541	16.0
97.10168	16.9
98.20886	4.4
98.21472	3.5
98.98474	16.5
99.08135	2.8
105.07013	5.9
107.04949	2.0
107.08606	46.6
107.09291	3.4
109.10168	7.7
111.01878	1.7
111.08044	3.9
115.87947	1.6
117.07039	8.6
119.08595	7.4
121.10136	11.6
125.09586	3.1
129.06917	1.8
133.10172	5.3
135.08041	2.2
135.11707	100.0
143.08537	2.1
145.10100	14.2
153.05550	1.7
153.12766	3.7
163.11166	13.1
171.11676	2.5
181.12270	17.2
199.13342	1.8
209.11716	5.2
211.14839	2.8
212.18393	1.8
237.16481	2.4
249.15018	1.9
255.10182	2.9
255.15695	33.2
255.20816	2.2
256.26389	1.9
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
53.03932	4.3
55.01859	3.1
55.05269	1.7
55.05511	24.2
55.67404	1.0
57.03439	47.5
57.07059	3.8
59.04960	1.0
61.04533	1.0
65.03915	2.6
67.05506	72.3
69.03432	2.6
69.06730	1.8
69.07069	24.9
71.01376	10.0
71.04998	7.6
73.02914	1.2
77.03907	1.0
79.05495	67.5
81.03423	8.6
81.07062	35.8
83.04543	1.4
83.04984	19.8
83.08611	5.9
85.02898	1.3
85.06549	7.4
85.32528	1.1
91.04964	1.7
91.05485	25.1
93.07047	76.6
95.04968	9.7
95.08604	12.5
97.06532	19.0
97.10172	17.9
98.98460	12.5
99.04452	1.6
99.08065	3.8
105.07049	6.3
107.04935	2.8
107.08597	50.8
109.06478	2.5
109.09547	1.1
109.10152	10.0
111.08040	2.9
111.11713	1.6
115.05498	1.0
117.07044	8.1
119.08607	9.5
119.83646	0.9
121.06516	1.7
121.10145	11.7
125.09621	3.8
130.07788	2.7
133.10114	3.5
135.08096	1.8
135.11699	100.0
136.12009	1.4
137.09572	1.4
143.08614	1.2
145.10136	15.1
151.11179	1.0
153.12698	4.5
163.11171	11.4
171.11606	1.8
181.12250	18.5
195.11578	1.1
199.13260	2.6
255.10228	2.2
255.13316	2.4
255.15849	43.4
255.19954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.29587	0.6
53.03959	2.0
55.01878	2.6
55.05516	7.7
57.03424	1.4
57.07079	8.9
59.05001	1.0
61.02924	4.3
65.03923	1.3
67.05511	23.0
67.64484	0.6
69.03434	3.9
69.07076	9.5
70.74916	2.1
71.04994	2.3
71.08630	0.9
79.05505	6.1
81.03420	1.4
81.07064	23.0
81.07520	1.5
83.04986	13.9
83.08616	4.0
85.06544	2.8
91.05482	10.9
93.07040	8.3
95.04965	3.3
95.08619	14.3
97.06539	1.5
97.10169	1.1
98.24100	0.6
98.98473	100.0
99.04449	1.3
105.07034	9.2
107.08606	14.6
109.06529	8.2
109.10161	58.4
111.08125	3.3
116.99528	1.9
117.07008	1.2
119.08595	12.6
121.10151	7.9
123.08073	11.4
123.11729	5.6
125.09641	0.9
133.10136	20.5
135.11699	29.6
137.09628	9.5
137.13293	1.0
138.10396	1.4
139.11183	2.3
140.01054	0.9
143.08493	1.1
147.11752	0.8
149.09607	0.9
149.13248	1.9
151.07605	1.0
151.11183	12.5
151.14850	5.9
155.08533	0.9
161.09627	1.4
165.06927	0.7
165.12793	0.8
165.16397	1.0
169.12262	1.2
171.11652	0.8
174.99236	1.1
175.14839	8.6
176.98956	1.3
179.14337	6.1
183.11734	0.9
186.41635	0.7
188.74283	0.7
193.12225	2.5
193.15897	31.4
207.13707	1.1
208.36725	0.7
225.14836	0.9
235.17029	1.0
253.08647	1.7
253.14322	29.4
253.17961	1.3
258.10684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03939	2.6
55.01872	9.0
55.05513	8.7
57.03436	4.2
57.07068	1.1
65.03918	0.9
67.05506	37.1
69.03434	3.9
69.06723	0.6
69.07072	9.4
70.82760	0.8
70.83106	1.3
71.05000	4.3
73.02951	0.6
79.05492	16.1
81.03426	4.3
81.07059	32.4
83.04987	7.5
83.08602	3.3
85.02914	0.8
85.06551	4.5
91.05484	29.3
93.07047	12.1
95.04978	5.1
95.08607	6.5
97.02897	0.6
97.06528	3.6
98.20869	0.8
98.98470	38.1
99.04453	2.2
101.06027	0.9
101.58527	0.6
105.07035	23.7
106.15520	0.6
107.04938	1.2
107.08599	22.5
109.06537	3.5
109.10157	42.0
111.08109	0.6
113.05987	1.8
117.07043	1.0
119.08581	2.7
121.10156	1.7
123.08089	1.2
123.11716	8.1
127.07545	2.7
128.06265	1.0
128.80731	0.6
131.08563	2.3
133.10133	48.2
134.10463	0.6
143.08543	2.0
147.11676	0.9
151.11195	25.1
153.06918	0.7
161.09616	2.5
165.07068	1.9
169.12222	4.1
171.80876	0.5
179.10649	1.3
182.07338	1.1
183.11682	1.4
193.06442	1.1
197.11691	0.8
210.06676	1.0
215.12675	1.0
217.15822	0.9
221.06017	1.7
225.09134	1.0
235.16895	1.5
238.06209	1.0
239.48486	0.8
253.08881	5.3
253.14355	100.0
253.19421	2.9
254.14821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30892	0.3
69.66250	0.8
69.66662	1.9
79.05515	0.4
80.05748	0.3
81.07073	0.8
82.15608	0.3
84.08179	0.3
87.00835	2.8
90.95342	0.4
91.05473	0.9
91.32750	0.4
93.07058	1.0
95.04957	0.4
98.21128	1.2
98.98466	7.2
103.05472	6.4
107.05007	0.5
111.16111	0.4
118.06543	9.9
118.74841	0.4
119.03545	1.0
120.08110	100.0
121.08469	0.5
121.10151	0.4
128.04968	1.5
136.06190	25.8
139.64342	0.3
139.86819	0.4
141.63437	0.4
146.06009	17.5
161.06032	0.4
162.04457	0.4
166.08649	2.2
188.07076	17.5
192.06575	1.3
206.08130	58.2
207.08511	0.5
212.52336	0.5
234.07661	1.0
234.13464	3.7
252.14558	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	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03942	1.6
55.01861	2.0
55.05516	4.3
56.96563	12.2
57.03443	4.1
57.07062	2.2
58.99850	0.9
61.02934	3.6
67.05493	2.2
69.03430	10.4
69.07044	1.3
70.06583	3.0
71.01337	1.0
71.04993	1.2
71.56617	1.2
73.02927	4.6
73.06548	13.4
79.01859	7.5
79.05487	1.7
81.03422	5.1
81.04540	1.1
81.07059	2.8
83.04974	1.9
84.04478	0.9
84.96049	1.6
85.02905	32.7
85.06547	0.9
87.04480	1.0
91.03967	1.7
91.05483	1.6
95.04942	1.1
95.08608	1.8
97.02896	12.6
98.97588	16.4
98.98461	100.0
99.04441	1.7
100.98917	1.0
101.00883	2.2
102.00954	1.0
102.01619	0.8
103.05447	0.8
103.69150	0.7
104.55391	0.7
107.01289	1.0
109.02877	6.1
109.10183	1.4
110.07172	7.2
110.97557	1.6
112.99159	1.4
115.03896	1.1
116.98617	9.0
116.99502	2.4
119.01937	7.3
120.01999	1.9
120.52654	0.8
121.01649	2.6
121.10184	0.9
123.04463	1.9
125.02364	3.6
127.03899	7.0
128.98605	2.2
131.00194	2.1
131.01878	4.4
134.99666	3.1
136.07571	1.1
141.05467	1.1
143.00179	1.5
143.01958	2.7
143.03403	6.4
145.03496	2.5
145.04955	6.6
146.99654	2.2
147.04272	0.9
149.01219	2.4
150.05515	2.4
153.01830	74.4
153.02879	3.5
154.02173	5.6
154.94171	0.9
155.01978	1.9
156.07674	2.6
157.03445	1.8
158.99609	3.2
159.03186	0.8
161.01219	1.9
161.02951	1.7
163.02725	0.9
163.06056	1.0
168.98109	1.5
170.99675	2.1
172.95235	1.5
173.01379	1.5
173.02998	2.2
174.99185	1.5
176.98837	1.5
177.00700	3.1
177.06702	0.8
184.04681	0.8
185.01271	1.6
185.02968	2.2
186.99179	2.1
190.01117	2.7
197.11708	1.9
202.01044	2.1
202.05637	1.1
203.02260	2.3
205.03673	1.1
207.11395	1.3
209.03352	2.1
211.00819	7.3
217.01704	2.1
219.01767	3.5
223.01746	1.1
229.00124	2.4
229.01999	1.3
230.08890	1.1
232.02170	1.7
233.07222	1.2
235.12003	1.1
237.02788	4.2
248.03229	1.5
248.99197	1.1
253.02023	2.0
253.04692	5.6
253.08444	1.7
253.12158	2.7
257.00928	2.1
262.05222	3.6
271.02826	1.4
273.55878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	1.6
55.05510	7.2
57.03438	0.8
57.07067	2.0
58.27442	0.6
59.05002	1.5
64.18353	0.7
65.03944	0.7
67.05168	1.1
67.05505	14.0
69.03445	3.8
69.07070	9.3
69.64977	1.2
69.65395	3.1
71.04996	5.1
76.68663	0.8
77.30592	0.7
79.05495	14.6
81.03407	1.4
81.07059	38.5
83.04991	5.4
83.08618	3.4
85.06548	4.5
90.69212	0.8
91.05484	15.8
93.06463	1.4
93.07047	28.2
95.04981	5.4
95.08608	24.6
97.06542	4.9
97.10171	2.2
98.21270	1.5
98.98469	100.0
99.04488	1.2
99.08087	2.0
103.05469	0.9
105.07036	21.3
107.04977	2.2
107.07869	1.1
107.08595	19.0
108.57439	0.7
109.05831	0.8
109.06491	4.0
109.10163	12.1
111.04479	1.4
111.08086	3.4
111.11729	0.9
113.05979	1.5
113.09628	0.8
115.05469	2.0
116.06271	0.9
116.99522	1.8
117.07037	5.5
119.08582	15.3
119.09359	1.3
121.06525	2.2
121.10151	18.1
123.08087	2.1
123.11703	7.0
125.06013	3.6
125.09615	1.6
129.07034	1.3
130.07771	1.2
131.04915	1.4
131.08566	10.2
133.06499	2.0
133.10146	11.9
135.08078	2.1
135.11691	8.1
137.09637	2.7
137.13297	1.4
139.07564	0.9
139.11197	2.0
143.08501	1.3
144.09361	1.5
145.06563	0.9
145.10129	14.3
147.08116	1.5
147.11684	8.3
149.09627	2.1
149.13239	3.7
151.07532	1.1
151.11203	1.6
153.01788	1.3
157.10107	1.0
159.11693	16.2
161.05994	2.4
161.13251	2.6
163.07553	3.2
163.11208	2.7
163.14828	1.8
165.06979	1.5
165.12816	1.6
167.07048	1.0
173.06049	1.0
173.09650	2.3
173.13303	6.2
174.99187	3.7
175.07674	0.9
175.14877	2.0
177.05536	0.7
177.12761	1.9
178.07693	0.8
178.16208	0.7
181.10191	1.1
181.12189	1.1
187.11171	2.6
187.14804	3.6
189.16414	5.1
191.07008	1.4
191.08701	1.4
191.10716	2.7
191.14326	1.3
191.17833	0.9
193.06964	0.9
193.08618	2.5
195.11716	1.4
205.05025	1.9
205.08624	1.6
205.12201	1.4
205.15910	1.8
207.11720	1.0
208.05310	1.1
209.08006	1.0
209.13359	1.4
215.10730	2.0
215.14352	1.4
215.17957	10.4
221.13402	1.0
233.08099	1.2
233.11748	3.4
233.15413	3.2
233.19006	6.4
236.04956	0.9
251.05302	2.6
251.09152	1.7
251.12758	3.9
251.16258	3.0
251.17943	3.1
251.20099	17.3
252.12456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03930	2.5
55.01860	2.2
55.05289	0.9
55.05511	8.0
55.96432	0.8
57.03432	2.3
57.07079	26.4
67.05172	1.6
67.05508	28.1
69.03455	0.9
69.06766	0.9
69.07071	9.0
69.78788	3.5
71.04985	1.3
71.08636	25.6
79.05067	1.1
79.05500	19.4
79.90030	0.8
81.03423	4.6
81.03805	0.8
81.07061	30.5
83.04971	3.4
83.08605	3.9
85.06504	2.0
85.10187	77.3
89.69944	0.8
91.05492	8.6
93.07048	20.6
95.04955	5.3
95.08611	28.5
97.06507	1.6
97.10143	1.8
98.20798	1.2
98.21354	2.1
98.98473	100.0
99.08098	25.9
105.07040	5.3
106.83416	0.9
107.08614	9.6
109.06501	1.7
109.10170	10.2
111.08082	1.8
113.09651	96.5
116.99522	2.3
117.07024	2.5
117.09119	2.5
119.08572	4.8
121.06462	1.3
121.10147	19.8
123.08086	6.6
123.11713	3.7
127.03932	1.2
127.47803	0.9
131.08585	3.4
132.92171	0.9
133.10130	4.3
135.08051	1.0
135.11702	19.9
137.09602	3.5
139.11203	7.6
140.01094	1.2
141.12717	2.4
145.10135	3.5
149.09604	2.8
149.13264	1.7
151.11206	2.1
153.01788	1.9
153.12756	2.9
155.10669	9.3
159.71313	0.8
163.07550	1.8
163.11203	1.7
165.12784	9.6
167.14397	1.5
169.12250	1.1
173.13156	1.0
174.99222	3.8
178.86736	0.9
181.04974	1.4
191.14336	1.3
191.18057	1.3
205.19507	4.7
215.17958	2.8
233.11755	1.0
233.18999	11.6
251.04677	0.8
251.12880	1.5
251.20084	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	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05511	3.8
55.80813	0.2
57.03434	0.3
57.07080	0.7
58.35555	0.3
65.03941	0.3
67.01864	1.1
67.05509	2.0
68.99794	0.8
69.03429	2.0
69.07069	1.1
71.04984	1.0
72.02228	0.2
77.01597	0.3
79.05482	1.4
81.03409	0.3
81.07056	3.6
83.01334	0.5
83.04978	1.1
83.08611	2.0
85.02882	0.3
85.06516	0.4
91.05471	1.2
93.07033	2.4
95.04945	1.2
95.08610	2.5
97.02882	0.8
97.06520	0.6
97.10167	1.6
97.82213	0.2
98.21356	1.3
98.98464	67.0
99.04446	0.6
99.08081	0.3
103.05428	0.4
105.07028	1.9
107.04948	0.6
107.08604	2.4
109.06522	1.2
109.10143	1.2
111.00801	0.6
111.04462	0.8
111.08094	0.6
115.05463	0.3
116.99500	2.1
117.07000	1.0
119.08584	1.5
120.47073	0.3
121.06501	0.9
121.10134	2.2
123.04460	0.5
123.08076	0.6
123.11695	0.5
125.02364	0.3
125.05978	0.7
125.09619	1.5
127.03930	1.3
131.08559	0.9
133.06453	0.4
133.10133	0.8
135.08026	1.0
135.11641	1.2
137.05949	0.4
139.03903	4.8
140.00995	0.6
145.10085	1.1
147.11668	0.7
149.05980	0.6
149.09586	0.8
149.13271	0.6
151.03813	0.3
151.07515	0.4
153.01825	100.0
154.02132	0.6
155.03374	0.3
159.11696	0.7
161.05956	0.6
163.03885	0.5
163.07549	1.3
163.11232	0.6
165.05438	0.3
167.03375	0.5
167.07059	0.7
167.10744	0.5
169.04999	0.5
171.02902	0.3
173.09633	1.0
173.13251	0.4
174.99269	1.7
177.05482	0.9
177.09085	0.5
177.12747	0.4
181.04951	1.8
181.12155	0.3
187.11223	0.8
191.07019	0.7
191.10666	0.8
191.14322	0.4
191.17891	0.3
193.08598	0.8
195.06503	0.3
195.08101	0.3
205.08655	0.6
205.12242	0.5
205.15875	0.4
215.10698	0.6
233.07999	0.3
233.11717	2.5
233.15309	0.8
233.19038	0.6
242.82118	0.3
251.05270	0.9
251.12762	23.5
251.16466	1.6
251.19952	1.2
256.40326	0.4
269.12286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03948	1.2
55.01835	0.6
55.05502	0.7
58.34875	0.6
59.05003	17.4
65.03915	0.8
67.05502	1.9
69.07072	3.2
78.04710	1.9
79.05495	10.9
81.07032	2.9
87.51760	0.6
91.05473	6.5
93.07034	2.9
93.79838	0.8
95.04942	2.6
95.08589	2.7
97.06488	0.9
98.20813	0.7
98.98467	62.0
103.05467	1.0
105.07028	9.1
106.04187	1.3
107.04954	29.5
107.08588	2.7
109.06494	1.2
115.05439	7.2
116.99519	1.0
117.07011	6.2
119.08572	2.9
120.27151	0.7
121.06490	2.9
121.10174	1.2
122.03600	1.3
123.04430	4.7
123.08120	0.8
124.05234	4.3
125.05983	2.9
128.06198	3.2
129.07018	4.2
130.07791	6.9
131.04904	1.2
131.08533	3.4
132.05717	1.9
133.06465	3.8
135.04384	0.8
135.08043	1.6
135.11681	1.6
137.05983	1.1
140.04659	1.0
141.06978	1.2
143.04892	2.4
143.08545	11.8
144.05652	1.7
145.06483	6.2
145.09027	1.1
145.10132	20.3
146.03629	3.5
146.07190	1.2
147.08087	4.4
149.05969	1.4
151.03958	1.0
152.04655	3.8
155.07266	1.0
155.08549	5.0
157.06447	1.3
158.07265	21.7
159.08073	3.9
160.05179	5.1
161.05989	6.8
161.09636	0.9
163.03931	1.5
163.07573	2.1
163.11148	2.5
167.07040	100.0
168.07396	1.3
171.08018	1.5
173.09630	36.6
174.06793	1.4
174.99258	1.7
175.07553	13.0
177.05524	3.3
177.09091	2.8
178.06235	15.5
180.04198	0.7
181.04970	6.1
181.08577	6.7
183.09178	2.2
186.06764	3.7
187.07578	0.8
189.09154	1.9
190.09871	1.9
191.10699	5.8
192.07817	20.7
193.08615	9.8
193.12263	1.1
195.06549	4.2
201.09105	55.0
206.09334	0.7
207.06557	1.5
207.10191	10.4
208.07266	1.1
209.07985	1.0
218.09340	2.9
219.10152	11.9
223.13248	2.4
233.11717	21.8
233.15440	2.6
236.10426	2.9
251.12790	60.0
251.16669	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01877	7.7
55.05508	1.8
57.03419	0.6
57.07076	0.8
59.05005	0.5
64.74432	0.5
65.03929	0.8
67.05498	3.2
68.99773	0.6
69.03425	1.0
69.07072	2.1
69.91903	1.1
69.92299	1.0
71.04990	6.5
77.03944	0.5
79.05500	4.4
81.03418	0.6
81.07056	5.8
83.04977	2.3
85.02880	0.7
85.06520	0.7
89.03930	1.1
91.05482	12.3
93.07045	11.0
95.04958	5.1
95.08601	4.8
97.06537	1.7
98.20889	0.8
98.21404	0.7
98.98468	100.0
99.04467	2.5
103.05466	10.6
105.04496	0.6
105.07021	4.7
106.04173	3.0
107.04973	2.5
107.08595	5.1
109.06535	1.2
109.10163	3.9
111.04443	1.1
111.08051	0.6
115.05488	1.2
116.99512	2.3
117.03391	1.8
117.07037	1.7
119.04946	1.4
119.08591	2.3
120.05757	0.6
121.06508	19.1
121.10155	3.1
123.08064	1.0
123.11703	1.4
125.05995	2.5
125.09704	0.6
126.44725	0.5
131.04939	4.2
131.05881	0.7
131.08591	2.9
133.06508	1.7
133.10132	3.0
134.03627	4.2
135.04474	0.6
135.08035	1.7
135.11713	1.9
137.06012	1.1
139.03888	0.7
139.07608	0.5
140.01060	1.0
145.02847	2.2
145.06487	2.3
145.10135	3.7
147.04411	0.9
147.08060	0.9
147.11684	1.1
148.05209	2.4
149.05988	23.7
149.09636	1.8
149.13248	0.9
151.03868	0.9
151.07567	1.1
153.05496	1.2
157.10136	0.6
158.07297	0.8
159.04387	0.7
159.11691	1.3
161.06021	1.5
161.09608	0.6
163.07539	4.1
163.11214	3.3
163.14804	0.6
164.04811	0.5
165.05518	0.8
167.03412	1.0
167.07100	1.3
173.05974	1.2
173.09634	2.2
173.13318	1.7
174.99229	3.4
175.11218	0.6
176.04735	1.8
177.05475	13.0
180.07802	0.9
181.05066	1.1
181.08607	21.1
181.12212	1.7
187.11253	0.9
189.05415	0.8
189.12897	0.5
191.07024	8.6
191.10690	1.9
191.14340	1.4
191.17944	0.6
193.05063	0.8
193.08575	2.4
201.09096	0.7
205.08618	2.2
205.12315	0.5
205.15929	0.9
207.06404	0.7
209.08099	27.4
215.10716	1.1
215.14287	1.0
215.17973	0.6
221.08113	0.9
221.11900	0.7
223.11328	0.5
233.08160	1.5
233.11819	2.1
233.15355	3.6
233.19107	0.7
251.06960	1.0
251.08968	0.9
251.12579	3.6
251.16254	6.5
251.20154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03935	5.4
55.01876	17.1
55.05512	25.6
57.03440	70.2
57.07075	5.0
57.40199	2.0
59.04998	3.3
65.03930	5.7
65.45570	1.8
67.05506	72.6
69.03404	8.6
69.07062	40.9
69.48552	15.2
71.04987	5.1
79.05494	56.6
81.07056	59.5
83.01335	6.0
83.04980	5.4
83.08627	26.3
85.06537	7.9
87.58424	2.2
91.04958	3.5
91.05479	45.7
93.06461	3.9
93.07037	53.3
95.04974	17.8
95.08607	98.9
97.06538	35.4
97.10155	5.8
98.21127	8.1
99.08089	26.4
105.04539	3.0
105.07019	30.8
106.01072	2.1
107.04910	4.2
107.08589	33.8
109.06520	14.5
109.10155	28.8
111.04443	2.6
111.08079	9.5
113.09670	5.4
115.05442	4.0
115.07565	3.2
117.07011	31.3
119.08572	29.7
121.06501	5.6
121.10153	18.5
123.08044	15.7
123.11710	5.2
125.02342	7.8
125.09631	7.3
127.07541	5.6
128.06252	2.9
129.06976	7.5
131.08577	27.7
133.06468	2.3
133.10126	34.0
135.08057	37.9
135.11702	23.2
137.06017	3.2
137.09619	32.0
139.11127	4.5
141.05435	6.0
142.07697	2.4
143.08545	9.8
145.10094	12.8
147.08061	4.5
147.11665	19.6
149.09657	12.4
149.13245	8.4
151.11169	6.7
153.05472	8.3
153.09116	6.8
153.12679	3.6
157.10136	13.2
159.11700	65.3
161.09604	7.3
161.13232	4.3
163.11113	2.5
165.09090	2.7
165.12671	3.0
167.03410	3.1
171.11716	11.1
173.13249	8.6
175.11185	9.6
175.14827	24.2
177.12764	26.6
179.10606	2.8
185.09482	2.5
185.13264	6.9
189.16403	4.8
193.10237	2.4
193.12192	7.5
193.15900	18.4
203.14333	6.9
203.17953	9.1
207.13757	2.3
213.16397	23.4
231.10052	3.1
231.13791	7.2
231.17442	38.2
249.07462	2.5
249.11168	4.6
249.14868	24.8
249.18497	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	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03942	4.7
55.01863	3.9
55.05510	21.7
57.03438	42.2
57.07065	2.2
59.04990	1.1
65.03931	2.7
67.05505	38.6
69.07069	18.7
71.05004	4.4
71.57861	1.6
73.06568	1.0
79.05494	78.0
81.03423	1.7
81.07058	50.7
83.04982	2.8
83.08619	15.5
85.06535	6.6
89.38465	0.9
91.04904	1.0
91.05482	40.9
93.07047	93.0
95.04971	9.3
95.08607	65.0
97.06509	4.9
97.10139	2.3
99.08084	14.2
105.04525	1.5
105.07031	28.8
107.04947	3.5
107.08596	48.2
109.06528	9.2
109.10150	12.1
111.08061	4.2
113.05984	2.2
115.05405	1.5
115.07558	1.7
117.07018	18.8
119.07787	1.8
119.08582	26.0
121.06506	3.0
121.10143	43.8
123.04462	1.2
123.08054	9.7
123.11670	1.7
125.09624	3.2
127.07549	3.7
128.06197	1.1
129.07008	5.1
131.08572	17.1
133.10133	27.2
135.08057	22.1
135.11694	31.0
137.05974	1.7
137.09622	14.5
139.03851	2.7
139.11177	2.4
141.05478	1.9
141.09129	1.2
143.08559	6.5
145.10123	8.1
147.08035	1.1
147.11694	20.3
149.09624	7.7
149.13249	8.9
151.11179	3.0
153.01848	7.1
153.09132	1.9
155.10716	1.2
157.10150	8.3
159.11688	37.0
161.09599	3.2
161.13240	2.1
163.11208	2.2
165.05484	1.0
165.12729	2.1
167.10555	1.1
171.11667	8.8
173.13214	6.4
175.11212	7.4
175.14832	13.2
177.12744	13.7
179.10667	2.2
181.12231	1.3
185.13243	2.8
187.14822	1.8
189.12770	3.0
189.16365	5.9
193.12289	4.5
193.15904	7.0
199.79163	1.3
203.14357	2.2
203.17975	5.4
205.04961	3.7
207.13821	3.0
213.16389	16.3
231.13873	1.1
231.17445	22.5
249.07518	3.1
249.11182	2.6
249.14577	2.9
249.18500	100.0
250.18777	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.32297	1.1
52.99990	1.3
53.03938	5.2
53.64502	1.3
55.01866	5.5
55.05515	17.3
57.03440	100.0
57.07058	1.9
59.05000	1.8
65.03934	3.1
67.05506	46.6
69.03427	1.5
69.07060	10.9
71.05000	3.4
77.03886	1.2
79.05497	58.8
81.03421	2.5
81.06573	2.1
81.07063	56.1
83.08619	18.6
85.06558	9.7
91.05481	43.0
93.07049	60.0
95.04988	10.3
95.08611	94.3
96.64942	1.2
97.06536	8.6
97.10199	4.0
98.20924	7.9
99.08096	32.2
105.06369	2.4
105.07033	29.3
107.04961	5.3
107.08601	33.6
109.06505	16.9
109.10148	17.5
111.08092	9.6
113.06013	2.9
113.09644	2.6
115.05440	3.4
115.07549	3.5
117.07014	35.4
119.08585	30.4
121.06480	3.6
121.10152	19.8
123.08080	17.2
123.11678	2.4
125.09624	6.1
127.07565	9.4
129.06995	7.7
131.07581	1.6
131.08578	30.5
133.10138	30.3
135.08055	40.3
135.11714	13.3
137.09618	25.7
137.13182	1.8
139.07516	1.5
139.11180	2.9
141.09109	2.4
143.08560	8.3
144.09349	1.9
145.10126	8.0
147.11690	23.6
149.09625	10.0
149.13277	9.1
151.11176	5.8
153.09099	3.9
157.10173	11.6
159.11707	81.5
161.09630	5.9
161.13263	4.0
163.11127	1.6
165.12738	2.2
167.10648	1.7
171.11685	8.1
173.13266	16.5
175.11238	9.4
175.14838	35.7
177.12773	33.3
184.12561	1.2
185.13258	5.1
193.06459	1.5
193.12193	1.8
193.15886	19.9
200.26424	1.3
203.14392	1.7
203.17993	28.1
205.19611	1.7
213.16389	28.7
229.24992	1.9
231.17451	34.8
249.18512	93.5
264.00171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03949	2.0
55.01857	4.2
55.05513	16.4
57.03436	90.3
65.03920	2.1
67.05502	49.7
69.03423	2.3
69.07070	13.4
70.20434	5.4
71.04984	3.7
79.05492	46.1
81.03412	2.5
81.07055	53.6
83.08619	16.3
83.52264	1.6
85.06537	9.5
91.05479	40.6
93.07040	44.9
95.04969	11.6
95.08605	95.2
97.06509	6.5
97.10121	2.8
98.21329	2.5
99.08086	29.1
99.08668	3.0
105.07032	27.9
105.18945	1.7
107.04932	4.4
107.08604	24.5
109.06511	17.0
109.10157	16.3
110.00108	1.5
111.08070	7.3
113.06008	1.6
113.09657	3.3
115.05453	2.8
115.07572	4.2
117.07017	38.4
118.08854	1.7
118.95203	1.5
119.08588	22.8
121.01617	1.7
121.06500	3.3
121.10165	13.1
123.08091	12.5
123.11725	3.7
125.09618	5.8
127.07557	8.8
128.30812	1.4
129.06985	7.1
131.08553	30.1
133.10135	26.0
135.08055	41.5
135.11717	9.9
135.12651	2.0
137.05940	2.8
137.09604	25.1
137.13286	2.1
139.11160	3.9
141.05461	2.2
141.09111	3.2
143.08540	8.4
145.10127	9.8
147.11688	18.5
149.09601	7.3
149.13251	7.6
151.11157	4.8
153.09053	2.5
157.10135	9.4
159.11693	71.1
161.09625	3.5
161.13289	2.2
163.11174	3.6
165.12747	3.0
171.11691	7.5
173.13287	12.8
175.11261	8.2
175.14822	33.0
177.12727	32.6
185.13269	5.2
193.12312	2.2
193.15854	14.0
203.14259	2.0
203.18027	10.5
213.16397	21.4
229.07407	1.8
231.10188	1.7
231.17432	35.3
249.07472	1.6
249.11076	2.3
249.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1598
Annotation	Pindolol
Peak:m/z	Relative Intensity
55.01858	0.6
55.05489	0.5
57.03422	0.5
57.07068	1.1
59.05001	1.1
65.03930	0.7
67.05502	1.3
69.03419	1.4
69.07062	0.6
69.96506	1.0
69.96916	1.3
73.45447	0.4
79.05495	1.7
81.03419	2.3
81.07046	1.3
83.04987	0.8
85.02901	1.4
91.05487	2.3
93.07026	1.3
95.04955	1.4
95.08610	1.1
97.02890	0.8
97.06549	0.4
98.20831	0.8
98.21379	0.9
99.04430	0.7
103.05464	1.3
105.03426	1.9
105.07040	2.8
107.04948	1.2
107.08628	0.9
109.02857	0.6
109.06525	1.1
109.10155	0.8
111.04444	2.3
115.05489	2.4
116.06249	1.0
117.07016	1.3
119.04951	1.0
119.08576	1.7
119.70850	0.4
121.06490	0.7
121.10194	0.4
123.04503	0.7
125.02383	0.6
125.06120	0.4
125.63329	0.4
127.03978	0.8
128.06238	1.8
129.07010	4.2
131.04924	1.4
131.08572	3.6
132.15192	0.4
133.06490	1.6
133.07545	0.4
133.10129	1.7
137.06021	1.0
139.03888	1.7
141.06972	1.8
142.07765	0.8
143.04941	1.0
143.08569	1.3
144.05734	1.7
145.06479	1.8
145.10130	1.2
146.07281	0.7
146.08360	0.5
147.04446	2.3
147.08118	0.7
149.09665	0.7
151.03894	1.0
153.01918	2.0
153.02959	0.6
155.06055	0.4
157.06483	1.4
157.10161	0.9
159.04472	1.1
159.08055	4.5
159.09230	1.8
159.11752	0.4
161.05992	1.7
161.09602	2.1
161.10773	0.5
167.03368	1.0
170.07265	1.5
171.04349	0.8
171.08028	1.2
171.11743	0.6
173.06009	1.1
173.10782	6.4
174.06816	1.0
174.11542	43.2
175.03923	0.6
175.07578	1.6
175.12340	7.5
176.13084	3.0
177.05502	1.7
179.03459	0.8
185.13332	1.1
187.07509	2.9
187.12328	3.0
188.13091	3.9
189.05460	1.2
189.09158	1.8
189.13861	1.1
191.07056	1.7
193.04993	0.7
199.07614	0.7
203.07028	1.9
203.15463	53.8
204.07860	2.5
205.08578	1.0
205.17041	1.5
207.02910	2.7
207.06546	0.8
213.12769	1.2
216.07811	0.7
216.12625	2.3
217.04985	0.5
217.08656	0.5
217.13289	0.7
219.10172	0.5
221.08034	0.5
221.11661	0.9
231.06534	1.3
231.10152	1.6
231.14989	40.7
232.15311	0.5
249.03981	3.4
249.07588	5.7
249.11275	15.6
249.16010	100.0
250.07556	0.5
250.16402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
50.45601	0.5
53.03938	2.2
55.01863	1.1
55.05497	2.5
57.07066	2.1
63.20537	0.5
65.03938	1.0
65.61012	0.5
67.01870	6.7
67.05172	1.2
67.05507	15.6
68.99789	0.8
69.03069	0.9
69.03431	13.8
69.07053	2.5
69.86865	1.3
69.87282	1.9
71.04998	1.2
79.05498	5.3
81.03412	0.7
81.07068	7.8
83.04983	7.6
83.08616	1.9
91.05484	21.8
92.33852	0.7
93.07040	8.2
95.04970	18.8
95.08598	5.6
97.02902	1.0
97.06528	1.3
98.20905	1.0
98.21416	0.7
99.04467	0.6
103.05461	1.8
105.07032	8.8
107.04950	2.0
107.08598	7.9
109.02892	4.4
109.06524	3.6
109.09515	0.9
109.10165	5.6
110.07295	1.2
111.04449	5.7
111.08078	2.3
113.06004	1.0
115.05486	2.1
116.06226	3.7
117.07011	4.2
119.04973	2.8
119.08584	31.6
121.06496	5.4
121.10132	3.9
122.07284	0.6
123.04446	0.9
123.08069	2.6
123.11671	0.6
125.06003	1.1
128.06235	1.8
129.06999	5.6
130.07840	0.8
131.04897	1.0
131.08591	5.1
132.05753	1.3
133.06487	3.5
133.10133	5.3
135.08041	6.4
135.11674	1.8
137.05975	2.5
137.09608	7.2
139.07565	1.3
141.06999	1.2
142.07803	1.1
143.08577	2.5
144.05678	1.0
145.06514	1.5
145.10146	2.1
147.08049	100.0
147.11748	2.9
148.08443	0.9
149.09644	3.5
151.07568	0.6
155.08551	0.9
156.09344	1.2
157.06538	0.9
157.10152	1.9
159.08041	3.0
159.11734	1.5
160.08806	0.6
161.05957	1.7
161.09622	5.7
161.13252	3.9
163.07559	0.9
165.05382	0.9
165.09119	1.9
170.10896	1.7
171.08006	0.6
171.11649	3.3
173.09631	0.8
173.13280	0.7
174.10400	1.0
175.06029	1.0
175.07549	16.3
175.08995	1.0
175.11163	1.3
175.14870	1.4
180.09424	1.0
185.06017	0.7
185.13255	4.1
187.07542	1.8
187.11266	0.9
187.14812	0.7
189.09103	3.5
189.12762	8.8
189.16461	0.8
195.11676	1.0
203.10677	1.2
203.14326	6.5
204.07864	1.3
213.12766	5.9
213.16333	0.7
231.06453	0.8
231.10208	1.3
231.13799	18.8
231.17372	1.3
249.07492	1.4
249.09019	1.0
249.11203	7.7
249.14822	9.4
249.18570	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	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01866	0.6
55.18954	0.4
57.45470	0.3
59.04993	0.3
63.00350	0.3
65.02138	0.4
67.05492	0.7
69.03440	1.8
69.25449	2.1
69.25875	1.5
79.05490	1.3
81.03427	0.7
81.07050	1.1
83.04989	0.6
85.02902	0.9
91.05479	8.0
93.07053	0.8
94.02920	0.4
95.04985	0.8
95.08605	0.7
97.02885	0.8
98.21486	0.9
103.05450	1.0
105.03420	0.5
105.07026	3.1
107.04979	2.2
107.08610	0.5
109.06496	0.5
110.05974	0.4
111.04455	0.6
115.05449	5.9
116.06239	3.7
117.07027	3.6
117.07793	0.6
118.04186	0.3
119.04943	0.6
119.08578	1.1
121.06528	1.0
121.10068	0.3
121.28676	0.4
123.04417	0.4
123.08052	0.5
127.03884	0.6
128.06221	9.3
129.07007	19.2
130.07799	0.9
131.04951	2.2
131.08571	16.3
132.05684	1.3
133.06514	3.5
133.10110	2.2
135.08086	0.5
139.05415	0.8
141.06978	10.1
142.07773	4.9
143.04921	0.6
143.08578	3.7
144.05702	10.6
145.06511	5.6
146.07289	3.5
147.04425	1.8
147.08047	0.9
149.09639	0.5
152.06201	1.2
153.05801	0.5
153.06978	2.5
155.04887	0.6
155.06038	1.6
156.05646	2.1
157.06487	9.2
158.07280	2.7
159.04446	0.9
159.08052	29.5
160.05194	1.4
161.05992	3.8
161.09624	6.9
167.04897	0.5
167.07039	1.1
169.06323	1.9
169.07755	2.2
170.07275	8.7
171.04367	1.6
171.08046	7.1
171.11784	0.5
172.05226	3.0
173.06001	4.6
174.06801	2.8
174.11528	0.4
175.07510	2.8
177.05403	0.7
178.06247	0.9
181.06393	0.7
184.05190	0.6
185.05899	0.9
186.06833	0.8
187.07550	17.8
188.08264	1.2
189.05502	3.9
189.09109	8.9
189.10730	0.7
189.12703	0.6
190.06200	1.1
191.07031	1.5
191.14284	0.4
192.07796	0.6
193.08615	0.8
198.06821	2.0
199.07510	3.2
201.05507	2.3
203.07048	6.4
203.15468	1.3
204.07823	13.6
205.08635	1.9
206.09433	1.2
207.02890	1.5
215.06999	0.4
216.07851	3.3
217.08647	1.3
218.09396	1.5
219.10266	2.0
221.08121	0.7
221.11703	3.5
231.10170	6.7
231.13730	0.7
231.14946	0.7
234.08867	1.0
249.11226	100.0
250.11554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Sohirnone B
Peak:m/z	Relative Intensity
52.03888	0.4
53.03940	1.1
55.01869	1.2
55.05505	0.9
59.31628	0.5
65.03931	2.0
67.05167	0.7
67.05507	12.3
67.64014	0.4
68.99785	3.7
69.03432	6.0
69.07096	0.5
69.51003	2.2
71.04985	1.1
71.59917	0.4
77.88929	0.5
79.05496	6.9
81.03439	0.9
81.07059	14.5
83.04977	0.7
85.06553	0.6
91.05489	2.9
93.07026	1.2
95.04975	3.5
95.08611	0.9
97.02904	0.5
97.06503	0.5
98.21471	0.9
105.07025	1.5
107.04939	2.4
109.06519	9.1
111.04450	1.6
117.77644	0.4
119.08589	0.8
121.06532	0.5
121.10136	0.6
123.04451	3.6
124.01572	2.2
125.05974	1.1
128.06255	0.6
131.08527	0.5
133.06541	0.6
135.08034	1.2
137.05991	5.1
139.03873	2.3
141.05463	11.6
143.08669	0.6
147.04381	0.6
151.03896	0.4
151.07550	1.9
152.01051	3.7
153.05464	50.6
161.09663	0.7
163.03807	0.5
163.07549	4.0
165.05470	7.6
167.03400	100.0
167.07120	1.7
168.03870	0.6
170.02115	3.2
171.07967	0.6
174.06693	0.8
175.07590	1.1
177.05490	3.8
179.07040	5.9
181.04922	1.0
189.09108	0.7
190.06181	0.6
191.07028	9.6
193.04935	0.5
195.06471	0.8
198.06750	0.4
199.07594	1.1
201.05457	0.7
203.06995	0.7
203.10643	2.7
205.08598	1.6
207.10168	3.4
216.07858	1.3
217.08626	0.7
231.08356	0.3
231.10161	13.5
249.11220	27.2
249.18460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03935	5.8
55.01854	4.1
55.05513	10.0
56.21912	1.4
57.03417	1.6
57.07057	5.0
59.05011	2.1
61.93503	1.3
62.36713	1.2
65.03931	3.5
65.09614	1.4
67.01855	5.2
67.05507	22.6
67.07977	1.4
69.03072	2.3
69.03429	43.0
69.07057	4.6
70.06174	6.2
70.06537	2.5
70.60775	1.3
71.05000	3.4
79.05493	20.4
81.03394	2.8
81.07053	35.5
82.23941	1.5
83.04984	23.1
83.08610	5.8
85.02897	4.7
85.06546	2.2
91.05482	50.8
93.03442	1.5
93.07040	54.5
95.04966	24.4
95.08046	2.4
95.08603	24.5
97.02876	1.9
97.06516	6.3
98.20805	2.5
98.21373	2.9
100.34921	1.3
103.05448	4.8
105.04455	2.0
105.06374	2.5
105.07030	28.5
107.04945	4.2
107.08601	28.9
109.02901	8.0
109.06527	24.6
109.10162	9.8
110.07262	8.2
111.04418	3.5
111.08092	18.8
112.67126	1.3
113.97724	1.3
115.05464	3.5
116.06239	2.3
117.07032	7.0
118.46409	1.3
119.04934	13.8
119.08580	62.5
121.06492	17.3
121.10136	15.7
122.07258	3.8
123.08079	6.8
125.09637	3.1
128.06210	6.3
129.06978	11.6
130.07732	1.7
131.08562	9.7
133.06494	11.4
133.10138	17.0
135.08058	13.6
135.11659	4.4
136.08698	1.4
136.99490	1.6
137.05969	10.1
137.09633	14.4
139.07574	3.7
141.06975	4.1
142.07715	1.8
143.08537	6.5
144.05609	2.4
145.06462	4.9
145.10124	6.8
146.07181	1.9
147.04399	5.0
147.08043	100.0
147.11705	8.1
149.05893	1.6
149.09648	7.1
149.13245	2.5
151.07480	1.8
151.11133	1.4
155.08560	1.9
156.09366	1.9
157.06465	3.0
157.10187	3.5
159.08038	6.5
159.11722	3.2
161.05954	5.6
161.09590	10.0
161.13260	13.3
163.11151	2.1
163.14841	2.6
165.05508	30.0
165.06859	2.4
167.03442	3.9
170.10934	2.7
171.08025	2.4
171.11702	4.1
173.09659	2.0
174.06747	2.0
175.07561	13.5
175.14796	9.5
177.32381	1.4
179.07042	7.8
185.09615	1.4
185.13254	5.9
187.07567	5.9
187.11351	1.6
189.05516	2.1
189.09151	6.9
189.12718	15.2
189.16333	2.4
193.08530	2.0
198.10425	1.5
203.14308	20.4
204.07861	3.3
213.12726	5.2
231.10182	4.1
231.13809	26.7
249.07515	2.6
249.11217	21.1
249.14845	86.8
249.18529	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	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52118	9.1
71.06996	24.1
71.07340	16.2
98.97533	14.7
99.46655	10.5
101.00887	15.8
119.01900	41.3
133.87927	10.9
144.26157	11.9
161.03001	15.4
189.02327	13.3
249.03723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
56.41739	0.4
56.96553	1.1
58.99866	0.9
70.67769	1.0
70.99859	1.2
77.00913	0.9
77.72694	0.3
82.99818	3.9
85.01408	0.7
89.00905	0.5
96.34370	0.3
97.02870	0.5
98.97572	0.9
101.00883	49.8
103.02448	1.4
105.00358	0.7
108.12941	0.3
113.00858	2.7
115.02426	1.4
116.98665	0.4
116.99526	0.4
119.01923	100.0
119.99367	0.3
120.02012	0.9
121.02424	0.4
121.03529	0.7
124.02418	0.5
124.55939	0.3
127.02444	1.7
131.01904	11.4
133.03470	1.4
137.02960	14.2
141.00319	1.0
142.03484	1.7
143.01900	20.3
145.03464	11.8
147.01369	1.6
149.02930	2.2
150.99133	0.8
155.01884	0.4
155.72748	0.4
157.03468	2.6
158.75092	0.4
159.01396	12.9
161.02960	50.4
162.03093	0.4
163.04520	1.4
165.02455	0.8
171.00035	0.7
171.01385	7.2
173.02960	4.1
175.04507	1.5
177.02457	17.5
179.04042	1.5
183.01512	0.7
184.04605	1.0
189.02448	46.5
191.04007	3.9
195.03502	0.7
201.02454	6.0
203.04044	1.3
207.03502	14.3
212.04053	0.4
219.03511	6.2
231.03497	2.3
249.04567	20.1
267.05649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01888	0.6
55.05502	1.7
57.07085	0.7
67.05498	3.0
69.03419	1.5
69.07060	2.4
71.56862	0.9
79.05484	3.8
81.03429	1.4
81.07061	5.7
81.73392	0.6
83.08616	0.7
85.06537	1.0
91.05477	11.3
93.07050	3.9
95.04977	2.0
95.08601	4.3
97.02863	0.7
97.06541	0.7
103.05470	1.6
105.03386	1.1
105.07033	9.8
107.04947	2.3
107.08602	3.1
109.06519	1.4
109.10146	3.0
111.08041	0.9
111.50756	0.5
115.05461	1.5
116.06236	1.9
117.07035	1.8
118.04144	3.2
119.04936	2.1
119.08595	4.6
121.06512	3.7
121.10140	2.4
123.08086	1.3
123.11698	1.3
125.06039	0.7
128.06223	4.6
129.07021	8.3
130.07742	1.1
131.04927	6.1
131.08559	4.7
132.05717	0.9
133.06485	1.5
133.10147	4.4
135.08076	1.3
135.11694	1.5
137.06010	0.7
137.09587	1.0
139.03943	0.5
141.07002	1.0
143.08553	1.0
144.05707	1.4
145.06473	2.4
145.10114	1.3
146.03659	1.4
146.07280	7.2
147.04337	0.7
147.08047	2.6
147.11673	1.9
148.05211	4.3
149.09628	1.5
149.13255	1.0
153.01883	1.3
154.98483	0.6
155.06027	0.7
156.09334	0.6
157.06532	2.8
157.10141	1.2
159.08035	2.9
161.05986	100.0
161.09616	36.3
161.13261	1.2
162.06302	0.7
170.67609	0.6
171.08064	1.1
171.11630	0.8
174.06807	2.4
175.11069	0.6
175.14751	0.6
185.13268	1.6
187.07677	0.8
189.09111	61.1
189.16484	0.9
203.06905	0.6
203.14326	1.1
207.13823	0.7
213.12857	0.8
221.11543	0.7
231.10150	0.7
231.13857	2.6
231.17383	0.6
234.06824	0.8
249.07350	1.3
249.09277	1.1
249.11200	6.1
249.14731	4.9
249.18550	4.1
249.22536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01864	0.5
57.03428	0.9
59.04991	1.1
67.05487	1.2
69.03429	2.3
69.07076	0.4
69.79736	2.1
77.84848	0.3
79.05484	1.2
81.03406	1.7
81.07038	1.0
85.02918	2.0
85.06512	0.5
90.59502	0.4
91.05482	7.9
93.07037	0.9
95.04969	1.1
95.08603	0.7
97.02884	2.1
98.21039	1.2
98.97626	0.4
103.05452	1.2
105.03383	0.9
105.07040	3.5
105.64705	0.4
107.04947	1.8
107.08559	0.4
109.02841	0.8
109.06492	0.6
109.10097	0.5
111.04429	0.8
115.05453	5.0
116.06228	3.6
117.07010	2.8
118.07763	0.4
119.04954	1.1
119.08591	1.1
121.06508	0.5
123.04437	0.9
123.08030	0.6
127.03896	1.4
127.97614	0.4
128.05258	0.5
128.06219	10.2
129.07005	20.2
130.07770	1.0
131.04929	2.0
131.08566	17.7
132.05687	0.7
133.06497	3.3
133.10098	2.1
135.04401	0.5
135.08052	0.6
138.62900	0.4
139.03854	0.5
141.06982	9.6
142.07793	3.5
143.04919	1.0
143.08551	3.9
144.05707	9.0
145.05080	0.8
145.06471	6.3
145.10152	0.9
146.07268	3.3
147.04443	1.9
147.08020	1.3
149.09566	0.4
151.07442	0.5
152.06178	1.0
153.00653	0.5
153.01761	2.0
153.07021	2.4
155.04906	0.9
155.06056	1.3
156.05684	1.9
157.06496	11.0
157.10101	0.7
158.07240	2.9
159.04384	0.7
159.08058	25.5
160.05154	1.2
160.08711	0.6
161.05992	4.6
161.09612	8.3
167.06955	1.1
169.06438	1.6
169.07710	2.7
170.07265	8.1
171.04398	1.5
171.08032	6.1
172.05176	3.8
173.05974	4.3
173.10803	0.5
174.06779	2.6
174.11563	2.4
175.07507	2.6
175.12343	0.8
177.05484	1.4
178.06285	1.0
184.05222	0.5
185.05954	0.9
185.13359	0.5
186.06679	0.9
187.07541	18.0
188.08325	1.9
189.05495	3.6
189.09106	9.2
190.06285	1.5
191.07034	1.8
192.07845	0.8
193.08589	1.1
198.06728	2.3
199.07503	2.8
201.05391	1.7
203.07037	5.5
203.15582	2.2
204.07831	11.5
205.08560	1.7
206.09390	1.6
216.07822	3.8
217.08624	0.9
218.09372	1.6
219.10083	2.3
221.08124	1.2
221.11725	3.3
231.06514	0.9
231.10150	7.0
231.14882	1.6
234.08838	0.6
249.11221	100.0
249.15811	5.6
250.11539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03939	3.9
55.01854	3.0
55.05515	7.9
57.03437	2.3
57.07061	0.9
64.92350	0.8
65.03948	1.3
67.05510	14.0
69.03410	2.6
69.07069	8.3
69.69341	2.0
69.69740	3.7
71.04983	3.8
73.06527	1.2
74.35151	0.8
77.03893	1.2
79.05501	24.0
81.03424	1.7
81.07062	31.2
83.04978	4.5
83.08617	3.7
85.06513	2.0
91.05485	41.4
93.07052	28.5
95.04972	8.2
95.08609	14.8
97.06530	3.8
98.21313	2.5
99.04439	1.6
99.08097	1.5
103.05444	2.5
105.07038	46.5
107.04958	28.7
107.08595	10.9
109.06527	8.5
109.10154	2.8
111.08083	1.5
113.05955	0.9
115.05479	2.2
117.07015	14.1
119.08589	31.8
121.06507	7.5
121.10154	7.6
123.08047	3.3
128.06212	3.0
129.07010	10.5
131.08574	21.4
133.06509	1.8
133.10144	23.7
135.08063	14.6
135.11649	2.8
137.09599	3.2
139.11189	1.2
141.06999	1.9
142.07816	1.8
143.08554	8.7
145.06482	1.0
145.10121	27.3
147.08057	3.8
147.11676	7.0
149.09599	5.9
149.13277	1.1
151.07507	2.0
154.06207	0.8
154.07643	0.8
155.08562	3.7
157.10135	2.5
158.07310	1.0
159.08069	2.9
159.11699	9.8
161.09598	2.9
161.13257	3.2
161.79819	0.8
163.07529	1.2
163.11195	4.0
167.07024	1.2
169.10153	4.5
171.11700	14.6
173.09624	2.8
173.13260	3.3
177.09105	2.8
177.12881	1.1
183.11685	2.9
185.13303	4.2
186.27469	0.8
187.11195	2.4
187.14841	9.5
189.12750	12.7
191.07024	1.9
191.10699	1.7
201.12686	2.7
201.16399	10.4
205.12158	1.3
205.15930	2.6
211.11075	1.3
211.14798	7.9
219.10199	2.2
219.17459	1.4
229.12372	3.9
229.15862	14.0
229.19513	0.9
247.06013	2.0
247.09837	6.3
247.13353	5.2
247.16943	100.0
247.20543	4.3
248.17262	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.05511	13.5
65.03925	1.6
67.05167	2.2
67.05504	30.7
69.07078	9.2
71.02263	2.4
71.02618	3.1
71.04990	8.2
79.05495	54.0
81.07056	46.2
83.04971	5.7
83.08608	6.1
85.06524	5.7
91.05479	36.0
91.05996	0.9
93.07044	100.0
95.04950	4.8
95.08044	2.8
95.08608	41.2
97.06552	2.2
97.10159	2.1
98.64960	1.6
99.08069	3.8
105.07031	38.5
107.04976	2.3
107.08595	50.3
109.06499	3.1
109.10159	15.4
111.08079	3.2
117.07018	14.5
119.08575	29.4
121.06487	2.0
121.09309	2.9
121.10143	46.3
123.11691	2.7
131.08577	26.2
133.10132	39.4
135.11694	40.8
138.03773	2.0
139.03917	9.1
143.08540	3.5
145.06488	2.7
145.10118	23.3
147.08054	1.5
147.11696	29.5
149.13257	16.6
151.11186	4.0
154.45638	1.8
157.10121	2.7
159.11703	23.0
161.13232	9.3
163.03935	3.4
163.07590	1.8
163.14804	2.6
165.12724	3.9
167.07104	1.9
168.38438	1.6
173.13264	20.3
177.05305	2.8
187.14845	9.2
189.16379	22.6
191.07021	3.2
201.12657	2.3
201.16359	10.9
219.10056	2.3
229.12257	5.1
229.19519	36.3
247.09715	3.4
247.13240	15.7
247.16847	6.6
247.20598	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86431	1.6
53.03934	3.4
55.01840	1.6
55.05506	17.4
57.07089	3.0
59.27825	1.7
60.48729	1.6
65.03934	3.2
67.05505	34.2
68.99791	5.1
69.07081	10.4
71.04984	7.8
71.49606	2.0
79.05494	74.4
81.07060	51.1
83.04955	2.1
83.08617	8.3
84.49872	1.5
85.06554	3.6
91.05484	48.6
93.07048	100.0
95.04948	10.3
95.08607	37.4
97.06515	2.1
97.10167	2.3
98.21320	2.0
99.08096	4.1
105.06372	2.8
105.07034	38.7
107.04943	3.5
107.08601	63.1
109.06516	3.5
109.10158	19.2
111.08082	3.1
117.07017	17.0
119.07787	2.4
119.08584	28.5
121.10142	51.4
123.04411	5.7
123.08052	1.8
123.11703	4.3
129.07005	2.0
131.07689	2.5
131.08575	21.4
133.10133	43.2
135.11691	44.1
137.05952	4.6
139.03906	4.3
141.05443	7.7
143.08607	1.9
145.10120	21.7
147.11693	37.2
149.13248	13.6
151.11197	5.9
153.05467	70.1
159.11697	24.6
159.19519	1.9
161.13234	9.5
163.03951	1.9
163.07526	4.6
163.11162	1.7
163.14775	1.7
165.12836	2.0
167.07022	4.1
173.13255	21.2
175.14705	1.9
177.05479	14.4
179.07228	1.7
187.14835	11.7
189.16393	24.1
191.07092	3.4
201.16397	9.0
203.06970	3.6
205.08577	7.9
219.10187	5.3
229.08623	2.1
229.12170	3.1
229.19513	41.7
229.21771	3.1
247.09683	3.7
247.13278	38.3
247.16951	5.0
247.20572	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.06532	0.9
55.01868	1.9
55.05517	6.7
57.07070	1.4
60.16301	0.8
63.13744	0.8
67.05505	8.6
68.48998	0.7
69.07076	6.1
69.71896	4.6
70.26851	0.9
71.08625	0.9
79.05497	11.1
79.78674	0.8
81.03399	1.3
81.07063	22.3
81.07537	0.7
83.04990	2.6
83.08619	2.8
86.25315	0.9
91.05487	19.1
93.07050	16.4
95.04984	4.9
95.08613	11.2
97.06535	1.5
98.20984	2.5
100.32919	0.8
105.07043	25.4
107.04291	1.0
107.04963	16.2
107.08598	16.8
109.06528	4.5
109.10203	5.3
111.08069	1.5
115.05479	2.0
117.07026	6.8
119.08588	28.7
121.06512	4.4
121.10145	7.8
123.08049	1.8
123.11717	1.3
129.07002	2.7
130.07831	2.3
131.08582	21.4
133.06422	0.9
133.10141	32.5
135.08070	4.0
135.11681	2.5
137.09663	0.9
139.07602	1.3
142.07861	0.8
143.08557	3.4
144.09235	1.7
145.10129	34.5
147.08035	1.5
147.11679	6.0
149.06036	1.8
149.09625	2.7
151.07513	1.9
153.09129	1.2
155.08542	1.1
157.10152	2.7
158.10893	1.3
159.08076	2.8
159.11697	22.9
161.09560	1.1
161.13275	4.7
163.07541	4.0
165.09131	1.9
171.11668	2.7
172.12489	1.8
173.09651	3.2
173.13257	12.5
175.14816	1.6
177.09151	13.7
179.10657	1.6
183.11713	1.9
186.14046	1.4
187.11142	3.5
187.14832	2.1
189.12679	1.0
191.10718	5.0
201.16400	100.0
202.16628	1.4
203.17999	5.3
205.12344	1.3
211.14868	2.1
219.17488	5.3
229.08539	1.1
229.12262	3.0
229.15891	10.1
247.09763	1.9
247.13091	3.5
247.16951	60.7
247.20901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.12358	1.7
55.05518	14.2
57.07072	1.7
67.05502	9.1
69.07079	7.3
70.93810	3.2
79.05496	11.4
81.07063	11.5
83.08608	4.3
86.04811	1.5
91.05483	19.9
93.07045	22.3
95.04988	1.8
95.08621	16.7
97.10167	2.0
105.07038	29.6
107.08601	25.7
109.10154	7.2
117.07005	9.0
119.08585	46.2
121.10157	13.0
130.07788	1.6
131.08575	31.4
132.58371	1.5
133.10133	58.5
135.08038	2.0
135.11708	3.2
137.13179	1.7
139.03915	7.4
139.07518	2.2
143.08601	2.2
144.09338	2.7
145.06506	2.0
145.10133	42.3
147.11693	12.5
148.07912	1.6
149.06012	2.3
149.09605	4.4
149.13286	3.1
151.07552	2.8
157.10117	3.3
159.08064	3.9
159.11694	30.7
161.13255	8.3
163.03972	3.1
163.07530	7.9
163.11263	2.0
171.11705	1.8
172.12433	2.4
173.09654	6.0
173.13271	14.9
175.14932	1.7
177.09102	35.9
186.14125	1.7
187.11124	3.6
187.14819	2.6
191.10721	4.6
194.98514	1.6
201.16396	100.0
203.17958	9.3
219.17511	3.8
229.12262	2.9
229.15866	14.8
229.19444	2.8
247.09496	1.7
247.13365	7.1
247.16960	29.7
247.20634	3.3
247.24408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.01852	0.9
55.05512	7.5
57.03432	1.7
57.07066	2.9
61.14038	0.6
63.17794	0.7
67.05507	6.6
69.03412	1.0
69.06720	1.4
69.07070	21.1
69.69449	4.5
71.08617	1.0
79.05491	7.9
81.07063	12.1
81.35767	0.7
83.04986	1.0
83.08614	3.1
85.06554	1.2
91.05483	15.6
92.96493	0.6
93.07047	14.8
95.04945	1.6
95.08607	10.1
97.10168	1.0
98.21278	2.2
99.08065	0.9
102.56021	0.6
102.86287	0.8
103.05452	2.5
105.07038	47.0
107.04938	1.5
107.08600	8.7
109.06496	0.8
109.10153	4.2
115.05445	2.0
116.06236	0.9
117.07027	11.3
119.04925	3.0
119.08581	33.9
121.06522	4.6
121.10153	7.1
123.08087	0.8
123.11695	2.9
125.05900	0.9
129.06985	0.8
130.07784	1.4
131.04909	1.0
131.06532	0.8
131.08560	15.0
133.10136	11.4
135.08038	2.1
135.11719	4.2
137.05959	1.9
137.09602	1.1
139.03946	0.9
139.07602	0.8
142.07809	0.9
143.08553	2.6
144.09334	0.9
145.06491	19.0
145.10120	29.8
147.08026	1.0
147.11691	13.0
149.05984	64.7
149.09636	1.2
149.13237	2.1
151.07500	0.9
153.05515	0.7
155.08554	1.3
157.10138	3.2
159.08113	5.8
159.11694	19.9
161.09622	2.0
161.13258	2.8
163.07553	33.8
163.11235	1.2
169.10159	1.5
171.11710	2.4
173.09645	8.6
173.13286	7.0
175.14813	3.5
177.09122	5.6
183.11719	1.0
187.11203	1.9
187.14795	2.5
189.16426	1.5
191.10677	11.2
201.16406	18.9
203.17952	2.6
205.12170	1.2
211.14857	3.1
213.40889	0.7
219.17430	1.1
222.04643	0.7
229.12282	1.7
229.15955	5.7
229.19467	6.8
247.05888	1.2
247.09814	1.8
247.13394	4.0
247.16942	100.0
247.20529	4.6
248.17215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03965	1.3
55.01859	1.2
55.05512	9.8
57.07073	3.0
64.16212	0.9
65.03948	1.0
67.05502	7.8
69.07082	7.6
69.51978	4.3
69.52390	2.3
76.59393	0.9
79.05495	8.9
81.07065	12.3
83.04974	2.3
83.08607	3.8
91.05481	13.8
93.07046	19.0
95.04959	2.2
95.08608	17.2
97.06548	1.2
97.10149	1.1
105.07036	29.8
107.04958	1.6
107.08604	20.6
108.78717	0.9
109.06503	2.7
109.10151	6.0
115.05443	1.2
115.82244	1.0
117.07006	7.9
118.07777	1.1
119.08588	33.0
121.06564	1.5
121.10138	10.7
123.08079	1.3
123.11661	1.1
128.06160	1.0
129.07008	2.0
130.07797	2.3
131.07568	1.4
131.08580	23.8
133.10141	42.2
135.08046	2.8
135.11699	3.1
139.07530	1.8
141.07080	1.1
143.08612	2.5
144.09343	2.2
145.06508	2.6
145.10126	33.5
147.08026	1.1
147.11687	7.8
149.05945	2.1
149.09618	4.2
149.13240	1.2
151.07547	2.8
155.08546	1.3
157.10138	4.3
158.10950	1.1
159.08060	3.0
159.11711	24.9
161.09688	1.9
161.13237	5.9
163.07567	5.2
163.11139	1.5
165.09128	1.5
167.07042	1.4
169.10175	1.6
171.11623	1.1
173.09660	4.7
173.13271	11.8
175.14810	2.2
175.25964	1.0
177.09103	20.5
179.10724	2.5
183.11649	1.9
185.13237	2.4
186.14096	1.4
187.11176	3.6
187.14848	3.0
189.16328	1.2
191.10689	4.6
201.12682	3.1
201.16389	100.0
202.16782	1.8
203.17918	6.4
211.11241	1.1
211.14807	1.5
219.17429	4.4
229.12334	2.2
229.15891	10.7
229.19508	3.3
247.09796	1.4
247.13158	6.5
247.16953	36.8
247.20615	7.1
247.24500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.6
55.01869	3.5
55.05511	13.7
57.03428	2.7
57.07061	1.3
62.95844	1.1
65.03936	1.6
67.05504	19.7
68.99776	2.4
69.03419	2.5
69.07075	14.9
69.07416	2.0
70.30261	2.8
71.04984	5.6
71.21532	1.2
79.05070	1.4
79.05498	25.4
81.07060	34.8
83.04965	4.8
83.08623	4.2
85.06547	2.6
91.05483	38.2
91.06062	1.9
93.07050	29.1
95.04965	8.6
95.08609	14.1
97.06509	4.2
98.21256	2.8
99.04415	1.9
99.08086	1.3
103.05490	2.5
105.07037	46.2
107.04964	20.4
107.08603	15.3
109.06546	7.6
109.10170	3.9
109.57480	1.2
111.08068	2.1
115.05452	2.7
117.07012	18.2
117.21960	1.2
119.04911	1.3
119.08588	34.3
121.06510	5.6
121.10153	8.6
123.04435	27.4
123.08056	3.5
123.11700	2.3
128.06258	1.6
129.07014	9.6
130.07777	2.2
131.08566	23.2
131.51625	1.4
133.06505	2.0
133.10133	30.2
135.08055	13.3
135.11708	4.3
137.05931	2.4
137.09570	3.4
139.03902	2.1
139.07509	1.7
141.07034	1.8
142.07761	1.7
143.08578	5.9
145.06473	1.4
145.10138	32.2
147.08049	3.5
147.11661	10.2
149.05986	9.7
149.09636	6.2
149.13228	1.3
151.07562	4.3
155.08563	3.0
157.10100	4.4
159.08061	2.3
159.11693	14.5
161.13237	5.6
163.07552	16.2
163.11169	3.0
163.14870	1.3
165.09062	2.2
167.07094	1.6
168.09241	1.2
169.10123	4.3
171.11685	13.9
173.09673	3.5
173.13275	4.5
175.11226	1.9
177.09180	6.6
178.06212	1.4
178.36504	1.1
183.11676	3.6
185.13258	2.5
187.11130	2.9
187.14790	8.9
189.12749	12.4
191.07062	2.4
191.10686	1.9
199.07587	1.4
201.12747	4.1
201.16402	37.4
203.18030	1.6
205.12302	2.0
205.15875	2.9
211.14821	8.5
219.10188	2.9
219.17453	3.0
229.12387	5.9
229.15875	14.1
229.19513	2.5
247.05890	2.3
247.09668	7.2
247.13335	8.5
247.16945	100.0
247.20555	8.7
247.24486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03932	4.8
53.63513	1.9
55.05500	6.8
57.07061	6.6
59.05011	2.2
65.03936	4.3
67.05504	5.6
69.03438	19.5
69.07056	4.0
70.61387	4.2
70.61720	2.0
79.05496	8.6
81.03445	1.9
81.07060	14.8
83.04987	25.1
85.06538	3.0
91.05478	18.7
93.03366	3.0
93.07047	17.7
95.04955	7.0
95.08607	5.6
97.02920	8.6
97.06556	2.3
98.21358	3.1
105.07021	17.4
107.04993	2.7
107.08607	16.4
109.02885	14.2
109.06520	13.5
109.10168	5.7
111.04453	3.3
111.08018	2.1
115.05436	3.8
115.76245	1.6
116.06238	2.7
117.07018	12.7
117.07716	1.8
119.08585	19.5
121.02848	4.6
121.06522	16.3
121.10133	8.5
123.04417	2.5
123.08102	3.6
123.92941	1.5
125.05985	2.0
128.06229	4.7
129.07004	6.5
130.07733	2.4
131.08571	21.1
132.05728	2.4
133.06525	1.9
133.10149	12.6
135.07088	3.1
135.08058	36.5
135.11627	2.3
137.05952	4.9
137.09656	4.5
137.80890	2.0
141.06949	2.7
142.07785	4.3
143.08591	12.5
144.05672	2.4
144.09377	9.1
145.06500	13.1
145.10106	15.3
147.08047	5.8
149.09633	25.4
149.13304	2.6
150.10410	4.8
151.07562	3.6
151.11230	3.9
153.06969	2.9
155.08580	5.5
157.06444	2.3
157.10133	5.3
158.07281	4.6
158.10916	12.0
159.08075	14.6
159.11694	28.8
160.08832	4.2
161.09596	4.8
163.07549	19.1
163.11217	3.8
167.08618	2.2
168.09383	3.9
170.10938	4.4
171.08026	9.1
172.08830	17.3
173.09636	34.5
173.13269	32.6
175.07599	3.3
177.12747	1.8
181.06480	2.6
183.11661	11.1
185.09608	2.4
185.13246	2.6
186.10416	23.5
187.07588	7.2
187.11191	100.0
189.09172	3.5
191.07027	35.6
191.08336	1.6
191.17905	1.9
196.08838	6.0
201.08900	2.2
201.12767	59.0
205.12221	5.7
211.11230	12.5
215.07059	3.1
215.33763	2.0
219.08041	6.0
219.13818	6.7
229.08762	2.5
229.12248	71.1
247.07483	8.6
247.09712	4.8
247.13313	89.9
247.17137	4.9
247.24362	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03924	1.5
53.36951	1.0
55.01863	1.3
55.05515	13.2
57.03439	2.1
57.07073	3.1
59.29041	1.1
60.70302	1.2
65.03926	2.0
67.05507	15.7
69.03423	2.6
69.07066	8.1
70.96294	2.7
71.04973	1.6
79.05499	17.2
81.07060	19.3
83.04977	4.4
83.08602	6.5
87.08062	1.1
91.05477	33.0
93.07043	31.7
95.04979	6.4
95.08603	26.3
97.06544	1.3
97.10164	2.3
98.21177	1.7
99.04469	1.3
99.08096	1.8
99.82063	1.1
105.07033	44.5
107.04958	5.2
107.08601	35.3
109.06518	4.5
109.10143	7.2
111.08092	1.5
115.05428	1.5
117.07030	11.3
119.08582	56.2
121.06483	4.0
121.10138	13.1
123.04436	2.2
123.08055	2.6
123.11730	2.9
125.05996	2.4
125.09649	1.9
129.06985	4.8
130.07809	3.4
131.08568	34.2
133.10135	65.5
135.08072	6.3
135.11717	4.0
137.06009	1.8
137.13286	1.4
139.03926	2.0
139.07527	2.7
139.11241	1.4
141.07066	1.4
142.07748	1.4
143.08571	5.5
144.09338	2.8
145.06480	2.6
145.10129	47.7
145.11279	2.8
147.08058	3.2
147.10835	1.2
147.11732	13.9
149.05975	1.9
149.09604	3.9
149.13211	1.6
151.07533	4.6
151.11171	1.3
153.05473	7.2
153.06697	1.2
153.09164	1.8
155.08571	1.8
157.10182	6.6
158.07188	1.2
158.10901	2.3
159.08073	5.1
159.11685	39.4
161.09644	2.8
161.13295	9.3
163.07541	9.8
163.11200	2.0
165.09123	3.1
167.07042	2.4
169.10127	1.9
171.11694	3.0
172.12500	3.4
173.09680	6.7
173.13264	21.6
175.03923	1.5
175.07487	1.6
175.14793	3.2
177.05678	1.9
177.09117	41.2
179.10724	2.4
183.11674	3.3
185.13266	3.5
186.14024	1.3
187.11180	4.9
187.14842	4.5
191.07050	1.3
191.10678	7.0
191.14317	4.3
201.12701	3.6
201.16385	100.0
203.17946	9.3
205.12230	2.3
211.11165	1.8
211.14780	2.6
219.17412	4.0
219.97658	1.4
229.12267	4.2
229.15869	21.4
229.19443	1.9
247.06055	4.4
247.09767	2.9
247.13300	14.1
247.16945	54.1
247.20609	6.0
247.24463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.34634	1.2
51.34317	1.3
53.03932	4.5
55.01872	1.7
55.05502	5.2
57.03415	1.6
57.07074	9.7
58.59477	1.2
58.69989	1.3
59.05011	1.6
63.19302	1.4
65.03934	4.8
67.05499	7.5
69.03430	21.7
69.07065	5.1
69.86965	7.9
79.05490	11.1
81.03365	1.3
81.06718	1.1
81.07063	12.8
83.04984	21.4
85.02888	2.7
85.06519	2.6
87.04398	1.4
91.05482	20.8
93.03386	4.3
93.07046	16.7
95.04957	5.0
95.08592	7.5
97.02888	8.1
97.06537	2.8
98.20953	3.2
98.21517	1.3
103.05478	1.8
105.07029	18.1
107.04978	2.7
107.08611	19.4
109.02888	16.5
109.06511	14.2
109.10139	6.2
111.04421	5.8
115.05446	5.2
117.06993	10.9
119.08593	19.1
121.02867	6.7
121.06520	19.0
121.10160	7.1
123.08043	3.7
123.11729	2.2
128.06209	4.9
129.06996	7.6
130.07758	2.3
131.08566	21.5
132.05679	3.0
133.06456	2.1
133.10147	11.1
135.07088	2.3
135.08060	26.0
135.09081	1.6
135.11714	2.2
137.05986	3.7
137.09616	3.0
139.03957	3.1
141.06999	3.2
142.07809	3.8
143.08545	9.5
144.05687	2.0
144.09369	8.7
145.06531	14.0
145.10132	17.1
146.07254	1.7
147.08046	5.4
149.05981	2.4
149.09625	23.2
149.13220	1.7
150.10414	3.1
151.11166	4.5
153.06927	2.6
153.09073	1.6
155.08582	6.4
156.09344	2.0
157.10130	6.8
158.07288	2.3
158.10918	11.9
159.08083	16.9
159.11707	31.2
159.12994	2.4
160.08879	2.7
161.09598	5.7
163.03955	2.3
163.07542	22.7
163.11201	4.8
163.14816	1.7
165.09068	2.6
168.09341	6.1
169.10115	3.3
170.10904	5.8
171.08061	7.0
172.08829	19.2
173.05998	2.7
173.09634	31.3
173.13263	37.4
175.07506	2.1
177.12724	1.3
178.07906	1.4
181.06517	1.8
183.11685	12.0
185.09608	2.1
185.13174	3.4
186.10428	23.5
187.07674	6.4
187.11188	100.0
189.09160	2.2
191.07045	42.1
192.07416	1.4
193.10249	1.6
196.08803	7.7
199.07613	2.5
201.12752	59.6
202.12990	1.6
203.14351	2.1
205.08627	1.8
205.12250	6.9
211.11194	11.7
214.09944	4.4
219.09926	1.7
219.13791	7.3
229.12250	68.9
229.15825	3.1
247.05774	2.6
247.09807	3.3
247.13306	87.4
247.16962	5.2
247.24225	5.1
248.13646	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	247.133
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03932	4.7
55.05495	4.1
57.03429	1.8
57.07079	45.2
59.04971	1.8
65.03931	4.1
67.05486	5.2
69.03431	24.7
69.07052	1.3
69.90137	1.1
71.23779	2.6
77.03964	1.3
79.05483	7.3
81.03405	4.6
81.07067	6.9
83.04980	20.4
85.02903	7.0
85.06527	4.1
91.05487	18.0
93.03398	2.7
93.07043	10.6
95.04961	4.8
97.02888	8.4
98.21054	1.8
101.96912	1.1
103.07562	4.4
105.07037	12.3
107.04958	2.2
107.08583	13.8
109.02882	14.2
109.06519	13.1
109.10139	2.7
111.04443	5.8
115.05470	3.2
117.07017	11.3
117.09920	1.3
119.08577	15.6
121.02842	5.1
121.06508	14.1
121.10160	7.4
123.08073	2.1
127.03919	4.0
128.06204	3.3
128.22021	1.4
129.06993	7.6
130.07816	2.1
131.08571	14.2
132.05716	2.5
133.06519	1.6
133.10104	7.8
135.08060	28.2
137.05968	4.0
137.09639	4.7
139.03905	1.9
141.07013	2.6
142.07774	2.3
142.58705	1.1
143.08583	9.3
144.09335	9.4
145.06483	13.3
145.10141	12.5
147.08054	4.7
149.09621	20.7
150.10333	3.9
151.11176	3.3
153.06987	2.4
153.09053	2.9
155.08517	6.9
156.09341	1.3
157.10135	2.7
158.07274	2.7
158.10934	8.7
159.08069	14.2
159.11702	25.6
160.08832	3.7
161.09644	3.9
163.07558	20.1
163.11171	2.9
167.08430	1.4
168.09344	4.7
169.10089	3.4
170.10945	5.5
171.08055	8.0
172.08833	17.4
173.05939	2.3
173.09621	31.5
173.13261	31.6
175.11084	1.4
176.25835	1.2
181.06628	1.6
183.11684	6.8
185.13319	3.5
186.10411	21.3
187.11191	100.0
188.11746	2.2
189.09119	2.2
191.07042	36.0
196.08865	5.2
201.12758	55.0
203.14331	1.5
205.12245	6.1
211.11218	10.8
214.09906	2.8
219.13831	5.6
229.12239	63.9
247.06015	4.3
247.13316	74.9
248.13445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.01869	1.0
55.05515	1.0
57.03440	2.2
57.07078	100.0
61.02930	1.1
65.03940	0.7
67.05514	0.8
68.99801	1.0
69.03428	16.1
69.07079	0.8
69.37412	3.8
69.75915	0.5
71.04996	1.5
73.02924	0.7
79.05499	1.0
81.03423	15.0
81.07069	1.5
83.04984	2.3
85.02908	16.1
85.06545	12.7
91.05492	3.1
93.07042	1.5
95.05003	0.9
95.08633	1.1
97.02898	7.3
97.33241	0.5
99.04464	1.9
103.07588	5.9
105.07079	2.1
107.04961	0.9
107.08608	1.7
109.02872	8.2
109.06585	1.1
115.05448	0.9
117.07047	1.6
119.08604	2.1
121.02898	1.3
121.06510	1.2
121.10209	0.8
123.08082	0.8
127.03927	10.0
127.04791	0.7
128.06232	0.7
129.07016	1.7
131.08563	2.6
133.10144	1.2
135.04431	0.8
135.08093	1.6
143.08604	0.5
144.05788	1.0
145.05008	1.2
145.06465	1.4
145.10147	1.3
147.08081	0.9
149.09613	0.9
149.67746	0.5
155.08592	0.8
158.07339	1.4
159.08073	2.8
159.11804	1.6
161.06032	0.8
163.07689	0.8
172.08865	0.8
173.06035	0.9
173.09738	1.6
173.13383	1.0
175.03915	0.8
177.05461	0.7
177.12846	0.7
183.11729	1.5
186.10478	0.8
187.07628	2.2
187.11197	2.6
191.07097	1.0
201.12825	2.1
203.07162	0.6
215.07042	1.0
217.08656	0.7
219.10080	2.8
229.10751	4.1
229.12799	3.4
242.91782	0.5
247.05824	4.5
247.09740	1.5
247.13472	5.2
247.17096	1.7
259.65851	0.6
259.75275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69467	0.4
53.03930	1.4
55.01857	0.9
55.05504	0.9
57.03446	3.1
57.07080	100.0
61.02920	1.2
64.79782	0.4
65.46923	0.4
67.05515	0.5
69.03434	17.0
71.04989	1.2
71.57269	0.5
78.16761	0.4
78.86017	0.4
79.05479	0.7
81.02976	0.8
81.03423	10.8
81.07036	0.4
83.04979	4.1
85.02914	17.5
85.06551	14.3
91.05468	1.4
93.07056	0.9
97.02888	5.7
98.20937	0.5
99.04457	1.9
103.07583	8.5
105.07030	1.3
107.08600	0.7
108.78506	0.4
109.02883	5.8
109.06542	0.7
117.07035	0.5
119.08587	0.9
121.02863	1.3
121.06502	0.7
121.10100	0.6
127.03930	10.2
129.07037	1.1
131.08553	1.9
133.10104	0.6
137.53896	0.4
139.03886	0.5
141.07042	0.6
143.08614	0.8
145.04955	1.3
145.06477	1.4
145.10107	0.9
147.08028	1.0
155.08641	0.8
159.08038	1.8
163.03899	1.0
168.09404	0.6
173.06064	1.1
173.09682	0.8
183.11687	1.3
187.07581	0.9
187.11192	1.1
191.03363	0.5
201.05478	1.2
201.09029	0.5
201.12755	1.3
211.11134	1.2
217.08577	0.5
229.05013	0.7
229.08687	0.6
229.10588	1.4
229.12524	3.5
247.02203	0.9
247.05896	3.3
247.09587	1.3
247.13582	3.4
247.17014	1.1
258.10822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	1.3
55.05494	1.6
57.03440	3.3
57.07078	100.0
60.34230	0.5
61.02903	0.9
67.05505	1.0
69.03076	1.1
69.03433	16.0
71.04996	1.2
71.57493	0.5
79.05487	1.4
81.03423	9.7
81.07049	0.7
83.04991	4.7
85.02418	1.1
85.02908	16.6
85.06546	13.9
91.05465	1.7
93.07033	1.5
95.08579	1.0
97.02908	7.5
99.04417	1.7
103.07590	7.5
105.03362	0.7
105.07024	2.4
107.08595	1.1
109.02880	6.5
109.06519	1.4
111.04448	0.8
115.05429	0.7
117.07021	1.0
119.08590	2.1
121.02858	3.8
121.03663	0.6
121.06490	1.1
121.10134	0.6
123.08059	0.9
127.03914	8.0
128.06259	0.9
129.06964	1.1
131.08554	2.1
133.06456	0.7
133.10121	1.6
135.08075	0.6
135.11646	1.0
135.42293	0.6
135.49020	0.6
139.03909	1.2
141.06972	1.3
143.08513	0.8
145.04924	1.1
145.06500	1.4
145.10114	2.2
147.08049	1.1
149.06044	0.8
153.01836	1.9
155.08524	1.4
157.10072	0.7
159.08034	2.5
159.11678	1.8
161.09659	0.9
163.03926	0.8
163.07457	0.7
168.09340	0.8
173.05995	1.9
173.09573	0.8
173.13190	0.9
174.11549	0.7
183.11687	1.2
187.07492	1.5
187.11227	0.8
191.03438	0.9
196.08839	1.2
201.05547	0.7
201.09218	1.0
201.12752	1.8
203.15450	1.5
211.11198	1.7
211.14711	0.6
229.04893	1.4
229.08653	0.8
229.10414	0.6
229.12349	5.6
229.15756	1.0
247.02348	1.0
247.05980	9.3
247.09695	1.4
247.13312	5.1
247.17007	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	247.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83018	1.0
55.05499	2.8
56.96573	1.2
69.03423	5.2
70.02060	1.3
70.63083	2.6
71.49347	1.2
72.08166	6.2
73.02920	1.4
75.04462	1.3
77.69720	1.0
80.13703	1.1
81.03413	1.9
83.04985	8.1
84.04495	3.0
85.02903	5.1
86.09696	2.4
95.04966	2.1
97.02868	2.2
97.06502	1.1
98.06036	1.2
98.21407	1.4
98.98484	11.6
100.07620	1.5
101.00890	2.6
103.00581	2.2
113.02338	1.4
118.08641	1.7
119.01923	5.1
119.08546	1.5
121.01688	2.9
121.02792	1.3
126.54406	1.1
127.03942	1.4
130.12320	1.4
133.03450	2.3
135.04381	1.4
135.07951	1.3
139.03905	1.6
143.01819	1.1
143.08502	2.2
145.03510	1.2
145.06476	1.2
145.10126	1.8
152.84554	1.0
155.01712	1.2
157.01631	1.2
159.08018	1.6
160.54593	1.6
161.02940	2.0
167.03094	2.2
168.09329	1.7
173.05943	1.5
173.09726	1.4
175.02646	1.4
183.11754	1.4
187.02618	3.2
196.08879	2.2
199.02707	1.5
201.12665	3.9
211.10977	1.5
211.78685	1.2
215.00284	1.6
219.03076	2.2
229.03203	31.9
229.12253	11.6
247.04245	100.0
247.13249	13.6
248.04535	1.1
248.11316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64384	0.6
53.03955	2.1
55.04755	0.6
55.05516	1.1
57.03435	2.8
57.07077	100.0
58.07409	0.8
61.02934	0.8
65.03920	0.8
67.05516	1.1
68.99792	1.1
69.03432	15.7
71.05005	1.6
71.56655	0.9
79.05493	1.1
81.03419	18.6
81.07063	1.6
83.04997	2.1
85.02907	15.4
85.06546	11.5
85.07060	0.6
89.33435	0.5
91.05483	2.8
93.07047	1.5
95.04958	1.3
95.08608	0.7
97.02898	7.7
98.21068	0.7
99.04491	2.0
101.02392	0.6
101.73166	0.6
103.07597	7.5
105.07041	2.6
107.05045	0.8
107.08631	1.3
109.02888	8.5
109.06534	1.0
111.00809	1.3
111.08172	0.7
115.05428	0.9
117.07033	1.3
119.08618	2.0
121.02895	0.9
121.06536	1.7
121.10178	0.8
123.08114	0.8
127.03915	8.3
128.06271	1.0
129.07042	1.7
131.08594	2.2
135.08037	1.4
139.04068	0.6
141.07048	1.1
142.07858	0.7
145.05008	1.3
145.06543	1.6
145.10133	1.6
147.08086	1.3
149.09712	0.7
155.08601	0.7
157.10234	0.8
158.07324	1.2
159.08110	2.6
159.11751	1.9
161.09653	1.2
163.03972	1.4
163.07603	0.6
168.09424	0.8
169.10272	0.6
171.08105	0.7
172.08958	1.1
173.06136	0.7
173.09598	0.9
173.13321	1.0
183.11826	1.3
187.07635	1.8
187.11145	2.8
201.05508	0.8
201.12842	2.5
201.16402	0.7
211.11188	0.9
215.06998	0.8
217.08743	0.7
219.10312	1.9
229.10751	3.7
229.12715	3.3
229.15860	0.9
247.02728	0.6
247.03571	0.8
247.05931	5.5
247.09749	1.4
247.13524	7.2
247.17126	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	246.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
57.07070	0.8
65.19537	0.5
70.74089	1.7
73.06522	0.8
74.06073	0.6
79.05467	0.7
81.05795	0.5
81.07050	1.7
83.04970	1.2
84.04491	0.8
84.05302	1.0
84.49734	0.5
86.99023	0.6
96.08129	2.4
98.39610	0.6
109.02843	0.5
117.04475	1.1
121.02860	1.1
124.07592	14.4
129.04443	0.9
130.04964	0.9
135.05557	4.0
144.05576	10.6
145.03972	1.6
153.01828	3.2
155.58943	0.6
157.03966	1.6
160.02667	0.7
163.04994	0.6
168.55183	0.6
172.05061	91.1
173.03474	4.6
175.05005	1.1
184.09657	1.2
190.06123	3.8
200.04552	43.7
215.07382	0.6
218.05612	86.9
219.05917	0.7
246.05103	100.0
247.05927	2.1
256.89996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05038	0.3
57.07054	0.3
67.05231	0.3
67.05510	3.3
69.07067	2.1
69.22929	0.8
69.23345	2.6
70.06568	0.9
73.38295	0.3
76.84351	0.3
79.05493	2.2
81.07056	5.3
83.08612	0.8
91.05476	1.6
92.05772	0.3
92.86320	0.3
93.07047	3.2
94.06544	0.4
95.08057	0.6
95.08617	7.9
96.08149	0.5
98.21507	0.6
105.07043	2.3
107.08605	3.4
108.08137	0.6
109.10165	9.5
119.08569	1.6
120.08041	0.4
121.10156	2.3
122.09661	0.8
122.10472	0.4
123.11719	2.1
124.11235	0.3
131.08647	0.6
132.08907	0.3
133.10123	3.3
135.11691	3.3
138.12767	0.5
145.10138	0.9
147.11678	1.4
148.11214	0.4
149.13252	4.6
150.12790	0.5
161.13240	1.0
162.12724	0.4
164.14389	1.5
176.14308	0.4
178.15924	0.6
187.14934	0.6
188.14288	1.6
189.14989	0.4
189.16415	4.3
190.15900	1.3
202.15771	0.5
204.17488	12.7
205.08423	0.3
205.19496	1.8
216.17509	1.7
229.19461	0.6
231.19972	0.8
246.22180	100.0
247.13379	0.4
247.22427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0128
Annotation	Isopentenyl pyrophosphate
Peak:m/z	Relative Intensity
55.01876	1.0
55.05513	2.7
56.05040	1.5
56.96568	100.0
61.02905	0.6
67.05514	1.2
68.05038	1.1
68.99804	0.9
69.03437	5.3
69.07066	1.3
69.92305	3.2
70.06594	1.4
70.98127	10.9
71.95284	1.3
72.08158	2.1
73.02916	0.9
73.06579	0.7
74.97608	5.6
79.05494	1.6
81.03452	1.6
81.07064	1.5
83.04985	5.6
84.04527	1.8
84.08157	3.4
84.96023	5.1
85.02913	3.4
85.06542	1.1
86.09713	1.1
86.97614	1.8
88.99162	6.8
91.05508	1.6
92.98661	0.9
93.07082	1.0
95.04957	1.1
97.02921	2.0
97.06552	0.9
98.20837	1.4
98.21396	1.2
98.97575	7.4
100.99149	6.6
102.05540	4.6
102.97018	0.9
103.00673	0.6
103.02477	0.6
103.03994	0.9
105.07058	1.1
107.00231	2.1
107.04968	1.1
107.08591	0.8
109.02901	1.4
109.06587	1.1
110.97558	3.8
112.95547	0.9
113.00839	0.6
114.05540	1.4
115.05393	0.7
116.98611	5.9
117.07066	0.7
119.00197	5.6
119.01921	3.1
119.08593	1.8
121.01694	2.7
121.02867	1.2
121.06564	1.3
123.04439	1.2
126.97047	0.8
127.03974	1.2
128.98607	8.3
129.07007	1.1
130.06575	1.2
130.96568	2.3
131.01965	0.8
131.05161	0.7
131.08626	1.7
132.08057	0.9
133.01746	5.5
133.03525	0.9
134.99670	3.8
135.04387	1.0
135.08104	0.7
137.01294	0.6
137.02290	0.8
139.03949	1.1
143.00220	1.5
143.01843	1.0
144.98099	21.4
145.01761	0.8
145.06508	1.6
145.10144	1.3
146.06020	4.6
146.09691	0.8
146.99641	6.2
147.03302	1.1
147.04385	0.8
147.08067	0.7
148.97586	3.4
151.02805	1.3
153.01794	3.5
155.01959	0.7
155.04845	1.5
155.08601	0.8
156.08145	1.1
157.03476	1.5
157.10249	1.1
158.06024	3.6
158.99684	1.4
159.03239	0.7
159.08118	1.5
159.11707	1.0
160.07561	1.4
161.01294	2.6
161.03027	1.8
162.99147	32.5
163.02736	1.5
163.03940	2.5
165.00789	2.3
166.98689	1.8
168.09331	1.2
170.32007	0.7
173.06129	1.4
173.09671	0.7
173.13356	1.0
174.09157	1.1
174.99155	3.3
175.04489	1.1
177.00815	1.8
177.04332	1.6
179.02359	0.8
181.00191	14.5
181.01616	0.9
183.11777	1.7
186.00754	1.0
186.99234	2.5
187.07690	0.8
187.11182	0.9
199.01340	1.7
201.00787	4.1
201.02509	1.5
201.05586	1.3
201.10371	1.6
201.12791	1.8
202.10939	0.8
203.04193	0.9
203.11212	2.9
205.00204	32.2
211.11319	1.7
214.02693	0.8
218.65845	0.7
219.01787	1.9
221.05263	0.7
223.01256	58.4
228.01877	2.2
229.05130	1.7
229.10229	1.0
229.12248	6.0
232.03807	1.7
237.03070	2.0
241.02377	6.7
246.02980	1.7
247.02330	1.8
247.06175	11.2
247.08672	0.7
247.10857	3.7
247.13469	8.0
247.20427	1.5
265.02405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74869	1.1
55.05497	1.2
57.03424	1.1
60.63304	0.9
69.03425	3.4
71.01331	1.1
71.28426	1.5
72.08154	6.5
72.69811	0.9
81.03371	1.0
83.05000	1.1
84.04485	4.0
85.02880	2.8
86.09690	3.0
97.02892	2.0
97.65816	0.9
98.98434	3.6
101.00887	2.5
103.00618	1.1
118.08638	3.7
119.01920	3.6
121.01688	1.5
145.03470	1.7
147.03210	1.2
157.01660	1.1
161.02982	1.1
173.02986	1.9
184.09782	1.4
187.02527	2.2
201.12526	1.3
215.79257	1.1
219.03102	1.4
229.03178	28.8
229.05351	2.1
229.12138	1.2
247.04245	100.0
247.08075	3.5
247.13275	3.8
248.11229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05505	5.2
56.96570	35.7
57.03432	3.6
57.07076	1.7
61.02941	1.5
62.50831	1.5
67.05504	4.1
68.98277	1.7
69.03431	12.5
69.07063	1.8
70.06586	5.6
70.98105	1.8
71.04995	3.7
71.50479	2.5
71.95264	2.5
72.08160	9.0
73.02914	7.3
74.06051	1.7
75.38647	1.5
77.00925	2.6
79.01842	6.5
81.03414	4.9
81.04540	5.9
81.07038	1.6
82.99854	1.9
83.04988	5.8
84.04502	4.1
84.08146	5.3
84.96017	1.6
85.02910	13.5
86.09711	4.6
86.99338	2.5
87.04458	1.7
88.04971	1.7
88.99155	2.2
91.05478	2.8
93.03375	1.5
95.04966	3.9
97.02889	16.3
98.21026	2.1
98.97594	26.5
99.04439	2.1
101.00262	2.5
101.00892	32.7
103.00635	1.6
103.02415	1.5
105.00396	3.8
109.02879	6.1
109.06526	1.7
110.97601	2.6
112.99065	1.9
113.00891	5.1
114.05552	2.4
115.02439	4.1
116.98627	23.4
117.03982	1.9
117.07041	1.6
119.01929	92.3
120.02015	2.4
121.01659	3.9
123.03698	1.6
123.04443	10.7
123.08183	1.3
125.02354	2.8
127.02391	3.3
127.03934	4.0
128.98621	6.0
129.00330	2.1
129.03998	2.4
130.04965	2.6
131.00186	3.4
131.01906	25.7
131.08488	1.8
133.01698	3.5
133.03490	11.5
134.99673	13.4
137.02983	20.4
137.05974	3.4
139.02464	2.6
139.04007	1.7
142.03401	2.3
143.00154	4.7
143.01904	34.5
143.03358	2.9
143.08556	1.7
145.03487	23.2
145.04739	2.0
145.06448	1.8
146.03566	3.7
146.99646	4.7
147.01369	7.0
147.03227	1.9
147.05075	2.9
149.01169	2.9
149.02991	3.8
149.06593	1.8
152.98689	1.7
153.00784	2.2
153.01848	45.6
153.02933	2.0
154.02185	3.9
155.00093	1.9
155.01877	15.1
156.02673	3.5
157.01685	3.0
157.03485	28.4
157.10143	1.8
158.03635	2.5
158.99684	3.7
159.01515	1.6
159.05006	4.3
160.97591	1.5
161.01297	8.8
161.02972	97.5
163.02754	5.3
163.04491	6.8
165.00760	2.1
167.01941	5.5
169.03522	3.0
170.99706	1.9
171.05000	5.3
171.11717	3.4
173.01424	2.4
173.02968	29.5
174.03064	2.4
174.99149	7.5
175.02892	2.9
175.04536	23.9
175.07610	3.3
175.10974	1.8
177.00737	7.2
177.02303	2.5
179.02119	3.1
179.03995	3.7
184.04582	3.3
184.09790	2.2
185.01347	2.3
185.02957	40.6
187.04495	10.2
188.97092	4.6
189.00603	2.2
189.02094	1.8
189.06012	2.3
190.95325	1.7
191.02428	2.9
191.04021	8.6
193.00204	11.9
193.03871	2.8
197.02963	15.9
199.04518	4.3
199.11218	6.5
201.00842	2.6
201.04189	1.7
201.06062	1.9
201.12448	4.1
202.98759	1.9
203.02248	7.5
203.04042	36.3
203.05927	2.5
203.10690	1.8
206.98108	4.4
212.08304	1.9
213.12424	1.5
215.04045	7.2
217.05505	8.8
217.12332	3.6
219.01764	3.5
220.99681	2.0
221.03250	1.7
221.05084	22.2
227.03931	8.9
227.10741	4.5
227.14087	2.0
233.05093	5.2
235.06833	1.8
237.02959	2.0
244.99782	6.6
245.05049	100.0
245.11861	18.7
245.15030	6.4
246.05495	2.2
263.00821	6.6
263.06161	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03937	4.8
55.05519	16.4
57.03450	6.9
67.05482	13.3
69.03426	13.4
69.07057	10.1
70.30279	4.0
71.04993	37.7
76.58559	3.0
79.05508	29.5
81.03407	11.5
81.07057	35.0
83.04979	26.2
85.02885	4.7
85.06548	6.9
91.05469	24.4
93.07041	60.4
95.04966	91.2
95.08605	43.7
97.02884	4.4
97.06532	22.2
98.21118	18.0
99.04453	46.5
105.07033	66.5
107.04945	7.1
107.08593	86.5
109.06512	14.8
109.10145	26.6
111.04475	4.4
111.08094	9.4
115.05447	4.6
115.07566	3.5
116.10732	4.7
117.07033	20.5
119.08581	89.8
121.06496	6.5
121.10143	53.2
123.08064	25.5
123.11678	4.4
125.09647	11.1
127.03929	5.3
127.07552	4.2
128.06163	5.4
129.06982	6.9
130.07727	8.2
131.08568	27.3
133.10126	49.8
135.08041	10.7
135.11708	18.9
137.05890	3.9
137.09615	36.0
139.11208	5.2
141.06993	5.3
143.08549	11.1
144.09357	6.3
145.10138	46.3
147.08000	4.4
147.11702	18.7
149.09639	45.4
151.11154	14.0
153.01822	4.5
153.09103	22.0
155.10689	7.5
156.09381	6.2
159.04352	4.1
159.11693	59.1
161.13235	16.5
163.03934	4.6
163.11186	47.6
165.12775	13.2
167.10678	75.0
169.04956	5.6
169.12244	10.7
171.11710	13.8
173.05908	4.4
173.49342	3.3
177.12738	50.3
179.14282	3.3
180.04216	4.0
181.12215	9.2
189.12804	16.1
195.13817	10.3
197.06012	9.6
198.14890	10.3
207.13791	61.0
213.14868	9.7
215.10783	5.4
225.05515	7.3
225.07581	8.3
225.14865	100.0
226.14413	13.4
243.06523	14.1
243.15895	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Annuionone F
Peak:m/z	Relative Intensity
52.68586	3.7
53.03941	8.4
55.01875	5.4
55.05506	21.1
55.92564	3.8
57.03411	5.8
66.35720	3.4
67.05499	18.3
69.03436	33.0
69.07062	11.4
69.83147	3.8
69.88189	7.9
69.88602	13.3
70.20220	3.8
71.04983	25.7
73.70354	3.7
79.01852	5.5
79.05482	11.5
81.03402	12.8
81.07046	31.5
81.21822	4.5
83.04992	27.0
83.08633	4.1
85.06546	5.9
91.05488	22.5
93.07034	29.2
95.04965	58.2
95.08591	35.1
97.02877	4.5
97.06527	63.6
98.20780	5.9
98.21355	8.9
98.97594	14.9
99.04460	25.9
99.08092	11.9
105.07026	51.6
107.04909	4.6
107.08590	67.4
108.21249	4.0
109.02860	7.7
109.06506	20.3
109.10156	19.5
111.08083	10.4
116.98646	7.0
117.07018	12.2
119.08582	64.7
119.09447	4.7
121.06525	4.9
121.10131	39.4
123.08049	27.0
125.09636	94.6
131.08583	21.2
133.10112	29.3
135.08081	20.1
135.11694	16.7
137.09616	15.9
143.03436	6.1
143.08583	10.5
144.09259	5.4
145.10132	21.8
147.08073	6.1
147.11690	23.6
148.25308	4.5
149.09619	54.8
149.13330	7.3
151.11185	10.2
153.01840	66.4
153.09122	17.5
155.10616	4.4
159.11711	32.5
161.13257	15.4
163.11223	16.7
165.09123	23.4
165.12791	13.6
167.10683	51.7
169.05016	7.2
169.08694	4.0
171.11745	10.2
174.10443	4.7
175.86612	3.9
177.12704	26.8
179.14368	4.7
181.12202	9.8
183.10220	5.2
189.12785	15.6
195.13847	13.1
207.13831	68.1
225.14859	100.0
237.02708	5.7
243.02850	7.5
243.06512	9.0
243.10480	5.3
243.13805	5.2
243.15930	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	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12761	0.7
55.00401	0.8
58.99853	2.5
68.98270	2.7
69.03420	2.0
70.06590	0.9
70.99860	4.3
71.54794	1.1
77.00883	2.4
81.03391	3.0
82.99808	5.3
85.02889	1.7
86.99308	1.7
89.00867	1.3
97.02894	4.1
101.00884	65.3
102.50660	0.9
103.02451	1.3
105.00324	0.9
109.02870	2.3
113.00883	9.7
115.02447	5.6
119.01925	100.0
120.02042	1.9
121.03520	1.0
124.02433	1.5
127.02426	6.7
129.00327	1.4
129.03960	3.2
131.01907	23.9
133.03447	4.6
135.28165	1.0
137.00856	4.4
137.02022	1.3
137.02930	8.4
139.02396	3.2
142.03477	1.4
143.01904	18.5
143.49454	0.9
145.03473	29.0
147.01433	4.6
147.04996	1.9
149.02983	2.1
154.54762	1.7
155.00603	1.9
155.01901	38.3
157.03477	21.6
159.01416	1.1
159.04999	1.0
161.02963	25.0
163.04518	4.1
163.55318	1.7
167.01910	18.4
169.03482	5.6
171.05045	8.2
173.02971	41.6
174.03023	1.2
175.04538	7.4
179.00381	1.3
179.01883	11.0
185.02966	99.5
187.04547	10.0
191.04024	3.0
197.02979	37.0
199.04521	1.7
203.04021	19.6
204.55043	0.8
208.04544	2.6
209.02971	1.9
215.03998	11.5
217.05495	1.0
221.05096	8.7
222.05194	1.4
227.03981	6.1
240.06290	1.2
245.05046	39.2
245.11298	2.0
258.97751	0.9
263.06067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90908	0.8
53.03949	1.1
55.01851	0.8
55.05518	1.3
56.05056	0.8
56.96573	7.3
57.03427	1.3
58.03569	0.8
58.99860	2.4
68.98279	2.1
69.03427	4.0
69.48003	3.3
69.48417	2.4
70.06580	2.2
70.98128	1.1
70.99854	2.3
71.04982	1.5
71.95280	1.4
72.39162	0.8
73.02907	1.6
73.06583	0.9
77.00897	2.4
81.03416	3.2
82.99798	4.0
83.04992	1.2
84.04504	1.5
84.08130	0.9
85.02899	4.3
86.06072	1.4
86.99292	1.8
88.06430	0.7
89.00881	2.2
93.36214	0.8
97.01414	1.1
97.02905	7.3
98.20947	2.8
98.21526	1.0
98.97596	6.0
99.04411	0.9
100.11253	1.5
101.00881	53.0
102.00969	2.0
103.02473	2.0
105.00375	2.6
109.02861	2.9
113.00849	8.6
114.05578	1.2
115.02458	6.1
116.98602	2.4
119.01923	100.0
120.02023	1.4
121.01621	0.9
124.02483	0.9
125.00919	0.9
125.55711	0.9
127.00854	0.8
127.02451	5.7
127.03916	1.4
129.03993	2.7
130.05006	2.3
131.01903	27.8
132.01974	1.6
133.03470	6.3
134.99641	1.0
137.00775	2.4
137.02985	10.4
139.02409	2.9
141.04013	1.0
142.03468	2.1
143.01900	28.2
145.03464	32.6
146.03535	0.9
147.01381	5.0
147.05005	3.0
149.02953	3.0
153.01816	5.6
153.03934	1.3
154.54941	1.6
155.01903	29.7
156.02667	1.2
157.03479	24.9
158.03577	2.2
159.01416	1.1
159.05035	3.1
161.02962	52.9
162.03035	0.8
163.02946	0.8
163.04506	4.9
163.55460	1.4
164.05011	1.0
167.01903	15.0
169.03448	4.5
171.01408	1.1
171.05046	6.6
173.02959	38.9
174.03157	2.6
175.04553	11.8
179.01904	6.4
179.04060	0.9
184.04605	1.8
184.09674	1.2
185.02960	72.0
186.02945	1.0
187.04535	11.2
188.97073	2.8
189.06105	1.5
191.04019	2.8
193.00192	1.1
197.02968	27.8
199.04492	2.3
201.12344	1.9
202.98743	1.1
203.04007	26.6
204.04135	1.7
205.05608	2.0
206.98128	1.1
208.04518	1.9
209.02969	1.0
215.04030	9.6
217.05531	2.7
220.04739	1.0
220.99883	0.9
221.05086	18.3
222.05351	3.2
227.03938	4.2
233.05028	1.3
240.06410	2.4
245.05058	68.5
245.11853	2.4
245.14786	0.9
246.05293	1.0
263.06027	6.6
263.08493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0151
Annotation	Eschweilenol A
Peak:m/z	Relative Intensity
53.14865	0.5
59.01382	4.6
61.98831	1.4
69.48721	3.5
71.01386	1.7
71.05029	0.7
73.02964	1.0
79.95750	1.3
83.46200	0.6
85.02936	0.6
89.02471	0.5
96.96021	36.6
101.02457	1.6
106.86180	0.5
109.02960	0.7
112.98820	1.2
113.02444	0.6
117.03467	0.8
117.05603	4.7
118.05936	0.7
120.99656	1.1
123.00871	0.6
125.02442	1.7
131.07085	0.5
133.02962	0.9
139.04047	0.8
145.02959	1.2
145.08652	1.1
157.08652	0.6
160.33994	0.5
161.02455	1.6
163.04076	0.5
169.01419	2.3
172.01797	1.1
177.01909	1.3
195.04572	0.8
200.01118	1.0
201.01849	0.8
211.04066	0.7
213.05698	0.6
216.00699	1.1
223.04037	0.8
228.00676	0.9
235.04036	1.2
238.02768	0.6
241.05026	0.9
242.99361	1.2
244.00066	1.2
245.00880	1.5
251.03462	1.2
263.03485	0.9
263.06030	0.6
267.03070	0.8
269.04306	0.6
270.98868	1.7
271.99448	1.1
273.00348	2.6
279.03094	1.8
281.04584	1.1
282.98895	0.7
295.02338	1.2
297.04294	1.2
298.16293	0.5
298.98517	2.9
299.99121	27.7
300.99811	5.6
305.00940	0.6
305.06885	1.0
307.02612	1.6
308.02957	0.5
309.00439	0.8
309.03949	1.2
312.99878	1.1
323.01880	1.4
324.99866	2.1
325.03687	1.3
327.08591	0.8
333.00204	0.9
334.01376	0.6
335.01984	2.6
341.02859	0.6
351.01492	4.0
352.99411	1.0
353.03247	1.2
363.01529	0.8
365.09131	1.8
369.02484	1.0
379.00980	12.3
379.05585	1.0
380.01437	1.9
381.02441	1.6
381.19168	1.2
390.00461	0.9
397.01971	2.2
407.00482	19.3
408.00839	2.8
425.01547	100.0
425.10315	14.9
425.21512	2.2
426.01898	16.9
426.11536	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	424.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.59724	0.5
69.86110	0.8
69.86523	2.1
78.59879	0.6
78.70641	0.5
85.28713	0.5
101.20772	0.5
111.35365	0.4
116.91546	0.5
220.91916	0.5
245.19179	1.3
249.32715	0.5
264.51767	0.6
361.23892	7.8
362.24292	0.9
425.23694	2.0
428.37363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18466	1.4
58.35872	1.5
60.79608	1.3
61.98835	100.0
69.67471	3.4
69.67892	7.7
82.10752	1.6
96.96015	2.6
210.40569	1.5
237.27881	1.6
295.70102	1.9
308.77924	1.4
425.26117	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	424.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.15616	0.7
71.60813	0.8
82.27071	0.7
96.18149	0.7
96.96037	4.7
101.01691	0.8
130.13605	0.7
424.25998	1.0
425.26840	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	425.0132
Annotation	Eschweilenol A
Peak:m/z	Relative Intensity
59.01371	0.4
61.98823	0.2
68.99816	0.2
70.04344	0.4
70.04745	0.4
71.01380	0.5
71.05019	0.3
72.99308	0.1
73.02901	0.2
78.95908	0.4
85.02944	0.2
87.00855	0.2
89.02413	0.2
95.01389	0.2
96.96010	0.4
100.56829	0.1
101.02470	0.3
101.06060	0.2
107.01400	0.1
111.00880	0.2
113.02425	0.2
115.04000	0.2
117.05585	2.3
119.05089	0.1
123.00841	0.2
125.02442	1.2
132.02206	0.2
133.02930	0.2
137.02466	0.2
141.01941	0.2
145.02945	0.3
149.02536	0.2
150.66974	0.2
151.04031	0.4
156.63940	0.1
160.01677	0.4
161.02477	0.4
163.00299	0.3
163.04068	0.2
167.05003	0.3
169.01460	1.2
169.02882	0.2
172.01611	0.8
173.02388	0.3
175.00307	0.2
175.04036	0.2
176.01096	0.2
177.01907	0.4
179.05153	0.2
182.28723	0.1
185.02438	0.2
188.01094	0.3
189.01968	0.4
190.99825	0.2
191.05066	0.2
192.00563	0.2
193.01396	0.3
195.04510	0.6
196.05099	0.2
197.06038	0.4
198.03391	0.2
199.00435	0.2
200.01128	0.5
201.01984	0.7
202.99719	0.2
204.00450	0.2
205.01282	0.2
207.04593	0.8
209.06091	0.2
211.03960	0.3
213.01863	0.3
213.05528	0.2
215.32411	0.1
216.00648	1.3
217.01305	0.5
223.04036	1.2
224.04381	0.2
225.05530	0.6
226.99873	0.3
228.00650	1.2
229.01370	0.6
229.05112	0.2
230.99335	0.3
232.00240	0.2
233.00763	0.2
235.04030	0.9
237.05708	0.2
239.03441	0.6
240.04088	0.3
241.05093	0.3
242.99384	0.7
244.00099	1.7
245.00905	1.5
250.02626	0.2
251.03477	1.7
252.04083	0.4
253.05095	0.7
254.02318	0.2
255.03044	0.3
256.00198	0.2
256.03674	0.2
257.00879	0.2
263.03540	1.0
263.05875	0.2
266.02127	0.3
267.02997	1.1
268.03534	0.3
269.00922	0.3
269.04550	0.6
270.98880	2.0
271.99554	1.4
273.00348	2.3
274.00858	0.3
277.01321	0.4
278.02289	0.3
279.02982	2.2
280.03491	0.5
281.01364	0.2
281.04471	0.9
282.01868	0.3
282.98804	0.7
283.02145	0.3
283.99567	0.4
285.00476	0.3
285.03815	0.2
289.01471	0.2
291.02805	0.3
294.01492	0.3
295.02521	1.8
296.02939	0.4
297.00574	0.4
297.03970	0.9
298.04449	0.2
298.98337	2.2
299.99109	25.7
300.99719	5.4
302.00180	0.5
305.00949	0.4
306.01712	0.5
307.02448	1.8
308.03183	0.5
309.00385	0.4
309.03989	0.6
310.01129	0.2
311.02002	0.3
313.00232	0.7
313.03183	0.3
313.06073	0.2
314.00674	0.8
319.02603	0.2
321.00464	0.4
322.01129	0.6
323.01935	2.5
324.02560	0.5
324.99857	1.7
325.03555	1.5
326.00400	0.4
327.01468	0.5
333.00323	0.6
334.01138	0.5
335.01965	4.0
336.02411	0.7
336.99869	0.3
337.03671	0.3
338.00754	0.3
339.01437	0.6
339.98544	0.4
340.02390	0.4
340.99237	0.7
341.02979	1.3
342.03076	0.2
349.00024	0.2
350.00540	0.3
351.01401	4.4
352.01785	0.7
352.99185	0.6
353.03076	1.6
354.03400	0.2
360.99887	0.5
362.00699	0.2
363.01385	1.3
364.02100	0.3
366.00314	0.2
367.00934	0.3
368.01242	0.2
369.02600	1.2
379.00946	15.9
380.01343	1.8
381.02667	1.0
382.02930	0.3
388.99347	0.4
390.00256	0.5
391.00842	0.3
397.02017	2.5
398.02274	0.4
405.99869	0.5
407.00443	19.1
408.00772	3.1
425.01517	100.0
426.01822	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	424.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.31969	0.8
68.69661	0.7
69.92824	3.1
91.84348	0.6
109.06580	1.2
139.03972	0.9
153.04449	0.8
153.05579	3.6
162.95984	0.7
322.58160	0.9
361.20474	1.3
424.22342	1.8
425.23312	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	424.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43763	3.6
61.98838	100.0
70.28893	13.4
80.03232	4.3
81.03451	3.9
95.05050	9.9
96.96008	8.7
119.02634	3.8
123.04545	35.1
125.02480	5.9
133.78116	4.2
162.00449	4.3
178.97716	3.4
184.14079	4.3
204.08003	3.7
257.26642	4.0
299.20267	5.8
339.23129	10.5
350.11734	3.9
361.23871	9.9
381.24365	79.1
383.22278	5.6
395.93585	3.9
404.23508	3.8
425.23010	62.6
425.32779	8.1
429.87964	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	424.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79230	1.0
55.28799	1.1
61.98836	100.0
69.63631	7.4
81.03449	3.2
96.95993	1.2
115.05468	1.1
123.04512	1.8
125.02420	1.7
169.02008	1.2
187.10005	1.2
317.24707	8.1
318.25079	2.4
323.73843	1.2
329.68561	1.3
361.23840	32.9
362.24188	5.0
398.98077	1.2
425.23706	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	424.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.60625	2.1
72.65810	0.7
74.21401	0.8
100.85692	0.7
137.11888	0.7
139.04042	2.9
181.05051	1.3
207.03030	1.6
208.53470	0.8
293.22263	1.0
352.16507	0.7
361.20123	0.8
383.76807	0.8
424.23129	0.7
425.23395	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	424.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28484	1.2
57.03452	1.8
59.01402	1.5
59.26533	1.3
61.98834	100.0
69.47227	10.4
74.87090	1.5
78.85545	1.3
83.05026	1.8
84.08491	1.3
97.77063	1.3
125.02470	1.8
135.71527	1.3
209.11847	10.4
210.12170	9.3
213.14960	1.8
228.13261	2.2
383.22150	3.2
409.31116	1.9
423.32468	4.3
424.27631	9.1
424.33057	7.4
425.23364	15.8
425.28690	2.6
425.34232	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	424.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
61.98836	100.0
64.44842	1.3
69.33602	1.4
69.46809	6.7
69.47221	2.5
84.72186	1.4
95.05021	1.9
139.03992	5.0
159.39502	1.3
282.17267	1.3
289.14532	1.7
302.70169	1.3
361.15845	2.3
361.20178	33.7
362.20377	3.9
425.23218	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	424.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35424	1.2
61.98838	100.0
69.52194	2.7
69.52602	6.1
76.52838	1.2
93.50235	1.1
98.20586	2.2
109.60944	1.1
115.03971	1.1
128.09087	1.4
142.59152	1.1
160.90208	1.2
168.57698	1.2
209.11818	1.4
212.67584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2754
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
55.01887	2.2
57.03436	7.3
57.30184	2.0
68.81724	2.2
69.54467	15.0
69.82302	1.8
71.05009	4.0
71.85429	1.9
79.01898	8.5
81.03427	3.6
85.02956	68.9
87.00870	6.3
93.25989	2.1
95.05032	11.3
99.04518	9.4
103.71400	2.1
109.12673	2.0
118.80332	1.9
123.04527	41.0
125.02473	18.4
136.05309	5.0
138.03255	6.0
139.04019	2.7
141.05557	8.3
149.09659	2.9
151.00351	8.6
154.02829	2.4
166.02737	4.0
167.03482	7.7
170.02177	3.8
186.66553	2.0
191.59814	2.3
247.59772	2.4
279.23312	23.6
280.23743	4.5
281.24796	2.9
291.26987	15.0
309.27917	3.7
319.26596	10.8
322.73166	2.2
323.25961	15.2
324.26401	2.2
333.27924	3.2
345.24249	2.4
361.27502	62.9
362.27798	9.0
363.25403	100.0
364.25824	17.0
379.28394	7.3
403.78409	2.2
405.26453	19.8
406.27255	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	424.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.1
61.98831	100.0
66.93748	2.4
69.54688	10.8
69.55103	7.7
70.23877	2.0
78.94589	2.3
78.95918	3.1
85.66060	3.0
95.43081	2.3
98.01402	2.5
110.01292	2.5
111.04527	2.9
113.02402	3.8
123.04491	3.8
125.02453	5.8
142.35782	2.6
151.00391	7.0
177.01978	3.2
301.14594	16.8
308.14874	3.0
361.16531	46.6
361.20712	3.2
362.16849	7.0
424.21112	3.3
424.27786	5.4
425.01172	2.9
425.23520	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
61.98833	79.0
69.90554	1.7
71.05029	0.7
79.77534	0.3
80.02692	1.4
81.03465	1.5
83.05025	6.6
84.02170	1.5
84.05406	0.3
95.05047	0.9
98.19838	0.4
109.06628	0.4
125.06150	0.6
125.09708	0.4
129.47061	0.4
135.08197	0.6
139.04021	0.4
163.11287	5.2
164.11639	0.4
165.12846	2.9
166.13327	0.3
181.12463	0.8
183.13887	2.1
191.10815	0.9
195.13927	8.5
196.14301	0.5
205.28310	0.3
209.11844	100.0
210.12183	6.5
213.14975	15.6
214.15344	1.2
227.12904	12.3
228.13248	1.0
272.71326	0.3
291.07980	0.3
360.18866	1.4
361.20230	1.3
385.83096	0.3
405.26224	1.7
422.99820	0.6
423.27390	6.4
423.32663	0.9
424.22018	0.4
424.27747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
58.00590	0.6
59.01379	0.7
61.98829	0.7
65.00326	0.7
69.03446	0.3
69.86236	0.9
73.02947	0.6
73.41311	0.2
79.01885	0.3
81.03462	11.8
82.03796	0.4
83.01397	2.0
83.05028	0.8
85.06598	1.1
97.02940	0.3
97.06583	0.7
98.45746	0.2
107.01411	0.8
107.05019	0.8
109.06602	3.8
111.04532	1.1
111.35828	0.3
122.03736	0.8
125.02454	21.5
125.09722	0.5
126.02782	0.7
132.09779	0.2
136.05292	0.3
139.11253	0.4
141.12881	4.4
142.13222	0.3
151.00412	1.1
153.05589	9.8
153.12926	0.4
154.05916	0.6
155.14450	0.4
169.12343	0.9
169.15976	0.4
171.13895	2.4
179.03568	0.2
185.15453	0.3
189.12881	0.5
207.13956	0.8
208.10069	0.2
235.13409	1.1
265.14673	0.5
277.25449	0.4
279.23312	0.4
295.26468	0.7
297.24408	1.1
311.25714	0.4
337.27460	4.7
338.27774	0.6
343.26532	0.3
361.27383	0.8
377.27026	0.6
378.28043	0.3
379.28494	2.4
380.29129	0.3
381.26880	0.3
405.26456	0.4
423.27536	100.0
424.27878	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	423.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
58.00589	0.5
58.27412	0.2
59.01373	0.8
65.00332	0.8
65.66380	0.2
69.03465	0.4
69.88833	1.4
73.02946	0.4
81.03467	12.2
82.03791	0.2
83.01398	2.4
83.05019	1.3
85.81397	0.2
95.01402	0.3
95.05018	0.5
97.06594	0.5
99.04507	0.4
105.49216	0.3
107.01411	1.2
107.05063	0.7
109.06594	0.6
122.03731	1.3
123.04510	0.4
125.02458	23.9
125.06068	0.5
125.09735	0.7
126.02778	0.9
136.05310	0.4
137.09784	0.3
139.11336	0.5
141.12889	5.5
151.00381	1.4
153.12823	0.4
155.10782	0.3
159.23233	0.3
165.12859	0.6
169.12314	1.3
169.15840	0.2
171.13922	1.9
177.12877	0.3
185.15462	0.3
207.13882	1.0
219.14003	0.2
235.13374	2.2
265.14462	0.9
277.25336	0.7
279.23270	0.3
295.22974	0.3
295.26398	0.4
297.24414	0.7
301.05792	0.2
311.25983	0.4
335.25745	0.3
337.27515	3.5
338.27856	0.5
343.26428	0.6
361.27472	1.1
368.76450	0.3
377.27011	1.1
379.28711	1.5
380.29028	0.4
381.26447	0.3
405.26642	0.5
423.27560	100.0
424.27893	14.2
444.85162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96215	0.4
57.03454	4.3
59.01365	0.8
61.98837	6.7
65.00343	1.1
69.53237	3.0
71.85130	0.4
74.93560	0.4
75.00252	0.4
79.20824	0.5
81.03458	10.8
83.01400	2.3
83.05019	1.1
95.05016	0.5
107.01375	0.5
109.06590	0.7
122.03717	1.7
123.08161	1.0
125.02453	23.9
126.02782	0.8
127.11295	5.4
135.08330	0.5
139.11299	0.6
141.09224	1.0
141.12924	0.5
151.00360	1.1
153.05557	0.8
155.10738	0.5
157.12341	1.9
167.46114	0.4
183.13908	0.9
207.13933	0.4
209.11801	0.9
221.15614	1.0
240.56477	0.4
249.14914	2.2
277.25345	0.7
279.16080	1.0
279.23459	0.5
295.26401	0.6
297.24536	0.9
337.27591	4.1
338.27667	0.5
341.27722	0.5
343.26376	0.9
361.22809	0.5
361.27322	0.7
377.26883	1.2
379.28632	1.7
393.27957	0.5
407.29242	0.6
422.99957	0.9
423.27570	100.0
423.32709	10.9
424.21994	0.7
424.27902	14.7
424.33145	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.0
57.03458	7.8
58.00607	2.3
59.01383	39.5
59.79851	0.9
61.98828	1.3
69.03466	3.0
69.26164	7.1
69.26585	3.0
71.01385	64.0
72.99316	2.7
73.02541	1.9
73.02953	37.6
75.00874	1.2
81.03458	7.3
83.01396	15.7
83.05016	1.2
85.02957	38.4
85.06566	1.7
86.00118	2.9
87.00899	4.7
89.02451	12.6
93.00136	1.0
95.01410	7.1
95.05034	4.6
96.96027	2.7
97.02961	3.9
98.19907	2.0
99.00891	12.7
99.04547	2.2
101.02449	69.7
102.02743	1.3
111.00926	2.4
113.02457	23.7
115.04045	2.4
119.03437	0.9
120.35481	1.0
125.02454	45.9
126.02797	1.9
127.11339	1.3
129.01904	1.2
131.03540	5.2
143.03459	2.1
149.04567	1.9
151.00395	1.2
151.88390	0.9
153.05580	12.6
159.02959	4.5
161.04573	22.3
163.07704	1.1
166.02757	1.1
179.03482	2.8
180.04245	1.2
191.05672	1.4
218.14417	1.1
219.13861	2.7
233.06711	3.7
263.12988	2.7
269.98108	1.4
285.00266	1.3
291.18146	100.0
292.18460	9.4
293.08826	2.1
297.97537	6.5
298.98022	1.2
312.99835	10.7
328.02283	12.7
343.04538	17.9
344.04605	1.5
351.01523	2.0
379.00882	3.7
379.21490	1.3
423.00104	6.4
423.22147	98.7
424.00162	1.5
424.22049	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68973	0.7
51.49788	0.6
53.66270	0.6
55.01883	6.4
57.03452	4.8
58.00566	2.5
59.01385	36.6
69.03439	2.1
71.01391	69.8
72.01714	0.9
72.99319	3.4
73.02956	38.2
75.00848	2.1
79.95708	1.0
81.03440	1.5
83.01398	16.5
84.02159	0.8
85.02962	38.6
86.00085	3.0
87.00880	4.5
89.02448	12.3
91.76337	0.6
95.01395	5.2
96.96025	3.4
97.02933	3.1
99.00892	13.6
101.02454	68.8
102.02811	1.5
106.21159	0.6
111.00849	1.8
113.02467	26.6
115.03979	2.4
125.02457	7.0
126.02706	0.7
129.01920	1.9
131.03510	4.4
138.03273	1.2
143.03488	4.1
149.04532	1.8
153.05533	2.5
159.02989	5.0
161.04567	27.0
169.01425	1.0
197.28035	0.7
199.13319	0.9
205.03575	0.9
229.17184	0.8
233.06615	2.6
237.17593	0.7
286.35449	0.7
291.18155	100.0
292.18576	9.4
293.08862	1.4
327.74136	0.7
335.17355	1.1
346.79932	0.7
351.01587	1.0
379.01065	2.3
423.00064	10.2
423.22424	94.9
424.00204	2.3
424.22739	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	423.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18369	0.5
55.01884	0.4
55.08460	0.5
57.03450	0.6
57.36199	0.3
59.01380	0.8
61.98829	0.8
64.44542	0.4
71.01388	0.9
71.61219	0.4
73.02928	0.5
79.95752	6.9
80.96542	0.4
83.01367	0.6
85.02966	1.4
87.00872	0.4
94.26177	0.4
95.95238	4.7
96.96018	100.0
98.95565	0.4
99.00887	0.6
99.04523	0.6
110.02435	0.6
111.00871	0.5
113.02466	0.5
115.37621	0.4
121.49564	0.4
123.04588	0.5
125.02495	2.8
126.56541	0.4
139.04041	0.5
144.70723	0.4
151.04022	1.2
153.05609	1.3
165.05533	0.4
193.54129	0.4
213.14980	3.9
221.08536	0.7
265.11282	1.1
321.17636	0.5
335.18640	2.2
336.12091	0.4
343.25000	0.9
351.01501	0.9
363.17914	0.8
379.00998	1.5
393.23175	20.7
394.23486	2.6
405.19189	0.8
423.00223	2.3
423.24338	91.2
424.00812	0.8
424.24713	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2755
Annotation	CHEBI:66415
Peak:m/z	Relative Intensity
54.16898	1.2
57.03429	3.1
57.40825	1.0
59.01381	7.4
59.24805	0.9
61.92269	0.9
61.98803	3.3
69.03447	1.5
71.01363	1.9
71.05004	1.2
73.02929	3.6
78.95926	1.6
79.01876	1.4
81.03428	2.1
83.01371	3.2
83.05035	1.3
85.02957	100.0
86.03279	1.8
87.00884	27.7
95.04994	1.7
97.02955	2.3
97.84467	1.0
99.04512	7.3
100.04830	1.1
111.00906	7.9
111.04477	3.4
113.02459	1.3
115.04059	5.2
123.04510	6.4
125.02462	8.2
138.03151	3.3
139.03989	6.1
139.04848	1.1
141.05576	1.5
143.03549	7.6
151.00339	1.2
152.99548	2.3
167.02165	1.2
167.03493	22.0
185.04568	13.2
226.12666	1.1
255.23329	5.4
279.23334	12.4
279.26364	1.7
281.24710	2.7
282.24942	1.1
323.25894	46.0
324.26385	7.4
363.25430	37.7
364.25504	5.0
396.33160	1.2
405.26370	5.1
423.27301	81.0
424.27737	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	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28795	1.7
57.69765	1.5
59.01384	100.0
69.47629	11.6
71.01379	15.6
71.05022	4.0
72.99302	3.3
73.02940	3.4
74.02476	1.9
74.99101	3.0
75.00871	1.7
82.64930	1.5
83.01359	2.1
85.02948	5.6
87.00880	2.5
87.04520	45.9
89.02448	13.7
94.21377	1.4
95.01389	3.6
96.96001	3.3
97.02956	1.5
101.02460	12.2
103.04015	2.1
106.10367	1.6
107.01384	3.8
108.02184	2.8
109.02962	6.6
111.00905	1.5
113.02453	10.4
117.05594	11.4
119.03480	6.1
120.99676	2.6
123.00919	7.2
123.04502	2.4
124.04877	1.8
125.02452	15.5
131.07146	2.0
135.04527	1.7
137.02412	2.1
137.06088	1.7
139.00328	3.1
139.11314	8.1
140.01164	1.7
149.02444	1.8
149.04460	1.9
150.03195	2.4
151.00369	5.8
161.02350	1.7
161.04526	3.4
163.04050	1.6
165.05525	5.9
169.01434	18.6
175.97876	2.8
179.03593	1.5
179.05704	2.1
195.06584	3.8
201.11348	70.8
202.11604	5.2
225.11305	6.4
243.12411	2.7
261.00372	1.8
313.05466	3.1
329.90524	1.9
363.16342	1.9
375.14459	3.4
375.41763	1.5
376.99329	1.5
387.09348	7.3
422.99847	3.9
423.09653	36.1
423.15671	5.9
423.25763	1.9
424.09772	4.8
432.64944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03453	8.5
57.87661	0.4
58.00592	0.5
59.01389	5.8
61.98824	0.9
65.00333	0.6
69.03476	1.8
71.01395	5.3
71.62074	0.5
73.02962	3.8
74.07954	0.4
78.19970	0.4
81.03465	8.7
83.01395	4.8
83.05051	1.3
83.33743	0.4
84.02194	0.6
85.02959	9.4
89.02448	0.8
93.03517	0.5
95.01386	5.5
95.05051	2.6
95.05575	0.4
96.96032	2.0
97.02969	2.0
97.06595	0.5
99.00887	0.5
99.04520	0.9
101.02451	5.2
101.06120	0.8
107.01449	0.6
109.06576	0.6
111.00903	0.8
111.04547	0.5
113.02465	1.7
118.54730	0.4
122.03741	1.2
123.00868	2.8
123.04530	0.5
124.01675	5.4
125.02457	77.7
126.02772	3.5
132.85039	0.4
135.04520	0.5
137.02443	0.8
137.09795	0.4
138.03271	0.4
139.00372	0.7
149.41309	0.4
151.00394	4.1
152.01178	6.8
153.05588	3.3
153.12842	0.6
155.10870	0.4
158.96500	0.4
161.04552	1.8
165.01868	0.4
166.02718	3.9
177.12849	1.2
179.03496	9.5
179.07098	0.5
179.10745	0.9
180.04155	1.7
184.25777	0.4
193.05029	1.6
195.13904	1.1
207.06621	2.6
208.07365	1.2
212.03288	0.8
219.13907	4.4
223.13225	0.4
240.06245	0.5
261.11313	0.4
262.12057	0.9
263.12888	3.6
269.98059	2.8
285.00415	3.2
287.16470	0.6
291.12375	0.7
291.18143	7.4
292.18558	0.7
297.97546	8.8
298.97806	1.0
312.99902	16.2
314.00174	2.6
328.02264	16.6
329.02591	2.3
343.04611	26.6
344.04922	3.6
349.16522	0.5
351.01434	1.0
367.87469	0.4
379.00714	1.3
380.01291	0.7
423.00287	4.6
423.20166	100.0
424.00278	0.8
424.20465	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	423.2031
Annotation	Nigakilactone H
Peak:m/z	Relative Intensity
50.80173	0.3
53.59009	0.3
57.03449	6.4
59.01381	4.5
61.98843	0.5
65.00338	0.9
67.01885	0.4
67.43636	0.4
68.99861	0.4
69.03459	2.3
71.01025	0.3
71.01385	2.0
71.05028	0.6
71.61073	0.5
73.02944	1.5
79.95750	0.6
81.03465	7.7
82.03819	0.4
83.01394	2.9
83.05032	1.5
85.02957	5.1
85.06571	2.0
87.00890	0.4
95.01388	4.8
95.05035	3.8
96.96027	2.2
97.02953	2.8
97.06599	0.8
99.04497	1.3
101.02410	0.5
101.06065	0.5
107.01373	0.7
107.05094	0.4
109.02919	0.4
109.06608	1.1
111.00877	1.2
111.04536	1.0
113.02542	0.5
121.06580	0.4
122.03722	0.5
123.00871	2.3
123.04505	0.6
124.01668	3.4
125.02452	61.4
126.02781	2.1
131.07150	0.4
135.04507	0.7
135.06696	0.3
136.05257	0.3
137.02512	0.4
137.09706	0.5
139.04034	0.8
139.11528	0.3
141.30707	0.3
149.06061	0.4
151.00398	2.5
151.03946	0.4
152.01154	3.9
153.05577	12.0
154.05927	0.8
161.02431	0.4
163.00269	0.4
163.07594	0.4
166.02731	2.9
169.01479	0.3
177.12860	1.2
179.03496	6.6
179.10822	0.9
180.04207	1.9
189.12943	0.4
193.05099	1.3
194.05890	0.5
195.13873	0.7
207.06604	2.8
208.07356	0.9
212.03297	0.4
219.13881	3.6
220.14319	0.5
223.09750	0.9
261.11313	0.6
262.11932	0.8
263.12891	3.2
280.13263	0.4
291.12320	1.1
291.18231	0.9
321.13721	0.7
328.02246	0.4
343.04471	0.5
349.16663	0.7
351.01443	1.1
363.24054	0.4
367.01236	0.5
376.99347	0.3
379.00943	2.0
379.21198	0.8
381.19360	0.5
391.17618	1.3
423.00027	5.9
423.20215	100.0
424.00317	1.3
424.20554	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	423.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20381	1.6
59.01387	25.2
61.98820	4.7
69.63963	10.4
71.01395	8.5
71.05039	3.2
72.99338	2.5
75.00881	3.7
83.01365	1.9
84.70743	1.8
84.99332	3.1
85.02971	4.7
88.06335	1.7
89.02464	3.2
93.03469	4.9
95.01430	2.1
96.96003	7.5
98.19962	3.5
98.40423	1.6
99.04520	2.6
101.02438	5.5
107.01411	8.7
108.02197	3.6
109.02958	100.0
110.03291	5.6
111.00862	2.2
111.01966	1.8
112.98798	15.6
113.02480	1.7
113.06119	3.1
114.98581	1.7
117.05582	17.3
119.04970	1.9
121.02961	6.7
122.03740	12.7
123.00910	10.0
123.04557	1.9
125.02460	41.7
126.02768	2.0
131.07153	1.9
133.02962	3.5
135.04573	2.1
136.01707	1.6
137.02420	10.1
139.00391	5.2
147.04657	1.8
149.02451	53.5
150.03230	90.5
151.00368	6.2
151.04024	8.6
152.04771	5.2
157.08720	18.9
161.02371	2.2
163.04065	2.0
164.04745	13.3
165.05576	97.6
166.05908	4.7
167.03580	2.6
169.01425	55.3
170.01770	3.8
175.02725	1.9
176.03552	4.5
179.03433	2.1
180.04237	5.4
193.05124	2.5
195.06636	57.5
196.06956	3.6
201.11391	6.7
212.06822	10.7
227.09253	30.1
228.09561	1.8
299.99326	1.9
300.10126	6.6
300.99640	2.4
313.05624	28.8
314.06021	2.0
315.12265	9.2
360.12106	2.4
375.14484	38.5
376.14758	5.2
387.13049	7.8
423.00162	3.9
423.09363	78.2
423.18350	13.2
424.00812	2.9
424.09753	11.2
424.19214	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	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48265	0.4
57.03437	1.0
59.01383	57.1
60.01709	1.6
61.98827	1.4
65.16309	0.4
69.85305	1.4
71.01393	4.9
71.05030	9.6
72.99325	0.5
73.02950	1.0
75.00877	1.8
82.68619	0.4
85.02958	1.8
87.00888	0.7
89.02461	1.8
96.96025	1.3
99.04517	2.3
101.02438	3.3
101.06088	0.6
109.02953	1.2
112.98807	1.6
113.02438	2.3
113.06101	1.3
117.05585	100.0
118.05920	3.0
118.98080	0.5
119.03503	1.6
120.99667	0.5
122.03735	1.0
125.02446	1.8
125.06133	0.5
131.07164	1.8
143.07141	3.3
147.02994	0.5
149.02446	2.3
150.03227	8.6
151.04007	0.7
157.08705	1.7
159.06644	6.0
161.04594	1.4
164.04839	1.0
165.05566	10.2
169.01471	1.1
173.11876	0.9
175.02678	0.5
176.03572	2.5
179.07178	1.9
180.04405	0.4
189.07701	3.2
195.06641	6.8
219.08765	1.1
305.12512	2.5
342.07773	0.5
422.99872	0.9
423.18777	35.0
424.13092	0.6
424.19086	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	423.003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70698	0.5
57.03448	0.8
57.30032	0.4
59.01363	1.3
61.45079	0.4
71.37959	1.1
73.02934	0.4
81.03442	0.8
83.01369	0.4
84.73420	0.4
85.02938	1.0
85.20136	0.5
90.23783	0.4
95.05023	0.5
96.95995	3.2
113.02361	0.5
125.01609	0.8
125.02454	8.7
144.22583	0.5
148.21173	0.5
151.00404	0.5
152.01308	0.5
153.05513	0.5
179.03535	0.9
254.99458	0.8
257.00876	1.1
269.01245	0.5
269.98068	9.5
270.98389	0.6
271.02557	0.8
285.00397	11.3
286.00900	1.1
297.00540	0.5
297.97559	38.8
298.97879	4.0
299.01639	1.0
312.99915	66.2
314.00241	6.6
327.01553	0.8
328.02252	68.6
329.02557	7.7
343.04593	100.0
344.04956	11.5
379.01407	0.6
423.00262	6.9
423.06729	1.0
423.11761	0.9
423.20023	10.9
424.20230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16517	0.3
55.01915	0.8
57.03492	0.4
59.01383	4.3
62.79509	0.4
65.00363	0.5
65.04004	1.0
69.03508	0.5
69.52853	0.3
70.50102	1.4
71.01387	11.8
72.99345	0.7
73.02950	2.1
78.95918	0.9
79.01940	0.6
81.03506	0.9
83.01394	1.9
85.02950	3.7
87.00929	1.4
89.02506	1.6
89.04022	1.0
91.05532	2.0
93.03515	1.5
95.01441	1.5
95.05065	1.0
96.96047	0.9
96.97029	1.4
97.03008	1.2
99.00909	0.8
101.02449	4.8
101.04015	1.1
103.04028	0.8
105.03471	6.7
107.01405	0.7
107.05029	1.9
107.19357	0.4
108.02227	0.7
109.02953	2.6
111.00889	0.8
113.02450	3.2
117.03448	4.3
119.01463	0.5
119.05039	6.9
121.02960	2.0
122.03769	1.6
123.00888	2.2
123.04572	1.1
124.01719	0.5
125.02447	4.3
129.03500	1.0
131.01453	0.4
133.02969	10.1
133.06630	0.4
134.03381	0.6
135.00908	0.4
135.04536	14.7
136.04901	0.9
137.02446	2.6
137.06172	0.6
139.00409	1.2
139.04076	0.7
141.01964	0.5
143.03552	1.0
143.05121	0.4
145.02959	11.1
146.03766	1.4
147.00932	0.5
147.04535	10.1
148.01721	0.6
148.04964	0.7
149.02466	2.3
150.03204	0.6
151.00421	1.2
151.04015	0.5
158.03729	0.5
159.04530	1.7
161.02458	27.0
161.06079	0.7
162.03223	3.8
163.00363	3.0
163.04024	33.4
164.01195	2.7
164.04385	2.6
165.01926	1.9
165.05603	4.4
169.01457	4.6
173.02458	7.1
173.06097	0.7
174.03146	1.4
175.03970	2.9
176.01181	1.2
176.04594	0.4
177.01935	2.2
177.05589	0.3
179.03561	1.4
183.04550	0.6
187.00397	0.8
187.04018	1.6
188.01096	0.7
189.01953	28.3
189.05620	1.4
190.02711	13.2
191.03514	100.0
192.00713	0.7
192.03839	6.5
193.01425	1.4
193.05077	2.2
199.03981	1.0
201.01993	0.6
201.05518	0.6
202.02864	0.5
203.03539	3.7
203.06924	0.5
204.04257	1.8
205.01427	3.3
205.05005	1.8
206.02153	1.2
206.99272	0.4
207.03004	6.3
209.00970	0.6
209.04546	3.7
211.02446	0.7
213.02026	0.7
214.99950	0.4
215.03563	2.3
216.00621	1.2
217.01436	16.3
217.04814	3.3
218.01985	1.6
218.05565	0.5
218.99306	0.9
219.03021	3.1
221.00966	0.4
221.04568	0.5
222.01511	0.6
227.03447	0.8
229.01366	1.2
229.04945	0.7
230.02167	0.8
231.02979	5.4
231.06534	0.4
232.00127	0.5
232.03619	1.5
233.00967	2.8
233.04561	1.9
234.01750	3.4
235.02473	50.5
236.02831	3.7
237.04016	2.2
242.99352	0.6
243.02998	1.0
244.00108	0.4
245.00818	1.1
245.04488	2.1
245.30072	0.4
247.02417	2.1
247.06087	0.4
248.02835	0.6
249.03972	0.5
255.02910	0.6
259.02493	3.3
259.99606	0.6
260.02863	0.7
261.00400	55.6
261.03687	1.6
262.00806	5.2
263.02011	1.1
263.05508	0.4
273.04242	0.5
275.01917	2.3
275.04971	0.6
276.02475	0.5
277.03549	5.5
278.03760	0.5
279.01361	0.6
283.02521	0.5
289.00531	0.6
289.03510	5.3
290.03903	0.6
300.99939	0.4
301.03415	0.5
303.01550	2.7
304.01544	0.4
305.02756	0.6
307.04602	2.9
308.04913	0.6
313.05569	0.7
314.20053	0.3
317.03043	0.5
319.00989	0.8
319.04605	14.2
320.01633	0.4
320.04892	1.5
320.11838	0.4
321.02405	0.6
327.25250	0.4
333.02463	2.3
333.05826	0.6
335.04184	2.3
361.05499	0.6
363.03604	19.2
363.08231	1.0
364.03864	2.2
379.01736	0.9
379.06714	20.8
380.07184	2.4
423.05383	33.5
424.05737	3.9
424.10812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.54295	2.3
69.60130	6.9
69.60544	8.8
98.20617	3.6
188.88652	2.4
220.82056	2.4
288.66705	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	422.9999
Annotation	Eschweilenol B
Peak:m/z	Relative Intensity
59.01380	0.7
59.34908	0.4
60.99069	0.3
61.98813	0.4
69.40837	3.2
69.41164	0.7
71.01373	1.2
72.27122	0.3
72.59821	0.4
79.95732	0.6
85.02946	0.7
86.03297	0.4
94.80350	0.3
96.96023	2.5
101.02457	1.0
113.02432	0.4
125.02457	1.2
161.04475	0.5
169.01419	0.5
183.04504	0.6
189.38303	0.4
195.04495	1.2
206.88725	0.4
207.04486	0.6
211.03990	1.2
223.04033	1.4
235.04054	0.8
237.01842	0.7
239.03546	1.2
251.03436	1.4
254.02249	0.5
255.35936	0.4
265.01486	0.8
266.02301	0.7
267.03128	1.9
277.01563	0.4
279.02957	0.7
282.01688	0.7
283.02271	0.4
290.16968	0.6
293.00937	0.8
294.01584	0.4
295.02429	2.4
299.99063	1.0
305.00970	0.6
306.01669	0.4
307.02319	0.4
309.00314	0.6
311.01935	0.8
321.00394	1.5
322.01190	1.1
323.01907	2.3
334.01126	0.6
335.01993	2.2
336.99747	0.5
338.00497	1.5
339.01474	2.7
348.99744	1.7
350.00693	1.6
351.01505	6.1
352.01819	0.7
355.45459	0.4
367.00888	2.8
368.01187	0.5
376.99408	9.9
377.99722	1.6
379.00919	5.7
380.01056	0.9
386.81454	0.4
395.00180	2.0
404.98972	1.2
405.99625	1.8
422.21222	1.1
422.99954	100.0
423.20483	1.6
424.00311	15.4
424.04849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.9997
Annotation	Eschweilenol B
Peak:m/z	Relative Intensity
59.01365	1.7
61.98828	0.9
69.27893	5.4
69.28298	0.9
71.01399	0.6
72.22057	0.6
82.84044	0.6
91.37723	0.6
96.95986	1.3
101.92160	0.6
103.04000	2.9
107.46821	0.6
117.03455	0.6
120.99673	1.0
125.02458	0.8
145.02943	1.1
155.78006	0.6
167.04985	1.8
175.02727	2.6
176.03522	6.1
183.04478	0.7
195.04466	3.0
211.03978	1.4
212.53741	0.6
223.04042	4.1
239.03506	3.0
251.03458	4.6
267.02899	2.9
267.10352	0.6
278.02304	0.8
279.02945	2.4
295.02502	6.3
299.99133	1.1
307.02420	0.9
323.01971	5.4
334.01279	1.3
335.01984	1.1
350.00757	2.9
351.01453	34.5
352.01736	4.1
363.20264	0.8
379.00955	100.0
380.01309	13.7
422.99948	34.2
423.20676	1.0
424.00293	5.2
424.12518	3.7
428.89252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96697	1.0
57.03442	2.2
59.01368	1.7
60.17063	1.0
61.98834	100.0
62.60251	1.0
71.05035	4.9
71.59486	1.1
74.27322	0.9
79.01894	1.2
81.03468	3.6
82.15970	1.0
83.05032	1.1
85.06599	3.2
93.03393	1.0
95.05048	1.8
97.02952	1.0
99.08154	3.6
109.06580	3.3
111.04519	2.2
122.33961	1.0
125.02438	6.7
126.02811	1.7
129.09232	2.3
134.57301	1.0
139.04007	6.2
153.05580	17.9
154.05902	9.0
163.11298	1.0
165.01933	1.3
195.13982	1.6
209.11806	10.2
213.14940	1.3
359.18631	24.1
360.19009	2.8
369.30200	1.2
380.77332	1.1
421.25980	1.7
422.26355	53.8
422.99786	2.6
423.26810	6.2
423.32004	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	422.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62907	1.4
57.03469	1.5
59.01368	1.7
61.07474	1.7
61.98834	100.0
64.12724	1.7
74.10793	1.7
79.60330	1.4
81.03458	3.7
85.02956	25.4
87.00890	8.9
98.19804	2.5
111.00864	2.9
125.02431	5.8
143.03510	2.5
167.03484	4.5
176.42755	1.6
239.76282	1.5
279.20248	1.5
279.23434	2.6
315.23315	7.2
323.25949	10.6
359.22241	35.1
360.22620	5.4
363.25558	9.3
405.26297	1.6
423.27567	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.76080	2.2
69.76511	3.0
85.90462	0.8
98.20557	1.0
100.91584	1.1
147.47531	0.9
155.35893	0.8
222.02010	1.0
248.93184	0.8
303.00653	0.9
317.29797	0.8
340.42706	0.8
359.18573	1.1
360.54694	1.0
361.74109	1.0
422.26410	1.3
422.33392	1.0
423.27490	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	422.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01380	2.3
60.06277	1.5
61.98835	100.0
68.89468	1.4
69.66550	10.1
81.03452	7.9
83.01379	2.2
83.90657	1.6
125.02440	17.0
132.82518	1.4
139.04027	2.8
141.09256	2.7
141.12880	2.3
153.25800	1.4
171.25760	1.6
243.52490	1.4
337.27539	2.9
342.12622	1.5
363.21616	2.9
379.28397	2.4
418.05420	1.5
422.26031	4.6
423.27597	74.2
423.32925	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	422.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.6
59.01375	4.2
61.98835	100.0
71.60620	4.3
81.03464	6.9
83.01424	3.6
84.17683	2.1
85.02934	3.2
104.99682	2.2
125.02451	33.1
126.02789	4.1
127.04070	2.7
139.04073	1.9
153.05533	4.2
154.05963	3.5
163.11366	2.5
290.36472	2.3
350.41638	2.1
351.88907	2.1
379.01251	3.4
379.28500	3.0
422.25604	61.2
422.99872	7.2
423.27609	27.3
423.32919	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	422.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.1
57.09556	1.4
58.02988	3.3
59.01386	43.6
61.98826	3.8
64.96940	1.9
68.02283	1.6
69.74342	4.6
69.74743	3.9
71.01388	11.6
73.02959	2.6
74.02499	11.5
74.99106	4.3
78.95906	3.9
82.03000	1.6
82.28677	1.6
83.01385	3.4
83.05013	2.2
85.02946	3.7
85.06573	1.8
86.02491	3.4
87.00900	1.9
87.05644	3.2
89.02448	9.4
90.00206	1.7
95.01378	3.5
96.96020	8.1
96.96955	5.5
97.03048	1.6
98.19936	1.8
98.89051	1.8
99.05655	11.7
101.02445	7.5
101.06087	1.9
107.01397	3.3
109.02974	4.4
111.00835	2.7
112.04083	1.9
113.02482	4.3
117.05576	6.6
119.03480	1.9
120.99677	4.0
121.02982	3.7
123.00887	2.8
125.02460	36.2
127.05161	1.6
128.03548	25.4
131.07153	3.4
137.02457	1.9
139.04019	1.8
143.04620	40.6
143.07143	2.9
145.02966	2.3
149.02466	7.5
149.09694	1.9
150.03212	1.9
150.10095	2.2
151.00342	10.8
153.00189	2.9
153.01974	4.2
153.06804	1.8
160.00694	9.4
161.02489	2.6
165.05522	2.7
166.09938	1.7
167.04688	2.4
167.10760	5.3
168.11124	5.1
169.01511	9.5
170.03329	1.8
173.02489	2.7
175.00421	8.7
176.01115	5.2
177.02007	1.5
177.03419	3.0
178.99866	9.5
179.04640	4.3
180.99683	7.5
181.05081	2.7
183.01212	8.1
187.00307	1.7
187.03932	2.2
191.03430	2.3
193.78792	1.6
195.06598	2.2
207.01242	5.1
208.99142	100.0
209.99438	4.7
210.08855	6.4
211.03998	2.0
215.03578	1.7
231.01299	7.7
239.03230	1.5
249.02054	2.8
254.07817	7.5
272.08917	16.6
273.02237	2.4
273.09277	1.9
283.02487	7.7
284.03207	2.5
285.03876	1.9
288.06647	2.9
291.03259	2.5
295.99106	1.9
296.02161	9.3
301.10886	2.7
306.07669	60.0
307.07901	5.3
317.01230	15.1
335.02344	9.0
401.11911	1.7
404.04269	5.1
404.14612	2.1
422.05576	10.7
422.13480	5.1
422.21420	2.3
422.99850	3.4
423.10071	7.7
423.17584	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	422.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
58.02966	1.4
58.99607	17.9
59.01383	15.9
61.98830	15.5
67.01894	1.5
69.03452	1.4
69.84626	5.5
70.68804	0.9
71.01382	18.4
71.05021	2.1
72.99322	2.5
73.02950	4.1
74.99089	1.3
75.00907	1.3
75.01360	1.0
79.22068	1.0
79.95767	1.4
83.01382	2.1
84.04558	3.3
85.02949	8.6
85.20232	0.9
87.00874	12.8
88.04053	1.1
89.02453	8.6
94.02965	1.9
95.01391	3.7
96.96015	14.9
97.02943	1.3
99.00861	1.7
100.61243	0.9
101.02442	8.3
102.98599	100.0
103.04012	3.7
103.98982	1.6
107.01340	2.3
108.02181	1.4
108.76894	1.0
109.02958	5.6
111.00884	1.4
112.04051	37.6
113.02450	7.6
113.04393	1.1
117.05579	4.8
119.03500	2.5
120.99659	39.6
121.02965	1.1
123.00892	5.7
123.04581	1.2
125.02451	14.6
126.05570	2.0
132.78455	1.0
133.02927	2.9
135.04518	13.4
136.04866	7.7
137.02472	1.8
138.05632	1.4
139.00388	1.9
140.01175	1.8
143.03503	1.7
145.02943	2.3
149.02353	1.3
149.06038	1.5
150.03229	1.6
150.06371	1.3
151.00366	2.9
159.03084	1.3
160.06110	2.2
161.02444	10.9
161.04482	8.1
162.02785	8.6
163.04097	1.3
165.05539	1.3
168.00613	1.5
169.01430	19.4
172.04388	4.1
177.05557	2.1
178.05861	3.7
179.03508	14.5
180.03857	13.5
189.01889	1.4
191.03481	2.2
191.09186	1.2
215.03447	1.3
217.01440	1.7
218.02022	1.3
221.04524	4.6
222.04892	6.1
223.06139	1.3
239.94162	1.2
245.00780	4.0
246.01625	2.8
247.02422	4.0
249.06142	7.8
251.05589	3.2
252.05923	4.6
255.02910	1.6
267.03006	1.6
271.04953	4.6
274.00748	1.1
275.01913	2.8
279.10809	3.0
281.06744	3.3
282.07013	7.9
283.04919	70.9
284.05219	4.5
301.00082	5.4
313.05585	1.9
341.08804	1.2
342.09042	7.5
343.10037	3.1
351.01352	1.3
359.09805	8.0
363.03561	1.3
363.16406	1.8
379.01700	1.4
379.06525	1.1
408.02521	1.3
422.04654	24.4
422.99536	1.9
423.04575	7.7
423.09268	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2962
Annotation	6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
Peak:m/z	Relative Intensity
57.03445	3.3
59.01385	7.4
60.94509	0.7
62.97562	0.6
77.97846	0.8
80.96525	1.2
81.03462	1.0
85.02957	3.3
85.06606	3.6
95.01388	1.5
95.05049	4.4
97.06602	5.4
98.20621	2.4
99.04539	1.4
108.02164	2.9
111.08160	2.2
113.02454	1.4
113.06087	9.5
121.06615	1.3
122.03760	1.7
123.04534	2.2
124.05332	1.6
125.06098	2.7
137.06108	1.9
139.07687	2.4
141.05585	24.6
151.00359	0.8
165.05588	2.3
166.06357	4.4
167.03387	0.9
181.05104	6.0
183.06741	0.9
191.03513	2.4
192.07872	2.1
214.28529	0.7
229.19611	0.9
253.25383	3.1
255.23369	3.8
263.23804	1.7
279.23312	11.4
280.23651	1.2
289.25665	0.8
291.23312	1.0
305.28513	1.0
307.26450	1.1
307.30005	1.0
333.27887	1.3
335.29575	2.5
351.25388	3.1
359.29453	2.0
361.23477	1.4
361.27435	9.7
362.28085	7.1
363.25101	3.9
375.29068	5.1
377.30737	10.3
378.31039	1.2
379.28610	6.3
380.28668	1.1
397.36801	0.9
421.29630	100.0
422.30023	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2963
Annotation	6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
Peak:m/z	Relative Intensity
52.30320	0.4
55.01883	0.6
57.03455	2.2
61.98839	3.1
65.97619	0.4
66.88246	0.3
69.39935	3.5
71.05024	1.2
73.09636	0.3
79.01889	1.5
80.02673	0.6
81.03463	0.7
85.06596	1.4
87.04512	0.4
95.05054	1.5
97.02991	0.5
97.06604	0.5
99.08166	3.2
103.49549	0.4
107.05034	1.0
111.04488	0.4
121.06594	1.1
123.07348	0.6
123.08183	9.4
123.13360	0.4
135.04530	1.2
139.04008	1.8
149.06093	1.2
150.06807	0.5
152.04771	0.7
163.07666	1.3
165.02045	0.6
167.05804	0.8
167.07162	11.8
168.07524	0.4
180.04320	0.5
189.05563	0.5
190.26788	0.4
193.05089	1.3
212.02063	0.5
253.21695	0.7
271.23148	0.4
295.26144	0.5
307.26456	1.7
333.28088	0.4
334.25247	1.2
335.29480	1.9
359.29532	2.8
360.29898	0.5
361.27597	0.6
362.28247	0.5
377.30600	8.1
378.30865	1.1
403.28741	0.9
421.29630	100.0
422.29968	19.1
422.35715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.3
58.00584	0.8
59.01376	1.1
62.88653	0.3
63.88584	0.3
65.00323	0.7
69.03455	0.5
69.80538	2.0
71.04997	0.4
72.88226	0.3
73.02940	1.6
81.03471	11.3
83.01399	2.6
83.05032	1.0
85.06594	1.1
86.73725	0.4
95.05029	0.6
97.02940	0.9
97.06611	1.2
107.01408	0.5
107.05029	1.1
109.06602	2.7
111.04526	1.2
122.03728	1.0
123.04565	0.4
125.02455	23.8
125.06121	0.6
125.09702	1.9
125.19241	0.4
126.02776	0.9
151.00346	1.1
153.05591	8.7
163.11330	0.7
165.09203	0.6
165.12871	0.4
167.03586	0.5
171.10399	0.6
177.12859	0.6
195.13960	0.7
199.13393	0.5
205.12408	0.4
207.13971	0.5
223.13501	0.6
235.13460	1.2
255.04805	0.4
264.13321	0.4
265.14417	4.2
293.14096	0.8
293.24844	1.2
309.13522	2.1
335.25858	1.2
421.25964	100.0
422.26312	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
58.00603	0.4
59.01379	1.5
60.00313	0.3
61.98520	0.5
61.98833	7.4
65.00328	1.2
69.03461	0.6
69.91410	1.4
71.05007	0.3
81.03464	13.5
83.01397	2.6
83.05026	1.5
85.02939	0.8
90.70458	0.3
95.05045	0.7
97.06598	1.0
99.08164	8.3
107.01369	0.8
107.05045	0.5
109.06582	0.7
113.09727	1.8
122.03739	2.3
123.04546	0.5
125.02454	20.7
126.02788	0.8
127.04015	0.4
127.07682	0.6
129.09227	3.7
139.03900	0.4
150.03239	0.4
151.00363	1.4
151.11230	0.5
153.05591	0.9
162.03230	0.5
169.12352	0.6
171.10356	0.7
189.12839	0.4
195.13913	0.6
205.15967	1.5
207.13870	1.1
235.13382	1.4
247.17047	2.8
259.16995	0.4
291.16119	0.8
293.24716	0.5
295.22791	0.9
315.49338	0.3
335.25943	0.6
337.23798	0.4
351.17114	0.4
351.82559	0.3
359.22064	0.5
359.25974	0.8
361.20410	0.4
377.26978	4.2
378.27402	0.6
378.90991	0.4
403.25055	0.8
421.25961	100.0
422.26318	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	421.2597
Annotation	Hamachilobene D
Peak:m/z	Relative Intensity
52.94563	2.3
53.79606	1.7
55.01871	3.2
57.03444	6.9
59.01380	4.9
68.99812	5.0
69.67535	12.5
77.77739	2.1
79.01898	8.7
80.96525	17.9
83.04993	2.3
85.02959	65.4
87.00858	2.4
95.05033	8.0
96.96056	2.1
97.02931	4.5
99.04529	7.8
109.02952	4.2
111.28568	2.0
113.02482	2.6
114.76509	1.9
115.04037	3.3
123.04545	31.6
124.01614	2.6
125.02446	17.4
136.05319	3.6
138.03183	4.0
139.04065	2.3
141.01947	23.6
141.05589	5.4
151.00386	6.4
167.03481	6.8
170.02023	2.6
179.03642	2.2
263.23801	5.6
263.74222	2.4
277.21811	15.3
279.23318	26.2
280.23831	2.8
289.25443	6.1
292.86420	2.1
294.28430	2.3
307.26520	4.0
316.24033	2.5
317.24966	9.8
321.24466	14.4
331.26544	4.2
347.22092	2.4
349.23859	3.5
351.25522	6.3
359.25919	62.7
359.30161	4.0
360.26312	9.1
361.23856	90.8
362.24258	14.6
375.25339	4.6
377.27029	3.9
379.19955	2.8
379.24890	59.3
380.25436	8.0
403.24771	11.8
404.25562	9.6
421.26025	100.0
422.17862	3.0
422.26410	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	421.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33089	0.3
55.01891	0.4
55.41139	0.3
57.03455	2.6
59.01377	0.7
59.39964	0.3
60.10110	0.3
61.98827	0.4
62.86181	0.3
63.02390	0.3
65.00330	0.8
69.03444	0.3
71.01387	0.4
71.05036	0.9
71.10160	0.4
71.10516	0.4
72.49747	0.3
79.01920	0.3
80.02692	0.4
81.03468	8.9
81.85845	0.2
82.03796	0.3
83.01404	1.8
83.05014	0.8
85.06596	1.2
89.30405	0.3
93.03439	0.4
95.01377	0.5
95.05029	0.8
96.95995	0.3
97.02940	0.4
97.06576	0.6
99.08147	0.5
107.01405	0.6
107.05019	0.6
109.06602	3.2
111.00900	0.4
111.04530	1.6
121.02993	0.7
121.06543	0.3
122.03788	2.3
123.04530	0.8
125.02452	12.0
127.04093	0.3
135.04529	0.8
136.05261	0.4
138.03279	0.3
139.04007	1.0
139.11311	0.4
149.06070	0.4
149.09775	0.3
151.00381	1.7
153.05579	8.2
154.05904	0.6
161.09746	0.3
163.09824	0.3
163.11269	0.7
169.12381	0.4
178.41156	0.3
179.03526	0.8
225.11394	0.4
235.13446	1.1
259.20566	0.8
271.59268	0.3
301.21738	3.0
302.21991	0.5
317.25000	0.6
337.24005	0.8
341.24734	0.5
359.25937	4.2
360.26196	0.8
377.27005	1.2
403.25113	0.5
421.25974	100.0
422.26239	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.59964	0.4
52.33256	0.3
57.03455	3.7
58.00600	1.7
59.01372	0.9
61.98833	1.0
65.00323	1.5
69.70170	1.2
69.70585	0.9
79.56273	0.4
81.03461	14.1
83.01390	3.1
88.68056	0.3
90.12917	0.3
97.06583	0.8
99.08162	11.1
100.08508	0.6
106.25490	0.4
107.01375	0.9
107.49139	0.3
111.08143	0.5
113.09732	0.9
122.03736	2.4
123.04534	0.7
125.02454	33.6
126.02776	1.3
127.07677	1.8
129.09222	11.0
151.00385	1.5
152.01176	0.3
166.02708	0.8
167.03510	1.3
179.03473	0.6
205.15991	5.3
206.16353	0.5
207.13898	1.6
219.17642	0.8
247.17044	8.0
248.17380	0.8
259.17026	0.4
275.12570	0.4
291.15991	2.6
293.24829	1.2
295.22961	0.4
335.25797	1.1
341.24960	0.4
359.25681	0.5
377.26871	0.6
403.25125	0.5
421.25974	100.0
422.26340	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	421.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.4
59.01386	2.4
61.98828	0.5
62.51375	0.3
65.00328	1.8
69.03460	0.8
71.05022	1.1
75.42695	0.3
81.02975	0.7
81.03460	12.3
82.03812	0.5
83.01395	2.2
83.05023	2.1
85.06582	0.5
95.01424	0.5
95.05042	1.0
97.06589	1.0
99.08172	5.4
100.08537	0.3
107.01389	0.9
107.05042	0.5
109.02979	0.4
109.06592	1.0
113.09753	2.6
121.02923	0.4
122.03751	1.9
123.04537	0.5
125.02459	18.4
125.09762	0.4
126.02785	1.0
127.03977	0.5
129.09209	0.5
135.08122	0.4
136.05359	0.5
139.04016	1.2
139.11298	0.5
151.00360	1.4
151.11246	0.4
153.05574	1.0
166.02626	0.4
169.12292	0.7
171.10283	0.5
189.12865	0.7
189.69914	0.3
207.13933	0.5
235.13333	1.6
247.17107	0.6
249.14961	0.3
259.16943	0.4
265.53177	0.4
275.16473	0.7
277.18259	0.6
295.22797	1.0
301.14594	1.0
335.25922	1.1
337.23669	0.8
359.25955	1.2
361.16580	1.3
375.25449	0.5
377.26953	5.0
378.27289	0.6
379.24548	0.6
403.24973	0.5
421.25986	100.0
422.26331	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	421.2599
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03449	5.7
57.54251	0.7
59.01368	3.0
61.98831	5.7
65.00336	1.3
69.89780	4.3
71.01379	0.9
73.02934	1.5
78.59792	0.7
79.01860	1.0
81.03460	8.7
83.01390	3.7
83.05030	1.1
85.02958	46.9
86.03313	1.2
87.00882	12.6
95.05029	1.5
97.06568	0.8
99.04505	2.6
109.06610	1.0
111.00898	4.0
115.04059	1.7
122.03730	1.2
123.04552	4.2
125.02452	28.8
125.09734	1.4
126.02755	1.6
139.04051	1.2
140.45340	0.8
141.12888	1.4
143.03474	3.1
151.00369	1.8
153.05531	2.9
161.47015	0.8
165.12857	1.3
167.03487	7.9
168.03893	0.7
169.12248	1.1
185.04547	1.3
216.17831	0.9
232.25800	0.7
235.13457	1.5
253.21733	1.1
277.21710	2.8
279.23401	0.9
293.24826	1.0
321.20883	1.4
321.24362	18.9
322.24869	1.5
358.21036	1.7
361.23853	13.2
362.24026	1.8
377.27048	0.9
403.24875	1.8
421.25919	100.0
422.26282	16.0
422.31580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89588	1.7
55.01881	4.1
57.03454	6.7
59.01381	3.9
60.99422	1.8
68.99815	2.8
69.03455	2.5
70.19296	5.6
70.19706	4.1
70.34525	2.1
71.05039	3.7
71.56641	1.7
79.01910	8.8
79.95734	1.6
80.96542	10.5
81.03482	3.3
83.01416	2.6
85.02964	64.1
87.00881	4.2
91.45549	1.8
95.01389	3.7
95.05031	9.6
97.02965	6.6
97.06583	2.4
99.00898	2.2
99.04541	6.4
109.02970	4.1
113.02477	2.4
113.06077	2.5
123.00879	3.4
123.04552	34.7
124.04838	2.9
125.02464	18.4
136.05296	2.4
138.03249	5.5
139.04042	4.2
141.01970	29.3
141.05597	5.4
151.00381	6.8
163.04077	1.6
165.01808	1.9
166.02705	3.5
167.03490	5.5
168.27473	1.6
170.02205	2.2
263.23907	2.9
277.21796	17.9
278.22049	2.1
279.23355	26.0
280.23553	4.8
289.25314	10.9
307.22937	2.0
307.26501	4.6
315.16498	1.9
317.24957	7.9
321.24420	13.9
331.26532	3.3
351.25488	6.8
359.25977	58.0
360.26535	9.1
361.23862	95.1
362.24194	11.5
375.25571	2.9
377.27222	3.3
379.24896	54.8
380.25534	7.4
393.26587	2.3
397.41006	1.8
403.24982	13.6
403.29568	2.2
404.25668	5.2
421.26059	100.0
422.17981	3.5
422.26306	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	421.2599
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03449	3.3
59.01391	1.8
61.98835	0.3
65.00316	1.5
65.03952	0.3
67.01859	0.3
69.03457	0.8
71.05019	0.7
81.03461	10.9
82.03816	0.4
83.01404	2.0
83.05027	2.0
85.06610	0.3
93.03487	0.4
95.01406	0.4
95.05045	0.9
97.06595	1.1
99.08171	4.8
102.48029	0.2
107.01394	0.9
107.05009	0.4
109.05435	0.2
109.06602	0.7
111.00912	0.3
113.09745	1.5
121.02940	0.6
122.03746	1.9
123.04543	0.5
125.02454	17.1
126.02781	0.7
136.05328	0.3
139.03998	0.8
139.11266	0.6
149.06070	0.3
151.00401	1.3
151.11357	0.6
153.05595	0.3
163.11305	0.4
165.12865	0.3
169.12361	1.5
171.10240	0.9
185.49527	0.3
189.12849	0.6
193.12241	0.4
207.13773	0.3
225.11246	0.5
235.13396	2.1
238.00175	0.3
249.14888	0.4
257.15384	0.3
277.18127	0.3
295.22839	0.8
301.14569	0.5
310.03903	0.3
335.25897	0.7
337.23782	0.5
359.25925	1.1
361.16461	0.7
366.94882	0.3
375.25330	0.6
377.26947	5.4
378.27243	0.8
403.24893	0.6
421.25964	100.0
422.26343	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01884	9.5
57.03456	4.7
58.00596	2.1
59.01384	46.3
60.01719	0.8
68.99818	0.5
69.03468	1.7
69.31001	6.4
70.51806	0.6
71.01387	70.2
72.01704	1.2
72.99311	3.6
73.02952	35.3
75.00861	2.9
75.01250	0.7
81.03465	1.0
83.01389	15.0
85.02955	35.5
86.00114	1.9
87.00880	4.6
89.02454	20.2
95.01392	4.5
96.96025	9.1
97.02920	3.6
99.00889	15.6
101.02448	73.3
102.02777	1.4
111.00896	1.6
112.88203	0.7
113.02454	27.6
115.04007	1.9
119.03509	2.2
125.02473	5.7
129.01988	1.6
131.03503	4.9
138.02036	0.7
143.03500	2.9
149.04562	2.7
159.03006	4.5
161.03217	1.5
161.04556	24.5
162.04887	1.2
191.05655	0.9
197.11827	0.9
205.03528	0.9
233.06660	4.2
253.87288	0.7
289.16583	100.0
290.16931	9.0
293.08755	0.7
333.15536	1.2
377.12549	0.8
421.11526	3.2
421.20792	95.6
422.21091	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
55.01885	1.4
57.03425	2.9
57.13842	0.9
59.01376	6.8
63.31666	0.9
69.03465	1.3
69.34059	2.3
69.34482	7.0
69.45826	0.9
71.01392	1.4
71.05022	2.4
73.02946	2.6
76.26878	0.9
79.01895	2.0
80.95385	0.9
80.96539	1.1
81.03445	2.4
83.01394	2.1
83.05022	2.3
85.02956	84.4
86.03281	1.7
87.00879	22.3
94.28228	0.8
95.05006	1.0
97.02948	1.6
97.06593	1.0
99.04533	5.8
101.02418	1.4
109.02960	1.9
111.00882	5.8
111.04548	2.3
113.02415	1.9
115.03981	3.6
118.01579	0.9
120.68918	0.9
122.03719	1.3
123.04525	6.7
125.02429	12.1
125.06033	1.3
127.04024	3.3
138.03207	1.4
139.04024	2.3
141.05566	1.2
143.03531	4.6
149.02434	1.2
151.00302	1.4
151.03967	2.7
153.05573	1.6
155.14334	0.8
165.09526	0.8
165.84398	0.8
166.02646	1.4
167.03508	12.3
168.03838	1.1
170.02164	1.4
177.01878	1.0
178.02599	1.1
185.04512	3.9
253.21690	3.9
277.21860	4.4
279.23251	2.7
289.14395	1.5
321.24362	34.6
322.24661	4.4
333.24106	1.2
359.25943	1.5
361.23846	24.0
362.24069	4.3
365.23407	2.3
375.25311	3.0
377.26785	2.3
379.24893	1.7
403.24887	18.1
404.25085	3.0
406.23642	1.2
421.25919	100.0
422.26279	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31739	1.0
55.01888	5.6
57.03449	6.3
58.00591	2.7
59.01093	1.9
59.01386	38.7
67.49805	0.9
69.03453	2.5
71.01387	100.0
71.05028	1.1
71.60387	1.3
72.01728	1.3
72.99315	3.3
73.02951	38.4
75.00875	2.7
81.03465	1.6
83.01403	15.2
85.02956	44.6
87.00877	5.5
89.02453	26.2
93.03482	1.5
95.01379	8.6
96.96001	5.2
97.02954	4.8
99.00892	17.7
101.02451	64.1
102.02771	1.9
111.00881	1.4
113.02457	34.6
114.02828	1.1
115.04018	3.1
119.03538	2.1
125.02437	11.9
127.11300	1.2
129.01990	1.0
131.03490	6.4
137.02444	3.0
143.03526	5.3
149.04523	3.7
159.02982	7.7
161.03220	2.3
161.04562	44.1
162.04890	1.3
165.05487	1.5
166.06335	3.2
169.01419	3.2
179.03471	3.3
181.08725	2.6
191.05716	2.1
199.49722	1.0
205.03458	1.4
206.00519	1.2
215.05643	1.1
233.06725	9.0
266.40500	1.0
289.16586	57.9
290.16849	5.7
293.08701	3.5
299.98999	1.5
309.00522	2.0
312.53223	1.1
329.10275	3.5
337.00031	2.4
345.10754	5.2
345.61108	3.2
359.14960	7.6
360.15616	1.3
364.99246	1.4
392.98837	8.2
393.98923	1.5
420.98422	15.7
421.20792	81.6
421.98587	2.3
422.21091	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	421.1636
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
53.99647	5.8
54.59788	6.5
57.03443	7.9
59.01384	66.8
65.52083	6.1
69.55740	21.5
69.56168	32.8
71.01387	23.8
71.05009	6.3
72.99304	8.3
73.02965	13.3
75.00885	19.7
79.95737	11.9
85.02965	8.9
89.02437	18.6
96.96019	26.5
101.02455	16.2
113.02502	17.1
116.53893	6.3
117.05619	17.8
119.03542	8.7
121.02954	9.9
122.03801	8.1
123.04525	7.7
125.02449	29.9
131.07141	10.9
134.66446	7.8
149.02444	31.8
150.03241	64.7
151.00378	11.1
152.01181	13.6
153.01938	7.5
163.04095	8.3
165.05524	41.5
167.03505	26.0
169.01433	23.8
179.03549	10.3
191.03464	7.9
195.06648	13.7
202.99796	10.9
209.04565	42.1
217.05081	7.6
227.49107	7.7
239.05582	17.9
259.06091	19.2
270.03879	19.2
273.00397	7.7
274.98300	11.8
300.99954	18.5
346.04260	10.0
363.10754	12.9
391.14044	14.7
421.16031	100.0
421.24954	8.5
422.15527	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	421.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86686	4.0
54.25784	4.0
57.03445	5.8
59.33104	3.6
63.61419	4.0
65.40099	4.8
71.05018	10.7
71.61031	4.8
79.95760	8.0
80.96529	11.6
83.04944	4.0
87.69888	4.1
95.05071	3.9
109.02956	4.9
123.04530	10.3
124.53595	4.2
127.03944	5.8
139.03990	8.2
151.04021	8.0
267.64407	4.9
268.95190	4.4
270.02106	3.9
365.23422	5.8
375.25473	5.0
383.22336	53.1
384.22446	11.4
385.22430	4.7
403.24918	28.4
404.25146	4.3
421.25436	100.0
422.17908	13.2
422.26062	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	9.4
57.03443	6.3
58.00584	2.2
59.01384	54.9
69.03460	2.5
69.33752	1.0
69.48950	8.1
71.01390	85.2
72.01725	2.2
72.99318	4.1
73.02953	42.7
75.00876	3.3
83.01395	17.0
85.02958	45.5
86.00118	1.9
86.03326	1.3
87.00864	5.5
89.02457	29.7
95.01398	6.0
96.96018	5.2
97.02946	4.7
99.00882	17.7
99.04488	1.5
101.02456	78.3
111.00900	3.0
113.02460	35.8
115.04011	1.6
119.03542	3.1
122.52739	1.1
125.02474	7.4
125.09659	1.2
129.01924	2.0
131.03546	6.4
143.03479	4.9
149.04585	4.4
159.03023	5.6
161.04572	32.3
169.01466	2.7
190.65634	1.0
191.05656	1.4
197.11775	1.3
199.71654	1.2
233.06660	2.6
246.93260	1.2
284.76645	1.0
289.16592	100.0
290.16956	11.1
344.60147	1.6
344.81625	1.2
345.09036	1.8
364.99429	3.3
420.98447	1.9
421.20792	97.4
422.21204	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	421.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93615	0.6
55.01888	0.7
57.03448	1.1
58.43416	0.7
59.01383	3.7
61.98798	0.6
67.01885	0.9
71.01389	5.7
71.37392	1.0
72.99288	0.7
73.02950	2.0
79.01910	1.1
83.01395	1.5
85.02944	2.8
86.07536	0.6
95.01385	2.3
97.02986	0.8
101.02450	2.9
107.01408	4.2
108.11558	0.6
110.00076	0.8
111.00860	2.9
113.02458	2.4
120.99618	0.7
123.00893	18.4
124.01717	1.5
125.02458	18.6
126.02741	0.7
127.00372	1.0
136.98795	2.1
139.00392	6.0
140.01201	4.1
141.01926	2.4
151.00375	13.5
152.00697	0.8
153.01982	0.9
154.59024	0.7
168.00700	4.3
169.01424	21.7
170.01755	0.9
185.11810	1.1
240.12097	0.7
253.03377	0.6
313.05673	1.4
421.11417	100.0
422.11752	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	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71014	0.5
57.03445	0.7
59.00919	0.4
59.01391	6.7
63.64964	0.4
67.01874	0.8
69.03461	1.5
69.29983	3.4
69.30392	1.0
71.01384	6.8
72.99307	1.1
73.02944	2.3
74.99079	0.7
79.01914	1.0
83.01399	1.6
85.02959	3.8
87.00858	1.6
87.29919	0.5
89.02458	1.4
94.48254	0.5
94.50576	0.4
94.79658	0.5
95.01376	1.9
95.67621	0.5
96.95997	2.9
97.02967	1.3
98.20683	1.0
99.00872	1.4
101.02456	4.4
101.06053	0.9
102.05618	0.9
107.01405	7.6
107.05035	35.1
108.01733	0.6
108.05360	1.5
110.00083	0.6
111.00890	2.4
113.02438	3.5
115.00375	1.0
115.07636	0.6
117.05598	0.5
120.99660	1.2
123.00896	15.4
124.01678	1.2
125.02452	41.2
126.02777	2.2
127.00378	0.7
128.03549	1.5
136.98917	1.6
137.02449	1.1
138.03215	0.7
139.00360	5.0
140.01173	3.4
141.01936	2.2
146.04593	2.2
150.58708	0.5
151.00375	11.9
151.03986	0.6
152.00870	0.7
161.04529	1.3
163.04080	0.6
167.03500	0.8
168.00644	3.9
169.01431	51.9
170.01758	2.5
175.02419	0.5
178.99875	0.7
185.11810	0.5
211.02461	0.9
223.02443	0.5
241.03506	0.8
253.03406	0.9
256.44870	0.5
289.16632	1.7
313.05646	12.3
314.05969	1.5
341.17892	1.9
421.11417	100.0
422.11780	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	421.0447
Annotation	Carbenicillin sodium
Peak:m/z	Relative Intensity
59.01379	1.0
61.98823	0.4
71.01386	1.1
79.95741	0.4
85.02928	0.5
89.02437	1.0
96.96009	4.3
96.96959	0.4
101.02453	0.6
102.98658	0.4
107.05021	0.6
109.86581	0.4
111.00866	0.7
117.05568	0.5
120.99687	0.4
133.02975	1.2
134.03732	2.1
135.04532	100.0
136.04866	5.3
143.18115	0.4
145.29352	0.3
149.06064	0.4
161.02458	5.8
175.03931	0.6
177.05620	0.7
179.03505	99.3
180.03827	6.7
185.86649	0.4
203.03473	0.4
208.92284	0.4
221.04655	1.5
241.00237	5.6
247.02519	1.4
258.99207	1.3
273.00443	0.4
281.06757	1.3
298.24219	0.4
301.00223	0.7
341.08780	15.2
342.09131	1.8
385.02121	0.8
403.02737	0.6
421.04474	28.9
422.04773	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	421.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01372	3.2
61.98834	2.2
65.26195	0.8
69.03477	1.1
71.05020	4.8
71.31919	1.4
75.19562	0.8
79.01902	0.9
79.95744	25.2
80.96516	1.9
81.03461	1.4
83.05024	1.0
85.02978	2.3
93.03477	1.0
95.05031	4.3
95.75058	0.8
95.95239	1.9
96.13470	0.9
96.96016	32.0
97.02975	1.8
97.06612	1.1
99.00827	1.1
99.04558	1.0
109.02962	3.2
109.06580	0.9
111.04612	1.1
121.02961	12.0
123.04488	1.1
124.01660	2.2
125.02474	5.9
135.04512	1.5
139.04027	26.7
140.04353	1.5
147.04521	0.9
149.09723	0.8
149.88690	0.8
151.37732	0.8
152.08295	0.7
153.05582	3.1
159.04523	9.7
163.07648	1.1
165.02077	1.0
167.07201	0.7
193.05031	1.9
207.06870	1.2
209.09711	1.0
221.09758	1.3
225.09190	1.8
235.07539	1.6
237.09279	4.4
240.04184	0.8
249.14621	0.9
251.06908	0.8
252.08006	1.0
253.08723	4.9
263.07184	5.2
264.07745	1.9
265.08685	16.2
266.05988	0.8
266.09073	2.2
276.08035	1.2
277.08691	2.4
278.09445	2.7
279.10138	1.0
280.10989	2.2
281.08203	57.8
282.08545	6.1
291.10172	1.5
292.11151	1.8
293.08228	31.9
294.08539	5.6
295.09772	1.1
296.10547	59.2
297.10913	6.5
300.99921	0.8
307.09644	6.2
308.10519	29.1
309.10938	3.3
311.12912	75.1
312.13251	8.8
323.12897	31.4
324.13254	4.6
333.16843	1.0
361.16541	1.4
391.08603	13.2
391.21579	8.3
392.08972	1.3
392.22052	1.3
403.17407	1.1
421.09692	100.0
421.22635	63.0
422.09985	14.6
422.18811	0.9
422.22900	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	421.0451
Annotation	Carbenicillin sodium
Peak:m/z	Relative Intensity
53.71827	0.4
59.01381	1.1
70.13969	1.8
71.01392	1.1
79.52696	0.3
80.56973	0.4
86.87603	0.3
89.02470	0.7
91.05534	0.4
96.96013	3.4
99.84631	0.4
101.02478	0.5
107.05019	0.6
123.00935	0.5
125.02478	0.8
134.03743	1.4
135.04543	84.6
136.04871	4.2
161.02524	1.0
168.00671	0.6
169.01430	1.2
175.04042	0.5
177.05595	0.4
179.03517	100.0
180.03853	6.5
199.08788	0.4
199.88348	0.4
201.02072	0.5
203.03522	0.8
206.87140	0.4
229.01633	0.6
231.03152	0.9
241.00258	3.7
245.00867	0.5
247.96986	0.4
257.00861	0.5
258.99277	0.6
259.02515	2.1
271.29724	0.4
275.01941	0.8
299.99084	0.4
300.99918	8.6
302.00262	0.9
337.45590	0.4
341.08829	9.9
342.09158	1.1
377.05066	0.7
421.04449	23.0
421.12640	3.3
422.04550	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	421.0433
Annotation	Carbenicillin sodium
Peak:m/z	Relative Intensity
59.01104	1.1
59.01385	11.3
61.17044	0.7
61.98832	2.5
64.15380	0.8
67.87674	0.7
69.43681	4.2
69.44101	1.9
71.01389	7.3
71.05003	1.2
72.99313	1.1
73.02922	1.5
74.99091	1.2
80.15468	0.8
83.01363	1.0
85.02935	2.5
87.00879	7.6
88.04041	1.6
89.02447	6.0
90.93555	0.8
95.01407	1.6
96.96017	5.0
99.00896	1.3
101.02448	4.5
107.04980	1.2
109.02957	1.4
111.00886	1.5
112.04181	0.8
113.02486	2.1
117.05588	2.3
119.03582	1.2
120.99638	2.3
123.00888	2.2
123.27892	0.7
125.02406	3.3
126.55060	0.7
130.05081	1.7
131.03482	0.8
133.02992	3.7
134.03716	1.4
135.04533	35.7
136.04849	1.7
137.02457	2.2
139.00351	0.7
141.01901	1.1
145.02956	2.3
148.05295	1.5
149.06087	5.1
151.00313	1.4
157.02751	0.8
157.78914	0.8
161.02449	25.2
161.04491	1.6
161.05933	0.9
162.02750	1.5
163.04005	1.7
165.01865	1.0
165.05608	1.1
166.99831	1.1
169.01384	2.8
173.02406	1.1
173.04579	1.1
175.03987	1.1
176.98430	0.7
177.01947	1.0
177.05554	10.9
179.03503	40.9
180.03902	2.6
187.03986	1.0
188.01038	0.8
189.01965	3.8
190.02696	2.2
191.03537	1.6
199.03818	1.0
199.09787	1.0
201.01988	1.6
203.03476	2.6
213.02005	1.1
217.01418	14.2
218.02078	2.7
221.04553	14.0
222.04892	1.1
227.03484	0.8
229.01425	2.4
230.01936	0.9
231.02907	2.2
243.02908	2.0
245.00900	17.5
246.01640	5.4
247.02496	7.7
251.05608	12.6
258.01648	3.5
259.02667	5.6
271.02451	2.1
272.03210	0.9
273.00427	46.4
274.00870	4.8
275.02130	1.0
279.10953	2.3
281.06680	16.9
282.06952	0.9
285.03900	0.8
287.01996	2.9
299.02005	2.0
300.99988	4.5
303.01407	1.5
305.22385	0.8
317.03000	2.8
341.08731	11.5
342.09067	1.0
359.04111	3.4
359.09821	11.7
361.15192	1.0
377.05121	0.9
393.02826	1.0
403.03036	1.3
421.04263	100.0
422.04550	11.7
423.94333	0.8
426.19400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
61.98834	67.2
64.28370	1.3
69.89918	5.8
69.90334	2.7
79.01913	1.3
98.19948	2.1
99.08155	2.5
123.08172	6.8
135.04547	1.6
139.03967	2.3
141.01926	1.5
167.07172	8.3
275.17679	1.3
377.30759	8.0
420.24460	3.0
421.29620	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	420.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34687	0.6
59.44706	0.7
61.98833	100.0
62.27168	0.6
65.44097	0.6
66.13247	0.8
69.91506	0.6
75.51249	0.7
80.96516	0.7
95.05010	1.1
97.02949	1.6
97.25948	0.7
98.19889	1.2
107.08977	0.7
120.66810	0.7
139.04037	1.9
195.06653	0.9
201.56934	0.6
303.47958	0.8
378.23560	0.9
420.28717	11.7
421.29739	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	421.042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76892	0.8
56.21202	0.9
59.01373	5.6
61.98823	2.6
66.24223	0.8
68.69336	0.8
71.01389	2.4
71.37190	1.6
72.29055	0.8
77.12222	0.7
85.02969	1.3
89.02435	1.6
95.01414	1.0
96.95978	2.0
99.00871	0.8
101.02444	2.2
101.54717	0.7
102.98618	2.3
103.04043	1.0
112.04071	1.2
113.02448	1.6
117.03461	1.7
117.05580	0.9
118.01204	0.8
119.03485	1.9
119.04980	1.3
120.99665	3.6
123.00898	1.6
125.02474	1.5
131.05008	0.9
133.02934	6.8
134.03867	0.9
135.04529	29.6
137.02312	1.0
145.02943	3.9
147.04512	3.0
149.02449	1.2
149.06102	1.8
151.00380	0.9
158.03726	1.6
158.56577	1.0
159.04520	1.7
160.01657	1.2
161.02452	32.3
161.04495	1.4
162.02870	1.3
163.04018	7.0
173.02451	2.7
174.03169	1.0
175.04004	4.6
177.01978	1.0
177.05623	1.8
179.03510	32.8
180.03813	1.9
189.01961	3.7
190.02736	3.1
191.03458	2.1
201.01947	4.3
202.02553	1.0
203.03464	4.6
211.04269	1.5
214.99857	0.9
216.00662	2.1
217.01369	5.6
219.02994	4.3
221.04553	2.4
229.01448	2.9
230.02206	3.8
231.02991	1.6
241.00139	1.3
242.02103	1.0
243.02904	1.1
244.00157	3.2
245.00909	14.0
246.01598	11.8
247.02464	72.5
248.02771	5.3
251.05664	2.4
256.03818	1.2
257.00977	1.2
258.99231	1.5
270.99020	1.4
271.99640	4.3
273.00418	19.6
273.03748	2.3
274.00977	3.5
275.01938	2.4
281.06674	4.1
283.04980	2.0
287.05780	0.9
289.03644	1.0
291.01477	11.6
296.03156	0.9
298.98428	1.0
299.01810	0.9
299.99237	1.1
300.99954	6.7
311.02155	1.4
313.03281	1.2
317.03015	2.0
327.48608	0.9
329.03162	1.4
341.03214	1.1
341.04486	1.4
341.08691	12.2
342.09131	1.4
343.00928	4.4
357.02609	3.0
359.04044	3.0
359.09747	1.8
361.01974	5.2
384.97046	1.7
385.01996	35.5
386.02386	3.6
403.03085	29.6
404.03467	3.6
421.04214	100.0
422.04633	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	420.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57359	2.2
61.98834	100.0
72.87386	2.7
75.72523	2.3
81.03436	2.8
84.83770	2.2
92.55695	2.0
98.19840	4.9
115.69539	2.1
240.16428	2.6
255.59911	2.4
313.21585	5.1
357.20764	26.9
358.21182	2.7
361.30121	2.3
399.42468	2.3
420.28516	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	420.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.2
59.01371	1.9
61.98833	100.0
65.00329	8.5
70.18133	4.1
81.03429	1.8
83.01390	3.9
85.02953	32.6
87.00883	11.4
95.05013	1.3
98.20748	1.2
99.04494	1.7
111.00877	3.3
115.04056	1.1
123.04491	3.0
125.02458	44.6
136.01651	1.6
137.02448	1.7
139.04031	3.1
141.04150	1.1
143.03456	1.8
146.02336	1.2
163.00362	3.3
167.03497	3.5
176.01228	1.2
189.01897	3.6
190.99767	1.9
192.00621	2.1
203.00005	1.8
217.01326	2.3
253.21658	2.0
277.21655	2.4
279.23209	1.9
280.12018	1.2
313.21680	3.2
314.59290	1.1
321.24399	15.5
356.32458	1.1
357.20700	30.5
358.21103	6.3
361.23880	10.2
391.66626	1.1
393.20673	3.4
403.24710	1.9
410.17505	1.0
420.24387	3.1
421.20117	23.8
421.25903	30.0
421.31320	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	420.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.2
59.01371	1.9
61.98833	100.0
65.00329	8.5
70.18133	4.1
81.03429	1.8
83.01390	3.9
85.02953	32.6
87.00883	11.4
95.05013	1.3
98.20748	1.2
99.04494	1.7
111.00877	3.3
115.04056	1.1
123.04491	3.0
125.02458	44.6
136.01651	1.6
137.02448	1.7
139.04031	3.1
141.04150	1.1
143.03456	1.8
146.02336	1.2
163.00362	3.3
167.03497	3.5
176.01228	1.2
189.01897	3.6
190.99767	1.9
192.00621	2.1
203.00005	1.8
217.01326	2.3
253.21658	2.0
277.21655	2.4
279.23209	1.9
280.12018	1.2
313.21680	3.2
314.59290	1.1
321.24399	15.5
356.32458	1.1
357.20700	30.5
358.21103	6.3
361.23880	10.2
391.66626	1.1
393.20673	3.4
403.24710	1.9
410.17505	1.0
420.24387	3.1
421.20117	23.8
421.25903	30.0
421.31320	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	420.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
59.01386	4.2
60.07611	0.5
61.98832	0.8
64.35992	0.5
67.01889	1.5
68.99818	0.7
69.03460	1.3
71.01389	4.7
72.99311	0.9
73.02930	1.1
74.34891	0.7
79.01913	0.7
81.03451	1.6
83.01406	1.9
85.02950	1.7
87.00889	1.1
89.02469	1.8
92.04989	0.6
95.01390	2.5
96.01794	0.6
96.96019	2.3
97.02966	1.7
99.00865	0.9
101.02419	2.6
107.01411	11.8
107.05056	1.0
109.02967	1.6
110.00113	1.0
111.00893	6.0
113.02449	1.1
119.05063	0.6
123.00896	8.2
123.47645	0.6
124.01711	3.0
125.02459	40.0
126.02803	2.3
127.00370	2.3
131.03557	0.6
136.98825	2.7
137.02452	1.5
139.00383	6.7
140.01176	8.0
141.01944	1.0
149.02408	0.7
149.06017	0.6
150.03267	1.0
151.00383	3.7
151.04028	2.6
152.04355	1.2
153.01924	0.9
154.99886	0.7
161.04637	0.8
165.01895	0.9
166.99821	1.0
168.00658	8.1
169.01445	47.9
170.01790	2.8
176.03555	0.7
179.03520	0.7
181.01398	0.8
205.12300	0.9
211.02470	5.7
213.09280	1.3
214.09581	1.8
232.03082	1.5
240.02780	0.6
241.03532	2.7
257.08258	1.3
258.08575	1.9
271.04587	2.0
289.07217	0.7
289.16608	1.8
295.04620	0.7
297.06226	0.8
301.00049	0.7
313.05722	1.0
336.26785	0.6
344.10083	100.0
344.60242	35.8
344.64575	1.0
344.66525	0.7
345.10422	7.4
420.09872	14.8
420.60895	9.4
420.98431	2.1
421.11111	1.2
421.20642	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	420.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58964	2.1
60.05130	1.9
61.98834	100.0
69.60624	12.6
79.30603	2.1
83.72181	2.0
84.62125	2.4
85.70478	1.9
125.02486	2.5
195.65384	2.2
203.31154	1.8
313.21774	4.8
357.20709	32.3
358.21143	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	419.3168
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
50.96422	0.7
51.92561	0.7
59.93456	0.6
66.49140	0.6
68.88196	0.7
70.17355	2.9
71.82950	0.6
79.01894	3.3
81.03442	0.7
85.06589	5.2
90.49842	0.7
93.03471	0.8
97.02949	2.4
101.65279	0.7
103.18344	0.9
109.06591	9.0
111.04515	6.1
118.45688	0.7
128.37439	0.7
131.34541	0.7
135.04517	3.2
151.03961	0.9
153.05591	22.1
154.05942	0.8
179.03482	2.5
307.26389	2.3
319.30078	3.2
320.30582	0.9
349.11295	0.7
375.32687	20.8
376.32910	4.0
401.30472	1.4
419.31683	100.0
420.26602	0.6
420.31967	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3172
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
54.85983	0.9
71.35744	1.1
79.01895	1.3
87.04541	1.2
99.08151	1.8
116.47364	1.1
123.08172	8.6
140.30420	1.1
149.06131	1.8
167.07147	10.4
231.96747	1.1
246.62758	1.0
293.24960	2.6
305.28607	3.7
375.32687	32.9
376.33081	6.0
401.30359	1.2
419.31732	100.0
420.32074	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	419.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
58.00590	1.2
59.01379	2.2
61.98827	0.9
62.51741	0.3
63.82159	0.3
71.01385	1.1
71.05033	3.0
72.99316	0.7
73.02953	0.4
81.03456	1.1
83.01378	0.8
83.05016	0.4
85.02963	4.3
85.06601	0.8
87.00892	0.6
89.02419	0.4
92.98164	0.3
94.73502	0.3
96.96013	1.0
97.02964	0.3
97.06580	1.0
99.04527	1.3
99.08134	0.8
101.02446	0.8
101.06087	6.6
109.06619	0.4
111.08141	0.8
111.76269	0.3
113.02438	0.4
123.08171	1.7
125.02452	11.1
127.11317	1.0
137.09781	0.5
139.11295	0.4
141.09227	1.4
151.11453	0.4
157.12379	0.4
161.04564	0.5
168.06346	0.3
169.01410	0.4
172.50166	0.3
181.12326	0.4
181.97923	0.3
195.13832	0.4
195.17540	0.5
199.13399	0.7
201.14896	0.5
211.17014	0.5
213.14946	1.6
213.18477	1.4
223.08253	0.7
223.17062	1.7
225.18480	0.7
248.07693	0.3
257.17548	1.3
271.22702	0.7
295.22836	0.8
299.22168	0.5
315.25461	1.8
355.28259	0.3
371.27951	1.8
373.29688	3.6
397.08499	1.0
397.58652	0.4
401.29095	4.9
402.29550	0.5
419.30136	100.0
420.30487	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	419.28
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
55.01894	0.5
56.23142	0.4
56.32642	0.4
57.03453	4.0
58.44701	0.3
59.01374	1.0
61.95452	0.3
61.98834	2.2
68.99831	0.4
69.03472	0.8
71.05028	5.0
73.02937	0.5
77.03977	0.5
79.01895	2.8
79.42087	0.3
80.02703	0.5
81.03459	0.4
83.01390	0.9
83.05038	0.8
85.02969	1.2
89.02393	0.4
90.80860	0.4
92.08767	0.4
93.03479	0.9
95.01363	0.5
95.05036	10.4
96.05371	0.5
97.02957	3.4
97.06591	2.3
98.19929	1.0
104.17807	0.4
105.21053	0.4
109.02930	0.5
109.06624	0.6
113.02435	0.4
118.55231	0.4
121.03007	1.9
122.03781	1.2
123.08145	0.8
125.02490	0.5
135.04527	0.8
139.04021	20.3
140.04372	1.1
141.01982	1.4
150.59183	0.4
153.01945	0.4
153.12872	1.3
165.01970	2.1
166.02631	0.6
167.07169	0.9
180.04346	0.8
193.05174	0.4
207.13989	0.5
210.33952	0.4
249.15013	1.0
261.18604	0.5
277.21677	1.0
303.23312	0.5
315.26944	0.7
321.24399	0.6
333.28012	1.4
357.27917	1.8
358.28528	0.5
368.44861	0.4
373.27496	0.5
375.29086	3.6
376.29425	0.7
377.23178	2.7
401.27148	1.0
419.28140	100.0
420.28485	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	419.2443
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.60210	0.3
57.03453	4.9
59.01373	0.9
62.90182	0.3
65.00326	1.4
69.03448	2.1
69.67674	0.7
69.68075	1.8
71.04745	0.3
71.05034	3.9
80.26951	0.3
81.03462	9.8
83.01410	2.4
83.05034	1.3
85.02969	0.4
93.03465	0.4
95.01411	0.5
95.05044	1.2
97.02937	0.3
97.06604	0.8
98.19961	0.6
107.01393	1.3
109.06628	2.1
121.03026	0.5
122.03758	3.0
123.04571	0.7
124.01689	0.9
125.02458	21.4
125.06078	0.4
126.02785	1.4
127.07652	1.1
139.03993	2.4
151.00385	1.2
151.11238	0.3
152.01065	0.4
153.05591	1.5
163.06476	0.4
165.12889	0.5
166.02777	0.5
169.12306	0.6
175.25847	0.4
176.01816	0.4
179.03539	0.9
183.13916	0.4
193.05026	0.4
205.15987	2.5
207.13957	1.6
212.74886	0.3
219.17581	0.8
235.13414	3.5
236.13814	0.5
247.17027	6.3
248.17459	0.5
249.14970	0.6
259.17035	0.4
275.67029	0.3
291.16064	2.4
305.17548	1.0
334.50620	0.3
349.16409	1.8
375.25351	0.6
419.24426	100.0
420.24789	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2456
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03451	3.1
58.03806	0.4
59.01387	0.9
65.00332	1.0
66.82967	0.4
69.03477	1.5
70.76742	1.0
71.05032	0.7
79.01915	0.5
81.03465	6.3
81.03919	0.5
82.03818	0.9
83.01414	1.6
83.05032	1.8
85.02966	0.6
85.06595	2.5
92.75819	0.3
93.03492	1.2
95.01387	2.3
95.05045	1.0
96.01703	0.8
97.02937	0.9
97.06583	0.7
107.05100	0.6
109.06615	3.4
111.04547	2.0
121.06521	0.3
122.03748	0.9
123.00931	0.7
124.01748	2.0
125.02473	11.7
125.06081	0.6
125.09766	0.5
126.02831	2.2
127.02966	1.2
135.04634	0.6
135.62860	0.4
137.02594	0.4
139.04019	4.1
140.53784	0.4
151.00406	1.7
151.11285	0.7
152.01147	1.8
153.01498	1.1
153.05591	19.0
154.01669	0.9
154.05963	1.5
166.02716	1.4
167.03081	1.0
167.07153	0.4
168.03230	0.7
168.87665	0.4
170.02083	0.4
179.03555	2.2
180.04048	1.8
181.04091	1.1
191.10645	0.4
193.05061	0.9
193.12486	0.4
194.05525	0.8
207.06619	0.5
235.09810	0.9
235.13429	3.2
236.10167	0.6
237.10439	0.9
240.86885	0.4
249.15054	1.2
263.16656	0.7
287.16821	0.5
305.17709	0.6
349.16498	1.9
357.23883	0.4
397.83966	0.4
419.24142	100.0
420.24612	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	419.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38420	0.4
55.01884	0.6
57.03453	4.9
58.00598	0.6
59.01362	0.6
65.00286	0.4
69.03423	0.4
69.92074	1.8
70.41742	0.5
73.02982	0.5
79.01894	1.8
79.05307	0.4
81.03462	2.9
83.01369	0.5
83.05036	0.7
85.02951	2.4
85.06593	6.1
86.03287	0.9
87.00898	0.9
87.04508	7.0
91.05524	0.5
97.02962	2.1
97.06608	0.9
101.06136	0.6
107.05030	0.8
107.19174	0.4
109.06601	7.5
111.04521	5.3
122.03748	0.4
125.02456	8.9
125.93967	0.4
126.02817	0.7
135.04521	1.7
136.05266	0.7
137.02498	0.4
138.03239	0.5
151.00340	0.8
152.78415	0.4
153.05589	46.3
154.05905	2.3
160.71292	0.4
162.99461	0.4
168.03955	0.5
177.12917	0.4
179.03517	1.7
180.04279	0.9
192.35995	0.4
207.06677	0.5
287.20221	4.3
287.92752	0.4
319.22055	1.0
331.19131	2.3
357.20770	1.7
359.21194	0.5
419.24384	100.0
420.24731	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	419.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.1
58.00586	0.6
59.01391	1.3
65.00326	1.3
69.55382	2.8
71.05029	0.7
73.02959	0.9
81.02979	0.7
81.03463	14.6
82.03793	0.4
83.01382	2.6
83.05059	0.7
85.02982	2.2
85.06615	0.7
87.04523	7.7
93.03520	0.4
95.01391	0.8
95.05001	0.5
97.02974	0.5
97.06586	0.9
98.19837	0.9
107.01400	1.2
107.05024	0.4
109.06591	0.4
112.23921	0.4
121.10215	0.4
122.03743	1.8
123.04510	0.5
124.01609	0.6
125.02457	35.0
125.09728	0.8
126.02779	1.6
135.04501	0.6
149.93752	0.4
151.00380	1.5
152.01144	0.5
153.05592	2.4
166.02769	0.5
171.10196	0.4
177.12865	0.6
179.03520	0.7
205.79305	0.5
209.43480	0.5
242.26888	0.4
245.19028	1.0
247.16763	0.7
265.14572	1.4
287.20142	4.6
288.06079	0.4
288.20645	0.6
309.13290	0.8
331.19183	1.8
333.24197	2.2
333.85880	0.4
337.09991	0.5
375.25330	0.5
377.23318	0.6
419.24408	100.0
420.24762	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	419.2442
Annotation	Melissoidesin F
Peak:m/z	Relative Intensity
55.01883	1.0
57.03445	4.7
59.01385	5.3
61.94061	0.7
63.38559	0.7
71.01398	1.0
73.02965	4.4
79.01914	1.3
81.03473	1.0
83.01386	3.3
85.02959	100.0
86.03294	2.8
87.00883	31.3
87.04514	0.7
88.01205	0.7
95.05038	0.8
97.02949	1.4
99.04527	5.5
101.02472	1.3
111.00883	7.0
111.04545	1.0
112.34737	0.7
113.02468	1.7
115.04038	4.1
123.04548	5.1
124.01621	1.0
125.02455	10.4
138.03223	1.5
139.03992	1.2
143.03482	6.6
151.00336	1.8
166.02667	0.9
167.03519	13.9
168.03789	1.4
176.95915	0.7
185.04549	3.1
195.06604	0.8
204.64908	0.7
233.19061	1.2
251.20189	4.2
275.20090	3.8
277.21762	2.1
319.22797	50.1
320.23129	5.5
324.43420	0.8
331.22888	1.3
341.21118	1.3
347.22348	0.9
357.24268	1.2
359.22266	27.6
360.22708	4.2
375.25201	0.8
401.23276	4.0
419.24316	62.5
420.24686	9.9
431.34982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2442
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.99320	0.5
56.02806	0.6
57.03446	1.4
59.01389	0.8
62.32693	0.7
69.32620	0.6
69.81791	3.0
69.82195	1.2
71.05020	4.4
81.03461	1.2
83.05028	1.5
85.02940	3.4
95.05019	0.8
97.06567	0.7
98.20578	1.1
99.04568	3.2
104.44759	0.6
107.05043	1.4
109.02970	5.1
109.06582	1.1
111.04539	2.7
113.02447	0.9
113.80487	0.6
123.04543	3.2
125.02439	1.6
125.06066	2.1
127.04022	7.1
137.02505	1.0
146.31276	0.7
148.14966	0.6
149.02402	0.7
151.04053	4.4
152.04733	2.4
153.05565	2.0
164.04837	1.0
167.03488	2.2
169.05161	0.7
177.01970	0.8
177.05577	0.5
178.02682	3.6
180.99661	0.6
182.02287	0.7
191.07068	0.7
192.44318	0.6
205.04997	1.1
231.92583	0.6
285.18774	1.1
287.12961	1.1
287.16455	0.9
319.22998	0.6
329.17609	3.0
357.24353	0.6
359.22256	5.6
360.22855	1.7
363.21796	5.3
364.22266	0.7
373.23965	4.4
374.24445	1.0
375.25415	1.6
377.23346	1.4
390.21466	0.6
401.23346	27.1
402.23718	5.6
404.21942	1.9
419.24417	100.0
420.24731	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	419.2436
Annotation	Hamachilobene B
Peak:m/z	Relative Intensity
56.69397	1.4
57.03446	14.1
57.48960	1.3
59.01379	2.7
63.31472	1.2
68.99844	1.5
69.45061	3.4
69.45465	6.6
81.03471	6.5
83.01383	7.8
85.02967	2.3
90.93793	1.2
95.05016	1.5
96.96063	1.4
106.05268	1.1
109.02950	1.7
113.02408	1.9
123.04528	38.8
124.04878	1.7
125.02449	100.0
126.02776	4.5
141.01974	9.3
145.23360	1.3
149.02451	3.6
151.00400	4.9
167.03499	89.0
168.03790	3.7
193.01411	31.7
194.01738	2.0
225.22234	2.0
249.22136	2.6
252.60492	1.3
277.21732	5.4
293.21219	2.7
305.24811	1.3
349.23727	2.4
377.23288	20.5
378.23755	3.2
419.23959	31.8
420.24384	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	419.2441
Annotation	Melissoidesin F
Peak:m/z	Relative Intensity
55.01873	2.6
57.03446	4.6
58.19785	1.5
59.01377	4.2
70.93105	4.0
71.05022	5.9
71.91162	1.7
77.17297	1.8
78.89805	1.5
79.01899	9.2
81.03475	3.7
83.05002	2.2
85.02963	74.0
85.29327	1.5
86.03292	2.0
87.00886	3.7
95.01390	2.5
95.05027	13.2
97.06606	2.4
99.04525	9.8
111.00927	1.8
113.02483	1.9
113.06121	1.8
122.03762	1.7
123.04546	40.0
124.01653	3.2
125.02471	25.0
130.38870	1.6
136.05325	4.4
138.03249	9.2
138.98459	1.5
139.03957	2.0
141.05573	9.6
151.00368	7.7
151.03992	2.0
166.02707	4.5
167.03479	5.7
170.02289	3.7
179.03435	2.6
193.99005	1.6
205.62711	1.9
233.19148	3.3
275.20291	12.1
277.21768	2.3
287.23874	3.5
291.94962	1.7
305.24884	5.5
315.23459	8.5
319.22797	11.9
320.22940	2.6
329.24753	2.9
331.22699	3.3
341.21283	2.7
345.20667	1.9
357.24365	62.5
358.24640	7.4
359.22293	100.0
360.22684	12.5
373.23987	1.9
375.25369	3.9
383.22684	2.2
391.25305	3.1
401.23236	11.0
402.23993	5.7
403.24255	2.1
419.28317	13.0
420.28293	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03455	4.3
58.03765	0.5
59.01373	0.8
61.86558	0.4
65.00342	0.8
69.03442	0.6
69.97215	1.7
71.05031	2.0
73.83206	0.4
79.01882	0.8
81.03458	6.8
82.03837	0.8
83.01399	1.3
83.05024	0.8
85.02965	0.5
85.06587	3.5
87.04500	2.2
93.03436	0.3
95.01386	0.9
97.02957	0.6
97.06581	0.7
107.01409	0.8
109.06606	3.5
110.06968	0.5
111.04523	2.2
122.03728	1.1
124.01662	0.5
125.02459	13.4
126.02800	3.9
127.02891	2.1
135.04524	1.3
151.00375	1.2
151.04024	0.5
152.01054	0.6
152.04752	0.4
153.05583	19.1
154.05952	3.3
155.06117	1.5
165.01913	0.4
165.12976	0.4
166.02747	0.4
167.03070	0.4
170.52545	0.4
179.03497	1.9
180.04051	0.8
181.04137	0.5
193.05206	0.4
194.05785	0.5
205.15945	1.0
207.14000	0.7
208.07082	0.5
209.07742	0.3
247.17017	3.0
248.17224	0.6
287.20062	0.5
291.15961	1.1
299.20206	0.6
301.20898	1.2
331.18884	0.6
343.18539	0.6
345.19754	1.3
356.40503	0.4
375.20889	0.4
401.22647	2.4
419.23990	100.0
420.24542	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	419.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03436	1.6
59.01369	1.5
68.99799	0.4
69.03457	3.4
69.27869	3.8
71.05025	5.3
73.02948	0.9
79.01884	1.2
79.23516	0.4
81.03444	0.9
83.01388	0.7
83.04999	1.1
84.02163	0.6
85.02937	1.5
93.03469	0.7
95.01392	0.7
95.05041	6.3
96.96024	3.7
97.02418	0.5
97.02966	6.4
97.06600	0.8
99.04501	0.7
105.01144	0.4
107.05010	0.4
109.02967	2.0
111.04482	0.9
117.51820	0.4
121.02949	0.9
121.06644	0.7
122.03693	0.5
123.04528	0.8
124.01649	1.2
125.02456	2.5
125.06069	0.7
127.03979	1.5
135.04466	0.4
135.08073	0.5
136.05258	0.5
137.02437	1.4
138.03259	3.6
139.00371	0.8
139.04025	42.3
140.04340	2.1
149.05994	0.4
151.00372	0.4
152.01172	0.5
153.01878	0.4
153.05568	2.1
163.07657	0.7
165.01930	6.2
166.02728	16.0
167.03183	1.1
167.07053	0.6
170.02205	0.4
177.09227	0.5
179.03435	1.3
179.10782	0.6
180.04292	5.3
191.14410	1.0
193.05078	10.6
194.05846	2.6
198.01608	2.1
207.06642	2.2
212.03273	0.8
221.08124	3.2
222.08983	2.5
226.04820	0.7
233.15474	3.4
234.15895	0.5
235.09805	1.1
261.11432	0.6
275.12708	0.7
276.13574	2.0
277.14417	3.3
289.14542	0.4
355.30548	0.4
359.21899	0.4
401.19638	1.1
419.20648	100.0
420.20975	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2077
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
56.24507	0.6
57.03425	2.1
59.01382	1.5
65.00291	0.6
66.30942	0.6
67.01926	0.7
69.03441	2.8
70.03725	1.8
70.04126	1.0
71.05025	3.3
79.01882	1.0
81.03442	1.7
83.01402	1.2
83.05001	1.9
84.02167	1.2
85.02940	1.3
90.40654	0.5
93.03445	1.4
93.88284	0.6
95.01357	1.4
95.05029	6.1
96.95982	1.7
97.02964	4.8
97.06586	1.0
99.04517	1.5
109.02937	1.5
109.06583	1.0
123.00904	0.9
123.04488	1.1
123.25989	0.6
124.00850	1.1
124.01672	15.9
125.02489	6.0
125.06067	0.8
127.03989	2.4
129.94464	0.6
137.02454	8.8
137.09755	0.8
139.04021	77.2
140.04364	3.2
151.00343	1.1
152.01149	7.1
153.05542	0.9
165.01933	35.7
166.02634	3.6
177.05302	0.7
179.03459	3.8
179.07054	0.6
180.04219	1.3
191.07228	0.8
193.05052	4.2
200.28572	0.6
201.12683	1.1
207.06598	1.5
209.23613	0.7
217.12180	1.1
221.08344	1.1
223.09749	0.9
233.15469	1.8
235.09651	1.2
245.11768	0.9
261.11295	3.6
261.13547	0.7
277.14401	4.8
289.14343	1.3
296.04636	0.7
315.15796	0.7
317.13812	1.5
327.15701	0.8
343.15213	0.9
345.16818	1.1
359.22156	1.0
373.96442	0.6
375.17856	1.5
401.19434	2.3
419.20532	100.0
420.20963	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
60.35806	0.8
61.98830	2.2
66.52345	0.7
71.01385	3.5
73.02936	1.3
77.03967	1.1
79.95745	0.8
83.01378	0.9
85.02965	1.8
89.02430	1.5
91.89574	0.8
93.03475	2.9
95.01385	1.9
95.05031	1.9
96.96030	5.1
101.02448	1.5
105.03500	0.9
106.24401	0.8
108.02147	0.8
113.02443	1.4
121.02964	10.0
122.03786	3.7
123.04536	1.7
125.02469	4.8
132.02191	1.2
133.03017	0.7
147.04521	0.8
149.02461	100.0
149.06094	2.2
150.03258	25.6
151.03624	1.3
164.04814	14.7
165.05583	30.8
166.05911	1.5
169.01396	1.9
170.17122	0.8
179.03339	0.9
180.04271	2.0
195.06628	10.3
197.06152	1.0
208.07414	1.7
209.08131	3.1
223.09695	1.4
257.08136	1.2
271.02325	1.2
296.10532	1.4
300.02750	2.6
300.99924	1.2
311.12994	1.1
314.11661	1.1
327.12302	0.9
329.13934	5.8
356.12625	15.8
357.13113	2.0
371.15009	65.9
372.15292	9.7
389.12637	1.4
401.16019	1.0
415.10281	0.8
419.20984	5.7
419.29977	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	419.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82652	7.9
61.98831	35.5
68.32171	8.3
69.02845	7.8
70.57046	12.5
70.57418	26.5
79.95332	7.8
81.03461	11.4
82.21272	8.8
85.02966	12.7
96.96041	8.5
98.20556	8.5
98.84843	6.9
110.16560	8.0
118.53101	8.5
125.02492	13.6
130.70985	7.2
140.08266	8.4
141.01952	14.9
166.02760	12.3
206.16336	8.8
257.49091	9.8
277.21777	11.0
339.23315	16.4
359.22232	11.3
377.23389	27.4
382.90662	9.3
383.22299	100.0
384.22800	22.6
419.23621	60.3
419.28854	23.8
421.35883	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	419.1198
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.8
58.00602	0.6
59.01389	5.1
67.01881	1.2
69.03474	0.5
70.16560	0.9
70.16955	1.0
71.01387	5.7
73.02954	1.4
79.01904	1.0
83.01375	1.2
85.02957	2.8
89.02461	1.7
90.76335	0.4
95.01378	2.3
97.02940	0.7
98.20677	0.4
99.00874	0.5
101.02445	4.5
105.05592	1.3
107.01403	4.9
111.00884	2.3
113.02476	2.2
119.03547	0.6
123.00893	15.2
124.01759	0.6
125.02459	18.7
126.02795	0.8
127.00365	0.5
136.98827	0.8
137.02452	0.4
139.00403	4.7
140.01170	2.8
140.78343	0.4
141.01950	2.2
143.52509	0.4
145.28656	0.4
151.00377	11.9
152.01021	0.4
153.01933	0.5
168.00664	2.8
169.01434	24.9
170.01694	0.8
179.03618	0.4
211.02443	1.6
215.27837	0.4
253.03534	0.6
260.43466	0.4
271.04611	2.0
278.44818	0.4
313.05658	2.1
347.51715	0.4
419.11963	100.0
420.12317	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	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.9
61.98822	1.2
65.00334	1.3
67.20457	0.9
69.47900	7.3
71.01387	1.9
74.99096	2.5
83.01379	0.9
85.02960	1.5
85.03516	0.8
96.96018	1.7
106.06628	1.0
107.01361	1.5
111.00907	1.0
115.00423	1.0
117.05599	1.5
117.90368	0.9
123.00853	1.3
124.01686	5.5
125.02431	1.8
136.99136	3.2
137.02475	2.3
138.03252	1.5
138.52969	0.9
139.04010	6.4
140.70691	0.8
145.03018	1.0
151.00354	7.1
152.01189	4.2
153.05588	1.3
161.02473	1.5
169.01382	1.2
174.03209	4.1
175.04080	1.6
177.05580	1.2
178.99854	4.9
188.04739	0.9
189.05531	1.2
205.05034	1.2
206.05794	2.1
207.06712	1.9
221.08157	5.4
250.08441	1.9
253.05110	1.2
255.06734	1.0
257.11862	2.5
269.04544	10.4
275.14380	1.0
280.03812	2.2
281.04437	4.0
282.05301	1.2
285.07684	1.4
286.04697	1.0
287.05362	1.0
295.06000	1.2
296.17621	1.0
297.04034	2.7
298.04935	4.2
299.05518	2.4
300.02582	1.0
301.07263	4.3
311.05554	3.7
312.06351	3.8
313.07153	16.4
313.10440	1.6
314.07568	2.7
315.08591	1.2
326.07852	3.2
327.08664	15.4
328.05734	1.3
328.09109	2.6
329.06674	10.1
329.10364	2.3
333.00681	7.1
341.10214	1.4
343.08215	9.8
343.11697	1.9
344.08987	16.6
345.09146	2.6
358.10596	40.1
359.11340	65.7
360.11780	8.0
373.12915	62.9
374.13232	8.3
389.12408	17.4
390.12552	2.4
404.14752	68.2
405.15106	9.2
419.10446	5.2
419.17120	100.0
420.17511	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	418.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
56.46028	0.6
61.98855	0.5
67.19220	0.4
68.33826	0.4
69.68570	0.4
69.74700	2.8
71.61684	0.4
79.01899	1.6
81.74834	0.5
85.02998	0.7
85.06591	3.5
86.06923	1.1
97.02980	1.2
105.65380	0.5
107.05004	0.5
109.06595	5.4
110.06964	2.7
110.95670	0.4
111.04517	3.9
112.04861	1.2
135.04526	2.0
151.03996	0.6
153.05589	14.5
154.05949	6.8
179.03455	0.6
180.03993	0.8
305.25253	0.6
306.25208	1.8
318.28757	2.2
372.30112	0.7
373.31195	1.1
374.31491	20.4
375.31802	2.2
400.29343	1.3
409.90012	0.5
418.30463	100.0
419.31055	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	419.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15274	0.4
55.01888	1.6
58.14148	0.4
59.01379	2.3
63.85486	0.4
71.01385	3.1
71.61086	0.6
73.02937	0.7
74.99109	4.3
83.01399	1.6
85.02958	1.6
93.03481	0.6
96.96013	4.8
99.00884	0.7
99.04517	0.4
101.02438	2.2
111.00883	16.0
112.01255	0.5
113.02458	1.0
117.03469	22.1
118.03784	1.4
119.05029	17.5
119.05897	0.7
120.05409	1.0
121.02925	0.5
125.02457	1.1
127.05107	0.5
136.99158	6.5
139.00333	0.4
145.02956	100.0
145.06032	2.7
145.09850	1.9
146.03293	6.0
149.02390	0.6
153.34251	0.4
159.04543	0.9
161.06068	0.8
163.04013	12.3
164.04343	1.3
169.01433	0.6
187.04015	1.0
203.07294	0.4
205.05197	0.6
207.46812	0.5
247.06079	0.9
257.11826	0.9
307.08224	39.9
308.08591	3.8
336.50781	0.4
339.19470	0.5
341.10214	0.5
383.13467	0.9
403.37149	0.5
419.09824	17.0
419.14532	0.6
419.18506	1.4
420.10165	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	419.1198
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.57126	0.5
55.01886	0.6
57.00890	0.4
59.01127	0.7
59.01388	6.6
64.29855	0.5
65.00270	0.4
67.01893	1.0
68.99792	0.5
70.36967	1.8
71.01391	5.3
72.02095	0.4
72.99332	0.6
73.02943	1.8
79.01892	1.3
83.01395	0.9
85.02975	2.6
87.00868	0.5
89.02454	1.9
95.01400	2.1
97.02968	0.8
98.27671	0.4
101.02451	3.5
105.05571	0.9
107.01402	5.0
111.00920	2.2
113.02455	1.8
123.00898	15.7
124.01695	0.7
125.02457	20.6
126.02840	0.7
127.00422	0.8
136.98822	1.1
139.00391	5.0
140.01180	3.7
141.01929	1.9
151.00385	13.6
152.00768	0.5
153.01987	1.0
168.00624	3.4
169.01433	24.7
170.01776	1.7
211.02559	1.8
258.26718	0.4
271.04584	1.7
313.05563	2.2
335.80475	0.4
419.11984	100.0
420.12305	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	418.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01373	1.4
61.98834	100.0
63.44307	0.9
68.57093	0.8
69.03495	1.0
69.50387	6.0
73.75024	0.8
81.03461	1.0
85.02946	3.4
88.40575	0.8
95.01406	1.1
97.02957	1.6
98.19882	1.8
111.00887	0.9
113.02445	2.4
119.99342	1.2
123.04504	1.7
125.02423	1.4
127.04003	1.2
137.02425	0.9
139.04004	3.8
141.01964	1.4
229.28600	0.9
257.56870	1.0
319.22546	0.9
335.15897	0.9
355.19189	7.6
358.24744	1.4
361.41046	0.9
376.22043	3.7
377.23322	1.1
401.23346	1.0
418.27231	16.2
419.07291	1.7
419.24121	9.1
419.28162	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	418.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.01861	1.1
57.03435	4.1
59.01385	9.0
60.01695	1.1
69.03455	2.1
69.75617	4.9
71.05015	3.3
71.72272	1.1
73.02939	2.8
79.01881	2.2
81.03439	3.8
82.03787	1.2
83.01382	3.0
83.04988	1.8
85.02958	96.0
86.03301	20.3
87.00879	29.5
87.04494	1.5
88.01197	3.1
95.01345	1.8
95.05020	2.4
97.02975	2.7
99.04504	5.5
109.02910	1.7
109.06596	1.5
111.00864	5.0
112.01160	2.2
113.02427	1.4
115.04021	6.0
123.04527	7.0
124.01683	1.9
124.04826	1.7
125.02460	14.9
126.02766	3.3
127.03973	1.7
135.04488	1.6
137.02441	2.4
138.03165	1.7
139.03908	2.5
140.04288	1.4
141.01900	2.8
141.17015	1.1
143.03513	7.6
144.03824	1.9
149.02467	1.3
151.00273	2.9
151.03912	1.3
153.05547	5.2
154.05888	3.2
166.02676	3.1
167.03525	8.9
168.03816	4.5
179.03513	1.5
185.04517	2.1
249.18585	2.5
250.18895	3.7
274.18900	2.6
276.20361	1.4
291.12384	2.4
317.21182	9.6
318.17960	2.2
318.21573	43.8
319.21771	3.9
319.32773	1.3
340.19595	1.4
357.20590	3.1
358.21048	30.1
359.21429	3.2
362.20139	1.9
372.22485	2.7
374.23987	2.6
376.21991	3.1
377.23224	1.7
398.65210	1.8
400.22034	11.8
401.23022	6.1
418.22940	100.0
419.23657	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	418.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03460	9.3
59.01384	2.1
61.98837	100.0
65.00336	8.7
69.67713	1.2
70.17847	3.0
70.18251	3.0
71.05025	5.8
75.06491	1.2
79.01903	1.9
79.22003	1.1
81.03469	3.5
83.01381	5.1
83.05022	2.9
85.02963	11.1
85.06581	1.4
86.03310	1.4
87.00893	1.5
97.06617	2.0
99.04518	4.1
107.05015	1.6
109.02962	5.6
109.06608	1.2
111.04494	4.1
119.09362	1.4
122.03732	1.5
123.04520	6.8
125.02456	53.9
125.06065	2.2
126.02810	3.3
127.04038	7.0
128.04390	1.6
135.04523	1.4
137.02423	3.2
138.03236	1.3
145.82925	1.6
149.06044	1.3
151.03995	3.9
152.04749	2.1
153.05580	11.7
154.05878	4.1
158.82941	1.4
163.03990	1.8
164.04823	1.3
165.05486	1.7
167.03464	4.4
169.05083	2.3
178.02737	1.4
193.04881	1.5
195.06595	3.0
289.14435	2.6
311.20569	1.5
319.22891	2.1
354.07123	1.3
355.19177	26.8
356.19431	2.9
359.22217	5.6
363.21786	4.0
372.18872	5.1
373.23749	4.2
400.22095	12.6
401.23233	15.5
418.22949	26.9
419.24484	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.8
61.98837	100.0
63.49921	2.4
69.70491	17.3
78.58526	2.3
85.02979	3.6
85.24646	2.4
97.02927	3.3
98.20656	4.1
113.02453	2.6
125.02435	2.9
135.97499	2.4
139.04050	4.0
141.01920	2.7
185.43140	2.5
294.80865	2.8
358.24771	3.1
377.23306	6.0
418.27039	30.5
419.24103	9.7
419.28241	9.1
437.32803	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	418.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46825	1.7
61.98834	100.0
70.92897	4.5
77.42830	1.8
85.02934	1.8
92.52338	1.8
95.05040	2.2
123.08098	2.0
125.02377	2.6
158.44148	1.8
167.07195	2.9
188.14984	2.0
189.01526	2.0
204.01204	2.2
302.22110	2.1
311.20065	3.6
355.19168	29.7
356.19345	5.0
357.91165	1.9
418.26947	33.0
419.23877	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	418.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88732	1.1
57.03443	6.4
57.87335	1.3
59.01382	1.3
61.98834	100.0
65.00336	6.5
69.30757	8.3
69.31179	4.0
71.05036	7.6
77.90072	1.1
83.01398	5.6
83.05022	2.3
85.02949	3.7
87.00862	1.5
97.02966	1.5
99.04525	4.3
108.02258	1.3
108.49311	1.3
109.02944	3.1
111.04527	2.7
123.04515	3.1
125.02461	47.8
125.06084	2.9
126.02802	2.2
127.04027	6.0
128.04370	2.3
135.00966	1.5
137.02393	1.6
139.04015	1.8
141.01923	1.2
148.54208	1.3
151.04008	3.9
153.05533	6.2
154.05937	1.5
163.07831	1.3
164.04855	1.5
165.05547	1.9
167.60196	1.2
178.02574	1.7
193.05087	2.0
194.05365	2.2
311.20187	1.7
332.15884	2.4
355.19205	22.4
356.19482	4.6
356.66995	1.3
358.20837	2.6
362.20679	2.9
372.22589	3.8
376.21570	1.6
400.22165	18.0
401.23022	4.8
418.23145	73.2
419.24197	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	417.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05555	4.1
51.24689	3.2
53.45566	3.5
59.01385	100.0
59.23243	3.0
70.75809	8.0
70.76164	6.5
79.01932	4.1
85.02957	8.3
89.39368	3.4
106.66660	3.8
109.06618	4.7
125.44635	3.4
155.06075	3.5
170.91107	3.4
182.52301	3.7
283.93417	3.4
289.05460	5.0
357.20514	6.3
399.21475	8.4
417.21591	24.2
417.29446	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82437	1.8
51.14964	1.7
53.39068	2.0
61.98837	100.0
69.60255	13.8
69.60592	2.8
131.96434	1.9
166.02774	2.0
179.03545	2.1
290.58350	2.3
311.20483	2.8
334.43674	2.1
355.19193	25.7
356.19336	5.3
418.27194	10.2
429.83456	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	417.3014
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
51.79678	0.7
54.17479	0.7
59.01358	0.8
69.90227	3.7
76.95103	0.6
77.03941	0.8
77.38667	0.7
79.01898	1.6
85.02972	1.2
97.02960	0.8
98.20527	1.1
109.02966	1.5
111.04478	1.1
123.04508	1.2
123.13897	0.7
124.80565	0.6
135.04527	0.8
137.02443	3.1
138.03235	12.7
140.26268	0.9
149.06088	1.2
151.03999	1.2
153.05592	9.1
164.01147	1.1
165.01933	5.9
166.02731	19.3
170.02216	1.4
179.03468	3.1
180.04254	3.8
193.05081	8.1
207.06589	1.4
221.08113	1.1
249.11304	3.8
298.17804	0.9
303.16003	2.1
317.17511	3.0
341.28378	1.0
357.20602	1.0
385.27115	0.8
401.26880	1.6
402.27374	1.2
417.30130	100.0
418.30472	19.9
437.86780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87251	0.5
57.03439	1.1
59.01373	1.1
63.36801	0.5
65.00318	1.8
71.60661	0.7
75.49911	0.5
76.70263	0.5
81.03461	19.2
82.03768	0.7
83.01397	1.3
94.77036	0.5
95.04991	0.6
102.98276	0.5
107.01385	0.9
109.06583	0.6
111.08215	0.5
116.28645	0.6
122.03761	2.2
123.04502	0.7
125.02462	6.9
135.04570	0.8
151.00359	2.0
331.30048	2.1
333.27966	5.3
334.28186	0.7
355.22418	0.6
357.20541	0.9
368.76627	0.6
373.31137	36.1
374.31485	7.5
399.29117	1.2
410.77374	0.6
417.30127	100.0
418.30518	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3013
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
55.01880	1.0
69.59386	2.0
71.05043	0.3
73.02957	0.8
79.01891	2.4
81.03496	0.5
85.06602	4.5
91.05489	0.6
93.03468	0.4
95.05029	0.5
97.02953	1.6
98.19929	0.4
107.05033	1.3
109.06601	8.5
110.06966	0.3
111.04536	5.2
112.04902	0.3
135.04529	3.4
135.76534	0.3
138.03241	0.3
149.06079	0.9
150.06819	0.3
151.04012	1.1
153.05594	20.7
154.05936	1.1
162.06906	0.4
166.06091	0.3
175.60320	0.3
179.03534	2.0
180.04248	0.7
202.76842	0.3
211.99109	0.3
236.63953	0.3
263.12842	0.3
305.24951	2.3
305.39627	0.3
306.25351	0.4
317.28671	2.3
318.28955	0.5
331.30203	0.5
371.29758	0.9
373.31131	19.9
374.31506	3.5
399.29086	1.0
417.30115	100.0
418.30466	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	417.2655
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
52.17781	1.5
57.03445	3.1
59.01366	5.6
64.48795	1.4
68.99837	1.9
71.04990	1.4
83.01363	2.3
85.02957	4.7
85.06590	3.6
96.57861	1.3
97.06606	1.7
101.84386	1.4
108.02159	2.9
113.06111	7.6
115.39723	1.5
123.04524	2.8
125.02496	9.4
127.09885	1.4
137.06076	2.4
139.04039	9.4
141.05597	22.5
165.05518	1.5
166.06384	4.1
181.05064	5.4
183.06668	1.6
192.07965	1.5
206.22546	1.7
249.73550	1.5
251.20241	2.1
275.20132	3.4
289.05399	2.6
357.24335	5.9
358.25015	3.2
359.22226	2.2
371.25827	2.6
373.27243	7.5
375.25232	6.2
417.21490	4.9
417.26501	100.0
418.21823	1.8
418.26865	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	417.2651
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
55.01880	1.2
57.03437	1.8
67.36768	1.2
70.83463	2.6
71.05045	1.6
83.01398	2.0
83.05058	1.4
85.02972	5.7
87.00870	4.7
95.01407	1.6
95.05052	1.3
99.04490	1.7
99.10903	1.2
106.54427	1.1
107.05048	2.4
109.02956	2.2
109.06577	4.0
111.04521	3.2
113.02497	1.8
115.29485	1.1
123.04540	4.6
123.08154	3.9
124.01627	1.1
127.03952	1.5
136.27229	1.3
137.02454	1.5
137.09717	1.7
139.07713	1.3
151.04015	1.5
152.04822	2.0
153.05553	2.1
164.04852	1.5
165.05466	1.3
167.03395	1.3
181.95171	1.0
193.05104	1.5
207.06648	5.0
209.08258	1.6
244.53659	1.1
249.18443	1.5
317.24933	1.5
342.11987	1.1
350.61371	1.3
355.22693	1.7
355.26651	2.0
357.20575	1.9
357.24405	7.8
358.25049	1.4
371.25873	3.5
373.27563	7.8
374.27704	2.4
375.25369	2.8
382.75696	1.3
399.25519	9.2
417.26529	100.0
418.26877	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	417.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.3
59.01376	4.6
60.75776	1.5
61.98830	19.8
65.00330	4.6
66.58886	1.6
69.03476	3.7
69.52809	12.8
71.05020	7.0
81.03449	12.0
83.01403	12.8
83.05030	5.9
85.02963	5.5
85.06601	2.3
88.98791	1.9
91.57107	1.4
95.01400	12.0
95.05055	2.6
95.91525	1.4
97.02959	4.0
99.00891	6.8
99.04542	7.6
100.02046	1.5
107.01358	2.0
107.05053	2.6
108.02213	2.4
109.02938	3.7
109.06594	5.1
111.00919	4.1
111.04561	3.8
122.03718	1.8
123.00897	5.1
123.04543	9.3
124.01727	9.1
125.02454	68.8
125.06076	2.9
127.04015	16.3
130.55255	1.5
135.04546	2.4
137.02432	3.0
139.00334	1.6
139.04025	4.1
141.01947	13.8
142.02165	1.9
149.02467	2.3
149.06071	3.2
151.00389	11.4
151.03990	10.0
152.01167	7.2
152.04741	3.2
153.05563	20.4
154.02711	1.4
165.05557	5.0
166.02728	16.7
167.03481	6.0
167.07155	2.2
169.05077	10.6
177.02014	2.5
177.09129	2.3
179.03499	14.3
180.04257	3.1
193.05063	18.2
194.05721	1.8
205.12207	3.0
207.06578	4.6
211.06108	9.1
221.08133	3.4
235.09766	5.4
249.11356	4.7
250.12122	2.4
289.14438	4.6
289.18036	2.8
290.15198	3.5
291.12405	17.7
300.51660	1.5
303.16104	2.0
306.14639	2.5
311.20248	1.9
331.15601	3.8
355.19122	6.0
355.23013	1.7
357.20914	2.8
361.20398	2.6
371.22281	4.9
373.23819	2.4
375.21368	5.0
382.42334	1.8
389.23264	1.9
399.21725	45.9
400.21896	6.2
417.22729	100.0
418.23062	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	417.2649
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
53.34068	0.5
57.03445	3.4
69.73093	1.7
69.73504	1.3
71.05028	4.8
71.95679	0.5
79.01895	2.2
90.82584	0.6
95.05037	10.5
97.02937	4.0
102.92712	0.5
109.02953	0.6
121.02959	1.9
122.03731	2.0
135.04518	0.8
136.05302	1.4
139.04025	22.6
140.04329	0.9
165.01921	1.9
166.02730	1.7
180.04283	0.9
193.05077	0.6
245.19122	0.6
247.17171	0.8
259.20670	2.9
283.20779	0.9
286.19370	0.8
301.21713	10.7
301.25113	0.7
302.22153	1.2
345.20764	3.2
373.27573	1.0
417.26498	100.0
418.26889	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	417.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
56.50784	0.6
57.03438	1.8
59.01363	2.0
65.73595	0.7
66.52689	0.6
70.01977	2.6
70.80882	0.7
71.05027	18.3
72.87761	0.6
83.01395	1.5
83.05021	1.2
85.02952	2.3
95.01381	0.7
97.02962	1.6
97.06586	1.2
99.04522	5.5
107.05026	2.7
109.02976	6.5
109.06575	1.8
111.04513	3.0
113.02438	0.9
123.04525	5.4
125.02453	1.6
125.06113	4.0
127.04025	8.9
137.02400	1.0
149.02405	0.8
149.06093	1.1
150.03120	0.8
151.04013	6.5
152.04761	2.7
153.05582	2.8
156.35919	0.6
158.70880	0.7
162.06908	0.7
163.04016	1.3
164.04771	1.7
165.05576	1.1
167.03488	2.1
168.19756	0.6
169.05046	1.4
174.44641	0.7
175.07721	0.8
177.01883	1.1
177.05537	0.7
178.02679	2.9
178.06329	0.8
182.02162	0.8
193.05023	1.9
211.06165	1.0
265.17984	1.0
289.17868	0.9
317.90414	0.6
329.21448	0.9
331.15524	0.8
357.20676	5.8
358.21176	1.7
361.20209	5.9
362.20648	1.1
371.22141	4.5
373.23672	1.9
375.21637	2.1
399.21762	25.8
400.21985	4.6
402.20258	1.0
417.22815	100.0
418.23148	17.8
427.90100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	13.7
59.01369	1.8
65.00317	0.9
71.61572	0.5
77.90466	0.4
81.03464	5.9
83.01395	6.4
85.02948	2.9
85.06591	0.5
86.07561	0.4
95.01398	1.0
95.05043	2.0
95.96542	0.4
97.02953	0.7
97.06598	0.6
103.11987	0.4
107.01399	1.7
109.02971	0.5
111.04524	0.5
113.02458	3.1
113.06101	1.7
121.02948	0.9
123.04542	29.2
124.04867	1.4
125.02461	100.0
126.02782	3.1
137.02470	1.0
139.04016	0.6
141.05591	4.3
149.02394	2.0
151.00392	4.9
151.04066	0.4
153.01981	1.1
159.10730	0.4
165.05606	0.7
166.06335	0.5
167.03516	66.8
168.03874	3.8
181.05110	0.7
191.03467	0.5
193.01428	24.5
194.01843	1.5
247.20686	0.6
253.43225	0.4
275.20258	1.1
291.19745	1.9
303.23315	1.1
331.26602	0.7
347.22784	0.4
357.20563	0.6
357.24530	2.5
358.25101	1.0
359.22217	0.7
371.25833	0.5
373.27661	1.8
375.21368	0.5
375.25571	1.4
399.21802	1.1
417.26672	24.4
418.26904	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	417.2283
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
54.66638	0.5
57.03452	7.0
59.01361	1.7
59.55720	0.5
60.72566	0.6
61.40661	0.5
63.02360	0.6
65.00324	2.3
69.03419	0.7
69.85749	2.6
73.02943	1.5
81.03465	15.6
82.03809	1.1
83.01407	3.4
83.05036	1.3
85.02961	6.2
87.00887	1.5
95.01379	1.8
95.05047	1.0
98.19928	0.6
99.97707	0.8
107.01392	1.4
111.00899	0.8
122.03747	2.6
123.00913	0.7
123.04515	0.9
124.01692	1.3
125.02455	41.8
126.02749	1.7
135.04535	1.5
151.00311	3.3
152.01186	3.7
166.02704	3.1
167.12593	0.7
179.03470	3.3
180.04008	0.9
191.83975	0.7
193.05128	0.8
221.08275	1.0
223.63875	0.6
231.17503	0.9
235.09892	1.4
247.17116	1.0
257.19128	1.5
259.17004	1.5
269.19138	0.7
273.18588	2.2
299.20169	5.3
303.16153	0.7
316.63803	0.6
317.21194	2.3
329.21317	1.0
341.17316	0.8
343.19138	4.2
357.20679	1.5
373.20212	0.8
399.21793	7.4
400.22003	0.8
417.22821	100.0
418.23111	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	417.2284
Annotation	21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
52.88693	0.8
57.03450	3.7
59.01373	5.1
64.52739	0.8
69.03458	1.6
69.64455	2.9
69.64895	2.2
71.05003	1.0
73.02950	2.7
77.99464	0.7
78.84148	0.9
79.01875	1.8
81.03480	1.4
83.01392	2.6
85.02956	100.0
86.03288	1.8
87.00883	29.8
95.05050	1.2
97.02933	1.8
97.06573	1.0
98.20531	1.0
99.04523	4.9
100.57116	0.8
101.02477	1.4
101.89365	0.8
104.25722	0.8
111.00880	7.8
115.04009	3.9
123.04566	5.1
123.05330	0.9
124.01700	1.5
125.02461	11.0
138.03239	2.5
139.04024	1.2
143.03488	7.0
151.00362	1.2
153.05516	0.9
167.03491	12.5
185.04599	1.9
190.15536	0.9
196.65149	0.9
234.72032	0.9
249.18629	3.6
273.18616	2.5
317.21222	44.3
318.21539	6.4
355.19138	1.2
357.16266	1.7
357.20718	29.6
358.21017	3.7
371.66971	0.9
399.21902	3.6
400.22400	1.0
417.22855	57.5
418.23145	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	417.2285
Annotation	21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
50.88471	1.0
55.01878	1.5
57.03454	6.4
58.32351	0.8
59.01384	7.7
67.01878	1.3
69.03455	1.6
71.01401	1.9
71.05022	2.7
71.60764	0.9
73.02946	3.1
79.01893	3.6
81.03477	1.8
83.01392	3.0
83.05027	1.1
85.02957	100.0
86.03290	2.7
87.00881	26.3
95.05045	5.3
96.93349	1.1
97.02956	3.5
99.04532	7.9
109.02970	1.5
111.00900	7.4
113.02451	3.3
115.04043	4.9
122.03727	1.0
123.00958	0.9
123.04538	7.0
123.08098	0.9
124.01657	1.2
125.02450	14.2
127.04057	1.2
138.03212	3.8
139.04033	7.3
141.01923	4.3
141.05557	1.4
143.03500	6.7
151.00366	1.9
153.05550	1.8
165.02003	1.1
166.02696	1.1
167.03490	11.5
170.02258	1.5
179.03545	1.2
185.04556	2.9
226.50377	0.9
226.52737	1.0
231.17413	1.2
249.18642	1.7
273.18597	2.9
275.20123	2.1
317.17468	1.9
317.21213	39.3
318.21411	5.4
329.21210	1.5
339.19669	1.3
355.22742	1.3
357.20743	30.0
358.21048	5.3
373.23721	1.8
375.21478	5.7
399.21579	5.6
417.22144	77.6
418.22577	12.7
418.27777	1.7
424.93146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59936	2.3
55.01876	3.7
55.95145	2.3
57.03450	4.0
59.01370	4.1
60.96040	2.1
64.52198	2.2
67.17490	2.3
69.53929	13.3
71.05040	4.7
75.28427	2.2
79.01900	12.1
81.03437	2.5
85.02957	78.9
86.03280	3.4
87.00887	3.6
95.05040	13.0
97.02938	2.9
97.28396	2.3
98.20602	4.4
99.04524	8.3
101.59157	2.5
123.04519	42.2
125.02448	18.5
136.05269	3.7
136.43658	2.4
138.03209	9.3
139.03976	2.9
141.05569	6.5
151.00357	7.8
164.04839	2.2
165.02054	2.1
166.02702	2.9
167.03511	6.6
170.02223	5.7
179.03494	3.1
249.11220	3.1
263.08105	2.4
273.18600	4.8
313.21655	10.6
317.21240	11.9
318.21667	2.9
355.22772	59.4
356.23160	8.8
357.20709	100.0
358.21234	16.1
381.63220	2.2
399.21817	11.4
400.22382	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	417.2285
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
55.01861	0.8
68.48206	0.7
69.76344	2.7
73.02937	2.3
79.01896	1.9
81.03456	1.3
83.05022	0.8
85.06602	8.6
88.22642	0.6
92.17302	0.7
97.02955	1.9
97.06602	1.3
101.32448	0.5
107.05070	0.7
107.08601	0.7
109.06606	10.4
111.04526	6.8
125.02451	2.5
135.04510	2.1
149.06021	0.8
151.03983	1.3
151.07671	0.7
153.05594	58.1
154.05917	2.6
165.01942	1.1
171.01692	0.6
179.03494	4.1
180.04250	4.0
193.04997	1.0
194.05931	2.9
207.06688	3.6
221.08194	1.4
226.55101	0.7
235.09703	1.0
247.17029	0.9
273.18515	1.1
289.14569	0.6
299.20218	2.6
341.17648	1.0
343.19229	3.8
355.19315	0.8
399.21707	3.7
417.22855	100.0
418.23221	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	417.2284
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
56.98996	0.5
57.03457	4.9
59.01368	0.9
65.00320	1.4
67.07413	0.4
69.51569	1.6
69.51991	1.8
71.05029	0.6
73.02945	1.8
81.03467	10.5
83.01401	2.4
83.05032	0.8
85.06602	1.7
95.01417	1.2
97.02917	0.6
97.06600	1.0
100.15807	0.5
107.01402	1.1
107.05072	0.5
108.84076	0.5
109.06604	1.9
111.04509	1.5
122.03725	1.4
123.00837	0.6
123.04524	0.8
124.01678	2.4
125.02451	30.6
126.02810	1.0
135.04527	1.5
151.00363	1.9
151.07648	0.6
152.01146	2.9
153.05585	13.3
166.01494	0.5
166.02672	2.9
179.03557	3.1
180.04292	1.0
193.05135	1.2
194.05771	0.9
207.06613	0.9
221.08182	0.8
231.17584	0.7
235.09773	1.2
247.17010	1.2
249.11449	0.5
257.19089	1.1
259.17163	0.5
273.18564	1.3
287.20099	0.7
289.14673	0.7
297.18378	0.6
299.20233	4.0
300.20529	0.7
311.19885	0.8
329.21176	0.8
341.17493	1.0
343.19052	3.6
344.19501	0.7
355.19092	0.6
362.16867	0.5
373.20102	0.7
374.25244	0.5
399.21887	4.6
400.22046	0.9
417.22836	100.0
418.23169	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03439	2.2
59.01384	100.0
60.01714	1.8
69.29074	10.8
71.01392	26.2
73.02954	7.8
83.01376	3.4
85.02961	14.0
85.35399	1.2
86.41481	1.2
87.06927	1.2
89.02467	4.3
95.01412	3.2
97.02972	1.8
98.20573	2.6
99.00893	3.4
101.02457	18.3
113.02471	11.9
117.05580	2.0
123.04520	4.4
124.04861	1.6
125.02437	1.8
137.02449	2.3
153.05597	4.9
154.05888	2.4
155.06065	1.6
158.11314	1.2
159.03001	3.1
161.04576	38.8
165.09273	3.5
205.03551	2.0
222.58002	1.5
319.27246	1.3
357.15594	16.4
358.15845	2.4
387.14560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2286
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
57.03455	3.8
57.11274	0.5
59.01381	2.3
69.42735	1.5
69.43150	3.0
70.28247	0.6
71.05037	3.5
72.50895	0.5
73.74375	0.6
79.01876	0.7
81.03478	2.9
81.08759	0.6
83.01386	1.8
83.05028	1.5
85.02962	5.7
87.00860	1.5
95.01407	0.9
95.05087	0.5
97.06593	0.9
98.20596	1.2
99.04523	2.1
107.05038	1.2
109.02938	3.4
109.06591	0.6
111.04546	1.4
113.02467	1.1
123.04520	2.1
124.01621	0.9
125.02458	24.9
125.06084	1.7
126.02779	1.1
127.04003	5.5
137.02428	1.2
138.03281	1.0
139.04048	1.6
141.05551	0.8
149.02466	1.0
151.04057	3.2
151.30664	0.5
152.04768	1.8
153.01962	1.3
153.05579	3.7
163.07585	0.5
164.04761	1.8
165.02098	0.5
166.02704	1.3
167.03503	4.9
177.05576	0.7
178.02722	2.9
179.03490	1.2
181.05054	1.0
191.07179	1.8
192.04314	1.1
193.04909	0.7
195.14001	0.6
205.05072	1.8
206.09445	1.0
209.08238	1.5
223.06137	0.7
247.09706	1.6
249.11424	1.2
259.13385	0.9
275.20053	0.7
285.14984	1.3
285.18350	0.8
287.12946	3.8
287.16260	0.9
303.16003	0.8
305.13843	1.1
317.21274	2.5
329.17609	1.5
331.15588	0.8
355.22946	0.7
357.20721	3.8
358.21164	1.0
361.19995	3.1
371.22260	2.1
373.23834	1.5
375.21497	1.6
399.21777	14.2
400.22122	2.0
402.20523	0.7
417.22836	100.0
418.23190	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	417.2284
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
56.43158	0.4
57.03453	3.0
58.85859	0.4
59.01358	0.4
65.00313	1.0
69.03441	0.8
70.07719	1.8
78.10630	0.4
81.03461	6.5
83.01398	1.7
83.05027	1.6
85.02965	0.9
93.03448	2.4
94.03855	0.4
95.01389	6.2
98.04516	0.4
99.13396	0.5
107.01382	0.5
108.02187	0.4
110.03755	0.6
113.02444	0.4
122.03757	0.7
122.77888	0.4
123.00888	3.3
124.01667	7.1
125.02459	16.1
125.06101	0.5
126.02768	0.6
135.04543	1.1
149.06114	0.6
151.00378	5.7
152.01166	11.1
165.01897	0.4
166.02715	9.6
167.03159	0.6
177.09128	0.6
179.03499	9.5
180.04128	1.2
191.10822	2.0
193.05054	3.4
198.01765	0.4
206.70399	0.4
207.06641	0.8
221.08197	2.3
235.09740	6.4
236.10400	1.7
247.16968	2.3
261.18625	1.0
273.18695	0.4
275.12741	0.6
287.87125	0.4
290.15274	1.6
291.15991	2.0
305.17468	0.6
310.01627	0.5
313.21664	0.5
355.22733	0.6
373.23865	1.4
417.22849	100.0
418.23193	14.7
418.28748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03461	0.4
59.01385	6.3
59.44353	0.3
65.00346	0.5
67.01882	1.2
69.78442	0.9
69.78845	1.4
71.01391	4.4
71.90739	0.3
72.99295	0.8
73.02946	1.6
79.01888	0.5
83.01401	1.4
85.02963	2.5
89.02440	2.2
93.03482	0.7
94.23079	0.4
95.01383	2.3
97.02973	0.7
98.44885	0.4
99.00893	1.1
101.02442	3.8
103.04031	0.6
107.01390	3.6
108.02197	0.9
108.25435	0.4
110.00106	0.8
111.00905	2.8
111.03290	0.8
113.02445	2.3
119.03503	0.6
123.00899	14.9
124.01664	1.2
125.02460	15.3
126.02764	0.7
127.00414	0.8
136.98833	1.4
137.02435	2.1
139.00394	6.3
140.01193	3.4
141.01991	2.1
151.00381	11.4
151.04001	0.5
152.01123	1.5
153.01982	1.1
154.99939	0.5
163.04092	0.6
166.99866	0.4
168.00674	4.3
169.01437	20.7
170.01811	1.7
179.03529	1.0
181.05031	0.5
182.11856	0.6
209.04576	0.4
211.02495	1.8
232.77916	0.4
239.05658	0.5
248.45940	0.4
265.09268	0.9
271.04663	1.9
313.05731	1.2
374.75281	0.5
375.81757	0.4
417.14084	100.0
418.14261	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Itoside I
Peak:m/z	Relative Intensity
52.14139	0.4
55.01866	0.9
57.03440	0.7
59.01388	5.4
61.98850	0.5
67.01895	1.1
68.99814	0.5
69.03450	0.6
70.19140	1.5
71.01387	8.0
72.99304	0.9
73.02959	2.3
79.01899	1.1
81.00832	0.4
83.01405	2.3
85.02964	3.7
87.00887	0.7
88.76855	0.4
89.02463	2.4
93.03484	0.5
95.01396	2.5
96.96033	0.5
97.02972	1.4
99.00878	1.0
101.02451	5.6
107.01386	3.2
109.02993	0.7
110.00074	0.5
111.00890	2.9
111.03275	2.0
113.02458	2.8
119.03477	0.6
121.02964	5.1
123.00898	17.0
124.01663	2.0
125.02451	18.8
126.02834	1.0
127.00368	0.9
133.05075	0.6
135.04536	0.8
136.98801	2.0
137.02454	1.8
139.00381	6.0
140.01175	4.3
141.01927	1.6
149.06053	0.8
151.00392	13.0
151.03957	0.6
152.00926	1.0
153.01950	0.9
161.04570	2.0
163.04050	0.5
166.06371	20.8
167.03532	0.9
167.06686	1.2
168.00629	4.2
169.01445	20.6
170.01775	0.9
177.01920	0.7
180.78465	0.5
181.08714	17.9
182.09033	0.9
182.11922	1.1
211.02519	1.0
219.03011	0.5
235.08253	0.8
237.03891	0.5
271.04666	0.7
290.93726	0.5
313.05627	1.3
348.19266	0.4
401.89606	0.5
410.61032	0.5
417.02570	2.4
417.14044	100.0
418.14011	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01096	1.5
59.01385	25.8
60.47047	0.8
63.94081	0.8
70.13231	3.3
71.01388	9.3
85.02963	13.9
89.02444	11.3
90.68940	0.9
95.01368	1.1
101.02456	7.3
101.06102	0.9
103.03480	0.6
103.04016	23.1
107.01388	4.9
111.00887	1.9
113.02473	4.2
119.03526	4.8
123.00877	3.0
124.01684	2.0
125.02453	24.1
136.98846	1.0
137.02382	1.4
139.00414	1.9
140.01157	2.7
151.00366	1.3
165.01967	1.2
167.03444	1.2
168.00645	15.0
169.01430	37.6
170.01758	2.7
179.05653	0.8
211.02484	50.6
212.02855	2.9
241.03656	1.2
265.09286	55.9
266.09717	4.0
271.04596	55.9
272.04932	4.5
313.05591	2.7
331.06781	6.8
332.06985	1.4
399.09470	1.1
417.10382	100.0
418.10684	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	417.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03450	2.3
59.01385	29.7
60.01713	0.9
61.98839	6.8
67.01889	1.2
69.55042	6.4
71.01389	21.3
72.99312	2.0
73.02959	4.1
75.00862	0.9
79.01879	1.8
83.01382	4.0
85.02966	8.3
87.00901	2.7
89.02447	5.5
91.01919	0.9
94.47173	0.8
95.01405	3.4
96.96024	4.3
97.02932	1.2
99.00891	2.9
99.04552	1.1
101.02446	12.7
102.95819	0.8
107.01405	4.6
108.02192	2.6
109.02948	1.3
111.00899	3.5
113.02457	7.8
117.05595	3.2
119.03534	1.9
120.00982	0.8
120.99709	1.1
123.00892	16.1
123.04533	2.2
124.01714	1.3
125.02457	17.4
127.00389	2.3
136.98828	1.8
137.02528	1.5
139.00398	6.6
139.04039	1.7
139.07661	6.0
140.01178	5.5
141.01944	1.4
151.00395	12.9
151.03989	0.9
152.01129	3.2
153.01950	1.7
155.03487	2.0
159.03017	2.2
161.04572	17.4
163.04134	1.0
164.95073	0.8
165.01961	1.1
166.99997	0.9
167.03506	5.8
168.00610	4.4
169.01443	22.4
170.01750	1.3
173.15366	0.7
177.33372	0.9
179.03497	1.0
179.05699	0.9
181.94231	0.8
183.03018	2.1
195.10324	2.2
205.03502	1.0
211.02469	1.5
265.09088	0.9
271.04614	1.9
301.78491	0.9
311.09259	1.2
313.05826	1.8
339.08734	2.1
354.11334	1.0
357.15579	4.5
360.21109	0.9
369.13425	1.5
402.11826	0.8
417.14105	100.0
418.14630	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
67.76327	0.5
69.61784	2.6
71.01393	2.6
73.02934	1.1
85.02961	1.3
89.02462	1.5
90.84093	0.4
95.01404	1.4
99.00914	0.6
108.02184	53.3
109.02979	22.0
110.03321	1.1
113.02522	0.6
119.01006	0.4
121.02965	0.9
123.00898	1.2
123.04566	0.5
133.02950	0.7
135.04581	0.5
141.70302	0.4
151.04019	2.9
152.01161	100.0
153.01520	5.4
163.04001	2.3
178.04980	0.5
232.02977	0.5
241.07176	4.1
246.85252	0.5
271.04474	0.6
285.06168	1.0
296.36475	0.5
332.34723	0.5
417.10385	90.2
418.10715	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
62.09574	0.6
66.63065	0.5
68.77563	0.6
69.66893	1.4
69.67287	2.1
71.01377	3.0
73.02944	1.2
83.01392	0.6
85.02966	2.6
89.02445	1.0
95.01387	1.5
103.04006	2.3
108.02180	57.7
109.02981	23.1
110.03291	0.7
123.00890	1.7
124.45746	0.6
125.02443	2.4
133.02901	0.6
151.04024	1.6
151.40184	0.6
152.01164	100.0
153.01535	5.2
162.82852	0.7
163.03983	1.9
168.00644	1.1
169.01428	2.4
190.52199	0.5
211.02533	2.9
241.07155	2.9
265.09277	5.5
271.04639	5.5
285.06226	1.4
295.01791	0.6
331.07147	0.6
417.10391	99.2
418.10742	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	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
66.46712	0.8
73.02943	0.8
84.53869	0.7
85.02965	1.1
88.80285	0.7
89.02457	1.0
93.03465	1.1
101.02455	0.7
107.01398	1.7
112.90527	0.7
125.02451	1.3
125.17783	0.7
135.00891	1.6
137.02495	0.9
137.70424	0.7
151.00388	2.9
152.01186	0.9
153.09332	1.4
161.04597	0.8
163.00385	1.4
169.01424	0.8
169.06573	0.7
181.05209	1.1
183.04517	3.0
185.02519	0.9
185.06009	1.5
187.04016	2.1
199.04190	0.8
211.03972	2.8
227.03511	77.4
228.03877	8.2
228.40703	0.7
229.05052	4.8
239.03488	1.5
255.02998	100.0
256.03506	16.6
257.04535	3.9
284.03284	89.1
285.04034	83.4
286.04379	9.6
327.05353	0.8
417.08292	77.4
418.08633	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	417.0832
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.13438	0.6
53.75373	0.6
58.70560	0.5
59.01388	10.5
59.48483	0.5
71.01401	5.5
72.99305	1.1
73.02960	1.1
76.53546	0.5
82.45016	0.6
83.01398	0.8
85.02970	1.8
89.02461	4.2
93.83764	0.6
96.96022	1.1
99.00862	0.9
101.02449	3.4
103.30161	0.6
108.02213	0.7
109.02972	1.8
111.00948	0.6
113.02477	1.9
119.03544	1.2
119.05054	2.3
123.00939	1.1
124.01749	0.6
125.02477	1.5
139.00424	0.8
145.03009	0.7
145.06636	1.0
149.02423	0.5
152.01157	1.3
153.01938	1.9
157.06598	0.7
159.04518	1.1
161.02608	0.7
161.04570	2.2
161.06120	2.3
164.01204	0.6
165.02020	0.8
169.01524	0.6
173.02582	0.6
173.06094	2.2
174.03281	1.0
176.01204	1.0
177.01991	2.1
183.04533	1.4
185.06119	1.5
187.04010	0.8
189.01949	0.7
189.05518	1.0
190.02724	1.4
193.01453	2.6
198.03143	0.8
199.04042	1.4
200.04689	0.8
201.05544	3.4
202.02737	1.2
203.03525	0.8
204.00655	0.7
205.01364	0.9
211.04030	3.6
212.04671	0.6
214.02768	1.9
215.03560	1.7
216.04291	1.6
217.01375	1.1
217.04996	2.9
218.02081	1.4
221.00894	4.3
226.02730	1.1
227.03484	6.5
228.04323	1.3
229.01387	0.8
229.05051	8.3
230.02144	1.3
239.03514	2.1
240.04289	1.4
242.02231	3.5
243.02968	3.3
244.00163	1.0
244.03801	1.1
245.00961	1.6
245.04564	6.6
246.01672	2.1
246.04929	0.7
254.02168	1.2
255.03011	13.0
256.03763	3.4
257.00900	0.7
257.02225	0.7
257.04547	4.5
258.01804	2.9
259.02505	2.7
265.08527	0.7
271.02435	1.6
272.03217	1.6
273.00549	2.5
273.04074	6.0
274.01236	13.7
274.04227	0.8
275.01639	1.6
279.03134	0.8
281.04630	1.1
281.08377	1.1
282.01740	0.8
283.02554	10.8
284.03235	7.2
285.00583	0.8
285.03571	1.3
286.01135	0.9
287.01941	2.3
288.02747	0.8
299.01950	3.0
300.02774	5.7
301.03558	100.0
302.03931	12.6
308.03210	1.0
309.04236	0.9
309.07635	1.5
311.09268	0.8
312.02756	2.2
325.03632	2.4
327.08740	1.2
337.07196	2.4
338.07767	1.1
345.06168	1.3
355.08261	33.9
356.08591	4.9
373.09308	78.0
374.09637	10.8
399.07104	1.0
417.08261	81.3
417.20300	1.6
417.24899	1.8
418.08563	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	415.2857
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
60.51888	0.2
65.00339	0.5
69.70961	0.3
71.05033	0.3
71.41109	0.4
77.03981	0.3
79.01890	1.4
95.01392	0.3
95.05016	0.7
97.02934	0.7
97.06560	0.2
105.03475	0.6
107.05044	0.5
109.02958	1.7
110.00105	0.5
111.00915	0.3
111.04535	0.7
121.02956	0.7
123.00915	0.4
127.04066	0.3
135.04515	1.1
137.02464	2.8
138.03236	12.6
139.04071	1.6
149.06126	0.6
151.04027	1.0
153.05579	9.0
154.05931	0.5
163.00417	0.5
163.07721	0.4
164.01120	0.8
165.01936	7.6
165.05559	0.5
166.02721	17.2
167.03061	0.5
170.02290	1.3
178.02650	0.3
179.03506	3.7
180.04282	4.5
188.64508	0.2
193.05066	9.1
194.05557	0.8
198.01671	0.6
205.12405	0.5
207.06633	2.0
210.99005	0.3
212.03339	0.7
216.43774	0.3
221.08229	0.8
235.09731	1.4
236.10196	0.4
245.15451	0.2
249.11345	2.7
250.12000	0.8
263.12848	0.4
289.14417	0.4
295.64432	0.4
299.20190	0.4
303.16019	1.0
313.21643	0.3
315.16312	0.6
329.17688	1.0
339.26929	0.8
343.19101	5.5
344.19766	0.5
357.20651	1.4
366.06827	0.3
371.22083	0.4
371.29810	0.4
383.26013	0.3
397.27463	0.3
399.25516	1.4
400.26111	1.2
415.28568	100.0
416.28909	19.0
416.34668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91093	0.4
59.01374	1.2
69.71452	0.7
69.71754	2.5
77.04734	0.4
87.96661	0.4
92.20936	0.4
93.03462	0.6
101.56255	0.4
107.01389	0.8
109.02926	0.5
117.03474	1.1
125.02450	0.8
128.21001	0.5
132.02107	0.5
135.00920	0.7
137.02527	0.4
145.02940	2.6
151.00369	1.9
153.01938	0.5
157.06593	0.5
163.00325	0.9
174.03264	0.5
176.01210	0.7
183.04515	1.6
185.06079	0.8
187.03944	0.5
211.03964	2.7
212.04453	0.6
227.03497	75.3
228.03848	6.4
229.04938	2.0
239.03589	0.9
241.05084	0.5
243.02968	0.5
255.02985	96.4
256.03519	15.0
257.04361	1.8
283.02356	0.5
284.03262	90.5
285.03912	25.2
286.04437	1.6
307.07803	0.4
327.05121	0.9
386.84500	0.5
417.08261	100.0
418.08618	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	415.2491
Annotation	Petrosaspongiolide R
Peak:m/z	Relative Intensity
55.01882	1.0
57.03448	3.0
59.01384	7.3
69.03477	0.6
69.43550	4.6
69.43961	1.0
79.05537	1.0
83.01398	1.3
85.02956	3.2
85.06609	4.9
87.04507	0.6
95.01384	1.3
95.05045	4.3
97.06605	6.5
107.05025	0.9
108.02169	3.2
109.06612	1.2
111.04517	1.2
111.08154	2.0
113.02457	1.5
113.06101	12.5
116.84266	0.7
121.06663	0.6
122.03768	2.2
123.04542	2.6
124.05303	1.5
125.02479	1.0
125.06079	2.7
127.28648	0.7
135.08206	0.6
137.06125	1.5
139.04024	1.5
139.07657	2.1
140.08104	0.8
141.05600	31.4
142.05951	1.2
151.04039	1.1
153.01869	0.9
165.05609	3.2
166.06364	4.5
167.03505	1.5
179.07127	1.8
181.05115	6.6
183.06628	1.2
191.03502	1.8
192.07832	1.8
207.10345	0.8
208.94342	0.6
213.98715	0.7
224.79568	0.7
231.17508	0.9
243.39383	0.7
245.77518	0.9
249.18643	2.1
273.18689	3.7
276.85422	0.7
327.22971	0.7
329.24905	0.7
341.21298	1.2
345.20700	2.7
353.25015	0.8
355.22818	6.0
356.23422	3.1
357.20746	4.1
357.24380	0.8
369.24429	4.2
370.24823	0.8
371.22241	0.6
371.26007	8.9
372.26215	1.7
373.23859	8.3
374.24384	1.6
374.33426	0.7
397.24072	1.0
415.24951	100.0
416.25269	19.1
434.43317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2857
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
54.37344	0.2
55.01872	1.1
57.03454	0.6
63.68004	0.2
69.48620	1.4
71.05030	0.4
73.02944	1.2
79.01901	3.8
80.02701	0.2
81.03468	0.5
82.20354	0.2
83.05061	0.2
85.06596	6.3
91.05540	0.5
93.03484	0.5
95.05044	0.3
97.02967	2.1
98.20627	0.3
107.05052	1.3
109.06602	10.2
110.06918	0.3
111.04528	5.9
111.08189	0.3
112.04890	0.2
123.04543	0.5
135.04535	3.4
136.05267	0.6
138.03217	0.3
143.51282	0.2
149.06107	0.8
150.06848	0.4
151.04016	1.0
152.01112	0.2
152.04781	0.5
153.05586	26.0
154.05946	1.4
162.03230	0.2
162.06900	0.7
163.69827	0.2
165.05580	0.2
176.04814	0.3
179.03506	2.7
180.04259	1.2
189.05569	0.3
193.05011	0.2
194.05809	0.4
261.22235	0.3
273.18488	0.3
279.23279	0.3
303.23251	1.5
315.26953	1.0
316.27243	0.3
356.27380	0.3
369.28192	1.0
371.29556	21.1
372.29898	3.5
397.20309	1.5
397.27478	1.0
398.20438	0.3
398.27924	0.3
413.26767	0.3
415.28549	100.0
416.28903	18.6
430.12561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.249
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
55.01912	0.7
55.63668	0.8
57.03453	6.9
59.01382	4.3
68.99833	1.4
69.03467	4.8
71.05013	1.2
79.01914	0.8
81.03458	6.3
83.01409	4.3
83.05009	1.1
85.02962	14.5
85.06584	1.7
93.03463	1.0
95.01388	6.9
95.05041	4.8
97.02964	6.1
97.06565	1.2
107.01432	0.9
108.02180	1.8
109.02946	2.2
111.00865	1.9
111.04562	1.9
113.02450	15.6
113.06071	2.3
122.03726	1.6
123.00880	3.5
123.04552	1.7
123.08133	1.1
124.01685	4.2
124.05360	1.2
125.02456	25.6
132.16861	0.7
137.02446	4.2
137.06084	1.6
138.03210	3.0
139.04004	4.2
141.01967	6.9
141.05592	5.4
151.00368	2.7
151.03975	1.2
152.01216	3.7
152.04715	0.8
153.01942	5.4
165.01955	1.9
165.05585	1.1
166.02701	5.5
166.06377	1.4
167.07130	0.9
179.03462	5.5
180.04221	2.6
181.05112	1.6
191.10818	1.2
193.05061	3.0
198.01591	0.9
219.13715	1.0
231.17459	0.8
235.09756	2.0
236.10358	1.3
236.60074	0.8
249.11295	1.3
261.15057	1.0
273.18726	1.9
277.21747	0.8
289.18152	0.9
290.15094	1.7
301.21634	4.2
317.17621	1.5
329.24802	1.9
345.20859	1.2
353.24927	1.1
355.18826	1.0
355.22815	10.1
356.23541	4.5
357.20499	1.3
369.24326	1.8
371.26016	4.2
373.19876	13.1
373.24258	5.4
374.20425	2.0
397.23877	2.8
415.25284	100.0
416.20593	1.5
416.25635	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2491
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
51.29240	0.6
51.68603	0.5
55.01884	0.7
57.03191	0.6
57.03437	2.8
58.56118	0.6
59.01385	3.4
64.37697	0.7
64.58668	0.6
68.99821	0.7
69.03452	0.8
69.76726	3.5
71.05029	2.6
79.01924	1.5
83.01401	0.8
83.05047	0.8
85.02946	2.8
85.06602	3.2
90.08974	0.7
90.11208	0.5
90.78397	0.6
90.96978	0.7
95.01408	1.2
95.05041	4.1
97.02975	2.5
97.06619	1.3
108.02187	0.9
109.02983	0.8
109.06608	1.6
111.08160	0.9
112.82436	0.5
113.02457	3.6
113.06106	2.4
116.99338	0.7
121.02971	0.8
122.03759	0.9
123.00890	1.0
123.04483	0.6
125.06150	0.9
137.02441	1.5
137.06047	0.8
138.03238	2.2
139.04025	12.3
140.04460	0.7
141.01941	0.9
141.05589	6.8
153.01932	0.9
153.05588	7.1
165.01961	2.6
166.02707	4.8
166.06392	1.7
167.03391	0.9
179.03500	1.4
180.04303	4.2
181.05096	2.3
191.10895	0.5
192.06174	0.6
193.05060	5.0
194.05763	0.7
198.01813	0.7
207.06578	1.4
212.03401	0.7
235.09862	0.9
249.11378	0.7
249.18683	0.7
259.17255	0.9
263.12994	0.9
273.18661	1.6
291.12570	0.9
301.21854	1.1
303.16113	1.9
305.14001	2.2
345.20749	1.4
355.22794	4.1
356.19189	0.6
356.23480	2.1
357.20798	1.7
369.24423	1.0
371.25922	3.6
373.20163	2.1
373.24103	2.6
397.23956	1.1
415.25043	100.0
416.25360	20.0
416.30649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2128
Annotation	Atranone A
Peak:m/z	Relative Intensity
53.30998	1.4
57.03453	8.0
59.01377	2.6
67.61042	1.4
68.99814	4.7
69.79182	7.8
71.01318	1.4
78.24827	1.8
79.01901	2.8
81.03451	9.4
83.01394	5.8
85.02962	1.6
85.06602	4.8
98.19920	3.2
107.05058	2.0
109.06619	3.7
111.04507	3.4
123.04538	5.5
125.02457	68.1
125.06123	2.7
125.45323	1.6
126.02791	1.7
135.04506	4.6
137.02451	2.2
137.06075	1.8
137.09769	1.8
139.04063	1.7
141.01945	2.5
149.02460	1.9
151.00374	2.2
151.03996	9.1
152.01123	2.0
152.04782	4.2
153.05583	19.1
161.09740	1.7
165.05594	2.5
167.03416	2.3
175.57236	1.5
177.05531	1.9
177.09114	1.6
178.02670	2.3
179.03517	13.1
179.07068	1.5
179.10760	3.8
180.04297	20.3
181.04579	3.1
189.09157	4.7
190.09964	2.9
193.05122	3.5
194.05804	8.7
195.06329	1.8
203.10687	1.9
205.05074	7.0
207.06613	14.6
207.10271	2.7
208.07182	2.2
217.08749	3.8
231.10283	4.4
234.08876	3.8
235.09673	8.6
236.10555	2.3
245.11702	2.2
245.15468	6.6
246.15988	1.8
247.17029	3.0
260.10593	2.1
261.11240	2.7
261.15033	3.1
263.12906	1.7
273.14828	2.3
283.09247	1.6
288.13791	2.7
289.14468	63.2
290.15060	10.9
291.15997	7.4
301.14453	1.7
315.15967	2.6
316.16876	1.7
327.19666	1.9
343.15417	5.1
344.16174	3.4
355.19153	4.2
369.20773	7.0
370.21429	15.6
371.22281	7.0
373.20087	5.3
377.77225	1.5
383.18347	1.7
389.41443	1.6
397.20099	6.7
398.20966	38.8
399.21445	4.4
415.21237	100.0
416.21667	15.9
430.19901	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	415.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
55.04479	3.2
57.03447	8.2
59.01366	4.0
59.83960	2.9
69.72617	16.4
71.05013	12.9
73.10097	3.1
74.44837	3.5
79.01896	11.2
81.03472	5.1
84.48927	2.7
85.02960	100.0
87.00926	3.8
95.01381	3.9
95.05039	20.9
97.02979	5.2
97.06628	3.4
99.04530	12.1
111.00890	4.4
123.04533	49.1
124.01649	9.3
124.04842	3.5
125.02470	23.2
135.04492	3.7
137.02513	4.7
137.06079	12.9
138.03265	16.1
139.04016	23.7
141.05661	5.9
149.06134	5.2
151.00395	7.4
151.03995	6.4
152.01123	5.9
165.01927	4.2
165.05562	5.5
166.02710	9.7
167.03461	9.4
170.02168	3.8
177.05522	4.7
179.03494	16.3
180.34474	3.3
180.36169	3.1
181.05075	43.3
208.07445	3.8
268.94733	3.0
271.16989	9.6
311.20163	4.6
315.19556	12.9
325.21719	4.8
353.21231	60.5
354.21552	7.5
355.19141	93.2
356.19455	13.6
397.20193	12.1
398.20764	4.4
415.24976	23.4
416.25125	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	415.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07820	2.7
57.03441	8.0
59.01372	5.4
70.22205	7.8
71.05028	8.7
79.01900	6.2
81.03462	4.3
83.01393	3.0
83.05003	3.3
85.02956	89.5
86.03263	3.7
87.00885	3.1
93.03455	3.4
95.05023	12.9
95.82902	3.0
97.02988	3.5
98.20636	3.0
99.04539	13.6
123.04536	51.7
124.01672	9.8
125.02428	19.4
137.02477	2.9
138.03261	14.8
139.04012	11.1
141.05559	11.2
151.00365	10.6
151.03996	8.1
152.01118	4.4
165.01942	4.7
165.05620	4.5
166.02713	12.3
167.03491	9.7
170.02214	5.8
179.03456	7.6
179.07074	2.8
180.84955	2.8
191.07254	3.2
193.01949	2.9
223.04031	2.8
261.11130	3.1
262.12112	4.8
271.17059	6.4
300.39185	2.9
311.20145	7.0
315.19595	11.8
316.20313	3.4
325.21857	3.4
353.21222	61.4
354.21829	6.6
355.14859	6.1
355.19147	100.0
356.19409	15.0
371.22238	4.0
397.20078	15.0
398.20947	7.6
415.24902	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	415.2492
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
50.74416	0.4
55.01884	0.7
55.84402	0.4
57.03459	2.7
59.01369	0.6
65.00327	0.5
71.05027	23.0
77.03958	0.4
79.01898	2.1
81.03464	0.6
83.17894	0.4
85.06590	0.8
93.03474	0.7
95.05032	16.8
96.05379	0.8
96.40623	0.4
97.02962	3.5
97.06593	1.0
98.20632	1.1
121.02972	2.4
122.03754	0.8
125.02490	0.6
125.09720	0.5
135.04559	0.8
136.05339	0.6
137.02493	0.6
137.06145	0.4
138.03300	0.5
139.04025	26.5
140.04369	1.1
141.05630	0.4
149.91759	0.5
158.92671	0.3
165.01915	2.7
166.02673	1.6
179.03520	0.4
180.04294	1.4
193.05057	0.9
219.17558	0.8
229.42261	0.5
233.15527	0.4
245.19144	1.2
259.20386	0.5
273.22141	0.6
287.20206	3.6
299.20297	1.2
303.16119	0.5
329.24887	1.1
331.19254	1.0
333.19925	0.5
349.40546	0.4
371.25922	5.2
372.26370	0.6
397.23746	0.6
415.24936	100.0
416.19711	0.9
416.25281	17.6
423.93808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.5
59.01371	0.9
61.69189	0.4
65.00334	1.4
67.01895	0.4
69.03455	1.0
69.48055	2.3
71.05019	0.4
79.05538	0.5
81.03461	7.4
83.01392	1.9
83.05060	0.7
85.06614	0.9
94.31338	0.3
95.01394	11.3
95.05013	0.8
96.02199	0.5
97.03011	0.3
97.06609	0.6
98.20061	1.3
106.90910	0.3
107.01402	0.7
107.05042	0.7
109.06583	0.9
111.00900	0.8
111.04487	0.6
113.02499	0.4
121.06570	1.2
122.03730	0.3
123.00893	6.0
123.04517	1.4
124.01675	12.6
124.05315	8.2
125.02463	42.0
126.02779	1.6
135.04552	0.8
137.02455	0.6
138.03249	0.5
139.00386	0.7
149.06108	0.8
150.99168	0.5
151.00389	9.3
152.01178	16.0
153.01559	1.0
153.05598	4.7
154.08548	0.3
163.07712	0.5
165.01939	0.8
165.12820	0.7
166.02718	14.8
167.03053	0.8
175.04066	0.4
177.09213	0.9
179.03513	18.5
180.04076	2.0
191.10815	1.6
193.05098	3.8
198.01765	0.7
205.15959	1.0
207.06636	1.3
207.13956	0.6
208.07303	0.5
212.03235	0.7
221.08209	3.1
235.09775	8.1
236.10497	1.9
245.15443	0.4
247.17052	2.2
249.11258	0.9
271.17151	1.1
275.12912	0.7
287.19989	0.5
289.14444	0.4
289.17963	0.5
290.15283	3.1
291.16019	1.6
311.20248	0.5
313.18179	0.8
322.14240	1.2
329.21094	0.8
355.19278	0.7
357.17065	0.5
371.22189	0.5
373.20282	0.5
397.20212	1.7
415.21262	100.0
416.21600	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	415.2128
Annotation	Hellebrigenin
Peak:m/z	Relative Intensity
57.03444	2.1
63.25102	0.5
69.62477	2.3
69.62904	1.8
79.01897	0.8
81.03459	0.9
85.06150	0.7
85.06600	7.0
94.19732	0.5
96.91630	0.7
97.02934	1.7
98.20506	1.1
109.06617	5.9
111.04536	4.7
123.04504	1.3
124.05306	19.6
125.02498	0.6
125.05666	1.0
135.04494	1.4
135.08203	1.2
137.02464	1.0
149.06094	0.6
151.04041	1.8
152.04810	3.9
153.05588	59.1
154.05899	3.1
165.01939	3.7
165.05569	0.8
179.03528	8.4
180.04295	20.6
181.04680	1.7
184.03810	0.9
191.10738	0.7
193.05090	4.2
194.05840	6.4
207.06633	13.0
208.07379	3.5
212.03220	2.7
218.09425	0.9
221.08237	4.2
222.08937	0.6
226.04585	0.6
231.60507	0.5
235.09688	4.4
236.10550	4.6
247.17020	0.8
249.11255	1.3
275.12936	0.9
279.80588	0.7
289.14444	0.8
290.15271	8.3
291.15997	3.0
343.59369	0.6
397.20026	0.7
415.21268	100.0
416.21631	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	415.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20968	1.6
57.03454	19.2
59.01397	7.9
64.45211	1.4
65.00326	3.5
69.03452	5.5
69.72009	4.5
69.72440	4.5
81.03463	21.9
82.03815	1.7
83.01383	7.4
83.05038	4.3
85.02965	11.9
85.06609	3.1
89.99148	1.4
93.03449	1.8
95.01386	14.6
95.05030	9.1
96.02168	3.1
97.02972	9.1
97.06574	2.6
107.01384	2.7
107.05046	1.9
108.02200	2.2
109.02961	4.0
111.00907	1.9
113.02456	14.7
113.06100	6.4
121.06644	2.8
122.03747	2.4
123.00867	7.6
123.04524	4.7
123.08150	2.3
124.01670	12.1
124.05330	3.6
125.02461	99.8
125.06133	1.5
126.02811	4.7
136.05316	1.6
137.02443	6.0
137.06071	1.9
138.03214	2.8
139.04021	3.6
141.05571	11.4
148.05257	1.6
149.06126	1.8
151.00365	11.4
151.04080	2.0
152.01163	13.0
153.01923	4.3
153.05586	2.5
156.02812	1.5
163.07651	2.7
165.05556	2.4
166.02725	15.4
166.06439	1.8
167.07190	1.8
175.07654	1.6
177.09187	1.5
179.03510	15.3
180.04274	4.4
181.05139	1.7
191.10764	3.2
192.07928	1.6
193.05077	5.2
221.08194	3.0
231.17595	2.4
235.09769	5.6
247.17049	2.4
273.18658	4.1
287.20239	2.8
290.15234	3.4
301.21750	4.2
305.13751	1.8
317.17773	2.0
322.14426	1.8
329.21075	2.4
355.22879	14.3
356.23355	7.0
369.24197	3.9
371.21896	3.6
371.25964	6.9
373.20035	4.4
373.24069	9.6
374.24197	2.4
415.20862	57.8
415.24927	100.0
416.21262	9.8
416.26123	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	415.1978
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.09467	0.6
55.01883	2.7
57.03447	2.1
57.15852	0.6
59.01383	100.0
60.01729	1.2
69.03474	0.7
71.01384	32.2
71.61168	0.9
72.99323	2.8
73.02953	9.9
83.01394	5.9
85.02958	15.4
86.00144	0.7
87.00874	2.1
89.02455	13.2
95.01409	3.1
96.96040	1.1
97.02979	1.2
97.36272	0.8
99.00888	3.3
101.02452	24.0
103.86594	0.8
109.52258	0.8
109.85317	0.7
111.00864	1.1
113.02455	12.3
115.19847	0.7
117.03457	0.7
119.03502	5.1
123.00926	1.1
125.02452	3.2
131.03558	0.8
143.03525	1.6
145.02991	3.2
149.04593	1.0
151.00403	0.8
159.02986	1.0
161.04572	6.2
163.04105	1.0
169.01434	1.4
178.06577	0.8
179.05690	0.8
193.08701	1.8
202.56006	0.7
269.00946	2.3
280.18796	0.7
299.99112	4.6
327.04892	0.9
329.19824	3.8
355.17590	7.3
371.07660	2.2
373.18704	14.2
374.18921	1.5
415.06827	9.1
415.15439	2.1
415.19724	39.2
416.07251	1.0
416.20129	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	415.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	19.8
59.01376	6.1
60.85892	1.0
65.00327	2.1
67.01871	1.1
68.99798	1.3
69.03473	5.4
69.69262	5.9
77.00654	1.4
81.03460	18.9
82.03856	1.0
83.01384	6.1
83.05094	2.1
85.02959	12.5
85.06592	2.6
93.03478	2.2
95.01412	7.9
95.05025	8.1
95.45271	1.1
96.02191	1.7
97.02946	10.0
97.06593	3.6
98.19876	2.2
99.04516	1.2
106.38522	1.1
108.02187	2.1
109.02948	3.6
109.06642	1.4
111.00931	1.7
111.04517	1.9
113.02467	14.4
113.06098	4.2
121.06662	1.6
122.03755	2.6
123.00904	2.4
123.04547	3.2
124.01685	2.9
125.02454	76.6
126.02795	3.0
135.04462	1.0
137.02472	5.0
137.06133	1.6
138.03230	3.5
139.04001	8.6
141.01958	3.8
141.05571	6.9
151.00359	4.2
151.03992	1.5
152.01143	2.7
153.01889	3.0
153.05624	2.9
165.01878	1.9
166.02724	6.1
166.06424	1.6
179.03508	6.4
180.04250	2.4
181.05070	2.0
191.03490	1.2
191.14377	2.1
193.05078	4.4
221.08258	1.3
231.17567	3.6
233.15431	2.0
235.09868	1.9
259.17056	1.5
271.16891	1.5
273.18411	5.3
287.20184	2.1
301.21747	3.4
304.16742	1.5
313.18100	1.4
327.23410	1.6
329.24707	1.4
337.21640	1.6
355.22763	10.7
356.23471	3.5
369.24268	3.2
371.21970	1.9
371.25934	7.4
373.19745	6.2
373.23856	4.6
374.20306	1.8
374.24640	1.7
397.19867	2.8
415.20810	40.0
415.24942	100.0
416.21133	5.8
416.25995	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03437	0.6
58.00595	0.3
59.01097	0.3
59.01382	5.0
65.00320	0.4
67.01896	0.8
68.99818	0.6
69.03452	0.7
71.01389	5.6
71.61754	0.2
72.99313	1.1
73.02948	1.9
75.00862	0.2
79.01899	1.2
79.95737	0.3
81.03463	0.4
83.01389	1.9
85.02959	2.9
86.00098	0.4
87.00886	0.8
89.02438	1.2
91.92041	0.2
95.01385	2.3
96.96022	0.9
97.02959	0.8
98.95631	0.2
99.00892	0.7
101.02450	5.1
104.87248	0.2
107.01405	3.5
109.02981	0.2
110.00094	0.6
111.00892	3.1
113.02460	1.9
114.02715	0.2
119.03525	0.5
121.03056	0.2
123.00896	16.8
124.01715	2.0
125.02454	16.0
126.02786	0.6
127.00397	1.4
135.11806	0.2
136.98819	2.1
137.02446	0.3
139.00385	6.2
140.01184	4.8
141.01971	2.1
145.02927	0.2
149.99582	0.5
151.00381	13.8
151.03979	0.3
152.00734	0.5
153.01953	0.7
154.01460	1.4
154.99854	0.3
161.04582	0.4
161.09720	0.4
163.04059	0.4
167.03473	0.2
168.00656	6.1
169.01437	19.3
170.01790	1.2
179.03474	0.2
179.10770	1.2
180.03694	0.2
181.05078	0.5
190.21565	0.2
202.99829	1.0
203.10822	0.6
209.04579	0.2
211.02509	1.0
221.11954	0.2
223.09744	0.7
245.00998	0.3
246.98878	1.5
253.03589	0.5
271.04590	0.3
274.85538	0.2
281.08456	0.2
289.14572	0.2
313.05643	1.1
325.12915	0.4
333.13531	0.3
335.14133	0.2
371.07822	0.6
411.46899	0.2
415.06903	3.0
415.16138	100.0
416.07343	0.4
416.16486	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54184	0.7
59.01384	100.0
60.01714	1.7
71.01358	0.8
88.65439	0.8
95.01402	0.7
101.02461	1.0
155.93718	0.8
161.04573	0.9
163.04012	3.7
163.85110	0.7
170.35138	0.8
178.06348	4.6
182.09686	0.9
193.08696	6.6
259.23697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01973	0.4
54.77557	0.4
55.01868	0.8
57.03455	0.8
58.00588	0.4
59.01389	4.3
65.00331	0.5
67.01888	1.3
69.03445	0.8
70.12712	1.4
70.13117	0.6
71.01387	5.2
71.05027	1.0
71.75742	0.4
72.99310	0.7
73.02927	1.8
74.25387	0.4
75.00866	0.8
79.01891	1.5
79.95732	0.6
83.01376	1.6
83.05013	0.9
85.02963	3.7
87.00889	0.7
89.02441	1.5
95.01402	2.6
97.02961	0.8
98.19907	0.4
99.00919	0.7
99.98839	0.4
101.02455	3.0
101.06085	1.5
103.04015	1.5
107.01404	4.7
111.00879	3.1
113.02444	1.3
118.43377	0.3
122.03699	0.6
123.00897	18.2
123.04554	0.7
124.01656	1.3
125.02455	20.2
126.02773	0.7
127.00352	0.6
136.98837	2.4
137.02431	0.8
138.03191	0.5
139.00385	7.0
140.01187	4.2
141.01939	1.7
150.03162	0.4
150.99161	0.7
151.00378	12.6
152.00742	0.4
153.01978	0.4
165.05562	0.7
168.00661	4.2
169.01430	26.3
170.01772	1.2
177.04041	2.0
181.32394	0.4
192.04457	0.3
211.02496	3.1
229.99382	0.4
271.04636	3.3
313.05591	1.2
329.05051	0.4
415.12460	100.0
416.07245	0.5
416.12775	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	415.1612
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
50.69521	0.7
55.01881	1.2
57.03443	1.6
58.00609	3.7
59.01382	75.8
59.08095	0.7
69.03458	1.2
69.44857	1.5
69.45280	3.7
70.03459	0.6
71.01386	56.8
71.05028	2.6
72.01701	0.6
72.99323	3.1
73.02950	17.8
74.02862	0.5
75.00851	0.7
83.01398	2.7
85.02958	9.5
85.06588	3.1
87.00887	2.6
89.02450	100.0
90.02798	1.5
92.28243	0.6
93.03442	1.3
95.01392	3.0
96.96026	1.8
97.02934	4.0
99.00883	32.2
99.04531	0.8
100.01236	0.6
101.02445	36.2
102.02789	1.0
103.04037	0.9
103.85573	0.6
107.01398	0.7
109.02967	2.4
109.06602	0.8
111.04520	2.1
113.02454	12.3
114.02793	1.2
117.05587	15.4
119.03495	9.5
120.99621	0.7
121.03005	0.6
123.00912	1.3
123.04543	1.8
125.02451	6.6
131.03505	16.8
135.04539	1.4
137.02440	2.0
143.03481	1.7
145.02956	0.9
149.04559	56.9
150.04898	2.1
151.00328	0.8
153.01964	3.2
153.05577	33.3
154.05927	2.3
161.04556	3.5
163.04126	0.8
167.03558	0.9
169.01443	2.0
171.02306	0.6
176.87666	0.6
177.05685	0.7
179.05614	1.9
191.05627	13.7
191.07301	1.0
192.05978	0.7
193.08861	0.6
194.09467	4.4
195.06715	1.2
209.08182	1.1
209.11844	5.9
221.06639	1.7
227.22348	0.6
251.07759	3.5
253.07240	1.7
255.05006	0.8
283.11877	1.1
293.63052	0.6
297.06207	1.5
297.12650	1.5
315.10794	0.9
339.05252	0.7
340.13058	1.3
371.17084	5.7
384.11932	1.7
385.09302	2.5
397.14972	4.3
400.11685	2.1
415.06384	1.8
415.11896	5.6
415.16968	16.3
416.14941	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
67.01913	0.5
69.03461	1.9
69.24950	0.4
69.31232	4.8
71.01401	1.9
72.99327	0.4
75.00890	1.3
81.03477	0.8
82.85432	0.5
83.01402	0.8
85.02966	1.5
89.02470	1.9
91.95069	0.5
93.39936	0.4
95.01407	0.5
97.02968	1.5
97.32567	0.4
97.51615	0.5
101.02447	0.7
101.06098	3.0
107.01421	0.7
113.02453	1.1
119.05003	0.6
123.00898	1.9
123.04517	1.6
124.01696	4.7
125.02456	80.4
126.02786	2.4
135.04485	0.6
137.02521	0.7
139.00392	1.2
151.03995	0.6
153.05492	1.0
166.99823	0.6
167.03453	0.5
168.00645	10.7
169.01434	100.0
170.01779	5.1
177.48328	0.4
189.11049	0.5
211.02451	1.1
253.07133	0.7
258.01633	0.6
271.02444	0.6
301.07080	2.0
313.05576	1.9
314.00699	0.6
317.95612	0.5
321.63452	0.5
343.08289	0.8
371.07776	3.3
415.06741	6.1
415.12372	52.8
416.07416	0.7
416.12720	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70390	0.6
54.17676	0.5
55.01876	0.8
56.34018	0.6
57.03450	1.3
59.01141	0.7
59.01387	7.2
65.00324	0.7
67.01915	0.5
68.30146	0.5
68.79664	0.5
69.03452	0.6
69.40891	1.3
69.41293	2.7
71.01389	7.3
73.02950	1.7
79.01884	1.7
79.67862	0.5
83.01402	1.6
85.02959	2.8
87.00868	0.7
89.02451	2.6
89.36674	0.5
95.01387	2.7
97.02967	1.0
99.00868	0.7
101.02456	4.5
107.01406	4.6
108.02149	0.8
109.02962	1.1
111.00867	2.3
113.02454	2.1
117.05589	0.6
121.02904	0.6
121.20056	0.6
123.00897	17.1
124.01686	1.0
125.02452	17.2
126.02815	0.8
127.00368	1.0
136.98796	1.4
137.02441	2.0
139.00395	6.5
140.01180	3.7
141.01918	2.0
151.00378	13.0
153.01967	1.6
154.99783	0.7
168.00621	3.8
168.99960	1.2
169.01434	23.7
170.01768	0.9
179.03477	0.7
211.02550	1.0
271.04608	1.0
313.05673	2.5
318.36694	0.7
341.95004	0.6
371.07321	0.7
408.50107	0.7
415.12445	100.0
416.12863	12.0
430.92874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32227	0.4
55.01871	1.1
55.30737	0.4
57.03447	0.6
58.00586	0.4
59.01093	0.5
59.01383	5.6
59.51435	0.4
60.08705	0.4
62.55371	0.3
67.01881	0.8
69.03450	0.8
69.89135	0.4
71.01389	5.6
72.49793	0.3
72.99313	0.8
73.02951	1.8
79.01889	1.2
83.01376	1.3
85.02956	3.0
86.00166	0.4
87.00882	0.6
89.02439	1.7
92.62540	0.3
95.01403	2.5
97.02932	1.0
101.02457	4.5
107.01392	4.7
109.02972	0.6
111.00870	2.9
113.02438	1.7
123.00894	16.4
123.04530	0.5
124.01688	1.5
125.02457	17.6
126.02772	0.5
127.00429	0.8
136.98814	1.6
137.02414	0.4
139.00380	5.1
140.01163	4.1
141.01959	2.2
151.00375	13.0
152.00905	0.6
153.01920	1.1
168.00644	4.3
169.01437	23.3
170.01793	1.2
211.02414	1.8
239.51361	0.3
271.04672	2.2
313.05719	1.8
415.12469	100.0
416.12823	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20162	0.4
55.01892	0.5
56.50856	0.4
57.03445	0.4
59.01377	3.5
66.91892	0.4
67.01888	1.4
67.46790	0.4
68.99833	0.5
69.03458	0.8
70.92495	1.3
71.01385	4.0
71.05011	1.2
72.99316	1.4
73.02953	1.4
75.00881	0.6
79.01880	1.1
81.03496	0.5
83.01382	1.3
83.05002	0.9
83.32968	0.4
85.02956	2.4
87.00877	0.5
89.02425	0.6
92.02571	0.4
95.01381	1.5
97.02929	0.7
98.19913	0.5
99.00843	0.8
101.02451	2.7
101.06087	0.7
107.01384	4.0
110.00150	0.7
111.00893	2.7
111.44608	0.4
113.02482	2.1
123.00887	17.1
124.01686	1.8
125.02448	18.2
126.02802	0.7
127.00365	1.0
136.98802	1.7
139.00374	5.0
139.56651	0.5
140.01131	3.9
141.01913	1.8
141.22958	0.5
151.00371	12.0
152.00679	0.6
154.99785	0.7
168.00652	4.8
169.01427	25.0
170.01772	1.0
177.04018	2.1
193.69884	0.4
210.49313	0.5
211.02460	2.1
253.03485	0.8
261.26746	0.5
271.04584	1.3
271.90274	0.5
313.05704	1.0
329.05280	0.6
415.12436	100.0
416.07581	0.9
416.12793	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.7
67.01908	0.5
69.03500	0.8
69.55700	4.1
71.01382	7.5
71.01707	0.7
71.66625	0.5
73.02958	0.9
79.01915	0.9
81.03482	0.6
83.01401	1.3
83.46105	0.5
85.02972	1.5
89.02444	0.9
95.01391	0.6
97.03003	0.8
98.19935	1.2
101.02471	1.6
101.06111	2.3
107.01382	9.0
111.00888	1.3
113.02450	1.5
123.00880	7.1
124.01702	1.2
125.02448	69.1
126.02790	2.2
127.00375	0.8
136.98831	0.5
137.02568	0.6
139.00377	3.4
140.01163	2.0
141.01945	1.1
144.68623	0.6
149.02431	0.5
151.00372	8.0
153.01950	0.8
165.01982	0.8
167.03470	0.8
168.00624	3.1
169.01427	100.0
170.01775	4.7
172.79457	0.6
211.02472	5.8
227.03473	1.2
241.03528	5.1
245.00935	0.9
255.06509	0.6
257.04807	0.5
271.04651	6.5
284.06851	0.6
285.00235	1.0
299.02045	0.8
301.03525	0.6
313.05646	49.9
314.06100	4.7
327.08426	0.6
355.10403	1.3
371.07724	3.9
388.37265	0.5
415.06625	10.9
415.12299	68.7
416.06976	1.2
416.12659	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.37063	0.6
57.03458	9.8
59.01389	4.4
66.06273	0.5
71.01384	2.8
71.61626	0.9
75.00878	0.7
79.95737	0.6
81.03464	3.7
83.01403	1.8
83.05037	3.6
85.02975	1.6
85.06583	3.9
89.02467	1.0
93.03485	0.7
96.96034	0.9
97.02959	2.3
101.02486	1.7
105.26926	0.6
111.00883	0.7
111.04551	3.8
117.05590	1.4
121.02887	1.0
123.04536	5.2
123.08178	1.6
125.02457	100.0
125.06081	14.2
126.02798	3.5
126.06400	0.7
137.02412	1.0
138.03221	1.2
139.04004	2.4
149.02443	5.9
153.05585	78.6
154.05980	4.5
159.04453	0.6
161.04506	1.0
167.03453	1.0
169.01382	0.9
174.98116	0.6
177.05576	4.0
187.85730	0.7
191.03484	1.1
253.07178	59.1
254.07532	3.9
259.49258	0.6
263.01865	1.6
277.07129	1.6
290.37094	0.6
315.10904	1.1
415.07062	1.3
415.11679	5.0
416.06891	1.2
416.12833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47873	1.2
57.03455	2.1
59.01384	16.9
61.98833	15.5
69.03458	1.3
69.61122	8.1
71.01390	18.6
72.47338	1.2
72.99306	1.7
73.02957	1.8
81.03461	1.8
83.01393	2.6
85.02968	17.1
87.00898	2.1
89.02447	9.9
92.44798	1.3
92.45388	1.3
93.03458	1.7
95.01380	2.2
95.05064	1.5
96.96031	5.3
101.02457	7.6
101.06101	4.0
107.01415	12.2
109.02929	2.1
111.00864	2.7
111.02083	1.5
113.02473	5.9
117.05595	1.4
119.03490	2.2
120.99694	2.4
121.06574	1.8
122.99316	1.2
123.00895	10.3
125.02457	73.5
126.02789	2.8
135.04552	4.8
136.98808	1.3
137.02470	4.7
139.00377	3.0
139.04053	7.3
140.01184	2.9
145.23029	1.3
151.00391	8.2
153.01930	14.5
154.81342	1.3
161.04532	3.0
166.45480	1.2
167.06151	11.3
168.00702	3.3
169.01436	100.0
169.05057	5.4
170.01807	4.5
175.04439	1.2
177.02042	1.2
179.10832	1.5
191.02002	3.8
197.07196	1.7
211.02420	6.9
222.06795	2.7
223.13495	1.7
227.03534	4.0
229.01747	1.4
233.06596	1.3
236.08324	5.7
241.03502	3.1
243.02931	1.7
245.00835	1.6
254.09311	3.4
255.03001	2.4
255.06725	1.5
264.07782	6.8
266.09384	7.0
267.12366	1.4
271.02151	1.4
271.04688	8.3
282.08804	2.1
284.07147	1.7
284.10446	5.7
285.00482	2.7
294.08969	8.6
299.01920	1.8
299.05865	1.2
299.08972	2.2
300.06119	1.3
301.03827	1.4
301.07178	3.5
312.09949	4.1
313.05688	53.6
314.06186	6.1
315.08841	2.6
326.07788	2.7
327.08600	3.1
343.08255	2.9
353.06570	2.7
356.08884	33.9
371.07724	12.8
372.08035	3.4
415.06723	44.0
415.12534	71.0
416.07178	4.6
416.12885	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	415.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68430	0.5
55.01892	0.6
57.03429	0.6
59.01379	8.3
61.98829	1.2
65.00328	0.5
67.01898	1.2
68.99841	0.5
69.03443	1.2
71.01392	7.1
71.31329	0.9
72.14061	0.5
72.99310	2.2
73.02958	1.1
79.01901	1.5
79.51097	0.4
83.01408	1.0
83.05041	0.6
85.02960	3.8
87.00891	1.2
89.02436	2.8
95.01408	2.8
97.02953	1.0
99.00878	0.7
101.02453	3.6
101.06084	0.7
103.04023	2.9
107.01412	7.2
108.02176	1.9
109.02953	1.3
110.00114	0.6
111.00887	3.6
113.02457	2.2
119.03463	0.8
123.00890	14.0
124.01687	1.6
125.02456	33.0
126.02776	0.9
127.00366	1.2
135.04492	0.5
136.98831	2.8
137.02415	1.4
139.00397	6.9
139.03967	1.1
140.01181	5.3
141.01930	2.1
146.06166	0.7
151.00377	7.3
153.01935	2.8
154.99840	0.8
165.01926	1.5
166.99867	1.8
167.03503	1.4
168.00644	14.8
169.01433	50.7
170.01799	1.8
177.04031	1.0
179.03398	0.6
179.50047	0.5
183.02812	0.6
194.79395	0.5
209.04459	0.7
211.02486	56.7
212.02840	3.6
241.03534	2.0
257.00815	0.7
271.04596	100.0
272.04907	7.5
275.01773	0.8
285.06152	1.5
300.99799	0.6
313.05316	1.2
331.06674	11.4
332.07065	0.8
369.45819	0.5
415.08112	6.1
415.13046	32.4
416.12238	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.9
60.68747	1.5
61.98820	1.8
65.55896	1.1
69.44247	5.5
69.44659	4.3
71.01043	1.5
71.01393	16.5
73.02965	6.5
79.95729	1.2
83.01378	1.9
85.02957	4.7
87.00874	2.4
89.02454	8.4
95.01431	2.0
96.96007	3.2
101.02448	12.0
113.02471	4.9
119.03518	1.6
119.05004	2.1
123.00932	1.9
125.02454	3.3
133.02960	1.5
139.00345	1.7
145.02965	1.7
159.04524	2.6
161.02441	1.8
161.04585	3.0
169.01468	2.7
171.04401	2.4
173.02446	2.4
174.03246	1.9
177.01933	4.1
187.03928	1.5
189.01939	5.2
190.02722	19.6
193.01433	1.7
198.03163	1.9
199.04056	2.7
200.01164	2.0
201.01884	4.8
202.02763	7.6
205.01440	2.0
213.02019	2.2
214.02702	2.0
215.03546	4.6
216.04330	8.1
217.01434	10.2
218.02205	20.4
219.02611	1.7
221.00914	1.4
222.01582	1.6
226.02789	4.6
227.03490	7.9
228.00696	3.4
228.04208	1.8
229.01434	7.5
230.02199	3.7
231.02962	2.7
242.02261	3.5
243.02985	19.4
244.00060	2.0
244.03754	6.9
245.00902	4.8
246.01717	11.8
253.01370	2.6
254.02216	5.3
255.03055	7.2
256.00122	2.5
256.03519	1.6
257.00900	11.0
258.01715	9.6
259.02548	3.6
271.02420	8.2
272.03165	3.5
273.00433	13.1
274.01196	45.4
275.01572	3.9
281.00742	2.6
282.01758	6.3
283.02615	8.9
283.99521	2.0
285.00452	9.5
286.01202	4.1
287.02045	3.9
288.02545	1.5
288.99905	9.2
297.07724	2.6
298.98648	2.5
299.01996	29.7
299.99152	6.5
300.02701	51.4
300.99893	7.0
301.03375	11.0
302.00677	45.9
303.01053	3.3
310.01245	4.7
311.01913	4.3
312.99835	2.9
314.00748	6.4
315.01498	4.3
325.07227	3.2
327.01477	4.0
327.08740	42.9
328.02252	25.7
328.05588	1.3
328.09100	4.4
328.99377	25.2
329.02573	1.6
330.00174	72.0
331.00665	6.9
343.08261	4.2
344.98911	9.9
353.06870	2.1
361.99194	19.5
362.99744	1.8
371.07755	50.7
372.08185	6.2
415.06747	100.0
415.23859	3.2
416.07037	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	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33583	0.6
54.16204	0.6
59.01366	2.3
69.67674	1.2
69.68076	3.0
71.01392	3.8
75.53014	0.5
83.01380	1.1
85.02946	1.8
87.00890	0.8
95.01368	0.9
101.02429	1.4
107.01395	3.5
109.02973	1.0
113.02434	0.9
113.21830	0.7
123.00896	3.0
123.04542	1.6
124.01643	0.6
125.02445	25.5
126.02747	1.1
139.00354	1.5
140.01152	0.8
141.01930	0.6
151.00403	2.8
153.01921	1.4
161.02411	0.9
163.33696	0.5
167.03508	6.2
168.00620	1.0
169.01430	39.3
170.01724	1.7
177.29817	0.6
183.04514	0.8
188.01169	0.7
189.01909	1.6
199.04025	1.2
201.02087	0.6
203.03413	1.2
211.02409	2.2
211.04121	0.8
211.07603	0.9
213.01942	0.7
214.02669	0.6
217.01358	1.5
225.05428	1.0
226.02643	0.8
227.03514	10.6
227.06982	0.8
228.04039	1.5
229.01482	1.2
229.05081	0.9
230.02301	1.4
230.99310	2.5
232.00105	3.1
240.04289	1.3
241.03201	1.1
241.05112	1.8
242.02135	1.0
243.02756	0.9
244.00150	0.9
244.98499	0.7
245.00929	10.4
246.01494	2.5
253.01387	1.9
254.02113	1.3
254.05873	0.8
255.02975	5.2
255.06735	4.8
256.03656	2.6
256.06958	1.4
257.00824	1.2
257.04471	2.6
257.08054	0.8
265.05026	0.8
267.06738	0.7
268.03564	0.9
269.00909	3.0
269.04501	6.4
270.01431	0.8
270.05151	1.7
271.02191	3.4
271.09839	1.0
272.03110	0.7
273.00458	1.2
281.00882	1.7
281.04504	0.9
281.08011	0.7
282.01651	1.0
283.02429	2.2
283.06085	6.5
284.03482	1.0
284.06818	4.3
285.00497	6.7
285.03564	1.2
285.07281	0.7
286.00803	1.2
295.02417	2.6
296.03253	1.0
297.00674	0.8
297.03958	2.6
297.07556	1.7
298.04733	1.5
299.01907	9.4
299.05536	4.3
299.09216	2.0
300.02429	1.0
300.06259	0.9
301.03564	3.6
301.06702	1.0
302.03940	1.1
309.07559	1.2
310.04709	1.3
311.01917	1.1
313.05820	16.4
314.06174	1.0
315.08698	1.2
324.02530	0.9
325.03421	1.7
325.07251	1.5
327.04987	3.8
327.08704	7.5
328.05545	1.5
328.09091	0.7
343.08182	2.7
353.02814	1.4
353.06625	3.8
369.65552	0.6
371.07718	33.3
372.07993	5.0
397.05783	7.1
398.06042	0.7
415.06613	100.0
415.12366	27.4
416.07239	14.5
416.12735	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	414.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34925	1.8
52.55212	1.9
55.01878	2.2
57.03442	5.1
59.01384	9.2
61.98835	95.4
69.03460	4.0
71.01407	2.3
71.05030	3.2
71.59991	3.0
73.02956	3.1
76.20739	1.8
81.03477	8.3
83.05024	5.1
84.02162	3.4
85.02958	3.5
90.79734	1.6
95.04136	1.7
97.02959	2.5
106.04266	1.9
107.05050	2.5
109.06593	3.6
123.08141	2.1
125.02458	16.4
127.04019	3.5
136.19919	1.9
139.04053	6.6
151.00407	2.1
153.05560	4.5
168.03004	3.9
183.10175	1.9
247.16995	6.9
265.17978	2.2
288.38116	1.7
315.19510	1.9
348.78412	2.0
351.18140	79.7
351.22522	4.0
352.18494	10.2
353.17468	4.2
355.19174	2.8
371.22559	3.1
397.20163	3.9
415.21313	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	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01383	35.2
61.98828	1.3
64.67111	0.6
71.01382	8.4
71.05039	1.2
72.99299	1.7
73.02948	1.5
78.92677	0.6
83.01405	1.1
85.02976	1.8
87.00875	0.9
89.02458	10.6
93.03490	0.9
95.01434	0.9
96.96009	3.6
101.02455	5.2
101.06090	0.8
109.02953	6.9
113.02468	2.4
117.03545	0.8
117.05595	3.5
119.03551	2.2
120.99654	1.2
121.02997	2.2
123.00912	1.1
123.04538	1.6
125.02478	1.5
125.06094	0.8
131.03462	0.9
137.02461	3.0
138.05777	0.8
138.06871	1.0
143.03503	0.8
145.02957	2.6
146.03342	1.5
147.03520	0.9
149.04556	2.0
151.07657	1.3
152.08394	0.8
153.01971	10.0
153.05600	1.9
153.09250	6.3
156.28378	0.8
161.02498	2.3
161.04591	0.8
163.04025	1.0
163.11313	3.2
164.03506	1.6
167.03551	0.7
176.01115	0.9
177.02019	2.2
179.05621	1.7
189.01872	1.3
193.01442	1.8
195.03040	3.1
199.04073	0.7
202.02792	0.8
204.00537	0.7
205.01465	1.3
205.12341	2.5
211.04062	1.2
213.05461	0.9
214.02695	1.3
217.12442	1.5
223.13448	5.0
225.05721	0.9
226.02753	0.9
227.03481	11.0
227.07153	1.2
228.04198	1.2
229.01408	1.6
229.05025	0.9
230.02298	0.7
230.99373	2.5
232.00174	2.1
233.00899	6.4
239.03606	1.0
240.04300	1.5
241.05092	1.5
242.02293	0.8
242.05885	1.0
245.00902	9.1
246.01607	1.0
253.01584	1.1
253.05032	1.0
254.02229	1.1
255.02957	3.2
255.06700	2.2
256.03711	1.3
256.07462	0.9
257.00934	0.8
257.04633	2.5
258.01736	1.0
258.05087	0.7
267.03247	1.0
269.01270	3.5
269.04449	4.6
270.01721	1.4
270.05109	1.0
271.02536	3.8
271.05750	1.1
273.00586	1.0
273.04025	1.3
279.10913	3.3
280.04062	0.7
281.00964	2.5
281.04108	0.9
282.01599	1.2
283.02576	3.0
283.06161	4.2
283.99677	0.9
284.03110	1.1
284.06824	4.0
285.00439	5.2
285.03345	0.9
295.02573	1.5
296.03281	1.3
297.00793	1.1
297.04144	1.9
298.01202	1.2
299.02026	7.8
299.05646	3.9
299.09274	2.9
300.02429	1.0
301.03534	7.3
302.04166	1.9
310.04843	1.0
311.01987	2.3
311.05402	1.2
313.03528	1.7
323.99203	1.5
324.02725	1.0
325.00046	1.2
325.03571	4.3
325.07318	1.8
326.03693	1.0
327.05093	2.6
327.08838	5.6
328.05792	1.3
343.08292	2.1
353.03043	5.7
353.06772	3.6
355.17636	4.7
371.07721	25.6
372.07993	4.4
397.05637	14.4
398.05817	0.8
415.06818	100.0
415.12421	9.6
416.07205	17.2
416.12399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2335
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
55.01888	0.7
57.03450	3.6
59.01387	0.8
60.53839	0.5
65.85477	0.6
69.43504	1.7
69.43926	2.4
71.05025	4.0
78.92719	0.5
79.01900	2.0
83.05056	1.2
89.20265	0.5
93.10035	0.6
95.05029	5.3
97.02969	2.0
97.06619	0.9
97.11131	0.5
99.08179	0.7
107.05018	0.6
109.06606	0.8
121.02945	1.2
123.08139	0.9
124.01646	1.8
137.02533	0.7
138.03200	1.9
139.04019	24.4
140.04359	0.9
143.72011	0.5
149.06088	0.7
151.04012	0.6
152.01132	0.7
152.04678	0.6
153.02023	0.6
165.01909	3.6
166.02718	4.8
166.06348	4.4
167.07133	5.2
179.03473	1.3
179.10791	1.2
180.04291	2.3
183.06563	0.9
193.05058	4.5
194.05800	1.0
205.08659	0.9
205.12384	0.6
207.06604	0.5
219.10233	2.3
220.56436	0.5
221.08214	1.3
235.09599	1.2
249.11392	1.5
250.11736	0.6
251.56873	0.5
259.16998	1.8
303.15906	2.7
327.23328	1.0
351.23138	0.8
363.44269	0.6
369.24265	1.8
395.22281	4.1
413.23361	100.0
414.23697	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	413.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06837	0.4
50.87836	0.4
59.84457	0.4
68.99838	0.7
69.55560	2.6
78.38651	0.4
79.01899	1.3
97.02961	0.5
105.03488	0.8
109.01036	0.5
109.02976	2.0
111.04534	0.7
121.03008	1.0
128.52399	0.5
135.04547	1.3
137.02443	2.0
138.03252	12.2
139.03940	1.6
148.00307	0.4
149.06158	0.6
151.04022	2.1
153.05588	9.6
163.00348	0.8
164.01181	1.2
165.01944	7.9
166.02733	17.4
167.03134	1.1
170.02202	1.1
179.03511	10.3
180.04311	5.2
183.47888	0.5
193.05083	9.4
194.05617	0.9
198.01691	0.7
205.12346	0.7
207.06630	3.0
221.08240	0.7
235.09805	2.1
249.11238	2.7
250.12053	1.1
258.17181	0.5
263.13046	1.3
303.16046	2.0
329.17612	2.4
337.25165	0.5
341.17493	0.6
343.19180	1.3
355.19299	0.9
369.20740	1.9
383.22333	1.1
397.23853	1.3
413.27045	100.0
414.27414	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	413.2699
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
52.55619	0.6
55.01868	1.0
56.96116	0.6
69.67892	4.0
69.68248	0.8
73.02956	0.9
79.01910	3.6
84.76540	0.6
85.06610	5.6
97.02961	2.0
107.02920	0.7
107.05061	1.3
109.06611	7.6
111.04539	5.1
135.04523	3.6
136.05388	0.7
139.22887	0.6
151.03929	0.7
153.05591	24.9
154.05896	1.2
162.06912	0.9
163.69633	0.7
179.03516	2.9
180.04272	2.5
182.65627	0.6
194.05838	1.6
207.06746	1.1
253.92239	0.6
263.12979	0.9
369.28030	13.2
370.28351	2.5
413.27005	100.0
414.27341	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	413.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.43986	0.6
57.03441	1.4
58.09943	0.6
68.57052	0.6
69.68086	4.6
69.81659	0.7
79.01908	3.2
81.55708	0.6
85.06600	1.9
87.04526	1.7
95.05019	0.8
99.08151	3.6
102.89599	0.7
103.26889	0.7
107.04990	0.9
111.04531	2.3
123.08176	9.6
124.08512	1.0
133.10443	0.6
135.04532	1.6
149.06076	1.3
151.04019	0.9
152.04817	1.2
153.05568	4.6
154.01486	0.7
163.07729	1.1
167.07167	11.3
179.03526	1.1
189.05533	0.8
193.05064	1.3
204.17102	0.7
207.06535	0.8
369.27969	22.9
370.28348	3.8
385.24075	1.0
411.22205	1.0
413.27087	100.0
414.27487	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	413.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24223	0.3
55.01880	0.7
58.47849	0.3
65.00350	0.4
66.05645	0.3
69.96040	0.3
70.12370	1.2
71.05028	15.3
77.03967	0.4
77.26454	0.3
79.01908	0.7
83.01402	1.3
93.71096	0.3
95.05041	2.1
97.02961	8.4
98.19850	0.3
121.02959	0.6
134.96791	0.3
135.04564	0.4
137.06071	0.7
139.04025	100.0
140.04367	4.2
163.03992	1.4
165.01938	0.7
166.04887	0.3
181.05052	2.2
264.45374	0.3
273.18646	3.5
274.18875	0.3
287.32236	0.3
388.89716	0.3
402.86716	0.3
413.23340	6.7
414.23691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2333
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
55.01891	0.6
57.03448	3.3
59.01384	5.3
66.37865	0.6
67.80209	0.5
68.99822	1.0
69.03453	1.8
70.93098	1.0
70.93456	1.2
71.05027	1.0
79.01893	0.6
81.03500	0.8
83.01402	1.2
83.05024	0.6
85.02949	5.9
85.06606	2.4
95.01411	2.8
95.05037	3.3
96.05515	0.6
97.02951	1.7
97.06592	3.7
107.08674	1.8
108.02194	1.5
109.02975	2.5
111.00893	1.7
111.04517	1.1
111.08156	0.8
113.02463	7.4
113.06097	4.1
121.06612	0.8
121.10252	0.6
122.03735	0.8
123.00861	0.9
123.04536	1.2
125.02472	2.6
125.06083	1.8
137.02470	3.2
137.06055	1.3
138.03261	2.8
139.04013	7.3
139.07683	0.6
141.01997	1.5
141.05591	12.5
151.03992	1.2
153.01961	2.0
153.05496	0.5
163.03903	0.7
165.01955	2.4
165.05588	1.4
166.02707	4.8
166.06386	2.6
167.03529	1.1
179.03638	1.1
179.07137	0.7
180.04372	3.7
181.05049	3.0
191.03575	1.2
192.07907	0.9
193.05087	5.7
194.05600	0.6
198.01547	0.8
207.06676	0.8
235.09853	1.1
249.11398	0.7
271.17065	1.5
277.14322	0.7
291.12448	2.2
299.20242	1.2
305.14017	3.5
306.14490	0.9
327.23294	1.4
328.94348	0.5
343.19354	0.7
351.23325	0.9
353.21347	3.5
354.21906	2.5
355.18991	1.5
366.71466	0.6
367.23071	1.4
369.20508	0.9
369.24564	4.6
371.18552	2.0
371.22556	6.4
395.22318	1.6
413.23453	100.0
414.23804	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	413.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41054	0.7
57.03454	15.9
59.01380	2.7
65.00324	2.9
65.61894	0.7
68.99826	0.7
69.03458	1.2
69.57405	4.8
71.91718	0.7
81.03455	12.3
81.03842	0.8
82.03854	0.8
83.01385	10.0
83.28297	0.9
85.02972	5.1
93.03478	1.0
95.01411	2.3
95.05046	1.9
97.02981	1.5
99.08171	0.8
105.28202	0.8
107.01424	2.7
109.02975	1.5
111.00880	1.1
113.02460	7.9
113.06131	1.1
123.04531	46.9
123.08195	1.5
125.02454	100.0
126.02831	3.0
137.02457	2.7
137.06151	0.9
139.04008	2.8
141.05614	2.1
149.02480	6.3
151.00386	9.7
153.01999	2.4
155.03612	0.9
165.05692	0.7
166.06380	2.6
167.03502	98.5
168.03830	4.5
174.80125	0.9
191.03508	1.1
193.01422	45.6
194.01794	2.0
194.05817	0.8
287.16623	3.2
299.20502	0.9
303.16190	1.4
353.21396	3.0
369.24619	2.6
371.22528	2.7
395.22476	1.1
413.23532	54.9
414.23886	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	413.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	16.7
59.01391	4.4
65.00318	2.4
67.01893	1.0
69.03468	1.8
69.58364	5.8
71.05039	2.2
75.93244	0.9
79.01888	1.6
81.03470	11.1
83.01386	10.8
83.05032	1.1
85.02953	4.7
85.06588	2.8
86.40808	1.1
87.04540	1.0
95.01415	2.9
95.05032	7.3
97.02976	2.3
97.06617	1.5
107.01426	2.4
109.02985	3.1
109.06607	1.4
111.00955	2.4
111.04480	1.1
111.08178	1.4
113.02470	6.5
113.06100	5.0
121.02985	1.7
123.04540	46.9
123.08218	1.0
124.04832	1.7
125.02463	99.4
125.06108	2.3
126.02806	2.8
127.91650	0.9
137.02487	2.4
137.06158	1.6
138.03299	3.3
139.00404	1.7
139.04047	10.9
141.01973	2.8
141.05603	10.2
149.02458	4.0
151.00412	7.4
151.04092	1.3
153.01889	2.1
165.05554	1.5
166.02711	3.7
166.06346	1.6
167.03510	93.2
168.03856	5.8
180.04231	2.6
181.05057	3.0
191.03549	2.3
191.10956	1.0
193.01428	43.7
193.05139	4.0
194.01811	2.7
207.14307	1.2
228.06439	1.3
235.09903	1.5
241.14870	1.1
274.23688	1.3
286.49136	1.1
287.16702	2.5
299.13718	1.1
299.20038	1.0
313.53104	1.0
323.37482	1.0
327.23630	1.3
343.19238	2.4
353.21387	3.1
354.22006	1.5
369.24527	4.5
370.20767	1.2
370.25098	1.8
371.18372	6.4
371.22546	4.2
395.22729	2.1
413.23526	100.0
414.19138	1.4
414.23895	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89087	0.3
53.16003	0.3
55.95983	0.2
57.03469	0.3
58.58379	0.3
59.01394	3.0
59.63815	0.3
64.71796	0.2
66.19448	0.3
69.15382	0.3
70.04796	0.8
70.05212	0.4
71.01388	2.3
71.05025	16.9
72.05354	0.3
73.02955	0.7
74.64351	0.3
75.00878	0.3
85.02962	0.8
88.98817	0.5
89.02454	1.5
96.96030	1.3
96.96955	0.3
98.95581	0.3
99.04527	0.3
101.02441	0.9
103.04014	3.4
113.02477	0.4
117.05588	100.0
118.05933	2.9
119.03506	0.7
125.02457	1.2
133.05066	0.3
146.97247	0.3
151.06122	1.2
169.01459	1.4
177.01900	1.7
178.02744	1.7
179.03471	1.1
191.03560	1.3
192.04260	0.5
193.01501	0.5
207.03030	0.3
210.01692	2.4
221.04454	0.5
221.10367	0.3
233.04462	0.4
244.00075	0.3
249.04135	0.4
250.04851	2.0
251.05603	10.6
252.06010	0.7
295.10410	0.8
301.00143	0.4
313.05576	0.4
313.11401	0.4
398.24637	0.3
413.02325	0.8
413.11041	10.2
414.11050	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72214	0.8
57.03440	0.9
59.01389	10.6
61.98840	1.4
65.70370	0.7
67.01893	0.7
68.99806	1.2
69.03447	1.5
69.60117	4.6
71.01387	18.2
71.05030	8.9
72.99302	1.6
73.02956	1.6
75.00883	1.3
79.73341	0.6
83.01405	1.6
85.02932	3.8
85.06606	1.3
87.00883	1.8
89.02451	4.1
93.03464	4.8
95.01383	1.7
96.96016	14.3
97.02962	0.8
98.20612	1.6
98.23996	0.7
98.95612	1.9
99.04544	3.1
101.02454	4.5
101.06087	9.4
102.06447	0.9
103.04087	1.0
106.95531	0.7
107.01385	1.5
107.05021	0.9
107.09462	0.8
108.02192	1.5
109.02928	3.4
111.00896	1.2
113.02479	3.0
113.06129	1.2
117.05591	75.8
118.05919	2.2
119.03506	2.0
119.47980	0.8
120.99683	7.5
121.02975	2.8
122.03752	100.0
122.99278	4.9
123.00088	1.6
123.00886	9.2
123.04621	9.2
125.02465	9.6
131.07162	6.8
134.13547	0.7
135.04520	2.9
136.01721	1.1
137.02455	14.7
137.06108	0.9
138.05603	0.9
139.00394	3.3
139.86424	0.8
140.01144	2.7
141.01944	1.4
147.04518	2.2
149.06143	0.8
151.00403	6.5
151.04022	3.0
153.01942	1.1
159.06647	4.4
161.04605	0.9
165.05571	9.9
168.00661	1.0
169.01466	10.7
171.06624	0.8
177.05582	2.9
179.03526	2.0
189.07780	2.1
189.12859	2.7
239.05624	1.1
251.09206	2.1
289.11917	5.3
290.12479	1.0
293.12445	8.6
294.12735	1.1
297.03979	0.8
316.16995	0.8
333.10858	5.3
369.06277	2.4
369.15546	7.6
413.01379	1.3
413.10727	19.5
413.14722	20.9
414.10818	2.3
414.15585	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
58.00595	0.7
59.01384	11.0
65.00305	0.4
67.01890	1.5
68.99847	0.5
69.03461	0.8
69.43906	0.4
69.44573	2.8
71.01391	5.7
72.99334	0.9
73.02950	0.7
79.01887	1.4
79.09651	0.3
81.16602	0.3
81.94682	0.4
82.00613	0.4
83.01398	1.1
85.02954	2.1
87.00889	0.4
89.02448	3.5
95.01391	2.3
96.96020	1.5
97.02952	0.7
101.02466	3.1
107.01417	3.7
110.00084	0.7
111.00893	3.4
113.02456	1.5
119.03519	0.5
123.00903	18.7
124.01733	2.4
125.02460	20.1
126.02796	0.8
127.00398	1.1
136.98837	2.5
137.02472	0.5
139.00383	6.4
140.01186	5.6
141.02005	2.5
151.00386	13.3
152.00832	0.7
153.01913	1.1
167.03569	0.5
168.00647	5.2
169.01442	22.5
170.01765	1.0
211.02489	3.0
212.02635	0.3
231.12575	0.4
271.04568	2.5
292.30447	0.3
297.00436	0.6
313.05801	1.1
333.13461	1.0
413.14560	100.0
414.14908	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72214	0.8
57.03440	0.9
59.01389	10.6
61.98840	1.4
65.70370	0.7
67.01893	0.7
68.99806	1.2
69.03447	1.5
69.60117	4.6
71.01387	18.2
71.05030	8.9
72.99302	1.6
73.02956	1.6
75.00883	1.3
79.73341	0.6
83.01405	1.6
85.02932	3.8
85.06606	1.3
87.00883	1.8
89.02451	4.1
93.03464	4.8
95.01383	1.7
96.96016	14.3
97.02962	0.8
98.20612	1.6
98.23996	0.7
98.95612	1.9
99.04544	3.1
101.02454	4.5
101.06087	9.4
102.06447	0.9
103.04087	1.0
106.95531	0.7
107.01385	1.5
107.05021	0.9
107.09462	0.8
108.02192	1.5
109.02928	3.4
111.00896	1.2
113.02479	3.0
113.06129	1.2
117.05591	75.8
118.05919	2.2
119.03506	2.0
119.47980	0.8
120.99683	7.5
121.02975	2.8
122.03752	100.0
122.99278	4.9
123.00088	1.6
123.00886	9.2
123.04621	9.2
125.02465	9.6
131.07162	6.8
134.13547	0.7
135.04520	2.9
136.01721	1.1
137.02455	14.7
137.06108	0.9
138.05603	0.9
139.00394	3.3
139.86424	0.8
140.01144	2.7
141.01944	1.4
147.04518	2.2
149.06143	0.8
151.00403	6.5
151.04022	3.0
153.01942	1.1
159.06647	4.4
161.04605	0.9
165.05571	9.9
168.00661	1.0
169.01466	10.7
171.06624	0.8
177.05582	2.9
179.03526	2.0
189.07780	2.1
189.12859	2.7
239.05624	1.1
251.09206	2.1
289.11917	5.3
290.12479	1.0
293.12445	8.6
294.12735	1.1
297.03979	0.8
316.16995	0.8
333.10858	5.3
369.06277	2.4
369.15546	7.6
413.01379	1.3
413.10727	19.5
413.14722	20.9
414.10818	2.3
414.15585	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03441	0.5
59.01389	4.5
59.34245	0.3
61.98841	2.0
67.35210	0.4
69.78448	0.4
69.91187	1.4
69.91588	1.0
71.01386	5.0
72.99308	0.7
73.02946	1.5
78.95889	1.0
79.95728	0.4
83.01394	1.1
85.02959	1.9
86.36854	0.4
87.00898	0.4
89.02445	1.2
93.03447	0.6
96.36842	0.4
96.96003	1.8
98.19906	0.5
99.00877	0.7
99.79665	0.4
101.02440	2.6
105.05582	0.6
111.00912	0.4
113.02453	1.5
117.03472	23.0
117.05621	0.6
118.03751	0.9
119.03580	0.7
119.05038	10.8
120.05396	0.6
120.99699	0.8
121.02948	0.8
123.00917	0.5
123.04528	0.4
125.02461	2.0
135.04564	1.4
135.35822	0.4
137.02519	0.4
145.02957	100.0
146.03310	5.5
147.04549	0.5
151.00374	0.5
161.02487	0.6
161.04501	0.8
163.03999	13.3
164.04237	1.0
165.05568	0.6
169.01418	2.3
181.05042	2.1
191.92320	0.4
199.00777	1.5
215.00192	1.0
215.35725	0.4
242.99701	0.5
300.99841	0.7
311.02020	0.8
315.01535	0.6
333.06232	1.5
369.06177	0.6
413.01810	1.6
413.05948	1.6
413.14587	42.0
414.14984	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03456	1.6
59.01384	7.1
61.98819	0.9
71.01394	8.9
71.05022	5.2
73.02939	2.4
83.01371	1.1
85.02947	4.5
89.02451	1.3
91.31545	0.7
96.96003	1.4
97.02969	0.8
98.20744	1.1
99.00872	1.6
101.02452	5.8
105.05570	1.0
113.02453	3.5
117.03475	22.6
117.05585	32.5
118.03822	1.0
118.05884	1.2
119.05019	8.1
125.02425	0.9
133.02994	7.7
135.04539	1.5
145.02962	100.0
146.03304	6.0
153.01935	1.9
161.02449	25.1
161.04585	2.2
162.02673	0.7
163.04022	14.5
164.04396	1.2
169.01474	0.9
179.03482	0.8
235.06107	1.2
250.08517	1.0
251.09187	1.6
256.10706	0.7
269.10291	1.4
325.06958	0.8
336.30576	0.8
354.20459	0.8
369.06262	1.2
395.12820	0.7
413.14542	60.9
414.14816	7.6
430.87076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
56.11268	0.8
57.03423	0.8
58.00591	1.9
59.01383	44.0
64.30376	0.7
69.03466	4.9
71.01389	48.5
71.11601	0.8
72.01740	1.0
72.99306	2.4
73.02963	5.0
73.93847	0.9
75.00908	1.0
81.03461	3.2
83.01390	3.0
85.02953	5.9
85.72946	0.9
89.02449	68.6
90.02782	0.8
95.01393	1.9
97.02959	7.7
99.00895	9.7
99.04521	1.5
101.02445	10.5
107.01419	1.7
111.00884	1.7
113.02461	5.0
115.03989	4.7
119.05036	100.0
120.05379	4.5
121.86027	0.8
123.00905	1.4
125.02454	38.3
126.02790	1.0
127.03989	1.4
131.03508	7.7
143.03514	2.0
149.04568	11.5
151.00380	1.0
152.99593	2.6
155.41858	0.9
161.02393	1.6
161.04597	2.0
169.01443	6.7
173.04538	1.2
191.05618	7.3
192.07901	6.2
199.77097	0.8
205.08728	1.8
207.10291	1.5
211.02426	1.6
229.50436	1.0
233.06659	23.2
234.06876	1.3
251.09267	3.2
271.04672	2.9
293.08807	24.0
294.09158	2.3
297.07559	1.1
298.01328	1.1
310.82666	0.8
311.02127	1.5
311.56281	1.1
312.52823	1.0
313.05539	4.1
323.01978	2.6
339.05054	2.6
341.06683	2.7
369.06064	7.4
370.06421	1.2
380.27350	1.0
413.05161	3.6
413.10443	2.3
414.10907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01386	4.3
61.98831	0.9
67.51872	0.3
69.93661	1.4
71.01392	4.3
73.02948	1.5
75.00865	1.6
77.22443	0.3
79.95741	0.3
83.01405	1.0
85.02960	1.7
89.02438	1.4
94.52224	0.3
95.01424	0.5
96.96016	0.7
98.19954	0.4
99.00877	0.7
101.02454	2.7
105.05592	1.0
107.05022	0.3
113.02468	1.5
117.03478	25.8
118.03810	1.3
119.05037	9.0
119.99618	0.3
120.05434	0.4
120.99738	0.3
123.00836	0.3
123.04569	0.3
125.02460	0.9
133.02934	0.7
134.03798	0.3
137.02446	0.6
145.02963	100.0
146.02116	0.4
146.03307	6.5
147.04504	0.3
160.01678	0.6
161.02490	1.9
161.04604	0.8
161.06032	0.4
163.04015	16.2
164.04317	0.7
175.04001	0.7
179.03514	0.5
182.42026	0.3
185.02281	0.3
185.68379	0.3
205.05040	0.5
207.03012	0.4
236.42867	0.3
237.06030	1.5
265.76358	0.3
272.27243	0.3
281.06845	0.6
289.10904	0.3
307.08069	0.3
311.02118	0.3
313.89459	0.3
352.99472	0.5
369.06403	0.7
380.30029	0.3
413.02301	1.5
413.14581	42.7
414.14917	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	413.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98834	1.0
69.03469	0.9
70.25880	1.1
70.26273	1.4
71.01388	9.7
72.99307	1.3
73.02962	1.5
75.00907	0.6
79.01903	0.7
81.03451	0.6
81.70598	0.6
83.01402	1.8
85.02956	1.7
85.32212	0.6
86.07080	0.6
87.00889	1.1
89.02450	1.2
95.01389	0.9
96.96028	0.9
97.02973	1.7
99.00872	9.5
99.01439	1.0
101.02445	2.6
101.95730	0.6
107.01381	11.5
111.00883	2.1
113.02474	2.1
117.05579	1.6
119.04991	0.8
123.00876	8.8
123.99545	0.6
124.01698	1.2
125.02448	69.5
126.02799	2.9
127.00385	1.4
135.04535	1.5
136.98831	1.2
137.02460	0.8
139.00389	4.0
140.01175	2.3
141.01945	1.5
151.00380	8.9
151.03995	0.7
153.01961	0.8
163.03975	1.7
168.00623	4.2
169.01421	100.0
170.01750	5.1
179.03488	1.2
181.01341	0.7
181.04990	1.1
190.41739	0.6
192.00513	0.9
193.01555	0.7
207.02997	3.0
208.03290	0.7
211.02498	2.5
241.03539	2.0
253.03526	0.7
267.07056	0.5
269.00931	0.8
271.04681	1.1
272.04858	0.6
300.99936	0.9
313.05634	55.5
314.06003	5.3
351.01410	0.6
367.16150	1.3
369.06409	1.9
395.00427	1.1
413.02060	3.3
413.07193	87.7
414.02161	0.7
414.07510	10.7
414.13000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0516
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
59.01397	1.1
59.46225	0.6
67.03342	0.6
69.31719	4.9
71.01383	0.9
73.02949	0.6
79.01986	0.5
85.02945	0.8
95.01414	0.5
96.96022	0.9
99.71191	0.7
101.02392	1.0
103.71523	0.5
123.00892	0.9
125.02446	0.8
132.13741	0.6
133.03023	0.5
133.91046	0.7
136.98694	0.5
142.22246	0.5
145.03003	1.2
161.02409	1.6
161.99516	1.0
169.01450	0.8
170.03728	1.0
173.02409	0.9
179.10791	0.9
184.05290	1.3
188.01202	0.7
189.01917	2.4
195.04567	1.3
198.03267	1.0
201.01956	0.8
202.99849	1.4
211.04036	1.7
212.04730	0.8
213.09198	3.0
214.02696	0.7
217.98573	2.3
223.04042	1.6
223.07677	0.7
224.04787	2.0
225.09143	1.4
226.02789	1.2
227.03424	0.7
228.04329	0.6
229.01488	1.5
237.05606	1.2
238.06401	1.2
239.03496	1.6
240.04259	4.0
241.08768	1.0
242.02271	1.2
245.00977	6.9
245.98091	2.5
246.98811	1.2
251.03506	2.6
251.16293	0.6
252.04272	1.5
253.04921	0.9
253.08704	1.6
254.02356	0.6
255.02992	1.1
259.99667	2.5
265.05127	2.1
266.05743	1.1
267.02994	8.3
268.03784	10.8
269.00937	3.2
269.04257	1.4
269.08194	2.4
270.01663	0.7
273.97598	1.8
279.06522	0.9
280.07318	0.7
281.04565	1.8
281.08182	1.7
282.01749	1.7
282.05359	2.3
283.99588	2.7
295.02518	20.7
296.03143	2.6
297.00565	4.8
297.07681	28.0
298.01086	2.6
298.08014	2.2
307.02646	0.7
307.06091	0.7
309.00357	1.2
311.01996	1.6
313.07224	1.1
323.02164	0.6
323.05621	2.0
325.07205	12.1
326.07568	0.9
330.00516	0.7
339.05240	2.8
341.06677	5.6
367.04486	0.7
369.06192	15.9
370.06558	1.4
413.05142	100.0
414.05502	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	413.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
58.00576	0.9
59.01381	20.0
68.99819	1.8
69.03468	2.2
69.33922	8.1
70.38571	0.8
71.01387	18.3
72.99313	0.9
73.02952	3.9
75.00862	0.9
78.95910	5.7
79.95782	0.8
81.03477	1.1
83.01388	2.0
85.02956	4.9
89.02447	23.3
92.43658	0.8
95.01378	1.4
96.96021	3.4
96.96965	1.4
97.02948	2.5
99.00879	4.6
99.04535	1.1
101.02428	4.9
103.04089	1.0
107.01406	3.5
111.00888	1.2
113.02465	3.2
115.04025	1.3
119.03558	1.2
119.05032	35.4
120.05384	1.6
123.00907	3.5
124.45214	0.8
125.02452	31.2
126.02750	1.3
128.23695	0.8
131.03494	2.6
133.02969	2.1
134.06773	0.8
135.04529	0.9
137.02406	1.3
139.00421	1.8
149.04547	3.1
151.00375	3.0
151.03870	1.0
152.99585	9.3
153.01935	1.2
159.04407	0.9
160.01682	1.5
161.02448	4.1
161.04568	1.3
168.00621	2.5
169.01437	31.8
170.01779	1.5
170.03819	1.5
175.04082	1.6
183.10233	1.6
185.02477	1.1
185.09703	0.9
186.03139	1.0
187.03867	0.8
191.05574	3.2
195.04495	1.1
198.03247	1.8
199.03987	1.0
200.01044	1.3
211.02438	9.3
211.04105	1.3
212.04672	1.0
213.01932	1.5
214.02718	6.5
223.04012	2.3
223.07625	1.3
224.04823	1.3
225.09245	1.9
226.02689	1.5
227.03525	4.3
228.00677	0.9
228.04272	1.0
229.01376	2.5
233.06688	9.1
238.02708	1.0
239.03415	1.2
240.04272	8.4
241.05190	5.5
241.08737	1.6
242.02164	14.9
243.02957	4.0
249.05360	0.9
251.03503	3.0
251.07033	1.4
251.09322	2.1
252.04178	1.2
253.04990	1.1
253.08632	1.6
254.02248	1.3
255.02989	2.7
255.06503	1.1
256.00415	1.0
256.03690	2.1
265.05081	2.0
267.02948	3.5
267.06604	2.8
268.03763	1.5
269.00842	2.8
269.04648	1.5
269.08200	7.1
270.01700	4.6
271.02158	1.8
271.04663	11.9
272.05170	0.9
279.02835	1.0
279.06665	1.6
281.01001	1.5
281.04541	1.6
281.08072	1.3
282.01685	1.2
283.02353	1.4
284.03137	1.5
285.07748	1.4
293.08868	8.6
295.02451	3.3
295.05844	1.7
296.03049	1.5
297.00412	3.0
297.04318	1.4
297.07690	12.1
298.01172	23.4
298.04489	1.6
298.07855	1.4
299.01657	2.7
299.05334	2.0
307.02499	2.3
307.06009	1.6
309.00430	1.1
310.01151	2.6
311.01996	18.1
311.05402	1.7
312.02466	4.1
312.99994	1.5
313.05533	14.0
314.05743	1.0
321.03952	3.9
322.01270	1.5
323.01971	34.0
323.05441	1.9
324.02267	4.1
324.99890	1.6
325.03445	2.2
325.07199	10.6
326.00638	6.9
326.04059	1.1
326.07568	1.7
327.01266	1.5
330.00153	14.5
335.01627	1.3
339.00928	1.8
339.05093	36.8
340.05435	5.5
341.06653	35.3
342.07007	4.8
351.05066	3.6
367.04544	2.9
369.06152	100.0
370.06494	12.2
381.13379	1.4
385.05658	2.8
413.05096	51.4
413.10818	19.0
413.14255	2.8
414.05411	7.1
414.11179	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	412.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26261	1.1
51.93533	1.0
52.82635	1.1
57.03454	6.3
59.01371	7.1
61.98834	50.8
69.03452	2.9
69.67243	7.8
81.03464	4.4
83.01403	3.3
83.04973	1.2
85.02952	5.3
95.01394	1.8
95.05038	2.5
97.02930	2.2
97.06590	1.4
104.29064	1.2
109.02934	2.0
109.06536	1.8
111.04516	3.3
113.02448	11.6
113.06084	2.1
118.87598	1.4
123.00941	1.4
123.04568	7.7
124.01637	1.7
125.02461	12.6
137.02444	4.1
138.03191	1.7
139.04050	7.9
141.05566	3.8
151.07663	3.7
153.01959	2.1
165.01933	1.8
165.05504	1.3
166.02698	1.8
167.03522	10.9
167.07155	1.8
176.04645	1.1
177.05595	1.6
179.03452	4.3
180.04265	1.7
185.06113	1.6
191.03441	1.1
192.87032	1.4
193.05003	1.5
193.89279	1.3
224.31735	1.3
270.83011	1.4
281.55170	1.4
299.20291	2.2
325.21649	2.8
330.17990	7.9
349.20200	30.5
350.20483	4.5
352.28598	2.3
353.21127	4.3
355.18973	1.7
367.22998	1.8
369.16718	2.2
369.20599	7.5
369.24518	2.9
371.18195	2.0
371.22491	6.1
395.22156	4.0
412.22168	12.2
413.23441	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	412.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.52202	4.4
68.99825	5.8
69.85869	8.4
69.86292	15.5
72.80447	4.1
91.03757	3.9
98.19849	4.1
138.03206	5.6
140.99899	4.5
153.05562	8.6
160.82318	4.4
166.02849	4.9
169.13443	4.0
229.62215	4.2
265.67178	4.6
277.57535	4.6
301.21805	6.1
411.21683	10.3
412.25775	9.9
413.23206	49.9
413.27075	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	413.0517
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
56.87323	0.5
57.03443	1.0
59.01393	7.5
59.88054	0.5
61.98819	1.6
71.01391	4.6
71.62088	1.0
72.99298	0.8
73.02960	1.4
78.46909	0.6
81.03471	0.8
83.01381	0.8
83.05032	0.8
85.02957	2.3
87.00879	0.7
89.02448	2.1
93.03481	0.9
95.01388	0.8
96.96007	2.4
99.00880	0.7
101.02443	2.7
107.01390	1.5
111.00915	0.7
112.83941	0.6
113.02455	1.6
119.03519	1.1
120.99645	1.5
123.00912	1.5
123.04503	0.8
125.02467	6.8
135.04530	1.0
137.02461	1.7
138.31966	0.6
139.00424	1.1
139.04001	1.0
140.01146	1.9
145.02974	0.9
147.00871	0.8
151.00397	1.2
153.05614	1.0
155.03502	0.7
161.04536	1.8
168.00642	1.1
169.01442	5.6
173.02426	1.2
177.02005	0.7
179.03531	0.8
183.04390	0.7
185.02464	1.2
189.01898	1.0
193.01445	1.9
200.01134	1.3
200.04645	0.6
201.01956	0.9
207.13873	0.9
211.02379	0.7
211.06046	1.7
211.97160	0.6
213.01892	1.3
214.02751	1.5
216.00725	0.8
217.01427	1.3
221.00958	2.6
227.03528	1.9
228.00629	1.4
228.04124	1.2
229.01288	1.5
239.03574	0.7
240.04242	1.2
241.01526	0.9
242.02144	1.5
244.00146	1.7
245.00920	2.1
251.16585	1.7
253.04997	0.8
255.02925	1.7
256.03824	1.0
258.01611	0.9
266.02255	1.5
267.02960	1.1
269.00903	3.1
269.08380	0.7
270.01688	0.8
271.99719	0.7
273.00397	2.5
274.01102	1.7
275.01941	1.5
281.00870	0.6
282.98889	1.0
283.02423	1.9
284.03247	3.4
285.00644	1.0
285.03967	0.7
285.07501	0.9
286.98468	0.8
295.02570	1.5
297.00443	1.0
297.07428	0.7
298.01196	3.5
299.01779	0.7
299.99142	8.6
300.02518	1.4
300.99872	7.4
302.00305	0.9
311.02136	0.9
312.02762	6.9
313.03433	1.6
313.07193	0.7
314.00677	0.7
314.97986	1.0
315.01334	1.0
323.05783	1.4
325.07205	2.4
327.01553	1.0
328.02258	2.0
333.09677	1.8
334.10184	0.6
338.00711	4.6
338.11935	20.7
339.01636	2.9
339.04984	0.6
340.99271	0.7
341.06570	1.4
342.00168	1.0
351.04886	0.8
352.05917	0.6
356.01761	3.2
357.02176	0.7
357.06152	2.2
369.06177	9.9
369.22577	0.7
370.06625	1.5
385.05734	5.3
395.04211	2.4
396.04636	0.6
413.05173	100.0
413.20419	3.2
413.26291	1.3
414.05502	14.8
414.12344	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	412.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68851	1.0
54.31321	1.0
55.09748	1.1
57.03445	3.7
59.01380	4.4
60.85969	1.1
61.98833	100.0
65.60722	1.1
70.23636	4.2
71.05023	1.9
78.19093	1.0
81.03462	6.9
83.01397	2.5
83.05035	3.7
95.05057	1.2
99.04507	1.4
109.02931	2.0
109.06577	1.4
111.04535	1.2
113.02473	1.1
123.04523	3.4
125.02449	18.6
125.06107	1.4
127.04035	4.2
128.04366	1.5
128.65253	1.0
151.00348	1.1
151.04051	4.0
152.04378	1.7
153.05577	5.3
179.03468	1.3
184.58432	1.0
184.74094	1.2
221.08180	1.7
222.08470	1.3
242.55376	1.0
245.15434	5.1
285.18634	1.4
289.14679	5.5
305.17654	1.7
307.15472	1.7
311.06564	1.3
349.16541	25.8
349.20532	2.1
350.16916	3.1
369.20752	4.1
371.18698	3.3
393.22461	1.3
394.23166	4.2
411.23752	4.5
412.18640	1.6
412.24252	31.1
413.19644	45.0
413.23865	2.5
437.72806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2539
Annotation	Robustol
Peak:m/z	Relative Intensity
55.01882	1.5
64.23648	0.8
68.14017	0.7
73.27631	0.7
79.01892	4.3
85.06591	7.4
85.45141	0.8
91.05549	1.4
96.77619	0.8
97.02968	2.6
107.05054	1.5
108.56911	0.8
109.06577	7.7
111.04522	7.3
121.23743	0.8
135.04578	3.6
138.92319	0.8
151.04045	2.4
153.05585	24.5
154.05952	1.1
179.03513	2.7
180.04314	6.0
193.05159	1.1
194.05925	2.2
207.06670	1.7
249.11356	1.0
250.12036	0.8
271.87714	1.0
301.03046	0.8
323.22418	1.7
367.26541	4.7
411.25519	100.0
412.25931	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22006	0.3
61.98815	0.7
72.16765	0.3
79.01897	1.0
81.03470	0.4
83.01400	0.4
92.59574	0.3
93.03432	0.3
95.01419	0.4
99.92632	0.3
103.75844	0.3
104.91180	0.3
105.03454	0.3
107.01434	0.3
107.05029	0.4
108.02177	0.4
109.02968	3.9
109.06580	0.5
110.85954	0.3
111.04523	2.3
113.34790	0.4
119.05029	0.5
119.35998	0.4
121.02962	1.1
123.04537	1.7
125.06170	0.4
135.00879	1.2
135.04512	1.4
136.05304	0.8
137.02489	2.6
137.06123	0.3
138.03250	5.8
139.03990	1.3
148.05313	0.3
149.02422	1.9
149.06001	0.6
150.03229	0.7
151.04018	5.2
152.04755	0.7
153.05598	6.4
159.51819	0.4
163.00345	0.6
163.04021	0.5
164.01163	0.7
164.04803	2.3
165.01904	3.5
165.05464	0.6
166.02728	7.9
170.02214	0.6
177.01958	1.9
177.05565	0.9
178.02704	3.0
178.06212	0.6
179.03511	12.6
180.04256	2.6
191.03484	1.0
192.04225	0.6
193.05060	4.7
194.05759	0.7
198.01764	0.4
205.05026	1.1
207.06572	1.7
212.03250	0.4
221.08197	0.5
235.09723	1.4
237.96443	0.4
247.09824	0.6
249.11337	1.8
263.12958	0.6
303.16043	1.0
315.15894	0.6
327.23190	0.4
341.17645	0.9
355.19113	0.5
367.26630	0.4
369.24411	1.7
381.20755	0.9
383.25867	4.0
384.26205	0.6
393.24557	0.4
395.22269	1.9
396.22925	0.6
411.25430	100.0
412.25790	18.7
412.31482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03447	0.6
68.10166	0.4
69.60311	3.0
71.05016	0.8
71.34740	0.4
73.02947	0.5
77.51691	0.4
79.01902	4.0
85.06600	5.6
91.05536	0.6
96.57323	0.4
97.02966	2.3
107.05016	0.6
109.06599	6.3
111.04533	5.9
123.04539	0.5
135.04515	3.2
138.03322	0.5
140.44067	0.4
149.06081	0.5
151.04007	1.5
152.04781	1.3
153.05589	22.6
154.05940	1.7
163.07632	0.7
165.01918	1.1
165.05530	0.5
175.03987	0.4
179.03519	5.5
180.04294	9.8
181.04691	0.5
191.01118	0.4
191.10788	0.6
193.05067	1.0
194.05876	4.9
207.06627	4.7
208.07315	1.0
212.03409	0.5
221.08144	1.5
235.09779	1.2
236.10449	0.9
249.11348	1.6
250.12047	0.6
263.12863	1.4
264.13644	0.8
311.23663	0.6
317.17661	0.7
355.19183	0.9
365.24930	0.8
367.26447	5.7
368.26828	1.3
411.25409	100.0
412.25778	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	411.254
Annotation	Robustol
Peak:m/z	Relative Intensity
54.22006	0.3
61.98815	0.7
72.16765	0.3
79.01897	1.0
81.03470	0.4
83.01400	0.4
92.59574	0.3
93.03432	0.3
95.01419	0.4
99.92632	0.3
103.75844	0.3
104.91180	0.3
105.03454	0.3
107.01434	0.3
107.05029	0.4
108.02177	0.4
109.02968	3.9
109.06580	0.5
110.85954	0.3
111.04523	2.3
113.34790	0.4
119.05029	0.5
119.35998	0.4
121.02962	1.1
123.04537	1.7
125.06170	0.4
135.00879	1.2
135.04512	1.4
136.05304	0.8
137.02489	2.6
137.06123	0.3
138.03250	5.8
139.03990	1.3
148.05313	0.3
149.02422	1.9
149.06001	0.6
150.03229	0.7
151.04018	5.2
152.04755	0.7
153.05598	6.4
159.51819	0.4
163.00345	0.6
163.04021	0.5
164.01163	0.7
164.04803	2.3
165.01904	3.5
165.05464	0.6
166.02728	7.9
170.02214	0.6
177.01958	1.9
177.05565	0.9
178.02704	3.0
178.06212	0.6
179.03511	12.6
180.04256	2.6
191.03484	1.0
192.04225	0.6
193.05060	4.7
194.05759	0.7
198.01764	0.4
205.05026	1.1
207.06572	1.7
212.03250	0.4
221.08197	0.5
235.09723	1.4
237.96443	0.4
247.09824	0.6
249.11337	1.8
263.12958	0.6
303.16043	1.0
315.15894	0.6
327.23190	0.4
341.17645	0.9
355.19113	0.5
367.26630	0.4
369.24411	1.7
381.20755	0.9
383.25867	4.0
384.26205	0.6
393.24557	0.4
395.22269	1.9
396.22925	0.6
411.25430	100.0
412.25790	18.7
412.31482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2544
Annotation	Robustol
Peak:m/z	Relative Intensity
55.01875	1.0
69.71849	2.2
79.01892	2.9
81.79749	0.5
85.06593	6.1
87.20180	0.5
91.05510	0.9
94.21896	0.4
97.02960	1.7
98.19939	0.6
103.90401	0.6
107.05001	0.9
109.06608	7.1
111.04536	6.3
118.89912	0.5
135.04530	3.3
149.06013	0.6
151.04044	1.6
152.04799	1.7
153.05582	20.5
154.05983	0.8
165.01923	2.0
165.05618	0.6
179.03528	5.0
179.07030	0.6
180.04292	10.1
181.04605	0.9
184.03740	0.6
193.05070	0.9
194.05815	4.6
205.12254	0.7
207.06624	4.6
212.03221	1.3
214.41151	0.6
221.08218	1.4
235.09827	1.2
249.11333	2.4
250.11845	0.6
263.12927	2.6
269.81860	0.5
311.23849	0.7
318.18387	1.7
319.19131	0.8
321.62622	0.6
367.26398	6.2
368.26804	0.7
411.25409	100.0
412.25742	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	411.2392
Annotation	Grayanotoxin I
Peak:m/z	Relative Intensity
51.25661	0.5
55.72482	0.5
57.03455	0.6
59.01373	1.0
61.12124	0.6
62.62729	0.5
69.03473	0.8
71.05031	5.8
71.37704	0.8
71.84441	0.7
73.02946	1.0
81.03460	0.8
83.05035	2.6
85.02976	1.4
94.78683	0.6
95.05051	1.1
97.02978	1.0
97.06596	1.9
99.04549	5.8
107.05042	1.7
108.02171	0.7
109.02966	7.9
109.06612	0.9
111.04557	4.3
113.02454	4.4
120.53699	0.6
121.06590	0.9
123.04535	8.3
125.02441	2.1
125.06104	4.2
127.04027	14.3
131.08301	0.7
135.00847	0.8
135.08241	1.0
136.05286	0.7
137.06100	0.8
141.05670	0.6
141.12883	3.9
151.04022	15.2
151.07721	0.7
152.04626	1.3
153.01958	1.0
153.05602	5.4
155.03510	0.7
155.14351	0.9
165.05499	0.8
167.03476	1.0
169.05086	3.4
177.01950	0.8
177.09212	2.5
178.02705	0.6
178.06381	1.0
179.07082	1.9
185.15430	1.4
192.04306	0.6
205.05208	1.1
216.06619	0.6
221.08261	2.7
221.19159	1.5
241.18163	1.4
259.19083	0.9
280.63608	0.6
351.21738	2.6
355.21304	2.5
365.23328	3.2
367.24918	0.9
369.23013	1.0
393.22812	16.7
393.27954	0.8
394.23163	2.7
396.21576	1.4
411.23892	100.0
412.24252	17.4
433.22360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
61.31131	0.3
63.20087	0.3
70.08916	1.8
71.05029	15.0
71.28937	0.4
71.43928	0.4
79.01891	0.5
83.01399	1.5
85.02953	0.4
89.07224	0.4
95.05051	1.6
97.02963	6.9
121.02966	0.5
124.26641	0.4
125.58360	0.4
134.29922	0.4
135.04494	0.9
137.06108	0.6
139.04028	100.0
140.04391	5.1
152.99612	0.5
163.04022	1.1
164.14177	0.4
165.02048	0.8
181.05101	1.7
206.53391	0.4
271.17026	2.4
276.48901	0.4
322.19800	0.4
323.22418	0.7
357.20697	0.8
411.21457	6.4
412.22260	1.3
426.50607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23112	0.5
57.03443	1.5
59.01382	3.0
61.98833	30.9
68.99834	0.6
69.03442	1.0
71.05028	8.0
73.02946	1.3
81.03462	2.2
83.01396	1.0
83.05031	3.3
85.02950	1.8
89.10493	0.4
95.05029	1.5
96.96000	0.7
97.02969	0.9
97.06593	4.8
98.20632	1.4
99.04533	7.4
99.92578	0.6
107.05027	2.1
108.02178	0.9
109.02962	9.5
109.06630	1.2
111.04523	4.5
113.02444	5.5
121.06586	2.0
122.03769	0.7
123.04536	12.4
124.01680	1.2
125.02447	3.1
125.06081	4.9
127.04019	20.0
128.04465	0.7
131.08252	0.9
133.06587	0.7
135.00874	1.9
135.04550	0.9
135.08174	1.8
136.05284	0.9
137.02391	0.7
137.06090	1.2
139.03990	1.5
141.12881	3.5
151.04015	19.1
151.07629	1.8
152.04692	2.1
153.05583	5.3
155.14392	1.2
161.06125	0.5
163.03960	0.6
165.05525	0.6
167.03526	1.1
169.05063	5.3
172.66167	0.5
177.01941	1.0
177.05589	0.8
177.09204	3.8
177.77000	0.5
178.06367	0.9
179.07193	2.9
182.02258	0.6
185.15518	0.8
189.05444	0.8
193.04996	0.8
193.08806	0.8
195.06650	1.3
205.05109	0.5
221.08234	3.8
221.19093	1.4
245.15514	1.2
289.14499	2.2
305.17691	0.9
325.23798	0.6
349.16556	9.6
349.20432	0.9
349.23862	1.1
351.21817	2.2
355.21332	2.1
365.23309	1.9
367.24960	1.1
393.22806	13.9
394.23083	1.9
396.21558	1.3
411.23889	100.0
412.24234	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.218
Annotation	Pallidone J
Peak:m/z	Relative Intensity
55.01881	0.9
57.03458	0.3
61.37294	0.3
69.75529	0.9
69.75941	0.7
71.05028	15.7
72.05360	0.6
79.01893	0.4
83.01395	1.8
85.02959	0.3
95.05039	2.3
97.02960	8.4
97.03566	0.5
97.06591	0.2
98.03280	0.4
119.05025	0.5
121.02991	0.6
135.04512	0.6
137.06075	0.5
139.04024	100.0
140.04347	4.7
140.05341	0.4
148.44771	0.3
152.99594	0.5
153.05589	0.5
163.04042	1.6
165.01933	0.7
181.05063	2.0
216.14143	0.3
271.17023	2.8
272.17484	0.5
323.22299	0.5
369.25659	0.3
411.21527	6.6
411.30646	0.6
412.21942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2179
Annotation	preandiloid B
Peak:m/z	Relative Intensity
53.94632	0.7
57.03457	7.5
59.01379	2.9
65.00328	1.0
71.05019	6.7
77.03958	0.7
77.91705	0.7
79.01899	2.7
80.91688	1.9
81.03451	5.6
83.01397	2.4
83.05038	2.0
85.02950	5.8
87.00896	1.1
89.69350	0.8
93.03475	0.9
95.01393	2.4
95.05025	12.0
97.02955	3.3
97.06587	1.7
98.19852	2.4
109.02967	1.2
113.84970	0.7
116.04511	0.7
121.02946	2.2
123.04554	5.6
124.92855	0.7
125.02470	11.7
133.06607	0.9
134.77635	0.8
135.04544	0.9
135.08165	1.0
137.06108	0.8
138.03238	2.6
139.04015	36.7
140.03204	1.0
140.04332	1.5
147.08205	0.9
149.06010	0.9
151.00374	1.1
165.01892	4.8
166.02736	7.0
167.03503	2.5
167.07077	0.9
169.15982	2.6
179.03535	2.0
180.04344	4.4
193.05096	5.2
198.01561	0.8
203.88919	0.8
207.06636	1.1
221.08022	1.2
229.54674	1.2
235.09845	1.0
262.46222	0.8
285.18713	2.6
307.22827	1.1
323.21198	1.1
327.16019	1.3
329.17542	19.8
330.17856	3.4
349.23889	1.0
351.21783	6.3
353.17419	1.6
367.19043	2.5
367.23093	1.7
393.22482	1.4
394.23633	1.3
411.21762	100.0
412.22070	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94632	0.7
57.03457	7.5
59.01379	2.9
65.00328	1.0
71.05019	6.7
77.03958	0.7
77.91705	0.7
79.01899	2.7
80.91688	1.9
81.03451	5.6
83.01397	2.4
83.05038	2.0
85.02950	5.8
87.00896	1.1
89.69350	0.8
93.03475	0.9
95.01393	2.4
95.05025	12.0
97.02955	3.3
97.06587	1.7
98.19852	2.4
109.02967	1.2
113.84970	0.7
116.04511	0.7
121.02946	2.2
123.04554	5.6
124.92855	0.7
125.02470	11.7
133.06607	0.9
134.77635	0.8
135.04544	0.9
135.08165	1.0
137.06108	0.8
138.03238	2.6
139.04015	36.7
140.03204	1.0
140.04332	1.5
147.08205	0.9
149.06010	0.9
151.00374	1.1
165.01892	4.8
166.02736	7.0
167.03503	2.5
167.07077	0.9
169.15982	2.6
179.03535	2.0
180.04344	4.4
193.05096	5.2
198.01561	0.8
203.88919	0.8
207.06636	1.1
221.08022	1.2
229.54674	1.2
235.09845	1.0
262.46222	0.8
285.18713	2.6
307.22827	1.1
323.21198	1.1
327.16019	1.3
329.17542	19.8
330.17856	3.4
349.23889	1.0
351.21783	6.3
353.17419	1.6
367.19043	2.5
367.23093	1.7
393.22482	1.4
394.23633	1.3
411.21762	100.0
412.22070	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32032	0.5
55.01863	1.5
57.03444	1.6
59.01382	50.3
61.98833	0.7
69.47968	3.3
69.48377	1.3
71.01388	16.1
71.05028	10.8
72.47818	0.6
72.99306	1.1
73.02943	6.5
75.00875	1.0
77.19303	0.5
83.01391	2.6
85.02946	8.8
87.00886	1.7
89.02441	3.5
93.03441	3.0
95.01409	1.3
96.96023	2.6
97.02942	0.7
98.20630	1.1
99.00875	3.3
101.02449	13.6
101.06064	0.8
103.04055	0.6
113.02464	6.4
117.05583	100.0
118.05934	4.0
119.05019	0.8
120.99679	1.2
125.02463	2.1
131.03516	0.9
137.02461	0.9
143.03477	0.7
145.02962	2.4
159.03001	1.5
161.04601	6.7
163.03996	0.8
165.01967	1.0
169.01508	0.8
233.06709	0.7
249.03899	0.7
251.11420	2.9
279.14514	17.0
280.14813	1.3
339.01437	2.4
339.05093	1.1
367.01080	2.3
410.99976	1.7
411.09033	1.2
411.13400	0.8
411.18713	15.0
412.18951	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	411.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91638	0.5
57.03453	13.1
59.01368	1.4
61.98831	0.9
63.02402	0.9
65.00343	1.5
69.63733	2.6
79.37215	0.5
81.03460	9.0
83.01391	8.5
95.05062	1.2
107.01394	2.5
117.23027	0.5
123.04531	37.0
124.04885	1.3
125.02454	100.0
126.02806	4.0
138.80307	0.6
144.80727	0.7
148.00615	0.5
149.02452	2.8
151.00381	6.8
167.03502	80.1
168.03860	3.7
182.77374	0.5
191.03595	0.7
193.01418	37.3
194.01712	1.3
228.73045	0.5
270.53583	0.5
271.54630	0.5
285.14951	2.1
367.19159	0.8
393.16904	0.8
411.21811	6.6
411.26407	1.1
411.31268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.7
59.01379	1.3
61.98825	4.1
65.00306	1.1
76.17994	0.6
81.03465	9.4
83.01389	8.7
83.05003	0.8
95.05051	1.5
107.01386	2.9
107.72496	0.6
113.06739	0.7
123.04530	33.4
124.04876	1.5
125.02454	100.0
126.02798	3.5
149.02449	3.2
151.00375	5.1
167.03502	73.7
167.68779	0.7
168.03806	3.3
193.01421	33.3
194.01720	1.8
210.41069	0.7
229.63277	0.6
285.14993	2.0
348.18942	2.5
411.17523	1.0
411.21942	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40313	0.7
57.03473	0.8
59.01385	100.0
60.01720	1.4
61.98839	2.3
70.74659	1.9
71.01382	8.1
71.01708	0.7
71.05026	8.3
72.75930	0.7
72.99319	0.7
73.02951	3.9
74.99109	1.5
75.00883	0.9
83.01402	1.0
85.00286	0.6
85.02953	3.8
85.11889	0.6
87.00891	1.2
87.04520	4.2
89.02451	3.2
96.96017	6.8
97.02979	1.1
98.20493	0.7
99.00917	1.1
99.04541	1.5
101.02459	7.6
101.06086	6.2
103.04024	0.9
105.01965	1.3
108.02115	0.7
113.02458	3.4
115.07645	5.1
117.05590	60.0
118.05942	3.4
118.85252	0.6
119.03555	1.0
120.99700	1.7
123.00919	2.0
125.02437	4.0
131.05032	0.6
131.07166	1.9
139.00441	0.9
145.03023	1.4
147.06674	0.7
149.02339	0.8
151.00427	1.6
159.03064	0.8
161.04585	2.6
163.04008	0.7
165.07755	1.8
169.01440	3.4
189.07808	0.8
205.05153	2.0
206.08331	0.6
249.04037	0.9
251.11366	6.8
267.03000	1.4
279.14691	1.5
293.12485	3.8
309.12045	2.1
339.01685	2.6
351.20313	0.9
367.01065	2.9
392.99106	0.9
411.00189	2.8
411.13177	2.1
411.19373	4.4
412.00308	1.1
412.12680	8.8
412.17407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00159	1.5
56.52990	1.5
57.03444	2.2
58.00600	3.6
58.32484	1.5
59.01383	64.7
61.98846	2.5
64.55048	2.0
68.76945	1.6
69.03458	2.4
69.93726	1.7
71.01383	43.5
71.61996	2.1
72.99324	1.7
73.02943	3.7
79.05547	4.3
79.95744	2.8
81.03461	2.5
83.01410	3.5
83.05044	6.1
85.02940	10.0
89.02448	42.0
95.01372	5.0
95.05042	3.1
96.13101	1.8
96.96020	10.0
99.04547	4.8
101.02450	22.3
107.05025	4.1
111.04462	1.8
113.02454	24.9
119.03519	10.0
120.05773	2.9
121.06519	1.8
123.04491	4.4
123.08158	2.2
125.02448	4.0
125.26785	1.8
131.03564	2.5
139.03984	2.3
143.03525	3.2
147.11812	3.0
149.05905	1.8
152.01157	2.5
153.05582	2.1
159.08150	2.4
161.04494	4.0
161.13373	34.7
165.05540	7.8
167.03499	5.4
169.01405	2.3
179.05605	6.4
185.13348	5.3
187.11292	27.0
188.11588	3.9
205.12341	100.0
206.12700	7.5
219.13896	3.6
229.12321	26.4
230.12630	3.3
247.13368	6.4
249.11331	25.5
249.13885	2.5
249.14992	3.5
259.13477	2.1
261.18552	6.8
271.13443	2.2
277.21713	3.6
291.12338	3.1
323.05762	2.2
336.10172	3.3
349.23782	13.0
350.24213	3.0
411.03207	4.4
411.17099	5.8
411.23990	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0244
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01385	1.1
69.51025	3.2
71.01398	2.6
73.02969	0.8
79.95747	3.8
80.96526	3.5
85.02966	0.7
87.00890	0.6
96.96019	100.0
101.02448	1.4
113.02498	0.9
117.05618	1.1
122.97632	0.4
125.02461	15.2
126.02788	0.5
138.97107	8.1
150.97052	1.2
164.98657	1.1
168.98282	0.8
169.01447	24.3
170.01793	0.9
179.91788	0.5
180.98143	0.8
222.99178	2.2
232.81566	0.6
241.00249	67.7
242.00629	3.2
258.55969	0.5
331.06686	2.1
384.83914	0.4
411.02408	47.9
412.02658	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0243
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01374	1.1
68.10815	0.5
69.03460	0.6
70.30463	1.1
70.30856	1.0
71.01396	2.8
73.02964	1.1
79.95752	3.0
80.96530	3.4
85.02962	0.9
86.71065	0.5
87.00867	1.2
95.95238	0.6
96.96023	100.0
97.02918	0.7
97.95943	0.6
101.02454	1.0
113.02451	0.6
113.12189	0.5
114.35587	0.5
122.97594	0.6
125.02466	14.2
126.02804	0.6
138.97083	10.7
150.97101	1.3
151.85455	0.5
154.64331	0.5
164.98572	0.8
169.01443	25.7
172.83578	0.5
176.19989	0.5
180.98241	1.1
183.12782	0.4
222.99164	1.5
241.00259	61.9
242.00629	2.4
257.86575	0.5
280.14261	0.5
331.06815	3.6
336.94446	0.5
367.03357	0.8
411.02429	44.9
411.09311	2.8
412.02692	5.1
412.08350	0.8
412.09241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78378	0.7
50.87322	0.6
59.01382	0.7
61.98836	2.8
70.03979	2.8
72.00394	1.0
73.01177	1.8
73.94406	0.6
79.95733	0.8
85.02983	0.8
96.96014	36.8
98.01104	0.7
98.19804	0.7
120.99659	100.0
121.99979	2.6
125.02425	1.5
127.05863	1.1
145.02956	1.5
163.03978	0.8
169.01376	1.1
199.11646	4.7
219.96982	0.6
241.44472	0.7
265.09372	0.8
319.72147	0.7
331.12228	14.4
332.12650	1.7
411.07938	34.1
411.12927	2.9
412.08231	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	411.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38374	0.3
56.11826	0.3
58.00598	0.5
59.01385	6.5
69.03463	1.2
71.01388	3.4
71.05025	13.8
73.02957	1.0
75.00879	1.3
83.01401	0.5
85.02941	0.8
87.00872	1.1
89.02448	2.6
96.96033	1.0
97.02916	0.4
98.20723	0.6
99.00910	0.5
99.04545	2.6
101.02468	2.4
101.06106	1.0
113.02458	1.4
113.06085	0.8
117.05585	100.0
118.05161	0.4
118.05918	2.9
119.03500	0.9
125.02443	0.5
131.03560	0.4
131.07147	2.0
133.05116	0.3
143.03506	0.4
147.03172	0.4
149.04568	0.4
154.16168	0.3
159.06630	7.2
161.04581	0.5
169.01453	0.4
189.07687	2.3
190.08046	0.4
205.04997	0.4
211.02419	0.6
219.08759	1.0
241.00230	0.8
249.03929	0.5
271.04614	0.4
388.07391	0.3
393.85828	0.3
411.15057	35.6
412.15598	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	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41945	2.8
55.32643	2.9
57.03445	7.5
57.40152	2.4
59.01389	5.5
60.99303	9.6
61.98841	3.1
63.31117	2.6
68.67233	3.0
71.60459	3.1
81.03464	4.5
83.01422	4.6
85.02951	4.4
88.98815	100.0
96.96009	5.9
99.04535	9.6
101.06171	2.9
101.10944	3.3
103.59224	3.0
111.24691	3.2
123.04540	18.4
124.05370	3.1
125.02457	17.4
125.32198	3.3
147.31314	3.6
151.04057	3.5
153.05547	16.1
167.03513	35.5
192.99207	3.3
241.18025	7.6
311.25925	4.8
367.24594	5.2
367.28635	4.0
411.22632	18.3
411.27631	17.2
412.24258	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	411.1661
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
57.03447	1.0
59.01379	0.7
61.98826	0.3
63.02398	0.3
65.00317	1.9
65.84689	0.2
71.01381	0.2
71.61090	0.2
71.61464	0.3
81.02978	0.4
81.03461	6.7
83.01392	2.7
85.02925	0.3
87.00874	0.3
92.16079	0.2
95.01385	0.3
95.05009	0.4
96.96008	0.8
104.65584	0.2
107.01392	3.0
107.05034	0.3
109.02934	0.4
117.03659	0.2
121.02940	0.4
121.10219	0.2
122.03725	0.6
123.00839	0.3
123.04500	0.2
123.08160	0.6
124.01682	1.0
125.02454	9.7
126.02774	0.4
137.06107	1.2
139.11290	0.6
141.09183	0.4
147.08153	0.3
149.02412	1.5
151.00377	7.2
152.01181	1.2
153.05605	0.4
161.09763	0.2
163.11288	1.9
164.04826	0.2
165.09203	4.0
166.02721	0.3
181.12198	0.2
187.11256	0.4
188.04735	0.4
190.09897	0.3
202.06331	0.3
205.12335	15.7
206.12740	1.2
231.10292	1.7
249.11317	100.0
250.11641	9.9
273.11304	0.5
280.50302	0.3
291.12378	0.9
349.20279	0.6
411.03836	0.3
411.16519	0.7
411.24265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.5
61.98834	100.0
63.51110	1.6
71.61678	1.9
74.57155	1.6
79.63524	1.5
87.26345	1.3
125.02442	5.6
347.18411	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	410.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80315	1.9
57.17240	1.6
58.58303	1.8
61.62220	1.7
61.98833	100.0
69.38696	1.5
69.60087	6.8
69.60496	5.0
80.21152	1.7
83.01878	1.9
91.99960	1.8
111.04551	1.6
125.02476	2.7
153.05573	1.9
303.23233	7.2
306.34598	2.3
347.22302	23.0
348.22580	3.0
372.23019	2.0
374.24182	3.3
410.24210	18.2
411.21100	3.5
411.25208	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	410.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19844	1.7
56.87284	1.2
57.86239	1.4
59.01372	2.2
61.98837	100.0
69.39375	1.8
87.65442	1.6
98.19866	3.7
109.75071	1.6
137.61826	1.7
179.03253	1.7
187.54662	1.7
203.03502	1.8
410.24185	15.5
411.26016	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	410.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37464	1.5
50.98249	1.4
51.35490	1.3
54.28041	1.4
57.81129	1.4
61.98835	100.0
69.64450	9.4
114.64385	1.5
114.67077	1.3
127.08787	1.4
139.04007	2.2
252.27339	1.4
303.23291	2.9
347.22269	17.6
348.22681	2.4
410.24203	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	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
66.85759	0.6
69.86168	1.0
69.86573	2.5
81.14089	0.6
91.70441	0.6
93.03445	0.8
97.07771	0.7
109.02947	2.0
111.04519	1.2
111.55301	0.7
123.04592	1.7
135.00867	0.7
135.04601	1.0
137.02444	1.1
138.03268	2.7
149.02425	0.8
151.04033	2.9
153.05595	3.2
160.56567	0.6
164.04782	0.9
165.01912	1.7
166.02695	4.2
168.44801	0.6
177.01996	0.9
178.02756	1.3
179.03522	6.0
180.04311	1.4
193.05078	2.2
207.06491	1.3
221.08292	0.8
249.11368	0.9
285.53845	0.7
305.75882	0.7
346.64542	0.6
347.25943	0.8
367.26471	0.8
369.24271	0.8
375.25830	0.8
383.26089	2.7
383.34888	0.6
395.22180	1.7
405.15604	0.6
410.23990	1.0
410.28897	1.7
411.25433	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	17.7
59.01376	5.3
61.98839	67.4
71.61069	7.1
81.03471	8.2
83.01389	6.9
85.02930	6.3
107.01431	4.0
123.04556	28.6
125.02462	100.0
136.80673	4.8
137.06075	5.4
147.04453	4.4
151.00342	12.8
167.03499	57.7
170.98799	4.3
173.74721	3.9
183.58015	3.7
193.01418	34.2
203.01567	4.3
246.18813	3.8
322.21008	11.3
347.18719	40.4
348.19040	8.8
375.21753	5.2
392.21591	6.3
410.22504	7.2
411.17099	5.6
411.21844	63.2
411.30264	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	410.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19870	2.3
57.03439	3.4
58.76780	2.4
61.98835	100.0
67.75603	2.3
69.56717	5.0
69.57130	15.5
74.67916	2.6
81.03450	7.3
83.05022	3.5
119.04913	2.5
123.04516	3.5
125.02462	23.3
126.02839	3.0
127.04074	3.2
127.11264	5.4
149.09682	3.5
201.05449	3.3
221.15462	5.3
324.06036	2.3
347.18661	68.2
348.18979	9.3
350.20593	8.2
358.06610	2.7
410.22617	33.8
411.22800	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	410.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73724	1.7
57.03468	2.8
59.01400	2.1
61.98835	100.0
69.49752	5.5
69.50181	7.2
79.55415	1.5
80.22698	1.6
80.61422	1.6
81.03477	3.0
81.31699	1.9
83.01424	2.4
85.02960	3.4
101.11861	1.5
111.02761	1.5
123.04552	5.6
125.02475	16.7
133.13322	1.6
151.00438	2.4
167.03455	12.3
193.01498	6.0
241.39131	2.0
321.20673	1.9
322.21112	10.7
323.21075	1.8
328.16498	3.3
340.34402	1.8
367.19049	3.6
392.21780	2.9
393.21140	2.1
411.21762	32.8
427.53296	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	410.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61165	1.9
61.98835	100.0
69.62385	12.0
81.03474	4.8
82.82615	1.8
89.13310	1.8
125.02441	6.5
131.08330	2.4
155.31717	1.9
160.59132	1.8
165.67024	1.8
347.18640	53.5
348.19095	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	409.2365
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
50.13336	0.3
69.03481	0.4
69.84030	1.7
77.21292	0.3
77.94306	0.3
78.95911	74.7
85.90476	0.3
91.63815	0.3
96.96976	5.7
139.20601	0.3
140.22362	0.3
147.78360	0.3
150.15240	0.3
150.97993	1.8
152.99600	100.0
153.58751	0.3
153.99953	2.1
171.00653	3.1
206.07759	0.3
255.23352	2.5
297.10541	0.3
409.23682	12.7
409.29016	1.2
410.24014	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	409.2594
Annotation	Betaenone F
Peak:m/z	Relative Intensity
50.11615	0.3
55.01880	0.8
55.52938	0.4
57.03448	1.9
59.01374	2.1
59.72077	0.4
61.44379	0.4
67.01888	0.4
70.21299	1.6
71.05029	3.9
73.02948	0.9
73.78223	0.4
79.01891	1.7
81.03465	1.0
83.01376	0.5
83.05026	0.7
85.02959	2.2
86.66943	0.4
87.00908	0.4
91.67650	0.4
95.01390	0.6
95.05033	14.2
96.05382	0.5
97.02954	3.8
97.06583	1.5
99.04551	0.4
99.08164	6.5
109.06593	0.5
111.04540	0.5
121.02953	0.8
121.06576	0.5
121.58798	0.4
123.04479	0.5
123.07336	0.7
123.08170	9.0
124.01646	1.7
125.02428	1.2
125.06042	0.5
135.04477	0.6
139.04022	31.3
140.04318	1.4
141.12868	3.5
149.06059	0.5
149.09677	0.4
151.00385	0.4
152.01152	0.6
152.04787	1.5
155.14398	0.6
163.07587	0.6
165.01923	0.6
167.07138	49.2
168.07443	2.5
171.13884	1.6
175.11270	1.1
177.94354	0.4
179.03513	0.5
193.05142	0.7
227.74673	0.4
249.18684	0.7
297.91946	0.4
309.24316	0.4
321.20728	4.1
349.20056	1.2
350.27209	0.7
365.26868	0.8
391.20972	0.7
409.25955	100.0
410.26328	16.4
410.31064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.9117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32644	0.7
56.47065	0.6
59.01384	51.3
59.26656	0.7
60.01709	3.8
61.98835	100.0
64.81214	0.8
69.31008	7.0
78.95899	1.7
87.92542	2.0
98.20107	3.3
98.20697	1.2
103.92033	4.9
104.92853	0.9
117.16923	0.8
123.94691	1.0
130.94394	5.4
143.88065	0.8
145.96751	1.7
147.94708	1.4
152.99594	1.8
165.95769	2.8
188.98599	4.4
189.95755	1.5
189.98839	1.5
193.86095	2.4
207.96783	5.6
212.87946	1.3
230.98128	0.7
232.97533	27.5
233.97816	7.9
234.97685	2.1
235.95007	12.2
235.97502	1.6
236.97308	2.2
268.81281	1.8
269.81458	1.7
270.81369	0.8
279.89789	1.1
282.79498	2.1
283.79956	4.6
284.79849	2.2
285.80362	1.7
303.81549	1.0
309.84756	0.8
310.82327	1.5
311.82684	2.6
312.82608	1.3
321.90634	0.9
322.91611	1.7
325.81036	1.2
327.39355	0.7
332.51611	0.8
333.18863	0.8
350.82111	1.0
352.83685	1.0
353.83768	3.3
363.91830	6.0
367.82318	1.3
371.84952	0.9
409.24304	0.8
410.83884	1.2
411.26080	1.1
432.15793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2236
Annotation	Lyoniol A
Peak:m/z	Relative Intensity
51.71133	0.5
57.03436	1.6
59.01390	4.0
61.98840	5.8
63.04860	0.5
69.03454	3.9
71.01385	0.9
71.05025	7.2
71.38057	1.3
81.03473	2.3
83.01392	1.1
83.05024	2.8
85.02962	2.7
85.93243	0.5
91.52322	0.6
95.01443	0.8
95.05042	1.4
97.02960	3.6
97.06607	1.0
99.04529	6.8
107.05061	1.7
109.02978	4.6
109.06575	1.1
111.04537	8.3
113.02477	3.2
113.06133	0.8
121.06597	1.0
122.97770	0.6
123.04532	8.4
123.08144	0.9
125.02486	5.6
125.06102	3.7
127.04032	18.1
127.07685	0.7
128.04395	1.1
135.00867	0.7
135.04550	1.4
135.08206	0.8
137.02499	1.1
137.06105	1.0
139.04037	0.8
139.11308	0.9
141.12897	1.8
149.02467	0.8
149.06119	2.1
151.04027	13.5
151.07663	1.1
152.04715	2.0
153.01965	0.7
153.05600	6.8
155.03531	2.8
155.14444	1.0
161.06117	0.8
163.04028	1.3
163.07617	0.8
164.04745	0.9
165.05600	5.1
167.03546	2.7
167.07156	2.4
169.05116	5.1
171.13879	0.8
177.01939	2.0
177.05595	2.2
177.09221	1.3
179.03485	1.3
179.07144	2.1
181.05063	0.8
183.13899	1.9
185.15462	1.8
191.03535	0.9
191.07120	0.7
192.04404	0.6
193.05060	10.9
193.08926	0.6
195.06570	1.9
196.03714	0.6
205.05014	3.2
207.06635	1.0
211.06102	1.7
221.08180	2.0
223.06218	0.8
263.16504	2.8
281.17474	1.1
346.58554	0.6
347.18695	2.5
349.20187	4.9
350.20624	0.9
353.19580	1.0
365.23367	0.8
376.05106	0.5
391.21277	7.6
409.22345	100.0
410.22672	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	409.1877
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
51.34198	0.3
55.88884	0.3
57.03452	1.1
59.01385	2.2
61.98840	1.4
62.71390	0.3
63.02406	0.9
66.77584	0.3
69.03456	0.6
71.01409	1.3
71.48710	0.3
71.60983	0.3
71.61436	0.4
73.02961	1.2
79.95766	1.3
81.03474	0.9
83.01400	0.6
83.05091	0.4
85.02963	3.6
93.03472	0.7
95.01405	1.0
95.05042	1.1
96.09448	0.3
96.96018	35.7
97.02954	1.0
98.78948	0.3
99.04535	0.4
109.02961	1.0
109.06605	0.6
111.04543	0.9
119.05011	0.4
121.02975	0.4
123.04588	0.6
124.01674	21.0
125.02538	2.0
135.04527	1.1
137.02480	4.1
139.04022	100.0
140.04353	4.1
149.06038	0.6
151.00418	0.8
151.04005	0.4
152.01125	2.1
153.05595	0.6
159.80850	0.3
160.72060	0.3
162.93039	0.3
163.04004	0.5
164.04794	0.9
165.01939	14.7
166.02603	1.4
167.03426	0.3
167.08778	0.3
169.01482	0.5
169.08806	0.3
178.02762	0.7
179.02042	0.6
179.03517	7.9
180.04016	0.7
181.05096	1.1
193.05057	4.3
194.05421	0.5
201.11316	1.0
214.73688	0.3
217.08699	1.4
219.10275	0.4
221.23392	0.3
233.08200	1.2
234.08871	0.6
247.09569	0.4
249.11343	4.1
261.40280	0.4
270.98953	0.6
298.98477	0.6
299.98831	0.4
314.00546	0.8
317.13873	0.6
329.03003	2.3
329.23383	0.5
334.29169	0.3
335.15024	0.9
335.22467	0.4
347.18555	0.9
365.19882	1.5
381.02402	0.3
409.01886	1.3
409.18655	68.9
410.19012	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	409.1876
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
50.41290	0.4
55.10662	0.5
57.03465	1.5
59.01380	2.8
61.98829	0.9
63.02392	0.7
65.00347	0.8
68.22237	0.4
69.03469	1.3
69.51514	3.7
71.01391	1.2
73.02962	0.9
79.95755	0.6
83.01395	0.9
83.05030	0.7
85.02959	4.0
93.03487	0.5
95.01392	1.1
95.05045	1.7
96.96014	14.6
97.02988	1.3
109.02966	0.8
111.04535	1.3
124.01671	22.6
125.02449	1.7
135.04533	1.8
136.05359	0.5
137.02448	4.2
137.05928	0.6
139.00418	1.2
139.04025	100.0
140.04361	4.9
149.06041	0.5
151.00377	1.5
152.01167	2.7
165.01950	16.1
166.02582	1.9
173.09799	0.8
178.02754	1.2
179.03526	8.9
180.04167	1.0
181.05019	1.0
193.05089	5.4
201.11354	0.7
216.48834	0.4
217.08600	0.8
232.42264	0.5
233.08250	1.8
247.09642	0.7
249.11334	4.8
299.99219	0.6
317.13892	0.9
329.02994	0.7
329.23190	0.9
333.79974	0.5
335.14960	0.9
347.18646	0.8
365.19574	1.3
381.02255	0.6
409.01837	1.5
409.18649	70.5
410.18921	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01385	7.8
61.98822	1.3
70.98020	1.4
71.01398	4.5
71.05039	5.4
72.99311	1.2
73.02948	2.3
74.99097	0.7
75.00882	1.0
77.59269	0.6
85.02974	3.3
87.04470	0.7
89.02464	2.7
93.03474	2.0
95.01373	1.1
96.96007	0.9
97.02967	0.7
98.89290	0.6
99.00867	1.6
99.04502	1.3
101.02462	2.4
103.04006	0.7
106.56004	0.6
107.01414	1.9
111.00883	0.6
113.02518	3.1
113.06126	0.6
117.05590	31.4
119.03519	0.8
121.02965	3.5
122.03762	8.2
123.00889	1.4
123.04546	1.3
124.01579	0.6
125.02451	12.7
126.02783	0.7
127.00373	0.7
129.01901	1.2
133.03009	1.5
133.06572	1.1
135.04555	1.2
136.01614	0.8
136.99147	1.8
137.02444	1.5
142.58334	0.6
145.02977	0.7
149.02446	15.5
150.03235	65.3
151.00374	0.9
151.03658	3.1
159.04585	1.4
161.02414	1.1
161.04617	1.5
161.06093	1.5
162.03171	1.0
163.04027	2.8
164.04810	3.0
165.05577	100.0
166.05942	5.9
168.00638	1.0
169.01437	12.3
175.03983	1.1
177.05550	1.8
180.04289	4.6
187.04037	1.7
189.01936	0.7
190.02740	1.7
191.03517	1.2
193.01416	4.5
195.06633	36.9
196.07021	2.6
201.01967	0.7
203.03552	2.2
205.05069	4.4
213.07703	4.7
217.01378	1.2
218.02180	0.8
219.02986	0.8
221.04500	1.2
231.03017	1.0
235.80975	0.8
237.00467	0.9
246.01601	3.4
247.02431	5.8
249.03995	2.9
275.02127	1.0
285.07700	0.7
301.00000	2.4
301.10825	2.5
302.00208	0.8
313.05847	1.3
321.04315	2.3
331.07010	1.5
337.01999	6.2
361.12863	4.4
409.02164	1.5
409.07779	4.0
409.14090	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	409.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60448	2.4
57.03453	9.2
59.01382	61.2
61.98823	10.1
67.01871	3.3
69.03460	3.8
69.88722	8.0
71.05022	8.7
74.05872	2.0
78.95957	2.9
79.01906	8.1
81.03451	6.0
83.01385	5.9
83.05038	3.4
85.02952	97.3
87.00854	4.7
93.03498	2.6
95.05016	15.1
97.02970	3.5
97.06600	3.9
98.20553	3.1
99.04541	12.0
122.03716	2.9
123.04536	53.0
124.01666	3.9
125.02449	29.0
125.06073	8.2
134.28595	2.5
136.05170	2.9
138.03191	6.3
139.04021	7.3
141.05589	11.9
151.00351	8.2
153.05571	2.7
165.01979	3.2
166.02681	4.5
167.03476	7.7
170.02188	3.6
179.03438	2.8
221.15427	7.3
243.61771	2.3
243.83789	2.7
245.15553	4.4
249.14891	2.2
253.17995	2.1
258.96591	2.2
259.17300	2.7
261.15036	3.7
263.16559	6.5
265.14362	5.1
271.13324	3.0
277.18112	2.8
287.16568	16.4
289.14465	57.0
290.14844	8.8
295.19260	2.6
305.17642	13.2
309.17108	15.6
347.18628	63.0
348.19080	9.2
349.16556	100.0
349.19843	4.4
349.23398	3.7
350.17029	11.8
365.19919	4.1
365.27054	3.6
365.74936	2.4
391.17453	9.6
392.18338	8.2
409.22229	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01385	7.8
61.98822	1.3
70.98020	1.4
71.01398	4.5
71.05039	5.4
72.99311	1.2
73.02948	2.3
74.99097	0.7
75.00882	1.0
77.59269	0.6
85.02974	3.3
87.04470	0.7
89.02464	2.7
93.03474	2.0
95.01373	1.1
96.96007	0.9
97.02967	0.7
98.89290	0.6
99.00867	1.6
99.04502	1.3
101.02462	2.4
103.04006	0.7
106.56004	0.6
107.01414	1.9
111.00883	0.6
113.02518	3.1
113.06126	0.6
117.05590	31.4
119.03519	0.8
121.02965	3.5
122.03762	8.2
123.00889	1.4
123.04546	1.3
124.01579	0.6
125.02451	12.7
126.02783	0.7
127.00373	0.7
129.01901	1.2
133.03009	1.5
133.06572	1.1
135.04555	1.2
136.01614	0.8
136.99147	1.8
137.02444	1.5
142.58334	0.6
145.02977	0.7
149.02446	15.5
150.03235	65.3
151.00374	0.9
151.03658	3.1
159.04585	1.4
161.02414	1.1
161.04617	1.5
161.06093	1.5
162.03171	1.0
163.04027	2.8
164.04810	3.0
165.05577	100.0
166.05942	5.9
168.00638	1.0
169.01437	12.3
175.03983	1.1
177.05550	1.8
180.04289	4.6
187.04037	1.7
189.01936	0.7
190.02740	1.7
191.03517	1.2
193.01416	4.5
195.06633	36.9
196.07021	2.6
201.01967	0.7
203.03552	2.2
205.05069	4.4
213.07703	4.7
217.01378	1.2
218.02180	0.8
219.02986	0.8
221.04500	1.2
231.03017	1.0
235.80975	0.8
237.00467	0.9
246.01601	3.4
247.02431	5.8
249.03995	2.9
275.02127	1.0
285.07700	0.7
301.00000	2.4
301.10825	2.5
302.00208	0.8
313.05847	1.3
321.04315	2.3
331.07010	1.5
337.01999	6.2
361.12863	4.4
409.02164	1.5
409.07779	4.0
409.14090	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	409.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62592	0.3
55.01867	0.6
57.03456	0.4
58.00607	0.5
59.01382	6.3
70.17489	1.1
71.01389	6.3
71.05020	15.0
71.83476	0.3
72.99294	0.8
73.02946	1.1
75.00890	0.6
81.03465	0.4
85.02946	1.7
87.00876	0.6
89.02451	4.9
95.01373	0.5
96.96025	0.5
97.02945	0.3
99.00864	1.0
99.04517	1.3
101.02443	2.3
103.04052	0.4
109.02912	0.4
111.04532	0.3
113.02446	3.7
117.05582	100.0
118.05912	3.1
119.03519	1.9
121.03014	0.4
122.03748	0.7
125.02427	2.0
129.01910	1.0
131.03510	0.4
133.02962	0.4
135.79204	0.3
136.99147	0.3
137.02448	0.5
143.03418	0.4
147.02983	0.5
149.02435	1.2
149.04526	0.6
150.03227	6.0
151.03648	0.4
155.03532	0.6
159.06616	1.4
161.02469	0.5
161.04567	1.2
164.04750	0.3
165.05563	8.3
166.05844	0.5
169.01448	1.1
171.06631	0.5
179.05634	2.4
189.07716	0.8
190.02632	0.7
193.01373	0.4
195.06624	3.0
203.03529	0.4
213.07660	0.4
217.01387	0.5
218.02144	0.7
219.02991	0.4
233.06667	0.3
246.01695	1.5
247.02457	2.9
248.02690	0.3
256.69611	0.3
265.09244	0.3
273.00598	0.3
275.01868	0.6
291.07239	4.2
300.99915	1.2
321.04218	0.4
361.13116	0.7
409.02267	1.0
409.07834	2.8
409.12955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83836	0.9
59.01387	9.6
59.93755	0.9
61.98846	1.0
69.03459	4.6
69.61200	5.9
71.01394	2.6
73.02948	1.0
77.87883	0.9
79.95750	11.0
79.96189	1.0
80.96519	1.9
83.01425	1.4
83.05025	0.8
83.10944	0.8
84.37209	0.9
85.02974	3.6
89.02463	2.9
96.96021	10.5
99.00861	1.0
101.02488	1.3
107.05083	0.9
108.02204	1.7
109.02967	14.3
113.02493	1.7
119.05074	0.9
121.02966	11.3
121.06654	0.8
123.04537	1.1
124.01609	1.0
125.02446	1.1
134.03748	14.5
134.04663	0.9
135.04536	9.6
137.02538	1.0
137.09764	3.2
139.04002	4.7
145.02983	5.3
147.04520	1.7
149.06087	9.4
153.82542	1.1
171.08154	1.3
179.03525	2.7
185.01057	2.1
187.11295	7.9
192.04346	1.4
203.14406	6.2
207.06676	2.2
209.06117	3.4
214.99974	1.0
225.05733	1.2
227.07263	2.9
229.12338	5.1
237.05623	5.2
238.06244	4.0
240.04396	3.6
247.13452	8.5
248.13817	1.0
253.05101	2.0
253.08832	2.0
254.05920	5.1
255.06645	35.3
256.07086	3.4
269.08240	11.0
270.08975	31.6
271.09351	3.6
271.13556	3.3
273.07559	1.0
282.05499	2.4
285.08069	2.0
285.11414	5.3
286.11935	0.8
297.07608	4.6
299.05637	4.0
299.99069	2.0
309.00659	1.0
313.06967	1.7
314.00812	1.1
314.07965	18.1
315.08502	2.4
329.10312	100.0
330.10669	11.8
364.84271	0.9
365.07135	2.4
365.19998	0.9
365.99976	1.1
381.02609	4.8
383.26968	0.9
408.63071	1.5
409.01953	9.6
409.06207	87.3
409.18954	5.5
410.02237	1.2
410.06567	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	408.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56506	0.6
57.44731	0.6
58.04951	0.6
58.19483	0.6
61.98833	100.0
69.76305	3.5
78.95899	0.7
84.50620	0.6
87.43943	0.6
98.20509	1.3
119.40479	0.6
123.04540	1.1
134.70630	0.6
151.04015	1.4
152.99614	0.9
153.05583	1.4
178.02754	0.9
180.04237	1.2
180.85576	0.6
205.05087	1.2
331.19370	1.1
365.24933	1.6
409.23895	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	408.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
69.74255	1.4
69.74654	2.0
75.06978	0.5
95.51205	0.5
96.96022	5.5
117.05568	0.6
123.04498	0.6
135.02983	3.3
143.16508	0.5
158.22020	0.6
211.13391	1.4
242.99388	1.6
270.98846	35.9
271.99271	3.3
285.00482	0.9
287.13184	0.5
289.07224	1.6
295.99265	0.6
298.98331	51.8
299.98727	5.3
312.99854	1.9
314.00696	70.6
315.01038	6.1
324.39661	0.6
329.03040	100.0
329.15915	1.5
330.03375	12.5
337.14886	0.6
338.99612	0.6
398.26663	0.6
408.98599	5.6
409.11743	1.6
409.19241	0.7
409.98969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11617	1.8
59.01369	3.0
61.98835	100.0
70.35448	6.7
71.05019	6.8
81.03460	8.4
85.02938	1.9
87.59239	1.7
109.06625	2.0
114.39294	1.9
123.04517	8.3
125.02461	10.1
127.93340	1.8
345.17053	44.5
346.17371	5.9
348.19031	3.0
365.23376	3.6
409.22202	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	408.203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98520	5.2
61.98840	100.0
64.64735	2.4
65.34963	2.3
68.66967	2.5
70.07108	2.1
70.87029	6.6
73.87120	2.3
86.00799	2.3
88.90111	2.2
126.02095	2.9
126.68978	2.5
133.58798	2.6
156.88583	2.5
161.28606	2.2
211.92456	2.4
241.32985	2.8
268.88986	2.5
403.85062	2.9
409.24042	4.5
432.99356	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	408.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	54.6
69.60828	9.9
72.45293	1.6
73.16628	1.4
74.14270	1.3
78.95910	65.7
81.03465	5.3
83.01369	2.0
96.96980	7.1
96.97515	1.3
114.71139	1.2
122.03715	1.6
125.02462	6.4
125.97703	1.2
133.72104	1.5
135.72275	1.5
139.03986	1.5
150.98030	2.7
152.99599	100.0
171.00647	3.9
255.23206	2.0
322.28186	1.8
345.20737	10.7
346.21140	1.4
364.29504	6.4
394.10449	1.4
408.28394	71.6
409.23645	22.5
409.28821	8.1
414.97623	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	407.281
Annotation	3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
55.01874	1.4
57.03444	3.0
59.01387	2.5
69.03445	0.5
69.78663	1.4
69.79066	0.8
71.05022	1.2
78.95905	1.6
79.01894	3.1
79.82867	0.4
81.03465	0.8
85.02982	0.5
85.06603	5.7
91.05550	0.7
93.03471	0.5
97.02909	2.1
107.05016	1.0
109.06599	7.2
110.06940	0.5
111.03792	0.7
111.04524	8.1
123.04548	0.6
125.02418	0.4
134.78763	0.4
135.04550	3.3
138.03221	0.4
148.05273	0.6
151.03998	1.0
152.99539	0.8
153.05589	37.2
154.05905	2.1
162.06862	0.8
166.27592	0.4
167.07114	0.5
171.00674	0.6
179.03534	2.1
253.21687	0.5
296.27826	0.4
305.24826	0.9
306.25183	0.5
307.26370	1.1
321.27902	1.7
323.18787	0.9
343.77505	0.4
345.27734	1.1
361.27548	0.8
363.29080	5.1
364.29361	0.8
389.19604	0.5
389.26816	0.7
407.27991	100.0
408.22568	1.1
408.28305	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	4.1
59.01382	73.4
61.98829	21.8
70.17306	2.2
71.01398	17.3
71.05017	13.4
71.59934	3.3
72.15429	2.1
72.99303	4.5
73.02945	5.2
73.39884	2.3
75.00868	3.6
85.02950	9.4
85.04353	2.1
87.00897	2.8
89.02449	15.5
93.34780	2.8
95.01406	5.1
96.96002	4.0
99.00896	2.4
101.02433	10.5
111.00871	3.1
111.95663	2.3
113.02445	10.5
117.05584	100.0
119.03496	4.8
121.02993	2.8
122.03727	5.2
123.00868	9.4
123.04515	2.6
125.02461	13.5
132.02174	2.4
133.02971	2.8
136.99091	3.4
139.00389	4.0
141.01888	3.4
145.02969	2.9
147.04434	2.7
149.02448	20.8
150.03224	40.8
151.00371	9.3
161.02435	3.9
161.04535	8.7
163.04008	2.4
164.04716	4.0
165.01981	3.5
165.04242	2.7
165.05571	59.2
168.00690	3.6
169.01422	18.5
175.03983	5.2
177.01903	3.0
177.05544	4.1
179.05568	6.5
189.02061	3.2
190.02673	5.7
191.03455	4.2
193.46097	2.2
195.06599	14.9
195.65875	2.4
203.03503	3.8
213.07712	3.9
218.02164	2.6
219.02780	2.9
229.01151	2.7
236.93967	2.7
246.01555	5.9
247.02489	16.7
255.02792	2.9
257.00949	3.8
265.03595	3.5
275.01956	9.7
286.08200	2.9
291.07007	5.5
300.99954	17.6
301.10794	6.8
345.08267	81.1
346.08545	9.4
349.18814	13.4
361.12939	24.5
364.04404	11.3
408.00812	4.7
408.08014	2.9
409.07913	18.3
409.13037	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	407.2805
Annotation	Hyocholate
Peak:m/z	Relative Intensity
57.03450	1.0
59.01393	1.0
70.11646	1.1
70.12037	1.8
71.05027	3.4
71.51001	0.5
77.25607	0.5
81.03477	0.7
83.05028	1.5
85.02959	1.6
91.09032	0.6
98.08781	0.6
98.20636	0.7
99.04533	3.5
107.05040	1.5
109.02977	3.1
111.04485	1.4
122.03784	0.9
123.04521	1.5
125.06087	1.7
125.68646	0.6
127.04021	6.3
135.00932	0.6
135.04521	0.7
137.02434	1.2
149.02422	0.9
151.04025	4.0
152.04782	1.8
153.05591	2.1
164.04782	1.2
167.03563	0.6
177.01917	1.2
178.02696	1.0
253.25450	1.3
255.23241	1.5
263.23804	1.7
268.75858	0.6
279.23260	4.7
291.26816	0.7
309.28033	0.7
345.27902	1.6
347.25873	6.3
348.26456	2.3
351.25378	5.0
361.27435	6.4
362.27689	0.9
363.29135	2.3
365.26917	2.6
389.26984	25.1
390.27310	4.4
392.25809	3.0
407.28033	100.0
407.59409	0.6
408.28387	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	407.2806
Annotation	Hyocholate
Peak:m/z	Relative Intensity
57.03452	1.3
59.01376	1.7
69.60059	2.5
71.01398	0.5
71.05029	5.6
78.03815	0.5
79.66759	0.5
81.03438	0.9
83.05038	2.8
85.02957	2.7
91.79158	0.4
94.03835	0.5
97.06587	0.9
99.04518	3.5
100.66312	0.4
107.05035	1.8
108.02161	0.7
109.02960	6.4
109.06602	0.5
111.04527	1.6
113.02494	0.7
123.04534	3.2
125.02493	0.6
125.06098	1.8
127.04027	7.8
135.04556	0.5
137.02463	1.2
149.02451	1.4
150.03264	0.7
151.04025	4.3
152.04800	2.0
153.01944	1.0
153.05563	2.1
161.06058	0.5
163.03995	0.6
164.04855	1.1
167.03546	1.3
169.05035	1.2
177.01912	1.5
178.02605	1.1
178.04770	0.4
178.06232	0.9
180.00642	0.5
182.02248	1.0
186.50940	0.5
191.03572	0.9
196.03821	0.5
206.05832	0.5
206.09904	0.4
237.22487	0.6
253.25363	1.9
255.23378	1.1
263.23749	2.2
279.23273	6.1
291.23486	0.5
291.26935	0.8
303.26727	0.5
305.24600	0.6
319.26312	0.9
319.30072	0.6
321.28149	0.8
329.24814	0.9
332.87759	0.5
345.28015	2.4
346.24969	0.7
347.25961	7.6
348.26511	2.1
349.24014	0.9
351.25336	5.8
352.25726	1.2
361.27509	6.8
362.27881	0.9
363.29178	2.6
365.26996	2.1
374.24023	0.5
389.26987	28.9
390.27310	5.1
392.25757	3.3
407.28024	100.0
408.28369	17.6
408.32672	0.4
432.03577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2804
Annotation	3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
57.03458	2.5
59.01378	0.5
61.98521	0.5
61.98837	8.0
65.00320	1.5
69.57171	2.3
73.71707	0.3
81.03468	10.7
83.01402	2.3
83.05042	1.8
90.19510	0.4
95.05008	0.8
97.06578	0.8
98.19870	0.5
102.70800	0.3
107.01388	1.3
109.06576	0.4
121.02972	0.5
122.03741	2.8
125.02462	9.5
126.02802	0.3
136.05310	0.4
139.11267	0.6
141.12894	2.4
146.40973	0.3
148.45676	0.3
151.00366	1.7
155.14423	0.9
162.03186	0.4
165.55493	0.3
168.04341	0.4
249.15109	0.4
281.24881	1.0
295.26328	0.7
306.48276	0.4
319.26389	0.9
321.28000	3.0
323.25732	1.5
345.20810	0.9
345.28009	1.6
346.28702	0.4
361.27795	0.6
363.29074	11.9
364.29413	1.5
389.26669	0.6
407.28036	100.0
408.28378	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2804
Annotation	Hyocholate
Peak:m/z	Relative Intensity
57.03441	1.3
59.01385	1.3
62.71008	0.4
69.96419	2.5
71.05028	4.5
81.03436	1.0
83.05026	1.3
85.02962	2.6
87.67019	0.6
94.31334	0.6
99.04511	3.1
107.05026	1.3
109.02963	5.3
111.04536	1.6
119.13608	0.5
123.04524	1.7
125.02500	0.5
125.06130	2.5
127.04015	7.2
135.00861	0.6
137.02423	1.0
149.02435	1.2
151.04007	4.4
152.04808	2.3
153.02005	0.8
153.05550	1.8
164.04797	1.4
167.03499	1.1
169.05132	0.6
177.01907	1.2
182.02222	0.8
195.02960	0.6
253.25488	1.4
254.25967	0.7
255.23346	1.5
263.23788	2.6
279.23236	5.5
280.23621	0.6
291.26819	0.9
303.27106	0.6
307.26477	0.6
319.26468	1.0
320.99551	0.7
321.27979	1.0
329.25034	0.5
343.26303	0.7
345.27954	2.2
347.25934	6.2
348.26572	1.9
351.25397	5.9
352.25781	1.2
361.27502	7.0
362.27771	1.1
363.29004	2.2
365.26947	1.7
371.25952	0.6
373.23752	0.7
389.27011	24.8
390.27316	5.1
392.25528	2.6
407.28027	100.0
408.22903	1.1
408.28387	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	407.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03448	3.1
58.00589	0.8
59.01384	4.2
61.98842	0.6
65.85899	0.5
69.03477	0.7
70.05293	0.5
71.01367	0.5
71.05022	8.5
71.50022	0.9
73.02943	3.1
79.01904	1.9
81.03474	1.1
83.01400	1.1
83.05025	1.1
85.02962	4.4
87.00890	1.3
93.88655	0.5
95.05034	19.2
96.05407	1.1
96.96006	0.9
97.02960	4.5
97.06587	2.5
107.05118	0.5
109.02960	0.7
109.06627	1.2
111.04493	0.6
113.02443	1.2
121.02965	1.2
121.06669	0.8
123.00867	0.5
123.04539	1.2
123.08161	1.3
124.01653	1.1
125.02444	3.6
135.04599	0.7
135.08192	0.6
137.06053	0.8
137.09727	1.3
139.04021	56.9
140.04337	2.7
141.01921	0.9
149.09760	1.1
151.00320	0.7
151.11284	1.4
165.01961	1.6
166.02730	1.0
167.03418	1.0
167.07195	3.5
180.04265	0.6
186.01993	0.6
191.10748	1.3
193.12395	0.6
205.16064	0.8
233.11841	0.6
251.13048	1.0
279.12491	0.8
289.78281	0.6
295.11902	1.6
319.19141	9.6
320.19351	1.2
347.18732	4.0
365.19577	1.1
389.19769	2.8
407.24423	100.0
408.24710	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2804
Annotation	Hyocholate
Peak:m/z	Relative Intensity
55.01883	0.7
57.03435	2.2
59.01375	2.4
69.03461	1.2
69.67368	4.7
70.17345	0.6
71.05027	5.3
73.02966	0.7
74.85800	0.5
81.03445	2.3
83.01394	1.4
83.05032	6.8
85.02941	5.4
95.01410	0.8
97.02986	1.0
97.06621	1.2
99.04523	12.7
106.29214	0.6
107.05021	1.6
108.02174	1.7
109.02968	6.0
110.03705	1.0
111.00900	0.9
111.04535	2.5
113.02475	1.9
123.04518	3.0
125.02439	1.1
125.06056	1.9
125.76828	0.6
127.04019	21.3
137.02446	2.0
151.03990	4.2
152.04785	3.7
152.38339	0.7
165.05499	0.7
167.03462	5.1
169.05070	2.5
191.03490	1.0
202.41776	0.6
233.04727	0.7
253.25398	1.8
255.23149	1.3
260.67264	0.7
260.70071	0.7
263.23758	2.3
273.23065	0.6
279.23297	14.3
279.26593	1.0
280.23517	1.7
291.23114	1.1
293.28400	1.2
307.22345	0.8
307.26376	0.9
319.26318	1.0
321.27911	3.3
345.24423	0.9
345.28159	1.3
347.22046	1.6
347.25900	11.3
348.26648	5.0
349.23877	1.9
351.25354	5.2
361.27472	3.2
363.29141	4.9
365.26923	5.1
366.27203	1.0
389.27017	4.1
407.28021	100.0
408.28369	17.0
434.37283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
58.00606	0.6
59.01390	2.4
61.98838	1.1
69.03465	0.8
69.46902	2.0
69.47327	1.6
71.05019	7.5
76.84818	0.6
79.01893	1.2
81.03451	0.6
83.01399	0.7
83.49712	0.5
85.02951	2.3
93.03434	0.8
95.05032	11.6
97.02964	4.8
97.06590	1.0
99.08163	11.3
109.02920	0.7
113.09763	0.5
121.02935	1.4
122.03748	1.1
123.04491	1.1
124.01645	1.4
125.02465	1.3
127.07662	1.2
129.09235	9.0
129.38048	0.5
130.09515	0.5
135.04532	0.7
136.05325	0.8
137.02463	0.5
137.06075	0.9
137.09763	1.2
138.03296	0.6
139.04021	51.7
140.04321	2.5
152.01108	0.6
152.75037	0.5
165.01900	2.3
166.02696	1.5
177.12833	1.0
179.10779	0.9
181.05038	0.6
191.14424	3.1
193.05046	1.1
215.20645	0.5
233.15477	7.0
234.15959	0.5
247.20657	0.5
277.14410	3.2
319.19168	5.3
320.19406	0.6
345.98972	0.6
365.19751	0.7
389.19495	0.9
407.24368	100.0
408.24725	15.3
408.29666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2078
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
51.26976	2.3
57.03455	23.7
59.01379	12.9
62.08761	2.0
62.77375	1.9
66.85529	2.2
68.99847	2.1
69.93439	4.3
69.93853	6.3
71.05017	7.5
73.02955	3.5
79.01919	5.6
81.03458	7.0
83.01405	3.2
83.05023	3.0
85.02962	92.9
87.00885	8.8
95.05037	12.9
97.02959	3.9
97.06654	2.1
98.20568	3.0
99.04524	9.0
107.05023	3.7
109.02975	3.4
109.06589	9.2
111.00888	2.9
111.08164	2.6
113.06081	2.6
115.04010	3.5
121.06626	2.3
123.04534	58.2
124.01670	4.2
124.04881	3.5
124.98783	4.3
125.02459	73.9
126.02765	4.9
127.11307	67.8
128.11618	4.8
129.09227	5.0
135.04514	3.4
135.08167	3.1
137.02502	2.5
137.06088	7.2
138.03275	4.6
139.04083	9.7
141.05598	12.8
147.08054	2.7
151.00400	7.3
151.03996	5.1
151.07722	3.3
152.04764	2.7
153.12840	8.1
154.13208	2.3
161.09604	2.3
161.70461	2.1
163.11256	10.1
165.01959	3.6
165.09193	3.6
166.02649	3.2
167.03540	12.8
167.14479	4.8
170.02274	4.0
175.07619	8.5
179.03529	4.3
179.07150	6.0
180.04324	4.8
181.05029	2.4
205.15939	2.5
215.10632	4.4
217.08685	8.2
219.06544	3.9
219.17569	5.8
221.15494	20.6
227.31749	2.0
233.11697	3.6
259.17017	2.5
263.16553	4.7
289.18134	5.1
291.19662	2.4
307.19147	6.0
308.19479	2.5
319.19141	19.9
320.19305	3.1
327.19608	3.7
329.17682	2.7
345.20724	23.1
346.21069	4.1
347.18671	100.0
348.19043	14.7
363.21719	4.3
379.21362	3.3
389.19781	18.7
390.20386	12.3
402.53812	2.1
407.20630	8.4
407.28592	3.8
407.32996	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	407.2075
Annotation	Lasiokaurinol
Peak:m/z	Relative Intensity
53.02356	1.6
55.01882	3.0
57.03457	12.4
59.01375	14.1
61.98836	69.9
62.66827	1.7
67.75932	1.8
69.03458	2.5
71.05027	14.4
73.02938	2.3
76.88271	1.8
78.83096	1.6
79.01906	8.4
81.03472	13.4
83.01402	2.4
83.05042	4.4
84.41756	2.2
85.02444	3.9
85.02956	80.3
87.00871	4.5
95.05030	11.6
97.02952	5.4
98.19816	2.9
99.04518	11.1
99.99200	1.9
109.06609	1.9
111.00844	2.6
113.06078	2.8
114.33123	1.8
123.04528	49.9
124.01672	3.2
124.04900	2.6
125.02451	39.0
127.42074	2.0
135.04510	2.4
137.02434	2.9
137.06097	3.0
138.03227	7.1
139.04031	11.6
141.05595	8.4
147.43945	1.8
148.31917	1.9
149.09723	10.0
151.00378	7.9
151.04022	2.4
152.01143	2.5
152.04817	3.9
165.01906	3.0
165.05597	3.8
166.02756	4.9
167.03468	12.7
170.02206	4.1
173.09677	2.2
175.83934	1.9
178.06380	4.3
179.03531	5.8
180.04179	3.4
182.56485	1.8
184.03844	3.2
189.12840	2.0
191.10796	3.6
203.14339	2.2
213.12897	2.5
215.10614	2.2
231.13985	9.6
258.64590	1.7
263.16705	2.4
273.11392	2.0
273.14957	8.1
275.12811	7.3
281.86218	1.7
307.19278	12.1
308.19873	1.9
319.18985	5.8
327.19501	2.3
345.17032	36.7
345.20764	14.9
346.21191	2.9
347.18640	100.0
348.18970	16.9
361.20044	3.5
363.21680	4.5
371.05423	1.9
389.19647	15.8
390.20413	8.9
407.24512	11.9
407.28497	3.9
408.20807	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2076
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
55.01858	1.2
57.03450	7.2
59.01381	5.5
61.98830	1.2
65.00333	0.7
67.93787	0.6
69.03461	0.9
71.01396	0.7
71.05009	1.0
71.61140	0.7
73.02938	2.5
81.03455	7.1
83.01396	3.6
83.05034	0.8
85.02964	7.2
85.06610	7.0
87.00884	2.7
94.27100	0.7
95.05029	0.7
96.96027	5.7
97.02955	2.3
97.06610	1.2
99.04512	1.1
109.02941	1.1
109.06607	4.4
111.04549	5.1
111.08188	0.9
119.08653	1.4
123.04501	2.4
123.08134	1.2
124.01717	0.9
125.02458	61.6
125.06084	0.9
126.02779	2.4
127.11273	1.8
135.04521	1.2
135.63011	0.7
135.69582	0.6
137.06190	0.8
137.09688	1.8
138.03305	3.2
139.04051	2.0
151.04037	0.9
151.07661	1.5
153.05585	64.9
154.05939	3.9
163.11235	1.1
164.25778	0.7
165.05499	0.7
165.09224	1.3
166.02774	0.8
167.03494	2.2
171.10268	1.2
179.03510	2.8
179.07150	1.3
180.04155	0.7
193.05058	0.9
195.06590	1.1
207.06584	0.7
265.10754	0.8
307.19183	2.4
308.19751	0.8
334.81918	0.8
347.18689	2.5
389.19736	2.5
407.20731	100.0
408.21082	15.8
409.83310	0.8
426.85309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2076
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
57.03451	6.2
58.00587	0.7
59.01378	4.4
61.98832	1.4
64.74960	0.6
69.03453	1.5
71.01383	0.6
71.05035	1.2
71.60737	0.9
71.74111	0.6
73.02950	1.4
79.01878	0.9
81.03468	7.8
83.01386	3.5
83.04991	1.3
85.02956	5.9
85.06605	6.9
87.00883	2.1
93.03469	0.9
95.05022	1.0
96.96017	6.3
97.02956	2.0
97.06609	0.9
99.04513	0.9
109.06583	4.2
111.00896	0.9
111.04538	3.6
111.08189	1.3
117.35439	0.6
121.06607	0.9
123.04538	1.4
124.01635	1.1
125.02458	56.6
125.06089	0.9
126.00420	0.6
126.02780	1.9
127.11346	0.8
132.60339	0.6
135.04550	1.3
136.05240	0.8
137.02454	0.6
137.06125	0.9
137.09708	1.8
138.03223	2.0
139.03987	1.2
151.04030	1.1
151.07693	1.3
152.01215	0.9
153.05588	62.2
154.05960	3.1
165.01884	0.8
166.02681	0.9
167.03479	1.5
171.10237	1.7
179.03500	2.2
179.07175	1.6
180.04254	1.0
191.10797	0.8
193.05164	1.0
195.06633	1.8
207.06575	1.2
224.91307	0.7
255.06209	0.6
261.64865	0.7
277.11234	0.6
281.10144	0.7
307.19183	2.0
347.18680	2.4
389.19644	2.0
407.20761	100.0
408.21048	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	407.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.9
59.01384	27.3
65.00304	1.1
69.56570	2.5
69.57001	2.8
75.39640	0.7
81.03463	10.9
83.01386	2.2
83.05038	1.0
85.02946	3.4
93.90302	0.7
96.38380	0.7
96.47904	0.6
96.96014	1.4
96.96960	1.5
97.02911	0.8
105.07089	0.8
105.65527	0.7
107.01416	0.8
110.48105	0.7
111.04565	0.8
122.03699	1.1
123.04518	3.1
125.02449	18.6
126.02734	1.0
139.03973	1.5
151.00430	1.5
153.05547	2.7
166.02750	1.1
167.03473	2.1
171.10323	0.9
201.12820	1.6
216.40948	0.8
218.61125	0.8
219.13965	1.9
225.12869	0.9
231.14091	0.9
243.13889	19.5
244.14299	1.8
261.14914	3.1
263.12772	1.3
283.59836	0.7
287.12888	22.6
288.13168	2.2
303.16037	10.7
304.16476	1.2
305.13959	6.4
321.16946	1.1
323.14920	1.1
347.14996	39.5
348.15363	5.7
363.17950	3.1
363.25320	1.7
365.16055	6.8
366.16370	1.4
375.17892	1.0
389.19507	0.9
407.17020	100.0
408.17368	14.3
408.22516	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67826	1.0
55.01886	6.1
57.03440	4.8
58.00583	3.1
59.01382	39.9
59.58451	0.9
61.98823	2.9
69.03453	2.3
71.01389	60.1
71.61414	1.4
72.01698	1.2
72.99306	3.6
73.02948	31.7
74.03278	1.1
74.40809	1.0
74.99076	1.5
75.00862	3.9
83.01397	14.4
83.36726	1.0
85.02956	36.7
86.03297	1.7
87.00860	3.8
89.02435	14.5
95.01382	3.1
96.85851	1.1
96.95992	2.9
97.02940	2.6
99.00887	14.2
101.02450	67.3
102.02765	2.0
103.37066	1.0
111.00858	3.0
113.02459	20.2
115.04031	2.1
115.07685	1.1
117.05602	1.4
119.03539	1.4
122.58767	1.1
125.02459	5.8
129.01924	2.6
131.03505	3.9
131.07121	1.7
143.03526	3.7
149.04570	3.1
159.02960	4.4
161.04573	21.4
211.33533	1.0
213.81221	1.1
217.63750	1.0
233.06664	4.6
274.18372	1.2
275.15005	100.0
276.15402	11.8
293.08865	1.3
307.18387	1.0
314.63287	1.2
407.07880	3.3
407.19235	91.2
408.19678	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	407.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.1
61.98833	1.3
69.41565	10.7
70.30725	1.7
71.01392	3.0
72.11562	1.4
74.99105	3.1
82.02983	11.0
96.96021	5.2
101.02447	2.5
104.77528	1.6
109.02919	1.8
110.35415	1.5
136.99174	1.7
137.02515	2.0
146.06139	2.0
152.01183	3.4
160.07681	4.0
162.04314	2.3
162.05573	2.8
164.03548	7.0
165.01930	5.8
166.02776	2.3
167.03464	4.3
171.10367	1.9
174.05574	1.8
176.78130	1.6
179.03513	11.6
179.07108	1.7
180.04259	1.5
181.05058	1.8
188.07219	3.2
189.06627	1.8
191.04604	2.2
195.06604	3.0
202.08784	3.3
204.05270	1.5
214.04958	2.3
215.04515	2.2
216.05365	7.0
216.06964	3.4
216.10222	2.1
217.02560	4.7
217.06194	9.1
218.96161	1.4
228.06754	2.2
229.06042	12.0
230.03273	2.6
230.06943	5.4
231.07706	11.6
232.08533	4.2
241.06218	3.7
242.03293	3.4
243.04031	19.5
243.06569	1.8
243.07683	2.7
244.04866	15.4
244.09805	13.9
245.09424	6.8
248.09161	2.8
256.04831	7.2
257.05710	19.3
258.06073	8.3
259.07242	46.8
259.10809	8.8
260.07355	2.5
269.09357	3.7
270.07571	2.6
271.07245	21.7
272.07770	3.5
273.07721	15.6
274.01212	2.6
275.01947	4.4
285.08789	6.8
287.10394	80.2
288.08456	4.4
288.10760	6.2
291.09808	11.8
313.08319	100.0
314.08682	12.2
329.10434	3.0
331.09396	53.5
332.09763	5.2
345.10980	8.4
359.14941	4.9
370.30225	1.6
375.08328	20.3
376.08853	2.5
389.09756	3.7
392.14771	1.7
407.06519	4.4
407.10959	62.3
407.17175	16.6
408.11292	7.3
408.17587	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	406.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01387	3.3
61.98811	0.9
70.59335	0.7
70.59660	1.1
70.73370	0.5
71.01346	1.7
73.02934	0.6
78.93277	0.8
79.95749	2.8
79.96106	0.7
84.19713	0.6
85.02906	1.6
96.96021	12.3
101.02448	0.8
109.02948	0.6
110.02842	0.5
113.02456	0.6
120.99625	0.6
124.01595	0.6
125.02389	1.6
132.02165	1.3
139.03952	2.2
153.05469	0.6
156.02217	2.5
160.01588	1.5
169.01372	0.7
171.10226	0.8
172.01634	0.9
176.01172	0.7
183.00204	0.7
184.01697	3.6
188.01202	0.7
200.01147	4.8
202.42403	0.5
212.01158	2.7
216.00754	0.7
228.00610	3.3
240.00645	11.2
241.01021	1.1
245.11591	0.6
254.99318	1.1
255.03049	0.9
256.00073	2.0
282.98813	1.4
283.99652	8.4
311.99139	85.3
312.99451	11.4
327.01483	100.0
328.01849	11.7
399.22775	0.6
406.19620	1.0
406.96823	4.7
407.08133	1.7
407.17438	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	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.0
61.98852	2.7
65.99880	2.0
69.44568	2.7
69.44971	6.5
71.01395	4.7
73.02970	1.7
73.99670	1.2
74.99124	4.2
79.18185	1.1
82.02991	11.5
83.01415	1.6
83.05045	1.6
84.71628	1.3
85.02968	3.1
87.00891	2.7
89.02476	3.6
96.96027	5.3
101.02474	3.9
109.02351	1.9
109.02956	9.6
113.02499	2.0
117.05610	3.5
125.02477	2.0
127.04037	3.0
135.98473	1.4
137.02507	1.3
143.03537	1.2
149.04716	1.3
152.01166	2.4
153.01938	7.1
160.07813	2.2
162.04391	2.7
162.05627	1.3
164.03616	7.6
165.01895	1.6
179.03566	5.2
179.07288	1.7
181.05235	1.6
186.05666	1.7
188.07248	5.1
189.03134	1.8
191.04741	3.6
202.05330	1.6
202.08905	4.1
204.05556	1.4
215.04538	2.8
215.08269	1.8
216.05296	4.0
216.06905	4.4
216.10220	2.6
217.02623	6.1
217.06128	9.8
218.06934	4.8
221.85072	1.2
226.08838	1.7
227.08347	1.3
228.06761	3.1
229.06027	9.4
230.03377	4.4
230.07042	3.4
231.07684	14.3
231.09665	1.2
232.08562	4.4
241.06198	4.3
242.03456	3.6
242.08334	1.7
243.04187	22.4
243.07835	3.1
244.04927	14.8
244.09837	10.2
245.05099	1.5
245.09540	5.5
246.06422	1.8
248.09267	2.5
254.07053	1.9
255.03133	1.6
256.05014	6.4
257.05713	19.9
257.09290	1.7
258.06516	7.3
259.07263	44.3
259.10907	6.6
260.07510	3.1
262.45468	1.6
269.09457	4.6
271.07285	23.2
271.10092	2.0
272.07861	2.6
273.07867	3.7
285.08905	4.4
287.10400	75.8
288.08740	4.4
288.11499	6.0
291.09738	9.5
303.09982	1.6
313.08307	100.0
314.08658	10.0
319.13138	2.1
326.35025	1.4
331.09363	59.7
332.09702	5.9
335.08878	3.0
345.10934	8.7
375.08350	22.6
376.08984	3.9
389.10068	4.9
407.11087	66.2
407.17545	8.4
407.26324	1.9
408.11453	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	406.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33722	1.5
61.98836	100.0
74.16872	1.9
78.95905	3.3
81.03461	7.3
85.98476	1.5
95.05020	2.3
105.40194	2.0
125.02474	3.8
133.21106	1.7
152.99582	5.1
171.00644	3.4
186.13513	1.8
336.11908	1.9
343.19174	22.4
362.27621	3.5
397.90964	1.9
405.26294	4.8
406.26822	47.0
407.27505	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	406.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31568	3.5
58.61271	3.9
61.17908	3.8
61.98524	5.5
61.98832	100.0
69.55895	12.9
69.56319	16.8
90.49207	3.7
98.20640	7.9
116.59663	4.2
164.23761	3.6
172.39134	3.7
174.66354	4.4
178.88397	3.5
186.52019	4.3
236.04425	4.0
245.93779	4.8
406.26877	11.9
407.27832	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	406.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45057	0.7
54.49192	0.8
61.44731	0.7
61.98832	100.0
81.03440	1.3
82.29621	0.8
96.51476	0.8
125.02493	1.0
127.03992	1.2
247.56947	0.9
343.22522	1.0
406.26828	5.8
407.27972	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	405.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00198	0.5
57.03446	1.4
59.01384	2.0
64.54263	0.5
71.05025	4.7
74.78423	0.5
80.82747	0.5
81.03436	1.1
83.01398	0.8
83.05027	2.3
85.02927	2.6
95.05046	0.8
97.06611	1.2
99.04544	4.0
107.05037	2.5
109.02962	5.1
111.04515	1.7
113.02402	1.0
122.03793	1.1
123.04538	2.4
125.02409	0.6
125.06079	2.0
127.04015	6.5
135.00870	0.7
136.05225	0.6
137.02440	0.9
138.03268	0.5
141.05589	0.7
149.02402	1.2
150.03207	0.8
151.04022	4.3
152.04799	2.0
153.01988	0.7
153.05571	2.2
154.02699	0.9
163.04099	1.0
163.34555	0.6
164.04797	1.3
165.05630	0.8
167.03511	1.3
169.05084	0.6
173.06120	0.5
177.01959	2.0
178.02747	2.0
178.79507	0.5
179.03372	0.5
180.00639	0.6
182.02159	0.6
190.10092	0.5
191.07118	0.6
205.05075	0.7
253.21773	1.7
277.21808	3.8
278.22061	0.7
317.24829	0.9
319.26254	0.8
343.26431	1.4
345.24301	7.1
346.24933	2.1
349.23877	5.8
350.24130	0.9
359.25928	6.8
361.27512	1.9
362.27805	0.8
363.25354	2.1
387.25443	26.4
388.25781	3.8
390.24246	3.0
405.26468	100.0
406.26810	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	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.4
70.35561	0.7
81.03462	1.5
83.01393	7.1
84.01730	0.3
86.18341	0.3
88.02298	0.3
107.01427	0.4
107.85471	0.2
121.02950	0.4
123.04512	0.8
124.31523	0.2
125.02455	100.0
125.74826	0.2
126.02807	3.1
139.19516	0.2
140.03146	0.2
149.02472	0.7
151.00372	0.5
164.98445	0.2
167.03442	1.1
279.23294	3.8
280.23532	0.3
378.11948	0.3
405.26434	5.9
405.31964	0.4
405.34262	0.3
406.27045	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	405.3012
Annotation	Irisoquin
Peak:m/z	Relative Intensity
55.01875	1.0
57.03435	0.7
62.29978	0.4
64.10215	0.5
71.47843	0.5
79.01900	1.9
80.02660	0.6
87.04513	1.4
97.02940	0.6
99.08161	3.2
107.05015	0.6
121.06612	0.7
123.08176	9.8
135.04527	0.7
149.06108	1.3
152.04796	0.8
158.82823	0.4
162.13654	0.4
163.07574	0.6
167.05800	0.7
167.07153	9.8
168.07550	0.8
175.64532	0.5
180.04224	0.4
193.04993	0.9
207.06726	0.5
231.33560	0.4
255.23346	0.6
265.53278	0.4
279.23264	2.6
284.03268	0.4
291.26971	4.9
292.27325	1.0
353.24985	0.4
361.31119	30.2
362.31552	4.4
405.30109	100.0
406.30432	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	406.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	43.1
69.87122	7.2
69.87543	5.4
75.86366	2.0
81.03458	10.6
98.55164	1.9
125.02446	6.4
141.12738	2.4
156.81122	2.1
168.95804	2.3
207.89879	2.2
345.27567	2.9
363.29077	10.3
395.38379	2.2
406.26733	8.5
407.28021	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	405.2646
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03452	15.1
59.01368	0.5
61.98837	0.3
65.00330	15.8
66.00655	0.5
69.59721	1.1
69.60143	0.9
81.03461	2.5
83.01398	7.2
85.02967	0.5
98.19719	0.3
113.09728	0.8
122.03743	0.7
123.04558	1.6
124.01675	0.5
125.02454	100.0
126.02793	3.9
139.04047	2.0
165.12808	0.3
181.15973	1.9
205.15997	3.2
206.16228	0.3
247.17023	10.8
248.17497	1.0
256.27887	0.3
266.14243	0.3
345.21017	0.3
361.27554	1.2
363.25580	1.0
388.18335	0.3
405.26584	41.6
406.26901	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	405.2646
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03454	2.5
59.01367	0.6
65.00334	2.1
70.92921	0.5
80.02676	0.7
81.03461	13.5
82.03792	0.5
83.01390	2.3
83.99096	0.4
86.00870	0.4
95.16623	0.4
107.01359	1.0
113.09704	1.2
121.03004	0.4
122.03741	8.9
123.04507	0.8
124.01665	1.0
125.02457	11.1
151.00385	2.2
152.01105	0.5
162.03288	0.8
165.12877	0.7
177.45403	0.4
179.03554	0.6
181.15973	1.1
185.85562	0.4
203.14342	0.4
205.15996	5.2
207.13898	2.9
218.67018	0.4
219.17567	2.7
229.15968	0.8
247.17030	20.3
248.17387	1.6
273.15076	0.6
291.16046	3.2
303.69580	0.4
310.76822	0.4
319.26190	0.5
321.24268	0.7
361.27264	0.6
387.25406	0.6
405.26462	100.0
406.26813	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	405.2647
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.01880	0.5
57.03445	2.9
59.01369	1.8
61.98835	13.7
64.85494	0.4
65.03962	0.7
68.99821	0.6
69.03466	0.8
69.70466	3.1
71.05018	3.6
79.01917	0.9
81.03462	2.0
83.01413	1.2
83.05033	3.3
85.02975	3.6
85.06602	3.1
95.05041	0.8
97.02980	1.6
97.06605	2.0
97.56449	0.5
99.04522	6.8
107.05048	1.1
109.02972	3.9
109.06592	8.7
111.00892	1.0
111.04522	3.8
111.08153	2.2
113.02474	1.3
123.04527	1.6
125.02478	2.4
125.06084	0.7
127.04028	14.7
127.88972	0.5
128.04295	0.6
135.04546	1.2
137.02496	1.0
141.79362	0.5
150.02348	0.7
151.04050	3.1
152.04785	1.5
153.05588	16.5
154.05927	0.8
165.12823	0.8
167.03477	3.7
169.05081	1.2
177.09302	0.7
179.03497	1.0
249.11118	0.5
253.21820	1.0
277.21765	5.9
284.25311	0.5
303.23395	0.8
305.24713	1.2
306.25290	0.5
319.26398	1.6
345.24399	6.2
346.25217	2.8
347.22287	1.2
349.23807	2.6
359.25845	1.2
361.23575	0.8
361.27490	6.7
362.27985	0.6
363.25436	2.1
387.25702	2.4
388.25815	0.5
405.26498	100.0
406.26804	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2647
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
57.03452	1.9
61.98840	0.5
62.55311	0.4
65.00321	0.9
70.93033	0.8
70.93392	0.4
80.02648	0.4
81.03466	11.7
83.01390	1.6
83.05029	1.7
85.06599	0.4
95.05030	1.0
95.86012	0.3
97.06562	0.7
107.01368	1.2
109.06573	0.5
111.04424	0.4
122.03735	2.0
123.04585	0.4
125.02457	10.0
125.09745	0.5
129.64760	0.4
135.04559	0.5
136.05313	0.4
149.06081	0.5
151.00352	1.7
151.11301	0.4
153.05539	1.0
153.12828	1.1
166.02661	0.6
169.12320	0.5
177.09224	0.4
179.03592	0.4
235.13377	1.6
279.23163	0.5
301.25510	0.5
319.26456	2.1
321.24359	0.9
343.26251	1.8
361.27499	7.9
362.27908	0.9
405.26471	100.0
406.26813	17.4
406.32248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2283
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
54.62799	0.8
57.03445	3.3
59.01371	4.0
63.02386	2.5
65.00329	3.3
67.01872	1.0
69.03452	1.6
71.05038	1.3
71.60398	1.1
78.95921	1.3
81.03442	1.6
83.01393	1.7
83.05031	1.3
85.02959	7.2
91.53043	0.8
95.01408	3.7
95.05027	3.6
96.96042	0.9
97.02969	3.0
97.06574	1.5
98.78104	0.8
99.04507	0.9
100.51783	0.8
105.11336	0.8
107.01437	1.3
111.04436	1.0
113.02460	1.4
121.02987	1.0
123.00928	1.5
123.04549	1.6
124.01672	43.1
125.02486	11.7
126.02814	2.1
127.04062	0.9
135.04529	1.8
137.02441	1.3
138.03232	1.3
139.04018	97.9
140.04323	4.4
149.06088	1.1
151.00346	2.6
152.01170	14.4
161.09717	1.3
162.96916	0.9
165.01888	3.8
165.05762	1.0
166.02721	4.6
167.03487	1.6
167.10866	1.0
177.09230	1.4
179.03525	9.2
193.05069	1.4
207.06560	1.1
209.11778	2.2
221.08224	2.5
222.08759	1.3
238.65865	0.8
245.15419	0.9
277.10886	5.0
317.17618	7.8
327.15991	1.1
333.13541	1.7
344.19324	1.0
345.16971	2.0
361.27548	1.2
387.17932	1.4
405.22870	100.0
406.23224	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.5
59.01385	0.7
61.98824	1.6
65.00319	1.2
69.67345	0.9
69.67756	1.9
81.03465	10.6
83.01379	1.5
83.05025	0.8
107.01425	0.5
109.06577	0.7
112.53393	0.4
122.03780	3.3
123.04541	0.9
124.01597	0.4
125.02457	9.2
135.04509	0.9
141.12851	2.1
151.00365	1.8
153.05594	1.0
155.14429	1.2
177.12869	0.6
191.92377	0.5
219.13908	1.4
266.01056	0.5
266.96967	0.5
274.74762	0.5
277.25290	0.5
319.26334	1.0
321.24161	0.6
343.26505	4.5
344.26715	0.6
361.27573	5.2
361.31567	0.6
362.27850	1.1
387.25598	0.9
405.26450	100.0
406.26822	16.4
406.32333	0.7
420.25244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62799	0.8
57.03445	3.3
59.01371	4.0
63.02386	2.5
65.00329	3.3
67.01872	1.0
69.03452	1.6
71.05038	1.3
71.60398	1.1
78.95921	1.3
81.03442	1.6
83.01393	1.7
83.05031	1.3
85.02959	7.2
91.53043	0.8
95.01408	3.7
95.05027	3.6
96.96042	0.9
97.02969	3.0
97.06574	1.5
98.78104	0.8
99.04507	0.9
100.51783	0.8
105.11336	0.8
107.01437	1.3
111.04436	1.0
113.02460	1.4
121.02987	1.0
123.00928	1.5
123.04549	1.6
124.01672	43.1
125.02486	11.7
126.02814	2.1
127.04062	0.9
135.04529	1.8
137.02441	1.3
138.03232	1.3
139.04018	97.9
140.04323	4.4
149.06088	1.1
151.00346	2.6
152.01170	14.4
161.09717	1.3
162.96916	0.9
165.01888	3.8
165.05762	1.0
166.02721	4.6
167.03487	1.6
167.10866	1.0
177.09230	1.4
179.03525	9.2
193.05069	1.4
207.06560	1.1
209.11778	2.2
221.08224	2.5
222.08759	1.3
238.65865	0.8
245.15419	0.9
277.10886	5.0
317.17618	7.8
327.15991	1.1
333.13541	1.7
344.19324	1.0
345.16971	2.0
361.27548	1.2
387.17932	1.4
405.22870	100.0
406.23224	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.1
58.00586	0.5
59.01390	0.6
61.98798	0.4
69.50124	3.0
71.05025	8.0
73.02972	0.5
77.03983	0.5
79.01907	1.9
81.03461	0.5
81.14803	0.4
83.01408	0.4
85.02959	3.7
87.00866	0.7
87.04521	9.5
88.04845	0.4
90.31535	0.4
93.03465	0.4
95.05033	12.2
96.05379	0.5
97.02970	5.1
97.06595	0.9
98.20551	0.8
109.02956	0.5
109.06615	0.5
113.02444	0.4
115.27039	0.4
121.02956	1.7
121.10262	0.5
122.03770	0.8
123.08186	0.7
125.02425	0.5
135.04506	0.7
137.06068	0.6
138.03262	0.5
139.04025	49.6
140.04332	2.5
162.88663	0.3
163.07619	0.4
165.01942	1.3
166.02689	1.3
167.07138	1.6
177.12828	0.6
193.05086	1.1
198.01572	0.4
199.53290	0.4
219.14084	0.4
231.17532	0.9
240.62120	0.4
258.16232	0.6
273.18628	5.2
275.12881	0.6
302.87100	0.4
317.14108	0.2
317.17554	7.6
318.17957	0.9
319.22839	0.7
343.19070	0.5
345.17117	0.9
387.17764	0.9
405.22836	100.0
406.23190	18.2
406.27582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04995	0.8
57.03445	2.4
59.01373	2.4
61.98846	0.9
63.02404	1.3
65.00322	2.3
68.26884	0.6
69.03436	1.1
69.42998	3.2
69.43424	2.4
71.29208	0.6
75.33688	0.6
77.23352	0.6
81.03439	1.6
83.05066	0.7
85.02955	5.2
87.00888	1.0
87.04528	2.4
95.01405	2.8
95.05025	1.5
97.02959	2.6
98.19900	1.7
107.81979	0.6
109.02931	0.8
110.48429	0.7
111.00915	0.7
111.04524	1.5
113.02434	0.7
123.00912	1.5
123.04530	1.4
124.01667	35.0
125.02501	6.9
127.04035	2.0
135.04527	1.3
137.02505	1.2
138.03233	0.7
139.04021	98.4
140.04372	4.4
151.00418	3.4
151.03976	1.4
152.01161	14.7
165.01958	5.0
166.02704	5.4
167.03500	2.2
179.03497	7.7
193.01456	1.9
193.05072	1.6
207.06589	1.0
233.15469	1.7
257.15503	1.0
260.66528	0.6
261.11398	1.4
265.10837	0.8
273.11346	0.8
288.13382	0.8
295.11847	1.2
301.14481	3.9
317.13992	0.6
317.17584	15.1
318.18106	2.1
331.15640	1.3
373.20618	1.0
387.18063	2.2
405.22855	100.0
406.23172	14.8
428.79559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03452	5.2
58.00586	0.9
59.01390	1.1
61.98838	0.5
71.05030	6.8
73.02930	0.6
75.38039	0.3
79.01900	1.6
81.03456	0.4
83.01422	0.5
84.44882	0.3
85.02963	3.1
86.04434	0.3
87.00845	0.6
87.04524	9.8
90.37444	0.4
94.76340	0.4
95.05038	11.9
96.05345	0.6
97.02966	4.1
97.06614	0.8
109.06616	0.4
113.02452	0.8
121.02960	1.7
122.03763	0.6
135.04564	0.8
136.05298	0.6
137.06111	0.8
138.03239	0.4
139.04025	50.5
140.04369	2.5
165.01926	1.4
166.02690	1.7
167.07126	2.1
175.11273	0.4
177.12743	0.4
180.04361	0.5
193.05028	1.2
219.13896	0.5
231.17514	1.3
273.18649	4.8
274.19180	0.4
299.16547	0.4
302.21756	0.3
317.17618	6.9
318.17944	1.5
345.17072	0.6
361.24350	0.4
387.17856	0.9
405.22852	100.0
406.23160	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.66771	0.6
55.01879	1.9
57.03450	16.7
58.00593	4.0
58.02982	0.6
59.01382	100.0
60.01722	1.7
61.98832	7.1
70.04206	2.9
71.01386	70.6
71.05030	1.3
72.01723	1.8
72.99313	6.5
73.02956	2.4
74.02460	0.9
74.99106	0.8
75.00890	1.4
79.95721	0.9
83.01393	2.4
83.05020	1.7
85.02962	13.1
87.00883	5.3
87.05666	0.7
89.02450	94.7
90.02789	2.0
93.60098	0.5
95.01404	4.2
96.96007	1.3
99.05666	0.9
101.02448	36.4
102.02772	1.0
112.05279	2.9
113.02458	27.8
114.02789	0.9
117.05555	0.9
119.03506	33.1
119.04904	1.3
120.99638	1.8
125.02429	1.7
128.03578	3.3
129.03905	1.0
131.03500	2.7
134.07385	3.5
136.99146	1.3
137.09714	2.0
139.11288	0.8
143.03479	5.9
143.04614	3.7
144.04948	1.3
149.04549	2.3
149.09724	39.1
150.10048	2.4
155.07079	1.0
161.02448	0.7
161.04565	5.8
163.03986	1.1
167.10780	77.5
168.11136	5.0
179.05635	11.0
207.13864	2.0
224.69817	0.6
225.14935	6.6
226.15234	0.8
229.01401	0.9
241.00067	0.8
243.02946	0.8
243.16008	4.6
245.00922	0.7
249.06155	0.7
255.07886	1.0
272.08768	1.0
273.08926	1.1
285.12289	0.6
287.10236	0.9
295.64731	0.8
299.10043	0.8
300.99982	5.0
306.07440	2.2
306.98669	0.7
307.08078	3.6
308.07639	1.0
329.11246	0.8
343.09610	1.1
344.98669	1.0
390.12360	0.8
405.04446	1.4
405.14075	1.9
405.21344	8.0
406.15369	0.6
406.21597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01888	1.0
57.03454	15.6
58.00597	4.9
58.02987	0.7
59.01383	100.0
59.98525	0.6
60.01714	1.5
61.98835	6.1
63.09055	0.6
66.00056	0.6
69.58459	4.5
71.01387	73.8
71.05038	0.9
72.01721	1.3
72.99314	4.8
73.02947	2.0
74.02485	1.4
74.99107	1.0
75.00875	1.1
83.01395	2.3
83.05031	1.2
84.78302	0.5
85.02959	13.7
86.03226	0.6
87.00878	4.3
89.02450	95.5
90.02774	1.9
95.01400	4.5
96.96017	1.7
99.00894	0.7
99.04518	0.6
99.05661	0.9
100.05997	0.6
101.02449	34.4
102.02813	0.8
103.04021	0.8
111.43266	0.6
112.05308	2.6
113.02459	30.3
114.02762	1.3
117.03510	0.7
117.05623	0.8
118.94947	0.6
119.03511	37.6
119.04913	1.4
120.99646	1.7
123.46536	0.6
125.02422	2.2
125.09754	1.0
128.03566	3.3
129.03934	0.7
131.03503	4.0
134.07399	4.4
136.99127	1.0
137.09700	1.9
139.00320	0.9
139.11269	0.9
141.05585	0.6
143.03473	7.5
143.04605	3.7
146.04565	0.8
149.04536	3.3
149.09729	42.1
150.10078	3.2
153.06718	0.7
155.07098	1.4
160.00685	1.5
161.04581	7.3
163.03955	1.2
167.10783	77.0
168.11124	5.5
169.01366	0.6
179.05663	13.1
183.10222	0.8
207.13843	2.3
225.14960	7.7
226.15245	1.1
229.01244	1.1
243.15973	3.6
249.06119	0.9
254.07591	0.8
255.08055	0.8
272.08575	0.6
273.08954	1.4
289.06766	0.9
299.98697	1.5
300.99878	4.1
306.07397	2.0
307.07910	4.2
308.07346	1.1
311.10211	0.6
329.11276	0.9
333.89536	0.7
343.10031	1.0
344.98648	1.9
349.28168	0.6
359.11304	0.9
383.26138	0.7
388.03928	0.6
405.04330	1.2
405.13531	2.6
405.21329	10.5
406.21198	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	405.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.9
59.01384	11.2
67.01877	3.3
69.03442	2.9
69.61950	14.0
71.05025	61.4
72.58543	2.3
73.02959	3.0
79.01903	6.9
81.03460	7.5
83.01382	3.4
83.05031	6.7
85.02956	94.1
87.00864	7.6
95.01408	3.8
95.05017	16.0
97.02964	5.4
97.06590	2.7
98.19937	5.1
99.04526	10.8
102.42649	2.2
109.06602	4.7
111.04524	3.2
113.02415	3.9
115.03962	3.4
121.02970	2.8
121.06526	2.9
123.03735	3.4
123.04540	54.9
124.01661	24.6
125.01626	3.8
125.02463	50.2
127.03937	2.3
135.04512	2.5
135.08154	3.5
137.02454	5.7
137.06018	3.1
138.03233	7.9
139.04024	68.7
140.04445	2.1
141.01930	3.6
141.05577	7.8
147.04477	2.5
151.00334	7.5
151.04045	3.1
151.07597	2.4
152.01207	13.2
152.04803	5.3
165.01849	6.8
165.05602	5.8
166.02690	8.1
167.03575	14.3
167.04836	3.3
170.02228	3.0
177.70325	2.2
178.06360	7.6
179.03444	9.3
184.03789	4.9
186.92116	2.7
191.10873	2.6
193.05040	2.3
215.10721	3.1
261.14972	3.6
301.17984	5.6
305.17508	14.1
312.03577	2.3
317.17532	34.6
318.17712	5.4
331.15527	4.4
343.19199	37.2
344.19476	5.8
345.17081	100.0
346.17337	14.4
359.14902	7.7
359.76782	2.3
387.17883	15.7
388.18704	9.3
405.22961	72.2
405.27792	4.9
406.23166	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	405.192
Annotation	Argentine
Peak:m/z	Relative Intensity
57.03457	3.5
59.01376	0.9
65.00335	0.8
67.01917	0.6
69.03465	3.9
79.01918	0.5
81.03457	7.0
83.01394	1.7
83.05025	1.3
84.02157	0.7
85.06599	1.5
93.03470	0.5
95.01387	7.3
95.05028	1.2
96.96009	0.9
97.02953	4.1
107.01417	0.8
107.05032	0.8
109.06578	2.1
111.00879	1.0
111.04529	1.2
117.45828	0.5
122.03737	1.5
123.00896	3.7
123.04553	1.1
124.01663	5.6
125.02448	26.4
126.02795	1.3
135.04518	1.0
137.02429	0.6
137.09605	0.6
139.00397	0.9
139.03922	0.5
149.06088	0.5
151.00369	4.0
151.07642	0.6
152.01152	8.5
153.05595	11.2
154.05878	0.8
163.07632	0.4
165.01985	0.8
165.77872	0.5
166.02705	5.5
167.03275	0.6
177.12842	1.2
179.03499	10.7
180.04153	2.5
181.04988	0.5
193.05074	2.5
194.05737	0.9
195.06609	0.6
207.06613	3.2
208.07306	1.6
211.09805	0.6
212.03252	0.9
219.13924	4.2
220.33571	0.5
220.39352	0.6
221.08252	1.2
229.77766	0.6
231.13881	0.5
247.09650	0.8
261.11282	1.0
262.12076	1.4
263.12857	2.7
267.27344	0.4
275.12885	0.9
304.13434	0.5
364.72183	0.5
387.18161	1.6
405.19159	100.0
406.19479	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99074	1.1
57.03447	1.3
59.01380	50.7
60.72194	0.9
68.93530	0.7
69.27042	0.8
69.27225	3.5
69.27645	5.6
71.01375	5.6
73.02940	3.3
75.00878	1.6
79.74852	1.0
82.37152	1.0
83.01376	1.0
85.02964	1.8
85.86909	0.9
87.77837	0.9
89.02436	3.2
96.96012	4.3
99.00872	0.9
99.04484	1.2
101.02445	5.3
103.03976	1.6
113.02410	1.5
113.03516	1.4
125.02444	1.0
131.04633	3.0
131.20644	1.5
132.21930	0.8
139.10190	1.1
139.11293	23.3
140.11696	1.1
149.04698	1.1
161.04489	0.9
165.09138	0.9
166.02718	1.3
181.12332	12.8
183.10262	26.7
184.10565	1.7
199.13358	4.7
200.13617	0.9
225.11284	12.6
243.12364	100.0
244.12772	8.4
257.13892	1.4
285.13464	30.7
286.13797	2.4
295.08066	0.9
312.06323	1.2
315.14462	5.1
345.15558	29.2
345.19864	1.9
346.15878	2.0
357.13422	2.9
402.95880	1.0
405.12653	1.9
405.17569	12.9
406.17587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93254	3.2
59.01376	7.6
68.11365	4.3
71.05025	5.5
77.54330	3.2
83.01379	3.6
83.05021	7.7
85.02961	4.9
95.01432	4.4
99.04528	6.4
109.02973	6.8
111.00887	3.9
113.02485	3.5
124.01669	13.1
127.03990	21.2
137.02457	5.3
138.03244	3.5
139.04008	10.3
152.01170	13.2
165.01945	21.2
166.02710	4.1
167.03500	6.1
174.00632	3.5
174.47238	3.5
179.03394	8.5
187.57867	3.4
193.05136	5.1
207.06638	3.5
277.21722	8.0
303.23203	5.7
305.24719	4.8
319.26321	4.0
345.24573	10.3
361.27411	5.5
369.16498	5.7
369.20764	82.1
370.20950	12.0
377.44681	3.7
405.26413	100.0
406.26663	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	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.8
60.43359	1.2
61.98831	1.7
69.27142	3.2
69.27537	14.6
71.01369	2.4
93.03455	4.3
96.96022	2.7
101.02432	2.1
102.98602	3.8
121.02950	7.9
122.03744	12.6
125.02456	1.6
149.02449	51.1
149.03601	3.4
150.03233	90.4
151.03667	5.0
161.02467	5.7
164.04837	7.3
165.05580	100.0
166.05907	8.1
176.04790	3.1
179.03494	9.9
180.04170	7.7
183.10219	1.9
190.14853	1.4
191.07095	2.0
194.05820	13.3
195.06631	56.6
196.06996	3.0
199.07608	1.6
209.08182	18.5
284.40558	1.5
342.10977	3.3
355.90317	1.4
357.13425	27.5
358.13904	3.1
373.09592	1.4
405.02805	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03046	1.1
57.03445	5.3
58.00586	1.5
59.01385	100.0
60.01711	1.5
69.70693	7.0
69.71095	2.5
71.01388	20.4
72.99326	2.1
73.02943	4.3
75.00842	1.6
79.95731	1.3
81.07096	4.7
83.01407	2.4
83.05036	1.5
85.02985	7.1
87.00877	2.8
89.02456	14.9
95.01410	2.0
96.96022	4.7
97.02953	1.8
99.00864	1.9
101.02447	12.1
106.16669	1.2
109.02917	1.4
112.45042	1.2
113.02460	11.5
119.03526	6.6
119.05052	2.2
120.99609	1.9
121.10235	3.4
123.00891	1.8
123.04444	1.3
124.01625	2.7
125.02460	2.0
125.09669	1.5
127.07638	1.6
131.03529	1.7
137.02357	1.6
139.04016	3.1
139.11230	2.6
143.10805	1.3
151.00383	6.0
153.09186	2.6
161.02382	1.8
161.04590	7.8
163.03969	1.5
165.09250	1.4
166.02719	10.5
167.03252	1.4
173.02444	2.2
175.04013	2.2
179.05579	3.4
181.05081	11.4
183.10271	49.8
184.10600	4.3
189.09160	2.6
191.07095	1.5
193.05051	2.4
197.11790	2.4
207.10178	6.7
225.11267	4.6
243.03090	1.3
243.12457	1.2
269.04581	4.0
281.09326	3.0
293.09174	1.9
297.04047	5.6
297.07370	1.6
311.10370	10.2
312.06506	6.1
327.05182	1.9
327.08789	13.1
328.09238	2.6
329.11325	3.2
342.11124	6.8
357.13409	21.4
358.13873	3.7
375.14526	4.7
376.15012	1.4
405.02927	1.2
405.16644	2.1
405.21146	5.5
405.25052	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.7
59.01383	51.8
61.98828	2.0
63.99054	0.8
69.41139	6.7
71.01389	6.3
73.02961	3.5
85.02944	1.7
89.02462	2.4
96.96025	1.5
99.00865	0.9
99.04521	1.1
101.02438	4.9
113.02466	1.4
119.68047	0.8
135.68437	0.9
139.11298	23.8
165.01886	1.4
181.12346	11.2
182.12698	1.2
183.10268	27.4
184.10687	1.9
195.06596	2.1
199.13399	6.7
225.11278	10.4
243.12376	100.0
244.12680	8.2
257.13916	1.9
273.17090	1.1
285.13437	31.0
286.13773	2.8
295.04251	0.9
311.10388	2.1
315.14389	3.0
329.11218	1.2
345.15561	31.4
346.15851	3.3
357.13745	1.1
379.70218	0.9
405.17676	11.2
405.25345	1.4
406.17935	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	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01390	7.3
59.22152	1.1
69.03461	56.3
71.01387	4.7
71.61935	1.7
73.02907	1.7
75.00873	1.7
79.01891	17.4
81.03461	3.3
85.02959	4.9
89.02457	1.1
95.01400	7.3
95.67362	1.2
96.96030	4.1
97.02954	37.1
101.02446	3.7
107.01391	52.9
107.05032	1.6
108.02236	9.7
109.02961	13.0
113.02482	1.8
117.05582	1.1
121.02984	6.9
123.00900	16.0
123.04509	1.2
125.02457	68.3
126.02797	2.6
133.02919	2.1
134.03741	1.7
135.00879	2.5
135.04550	3.4
136.01686	6.0
137.02480	8.2
149.02417	3.5
150.03113	1.3
151.00378	72.1
152.00995	4.9
153.01949	26.5
154.02295	1.6
163.03993	7.1
168.00644	1.4
169.01277	2.0
177.01939	9.6
191.03375	1.3
197.06053	5.0
197.11832	3.4
207.03053	1.4
213.05617	1.3
219.02789	1.5
242.05852	100.0
242.94695	1.2
243.06584	53.8
243.16087	1.2
243.57085	1.3
244.06989	5.9
274.90219	1.5
285.04831	1.1
285.07697	6.3
297.06067	17.3
298.06351	1.3
379.22003	1.4
405.11945	33.6
405.19736	2.7
406.12311	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66010	1.0
55.01871	1.0
57.03452	1.3
57.30729	1.0
58.87097	1.0
59.01382	21.9
60.36946	1.0
62.38068	1.1
62.40464	1.1
69.49599	6.5
69.50010	2.1
71.01379	4.5
74.24477	1.2
74.99107	2.1
79.95764	1.3
84.52498	1.2
85.02966	3.5
89.02445	3.0
91.01898	2.1
96.96019	2.5
101.02438	3.5
103.04005	1.6
108.02193	1.1
109.02927	1.4
113.02462	2.4
120.99644	4.7
123.00909	7.3
129.01897	1.3
135.00891	5.6
138.03268	5.3
141.28798	1.1
143.03551	1.7
143.04611	2.9
153.01918	6.1
157.05055	1.7
161.04591	1.7
170.80721	1.1
181.04955	1.2
183.10263	7.3
195.06833	1.6
198.05608	2.9
200.54451	1.0
205.80319	1.2
206.10518	1.0
210.05606	1.9
210.09238	1.5
211.06958	1.2
213.14857	1.6
226.05110	4.8
227.05905	2.8
228.05316	6.5
228.06766	6.0
228.10168	1.4
237.06522	1.2
239.06046	1.4
240.05267	2.7
240.10345	1.4
243.03072	1.0
243.07846	5.7
245.28987	1.1
250.07863	1.2
255.06076	1.6
256.06195	6.2
256.09702	3.2
257.06818	4.2
258.06433	11.4
259.06613	1.4
265.09583	3.1
267.07742	8.6
267.11441	1.6
273.08884	19.6
274.09042	1.7
281.09262	2.6
283.10840	8.7
285.09958	2.1
285.12674	1.4
286.10715	8.4
293.09158	1.6
293.84186	1.1
295.07138	6.0
296.08051	7.9
299.10379	8.3
300.10574	1.8
301.08978	1.1
301.12006	7.5
307.06042	2.7
311.10379	12.7
329.11426	100.0
330.11783	11.8
361.08899	1.8
373.10385	3.1
405.04651	2.1
405.13934	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52504	1.5
55.01865	1.9
58.00590	5.4
59.01387	60.8
61.98845	19.8
67.74445	2.0
69.30902	16.4
71.01394	48.2
72.99313	4.0
73.02944	3.8
74.83347	1.5
74.99100	2.5
75.17965	1.7
79.95747	4.0
83.01402	3.0
84.89622	2.2
85.02966	8.4
87.00887	9.6
89.02457	62.3
95.01401	4.0
96.96021	24.0
98.19827	3.8
101.02467	29.4
109.02958	4.1
111.00879	2.2
113.02472	21.6
119.03573	24.1
119.05039	100.0
120.05367	6.4
121.02989	2.7
123.00903	6.3
123.04587	3.0
125.02441	8.1
131.03424	2.7
137.02432	4.1
139.00392	2.3
140.01135	2.2
143.03442	3.9
149.02469	19.1
151.00381	4.1
151.04001	2.3
161.02435	2.0
161.04561	7.0
163.04025	64.5
164.01207	2.1
164.04320	5.0
165.01926	12.7
168.00597	3.2
169.01492	9.2
169.02701	2.0
177.01938	79.5
178.02391	4.0
179.03519	16.0
179.05608	7.4
180.04294	12.3
191.03474	2.4
192.04298	34.2
193.01454	4.5
193.04735	3.9
194.05838	8.2
195.02966	5.9
195.06647	33.9
207.06631	8.3
210.05322	6.5
215.07068	2.2
217.01456	2.0
225.07703	21.2
226.07649	1.9
241.00253	59.9
242.00504	3.8
245.00964	2.1
254.56239	2.0
275.02121	2.1
301.07181	4.0
327.05185	2.1
345.06165	3.9
357.11789	2.1
387.13052	7.3
405.04724	13.9
405.10406	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
59.01381	6.5
61.98821	3.2
67.01884	1.0
69.03426	0.4
71.01383	9.2
71.23606	0.5
72.99305	0.8
73.02943	1.7
79.01891	1.2
79.95752	1.5
81.07751	0.4
83.01392	1.3
85.02961	2.7
87.00863	1.8
89.02452	3.1
91.04013	1.1
95.01383	2.2
96.95436	0.8
96.96008	8.3
96.96905	0.5
97.02956	0.6
98.19844	1.4
99.00900	1.5
101.02452	7.3
107.01381	4.9
111.00871	2.3
113.02447	3.6
119.05030	36.2
120.05359	1.5
122.99979	0.9
123.00890	17.8
124.01714	1.1
125.01521	0.8
125.02443	17.2
126.02736	0.6
127.00403	0.9
135.04588	0.5
136.98813	0.8
137.02483	0.9
138.97154	0.6
139.00380	5.9
140.01167	2.7
141.01982	2.5
151.00383	14.5
152.00705	0.5
153.01901	2.0
161.04520	1.2
163.04012	20.0
163.05399	0.9
164.01147	0.6
164.04375	1.3
165.01897	2.4
166.96440	0.6
168.00677	3.5
169.01431	24.8
170.01706	1.3
177.01894	0.7
179.03484	3.6
180.04259	1.7
181.04916	0.7
193.01465	0.5
194.05942	0.8
195.06602	5.3
203.03520	0.6
211.02475	1.2
225.07721	0.5
231.03128	0.4
241.00246	19.3
242.00479	0.9
253.03593	1.1
271.04593	1.0
275.01907	1.2
275.21588	0.5
300.99731	0.6
313.05624	4.1
325.64841	0.5
351.32657	0.5
369.87622	0.5
405.05643	3.9
405.10333	100.0
406.10635	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	405.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.2
57.19423	0.7
59.01385	4.6
61.98844	1.8
64.06085	0.7
65.45947	0.6
69.03461	0.9
71.05024	5.7
75.77667	0.6
79.01890	1.4
79.95741	27.4
81.03442	1.5
83.05025	2.2
84.12063	0.6
85.02957	13.9
85.06617	1.5
87.00875	2.6
92.12108	0.7
93.03479	1.3
95.05032	6.0
96.05379	1.1
96.96072	1.3
97.02953	4.1
102.55517	0.7
103.73770	0.8
108.02186	1.5
109.02952	1.7
109.06584	1.3
111.04526	1.3
113.02454	3.0
113.76767	0.8
121.02961	2.6
122.03794	0.9
123.04522	3.9
124.01711	1.1
125.02496	4.2
127.04013	1.1
134.03748	21.4
135.04485	2.2
136.05333	0.8
137.56921	0.7
138.03242	0.8
139.04021	21.1
140.04355	2.9
141.01938	2.5
141.04517	1.3
145.02942	5.4
147.04544	1.9
149.06082	35.8
150.06491	2.2
151.00362	1.0
152.01186	0.8
153.05586	8.0
159.04523	1.0
163.07729	0.8
165.01936	1.6
166.02730	1.1
167.03302	0.7
173.06114	1.2
174.06883	1.1
179.03433	1.2
179.10735	1.5
182.26118	0.9
191.14426	1.1
193.04977	0.9
203.14484	1.1
233.15436	3.1
245.15500	1.8
249.09195	2.0
254.05867	1.4
265.05032	1.0
266.05994	1.1
267.10284	1.5
277.08664	5.9
277.14474	1.1
278.09402	2.9
280.07327	3.2
292.11206	1.2
294.08966	5.2
295.09747	34.5
296.10092	4.9
309.11273	10.3
310.12122	55.8
311.12503	6.8
317.17590	29.8
318.17795	3.9
325.14450	68.1
326.14819	9.6
345.17126	4.5
387.17856	6.7
388.18237	1.0
404.21524	1.3
405.10162	100.0
405.22690	59.8
406.10468	15.6
406.23264	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	404.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16742	0.8
57.03446	3.7
59.01377	3.2
61.98833	46.0
69.09849	0.8
69.86839	4.5
71.05013	4.2
71.92325	0.9
72.05347	1.2
78.24164	0.8
79.01881	1.3
81.03454	6.5
83.01394	1.1
83.05039	4.3
84.05389	1.7
85.02940	4.4
86.03259	1.2
95.05018	1.4
97.02943	1.0
97.06615	2.1
99.04520	8.1
100.04855	2.4
109.02934	3.0
109.06577	1.0
110.03259	1.9
111.04529	2.8
113.02496	2.1
122.03719	1.6
123.04533	2.1
123.08222	0.9
124.01640	1.4
125.02474	5.9
125.06059	1.1
127.03999	12.0
128.04323	4.3
137.02505	1.4
139.04007	4.1
149.23160	0.9
151.03990	2.7
152.04689	1.8
153.05582	5.7
167.03490	3.6
168.03839	1.3
169.04990	1.4
202.40450	1.0
252.20543	1.1
275.20142	3.2
276.20551	3.0
303.23135	1.1
318.25342	2.1
332.19272	1.0
341.17572	5.9
344.23093	8.6
345.23679	2.5
346.21158	1.0
348.22769	5.1
358.24701	1.6
360.22330	1.3
360.26215	5.1
361.27527	3.3
362.24234	4.9
386.24091	1.8
404.25217	100.0
405.26373	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85963	0.8
57.03444	0.9
59.01370	0.8
61.98834	100.0
69.41776	4.1
69.42190	1.6
75.33637	0.8
76.01444	0.7
81.03473	1.8
100.47507	0.8
108.78378	0.7
111.00909	0.9
111.04524	0.8
122.61864	0.8
125.02467	1.1
153.05589	2.2
251.65460	0.7
302.22125	1.6
341.21329	1.0
360.26245	1.1
395.39795	0.8
404.25201	16.5
405.26566	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	404.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29062	4.2
60.77852	4.5
61.98838	100.0
71.26406	4.3
71.30334	5.1
81.03503	4.7
83.78949	4.6
83.80352	4.4
111.90826	4.3
131.87074	4.7
153.05602	24.6
169.59230	4.6
182.59007	5.1
194.00986	4.3
212.07127	4.3
228.72433	4.6
345.49939	4.8
404.25293	32.0
405.26483	79.9
428.20572	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	404.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64730	2.5
61.98834	100.0
69.83817	13.0
98.20439	3.8
116.89885	2.3
139.17909	2.6
139.60733	2.6
149.30774	2.2
210.82936	2.4
331.75131	2.3
404.25168	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	403.2855
Annotation	Bungeiquinone
Peak:m/z	Relative Intensity
56.90416	0.2
61.17446	0.2
61.46838	0.2
61.98822	0.7
63.02403	0.4
65.00322	2.1
69.03458	0.4
69.57031	1.7
71.04990	0.3
81.03448	0.7
83.01402	0.3
83.03188	0.2
89.00333	0.4
91.01901	0.5
93.03451	0.5
95.01385	4.7
95.05039	0.3
96.02198	0.3
97.02966	1.0
107.05006	0.3
109.02969	0.3
111.00889	0.5
111.04514	0.8
121.02956	1.0
123.00900	3.2
124.01669	25.2
125.02389	1.4
129.30400	0.2
135.04514	0.8
137.02446	1.7
138.03268	1.5
139.00380	0.3
139.04018	10.7
140.04355	0.6
149.06151	0.3
149.99586	0.7
151.00380	3.4
151.03967	0.5
152.01160	25.7
152.45850	0.3
153.01457	1.2
163.07642	0.2
164.01120	0.3
165.01939	5.1
166.02713	8.3
167.03043	0.3
179.03508	12.3
180.04089	0.8
183.02954	0.3
184.00116	0.3
191.10803	0.9
193.05081	2.4
198.01678	0.6
205.12389	0.3
207.06679	1.1
208.07327	0.4
219.13940	0.3
221.08218	1.9
222.08846	0.3
235.09732	3.9
236.10275	0.6
245.15497	1.0
249.11218	0.4
259.17120	0.7
260.17398	0.3
263.12866	0.7
281.64310	0.2
289.14438	3.2
290.15042	0.7
303.16061	4.2
304.16489	0.8
317.17606	1.4
327.27118	0.8
331.19199	1.0
343.22647	0.4
345.20569	0.7
359.22372	0.7
359.29550	0.6
371.25958	0.3
385.23752	0.5
387.25421	0.6
403.28558	100.0
404.28906	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	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70305	0.3
61.98833	100.0
63.58378	0.3
71.00816	0.5
71.01429	0.4
72.99338	0.3
78.95904	0.7
79.95740	0.4
80.96510	0.5
87.00880	0.4
96.96011	5.9
96.96982	0.8
101.02487	0.4
107.78283	0.3
111.00920	0.3
117.28832	0.3
119.05032	24.0
120.99712	0.3
125.02518	0.6
151.85861	0.3
163.04016	14.6
179.55518	0.3
211.41357	0.3
241.00250	12.5
261.94711	0.3
340.53577	0.4
404.12842	1.0
405.04901	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	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.07961	0.4
79.96817	0.4
87.20642	0.4
123.93758	0.4
130.03157	0.5
137.74092	0.4
145.52097	0.4
147.81200	0.4
151.21167	0.4
157.74544	0.4
159.28262	0.4
166.30272	0.4
313.36798	0.4
423.59903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	12.8
59.01384	7.7
61.98832	2.8
69.57020	5.8
69.57430	2.3
71.01365	2.6
72.00903	2.6
74.02480	21.1
76.10877	1.2
82.02972	2.5
84.04578	1.6
85.02974	1.5
86.02492	8.4
86.99086	1.9
87.05635	6.8
89.02444	1.7
90.00201	3.0
97.04065	2.4
97.19561	1.2
98.19844	1.7
99.05016	1.5
99.05643	21.1
101.02434	2.8
101.07217	2.9
102.05603	2.0
109.04063	3.7
109.07699	1.6
111.00956	1.6
111.05627	1.8
112.04050	1.9
113.03584	1.3
120.76057	1.2
123.00072	1.1
123.00890	5.2
123.05618	1.7
124.01153	1.9
124.04070	2.3
125.02426	6.1
125.03499	2.4
126.01893	1.2
126.02814	2.8
127.05154	4.1
127.15698	1.2
128.03552	51.8
129.03934	1.6
134.46307	1.2
135.05634	6.2
139.00357	2.2
140.00984	2.0
141.01926	1.1
141.06691	5.5
143.04630	81.1
144.05011	1.5
145.06178	3.3
146.04562	7.2
151.00336	3.5
152.00679	1.5
153.06706	6.0
155.08269	1.2
160.00755	21.2
161.01170	1.5
166.09856	3.7
167.04631	5.4
167.08182	3.1
169.01431	5.8
170.01750	4.4
170.03096	1.3
177.03450	6.5
179.04649	13.9
181.06252	3.5
185.05829	2.8
197.05635	2.3
198.08774	1.6
201.78354	1.2
210.08849	13.5
211.09087	1.3
242.07895	2.4
254.07791	23.9
255.08099	1.9
272.08893	36.1
273.09134	1.9
288.06580	11.8
306.07660	100.0
307.08121	6.3
335.04700	1.2
404.04663	1.8
404.12781	45.2
405.12967	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	403.2493
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
56.35086	0.7
57.03445	1.9
59.01369	1.8
60.36771	0.5
66.14122	0.5
67.01886	0.7
71.05027	5.2
71.48046	0.9
79.72105	0.6
81.03443	1.1
83.01405	0.8
83.05035	2.4
83.86214	0.5
85.02962	3.8
85.80875	0.5
86.03300	0.5
87.49709	0.6
88.21507	0.7
89.63287	0.5
97.06569	1.2
98.72349	0.6
99.04514	4.4
100.27834	0.5
100.75452	0.7
107.05024	2.2
109.02963	7.0
109.06572	0.9
111.04540	2.1
123.04530	2.4
124.22195	0.6
125.02409	1.0
125.06076	2.4
127.04046	6.1
135.00824	0.7
136.05278	0.8
149.02432	1.0
150.03191	0.6
151.04034	4.9
152.04770	1.9
153.05620	3.2
164.04823	1.5
165.05516	0.7
166.80792	0.6
167.03534	1.1
169.05081	0.8
175.07657	0.7
177.01872	1.1
178.02710	2.5
182.02234	0.8
191.03432	0.7
233.13936	0.7
251.20126	1.6
275.20084	2.9
315.23337	0.8
324.33011	0.6
341.24918	1.6
343.22845	7.7
344.23511	2.3
347.22342	7.3
348.22565	1.0
357.24362	7.6
358.24814	1.5
359.25897	2.0
361.23941	2.8
385.23892	30.4
386.24185	6.0
388.22583	2.2
389.22983	0.7
403.24921	100.0
404.25287	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	403.2854
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
59.01371	0.4
60.53799	0.3
69.74735	0.6
69.75138	1.4
71.05025	3.8
79.01893	1.9
83.01408	0.3
88.69007	0.3
93.03457	0.6
94.11246	0.3
95.05032	11.6
96.05334	0.7
97.02959	1.7
98.20635	0.3
101.36501	0.3
121.02982	1.6
122.03754	0.5
131.64819	0.3
135.04491	0.8
136.05298	0.8
138.03157	0.5
139.04022	12.8
140.04388	0.6
165.01961	1.8
166.02661	0.5
176.04738	0.4
190.67581	0.3
193.05081	0.4
303.26999	1.4
305.24875	4.2
306.25140	0.6
317.28500	1.2
341.28720	0.3
359.29578	28.6
360.29932	4.9
385.27567	1.1
403.28552	100.0
404.28894	16.8
409.45010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08039	0.2
54.81229	0.2
57.03452	9.0
65.00327	0.4
69.53165	0.9
69.53574	0.6
81.03461	2.1
83.01391	9.8
86.56287	0.2
95.04987	0.2
98.20665	0.4
105.03493	0.2
107.01402	0.7
108.64690	0.2
121.02948	0.5
123.04545	1.4
125.02452	100.0
126.02789	3.3
149.02423	1.4
151.00403	0.6
167.03500	2.0
267.96817	0.2
277.21732	4.9
278.22165	0.6
403.24838	6.6
404.25378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77249	0.6
57.03443	1.9
59.01374	1.8
69.52160	1.6
69.52595	3.2
71.05026	5.5
83.05036	1.7
83.15913	0.7
85.02961	3.7
85.03384	0.6
97.02921	0.7
97.06624	1.2
99.04532	4.5
107.05038	2.5
108.02165	0.7
109.02962	5.6
109.06605	0.7
111.04510	2.4
113.02483	0.7
122.68070	0.7
123.04532	2.7
125.06096	2.1
127.04051	7.5
136.05331	0.6
137.02429	1.0
138.03311	0.7
149.02406	1.5
150.03148	0.7
151.04044	4.0
152.04765	2.0
153.02025	0.6
153.05551	1.8
161.06137	1.0
164.04794	2.0
167.03508	1.4
168.35934	0.6
177.01898	1.7
177.05537	1.0
178.02654	1.9
178.06386	0.8
179.03461	0.7
180.00793	0.7
182.02193	0.8
191.07115	0.9
205.05099	1.3
233.19164	0.8
251.20274	1.4
275.20142	2.6
289.34555	0.7
315.23160	0.8
317.25009	1.2
341.24701	1.8
343.22858	6.4
344.23413	2.8
347.22299	5.7
348.22580	1.2
357.24326	7.5
358.24854	1.2
359.26013	1.7
361.23917	2.3
385.23898	28.3
385.28897	1.3
386.24042	4.6
388.22650	2.5
403.24908	100.0
404.25275	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	403.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03461	2.0
61.50077	0.4
69.99243	1.9
71.05020	0.8
79.01905	2.7
79.57775	0.6
85.06595	5.4
91.05527	1.0
93.03427	0.4
97.02969	2.3
107.05040	0.6
109.06603	7.2
110.06920	0.5
111.04527	7.5
135.04550	2.9
136.05275	1.0
151.03986	1.1
153.05594	35.6
154.05942	1.6
160.08078	0.4
160.15897	0.5
161.61626	0.4
162.06898	0.4
169.61929	0.4
178.30267	0.5
179.03526	2.2
180.04294	1.9
184.33896	0.5
194.05844	0.9
207.06700	0.8
231.17557	0.7
245.19110	0.9
272.17868	1.0
286.18820	0.5
287.20169	5.0
289.14520	0.7
300.34659	0.5
320.05167	0.5
331.19189	2.4
332.19598	0.9
359.26025	0.9
369.66272	0.4
385.23788	0.7
403.24918	100.0
404.25284	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	403.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28711	0.3
57.03445	2.6
59.01393	0.7
65.00327	1.4
66.95315	0.3
69.96270	0.7
69.96676	1.4
71.05009	0.7
81.03465	10.7
82.03814	0.4
83.01397	1.9
83.05024	0.5
98.19928	0.4
107.01400	0.6
109.02966	0.4
122.03756	5.6
123.00868	0.5
123.04512	0.6
124.01675	0.7
125.02458	11.4
135.04556	0.8
151.00404	1.3
152.01213	0.4
162.03261	0.5
166.02701	0.8
173.24889	0.4
179.03534	0.9
184.20317	0.4
191.42006	0.4
205.16048	0.4
245.15523	0.4
245.19096	1.7
247.17140	0.6
269.19025	0.4
287.20187	12.1
288.20605	2.0
289.14618	0.4
313.18195	0.5
319.23108	0.5
331.19171	2.9
332.19693	0.6
341.24902	0.5
349.64063	0.4
359.25900	1.0
385.23654	0.4
403.24908	100.0
404.25272	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	403.249
Annotation	plakortolide S
Peak:m/z	Relative Intensity
56.46654	0.2
57.03453	15.1
58.03776	0.4
59.01381	0.4
61.98822	0.3
65.00333	16.4
66.00665	0.3
69.19196	0.2
71.05039	0.3
71.60724	0.3
78.42485	0.2
81.03450	3.0
83.01396	7.9
84.01736	0.3
95.05052	0.3
97.06572	0.2
122.03757	0.9
123.04531	0.9
125.02455	100.0
126.02787	3.8
126.07915	0.3
135.04558	0.6
139.04018	0.8
139.52612	0.3
153.05626	0.3
176.37697	0.3
183.42972	0.2
199.00098	0.2
221.19083	0.8
232.37245	0.2
245.19173	0.9
287.20190	7.4
288.20490	0.8
341.25058	0.4
359.25986	1.9
360.26279	0.5
361.23788	0.9
403.24954	39.1
404.25317	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	403.2129
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
51.73154	0.6
57.03450	1.3
59.01378	0.9
63.02395	1.4
65.00321	2.3
69.03451	0.8
69.49003	4.0
71.05034	1.2
81.03481	1.8
83.01384	1.3
83.05042	0.9
85.02975	1.6
89.00368	0.7
93.03402	0.8
95.01414	3.3
95.05029	2.3
97.02957	2.3
97.06589	0.9
99.04510	0.6
107.01398	1.0
109.02950	0.8
121.02992	0.5
123.00914	2.8
124.01674	34.6
125.02505	6.9
125.06155	0.7
127.04013	1.0
135.04526	1.5
137.02454	5.3
137.80804	0.7
138.03236	1.2
139.00383	1.3
139.04024	78.4
140.04366	4.0
149.06065	1.0
151.00385	5.0
151.04027	1.2
152.01167	23.2
153.01541	0.8
163.07643	1.0
165.01947	22.9
166.02728	8.9
167.03354	0.8
167.07239	0.8
177.01930	0.6
177.05623	1.3
178.02603	0.8
179.03500	12.7
180.04210	1.8
181.05045	2.6
193.05054	6.0
207.06653	2.4
219.06491	0.9
221.08163	1.5
231.52710	0.7
233.08191	1.3
247.09885	0.9
261.11261	1.0
273.11340	1.1
299.13129	1.3
301.14325	1.4
313.14404	3.5
314.15085	1.1
315.16083	5.1
316.16275	0.7
325.14340	1.2
327.15927	2.0
329.17575	21.5
330.17926	3.0
339.16034	0.6
341.17603	5.0
343.15524	2.2
359.18784	4.2
360.18958	0.9
367.19147	2.0
371.18793	1.0
385.20261	31.9
386.20541	5.5
403.21295	100.0
404.21646	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	403.2127
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
50.82681	0.8
57.03447	1.5
59.01396	1.0
63.02407	1.4
65.00315	3.4
69.58440	3.5
69.58849	2.9
70.70332	0.9
71.05015	1.4
81.03475	1.8
83.01412	1.1
85.02952	1.0
86.46373	0.9
95.01385	3.3
95.05055	1.3
96.27538	0.9
97.02927	1.8
106.32856	1.0
115.33861	1.0
120.69748	1.0
123.00888	1.5
124.01665	41.7
125.02521	7.2
127.69884	0.9
135.04543	1.7
137.02440	5.8
137.06013	1.1
138.03223	1.2
139.04022	89.9
140.04405	4.7
149.06094	1.0
149.55385	1.0
150.32127	0.9
151.00362	4.1
152.01151	24.3
165.01947	28.4
166.02745	11.3
167.03453	1.6
177.05566	1.0
179.03517	12.7
180.04269	1.0
181.05009	2.1
191.07111	1.0
193.05078	6.9
207.06624	2.5
221.08177	1.5
233.08202	1.5
259.84433	1.0
273.11337	1.2
275.12759	1.2
287.13208	0.9
299.12823	1.2
301.14642	1.2
313.14551	4.1
315.15936	1.6
325.14618	1.1
327.16061	4.2
329.17606	28.9
330.17914	4.3
341.17676	3.8
343.15451	1.7
359.18585	3.4
367.19113	2.2
385.20221	49.9
386.20508	9.2
403.21274	100.0
404.21637	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2128
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
51.73699	0.4
55.01875	0.7
57.03452	2.5
59.01381	0.5
66.55215	0.4
69.03465	0.5
71.05029	7.4
73.02949	1.9
73.53452	0.4
79.01918	2.2
82.15634	0.4
83.01385	0.5
83.05021	0.5
85.02956	0.8
93.40644	0.4
95.05040	12.3
96.05390	0.6
97.02953	4.3
97.06615	2.6
98.20745	0.8
107.05061	0.5
109.02956	0.4
109.06609	0.8
121.03012	1.1
121.06570	0.5
122.03735	0.8
124.01653	1.0
125.02462	1.0
125.06113	0.6
135.04494	0.5
137.02423	0.5
137.06082	1.8
137.09743	0.4
138.03246	1.2
139.04027	50.8
140.04385	2.7
152.01093	0.8
165.01932	4.3
166.02737	4.8
167.07149	0.5
179.03511	1.3
179.10721	0.6
180.04291	3.9
181.05040	0.7
193.05083	3.0
194.05786	0.6
198.18680	0.4
201.12941	0.5
207.06642	0.7
229.56996	0.5
233.15361	0.6
275.12970	0.5
285.18613	3.2
286.18988	0.8
289.14221	0.8
315.16071	2.0
329.17578	3.1
359.18445	0.8
367.18701	0.5
385.20456	4.1
386.20633	0.7
403.21280	100.0
404.21631	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	403.2128
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
55.01880	0.6
57.03448	2.4
59.01369	0.7
61.58660	0.5
69.03458	0.5
69.79386	1.6
69.79787	0.9
71.05037	5.3
73.02949	1.7
78.60044	0.4
79.01900	1.7
81.03468	1.1
83.01402	0.6
83.05031	1.2
85.02966	2.6
87.00868	0.8
93.03448	0.9
95.01388	1.8
95.05032	9.5
95.71347	0.5
97.02972	3.7
97.06591	2.0
98.20522	0.8
109.02931	0.8
109.06641	0.6
113.02440	0.5
114.27567	0.5
115.61645	0.5
121.02931	0.9
121.06597	0.7
122.03730	0.7
123.00915	0.8
123.04533	0.8
123.08176	1.1
124.01685	2.1
125.02448	1.7
135.04547	0.7
136.05351	0.5
137.02490	0.6
137.06050	1.4
137.56303	0.4
138.03210	1.4
139.04027	41.5
140.04330	1.7
149.06125	0.6
151.00392	1.4
152.01183	3.4
153.05595	1.1
165.01971	4.0
166.02757	5.0
167.03200	0.5
167.07132	2.3
179.03511	3.3
180.04305	3.2
181.05138	0.7
189.12830	0.5
193.05072	4.6
194.05861	0.6
198.01796	0.8
207.06633	1.8
208.07338	0.8
215.19441	0.5
221.08232	0.7
229.06265	0.5
233.15506	0.9
245.15427	0.7
247.09825	0.5
259.65472	0.6
275.13037	0.6
277.14517	0.7
285.18661	2.3
289.14511	0.7
289.40082	0.5
315.16122	4.4
316.16296	0.8
321.17145	1.2
329.17612	3.8
341.17383	0.6
385.16110	0.6
385.20471	2.7
386.20764	0.8
403.21277	100.0
404.21637	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	403.1764
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
59.01385	100.0
60.01712	1.8
61.98839	4.8
64.93157	0.9
70.35729	1.9
71.23873	1.0
73.15732	0.9
82.98464	0.9
93.03463	2.6
95.05007	0.8
96.96037	4.3
102.64656	0.7
108.02180	2.6
109.02979	5.5
109.85892	0.7
111.08180	1.5
121.02969	36.9
122.03822	8.2
123.00923	1.3
123.04541	7.4
124.01656	1.2
125.02438	1.2
134.03722	1.5
135.04498	2.6
136.05269	2.7
137.02426	1.4
139.00414	1.0
146.03777	1.6
147.04570	7.7
148.05336	0.9
149.06082	1.0
151.00380	1.3
154.02740	1.4
158.00157	0.8
159.04530	2.9
160.05312	1.9
161.06105	8.7
163.03975	1.0
164.04744	1.0
165.05508	4.8
166.02678	1.7
166.05916	0.9
173.06091	3.3
173.08200	1.2
174.06903	1.7
175.07622	3.6
179.07159	2.1
181.05055	3.1
190.06316	3.2
191.07158	8.2
192.07941	6.1
205.08696	3.1
207.10283	4.4
270.08914	2.9
283.09723	1.3
285.27307	0.8
297.11322	2.6
298.12149	2.0
311.12787	1.0
313.11044	1.3
313.14502	4.5
327.12341	1.1
328.07440	1.1
328.13168	18.9
329.13428	2.8
336.02997	0.9
343.15527	57.9
344.15878	8.2
346.14319	1.0
352.18262	1.0
361.16589	18.9
362.16812	2.6
388.15338	7.0
389.15567	1.3
403.17618	61.3
404.12897	1.3
404.17865	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48957	1.2
57.03455	4.8
58.00587	1.2
59.01381	100.0
71.01387	8.7
71.05006	1.9
73.02937	2.9
73.75908	1.3
83.01414	1.5
83.05039	1.8
85.02959	3.7
87.00880	8.6
87.27444	1.3
89.02460	9.0
95.01389	1.6
96.96017	2.3
97.02953	1.8
99.04497	1.9
101.02435	6.4
113.02438	3.5
119.03556	2.9
119.08679	2.6
121.06628	1.4
125.02415	1.4
133.03047	1.3
133.10220	1.9
135.08167	2.3
137.09737	6.2
159.11804	3.1
161.04529	1.6
161.09726	4.4
162.69998	1.2
163.07687	3.2
163.11159	1.1
167.10744	1.6
174.35324	1.3
179.05603	1.4
179.10786	4.7
181.08678	12.2
192.07014	1.2
197.11827	56.0
198.12137	3.3
223.09761	10.7
226.25845	1.4
229.36580	1.3
241.10828	78.3
242.11107	6.0
261.00348	4.0
283.11865	33.3
284.12283	2.0
297.07755	3.7
299.99146	3.1
300.99655	2.9
301.99619	3.9
313.12961	5.8
315.08737	1.8
343.13980	39.7
344.14380	4.6
359.08011	1.9
402.92725	4.3
403.15967	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	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
58.00602	1.2
59.01382	81.8
59.54506	0.7
60.01712	1.0
61.98822	2.2
69.54952	5.3
71.01389	11.2
71.05011	0.9
72.99311	1.1
73.02951	2.4
79.95762	0.9
83.01392	1.9
85.02960	3.0
87.00890	3.5
89.02455	10.9
95.01376	2.1
96.96027	2.6
99.04520	1.8
101.02462	7.3
111.04507	1.0
113.02448	5.2
116.50325	0.7
119.03512	3.7
119.08665	2.5
123.00914	1.0
125.02511	0.9
133.10216	1.8
135.08170	1.7
135.11792	1.1
137.02448	1.2
137.09735	5.6
143.03519	0.7
149.02400	0.8
159.66602	0.8
161.04573	1.0
161.09721	4.0
163.07591	1.7
179.05609	1.5
179.10849	3.9
181.08730	13.2
182.09079	0.9
183.06630	1.8
184.07150	0.7
197.11841	50.8
198.12161	3.6
200.21593	0.6
201.40524	0.7
223.09763	5.6
241.10820	100.0
242.11125	9.2
251.10716	0.8
261.00247	1.3
283.11868	3.2
342.07358	0.7
343.13992	1.8
343.17679	0.8
363.08237	1.7
403.16153	5.4
413.64798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.16443	0.9
57.03448	3.0
58.00617	1.0
59.01382	100.0
60.01702	1.8
61.98842	2.6
67.29092	0.7
71.01387	7.6
71.05027	1.8
72.99352	1.0
73.02954	2.5
83.05025	1.7
85.02969	1.8
87.00867	6.9
87.04557	1.2
89.02465	4.2
96.95994	0.9
97.02951	2.4
99.04538	2.5
101.02452	6.1
102.62907	0.8
109.06553	1.2
112.07028	0.9
113.02465	2.8
119.03539	1.0
119.08672	2.5
121.06615	1.9
125.02477	1.9
133.10251	2.6
135.04585	1.5
135.08154	2.5
135.11774	1.5
137.09726	7.5
143.03471	1.0
147.04474	1.1
149.09680	1.1
151.11328	1.0
159.11824	3.4
161.04614	1.1
161.09698	7.5
163.07669	3.7
163.11385	1.3
177.12869	1.6
179.10805	5.3
181.08716	11.2
197.11838	58.6
198.12192	4.1
212.94608	0.9
221.11807	1.9
223.09793	11.0
224.10019	1.2
241.10826	84.8
242.11241	5.6
265.10864	1.4
274.01212	2.8
283.11896	30.9
284.12149	2.9
300.99655	1.1
307.39008	0.9
313.12915	6.0
315.05081	1.2
327.09891	3.7
328.09610	1.3
343.14001	44.4
344.14349	5.3
347.74451	0.9
371.08685	2.0
403.03589	2.0
403.11703	1.2
403.16278	12.5
404.16452	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03443	0.5
58.02964	0.5
59.01385	6.0
65.00328	0.4
67.01883	1.1
71.01389	7.3
72.99308	0.6
73.02956	1.8
74.02462	0.7
79.01890	1.0
83.01402	1.7
85.02956	3.6
87.00888	0.5
89.02448	1.7
95.01392	2.5
97.02961	1.1
98.20667	0.8
98.24355	0.3
99.00907	0.8
99.05659	0.7
101.02452	4.7
101.73167	0.4
107.01410	3.3
111.00906	2.1
113.02454	3.0
119.03467	0.5
123.00895	17.6
124.01743	2.4
125.02456	17.0
126.02764	0.6
127.00394	0.9
128.03546	2.0
133.45233	0.4
136.98825	1.2
139.00391	4.9
140.01173	3.4
141.01967	2.2
143.03627	0.6
143.04631	4.1
150.06075	0.4
151.00380	13.4
153.01988	0.6
154.99875	0.6
159.02991	0.4
160.00768	1.1
161.04562	0.8
163.04024	0.5
167.04622	0.5
168.00670	4.5
169.01434	20.2
170.01732	1.2
177.03349	0.4
181.05083	0.6
193.05125	0.5
199.24977	0.4
210.08879	0.6
211.02478	0.8
223.02399	0.4
229.60129	0.6
246.52943	0.4
249.52194	0.3
254.07845	1.2
271.04623	1.2
272.08832	1.9
288.06702	0.6
306.07623	4.6
313.05646	1.6
373.18741	0.8
403.12476	100.0
404.12839	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
59.01381	6.1
64.81089	0.4
67.01871	0.9
69.49826	3.1
71.01383	5.9
72.99315	0.8
73.02945	1.4
75.89994	0.4
79.01894	1.4
83.01387	1.3
85.02964	3.1
89.02435	0.7
89.49776	0.4
92.07168	0.4
95.01408	2.2
97.10093	0.5
99.00873	0.9
101.02453	5.1
107.01404	4.7
109.02950	0.4
111.00897	2.2
113.02462	2.4
123.00894	15.6
124.01645	1.4
125.02454	16.8
127.00365	0.9
136.98810	1.9
139.00359	6.1
140.01155	4.7
141.01959	2.1
151.00374	13.0
151.04001	0.6
152.00659	0.6
153.01968	1.0
161.04532	0.6
168.00662	3.7
168.99969	1.0
169.01436	21.2
170.01743	0.8
211.02367	0.9
223.06168	0.4
243.34085	0.4
271.04446	0.9
313.05627	1.6
403.12445	100.0
404.12769	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08948	0.5
51.18964	0.4
51.42714	0.5
52.56938	0.5
55.01870	0.7
57.03448	0.6
57.28403	0.4
59.01396	3.5
60.32580	0.4
67.01898	1.5
68.73289	0.5
69.60462	1.1
69.60880	2.4
71.01395	6.1
72.13989	0.4
72.99323	0.8
73.02954	1.9
74.10107	0.4
79.01894	1.3
83.01399	1.8
85.02971	4.2
89.02459	0.8
95.01395	2.1
97.02954	0.9
97.56281	0.4
97.91354	0.4
99.00866	1.2
99.35625	0.5
101.02451	5.6
107.01402	4.4
110.00096	0.7
111.00877	2.8
113.02441	2.6
123.00901	16.0
124.01697	1.0
125.02448	17.8
126.02797	1.0
127.00398	0.7
136.98792	1.8
139.00389	5.6
140.01158	4.9
141.01932	1.6
151.00377	13.0
152.00760	1.0
153.01950	0.9
168.00653	4.7
169.01436	23.4
177.89226	0.5
182.77318	0.5
183.07112	0.5
209.04578	0.5
211.02451	1.3
271.04663	1.0
313.05716	2.0
353.92062	0.4
403.12454	100.0
404.12848	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07780	1.2
54.25545	1.2
57.03453	2.0
57.85444	1.2
57.98153	1.3
59.01384	29.9
61.98856	2.1
71.01376	6.2
73.02937	1.6
75.00879	11.8
76.59868	1.3
87.00885	1.5
89.02440	3.8
96.96004	1.9
98.19907	2.9
101.02444	3.1
104.05085	1.5
108.04595	1.8
113.02481	2.1
120.04576	1.6
122.06126	5.9
132.04555	15.0
137.09760	1.7
137.63339	1.2
146.02489	1.7
147.03273	5.6
150.05658	3.9
158.02510	6.9
160.03998	9.9
161.04800	1.9
162.05576	3.1
172.88611	1.3
176.03488	8.0
176.07141	3.9
181.08675	2.2
182.06047	1.6
190.05109	17.4
197.11835	9.1
209.07399	1.7
211.12431	3.0
212.05902	2.9
212.10893	2.3
213.06665	3.0
215.11897	5.0
220.02493	1.6
223.04955	1.6
223.08682	2.5
224.07495	2.5
224.09572	10.7
225.06528	2.8
226.07518	4.1
227.08197	6.7
229.27744	1.5
234.04077	2.0
235.44687	1.4
237.06082	6.8
238.08791	2.2
239.04596	1.8
239.08264	3.3
239.11917	25.8
240.10280	4.5
240.12434	2.2
241.10912	17.2
253.06197	17.0
254.06873	3.4
255.07646	3.1
255.11453	8.4
265.09995	2.4
267.07700	7.8
268.08533	11.9
281.09396	8.6
283.10883	55.2
284.11197	6.2
309.08826	24.2
310.09198	2.6
317.77469	1.5
327.09845	51.7
328.09961	6.3
341.11401	4.1
343.14066	4.9
353.07742	1.7
359.12509	4.9
371.08826	63.1
372.09201	7.5
403.11469	100.0
403.16171	15.6
404.11804	13.3
404.16614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02699	1.5
52.30138	1.6
53.10879	1.7
59.01384	11.4
59.73010	1.8
61.98828	11.8
66.19437	1.6
69.51768	1.6
69.62168	8.8
71.01377	5.4
80.05051	3.8
81.95959	1.8
96.96007	6.9
97.02956	1.9
99.96201	1.9
101.02466	3.0
109.02960	2.0
120.39235	1.9
122.06145	8.5
123.00903	2.2
125.02465	11.1
130.02943	3.7
132.04562	20.2
137.02448	4.4
139.04082	2.6
147.03293	4.3
149.17833	1.8
150.05588	4.2
154.01472	1.9
158.02449	9.1
160.04034	14.1
161.04712	2.5
162.05577	7.6
165.01974	3.0
175.02521	2.3
176.03540	9.2
176.07135	3.3
179.03508	2.9
183.89438	1.7
184.07669	2.0
190.05092	27.1
191.05617	2.6
196.11366	3.1
198.04347	2.5
209.07170	2.9
211.12334	5.8
212.05803	2.4
212.10817	5.1
215.06993	1.7
215.11885	7.7
216.85092	1.7
220.02533	2.7
223.08824	4.9
224.07343	2.7
224.09508	18.6
225.08116	2.7
226.07393	4.8
227.08203	7.1
228.08929	2.1
234.04005	4.1
235.04991	2.3
238.08829	3.0
239.04562	2.0
239.08255	5.7
239.11899	29.6
240.10287	6.5
240.12407	2.6
241.09860	12.6
253.06190	36.6
254.06639	3.7
255.07745	4.1
255.11441	7.1
265.09799	4.1
267.07782	9.3
268.08435	10.6
281.09363	5.8
283.10883	77.1
284.11295	8.3
305.06616	8.5
309.08752	22.2
315.13440	2.4
327.09860	100.0
328.10199	13.6
341.11450	3.8
353.07690	4.7
359.12244	5.5
371.08817	80.7
372.09039	10.8
403.10974	48.8
404.11755	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.8
61.98812	2.6
69.47014	8.4
71.01386	2.4
76.27573	1.0
76.98372	1.0
80.05046	1.4
96.96022	1.4
108.04540	1.5
122.06124	6.0
122.06941	1.0
130.02950	2.6
132.03641	1.5
132.04549	14.2
137.02463	2.0
137.09738	1.2
139.04005	1.8
140.42867	1.1
144.23628	1.0
146.02486	2.0
147.03221	2.6
148.03984	2.3
150.05594	3.2
158.02451	7.5
160.04056	8.6
161.04706	1.6
162.05591	2.5
163.07599	1.0
166.02666	1.3
174.05559	2.0
175.02757	1.6
176.03511	11.5
176.07161	1.4
181.05019	2.0
181.08682	2.4
182.06067	1.2
184.07755	1.8
185.23943	1.1
188.03555	1.1
190.05090	21.9
191.05696	3.1
197.11754	6.0
204.02919	1.9
205.01364	1.4
206.02142	1.2
209.07201	1.6
211.12422	5.0
212.05894	2.0
212.10876	1.6
213.06509	1.6
213.10179	1.7
215.11861	4.4
220.02484	1.6
223.08849	4.5
224.09567	11.5
225.06503	1.4
226.07423	3.5
227.08229	4.1
234.04169	2.7
235.04799	1.3
237.93262	1.0
239.08258	2.6
239.11900	20.3
240.10167	5.1
240.12389	2.3
241.10925	10.4
250.07401	1.8
253.06171	19.9
254.06830	2.6
255.07678	4.3
255.11357	4.6
262.01193	4.0
265.09760	2.7
267.07733	5.8
268.08481	9.6
271.07230	1.2
281.09305	5.3
283.10867	48.7
284.11160	4.8
287.15121	1.5
309.08789	12.9
310.09140	2.2
315.13400	2.4
327.09842	51.0
328.10245	6.7
331.08011	1.2
341.11136	5.2
342.07425	1.5
343.13895	4.6
359.07657	4.0
359.12363	6.6
360.12616	1.3
364.26166	1.1
371.08823	36.0
372.09155	4.3
385.10629	1.6
403.11407	100.0
404.11700	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	402.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.9
59.01382	34.3
69.44066	7.0
71.01384	22.6
72.62794	0.8
72.99294	1.7
85.02943	4.1
89.02448	25.9
93.63365	0.8
95.01408	2.0
96.96001	2.2
97.02976	1.2
101.02448	14.0
109.03008	1.2
113.02457	10.0
116.05075	18.7
119.03515	9.1
144.04623	0.8
153.01938	1.0
160.04045	36.8
161.04468	3.3
179.05591	1.3
179.70532	0.9
202.05104	16.5
203.05478	1.4
232.06152	3.3
253.04681	1.8
259.01343	1.8
262.07208	18.7
263.07489	1.1
284.82379	1.0
321.25122	1.0
322.09317	39.8
323.09741	4.8
402.05014	100.0
403.05316	9.8
403.12656	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	402.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	0.8
57.03454	11.6
58.03773	1.1
61.69696	0.4
65.00323	0.6
69.99357	1.5
76.53343	0.4
81.03471	2.9
82.03795	0.8
83.01394	13.0
83.91057	0.4
84.01752	1.8
99.04548	0.4
107.01379	0.7
115.05857	0.4
121.03004	0.7
123.04522	1.4
124.04897	0.8
125.02459	100.0
126.02795	33.7
127.02959	1.8
127.03962	0.4
149.02434	1.3
150.02795	0.7
151.00340	0.5
167.03517	1.8
168.03827	0.6
275.20212	1.2
276.20612	3.8
359.21777	0.6
384.22366	0.8
402.23495	9.5
403.24625	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	403.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03453	1.4
58.00605	1.8
59.01384	26.6
61.98838	11.3
63.09853	0.8
67.01906	2.8
69.03465	1.4
69.49731	7.3
71.01387	32.3
72.99314	3.3
73.02952	5.8
75.00885	1.5
77.45416	0.8
78.95895	4.1
79.01901	1.7
83.01390	5.1
85.02955	10.0
87.00872	1.6
89.02454	24.4
90.20065	0.9
90.23089	1.0
91.01933	0.9
93.03465	1.9
95.01385	4.7
95.05031	1.0
97.02981	1.7
98.20581	2.1
99.00918	2.8
100.29786	1.0
101.02447	17.8
107.01395	8.0
111.00868	4.6
111.43974	1.0
113.02461	11.5
115.24042	1.0
117.05569	1.0
119.03480	5.4
123.00889	21.1
123.04513	1.6
123.08171	1.6
124.01706	2.7
124.05338	2.6
125.02457	38.9
126.02768	1.7
131.03508	1.5
134.04761	1.2
136.98833	2.6
137.02440	5.2
137.06067	1.1
138.03308	1.7
139.00377	11.7
139.04019	3.8
139.07671	11.9
140.01192	5.1
141.01973	2.0
141.09221	0.8
143.03491	1.3
151.00386	15.1
153.01906	2.2
159.02881	1.1
161.04562	5.7
165.01958	1.7
167.03430	1.4
168.00650	14.9
169.01436	53.2
170.01814	2.4
175.11301	1.2
179.03310	1.0
179.05617	1.6
179.10896	1.0
179.57990	1.0
188.04735	0.8
197.13330	0.8
211.02484	44.4
212.02914	1.6
223.06123	2.6
241.03232	1.1
241.07150	1.1
241.14461	22.0
242.14783	1.9
251.05502	0.9
251.07768	11.0
253.03543	1.1
258.68747	1.0
271.04590	64.1
272.04993	6.3
313.05634	2.5
331.06635	7.9
403.08527	27.4
403.12454	100.0
403.20279	2.7
404.08844	4.1
404.13345	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	401.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74826	0.3
57.03429	0.7
59.01371	0.6
65.00323	0.4
69.50177	0.9
69.50603	1.1
71.05021	4.0
77.03943	0.3
79.01899	2.3
83.01377	0.4
93.03459	0.5
95.05030	10.4
96.05358	0.6
97.02968	2.6
97.06548	0.4
107.05015	0.3
109.06648	0.3
121.02978	1.3
122.03767	0.7
125.71362	0.2
127.21030	0.3
129.91847	0.2
130.74220	0.2
135.04501	1.1
136.05298	0.5
139.04021	13.3
140.04341	0.4
147.10016	0.2
162.94214	0.2
165.01953	2.0
166.02699	0.7
179.28119	0.3
180.04224	0.6
186.31079	0.2
193.05074	0.4
195.51866	0.3
209.38115	0.2
259.17047	0.3
261.22284	0.4
279.23315	0.3
301.25449	0.4
303.23230	2.1
315.26913	1.0
357.27988	23.3
358.13773	0.3
358.28302	3.3
383.25885	0.8
401.26956	100.0
402.27292	19.6
419.77097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.0
57.03456	1.2
67.52246	0.2
79.01894	2.2
80.02623	0.4
81.03448	0.5
85.06598	0.4
87.04522	1.7
95.04988	0.9
97.02921	0.4
97.06569	0.5
99.04484	0.4
99.08157	4.1
107.04980	0.9
109.02930	0.4
109.06571	0.4
111.04530	0.5
121.06597	1.1
123.08170	12.8
124.08443	0.6
125.06109	0.2
125.09687	0.3
135.04488	0.5
135.08223	0.2
142.82584	0.2
149.06079	1.8
151.03926	0.3
152.04736	0.9
163.07585	0.9
164.08376	0.3
164.73872	0.3
167.07143	11.9
168.07426	0.8
177.09203	0.3
177.16432	0.3
179.03452	0.7
180.04263	0.5
189.05507	0.5
193.01845	0.3
193.05066	1.9
194.05681	0.5
205.15984	0.2
207.06557	0.7
218.92459	0.2
221.08226	0.3
233.19073	1.0
251.20035	0.5
259.17001	0.3
275.20108	0.9
287.23795	0.9
315.23257	0.3
315.26797	0.3
357.27985	29.7
358.28372	5.0
383.26071	0.7
401.26987	100.0
402.27332	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	401.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59231	0.3
57.03438	0.3
63.02397	0.6
65.00334	2.5
66.29086	0.3
69.03467	0.4
71.41703	0.5
72.08700	0.4
81.03460	0.9
81.20226	0.3
83.01380	0.6
87.48443	0.3
90.90087	0.3
91.01907	0.6
93.26781	0.3
95.01404	5.4
96.02188	0.6
97.02956	1.2
107.01421	0.3
111.04549	0.4
113.65057	0.3
121.02982	0.7
122.03632	0.3
123.00888	2.9
124.01679	25.7
125.02405	1.1
127.55524	0.3
135.04538	0.8
137.02437	1.5
138.03267	1.6
138.58943	0.3
139.04036	11.2
140.04379	0.4
149.99579	0.7
151.00406	3.3
151.04070	0.6
152.01178	25.2
153.01511	0.9
163.80769	0.3
164.01158	0.7
165.01947	5.0
166.02745	8.2
167.03050	0.4
177.09221	0.4
179.03525	12.6
180.04074	0.9
191.10814	1.3
193.05048	2.2
198.01787	0.3
199.44417	0.3
207.06755	0.5
221.08160	1.4
231.13887	0.5
235.09790	3.4
249.11276	0.4
275.12860	1.6
285.18628	1.0
289.14377	0.9
301.14389	0.6
303.15945	0.5
315.16046	1.6
325.25293	0.6
329.17612	6.4
330.18057	0.8
343.19180	1.8
344.19327	0.5
357.20813	0.5
369.24341	0.5
386.24475	0.6
401.26999	100.0
402.27356	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	401.2337
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
61.98843	10.5
71.05022	7.9
71.60460	9.1
74.44777	6.6
80.45502	7.6
80.95765	6.9
96.80245	7.0
99.04517	7.4
108.48313	7.2
121.02991	8.8
126.67176	7.0
155.25864	7.1
246.82318	8.7
341.20648	8.1
383.22278	17.0
384.22516	9.6
401.23129	100.0
402.23810	15.9
404.36118	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2335
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
55.01879	0.8
69.69910	2.4
69.70248	0.4
72.94659	0.4
78.43946	0.3
79.01904	2.8
83.01386	1.4
85.06593	4.4
86.06911	0.5
91.05563	0.9
95.05036	5.0
97.02966	1.3
98.20506	0.8
109.06613	4.4
111.04538	6.5
112.04893	0.4
135.04547	3.4
149.06104	1.5
151.04050	0.5
151.06410	0.5
151.07661	15.4
152.07980	1.1
153.05589	32.2
154.05923	4.3
155.06142	1.8
177.05545	0.4
179.03496	3.3
180.04184	0.6
193.04968	0.5
195.06633	100.0
196.06982	6.3
354.12119	0.4
357.24396	0.5
359.22342	0.4
383.22339	3.6
384.22675	0.8
401.23285	10.7
402.23666	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	401.2334
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
57.03436	2.4
59.01379	2.0
68.04462	0.5
69.03466	0.7
69.82265	3.2
70.50671	0.6
71.05032	5.3
81.03488	3.3
83.01396	1.4
83.05035	5.1
85.02953	5.0
85.06552	0.9
95.01412	1.4
95.05062	0.7
97.02945	1.1
97.06640	1.2
99.04533	11.4
107.05029	1.2
108.00740	0.6
108.02226	0.6
108.87305	0.6
109.02968	5.8
109.06574	0.8
111.04540	2.6
113.02445	2.2
113.71676	0.7
122.03736	1.4
123.04521	3.2
125.01618	0.6
125.02450	3.6
125.06122	2.1
127.04020	18.3
127.04958	0.9
128.04388	0.6
136.05223	0.6
137.02434	1.8
138.03137	0.7
151.00359	0.8
151.04037	3.0
152.04773	2.7
153.05539	2.4
165.05566	1.1
167.03497	6.0
169.05051	2.4
177.09190	0.7
179.03419	0.6
231.17519	1.6
249.18764	0.9
273.18594	3.0
299.67255	0.6
301.21915	0.9
313.21768	0.9
315.23294	1.3
339.23425	0.8
341.21176	6.0
342.21936	2.4
343.19095	1.2
345.20700	3.4
346.21005	0.9
355.22824	1.3
357.20584	1.1
357.24371	5.2
358.24878	1.2
359.22250	4.7
375.35931	0.6
383.22168	3.0
401.23355	100.0
402.23694	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03443	0.8
70.92994	0.8
71.05029	14.8
73.02931	0.8
79.01900	5.1
83.05018	0.5
85.06596	7.9
91.05535	0.8
93.35089	0.5
94.27766	0.5
97.02959	3.2
97.06573	0.7
107.05042	1.2
108.88084	0.6
109.06599	11.4
111.04522	8.5
111.08154	0.6
123.08141	0.5
135.04529	4.0
138.03252	0.8
138.22499	0.5
149.06015	0.5
150.06956	0.5
151.04019	1.5
152.04759	0.6
153.05579	41.1
154.05925	2.1
163.11237	0.7
165.01942	0.7
177.05470	0.6
179.03467	2.9
180.04272	2.4
189.05437	0.6
193.05019	0.5
193.97668	0.5
194.05864	1.1
207.06654	1.5
221.08170	0.6
245.19052	0.6
265.83237	0.5
273.18573	1.1
301.21863	1.0
357.24353	3.2
358.24808	1.0
383.22177	0.9
401.23343	100.0
402.23663	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	401.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82111	0.3
56.77899	0.4
57.03453	5.0
59.01386	1.0
59.11517	0.4
65.00317	1.9
69.03442	0.4
69.60776	1.0
69.61186	1.5
71.05025	15.6
72.54955	0.3
72.76271	0.3
81.03462	16.5
83.01405	2.9
83.05038	0.8
85.06594	1.5
88.96339	0.4
95.01385	0.8
95.04987	0.4
97.02973	0.4
97.06585	0.4
107.01407	1.2
111.08148	1.3
122.03734	1.9
123.00890	0.5
123.08112	0.4
124.01671	1.2
125.02457	15.5
126.02857	0.5
135.04515	0.7
149.06073	0.6
151.00392	2.0
152.01181	1.4
166.02814	0.9
179.03493	1.7
191.14487	0.4
205.16075	0.5
219.17599	1.3
231.17528	1.3
235.09492	0.4
241.39557	0.4
245.15454	1.0
245.19118	1.1
259.20590	1.3
273.18555	3.7
285.18710	0.6
287.20267	0.5
289.14346	0.7
301.21838	0.4
315.23022	0.6
317.21295	0.6
357.24356	6.3
358.24603	0.6
382.26138	0.4
383.21848	0.8
401.23346	100.0
402.23679	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	401.2334
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
54.60781	0.7
57.03444	2.4
59.01373	2.5
61.60182	0.6
69.82811	4.1
71.05031	7.6
72.63734	0.7
75.48640	0.8
81.03468	3.0
83.01363	1.4
83.05013	5.8
85.02960	5.9
95.01390	1.4
95.05016	0.9
97.02946	2.0
97.06598	1.8
99.04528	15.9
107.05050	1.7
108.02161	0.8
109.02969	5.6
109.06589	1.3
110.03694	1.1
111.04523	4.2
113.02473	2.3
122.03651	0.8
123.04520	3.2
125.02429	1.7
125.06086	1.9
127.04024	26.8
137.02495	1.5
151.04056	4.5
152.04796	4.1
153.01985	0.9
153.05598	2.4
165.05635	0.9
167.03493	6.2
169.05040	3.1
177.02007	0.8
179.07147	1.0
185.30240	0.7
191.07736	0.8
194.64987	0.7
231.17619	1.3
249.18634	0.8
273.18591	4.0
301.21741	0.8
315.23419	0.8
341.21240	10.4
342.21948	3.5
343.19162	1.6
345.20703	4.8
355.22888	2.3
357.24429	4.7
358.24802	1.0
359.22318	5.4
383.22244	4.4
401.23346	100.0
402.23688	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	401.2333
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
57.03461	2.3
59.01386	0.6
64.84447	0.4
65.00322	0.7
69.03440	0.9
69.55984	1.7
69.56413	1.2
70.41722	0.4
71.05029	0.9
79.72005	0.5
81.03464	6.4
83.01392	1.7
83.05026	0.9
85.02976	0.5
85.06560	0.5
95.01402	3.5
98.20567	0.8
99.04519	1.1
107.01382	1.2
107.05031	0.7
109.02962	0.8
109.06617	1.1
111.04549	0.6
122.03729	1.9
123.00855	1.6
123.04510	0.9
124.01655	3.4
125.02456	11.1
127.04034	1.8
129.62143	0.5
135.04521	0.8
137.02469	0.7
151.00380	4.8
151.04025	0.9
151.51010	0.5
152.01149	5.1
152.04778	0.5
153.05537	2.1
166.02710	6.8
167.03455	1.5
177.73459	0.5
179.03487	6.9
180.04121	0.8
181.20711	0.5
193.05064	1.8
194.05788	0.9
205.12383	1.0
207.06590	0.5
221.08234	1.2
235.09784	0.9
245.15570	2.2
245.19009	0.6
249.11307	1.0
258.30344	0.5
263.12915	0.9
266.67758	0.5
287.20166	3.6
288.20572	0.5
289.14539	3.6
291.12445	3.6
331.19232	1.0
342.21701	0.6
342.93073	0.4
357.24347	1.1
359.22302	0.6
383.22336	0.7
401.23340	100.0
402.23642	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	401.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59495	0.5
57.03439	1.5
59.01375	2.3
70.92871	1.6
71.05029	4.8
81.03472	0.9
83.05010	1.8
84.00079	0.6
84.59160	0.5
85.02937	3.3
97.06589	1.4
99.04514	3.6
107.05035	1.7
108.02155	1.0
109.02979	6.5
109.06617	0.7
111.04546	2.7
111.87592	0.5
113.02435	0.8
123.04527	3.3
125.06090	2.2
127.04034	7.2
135.00926	0.7
137.02425	0.8
141.05519	0.8
149.02496	1.4
149.06075	0.6
150.03204	0.7
151.03999	5.6
152.04822	3.4
153.05586	2.9
164.04805	2.1
167.03471	1.9
169.05080	0.9
177.01917	1.5
178.02664	2.1
178.06316	0.8
182.02257	1.3
191.03571	0.7
205.05055	1.1
249.18587	1.6
273.18576	1.9
275.12967	0.6
339.23282	1.7
341.21210	6.5
342.21866	2.0
345.20709	5.7
346.21072	1.1
355.22821	6.5
356.23172	1.1
357.24496	1.3
358.24362	0.7
359.22281	2.5
383.22324	29.8
384.22659	5.9
386.20938	2.3
401.23337	100.0
402.23669	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	401.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01380	1.9
70.92792	1.1
70.93137	1.1
71.05031	5.2
71.91681	0.5
73.72505	0.5
77.88212	0.6
81.03455	1.2
82.65989	0.5
83.05027	1.7
85.02958	3.4
97.02982	0.7
97.06600	0.9
99.04538	3.3
107.05025	2.2
109.02953	4.5
109.06618	1.6
111.04517	2.3
113.02473	0.7
113.38790	0.5
116.46635	0.6
122.03724	0.9
123.04545	2.7
125.02404	0.8
125.06091	2.1
127.04023	7.3
135.00810	0.6
136.05284	0.8
137.02472	1.0
149.02463	1.3
151.04030	4.1
152.04817	2.9
153.01910	1.1
153.05545	1.9
154.02791	0.6
163.03990	1.2
164.04774	2.1
165.05617	0.6
167.03468	1.5
169.04993	1.1
177.01910	1.2
177.05644	0.8
178.02676	2.0
191.03441	0.7
191.07182	0.6
192.04202	0.6
196.03741	0.6
205.05034	0.7
244.49916	0.7
249.18518	1.2
273.18597	1.9
289.14096	0.6
304.29364	0.6
333.61996	0.7
339.23300	1.4
341.21304	6.4
342.21768	1.3
345.20581	5.5
346.20993	0.8
355.22787	7.4
356.23096	0.9
357.24341	2.3
359.22324	1.8
376.21643	0.5
383.22305	28.3
384.22595	5.2
386.20984	1.9
401.23355	100.0
402.23682	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	401.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72064	0.7
57.03440	1.6
59.01390	1.7
69.55698	4.2
71.05020	5.0
81.03442	0.8
83.05035	2.1
85.02959	3.7
97.02944	1.4
97.06586	1.1
98.19927	1.3
99.04499	3.9
107.05039	1.3
109.02975	5.6
109.06500	0.7
111.04517	2.0
123.04500	2.9
125.02436	1.3
125.06101	2.0
127.04030	8.9
130.05699	0.7
135.04495	1.1
137.02478	0.6
149.02441	1.6
151.03992	4.7
152.04761	2.2
153.05602	3.7
163.04076	0.8
164.04787	1.5
167.03482	1.4
177.01955	1.2
178.02689	2.9
182.02151	1.2
191.03506	0.8
196.03755	0.7
206.23077	0.7
231.17424	0.7
249.18692	1.1
273.18637	1.8
339.23483	1.6
341.21188	6.0
342.21860	2.5
345.20673	5.4
346.21005	0.8
355.22751	5.9
357.24329	1.7
359.22174	1.5
359.60687	0.8
367.19247	1.1
383.22299	28.6
384.22607	4.4
386.20889	1.8
401.23358	100.0
402.23697	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	401.197
Annotation	Ardisinone D
Peak:m/z	Relative Intensity
50.39547	0.4
55.01896	0.5
57.03451	3.2
59.01402	0.8
67.99949	0.4
71.05021	5.1
71.37571	1.0
72.49371	0.4
79.01894	1.4
81.03481	0.9
83.05034	0.8
95.01366	0.7
95.05042	5.3
97.02934	2.5
107.05066	0.6
109.02968	3.2
109.90813	0.4
113.34678	0.4
121.02975	3.3
121.06660	0.7
123.04506	0.8
123.96769	0.4
124.05307	12.9
125.02429	3.6
125.05560	0.5
135.08127	0.6
137.02461	3.1
137.09750	0.5
138.03241	7.8
139.00389	0.9
139.04024	49.0
140.04347	1.6
149.06056	0.6
149.22978	0.4
153.01888	0.5
164.58987	0.4
165.01933	10.2
166.02721	32.6
167.03081	1.6
170.02208	1.1
177.09206	0.9
177.12848	0.6
179.03537	2.1
180.04298	9.3
193.05057	22.6
194.05785	4.0
198.01672	4.2
207.06630	4.0
208.07031	0.7
209.92293	0.4
212.03200	1.1
221.08191	5.8
222.08939	4.8
223.09409	0.6
226.04887	1.4
233.15442	1.2
235.09798	2.0
254.07912	0.8
261.11371	1.0
264.51392	0.5
275.12891	0.9
276.13654	6.9
277.14233	1.8
279.26416	0.5
295.44284	0.4
308.12796	1.1
383.18640	0.8
401.19690	100.0
402.20041	18.8
402.25336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1972
Annotation	Ardisinone D
Peak:m/z	Relative Intensity
57.03458	2.8
59.01389	0.7
61.47732	0.5
65.00366	0.8
69.03489	0.5
69.51187	3.6
81.03459	1.2
83.05044	0.5
86.31882	0.6
93.03458	0.9
95.01390	1.1
95.05040	0.6
97.02938	0.7
98.19881	0.8
109.02969	0.9
109.06598	0.7
114.91329	0.5
121.02965	2.8
123.00884	0.6
123.04501	0.6
123.90476	0.4
124.01677	19.5
124.05312	34.5
125.02509	3.9
125.05679	1.8
135.00645	0.5
137.02454	9.6
139.04027	100.0
140.04362	6.0
149.06062	0.7
151.00369	2.1
152.01173	4.7
165.01945	45.5
166.02591	3.0
167.07156	0.6
178.02744	0.9
179.03493	3.4
191.07146	1.8
193.05104	4.4
207.06639	1.5
217.12282	0.9
221.08195	2.8
243.13942	0.7
245.11829	0.8
261.11386	2.9
262.55560	0.6
276.13644	0.7
313.07278	0.6
343.15543	6.7
344.15787	1.1
383.18665	3.8
401.19696	58.0
402.19974	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03448	6.0
58.00605	3.8
59.01382	100.0
60.01725	1.1
66.03463	0.5
70.92168	1.2
71.01386	59.8
72.01726	0.7
72.99305	4.9
73.02949	3.5
79.95741	1.2
83.01381	2.9
85.02953	13.8
87.00880	3.0
89.02450	76.3
90.02785	1.7
93.03454	0.9
95.01397	5.2
96.96010	3.6
97.02954	1.1
97.13497	0.5
97.19362	0.5
98.95599	1.2
99.00892	1.2
99.04506	0.6
101.02450	32.0
102.02802	1.1
102.25960	0.5
103.04025	0.6
108.02190	12.7
109.02970	5.8
111.00864	0.7
113.02455	23.9
119.03510	28.6
119.05005	1.7
120.03810	0.7
120.99676	0.6
122.03767	3.4
123.00898	2.0
123.04532	0.7
123.08186	1.2
124.05297	1.8
125.02475	2.6
129.01932	0.7
131.03497	3.7
133.02986	0.6
135.04518	1.9
137.02498	1.2
137.06078	1.8
139.00333	1.0
139.07663	8.2
143.03508	4.0
147.04593	0.7
148.05290	0.5
149.04602	2.0
151.00459	0.9
151.04027	0.6
151.07664	3.9
152.01163	22.8
153.01617	0.9
160.08969	0.7
161.04576	6.9
161.09747	1.6
163.03987	1.1
163.07707	3.1
165.09242	2.2
168.07947	6.5
169.01468	3.2
169.08252	0.5
173.09666	0.7
175.97826	1.4
177.09154	0.8
179.05637	7.9
179.07121	0.8
179.10783	3.3
187.79372	0.5
188.08443	1.5
191.09319	0.7
191.10815	5.0
192.11166	0.6
193.05112	0.7
203.10786	10.2
204.11198	0.6
208.62357	0.5
209.11740	1.4
218.94586	0.5
221.11839	16.5
221.14014	0.8
222.12186	1.3
239.12856	0.8
248.29379	0.5
275.02032	0.7
300.99799	0.9
371.16980	1.1
401.10904	29.2
401.17941	1.4
402.05905	0.7
402.11288	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03458	5.2
57.73578	0.5
58.00588	4.0
59.01382	100.0
60.01714	1.4
62.68561	0.5
62.68894	0.5
65.58305	0.5
66.03498	0.6
69.03477	1.4
69.52320	0.5
69.52650	4.2
71.01385	58.2
72.01746	1.3
72.99313	5.7
73.02949	4.0
75.00900	1.6
83.01398	3.1
83.05001	0.7
85.02951	15.4
85.03440	0.8
86.03283	0.6
87.00869	4.8
89.02447	60.9
90.02792	0.9
93.03489	0.9
95.01397	4.6
95.05051	1.5
96.96010	3.0
97.02959	4.4
97.06611	0.7
99.00867	1.4
101.02447	32.5
102.02821	0.6
103.04029	0.7
107.05034	5.9
109.02976	3.8
109.06596	2.8
111.00906	0.8
111.04518	0.6
113.02451	24.5
113.03246	1.2
116.05096	0.6
119.03507	24.6
120.03916	1.1
120.99658	3.5
121.06619	3.8
122.03748	3.0
122.04550	0.6
123.00908	2.0
123.04575	2.8
125.02472	2.4
131.03502	1.8
131.08681	0.8
133.02960	2.6
133.10236	0.8
135.08217	0.6
136.05301	6.9
137.02419	1.0
137.06085	2.3
139.00363	0.8
139.07642	1.7
143.03525	3.1
144.05852	2.0
147.08136	3.5
149.04581	1.9
149.09714	6.9
150.06781	0.6
151.00363	0.9
151.04065	1.5
151.07686	2.0
153.01895	1.4
159.03088	0.8
159.08151	2.7
160.04071	0.7
161.04594	7.3
161.05942	0.7
161.09727	0.8
163.07668	1.4
163.11340	2.2
165.09227	6.9
169.01477	2.7
173.09799	1.4
176.08466	2.3
177.09216	17.7
177.63542	0.6
178.09682	1.4
179.05627	5.2
179.10806	1.1
188.08456	1.6
191.10789	17.7
192.11165	1.8
194.09445	1.5
196.09848	0.9
203.10803	4.7
209.11829	32.3
210.12221	1.6
221.11824	16.8
222.12262	1.4
239.12888	42.6
240.08839	1.0
240.13248	3.7
249.06305	1.5
263.09863	0.8
263.36450	0.7
267.07199	11.8
268.07639	0.9
299.99124	1.1
300.99829	0.7
331.14108	1.1
343.04321	0.6
383.17175	8.2
384.17670	0.8
386.47977	0.6
401.11041	9.2
401.18311	39.6
402.05170	1.9
402.10843	0.9
402.18607	5.6
418.90540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68624	0.5
59.01383	53.7
79.95753	0.6
97.81004	0.5
98.20647	1.4
108.02180	1.9
109.02966	0.8
121.02975	4.7
122.03694	0.8
123.04538	1.6
123.87836	0.6
125.02464	1.4
135.04553	3.2
149.02467	1.6
150.03212	6.0
161.06107	5.4
162.06886	14.7
163.07251	0.6
164.04779	1.2
165.05582	3.3
176.04747	0.7
180.07925	1.0
189.05559	0.8
199.48436	0.5
203.07280	0.6
221.08176	10.4
222.08975	31.4
223.09340	3.3
224.07065	1.0
229.18460	0.7
234.08896	0.8
236.06860	1.2
236.10602	1.0
237.11333	4.4
250.08492	10.9
251.08824	0.6
254.07973	3.6
264.09979	1.3
265.10818	100.0
266.11188	8.4
268.09415	3.1
277.10916	1.2
281.08121	1.1
313.07013	0.7
331.15469	1.8
341.13950	0.9
353.10245	1.6
354.17944	0.6
368.12653	2.3
373.16583	2.9
401.08340	1.5
401.15875	9.6
401.19827	0.7
402.16364	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	401.161
Annotation	Lariciresinol acetate
Peak:m/z	Relative Intensity
50.44046	0.9
59.01388	100.0
60.01706	1.2
61.98803	0.9
63.65535	0.8
69.27174	10.0
71.01392	2.7
73.02983	1.0
79.72006	0.9
85.02926	0.9
89.02444	1.4
91.67812	1.0
96.96024	9.3
98.20657	2.3
101.02406	1.5
105.63029	0.9
108.02190	3.0
109.02955	12.1
113.02467	1.0
118.95985	0.9
121.02961	8.6
123.04530	3.4
131.05057	1.6
134.03775	2.1
143.05054	2.0
144.05843	2.6
146.03767	2.3
147.04506	2.2
149.06082	2.7
158.03740	3.7
159.04539	6.4
161.06084	2.3
162.03281	1.8
166.97829	1.0
169.01486	1.7
171.04494	13.7
172.05325	8.2
173.06079	12.1
174.06450	0.9
175.04028	1.0
177.05513	1.7
179.03516	1.9
185.06142	1.6
187.07680	4.1
188.04820	1.5
189.05573	16.8
190.06378	72.2
191.06779	4.7
201.05667	1.0
202.06270	1.5
203.07115	5.2
205.08713	74.1
206.09006	6.8
212.04825	1.5
224.04846	1.7
229.01392	1.0
236.22168	1.1
240.04294	4.6
241.05112	6.8
254.05989	1.2
255.06615	7.0
262.06979	1.2
269.08209	1.7
270.08862	1.7
281.08163	3.7
283.09641	1.3
295.09717	4.1
296.10449	2.9
297.11203	1.3
299.99014	2.8
309.11462	1.7
311.09265	5.1
311.12598	1.7
313.07175	1.1
313.10724	2.3
325.10876	1.7
326.11505	9.1
341.06766	2.8
341.13950	39.7
342.14368	5.0
343.11926	2.4
344.12509	2.9
356.08951	3.7
359.15033	11.6
360.15424	1.5
369.06198	1.2
371.11401	14.1
385.12790	1.4
386.13727	18.9
387.14063	3.0
400.92450	1.8
401.16040	61.5
402.08652	1.1
402.16278	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
59.01387	3.2
65.00331	0.5
67.01882	0.8
68.99799	0.4
69.03447	0.8
69.36938	2.7
71.01391	4.8
72.99311	1.0
73.02961	1.8
79.01915	0.9
81.03437	0.5
82.32176	0.3
83.01395	1.8
85.02956	2.7
87.00893	0.8
89.02471	0.6
95.01389	2.0
95.01926	0.3
95.04994	0.4
96.96008	1.1
97.02970	1.3
99.00903	1.0
101.02453	4.3
107.01396	3.8
109.02924	0.9
110.00135	0.4
111.00881	4.0
113.02477	1.5
116.36730	0.3
122.99986	0.8
123.00891	16.9
123.04507	0.5
124.01675	1.4
125.02457	14.9
126.02772	0.7
127.00397	1.0
135.04506	0.4
136.98769	1.7
137.02454	1.2
139.00377	6.8
139.04060	0.5
140.01178	5.2
141.01999	2.4
149.02455	0.5
151.00377	11.8
151.03976	0.6
153.01910	0.9
163.04057	0.6
168.00638	4.8
169.01439	18.1
170.01852	0.7
179.03349	0.4
195.02957	0.4
207.92776	0.4
253.03471	0.5
275.40970	0.4
289.07211	1.1
290.26111	0.4
299.99066	0.7
313.05917	1.0
314.05756	0.3
368.70502	0.4
369.06281	1.3
401.14551	100.0
402.14880	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.6
56.42196	1.3
57.03454	8.5
58.00610	2.2
59.01382	43.3
69.03448	2.1
69.63238	8.9
71.01388	100.0
72.01730	3.0
72.99325	2.5
73.02953	38.6
74.47930	1.3
75.00892	3.4
75.27628	1.2
79.55141	1.3
79.93902	1.2
81.03495	1.7
83.01390	15.6
85.02437	2.8
85.02956	50.2
86.03291	1.2
87.00862	6.6
89.02451	22.6
95.01406	5.7
97.02966	5.0
99.00887	19.4
99.04597	1.4
101.02451	81.8
103.04034	5.8
107.05091	1.6
109.02980	2.5
113.02458	36.4
113.03248	2.3
115.04033	4.7
117.05607	1.5
120.99667	2.9
123.04564	1.8
125.02465	8.0
126.02795	1.7
129.01920	1.7
131.03546	4.4
135.04552	1.8
143.03519	7.0
149.04607	3.3
151.04028	1.2
152.01193	2.1
153.01997	6.2
158.86249	1.3
159.02995	8.8
160.04137	2.9
161.04572	51.7
162.04987	1.6
191.05595	2.0
195.02942	6.0
205.03549	2.1
233.06708	9.9
239.09242	1.7
255.05200	5.8
255.07672	1.3
265.09274	8.1
269.10312	97.2
270.10742	7.9
293.08881	4.5
322.09381	4.1
398.76013	1.4
401.14758	94.5
402.05161	5.4
402.15076	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01887	8.0
57.03445	5.1
58.00598	4.4
59.01382	82.8
66.03487	20.3
66.13280	1.0
66.79216	0.9
68.99841	1.0
69.03456	2.9
71.01389	100.0
71.59644	1.3
72.01729	1.2
72.99318	3.3
73.02953	31.4
75.00850	1.1
78.60961	1.0
81.03458	3.4
83.01398	16.9
85.02436	1.8
85.02956	40.9
87.00877	5.3
89.02454	53.0
90.98596	3.5
95.00880	1.0
95.01368	5.2
96.96032	1.9
97.02981	5.6
99.00883	9.2
101.02454	77.2
102.02794	2.0
107.05056	1.5
107.93899	0.8
109.02973	2.5
111.00896	14.1
113.02454	30.0
114.02850	1.0
115.04021	2.4
116.05079	1.6
119.03542	3.2
120.99641	1.4
123.04547	1.6
125.02466	8.6
129.01987	2.9
131.02518	1.6
131.03517	29.8
137.02492	1.3
141.01810	1.0
141.05557	1.1
143.03491	7.6
149.04575	13.1
150.09235	9.6
151.04071	1.2
153.01935	2.3
154.48148	0.8
159.03012	6.6
160.04074	3.7
161.04572	37.3
161.09752	1.0
173.04613	1.6
179.00232	2.7
182.02005	1.0
191.05710	3.0
195.03067	1.6
196.09807	15.7
202.05150	1.8
215.05843	1.2
221.11916	1.6
233.06728	8.8
239.09349	3.0
240.08797	31.6
240.11139	1.9
251.09209	1.6
255.05124	1.1
262.07251	2.3
265.09326	2.9
265.22229	1.1
269.10297	64.2
270.10574	7.3
293.08865	2.9
322.09274	1.6
401.14648	56.4
402.05222	6.0
402.14838	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.37119	0.4
55.01871	1.0
55.47867	0.3
57.03444	0.6
59.01379	4.1
66.85164	0.4
67.01871	0.7
68.99792	0.4
69.03444	0.7
69.50392	1.2
69.50803	1.9
69.83755	0.4
71.01379	4.4
72.99313	0.6
73.02943	1.8
79.01888	1.5
83.01366	2.1
85.02950	3.4
87.00872	0.8
89.02442	0.9
95.01392	1.9
96.96045	0.5
97.02951	1.1
99.00876	0.8
100.80299	0.4
101.02442	4.1
107.01399	3.4
109.02927	0.4
110.00101	0.6
111.00881	3.2
113.02456	2.4
118.72260	0.4
123.00892	15.1
123.04524	0.6
124.01693	1.3
124.98656	0.4
125.02449	15.2
126.02736	0.6
127.00393	1.3
135.04552	0.7
136.98772	2.0
137.02480	0.9
139.00365	6.8
139.03958	0.5
140.01157	4.8
141.01978	2.8
150.99155	0.7
151.00377	12.5
151.03995	0.5
152.00722	0.5
153.01988	0.5
163.03970	0.8
168.00685	4.5
169.01422	17.9
170.01804	1.0
181.05022	0.7
211.02533	0.8
217.08858	0.4
221.04541	0.5
269.08453	0.7
299.99188	0.7
313.05539	0.8
399.37869	0.4
401.14523	100.0
402.14902	13.1
418.14594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.0
57.03479	2.5
58.00586	1.0
59.01382	44.8
60.92715	0.6
67.01903	1.7
69.03486	1.8
71.01389	14.2
71.60577	1.1
72.99355	1.4
73.02988	2.5
79.01901	1.0
81.03461	1.3
83.01436	2.1
85.02943	4.8
87.00919	2.3
87.04550	2.8
89.02451	9.1
89.02921	0.8
95.01402	3.6
95.05058	0.9
96.96037	2.8
97.02985	2.7
99.00884	0.7
101.02459	6.1
107.01398	11.1
109.02983	2.0
111.00923	2.0
113.02454	5.2
119.03543	2.5
120.99664	1.4
121.03001	3.0
123.00887	9.9
123.04552	3.9
124.01744	0.8
125.02457	74.7
125.06118	1.4
126.02805	2.8
135.04507	0.8
136.98906	0.9
137.02475	2.1
138.03198	0.8
139.00391	4.3
139.04021	6.9
140.01181	2.0
141.02036	1.1
149.02470	0.8
151.00368	7.8
151.04065	2.3
151.07626	0.9
153.01961	1.8
153.05615	0.8
159.04431	0.7
161.02444	0.8
161.04581	2.1
163.03999	1.4
166.02734	2.1
166.99872	0.9
167.03514	8.4
168.00699	3.9
169.01433	100.0
170.01788	5.4
171.01886	1.1
177.01907	0.8
179.03430	0.7
179.07149	2.0
179.37436	0.9
188.50305	0.7
193.01529	1.0
195.06693	0.9
195.10423	0.7
199.04782	0.7
211.02475	6.8
221.11816	1.8
238.81873	0.7
239.09157	0.9
239.12860	1.1
241.03491	5.8
257.04431	0.9
271.04614	6.7
285.03900	0.9
299.99011	0.9
300.99908	0.8
304.05911	1.0
313.05670	53.3
314.06146	4.8
329.02982	0.7
331.06607	0.8
339.75482	0.7
341.08810	1.0
357.02188	2.9
401.01251	4.5
401.10693	69.5
402.11182	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	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
57.03455	8.0
59.01384	9.3
61.86404	0.4
69.03466	1.6
69.09077	0.4
71.01393	2.0
71.13477	0.4
75.00869	0.5
81.03474	0.7
83.01376	1.6
85.02942	0.7
87.04503	1.1
89.02441	1.6
93.03468	0.7
96.96030	1.6
97.02950	0.9
98.11235	0.5
101.02489	1.0
107.05029	2.0
109.02977	1.1
111.04523	8.0
112.04905	0.5
113.02451	1.6
117.05568	1.4
119.03465	0.4
120.99647	0.8
121.02960	1.5
123.00863	0.7
123.04530	1.7
125.02460	100.0
126.02792	4.1
135.04523	1.4
137.02487	1.3
138.03270	0.6
139.04027	1.1
149.02454	10.8
151.04071	0.8
153.01968	1.1
160.04047	0.9
161.04555	0.6
164.94444	0.5
167.03516	1.7
169.01440	1.6
175.04007	0.6
179.03513	13.3
180.03883	0.8
191.03506	0.7
195.02959	0.5
239.05624	33.7
240.05980	2.5
263.05484	2.4
281.06793	0.7
287.07687	0.7
364.95813	0.6
401.11551	4.3
402.11893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06657	1.0
55.01873	2.2
57.03433	4.8
58.00586	2.9
59.01382	44.1
60.00592	0.9
62.35035	1.0
67.84230	1.0
71.01385	41.3
72.99328	2.4
73.02948	11.2
73.64197	1.2
75.00826	1.0
78.48315	1.2
83.01367	4.9
85.02961	27.7
87.00846	3.6
89.02453	22.6
93.71853	1.1
95.01364	4.0
96.96004	1.8
97.02942	1.8
98.20657	1.8
99.00900	5.2
101.02451	32.9
103.03379	1.8
103.04022	28.2
104.04305	1.3
109.02956	25.0
111.00864	2.1
113.02457	15.8
116.05046	5.9
117.05527	4.5
119.03503	6.4
120.98873	1.3
120.99658	17.4
123.00827	2.2
123.04536	2.2
124.01618	2.4
125.02399	3.0
137.02448	1.1
139.00304	1.5
139.03951	1.2
139.45734	1.1
139.66814	1.0
143.03448	2.8
145.05142	1.1
151.03944	2.2
152.01163	8.4
153.01953	38.4
154.02264	1.4
159.02997	1.9
160.04047	6.9
161.04575	15.2
167.03513	1.1
169.01410	2.1
179.05600	1.9
190.11584	1.0
191.05435	1.2
195.01187	2.3
195.02989	41.7
196.03185	2.4
202.04991	4.8
239.09213	1.1
255.05115	42.6
256.05334	3.2
262.07135	3.7
265.09290	72.0
266.09479	4.9
269.10315	26.1
270.10620	1.9
297.06073	1.9
322.09314	8.0
325.07117	1.3
383.09286	1.7
401.10657	100.0
402.04739	18.8
402.10941	10.4
422.10303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
62.61002	1.2
63.44276	1.2
68.99794	1.4
71.01385	5.2
71.29588	2.6
72.56589	1.2
72.99325	2.5
73.02940	3.2
85.02977	6.7
87.00876	52.3
88.01218	1.6
99.00866	1.6
101.02458	3.5
113.02448	4.6
121.02926	2.5
123.00873	4.6
133.02962	1.4
135.04521	3.4
138.03224	3.0
144.89012	1.5
149.02455	3.4
151.00311	2.5
151.04001	2.2
161.02441	5.6
163.04024	15.6
164.04794	15.1
165.05515	5.0
166.02686	6.3
173.02490	1.9
175.04025	4.0
176.04816	10.8
177.01871	2.9
177.05461	2.5
178.06358	16.6
178.66695	1.5
179.03584	7.4
179.07135	28.1
181.05061	9.0
187.03990	2.3
188.04828	2.6
190.02620	1.9
191.03494	18.3
191.07144	7.8
192.04228	2.3
193.05054	9.4
193.08717	4.3
194.05846	4.4
195.27931	1.3
203.03468	5.6
204.04247	2.0
205.01442	1.6
205.05034	7.3
206.05821	7.4
207.06516	3.6
209.08269	7.3
218.05801	4.6
219.03003	5.0
219.06653	1.5
220.03877	2.6
221.04480	4.3
221.08153	7.8
222.05341	1.7
229.01282	1.4
231.02971	2.5
233.08217	1.7
234.05310	5.0
235.06047	2.6
236.06723	2.2
237.07657	3.5
238.04794	2.2
243.02963	1.6
246.05214	1.9
247.02518	8.4
247.06111	4.5
249.07982	6.3
250.04852	1.5
251.09207	2.6
261.07794	1.6
262.04898	10.5
265.07187	59.5
266.07513	4.1
267.07190	4.2
277.07175	28.6
278.07547	2.6
291.08762	1.7
295.08240	78.9
296.08588	8.5
296.38409	1.4
337.09152	2.7
355.10309	19.4
356.10693	2.9
383.09738	7.2
401.10883	100.0
402.11234	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.1
59.01385	15.9
68.99829	1.8
69.03459	1.4
69.33962	6.6
71.01385	19.6
72.99304	4.4
73.02938	2.0
75.00880	16.3
81.03455	0.8
83.01396	0.9
85.02955	22.6
87.00884	8.1
89.02445	5.4
93.03460	1.6
93.31836	0.8
95.01404	5.7
98.20657	1.5
99.00875	9.4
103.00382	2.3
106.04256	2.7
107.04359	1.3
107.05038	12.0
108.02155	2.1
109.02909	0.9
111.00901	1.3
113.02457	26.0
113.03242	1.3
115.00375	2.6
117.01927	2.7
121.02957	2.3
123.04533	5.0
129.01962	2.2
131.03535	1.1
133.02971	6.7
137.73503	0.7
149.02295	0.8
151.04005	18.8
157.01379	2.1
175.02470	1.8
207.05084	1.0
225.07660	1.3
231.05112	1.8
249.06155	26.9
250.06575	2.1
267.07208	53.9
268.07568	3.4
287.86676	0.7
300.42044	0.7
341.08450	0.8
383.09802	2.6
401.10883	100.0
402.05978	0.8
402.11292	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60907	1.0
59.01382	3.5
68.99809	2.3
69.03451	1.3
69.92686	5.7
71.01379	7.6
72.99323	2.6
73.02954	5.1
75.00877	2.2
81.96609	1.2
85.02944	8.7
87.00883	64.0
89.02480	1.6
94.23638	1.1
96.45348	1.3
97.02990	1.8
99.00900	3.2
101.02454	4.8
107.05035	1.3
109.02957	1.3
110.54573	1.1
111.00872	3.0
113.02445	7.8
121.02970	1.3
122.09260	1.0
122.49282	1.1
123.00967	1.5
123.82735	1.1
125.02443	1.6
129.01981	1.7
131.03529	3.4
138.03172	1.8
149.02431	4.9
151.00380	2.9
151.03998	4.6
153.05573	2.8
161.02452	4.6
163.04083	1.6
164.04800	22.7
165.05576	7.2
166.02715	9.5
166.06175	1.4
169.01370	1.1
173.02417	1.4
174.03157	1.3
176.04755	3.1
177.01917	3.4
177.05534	1.2
177.65318	1.0
178.02704	1.3
179.02025	1.9
179.03542	19.1
179.07144	52.7
180.03915	1.6
180.07468	4.2
181.05086	12.6
184.57518	1.1
187.04013	2.6
188.04694	1.4
191.07213	1.6
192.04253	3.4
193.05096	8.7
194.05853	16.5
203.03540	2.6
205.05022	2.3
207.03000	2.8
207.06543	3.3
209.08182	25.6
210.08508	1.9
220.03918	1.6
222.05362	1.9
231.02959	1.9
233.07913	1.3
234.05426	2.0
235.06018	1.9
237.07637	5.8
246.05386	1.4
249.07970	2.0
250.04753	3.1
261.07626	4.0
265.07181	100.0
266.07486	9.0
267.07254	6.2
275.02014	1.2
276.02420	1.6
277.07196	2.0
279.08664	1.3
291.08792	1.9
294.95181	1.1
295.08221	2.3
300.99948	2.1
303.22641	1.5
309.09882	1.4
325.09286	28.6
326.09598	3.2
349.94818	1.3
383.09958	1.2
401.10873	94.0
402.11246	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	401.0878
Annotation	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.42105	0.7
57.35655	0.6
59.01390	4.7
65.00349	1.1
65.03946	0.6
71.01375	1.2
71.60828	0.7
76.55577	0.6
84.51868	0.6
85.02998	0.7
89.03980	0.7
89.67073	0.6
90.39993	0.6
91.01896	1.0
93.03498	1.6
95.01364	1.2
95.05022	6.0
96.96019	2.3
101.02418	0.7
101.03927	0.9
105.03490	1.0
105.96403	0.7
108.02229	0.9
109.02937	1.9
112.06419	0.7
117.03477	3.4
119.01402	1.5
119.04990	0.8
121.02958	11.1
121.03745	1.2
122.70850	0.8
123.00864	1.0
124.01649	1.5
125.02490	1.3
127.07666	2.7
132.69432	0.8
133.02963	2.1
134.00092	1.0
135.00943	0.7
135.04533	1.0
136.01668	1.2
137.02434	2.1
138.03146	1.1
145.02977	3.8
146.03722	1.8
147.00911	2.8
147.04533	1.6
148.01663	2.2
149.02463	1.5
152.01195	0.8
157.02953	1.0
158.03775	1.2
160.01640	0.9
161.02443	4.7
161.99614	1.4
162.03122	0.8
163.00389	9.0
163.04015	1.2
164.01131	3.4
165.01941	2.3
173.02451	11.9
174.03252	11.2
175.00343	2.7
175.03894	1.5
176.01157	20.0
177.01912	5.4
178.02510	0.9
178.99896	1.9
181.06673	0.9
183.04694	1.0
185.02385	4.9
186.03116	1.2
188.01126	0.9
189.01932	7.6
190.02711	11.7
190.99886	2.3
191.03423	2.0
192.00652	1.6
193.01382	1.0
195.04514	0.9
197.06229	0.9
199.03943	1.2
201.01936	10.7
202.02724	41.0
202.99879	2.0
203.03255	4.7
204.00699	3.7
205.01402	3.0
206.02177	2.2
206.99355	2.9
208.00150	16.3
209.00772	3.4
209.05989	1.1
211.03964	1.8
211.07539	0.9
212.04739	0.9
213.01857	0.9
213.05617	1.8
214.02730	1.3
215.03516	2.1
215.07043	1.0
217.01392	5.8
218.02164	0.7
218.99373	3.4
220.00198	1.3
221.00879	2.3
222.01637	1.0
223.04099	0.9
223.07587	1.0
224.04669	1.0
224.08255	0.6
225.05528	1.9
225.09129	0.9
226.02782	1.3
227.03465	4.6
227.07098	1.0
229.01419	7.7
230.02196	29.1
231.02557	2.9
232.00159	8.4
233.00847	3.5
233.97992	1.8
235.07784	0.9
237.05417	1.3
238.06189	1.0
239.03627	0.8
240.04285	3.9
241.01418	0.7
241.05128	7.1
241.08743	1.3
242.05565	1.0
243.02979	1.3
243.06630	0.9
245.00919	18.1
246.01515	3.9
246.98828	6.3
247.99634	8.4
251.07188	0.9
253.05055	2.1
253.08751	2.0
254.05768	4.4
255.02905	1.2
255.06671	6.1
256.06976	0.7
257.04495	2.0
259.99591	3.1
261.00317	5.2
265.05103	0.9
267.03000	0.8
268.03680	1.5
269.04556	2.7
269.08160	6.4
270.08853	2.8
271.06082	1.3
273.00436	4.5
274.01215	17.5
275.01770	2.9
279.06680	0.9
281.04565	4.4
281.08176	2.0
282.05359	5.9
283.05847	1.5
285.04074	3.6
286.04691	1.2
296.07150	0.9
297.07678	22.4
297.11026	1.5
298.08414	14.3
299.05573	3.7
299.08701	1.1
300.06204	1.1
301.10831	0.9
311.09357	1.6
313.07343	3.4
313.10617	1.0
314.07776	1.2
325.07101	10.6
326.07486	1.4
327.05319	0.9
329.10324	10.6
330.10556	1.5
341.06601	1.4
357.06110	0.8
357.09879	6.3
358.10126	1.0
369.06241	1.0
373.09268	32.1
374.09705	3.7
401.08762	100.0
401.19925	2.3
402.09100	16.4
402.13614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02703	0.9
59.01383	17.5
69.53404	6.6
71.01394	15.8
72.98927	1.9
72.99314	23.7
75.00889	2.3
78.48176	0.9
85.02959	3.2
86.14449	1.0
89.02444	5.0
92.05056	7.4
95.01405	1.2
101.02458	2.8
109.44157	1.0
113.02460	3.5
119.03510	2.4
120.04552	3.9
120.08218	1.1
128.05069	19.9
129.05466	1.0
130.06633	91.0
131.03777	8.4
131.06967	6.3
132.04543	1.8
133.06575	1.2
144.04561	4.0
146.06129	28.6
147.06424	1.7
148.04057	5.4
148.07689	4.0
156.45178	0.9
158.06120	19.3
159.06422	2.2
172.04060	3.7
174.05617	2.2
176.07166	32.2
177.07460	2.0
220.06160	56.1
221.06494	3.6
249.06206	1.8
265.58163	0.9
267.07254	2.5
300.99976	1.4
372.12509	1.0
400.12500	100.0
401.12979	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	400.9242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46819	0.6
54.76183	0.6
57.03446	2.9
59.01139	0.7
59.01382	8.6
59.88393	0.6
65.00328	0.7
67.51396	0.5
69.38478	1.1
69.38886	4.4
71.01390	4.7
73.02953	1.3
79.95746	0.9
83.01406	1.2
85.02946	2.7
87.00880	0.9
88.42796	0.7
89.02436	2.9
95.01350	1.1
96.96026	4.6
98.95599	0.7
99.00914	0.8
99.04498	0.8
99.92605	1.8
101.02429	3.1
101.67089	0.7
103.04062	0.7
107.01418	1.3
109.02954	1.9
111.00900	0.7
111.02040	0.7
113.02439	1.6
117.05605	0.8
119.03509	0.8
120.99632	1.4
121.02982	7.9
123.00950	1.3
123.04533	1.6
125.02467	8.2
125.09663	0.7
132.02196	2.1
135.04520	1.9
137.02451	2.3
138.03168	0.8
139.04021	1.2
142.04047	0.6
144.02164	1.6
147.00867	1.1
149.02411	0.8
151.03970	1.1
153.01949	1.0
160.01668	2.8
161.02379	1.6
161.04550	0.9
163.00316	0.9
165.01952	1.0
167.03477	2.3
169.01457	11.1
172.01671	9.0
173.02060	0.8
175.03963	1.2
177.01865	1.2
179.07155	1.7
179.10756	1.1
182.08948	0.8
188.01172	1.5
199.00352	0.8
200.01180	3.6
205.01465	0.8
211.02435	0.8
216.00671	8.2
221.11815	1.5
228.00670	7.6
229.01080	0.8
230.99272	0.7
242.99269	1.8
244.00098	8.9
245.00621	1.2
270.93323	2.0
270.98837	6.0
271.04300	0.7
271.99631	10.7
273.00040	1.0
282.98886	8.5
283.99298	1.0
298.92944	2.6
298.98349	6.8
299.99124	100.0
300.99533	9.3
303.04968	0.9
313.05649	5.2
326.92505	1.1
351.13986	0.6
354.91876	7.8
355.92310	1.8
357.02527	1.4
375.37323	0.7
382.91339	14.3
383.92105	22.4
384.92313	3.8
400.92426	65.7
401.10428	10.1
401.92688	11.1
402.11917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0878
Annotation	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate
Peak:m/z	Relative Intensity
56.16148	0.4
57.03456	0.8
57.46977	0.3
59.01373	1.2
59.17489	0.4
60.38927	0.4
71.05076	0.4
97.02960	0.4
99.00965	0.4
101.23095	0.4
109.02915	0.5
121.02965	4.5
125.02441	4.7
141.01918	1.3
159.90257	0.4
161.02353	0.4
177.01930	1.7
189.01927	0.6
190.02704	1.5
198.03206	1.1
201.01837	0.5
202.02705	1.1
203.03333	0.6
205.01471	0.6
205.25047	0.5
211.03905	0.6
213.01825	0.7
214.02553	0.5
215.03546	1.5
216.04239	1.4
217.01389	0.5
218.02229	1.8
225.02113	0.5
226.02702	0.9
227.03395	2.3
228.00650	1.6
228.04204	1.0
229.01427	1.1
229.05032	0.7
229.23573	0.4
230.02206	1.1
230.05766	0.7
239.03549	0.4
240.04279	1.4
241.05084	0.9
242.02196	1.7
243.02922	4.4
244.03671	1.2
245.00891	1.7
246.01663	0.8
251.03424	0.6
252.04114	0.5
253.01291	0.5
254.02255	1.0
255.02887	1.9
256.03543	0.8
257.00812	2.2
258.01767	1.9
259.02463	1.6
267.02896	2.2
267.10434	0.6
268.03879	2.5
269.04440	0.8
270.01743	1.5
271.02441	3.7
272.03183	1.6
273.00418	5.3
273.11349	1.0
274.01199	25.2
275.01508	2.3
281.00906	0.5
281.04697	0.4
282.01642	1.6
283.02505	2.6
283.09778	1.8
285.00479	0.5
285.11310	1.2
287.01941	0.6
291.19824	0.4
295.09818	0.6
296.03226	1.2
297.04062	1.9
299.01993	9.8
300.02710	10.9
301.03091	1.0
301.10880	1.0
311.05673	1.0
311.09164	6.3
312.09570	1.0
313.03687	0.8
313.07272	1.0
313.10837	1.0
314.04343	6.3
315.04813	0.9
315.08508	0.5
317.13864	0.5
327.05173	0.5
329.10248	1.9
339.08740	8.2
340.09235	2.4
341.09982	0.5
357.09799	100.0
358.10162	13.4
359.14874	2.0
401.08771	44.3
401.15594	1.5
401.19412	1.0
401.23712	0.9
402.09122	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	399.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03446	0.9
59.01375	0.7
65.00314	0.5
67.34818	0.4
68.85725	0.3
70.17017	0.4
70.17363	1.6
71.05025	4.7
71.56913	0.3
76.49475	0.4
77.03971	0.5
79.01891	2.7
81.34390	0.4
83.01391	0.4
93.03439	0.8
95.05033	12.1
97.02960	3.1
107.71699	0.4
115.41957	0.5
121.02959	2.5
122.03749	0.9
135.04532	1.5
136.05217	0.7
137.02559	0.4
139.04021	15.4
149.06050	0.5
162.03273	0.5
165.01910	2.4
166.02736	1.8
180.04266	0.6
189.05603	0.5
193.05115	0.5
291.15918	0.4
301.21829	1.5
355.26422	19.2
356.26755	3.8
399.25400	100.0
400.25714	17.5
403.82022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03456	1.2
57.16755	0.2
59.01384	0.5
65.00334	0.5
69.03442	0.3
69.55368	1.5
71.05033	5.5
77.03964	0.4
79.01907	3.0
80.02695	0.4
81.03465	0.5
83.01358	0.3
83.05064	0.3
93.03481	0.8
95.05034	13.1
96.05383	0.5
97.02966	3.3
97.06600	0.5
107.05045	0.5
109.02959	0.4
116.81216	0.2
121.02969	1.8
122.03769	0.6
135.04546	1.4
136.05316	0.7
137.06049	0.2
138.03200	0.4
139.04027	15.6
140.04369	0.5
148.05287	0.3
149.06090	0.6
165.01938	2.4
166.02757	1.7
175.04033	0.3
177.09145	0.3
179.03508	0.3
180.04341	1.2
189.05603	0.4
191.10802	0.3
193.05055	0.7
205.12421	0.2
207.06714	0.4
223.59395	0.2
235.09770	0.4
245.10190	0.3
250.11998	0.3
277.21780	0.2
301.21738	0.9
313.25363	0.6
340.23779	0.3
343.19373	0.3
355.26425	20.6
356.26804	3.9
381.24405	0.5
397.23895	0.2
399.25418	100.0
400.25757	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	399.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.9
65.41587	0.3
69.03437	0.5
70.34561	0.7
70.34956	0.7
75.06481	0.3
75.24034	0.4
81.03450	1.0
83.01395	1.0
87.68034	0.3
89.00330	0.5
91.67590	0.3
93.03435	0.8
95.01398	4.1
96.02155	1.2
97.02950	1.8
107.01396	0.5
111.00879	0.6
111.04529	0.8
121.02930	1.0
122.03761	0.4
123.00906	2.5
124.01668	28.3
125.02431	1.2
135.04504	1.3
137.02475	4.2
138.03197	1.1
139.00352	0.9
139.04013	10.7
140.04327	0.4
149.99577	1.0
151.00371	4.4
151.03958	0.5
152.01158	24.4
153.01508	1.4
154.34869	0.4
154.92772	0.4
165.01938	14.9
166.02724	7.8
167.03198	0.5
179.03497	12.9
180.04124	1.2
191.10866	0.7
193.05064	3.2
207.06657	0.7
219.10362	0.5
221.08185	1.6
235.09746	3.4
236.10315	0.8
245.15561	0.6
249.11284	0.8
275.12823	0.9
285.18674	0.4
289.14441	2.1
301.14386	0.5
303.16098	0.4
315.15979	1.6
316.16425	0.5
329.17633	1.0
330.18188	0.9
341.17569	0.6
343.19019	0.4
355.19064	2.7
369.20697	1.0
370.21432	0.4
383.22308	1.0
399.25394	100.0
400.25729	16.7
412.53867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
56.41880	0.2
57.03447	0.9
61.49053	0.2
63.10336	0.2
68.04934	0.2
79.01890	1.9
79.05527	0.2
81.03458	0.6
83.05009	0.2
85.06597	1.0
87.04524	1.5
87.64904	0.2
88.04826	0.2
95.05031	0.5
97.02950	0.2
97.06622	0.4
98.19833	0.4
99.08169	3.1
105.07144	0.2
107.05021	0.7
110.74996	0.2
111.04537	0.2
111.08167	0.6
121.06625	0.9
123.08176	12.0
124.08488	0.6
125.09737	0.4
135.04480	0.3
135.11942	0.2
149.06107	1.8
150.06836	0.3
152.04832	0.9
153.78865	0.2
163.07642	1.3
164.08476	0.2
165.09192	0.3
166.87325	0.2
167.07147	10.9
168.07516	0.6
177.09276	0.2
179.03456	0.4
180.04323	0.4
183.70483	0.2
189.05585	0.3
193.05086	1.2
194.05893	0.5
205.12396	0.3
207.06642	0.6
221.08134	0.2
222.08792	0.2
231.17532	0.5
247.16940	0.4
273.18604	0.6
285.22244	0.5
291.16232	0.2
339.23065	0.2
355.26440	22.9
356.26773	3.8
369.27173	0.2
381.24493	0.6
399.25424	100.0
400.25751	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
69.54090	4.7
79.01899	2.3
87.04520	1.9
95.05004	0.6
98.20592	0.9
99.08148	4.0
107.05055	1.1
121.06603	1.1
123.08162	12.3
143.14012	0.7
149.06035	1.8
149.48798	0.6
152.04825	1.0
163.07591	0.9
164.55711	0.7
167.07137	11.6
193.05020	2.1
231.17554	0.8
355.26437	24.5
356.26660	5.8
381.24615	0.8
399.25409	100.0
400.25711	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	399.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03447	1.5
60.10839	0.4
69.67300	2.5
71.05026	4.0
79.01887	2.3
79.05741	0.4
93.03460	0.9
95.05032	10.8
97.02935	2.4
97.06610	0.4
107.04989	0.3
121.02958	1.4
122.03762	0.5
135.04532	1.4
136.05305	0.6
137.02492	0.4
139.04010	14.2
140.04280	0.6
165.01930	2.5
166.02727	1.3
180.04257	0.8
191.10867	0.5
193.05081	0.6
301.21738	1.6
313.25415	0.5
329.64029	0.4
355.26398	20.7
356.26794	4.1
381.24338	0.9
399.25391	100.0
400.25711	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2179
Annotation	Lucidone B
Peak:m/z	Relative Intensity
56.29148	0.5
57.03437	0.7
65.00327	0.7
68.99842	2.6
71.05008	1.5
71.70615	0.5
77.03967	0.5
79.01901	5.1
81.03455	1.2
83.11936	0.5
95.05021	1.7
97.02924	2.1
103.01858	1.0
104.96339	0.5
105.03464	0.9
121.02924	1.4
123.04489	1.5
123.08154	0.6
124.01643	0.8
135.04562	0.6
137.02373	0.7
138.03108	0.5
139.04025	4.0
149.02388	0.6
152.01118	1.7
161.02563	0.7
163.03996	1.2
165.01923	3.4
166.02640	2.2
167.03528	6.2
175.03946	0.7
176.04749	0.9
179.03406	0.9
190.99886	2.8
193.00018	0.5
193.01453	7.3
194.02133	1.4
196.36609	0.4
204.04219	2.3
206.02184	2.7
207.02921	1.1
208.03606	0.6
219.02911	0.5
221.04483	1.0
226.01143	0.7
229.11482	0.8
256.52072	0.5
265.22498	0.5
273.18503	1.7
289.10825	0.7
291.12363	1.1
297.18512	0.6
304.45526	0.5
309.21982	0.6
327.23209	1.3
353.21130	2.5
354.21582	0.9
355.22653	0.8
355.26282	1.4
371.22198	1.8
381.20575	1.9
381.25024	0.6
397.20187	13.4
398.20819	2.5
399.21613	100.0
400.21960	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	399.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48604	0.3
51.74807	0.3
57.03185	0.6
57.03452	9.9
69.86677	1.6
76.49970	0.3
81.03449	2.6
83.01393	12.5
84.01711	0.4
84.79585	0.4
107.01398	0.8
121.02944	0.5
123.03719	0.3
123.04491	1.7
124.77278	0.3
125.02452	100.0
126.02784	3.4
139.03947	0.4
149.02475	1.1
151.00374	0.9
167.03499	1.6
273.18573	2.7
274.18918	0.4
300.06592	0.3
355.22998	0.3
380.40555	0.4
399.21808	5.6
400.22040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.6
58.44712	0.2
65.00325	0.6
68.19674	0.2
81.03462	3.0
83.01397	11.4
85.06594	1.0
93.03458	0.3
95.43894	0.3
97.02966	0.3
97.13367	0.3
107.01398	0.8
111.04572	0.3
111.08142	0.3
112.89217	0.3
121.02974	1.1
123.04541	1.8
125.02460	100.0
126.02793	4.4
149.02487	1.7
151.00391	0.5
153.05589	4.7
167.03535	1.7
168.44032	0.2
229.77132	0.3
273.18573	2.5
274.18924	0.3
348.18246	0.3
399.21765	4.1
400.21991	0.7
415.64200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2177
Annotation	Marinobufagenin
Peak:m/z	Relative Intensity
51.80537	0.8
57.03445	1.8
59.01368	1.4
70.22126	3.5
71.05012	6.2
81.03490	0.9
82.08371	0.8
83.05038	3.6
85.02953	2.6
95.01390	0.8
95.05032	0.9
97.06636	0.9
99.04525	4.8
107.05038	2.3
109.02960	4.9
111.04511	2.3
122.03770	1.0
123.04568	5.5
125.02453	2.2
125.06058	2.1
127.04023	8.7
136.05312	1.5
137.02435	1.4
143.30240	0.9
149.02434	2.3
151.00458	0.9
151.04037	6.7
152.04774	3.3
153.01923	2.7
153.05557	1.7
163.04102	1.8
164.04817	4.9
165.05634	1.0
167.03534	7.1
177.01921	2.0
177.05544	1.4
178.02686	6.8
178.06435	1.7
179.07059	0.9
181.05084	2.6
182.02245	1.5
191.03479	1.0
191.07175	4.9
205.05060	3.3
206.09442	1.8
207.06619	1.1
209.08170	6.3
216.91774	0.8
233.08252	1.2
251.09319	1.1
260.14130	1.1
263.12973	5.2
288.13733	1.8
289.14493	1.4
306.14673	1.8
329.21582	0.8
339.19614	4.7
340.20087	1.7
343.19031	4.8
353.21140	3.8
355.22635	4.2
357.20688	2.6
374.64291	0.9
381.20721	20.6
382.21219	4.1
384.19308	1.9
394.24976	0.9
399.21768	100.0
400.22128	17.7
410.99368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2178
Annotation	Lucidone B
Peak:m/z	Relative Intensity
56.33888	0.4
57.03444	2.0
59.01385	0.9
63.37895	0.4
65.03964	0.4
71.05022	4.6
81.03460	0.9
83.05048	1.7
85.02951	1.8
95.05036	0.6
97.02966	0.8
97.06606	0.5
99.04530	3.8
107.05015	2.2
109.02974	4.5
109.06586	0.8
111.04512	2.0
122.03753	0.9
123.04519	3.8
125.02463	1.6
125.06110	1.8
127.04025	5.7
128.04272	0.6
135.04568	0.9
136.05373	0.6
137.02399	1.1
138.03275	0.6
149.02403	0.5
149.06050	0.5
150.03296	0.6
151.03999	4.2
152.04744	2.0
153.01909	1.1
153.05583	2.2
154.02710	0.6
161.21429	0.6
163.03989	1.2
163.07672	0.5
164.04834	2.3
167.03479	2.4
169.05153	0.5
177.01945	1.4
177.05589	1.1
177.09355	0.5
178.02737	5.1
178.06372	0.8
179.03365	0.6
182.02171	0.8
191.03415	0.5
191.07048	1.8
192.04193	0.7
196.03743	0.6
205.05019	2.0
206.09459	1.8
209.08154	0.9
233.08157	0.9
234.08949	0.8
263.12878	0.7
271.17093	0.6
274.64496	0.4
325.14764	0.5
339.19672	3.2
340.20261	1.0
343.19174	3.7
344.19653	0.7
353.21332	2.5
355.22675	4.3
355.26306	0.5
356.23056	0.9
357.20749	2.8
358.21213	0.6
381.20706	16.0
382.20981	2.5
384.19409	1.3
399.21762	100.0
400.22040	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	399.2176
Annotation	Lucidone B
Peak:m/z	Relative Intensity
57.03431	0.5
59.01369	0.7
61.98827	2.4
69.60318	3.1
75.76147	0.5
79.01892	0.8
85.06594	1.4
97.02949	1.0
99.04520	0.7
107.05043	2.6
109.02962	0.6
109.06610	2.3
111.04510	1.7
121.06569	0.5
123.04535	2.5
125.02464	0.9
127.04007	1.4
135.04538	0.6
135.08136	0.9
147.08133	0.5
149.02466	0.9
150.03247	2.0
151.04013	8.8
152.04802	3.0
153.05571	9.6
164.04785	1.0
165.01907	0.9
165.05521	0.7
167.03590	0.5
172.56731	0.4
177.01883	0.9
178.02742	1.3
178.06345	1.1
179.03465	2.7
179.10776	0.6
180.04314	5.6
181.04697	0.5
189.09192	1.1
189.12872	0.8
189.25406	0.4
191.07190	0.4
191.10721	0.6
192.04271	0.9
193.05049	0.9
194.05835	1.5
205.05038	5.6
205.08641	0.7
206.05826	0.6
207.06618	3.1
207.10033	0.4
208.07216	0.6
212.03183	0.7
219.06447	0.5
221.08109	0.7
233.08202	1.2
234.09032	0.8
235.09695	1.0
236.10442	1.2
245.15523	3.3
247.17361	0.5
260.14105	0.7
261.14972	0.8
271.13425	0.7
275.12888	0.8
277.72537	0.6
288.49252	0.4
289.14444	12.8
290.15146	3.7
291.15955	0.7
355.22910	1.1
381.20581	0.6
399.21756	100.0
400.22098	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	399.1298
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
54.63572	0.7
57.03453	16.0
59.01381	6.7
67.01884	1.1
69.03467	1.7
69.53810	5.1
71.01381	7.6
72.99314	2.8
73.02955	1.6
75.00883	4.6
75.64854	0.7
81.03471	5.5
82.94699	0.8
83.01395	1.5
85.02954	4.9
87.00874	1.2
89.02465	1.5
95.01376	1.6
96.96027	5.6
97.02985	1.3
98.20554	1.7
99.00884	1.6
99.04527	7.4
101.02444	6.7
107.01392	8.5
108.02213	4.4
109.02966	2.0
111.00897	2.0
113.02461	2.2
121.02946	3.3
123.00896	10.2
123.04567	0.8
123.54071	0.7
124.01698	2.0
125.02460	30.8
126.02797	2.1
129.01978	2.3
135.04544	1.0
136.98885	1.2
137.02444	1.3
139.00392	4.2
139.04022	2.8
140.01154	1.9
141.02007	1.3
145.03038	1.0
147.04567	0.9
151.00375	5.7
151.04031	1.4
152.01138	6.7
153.01894	2.4
159.02992	1.8
161.18335	0.7
166.06389	4.8
167.03500	1.0
168.00670	4.4
169.01433	54.1
170.01788	2.5
175.04001	0.8
177.04066	18.9
177.05519	1.7
179.03584	1.1
181.08728	8.1
182.08978	0.9
193.01483	1.2
205.67342	0.7
211.02448	2.4
230.99768	0.7
232.99382	1.6
271.04675	1.0
311.09634	0.8
316.03421	0.8
329.05118	7.0
399.12982	100.0
400.13290	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01883	0.6
57.03439	1.5
59.01383	7.8
65.00337	0.4
67.01905	1.6
68.02132	0.3
68.99809	0.3
69.03461	0.7
69.31189	0.3
69.72301	1.6
69.72717	0.5
71.01382	5.7
72.99297	1.2
72.99698	0.3
73.02950	1.1
75.00854	0.6
79.01875	1.2
81.03454	0.7
83.01389	1.4
84.43465	0.3
85.02955	2.1
87.00887	0.6
89.02444	2.5
95.01392	2.5
96.95971	0.5
97.02969	1.1
98.14816	0.4
99.00890	1.0
99.04507	0.6
101.02463	3.2
107.01383	4.5
110.00087	0.5
111.00887	3.4
113.02455	2.3
119.03506	0.4
121.02989	0.4
123.00891	17.9
124.01658	1.4
125.02451	20.5
126.02760	0.8
127.00391	1.4
129.01962	0.6
130.95367	0.3
136.98808	1.8
137.02437	1.0
139.00389	5.9
140.01184	5.2
141.01952	2.6
149.63350	0.3
151.00374	12.0
151.03984	0.4
152.00713	0.4
153.01907	0.7
159.02971	0.3
165.02095	0.4
166.06367	0.5
167.99216	0.3
168.00636	5.3
169.01433	24.6
170.01773	1.4
177.01857	0.5
177.04048	2.7
181.08716	0.7
183.03036	0.5
189.02023	0.4
190.02757	0.5
193.01437	0.4
205.01360	0.3
211.02469	2.1
217.01489	0.5
218.02135	0.3
222.08948	0.4
223.02486	0.3
245.00943	0.5
263.68729	0.3
271.04645	1.8
301.00122	1.6
313.05609	0.9
323.54419	0.6
324.79083	0.3
329.04953	0.4
355.04553	6.3
356.04993	0.7
399.12952	100.0
400.13315	13.0
400.18759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75024	1.6
57.03447	5.6
61.98835	100.0
63.11133	1.5
65.00318	7.3
65.34570	1.4
71.05031	2.8
71.31400	1.7
72.86681	1.5
83.01380	4.0
108.49794	1.7
125.02457	45.8
139.04019	21.3
146.58435	1.6
175.10855	1.5
214.17848	1.5
218.57484	1.5
221.08249	3.3
289.41626	1.9
325.21841	1.6
357.20560	1.7
359.65457	1.9
368.29196	1.9
371.12936	1.8
398.20636	19.7
398.25452	2.9
399.22021	26.8
406.26733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0722
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
58.85216	0.3
61.89035	0.3
69.49283	0.3
69.95831	0.8
69.96248	1.0
110.81926	0.4
120.63947	0.3
123.00896	0.5
161.02458	0.4
163.00429	0.4
171.04468	0.3
174.03291	0.6
177.01958	1.1
186.03148	0.5
189.01965	0.6
190.02742	2.4
193.01411	3.7
197.05991	0.4
198.03203	0.6
199.04028	0.6
200.01126	1.0
201.01945	0.5
202.02704	2.0
203.03487	1.1
205.01382	0.6
209.09958	0.5
211.04088	0.5
212.04793	0.5
213.02060	0.6
214.02713	0.9
216.00574	0.5
216.04277	0.5
217.01408	0.6
218.02190	1.9
221.00909	6.1
222.01247	0.5
224.04875	0.6
225.05516	0.4
226.02710	0.6
227.03493	1.1
228.00645	1.5
228.04166	0.5
229.01364	1.2
230.02156	1.6
231.02876	0.8
235.04028	0.5
239.03471	0.4
241.01526	0.7
241.05063	0.7
242.02191	1.9
243.02962	1.1
245.00929	1.4
246.01721	1.0
251.03387	0.6
252.04167	0.7
253.05040	1.1
253.08766	0.4
254.02325	0.6
254.05699	0.4
255.02908	0.9
255.10272	0.5
256.03857	0.5
257.00958	2.0
258.01636	3.2
259.02438	1.4
263.03473	0.5
265.05045	0.6
266.05820	0.4
267.02933	0.7
267.06677	0.4
269.04547	0.9
269.08029	0.4
270.01727	0.8
271.02481	1.8
272.03018	0.4
272.09399	0.4
273.00262	2.1
274.01199	28.0
275.01456	2.5
279.03009	2.3
280.03641	0.7
281.04648	1.5
281.08200	1.6
282.01654	1.0
282.05002	1.0
283.02515	2.4
283.09781	1.1
284.03177	1.6
285.00562	0.8
286.01117	0.6
287.01950	2.7
288.02786	1.2
291.03220	0.5
293.04816	0.8
293.08054	0.6
297.03925	0.8
298.04773	0.7
299.01987	4.3
299.09186	1.1
300.02686	2.2
301.03336	0.5
308.03363	2.2
309.03986	1.4
309.07666	3.2
311.09332	0.6
312.02756	2.3
313.03152	0.5
323.05588	1.2
324.67514	0.4
325.03439	2.5
326.04224	1.6
327.08667	0.6
337.07184	5.1
338.07834	1.3
340.05756	0.7
355.08228	100.0
356.08600	13.6
399.07230	9.7
400.07520	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	398.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44167	1.9
57.03426	2.3
59.01376	4.0
61.98835	90.8
62.57335	2.0
69.49961	15.8
71.05032	3.0
83.03751	1.9
83.05024	2.7
95.53085	1.9
97.02975	3.2
100.92052	2.1
109.02962	2.6
123.04581	2.9
125.02441	11.6
132.63281	2.3
139.04024	17.2
153.05571	4.5
154.65050	2.3
156.65102	2.1
167.03610	2.4
172.71559	2.2
180.04114	2.4
223.25685	2.3
276.00003	2.2
327.49396	2.3
353.17307	4.4
354.17801	9.7
354.21768	3.9
355.19232	2.3
357.20691	3.3
398.20560	100.0
398.25854	4.7
399.21762	44.5
399.26447	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	398.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45862	1.6
61.98834	100.0
64.50669	1.5
69.72507	12.1
73.95013	1.8
74.62928	1.8
78.50568	1.9
96.58763	1.8
99.39190	1.7
139.03976	3.6
141.33734	2.0
153.05524	3.1
240.88103	2.1
264.67667	2.1
280.20084	1.7
335.18570	14.2
399.17587	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	398.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
61.67396	0.6
61.98836	50.4
62.28600	0.8
63.59293	0.6
66.59405	0.8
70.18503	3.4
71.05022	0.8
83.01381	0.9
85.06615	1.6
99.04508	1.5
107.05072	1.7
109.02926	1.8
109.06630	1.9
123.04527	1.6
124.21140	0.7
125.02465	3.6
126.45176	0.7
127.04034	1.8
135.04440	0.8
137.09666	0.9
139.04022	1.2
149.20271	0.7
150.03151	0.9
151.04019	5.6
152.04771	2.1
153.05582	8.6
161.09816	1.0
165.05579	1.3
167.03482	1.3
177.01880	0.9
178.02664	1.3
178.06224	1.3
179.03481	2.3
180.04294	5.1
187.67569	0.7
194.05791	1.5
205.05019	4.9
207.06587	2.6
227.22604	0.8
233.08177	1.1
235.09863	1.1
245.15387	3.3
288.13828	1.0
289.14465	8.0
290.15155	2.0
291.16415	0.8
317.14056	0.9
339.19937	1.0
341.17804	1.5
355.22678	2.0
381.20609	2.2
398.20731	3.9
399.21738	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	397.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20136	0.4
53.19242	0.4
55.01871	0.6
57.03441	1.1
59.01384	0.6
62.47396	0.4
71.05029	4.6
79.01892	2.8
83.01398	0.7
93.03462	0.6
95.05029	8.5
95.10259	0.4
97.02932	3.0
97.06583	0.4
107.04987	0.6
109.02945	1.2
121.02956	1.9
135.04492	0.9
137.02429	1.1
137.06113	0.4
138.03217	2.8
139.04030	13.0
148.58540	0.5
149.06075	1.4
151.04001	0.5
165.01944	5.7
166.02724	12.3
167.03111	0.5
179.03551	0.7
180.04294	6.4
189.05565	0.7
191.10747	0.7
193.05070	6.9
194.05727	1.2
198.01674	1.1
205.12228	0.7
207.06645	2.2
221.08211	0.4
235.09801	1.4
249.11392	2.6
250.11916	1.1
261.18478	0.6
299.20142	0.8
304.16730	1.4
305.17401	0.5
311.23618	0.6
353.24890	9.8
354.25146	1.6
397.23837	100.0
398.24191	18.7
398.28210	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	397.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03442	0.9
59.01378	0.5
69.67683	2.2
69.68098	1.4
71.05019	4.0
79.01892	2.3
95.05035	9.2
97.02937	2.8
97.06568	0.9
97.52512	0.5
98.19870	0.9
109.02908	0.6
121.02958	2.2
129.06572	0.6
135.04596	1.0
137.02440	0.6
138.03217	2.0
139.04031	11.8
149.06078	0.9
165.01955	4.2
166.02736	9.1
178.72012	0.6
179.90221	0.5
180.04295	4.4
193.05098	6.3
198.01668	1.4
207.06541	1.2
235.09819	1.3
249.11324	1.7
297.18741	1.0
297.82611	0.5
299.20172	0.6
353.24860	7.6
354.25134	1.3
397.23837	100.0
398.24182	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	397.2386
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
54.07360	0.6
55.01876	0.7
57.03439	0.6
57.21938	0.6
60.80233	0.5
76.01679	0.6
79.01900	2.0
85.06605	1.2
87.04519	1.6
95.05080	0.8
98.19833	1.1
98.86320	0.6
99.08175	3.5
101.91406	0.5
109.02955	0.6
111.04575	0.8
114.84803	0.7
121.06593	1.3
123.08181	10.5
145.14420	0.5
149.06084	1.5
152.04848	0.7
165.09294	0.7
167.07146	9.7
179.03513	0.9
193.05090	3.0
194.05843	2.4
207.06651	2.0
208.07393	1.7
221.08199	2.0
222.08760	0.7
229.15852	0.9
235.09840	1.3
241.89674	0.6
249.11336	0.9
256.92093	0.6
290.03827	0.6
353.24881	10.7
354.25073	1.0
397.23840	100.0
398.24191	17.2
398.28067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31064	1.6
55.29617	1.7
59.01383	5.3
61.98838	100.0
64.38938	1.5
66.47325	1.9
69.74003	1.6
71.05016	2.9
124.01757	2.0
125.02474	2.2
139.04031	14.8
153.05594	6.2
155.87596	1.9
198.52875	1.9
275.12952	5.0
285.84402	1.8
313.95306	1.7
321.72232	1.9
335.15103	12.9
335.18735	3.2
351.57132	1.9
398.20529	9.1
399.18372	3.4
399.22025	20.3
399.26477	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	397.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10169	0.3
57.03450	10.6
62.43328	0.4
63.02402	0.5
65.00323	0.4
69.88770	1.6
69.89127	0.3
75.61604	0.3
81.03458	2.5
83.01393	10.1
98.08495	0.3
107.01389	0.8
121.02936	0.7
123.04519	1.7
125.02451	100.0
126.02795	4.1
149.02461	1.2
151.00348	1.1
153.05502	0.5
153.21001	0.3
164.11952	0.3
167.03526	2.5
177.39566	0.3
177.45578	0.4
271.17007	2.0
272.17322	0.5
288.64563	0.4
345.79663	0.4
367.74017	0.4
397.20120	3.8
398.20575	0.6
423.55179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2024
Annotation	Taprostene
Peak:m/z	Relative Intensity
57.03441	2.0
59.01371	2.1
61.98835	31.0
65.00326	0.9
68.99823	0.7
71.01386	0.8
71.60258	0.7
71.60738	0.8
71.75492	0.6
78.21336	0.7
81.03469	1.2
83.01384	1.5
83.05027	1.1
86.62573	0.7
97.02985	0.9
97.06566	0.9
99.04559	1.0
101.02457	1.0
101.04272	0.6
107.05054	0.9
109.06585	0.8
123.04513	1.3
124.01729	0.6
125.02486	3.4
137.02444	1.3
139.04002	2.0
145.06612	0.8
151.07634	0.8
153.05574	1.6
167.03526	1.9
171.08080	0.8
175.03964	0.9
179.03473	0.8
187.03984	0.7
198.03241	1.4
199.03906	1.1
229.05157	0.8
240.04201	0.6
253.05037	0.9
257.04807	0.8
267.17587	1.1
309.18518	3.8
311.20215	0.8
325.18069	1.0
335.20200	1.2
352.71017	0.7
353.17618	10.8
353.21381	2.0
354.17795	1.1
355.19473	0.9
379.19186	4.6
397.20203	100.0
397.24588	4.1
398.20432	17.0
398.25131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26814	0.3
53.01453	0.2
53.33051	0.2
59.01379	2.3
60.54662	0.3
66.55070	0.2
66.91474	0.2
69.30619	1.7
69.31045	0.8
71.01379	2.0
71.05024	17.9
72.05365	0.4
73.02954	0.7
85.02957	0.6
89.02454	1.0
98.19816	0.6
99.04562	0.4
101.02440	1.7
113.02457	0.5
117.05583	100.0
118.05914	3.3
119.03505	0.3
123.00882	0.3
135.06631	0.8
161.04616	0.4
169.07707	0.3
193.63969	0.3
202.96951	0.3
235.11887	0.4
250.46346	0.3
279.10858	0.5
297.11890	0.7
301.00031	0.4
341.03055	0.3
362.02686	0.5
397.01962	0.9
397.17285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.202
Annotation	Mutisicoumaranone C
Peak:m/z	Relative Intensity
54.82919	0.2
56.52495	0.2
57.03453	9.7
63.02391	0.4
65.00322	0.6
67.21665	0.2
69.05335	0.2
69.51379	0.2
69.68761	1.5
81.03474	2.5
83.01392	10.9
93.03506	0.2
95.04994	0.2
107.01405	0.6
121.02971	0.9
123.04576	1.5
125.02454	100.0
126.02778	3.8
137.72835	0.2
149.02455	1.3
151.00394	0.8
153.05562	0.5
167.03519	2.2
195.70992	0.2
229.15988	0.3
263.58337	0.2
271.17072	1.9
272.17419	0.3
291.58514	0.2
397.20059	3.8
398.20645	0.6
418.03210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02359	2.1
59.01380	5.4
60.99321	14.6
62.58785	2.0
70.16685	7.6
71.01407	3.2
81.36621	2.1
85.02935	3.1
85.59883	2.3
88.98260	5.2
88.98809	100.0
97.99264	2.2
101.02407	2.6
121.12100	1.9
125.72121	2.2
139.04076	2.2
207.06474	2.2
307.15329	10.5
361.07248	4.6
373.84247	2.1
397.20404	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	397.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01381	51.4
61.98834	5.0
67.63885	0.9
69.55425	5.1
69.55824	2.1
71.01386	3.1
71.04745	0.8
71.05031	9.6
73.02963	5.5
75.63736	0.9
85.02959	2.0
89.02479	1.3
96.95978	0.9
101.02428	2.9
101.06062	1.7
103.03355	1.7
103.04016	19.2
117.05585	100.0
118.05908	3.1
125.02409	1.2
139.04018	1.5
140.17783	1.0
145.02971	2.0
151.04070	1.1
181.17851	1.0
192.06743	1.0
205.05025	1.7
237.09752	1.7
265.07016	1.0
317.11337	1.9
397.01978	4.7
397.06985	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02979	0.7
61.98830	1.1
62.30335	0.7
65.00330	3.5
68.83369	0.8
69.34718	7.7
71.55003	1.0
78.25540	0.8
79.95748	5.0
80.96113	0.9
80.96499	4.4
86.22492	0.8
93.03453	3.1
96.96028	2.0
97.02950	3.7
98.17612	0.9
98.19827	1.5
109.02988	1.6
121.02952	3.9
122.03694	1.3
123.04535	18.3
124.01667	28.7
133.02997	1.0
137.02463	2.8
139.04018	93.8
140.04361	3.4
149.02444	36.3
150.02843	1.2
151.00362	3.1
151.04010	70.5
152.01129	2.1
152.04361	4.6
156.70827	1.0
160.01665	2.3
165.01924	27.8
166.02228	1.4
167.03508	5.9
172.58414	0.8
177.01920	10.8
178.99879	6.6
183.02994	0.9
193.01428	27.4
194.01743	1.1
195.03011	2.9
199.04022	1.1
207.21246	1.0
211.03960	1.2
230.99678	100.0
232.00017	6.6
235.05994	0.9
240.04263	3.6
241.04912	1.2
257.04550	4.0
258.05087	1.0
285.04047	3.5
289.07144	5.8
299.05630	10.8
300.05862	2.1
317.06656	32.0
318.07150	3.0
347.11038	1.2
369.02820	1.4
377.49130	1.2
397.02328	82.2
398.02713	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	396.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17406	2.6
51.54792	3.1
52.75942	2.9
61.98833	100.0
69.56702	20.2
72.43762	2.6
99.85036	3.2
243.11343	3.2
267.17896	2.8
289.21735	6.6
294.55682	3.3
333.20715	32.8
396.22531	3.1
398.66257	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	397.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94167	0.8
52.47061	0.8
59.01381	2.9
65.00323	3.7
69.29234	1.5
69.29637	7.8
71.01373	1.5
73.02959	0.9
79.95741	6.1
80.96519	3.6
83.01357	1.3
83.94961	1.0
85.02957	1.5
93.03455	2.6
96.96025	3.7
97.02957	3.8
98.20630	2.1
101.02447	2.0
101.06080	1.6
109.02991	1.5
111.00838	1.0
119.05034	2.9
121.02985	6.0
123.04533	14.8
124.01671	31.1
124.04874	1.1
127.00377	1.4
134.05290	0.8
137.02458	3.4
139.04021	100.0
140.04341	4.9
145.02989	0.8
149.01248	2.1
149.02451	38.7
149.99715	1.0
150.02759	1.2
151.00375	4.9
151.04018	45.6
152.01149	2.1
152.04372	2.4
160.01660	1.8
163.03990	2.1
165.01949	28.2
166.02280	1.7
167.03487	7.4
173.72775	0.8
175.03964	1.7
176.01294	0.9
177.01949	10.8
178.99921	6.1
179.03377	0.9
183.02921	1.9
193.01410	28.9
194.01833	0.9
195.03012	3.1
199.04012	1.7
229.04994	1.1
230.99693	62.0
232.00014	4.2
234.05391	1.2
235.06189	4.5
240.04257	3.5
241.04947	1.8
255.06516	1.1
257.04501	4.5
258.05054	1.1
285.04050	3.8
289.07196	4.5
299.05606	9.9
300.05914	1.2
317.06674	35.9
318.07147	4.5
369.02747	1.3
397.02341	81.5
397.11258	6.3
398.02612	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	396.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.61704	1.0
68.08676	0.8
72.56252	1.0
78.23910	0.9
79.92896	0.9
89.16089	0.9
98.20044	4.1
349.31290	0.9
397.20258	2.4
397.25751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04232	0.7
51.18182	0.8
51.55657	0.8
57.03467	1.2
58.57734	0.8
61.98835	100.0
69.68096	4.7
81.65644	0.8
83.01405	0.9
87.11414	1.0
95.16254	0.7
109.06618	1.6
111.08096	1.0
123.04467	0.8
136.38071	0.8
138.03265	2.1
139.03935	1.3
151.04021	2.3
153.05598	10.5
154.05922	3.2
177.22765	0.8
189.05455	1.0
190.02658	2.1
198.75528	0.9
203.03616	1.3
309.18594	3.4
333.17133	1.2
353.17517	12.7
353.21362	1.4
379.19083	3.0
396.25095	4.9
397.20218	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33998	0.2
59.01373	0.4
61.16743	0.2
61.98817	0.7
69.59031	1.7
77.03993	0.8
79.01893	0.4
79.28082	0.2
80.39524	0.2
84.33824	0.2
89.78449	0.2
95.05076	0.3
97.02962	0.4
99.04514	0.6
100.81734	0.2
109.02991	0.4
109.06591	0.3
111.04581	0.4
112.19680	0.3
124.01701	0.3
125.02479	0.3
125.95847	0.2
137.02487	1.2
137.06140	0.4
138.03235	36.1
139.04076	2.6
149.06110	0.4
153.05582	100.0
154.05917	4.6
164.04845	0.2
165.01967	1.8
165.05606	0.4
166.02705	3.3
167.03452	0.6
179.03488	0.4
180.04227	0.5
181.05078	0.4
193.05104	2.1
207.06635	1.4
217.99339	0.2
237.07681	0.7
333.20807	0.8
363.21851	0.6
395.24377	41.1
396.24731	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	395.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39856	3.4
58.58597	3.1
69.73483	13.2
69.73896	8.6
75.65221	3.9
79.01900	7.0
85.02957	56.7
91.60515	3.9
95.05019	11.9
99.04503	12.1
108.80255	4.1
123.04542	30.6
125.02431	16.3
132.45767	3.5
141.05609	6.7
167.03558	6.0
251.20145	21.9
262.38943	3.6
263.23798	15.9
291.23325	10.5
294.03897	4.1
295.22699	13.9
307.22900	4.2
317.21411	4.7
333.24368	60.8
334.24661	9.1
335.22284	100.0
336.22461	15.9
377.23315	8.7
378.23868	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	396.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65469	1.4
59.01383	3.2
61.98835	100.0
65.00313	1.7
71.60608	2.0
78.08220	1.7
81.03470	2.2
83.01392	5.0
85.06596	2.1
89.02443	1.5
98.88652	1.7
118.35706	1.6
119.39774	1.4
123.04526	3.3
125.02441	2.7
139.04012	1.8
153.05560	4.4
167.03358	2.1
168.03860	2.1
171.99467	1.6
179.03549	1.7
194.03055	1.7
361.19836	2.0
396.19330	3.3
396.24228	1.8
397.20071	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
58.00601	0.2
58.75659	0.2
59.01384	1.4
61.98829	0.8
63.02410	0.2
65.00330	1.5
69.03458	0.5
71.01395	0.2
73.02939	0.3
75.18340	0.2
81.03464	24.0
82.03816	0.9
83.01398	3.8
83.05035	0.8
95.05005	0.7
97.02978	0.2
97.06580	1.0
98.19826	0.3
99.04517	0.7
105.23508	0.2
107.01376	1.0
107.05058	0.2
109.06580	0.5
111.08164	0.3
122.03762	0.7
123.04533	0.7
123.08167	0.3
124.01656	0.3
125.02454	33.4
125.06100	0.6
125.09705	0.3
126.02801	1.1
127.07647	0.5
133.06554	0.3
135.04524	0.3
135.08159	0.8
136.05280	0.2
137.02434	0.2
137.09711	1.4
139.04016	0.2
139.11281	0.2
141.09236	0.3
141.12868	4.7
142.13171	0.3
151.00334	1.3
151.11247	0.3
155.14423	0.7
157.12323	0.2
161.09720	0.7
165.09195	1.0
169.12300	0.5
169.13921	0.2
169.15898	0.2
171.13910	1.8
179.10773	1.1
185.15477	0.4
191.10750	0.4
202.53247	0.2
207.10249	0.5
233.19205	0.2
249.22203	0.5
251.20108	0.6
267.23273	0.3
269.21222	0.7
282.37106	0.2
283.22897	0.2
285.23907	0.2
309.24377	1.8
310.24658	0.3
315.23251	0.5
331.22858	0.2
333.24481	0.5
349.23831	0.6
351.25446	1.7
353.23233	0.3
377.23373	0.6
395.24377	100.0
396.24725	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	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38315	0.4
55.01884	1.3
56.70330	0.4
70.07243	0.5
70.07619	0.6
73.02956	0.7
79.01902	0.9
81.03465	0.5
85.06596	11.7
85.07094	0.7
91.05543	0.3
97.02949	4.6
98.20625	0.4
106.56840	0.3
107.05049	0.7
107.16016	0.3
109.06603	6.8
109.51678	0.3
110.06963	0.4
111.04527	12.7
121.46790	0.4
123.04514	0.4
135.04530	1.3
135.08153	0.5
137.06104	0.6
138.03197	0.6
141.12881	1.5
151.04048	0.6
151.07718	0.9
153.05585	100.0
154.05923	6.1
161.09676	0.6
163.07724	0.4
165.05522	2.4
179.07117	2.2
185.15359	0.5
191.07237	0.7
195.48814	0.4
377.23422	2.0
387.93878	0.4
395.24396	72.8
396.24722	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	395.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03442	0.7
61.98823	0.5
69.76959	1.5
69.77375	1.0
73.02966	0.6
75.72544	0.4
79.01922	0.9
80.47215	0.4
81.03461	1.0
82.73702	0.4
83.01378	0.4
85.06598	11.3
90.04375	0.4
97.02953	3.2
97.06630	0.7
98.20520	0.7
109.06597	6.4
111.04533	12.2
123.08199	0.6
125.02483	0.9
135.04478	1.0
139.08287	0.5
141.12860	1.1
151.03853	0.5
151.07610	0.6
153.05589	100.0
154.05916	5.2
161.09796	0.7
163.07579	0.5
165.05563	1.7
167.65788	0.5
179.03548	0.6
179.07153	1.5
283.05151	0.4
310.14935	0.5
377.23248	1.0
395.24399	64.8
396.24768	10.7
396.29868	0.6
408.83691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Creoside IV
Peak:m/z	Relative Intensity
50.38223	0.9
55.01880	7.0
57.03460	8.0
58.00589	4.3
58.58297	0.9
59.01384	80.9
59.64491	0.9
60.01698	1.2
69.03457	1.3
71.01389	88.9
72.01727	2.3
72.99313	5.6
73.02950	26.9
75.00876	1.0
81.88840	1.0
83.01395	17.7
85.02959	34.8
87.00890	3.5
89.02452	45.9
95.01411	4.9
96.96009	5.2
97.02959	4.7
99.00880	10.9
101.02450	82.1
102.02814	1.3
105.73765	1.0
111.00876	7.3
113.01685	2.1
113.02460	29.3
115.04039	1.5
117.32917	1.0
119.03497	3.6
125.02467	5.6
129.01996	2.0
131.03510	31.7
132.03908	1.4
143.03526	4.5
149.04565	11.7
153.01965	1.4
159.03038	3.4
161.04570	23.4
173.04579	1.4
173.45654	1.0
215.05733	1.6
229.18140	1.1
233.06628	4.4
255.88406	1.0
258.93045	1.0
263.14999	100.0
264.15356	8.6
293.08667	1.0
300.33768	1.1
322.01260	3.0
335.01971	2.6
336.02713	1.2
351.04852	4.7
371.83389	1.1
395.14227	3.2
395.19226	81.8
396.19583	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	395.192
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01880	6.8
57.03438	3.2
58.00582	1.6
59.01379	36.9
65.00329	0.9
69.03444	1.2
71.01383	53.1
71.37928	1.7
72.01704	1.6
72.99304	3.2
73.02947	32.6
75.00871	2.0
81.25567	0.8
82.01303	0.8
83.01385	13.0
85.02953	31.9
86.00103	2.4
87.00877	4.5
88.91235	0.9
89.02451	12.4
95.01401	4.0
96.96008	2.0
97.02952	3.2
98.20560	0.7
99.00883	11.8
101.02445	66.1
102.02806	0.8
111.00876	2.3
113.02447	23.3
115.03999	2.1
119.03525	0.9
121.02948	1.8
125.02470	4.1
129.01971	1.4
131.03499	2.7
143.03497	2.2
149.04564	1.8
156.45033	0.7
159.03024	3.9
161.04547	20.3
162.04904	1.1
165.01933	4.0
193.01387	0.9
217.96358	0.8
224.21875	0.8
233.06670	3.0
238.30501	0.7
263.14993	100.0
264.15372	8.5
269.87756	0.8
299.99231	2.2
307.13968	1.2
315.01602	1.9
315.05127	4.1
322.01102	0.8
351.04886	1.6
395.00739	1.4
395.19189	80.7
396.19638	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	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.4
55.05104	0.5
57.03458	3.9
58.00602	1.5
59.01382	36.0
65.00350	0.9
69.03461	1.5
70.48930	0.5
70.91602	1.1
70.91943	1.0
71.01387	55.6
72.01718	1.1
72.99313	2.6
73.02954	30.8
74.02476	0.5
74.03302	0.7
75.00881	1.7
81.03487	0.6
83.01394	13.8
85.02956	29.1
86.00096	1.6
86.03288	0.9
87.00872	4.0
89.02453	11.4
90.02844	0.6
90.52663	0.5
95.01388	4.1
96.96037	2.4
97.02959	3.5
99.00894	11.9
99.08184	0.9
100.01223	0.5
101.02451	60.5
101.09722	0.8
102.02812	1.3
111.00883	1.3
113.02456	21.5
115.04015	2.0
119.03531	1.0
121.02981	2.1
125.02443	4.6
129.01971	1.7
131.03519	2.6
143.03487	2.6
145.29376	0.5
149.04605	1.1
150.38095	0.5
151.93852	0.5
159.03003	3.7
161.04573	18.5
162.04929	0.8
165.01924	5.8
171.10268	0.8
178.94803	0.6
183.02911	0.7
193.01445	2.1
205.03696	0.7
233.06612	2.9
263.15009	100.0
264.15347	7.9
293.09036	0.8
299.99097	2.0
307.13998	1.4
315.01407	1.4
315.05045	8.1
316.05359	1.0
322.01117	0.7
351.04944	0.7
395.00696	3.2
395.19226	86.5
396.19571	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	395.2439
Annotation	Australin A
Peak:m/z	Relative Intensity
57.03446	2.3
59.01384	1.7
59.95885	0.7
61.98845	1.0
63.99251	0.7
69.03458	0.8
70.36711	2.5
71.05038	5.6
80.41687	0.7
81.03489	1.6
83.01410	1.2
83.05031	2.6
85.02961	2.9
95.05016	1.3
97.02938	1.0
97.06606	1.1
99.04535	4.5
99.89664	0.6
107.05031	2.2
108.02225	1.3
109.02956	7.8
109.06628	1.4
110.81087	0.7
111.04532	4.8
113.02441	4.2
117.03468	1.8
119.05021	0.8
121.02955	0.9
121.06622	1.4
123.04533	8.1
125.02474	2.5
125.06112	4.0
127.04015	14.0
133.03011	0.9
135.00914	0.8
135.04588	0.9
135.08153	1.8
136.05324	0.8
137.02473	1.7
147.04521	0.9
147.08148	0.8
149.02452	0.9
151.00386	0.9
151.04031	9.8
152.01221	0.8
152.04631	1.0
153.05527	4.2
160.48466	0.8
161.02429	2.6
161.06052	1.3
163.04004	1.1
165.01952	3.1
167.03505	1.7
169.05035	1.4
169.16005	4.5
169.17197	0.7
175.03952	1.5
177.01891	1.1
177.05571	1.0
177.09216	1.9
178.02628	0.9
178.06380	1.4
179.07083	2.8
182.02278	0.9
190.02759	2.5
191.03497	2.1
193.08694	1.1
202.02727	0.9
203.03510	4.2
203.07133	0.9
204.04280	4.8
215.07147	2.6
217.04988	6.1
221.08205	2.7
231.06625	1.6
240.37279	0.9
245.08212	1.4
252.22415	1.0
267.19595	2.0
306.30771	0.8
333.24304	0.9
335.22369	3.6
336.22784	1.2
337.14407	1.0
339.21887	3.7
349.23804	5.5
350.24402	1.0
351.15964	0.9
351.25323	1.4
353.23111	1.3
359.22552	0.8
377.23334	27.1
378.23627	4.8
380.21967	2.4
395.24615	100.0
396.24988	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20213	0.8
55.01885	0.9
57.03444	1.7
58.00609	1.2
59.01098	1.0
59.01387	17.7
59.57604	1.2
60.01750	0.9
61.98838	1.4
69.03466	8.0
71.01392	15.9
71.61439	1.4
72.99312	1.5
73.02948	2.7
74.99108	2.1
79.95750	4.1
83.01385	1.5
85.02958	2.4
87.00897	1.4
87.04516	2.9
89.02463	3.9
96.96024	7.0
99.00922	1.3
101.02446	10.0
101.06090	57.4
102.06413	2.4
102.95685	1.0
112.98862	0.9
113.02485	3.1
113.06090	3.0
115.07661	100.0
116.07995	4.1
117.05581	1.3
119.03464	1.6
125.02445	1.4
135.00865	1.3
136.99139	2.1
143.07158	13.7
145.02885	1.4
145.08717	1.7
153.01877	0.9
159.06627	1.9
161.04535	1.5
173.08238	1.5
178.44258	1.0
183.88914	0.9
195.03061	1.6
200.98602	4.2
203.09251	5.3
212.12076	0.9
249.06245	0.8
255.04945	2.0
315.08777	1.5
382.28824	1.1
395.15601	49.0
396.16281	5.9
416.10718	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	395.156
Annotation	Mirabegron
Peak:m/z	Relative Intensity
53.52059	0.6
57.03449	0.9
59.01388	27.5
71.01392	8.8
71.05024	13.4
72.99303	1.5
73.02959	2.2
74.52065	0.5
75.00877	4.2
75.02296	0.6
79.47114	0.5
79.95752	0.9
83.01420	1.1
85.02955	4.3
87.00867	1.6
89.02448	3.9
95.01430	0.6
98.20763	0.7
99.00897	1.7
99.04530	1.9
101.02454	5.1
101.06068	1.1
103.04018	2.4
113.02480	3.3
115.04028	1.3
117.05592	100.0
118.05954	4.1
119.03522	1.2
121.31460	0.6
125.02466	0.7
127.07637	1.6
131.07176	1.7
133.05103	2.8
147.06689	3.2
159.06628	3.6
161.04543	2.0
175.97871	2.1
189.07722	1.5
192.04309	1.3
235.08212	1.1
247.08304	1.1
265.09326	2.9
270.09351	0.6
271.52594	0.7
277.09311	6.9
279.10928	0.7
295.10202	0.6
369.76959	0.6
395.15619	40.3
396.15964	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	395.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
60.99310	14.8
70.60859	1.5
71.01380	6.2
71.05004	1.8
71.59679	3.5
83.01376	1.7
87.00853	2.3
88.98812	100.0
89.02435	3.6
94.21566	1.6
96.96011	4.5
98.95551	1.8
101.02460	3.9
102.98623	1.8
103.04008	5.8
107.69878	1.5
109.02979	1.6
110.39840	1.5
113.02460	1.8
115.00366	2.1
117.05609	13.0
151.03999	1.8
177.01993	1.8
191.93321	1.6
242.99654	2.5
247.02632	2.1
261.33813	2.1
268.28091	1.8
269.11786	1.6
275.02060	1.6
323.98926	2.0
329.07233	1.9
338.00507	2.1
351.98477	3.7
367.00885	5.8
394.99829	19.3
395.04303	7.0
395.15765	4.4
396.00568	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	393.265
Annotation	Tylactone
Peak:m/z	Relative Intensity
57.03451	5.5
58.66280	0.6
59.01376	1.5
61.98827	0.8
71.05019	5.4
71.61887	0.9
79.01893	2.2
81.03483	0.9
83.01401	0.8
83.05009	1.6
85.02974	2.0
93.03453	1.0
95.05035	10.9
97.02967	3.5
97.06606	3.2
99.92574	1.2
109.06588	1.3
109.80759	0.6
111.04536	0.8
118.90034	0.8
121.02992	1.5
122.03770	0.8
123.04484	0.7
123.08185	0.9
135.04524	1.1
139.04019	21.4
141.01932	1.0
141.12845	1.3
155.14362	0.9
165.01923	1.9
167.03548	0.7
225.12599	0.6
230.37039	0.7
305.24731	0.8
307.26422	1.5
331.26419	1.3
347.26129	1.0
349.27533	4.8
349.31085	1.0
351.21698	1.0
375.25552	0.8
386.13260	0.6
393.26529	100.0
394.26871	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	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59958	100.0
69.60376	58.5
76.59306	20.5
78.27000	23.5
80.34637	22.7
119.04559	23.8
145.74989	21.1
236.74200	23.2
264.27328	25.3
393.26321	52.6
416.53455	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	394.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95155	2.9
59.01381	24.9
61.98839	44.5
63.63570	2.7
69.60397	16.3
69.72609	3.4
71.01373	16.7
72.99292	4.2
73.28671	3.1
73.29524	3.0
78.95913	7.3
81.17788	3.4
85.02957	5.7
89.02444	10.6
96.96021	4.4
96.96965	12.3
101.02453	8.8
101.68894	3.1
103.03992	3.2
107.01430	2.8
113.02437	3.5
117.05580	9.2
119.03492	3.8
123.00871	11.1
125.02451	24.9
125.97652	3.9
137.02377	3.8
139.00349	5.6
141.01955	3.4
151.00395	9.0
151.03990	3.4
159.73561	2.9
168.00681	5.1
169.01428	43.8
207.11099	3.0
211.02499	10.9
241.03636	3.3
244.09286	3.2
271.04663	17.7
300.99927	3.5
331.06699	100.0
332.06976	9.8
334.15454	3.6
395.06689	4.1
395.15558	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	394.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.2
61.98833	100.0
71.24699	1.5
71.37457	2.8
80.80208	1.7
81.03452	2.9
81.39619	1.6
97.62773	1.9
99.04523	2.3
102.86110	1.6
111.04465	1.6
125.02415	3.0
127.04034	3.1
170.16397	1.8
175.54575	1.7
193.05040	1.8
287.20169	4.1
331.19168	34.0
332.19498	3.9
376.22040	4.0
394.22897	23.8
395.23154	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	394.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37728	1.1
55.19654	1.2
57.03447	7.7
58.75759	1.2
59.01377	1.5
61.98836	100.0
65.00330	8.8
69.59126	2.3
69.59534	7.9
81.03461	1.9
83.01389	2.3
85.02950	18.3
87.00878	6.0
95.58117	1.2
99.04522	1.3
111.00873	1.4
114.82085	1.2
118.90086	1.4
122.36040	1.2
123.04507	7.0
125.02457	45.1
167.03535	2.2
227.20180	2.1
251.20206	1.9
287.20139	2.7
289.18030	1.7
295.22711	10.0
331.19095	27.8
332.19547	4.2
335.22153	4.9
355.94867	1.4
395.24341	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	395.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54681	0.9
56.60258	0.9
59.01095	1.3
59.01382	17.4
61.89579	0.9
63.18421	0.8
67.65456	0.8
69.50131	6.6
69.50546	1.6
71.01340	1.3
71.05015	0.8
72.99312	28.1
83.56448	0.9
84.78368	0.9
85.02946	0.8
96.96006	5.6
101.02403	1.3
117.05576	4.2
120.99692	1.7
144.64955	0.8
191.04921	1.1
209.06085	1.6
211.07643	2.7
217.06554	1.8
221.06059	1.2
223.07669	10.0
227.02719	3.4
235.07678	4.4
239.07120	3.6
241.04216	2.2
243.02112	1.0
245.03731	1.4
251.07126	1.7
253.04265	2.7
253.08685	2.2
259.05371	3.5
261.03210	1.2
261.05643	3.0
267.06601	1.8
269.03799	2.1
269.08191	4.2
271.02298	1.3
271.05295	16.9
271.09653	1.2
272.05716	2.0
275.04636	1.4
279.06686	4.4
285.03290	2.6
287.04807	16.2
288.05203	2.1
289.02765	1.4
293.17743	0.9
297.03214	3.3
297.07742	1.0
299.99112	34.2
300.99530	2.9
303.04300	3.9
313.02621	2.1
315.01440	28.1
315.04477	14.3
316.01749	3.0
316.04880	1.6
331.03769	10.1
332.04141	1.2
333.05435	3.6
341.02161	3.9
349.04837	41.3
350.05301	4.3
359.03317	7.3
377.04346	51.2
378.04745	6.4
395.05386	100.0
395.13623	2.6
396.05627	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	393.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10785	0.7
55.01873	1.2
57.03465	0.6
57.42952	0.6
69.68757	4.9
72.49326	0.7
72.90504	0.7
79.01914	2.9
79.12502	0.6
83.01367	1.2
85.06589	12.4
95.05042	4.4
97.02948	3.2
107.05088	1.3
109.06612	7.4
111.04530	12.0
123.04558	1.2
135.04552	3.2
137.06096	0.7
141.12859	3.0
149.06032	0.7
151.07668	12.0
152.07932	0.7
153.05585	100.0
154.05899	5.3
163.07693	1.4
165.05603	1.2
179.03525	3.9
179.07182	4.0
179.10754	1.2
185.15419	1.0
192.04337	1.2
195.06628	48.2
196.06969	3.7
207.06619	25.4
208.07021	1.2
229.79750	0.6
265.89774	0.7
357.20581	0.9
375.21704	5.6
393.22815	90.2
394.23154	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	393.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03454	3.8
58.00587	1.0
59.01367	1.7
59.08780	0.4
61.98824	1.1
65.00316	0.9
69.03448	0.6
69.45490	3.4
76.69108	0.4
81.03461	11.6
83.01398	3.8
83.05020	0.9
85.02950	0.8
85.06570	1.5
95.05030	0.9
97.02924	0.4
97.06573	0.8
99.04491	0.6
99.08168	8.8
107.01427	0.4
107.05050	0.5
109.02957	0.4
109.06589	3.8
111.04530	1.9
111.08131	0.4
113.09737	0.6
122.03761	2.8
123.04493	1.9
124.01665	0.8
125.02453	29.6
126.02811	1.0
127.04010	1.6
127.07661	1.4
129.09221	8.7
135.04543	0.5
137.09727	1.1
139.04034	0.9
151.00343	1.6
151.03989	0.4
151.07646	0.9
153.05580	14.6
154.05911	1.0
154.24004	0.4
167.03493	1.3
167.07156	0.4
177.12865	4.2
179.03493	1.2
179.10799	1.1
193.05061	0.5
219.13904	9.2
220.14301	0.8
245.11685	0.6
263.12823	3.2
307.22742	0.5
329.96344	0.4
333.20255	0.5
351.21780	0.6
375.21744	0.7
393.22809	100.0
394.23166	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	393.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43376	0.5
57.03452	6.3
59.01382	2.1
65.00326	1.4
69.03452	0.6
69.51610	3.5
71.91961	0.4
75.00128	0.4
75.93700	0.4
80.83986	0.5
81.03464	22.8
82.03815	1.0
83.01407	4.0
83.05035	1.2
85.02944	0.7
87.00872	1.0
92.35242	0.5
95.05029	1.3
97.06598	4.0
99.04490	0.7
107.01406	0.8
109.06590	0.6
113.09763	0.5
123.08155	1.2
125.02457	53.9
125.06090	1.7
126.02748	2.4
135.04504	0.6
135.08185	1.0
137.09737	6.3
141.12866	2.1
141.44850	0.5
151.00403	1.5
151.07622	0.6
153.05573	0.9
155.14400	1.0
157.12334	1.0
161.09683	0.6
165.09152	0.6
169.12390	1.9
179.03555	0.7
179.10776	1.4
181.90353	0.5
207.10316	1.0
221.19040	0.5
227.54863	0.4
249.18594	1.4
289.21710	0.8
289.81027	0.6
309.20865	0.6
349.23834	1.0
351.21759	0.5
393.22852	100.0
394.23175	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	393.2647
Annotation	Tylactone
Peak:m/z	Relative Intensity
50.88916	0.6
55.01887	0.9
57.03443	3.6
59.01375	0.7
67.19262	0.5
72.55410	0.5
79.01896	1.0
84.99504	0.8
97.02974	1.1
98.20648	1.5
99.08158	7.5
107.05011	1.2
109.02950	0.9
111.04560	0.7
120.05811	1.5
121.06609	1.7
123.08169	20.3
124.08518	0.7
125.06075	0.8
139.04056	0.6
147.08180	0.5
149.06029	1.2
149.09726	2.8
152.04799	2.2
167.07135	59.5
168.07500	3.2
169.15967	6.9
175.11255	5.3
193.05023	1.1
193.12366	1.4
331.26358	1.0
333.19659	1.3
342.19037	0.7
351.21686	1.2
384.81662	0.7
393.26498	100.0
394.26825	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	393.2286
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
55.01896	1.2
55.39425	0.8
57.03473	3.8
59.01379	6.4
64.40365	0.6
67.52391	0.8
69.03456	1.9
69.63224	5.3
73.02965	2.3
79.01886	2.1
81.03480	1.9
83.01401	2.9
85.02958	100.0
86.03290	2.2
87.00883	32.3
88.86314	0.8
93.03454	1.0
95.05025	1.3
97.02975	2.3
98.19963	1.4
99.04535	4.8
99.92586	0.9
101.02462	1.9
111.00880	8.4
113.02462	1.8
115.00371	0.9
115.04010	3.0
123.04540	6.0
124.01686	1.3
125.01627	1.1
125.02465	11.0
126.02782	1.6
138.03246	1.8
139.04051	1.1
143.03531	6.8
151.00403	1.6
153.05579	1.1
166.02824	0.9
167.03517	15.3
179.03427	0.8
181.04684	0.8
184.03792	0.9
185.04451	1.9
192.63864	0.7
225.18562	6.0
230.42369	0.7
249.18553	5.3
250.18845	0.8
251.20206	2.7
281.21176	1.6
293.21252	52.5
294.21585	6.7
315.19711	0.9
321.20578	1.0
333.20755	29.6
334.21115	3.9
344.93942	0.8
346.99432	0.8
375.21780	4.6
390.34293	0.9
393.22775	72.6
394.23059	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	393.2284
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
55.01878	0.9
56.66402	0.6
57.03455	6.6
59.01384	3.3
61.98796	1.3
66.36926	0.5
68.99802	1.2
69.03466	3.9
71.01366	0.9
71.05022	5.9
71.60788	0.7
80.52361	0.5
81.03423	1.7
83.01367	1.4
83.05000	2.5
85.02955	4.5
90.29605	0.6
95.01360	1.7
95.05002	2.3
97.02954	1.2
97.06575	1.2
99.04543	4.9
107.04969	2.0
108.02124	1.0
109.02296	0.7
109.02959	7.4
109.06601	1.3
111.00826	0.8
111.04514	9.0
113.01838	0.5
113.02455	5.4
113.06069	1.0
114.06389	0.6
121.06526	0.8
123.04534	7.6
123.08134	1.4
125.02387	1.7
125.06076	4.0
127.04009	8.3
134.03638	0.6
135.00830	1.3
135.04456	1.4
137.02400	1.3
137.06116	0.7
139.03964	2.0
141.01894	1.1
141.05469	0.7
142.05916	0.8
149.02368	0.9
149.06096	3.6
151.04016	14.0
152.04652	2.3
152.52647	0.6
153.05577	6.9
155.03508	2.7
161.06029	1.7
163.03937	2.1
164.04741	0.8
165.05574	7.5
166.05907	0.9
167.03548	2.8
167.07158	3.3
169.04980	2.0
169.15993	6.8
175.03993	0.8
177.01871	2.1
177.05492	2.4
177.09183	0.7
178.02689	0.8
178.06290	0.6
179.03447	1.3
179.06990	1.3
181.04953	1.6
181.15918	1.3
193.05070	14.6
194.05342	0.9
195.17479	2.5
196.03693	2.5
205.05052	3.9
206.05621	0.9
209.04523	0.8
213.66425	0.5
221.15434	0.9
221.19029	1.2
223.17012	0.6
235.16927	2.0
241.17990	1.0
246.98721	0.7
251.19930	0.9
265.17926	1.2
331.22693	1.1
333.20508	2.7
334.24365	0.8
337.20020	2.5
346.41907	0.6
347.22107	2.1
349.26987	1.2
351.21097	3.8
352.63571	0.7
355.19083	0.8
375.21759	16.5
376.21851	2.4
378.20410	1.4
380.50507	0.6
393.22592	100.0
394.23093	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	393.2285
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
54.12946	0.3
54.59904	0.3
57.03441	0.4
57.82837	0.3
59.01379	0.8
59.78472	0.3
61.98834	1.8
71.01398	0.3
71.37394	0.4
71.37733	0.3
77.03983	1.1
79.01915	0.6
81.03479	0.7
85.02958	0.6
85.94997	0.3
95.05048	0.3
97.02979	0.4
107.05003	0.4
110.13713	0.3
111.04504	0.6
119.05036	0.7
121.02972	0.4
123.04573	0.7
125.02442	1.2
136.01662	0.6
137.02437	1.0
138.03239	37.7
139.03511	1.7
141.12872	1.1
147.08215	0.4
149.06081	0.4
151.00310	0.3
151.03925	0.6
151.07640	0.4
152.04854	0.4
153.05585	100.0
154.05927	4.9
155.14467	0.3
163.07642	0.3
164.01160	0.8
164.04807	1.2
165.01938	1.1
166.02721	0.8
169.15997	0.6
174.64998	0.3
179.03542	3.2
180.04298	16.2
181.04721	0.8
185.15466	0.7
191.03456	0.5
191.07114	0.6
192.04233	1.6
193.05023	2.3
195.06633	22.3
196.06984	1.5
196.47624	0.3
207.06656	7.9
208.07008	0.9
261.96725	0.3
270.14325	0.3
274.41547	0.3
330.18033	0.6
333.20581	0.3
351.21585	0.6
375.21524	1.0
393.22839	45.8
394.23239	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	393.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.8
58.00589	0.6
59.01377	2.2
61.98825	0.7
65.00316	1.3
70.65419	0.4
71.04985	0.6
73.02946	1.5
81.03466	25.0
82.03811	0.8
83.01400	4.0
83.05032	1.7
85.02961	1.0
85.06585	0.6
95.05006	0.8
97.02969	1.1
97.06590	2.4
99.04505	1.6
102.72168	0.5
104.42778	0.5
107.01392	0.8
109.02945	1.0
109.06551	1.4
111.04547	1.0
121.06624	0.6
121.95854	0.5
122.03773	0.5
123.04520	1.4
123.08214	0.7
125.02454	39.2
125.06058	1.1
126.02755	2.0
135.08148	1.6
137.06085	0.7
137.09715	3.8
138.03188	0.6
139.04045	0.6
140.01161	1.0
147.08209	0.5
149.09808	0.6
151.00395	1.3
151.03990	1.9
151.07648	0.9
153.05600	4.2
153.09221	1.4
153.70349	0.4
154.05943	1.2
155.03488	0.8
155.07181	0.7
159.30690	0.5
161.09760	1.0
166.02705	0.5
167.03531	0.5
175.07698	0.7
177.09248	0.9
179.03421	0.7
179.10701	0.8
195.06639	1.0
219.10439	0.7
219.17523	0.6
237.11296	1.1
249.18520	0.6
251.91176	0.5
263.09274	0.5
265.10696	0.5
265.21811	0.5
267.19693	0.6
281.10391	1.7
307.22781	0.6
331.19034	2.5
351.21600	1.0
375.25467	1.0
393.22815	100.0
394.23166	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	393.2283
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
52.66082	1.6
57.03450	4.7
58.66922	1.4
59.01395	3.1
69.72960	6.9
71.05025	6.9
72.22827	1.5
79.01877	8.0
81.03456	3.8
83.01410	2.6
85.02961	67.0
87.00891	3.4
95.05043	15.7
97.02976	3.4
98.50048	1.6
99.04544	8.4
108.93141	1.6
115.04021	2.1
123.04545	40.5
124.01662	2.7
125.02460	20.2
135.04524	2.6
137.02516	2.5
137.06067	2.7
138.03241	4.9
139.04030	4.5
141.05624	7.6
149.02429	1.5
151.00436	8.2
151.04002	2.1
152.04823	5.1
163.03998	1.7
165.01918	3.3
165.05586	3.3
166.02748	3.7
167.03508	11.2
178.06375	11.8
179.03528	4.5
184.03862	1.6
195.06790	1.6
207.17525	2.2
249.18611	14.2
250.18922	2.4
261.22321	2.7
272.51297	1.6
279.23447	3.7
289.21732	4.4
293.21289	12.3
294.21701	2.7
305.21494	2.8
310.65411	1.8
315.19601	1.7
331.22809	52.4
332.23196	7.4
333.20758	100.0
334.21255	13.3
349.23730	2.4
375.21844	12.3
376.22556	9.5
393.26852	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	393.192
Annotation	CHEBI:67683
Peak:m/z	Relative Intensity
55.01882	0.5
57.03437	1.5
59.01382	19.3
60.82486	0.4
69.03435	0.5
69.49909	1.4
69.50333	2.1
71.01366	0.8
71.05030	6.8
72.05362	0.5
73.02959	0.8
81.03464	1.5
83.01391	0.8
83.05035	2.7
85.02956	12.4
87.00873	2.1
95.01411	0.7
95.05006	0.7
97.02946	0.6
97.06578	1.4
99.04520	5.8
107.05058	2.2
109.02942	6.3
109.06593	0.9
111.00877	0.8
111.04503	2.8
113.02478	1.2
113.79530	0.5
121.06549	0.6
123.04556	4.2
124.01646	0.8
125.02462	3.0
125.06079	2.6
127.04029	8.7
135.00899	0.7
135.04474	0.7
135.89539	0.4
137.02444	0.8
138.03171	0.9
139.03999	1.3
143.03508	0.5
149.02431	0.9
149.05951	0.6
150.03233	0.7
151.00374	0.5
151.04024	4.9
152.04839	3.1
153.01909	1.1
153.05589	3.1
163.00270	0.5
163.11224	0.5
164.04770	2.4
167.03520	2.9
169.05051	0.7
177.01852	1.3
178.02661	2.6
178.06355	0.7
180.04198	0.6
181.05035	0.5
181.12291	0.6
181.34554	0.4
182.02182	0.7
185.04564	1.1
191.03368	0.6
192.04218	1.0
199.13472	0.5
205.05025	1.0
205.12341	0.6
206.05702	0.5
221.15405	0.6
245.15506	0.9
249.18701	0.5
265.14450	1.1
271.16937	1.7
273.15024	6.4
274.15543	1.4
277.14456	4.6
278.14856	0.5
287.16559	6.2
288.16931	1.0
289.18085	3.2
291.16013	1.9
293.21091	2.0
298.23523	0.5
305.17389	0.5
307.19348	0.6
315.16022	20.9
316.16373	3.3
318.14551	0.8
331.19153	0.7
333.16956	9.4
333.20688	5.0
334.17606	1.4
337.16614	3.3
347.18713	3.9
349.20105	1.3
351.18109	1.9
375.18085	19.9
375.22775	1.1
376.18457	3.4
378.16824	2.7
393.19064	100.0
394.19357	16.7
418.38309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.3
59.01093	0.6
59.01381	10.1
59.15962	0.4
61.98828	0.8
69.42426	1.6
69.42846	0.9
71.01389	7.4
71.05025	21.8
72.05362	0.5
72.99319	0.5
73.02953	1.1
81.51966	0.3
82.08957	0.3
83.01396	1.0
85.02953	1.5
85.06597	6.8
87.00883	0.9
89.02444	2.3
93.41149	0.3
95.01362	0.5
96.96033	1.4
97.02969	0.4
98.19912	0.7
99.04533	1.2
101.02444	2.9
113.02459	1.9
113.06108	1.2
115.07664	0.6
117.05585	100.0
117.80260	0.3
118.05899	2.7
119.03522	0.6
120.99716	0.4
126.74474	0.3
127.07681	0.5
131.07147	23.4
132.07443	0.9
134.54120	0.3
143.03423	0.5
148.38269	0.4
159.06622	1.2
161.04630	0.4
173.08214	0.9
185.08168	0.5
269.58881	0.3
275.11380	15.1
276.11697	1.2
293.12430	3.2
393.13287	0.8
393.17606	23.3
394.17850	2.7
394.22006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19292	0.6
55.01886	1.3
57.03444	1.0
58.00600	2.4
59.01384	75.7
60.01712	1.2
69.03487	0.6
69.74954	1.2
69.75372	2.6
71.01388	58.6
72.01716	1.1
72.99324	2.9
73.02955	16.4
83.01412	1.6
85.02954	7.4
87.00891	2.2
89.02451	100.0
90.02802	1.7
94.59339	0.6
95.01410	1.8
97.02941	1.2
98.19973	1.1
99.00883	23.1
99.01516	1.2
101.02449	34.8
102.02783	1.0
113.02458	14.1
115.04020	0.7
119.03515	14.2
120.71466	0.6
125.02434	4.6
126.02805	0.6
131.03516	16.3
143.03488	3.7
149.04564	47.1
150.04910	1.5
161.04579	4.7
167.23363	0.6
169.01469	1.3
179.05605	6.6
191.05629	12.2
221.06686	2.5
238.64177	0.6
239.10515	0.6
251.07755	3.6
261.13364	1.7
275.07773	0.7
293.08676	0.6
393.17667	22.1
394.18100	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	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88948	0.2
59.01381	1.7
61.98826	0.8
65.16320	0.2
68.27304	0.2
69.55471	0.3
69.55880	1.4
71.01391	1.4
71.05026	19.8
72.05360	0.7
72.99335	0.2
73.02943	0.6
73.16914	0.2
75.00888	0.8
79.95718	0.5
85.02947	0.8
85.57637	0.2
87.00873	0.5
89.02451	0.5
95.01431	0.4
96.96030	0.3
98.20601	0.4
99.00883	0.6
99.04521	0.5
101.02464	0.3
107.01408	0.4
113.02451	1.4
117.05586	100.0
118.05927	3.6
125.02438	1.4
127.07318	0.2
131.03499	0.3
143.07138	1.8
147.22911	0.2
149.02464	0.6
150.03255	0.5
151.04012	0.4
161.02501	0.3
165.05550	0.6
169.01424	1.4
170.01796	0.3
182.30721	0.2
192.04230	0.3
202.24875	0.2
249.06180	0.8
262.66821	0.3
275.01846	0.5
300.99905	0.8
302.00311	0.4
313.09225	0.3
316.53598	1.0
317.03510	0.2
345.13474	0.3
392.53992	0.5
393.13986	3.9
394.14944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.6
61.98839	100.0
69.56798	22.7
71.05035	4.5
92.59220	3.6
95.05009	6.7
102.57972	3.1
127.07751	3.8
131.64143	3.6
139.04028	16.1
233.15453	4.7
234.15797	5.1
285.18533	4.3
329.17688	36.7
330.17755	4.8
350.20563	8.8
391.24957	7.3
392.25525	81.6
393.25912	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	392.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39536	0.9
61.98835	100.0
65.73648	0.9
71.38845	1.7
72.83926	0.8
78.19044	0.8
89.70045	0.9
94.13755	0.9
136.67389	0.9
167.03439	1.1
275.98193	1.0
350.20618	1.7
392.21384	1.6
392.25827	1.3
393.22342	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	392.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75335	1.2
57.03434	1.7
59.01381	3.7
61.14829	1.2
61.98833	100.0
69.48753	7.1
69.49168	3.0
85.02962	2.2
95.05051	2.5
97.02992	2.3
98.19892	2.8
109.02962	2.2
113.02467	1.4
119.99908	1.3
123.04543	3.0
125.02416	2.5
127.04025	2.8
137.95436	1.1
139.03998	3.5
141.01929	2.4
145.14937	1.2
151.04022	2.2
153.05554	1.4
167.03593	2.0
201.14922	1.2
265.37344	1.2
350.20453	7.9
351.21423	1.4
375.21823	5.3
392.20660	9.7
392.25806	15.4
393.22498	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.98841	0.5
69.03448	0.3
69.61176	1.1
71.01390	1.3
71.05025	19.7
72.05354	0.5
72.99326	0.3
73.02957	0.6
74.83955	0.2
75.00872	0.7
79.95735	0.4
85.02962	0.8
86.20289	0.2
87.00880	0.3
89.02449	0.5
93.03454	0.3
95.01402	0.3
96.96009	0.4
98.20612	0.3
99.00902	0.4
99.04532	0.6
101.02441	0.3
103.00315	0.2
107.01378	0.4
111.00870	0.3
113.02418	1.0
117.05585	100.0
118.05918	3.2
122.07865	0.2
123.00885	0.5
125.02463	1.9
126.02800	0.5
131.03482	0.6
134.03792	0.2
141.05576	0.2
143.07147	1.9
149.02370	0.4
150.03189	0.3
151.04022	0.4
159.06725	0.2
165.05620	0.3
167.07188	0.3
169.01437	1.8
170.01726	0.5
177.51950	0.2
192.04163	0.2
195.06602	0.2
229.01396	0.3
241.04950	0.5
249.06142	0.9
256.07367	0.6
267.07166	0.6
271.09756	0.7
272.10287	0.2
273.00549	0.2
275.01999	0.4
293.08600	0.2
300.99957	0.9
302.00281	0.4
313.09274	0.5
316.03241	0.6
316.53415	1.3
317.03485	0.5
345.13174	0.5
375.52765	0.2
392.54208	0.4
393.03891	0.3
393.14008	4.0
393.54623	0.2
394.14474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.51093	10.8
69.55737	2.2
81.03460	4.9
85.22482	2.1
92.58054	2.1
123.04557	2.6
125.02470	2.5
138.03238	35.7
153.05589	92.4
179.03442	4.1
180.04333	14.5
180.37450	2.1
189.39896	2.4
192.04370	3.2
193.04996	2.3
195.06644	23.5
206.43790	2.3
207.06604	8.5
285.18604	2.2
329.17572	31.9
330.17975	5.8
350.20724	2.8
392.21469	8.7
393.22879	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.0
59.01387	21.9
61.98837	44.2
63.05719	0.9
65.00327	3.5
69.03466	1.0
69.35558	3.3
69.35979	5.6
71.01385	1.1
71.05036	6.2
81.03463	2.8
83.01398	6.6
83.05031	1.5
85.02961	9.1
87.00877	1.8
97.06574	1.4
99.04523	5.3
107.05031	2.3
109.02971	6.8
111.04551	2.3
113.02474	1.8
115.81313	0.9
123.04539	10.5
124.04843	2.3
125.02464	51.1
125.06094	1.7
126.02811	10.2
127.04030	6.2
136.14241	1.1
137.02417	1.2
140.87802	0.9
149.02457	1.1
151.03978	3.7
152.04816	2.2
153.05585	3.4
164.04741	2.2
167.03545	4.4
168.03870	2.4
172.12296	1.0
177.01958	1.1
178.02710	1.8
185.04674	1.1
191.03505	1.5
273.14874	5.0
275.37192	1.1
277.14484	2.1
278.15067	1.1
287.16556	3.5
289.18216	3.0
291.15994	1.3
293.21259	1.5
315.16013	15.6
318.14578	1.1
329.17621	13.9
330.17972	2.7
333.17044	6.4
333.20651	1.9
337.16647	5.4
347.18698	6.2
349.20337	2.0
351.18002	1.9
375.18085	19.7
375.21979	0.8
378.16672	2.3
392.21643	3.9
393.19196	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	391.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
57.29416	0.5
58.89926	0.5
59.01378	1.6
60.54868	0.6
61.85678	0.5
65.00323	1.2
71.37516	1.0
73.75089	0.5
81.03464	20.4
83.01389	1.8
90.76471	0.5
95.05009	0.6
96.95987	1.0
107.01405	1.1
113.04390	0.5
118.65004	0.5
121.02956	0.9
122.03767	2.8
125.01617	0.8
125.02457	8.3
129.08516	0.6
151.00383	1.4
199.57784	0.5
272.49164	0.7
283.26685	0.6
305.28555	4.3
306.28662	1.0
307.26434	7.8
308.26746	1.2
347.29559	40.2
348.29907	6.4
373.27615	1.5
391.28555	100.0
392.28928	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	392.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00119	1.6
51.50608	1.6
57.03452	6.3
59.00131	1.7
59.01384	4.3
59.81644	1.6
61.98834	100.0
65.00338	7.0
70.76345	5.4
71.01397	2.3
81.03463	3.8
83.01393	4.0
83.05051	2.0
85.02959	7.8
98.75883	1.7
111.04593	2.4
123.04520	6.9
125.02465	62.1
126.02773	2.8
127.58797	1.6
139.04013	3.6
167.03545	14.3
185.04599	10.6
247.42101	2.2
259.24927	1.8
293.21097	1.6
323.66132	1.8
329.17606	29.2
330.17950	4.9
349.52451	2.0
362.37573	1.8
375.18045	2.5
392.21167	2.5
393.18872	6.8
393.23199	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	391.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67779	0.2
55.01875	1.0
56.67053	0.2
57.03437	0.3
64.82665	0.2
68.39378	0.2
69.63630	1.2
73.02949	0.8
79.01900	2.8
80.02651	0.2
81.03439	0.5
85.06600	5.1
91.05543	0.7
93.03456	0.6
95.05006	0.4
97.02969	1.5
97.06692	0.2
107.05042	0.8
108.72922	0.2
109.02983	0.3
109.06596	9.4
110.06949	0.4
111.04523	4.4
112.04762	0.2
121.02955	0.2
123.04575	0.2
135.04546	3.1
136.05344	0.4
140.17178	0.2
149.06081	0.7
151.04008	0.9
153.05585	21.5
154.05899	1.0
162.06932	0.3
171.74438	0.2
176.04723	0.3
179.03511	2.0
180.03929	0.2
237.22252	0.3
255.23399	0.3
275.02359	0.2
279.23318	3.0
280.23679	0.4
289.25330	0.3
291.26978	3.5
292.27267	0.6
305.28433	0.4
331.26471	0.3
345.27887	0.8
347.29559	22.1
348.29932	3.9
373.27496	1.0
389.26965	0.3
391.28564	100.0
392.28903	17.2
402.59796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.3
59.01382	8.3
69.03425	0.9
78.48959	0.6
81.03469	0.8
83.01397	2.0
83.31310	0.7
85.02954	4.9
85.06580	4.1
95.01403	2.5
95.05051	2.8
96.02150	1.5
97.02975	1.3
97.06581	3.8
98.20617	1.7
108.02180	1.1
109.02963	0.9
111.00926	1.4
111.04536	2.4
111.08185	2.0
113.02451	1.7
113.06096	9.3
121.06588	1.5
122.03731	1.2
123.04522	2.3
125.06102	0.9
137.06081	2.7
139.07581	3.2
141.01913	2.0
141.05582	23.0
147.13081	0.7
147.38655	0.7
151.04033	1.1
161.05977	0.9
163.03954	1.6
165.05566	4.7
166.06371	5.3
167.03575	1.9
176.08434	0.9
178.06358	8.3
179.07101	2.5
181.05084	4.6
181.08646	1.4
183.06628	0.7
191.03491	1.3
192.07880	4.6
207.17700	1.0
221.08188	1.1
223.20770	0.8
225.18646	2.5
249.18573	6.1
250.18948	0.8
305.24985	1.9
321.20657	1.6
329.24820	1.9
331.22836	3.6
332.23553	3.4
333.20657	4.3
345.24307	1.6
347.25827	9.1
348.26349	1.2
349.20090	4.5
349.23898	8.6
350.20123	0.9
373.24097	1.3
391.24936	100.0
392.25247	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	391.2493
Annotation	Vladimuliecin B
Peak:m/z	Relative Intensity
51.38556	0.7
54.25096	0.6
57.03435	2.4
59.01365	3.1
69.61899	1.5
69.62301	3.0
69.73393	0.8
71.05031	4.9
75.15070	0.7
81.03464	0.9
83.01380	0.7
83.05023	1.6
85.02957	3.6
94.02745	0.7
97.06605	1.0
99.04502	3.2
107.05022	2.0
109.02975	4.3
109.06573	1.0
111.04506	2.7
123.04459	1.0
125.02418	0.8
125.06061	2.6
127.04030	6.0
135.04523	1.6
149.02397	1.4
149.06126	1.1
149.27824	0.6
151.04048	5.4
152.04782	1.2
153.01944	1.0
153.05565	4.2
154.05905	0.9
163.03993	1.9
164.04738	2.2
165.05515	0.9
167.03467	1.0
169.05016	1.4
177.01888	2.7
178.02702	2.4
178.06331	4.9
181.05011	2.2
191.03473	1.6
196.03760	1.2
206.05905	4.7
207.06302	0.7
209.04500	1.0
239.20145	1.5
247.20522	0.7
263.20251	3.5
303.26736	1.0
329.24954	1.5
331.22748	3.3
332.23419	1.1
335.22333	6.6
336.22415	0.9
345.24326	5.7
346.24689	1.7
347.22095	0.9
347.25748	2.5
349.23608	1.8
373.23846	23.0
373.28412	1.6
374.24112	4.7
376.22412	2.4
391.24805	100.0
392.20581	1.2
392.25250	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	391.2493
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
55.01884	0.6
56.27003	0.4
57.03457	5.0
59.01376	1.4
63.02412	0.5
69.03442	0.8
71.05034	0.4
71.61443	0.7
75.13991	0.4
78.80500	0.4
79.01903	1.1
85.02969	1.0
85.06570	0.6
95.05040	3.0
95.56793	0.4
99.08171	5.8
107.05028	1.1
107.38897	0.4
108.82243	0.5
109.06581	0.5
111.04525	0.9
121.06585	1.6
123.04553	0.5
123.08176	21.3
124.01661	1.4
124.08501	1.2
132.12817	0.4
139.04044	1.3
147.08153	0.8
149.06076	1.4
150.06866	0.8
152.01105	0.7
152.04733	1.0
161.69449	0.4
165.09222	16.4
165.85434	0.4
166.09517	0.8
167.07155	39.9
168.07532	2.4
169.16003	7.0
177.09258	0.9
191.07108	0.8
193.05107	1.7
193.12341	13.4
194.12685	0.6
195.17587	0.5
200.20219	0.4
207.06685	0.7
209.08209	7.4
210.08522	0.7
221.08170	2.2
223.17056	1.1
276.80875	0.5
347.25830	1.0
363.36957	0.5
391.24936	100.0
392.25256	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2491
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
52.58400	0.4
55.01880	0.5
57.03457	1.9
58.25011	0.4
59.01379	2.1
61.98836	16.2
66.56853	0.4
71.05023	4.4
77.03978	0.5
79.01913	2.1
80.02699	0.4
81.03457	0.9
83.01407	0.8
83.05022	0.6
85.02940	0.5
93.03487	0.4
95.05029	10.5
97.02956	4.0
98.19941	1.0
98.68250	0.4
99.08156	0.4
107.05026	0.6
109.02959	1.7
109.06598	0.4
110.22575	0.4
113.09698	0.5
121.02965	2.1
122.03766	3.3
123.04586	0.4
123.08186	1.2
125.02434	0.6
130.16895	0.4
135.04512	0.9
136.05298	2.7
137.09734	1.2
138.03268	0.7
139.04019	22.4
140.04344	1.1
141.01932	1.2
153.12753	0.5
165.01950	1.8
166.02705	1.2
167.07191	0.6
175.11279	0.4
177.12840	0.8
179.03415	0.4
179.10771	1.0
182.00041	0.4
191.14427	3.8
192.14825	0.5
193.05060	0.9
215.14500	0.6
218.13120	2.9
233.15466	13.4
234.15886	1.2
259.13324	0.8
270.83679	0.5
271.29245	0.5
277.14432	4.0
285.18585	0.7
287.20300	0.8
292.15198	0.4
293.21243	0.5
329.17569	6.2
331.19354	1.5
347.26129	0.6
349.20261	2.5
373.24060	0.5
391.25031	100.0
392.21472	1.0
392.25378	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	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01381	2.0
63.02402	0.6
65.00322	1.4
69.03439	0.6
69.50994	2.8
79.01910	0.5
81.03469	1.1
83.01393	0.9
83.05044	0.5
85.02957	0.7
85.06603	0.6
89.00341	0.5
95.01382	2.9
95.05034	2.0
96.02177	1.0
97.02960	1.2
97.06592	0.7
97.74760	0.3
98.19936	0.9
108.02190	0.5
109.02961	0.4
109.06559	0.6
111.04515	0.8
113.06109	2.0
121.06594	0.5
122.03781	1.0
123.00872	1.2
123.04482	0.5
124.01669	17.6
124.05239	0.4
125.02497	2.6
137.02457	1.7
137.06133	1.0
138.03201	0.7
139.00385	0.6
139.04021	23.5
139.07607	0.8
140.04314	1.1
141.01965	0.6
141.05589	3.7
149.99472	0.5
151.00392	2.4
151.03893	0.5
152.01155	16.2
153.01547	0.6
164.01118	0.5
165.01944	4.2
165.05568	0.8
166.02705	4.1
166.06392	0.8
167.03450	0.7
178.06328	1.2
179.03505	7.0
179.07027	0.6
180.04053	1.1
181.05026	0.7
192.07880	0.9
193.05133	1.8
201.12875	1.3
205.12279	1.4
207.06625	1.6
208.07286	0.5
212.03284	0.4
217.12361	1.0
221.08199	0.8
225.18584	0.7
241.57153	0.4
249.18654	0.8
261.11276	5.5
262.11826	1.1
271.43478	0.5
277.14444	3.5
278.14975	0.5
291.12344	1.8
305.13953	1.0
321.20740	0.4
331.22855	0.5
332.23495	0.6
333.20834	0.7
347.18616	0.7
347.25775	2.0
349.20041	1.3
349.23904	1.8
359.22159	2.8
360.22879	0.5
373.23489	0.6
375.21848	0.5
391.24921	100.0
392.25262	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	391.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23457	0.2
57.03451	9.0
57.03738	0.4
59.01389	1.1
61.98837	1.0
65.00348	0.5
66.36163	0.2
69.41496	1.8
70.85563	0.2
81.03464	4.6
83.01392	9.4
83.01875	0.5
85.02950	0.3
87.97134	0.2
95.05042	0.5
107.01404	0.6
108.02171	0.3
121.02975	0.6
123.04536	16.6
124.04836	0.7
125.02455	100.0
126.02789	3.9
139.04070	0.3
149.02460	1.1
151.00404	1.2
157.20520	0.3
159.62416	0.3
160.12592	0.3
167.03508	19.5
168.03848	1.0
265.18082	3.8
373.20032	1.0
391.21140	8.7
392.21695	1.6
404.59900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2129
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
50.48190	0.4
55.01893	0.5
57.03447	9.7
57.03732	0.5
59.01134	0.4
59.01367	2.5
61.98832	0.6
65.00339	0.8
69.03465	4.4
70.15112	1.2
71.05057	0.6
81.03455	3.2
83.01393	11.8
83.05026	0.6
85.02957	2.8
95.05037	0.8
97.02934	0.9
99.04533	0.8
107.01438	0.5
107.05055	0.7
109.02972	2.2
109.06590	1.4
111.00916	0.4
111.04516	4.7
113.02472	1.0
121.02960	1.3
121.84860	0.4
123.04536	5.4
125.02454	100.0
126.02787	3.8
127.04035	1.4
135.04556	1.1
137.02487	0.4
139.04051	0.7
141.01964	2.4
147.87872	0.4
149.02432	2.6
149.06157	0.5
151.00298	0.8
151.04042	3.7
153.01962	0.7
155.14409	0.5
167.03522	4.2
169.05128	0.4
173.06032	0.5
175.03929	0.7
178.02742	0.6
179.03491	1.3
181.15970	0.7
189.09201	0.7
190.06306	0.6
191.03561	0.7
191.07143	0.7
193.04999	0.8
195.17528	0.8
203.03465	0.8
217.05014	0.5
221.19008	1.2
237.16216	0.4
249.18617	0.8
265.18066	3.3
289.17953	0.7
291.19550	1.3
293.76074	0.4
329.21042	0.5
331.18771	0.6
344.61783	0.5
349.20206	4.3
350.20490	0.5
373.20126	3.0
374.20291	0.6
391.21082	33.3
392.21338	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	391.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94761	0.4
57.03450	12.7
58.47218	0.5
59.01389	4.7
63.02378	0.5
65.00323	1.8
67.01892	0.6
68.99824	0.4
69.56292	3.4
81.03465	8.4
82.03754	0.5
83.01394	9.0
83.05037	0.7
85.02966	3.1
85.06568	0.8
93.03436	0.6
95.01414	0.9
95.05027	1.8
97.06612	0.6
99.04514	1.0
107.01385	2.5
108.02192	0.8
111.04581	0.7
113.02450	2.1
113.06084	1.2
121.02962	0.8
123.04529	39.3
124.01677	0.6
124.04866	2.1
125.02450	100.0
126.02758	3.0
127.04057	1.3
139.03995	1.4
139.07713	0.7
141.05568	3.9
141.60982	0.5
149.02426	2.8
151.00397	6.5
151.03937	0.8
165.05580	0.6
166.06319	0.7
167.03500	84.6
168.03844	4.8
170.23262	0.5
178.06354	2.1
179.03616	0.5
179.07155	0.8
181.05110	0.9
184.23007	0.5
191.03482	0.8
192.07999	0.7
193.01424	32.9
194.01768	2.2
197.19131	2.2
221.19110	1.7
225.18614	0.8
249.18639	1.5
264.27518	0.5
265.18124	3.8
277.21902	0.8
295.73676	0.5
331.22891	2.3
332.23618	1.0
333.20889	1.4
345.24289	0.7
347.22263	0.6
347.25784	2.7
347.48376	0.6
349.23926	1.8
373.20035	0.8
391.25021	31.6
392.20984	0.8
392.25281	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	391.2491
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
55.01872	1.5
57.03444	1.5
58.98763	0.4
59.01386	2.9
71.60284	0.4
71.60702	0.4
79.01897	1.5
81.03461	2.2
83.01381	0.3
83.05026	5.6
83.36063	0.4
85.02961	0.8
85.06587	1.0
87.04506	0.4
95.05038	0.6
97.02964	0.5
99.08173	3.7
107.05058	0.7
109.02936	0.5
111.04530	1.5
121.06622	2.2
123.08170	37.2
124.08501	2.2
125.06126	0.5
125.09785	0.5
137.06081	0.7
137.09711	3.8
139.11256	0.4
141.05574	0.8
144.28268	0.4
149.06084	1.7
151.04044	0.4
151.11336	0.8
152.04796	1.3
155.14424	1.5
161.09723	1.6
163.07744	0.6
165.05646	0.5
167.07141	20.0
168.07462	0.6
179.03435	0.5
179.10829	1.2
180.04222	0.5
181.16019	0.7
189.12888	0.7
193.05014	1.8
207.06523	0.6
207.13951	2.0
223.17033	5.8
224.17395	0.8
225.18573	0.8
233.11818	1.5
235.20651	0.8
329.21268	0.6
329.24905	0.9
331.19003	0.7
347.25931	4.2
348.26282	0.4
355.19156	0.8
373.23755	1.0
391.24924	100.0
392.25259	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.249
Annotation	Acetoxy-[10]-gingerol
Peak:m/z	Relative Intensity
57.03189	0.7
57.03452	9.3
59.01147	0.8
59.01387	10.6
62.48518	0.6
65.00324	0.7
69.03465	1.0
69.82314	3.6
71.05025	1.2
81.03453	1.7
83.01397	5.2
83.05006	1.8
85.02958	2.4
85.06585	4.0
87.04558	0.8
95.01387	1.9
95.05022	4.1
96.02168	1.6
97.06601	5.8
99.04507	1.2
108.02168	3.1
109.02991	1.0
111.04510	3.3
111.08171	2.5
113.02476	0.6
113.06101	14.1
121.06639	1.4
122.03789	0.9
123.04529	4.1
124.05316	1.0
125.02457	33.4
125.06089	1.3
126.02827	0.9
131.79472	0.6
135.04504	0.8
137.06133	3.8
139.04028	4.2
139.07686	3.7
141.05594	32.8
142.05930	1.4
153.02023	0.8
161.06082	1.1
163.04068	1.6
163.07600	0.7
165.05588	3.5
166.06389	5.4
167.03490	2.4
176.08490	0.8
177.05576	0.8
178.06367	9.7
179.07140	3.6
181.05077	5.2
181.08690	1.3
183.06569	0.7
191.03520	1.3
192.07903	4.4
225.18585	2.9
249.18634	8.5
250.18713	0.9
265.21716	2.1
277.21838	0.7
305.24881	2.1
310.96805	0.8
321.20676	2.1
329.25046	1.3
331.22705	4.1
332.23569	3.6
333.20721	5.3
334.21054	1.5
345.24341	2.5
347.22113	1.3
347.25769	8.3
348.26324	1.1
349.23987	9.1
350.23944	1.1
373.23792	1.6
387.40237	0.7
391.24939	100.0
392.25266	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	391.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.0
58.68174	0.6
59.01371	2.6
61.68345	0.7
71.05025	4.4
81.03463	1.6
83.05016	1.7
85.02950	2.1
95.04977	0.8
97.02981	1.4
99.04503	3.2
107.05051	2.1
109.02970	7.8
109.06604	2.1
111.04498	2.5
113.02431	1.6
123.04539	5.6
125.02489	3.5
125.06110	3.4
127.04011	8.0
127.11315	7.5
135.00897	0.8
135.04573	1.0
137.06096	1.0
139.04030	1.0
151.04013	9.2
152.04811	1.3
153.05579	4.3
153.12836	2.6
154.06001	0.8
163.04047	1.3
163.07669	0.9
164.04773	0.8
165.05495	1.1
167.03485	2.0
169.05029	0.9
177.01917	1.7
177.05600	1.1
178.02748	1.3
178.06375	2.0
181.05057	1.6
190.39255	0.7
191.03485	1.1
191.07117	0.7
193.04903	1.1
196.03752	0.7
203.07088	0.9
205.05028	1.0
206.05827	2.1
207.06474	1.0
217.08745	2.6
219.10143	1.1
221.15445	1.7
229.59216	0.8
239.16559	0.8
263.16541	1.1
278.29016	0.7
300.53952	0.9
329.21280	1.1
331.19128	2.8
335.18716	4.7
336.19016	1.0
345.20547	1.3
349.20306	2.3
355.18948	1.0
373.20193	15.0
374.20538	2.4
391.21259	100.0
392.21613	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12046	0.4
55.62912	0.4
57.03453	3.9
59.01389	1.1
63.02390	1.9
65.00324	1.6
69.45570	3.3
81.03463	3.0
83.00599	0.6
83.01392	6.0
85.02956	1.7
85.13815	0.4
91.09004	0.6
95.01441	0.5
95.05058	0.6
98.20594	0.9
99.04535	0.7
105.03482	0.5
107.01404	2.8
111.04565	0.5
123.04520	5.7
125.02466	43.5
126.02788	1.9
137.06146	0.5
141.05571	0.7
141.12857	1.2
149.02431	1.6
149.06157	0.5
151.00391	4.6
159.04515	0.5
161.02478	0.7
167.03525	8.6
169.01450	0.6
177.01895	0.6
190.02734	5.3
191.03549	4.0
193.05061	1.8
203.03514	3.5
205.05087	1.0
219.06653	1.4
265.18051	1.5
373.20010	0.9
378.74942	0.5
391.21265	100.0
392.21640	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	391.2127
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
55.01868	2.2
57.03440	6.1
59.01383	6.7
63.43168	2.0
69.52936	5.9
69.53364	9.8
71.05022	6.3
79.01893	5.9
81.03459	2.9
83.04975	2.8
85.02959	67.8
85.03451	4.1
85.33717	2.1
86.03279	3.4
87.00866	3.1
90.18578	1.9
93.03479	2.9
95.05060	11.7
97.02925	2.9
98.19872	3.8
99.04518	8.5
113.06051	2.4
118.18866	2.5
123.04523	32.9
124.01651	4.2
125.02446	21.5
137.02457	3.0
137.06142	5.0
138.03262	5.6
141.05606	8.5
151.00391	5.0
151.03958	2.6
152.04803	3.6
165.01875	3.1
165.05582	3.4
166.02721	4.4
167.03491	7.9
170.02191	2.5
178.06366	8.3
179.03494	3.9
179.07106	2.5
184.03677	2.5
205.15970	7.8
247.17006	7.6
277.21719	3.7
287.20334	5.3
291.19870	9.4
292.19543	2.1
317.17523	3.5
329.21246	42.8
330.21570	6.3
331.19159	100.0
332.19458	13.9
355.19440	2.6
359.84576	2.5
373.20239	6.7
374.20905	8.2
391.24884	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60728	0.4
57.03191	0.6
57.03453	10.4
57.55657	0.4
58.00582	0.5
59.01374	1.9
60.68073	0.4
62.96986	0.4
63.34608	0.4
65.00319	1.1
66.20494	0.5
71.05025	0.6
81.03462	14.6
82.03813	0.6
83.01374	3.4
83.05033	1.0
85.02964	1.8
87.04517	11.5
87.23193	0.4
91.37581	0.5
95.01375	0.9
95.05022	0.5
97.06605	0.6
99.04588	0.5
103.91351	0.5
107.01387	0.8
109.06606	0.4
121.10226	0.4
122.03730	2.2
123.04543	0.7
124.01645	0.8
125.02456	36.2
126.02793	1.5
135.04526	0.5
151.00374	1.8
152.01173	0.7
153.05571	0.8
177.12872	0.8
179.03485	1.0
217.15974	1.5
229.27541	0.5
234.51649	0.4
247.17070	0.5
259.17053	6.6
260.17245	0.5
261.11255	0.4
280.01468	0.5
289.18176	0.4
303.16107	2.5
305.21146	1.3
347.22433	0.6
391.21286	100.0
392.21625	18.1
392.26791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2127
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
51.37411	0.4
53.54890	0.3
55.01873	0.5
57.03459	2.3
59.01382	3.4
64.38686	0.4
65.27359	0.4
67.01884	0.4
69.03442	0.5
69.46272	1.4
69.46704	1.6
71.05022	4.5
81.03460	0.5
83.01382	0.4
83.05050	1.9
85.02952	3.2
95.01391	0.6
95.05030	0.7
97.02953	0.9
97.06597	0.9
99.04517	3.9
107.05043	2.1
109.02951	4.6
109.06620	1.4
111.04517	3.1
113.02439	0.9
116.34815	0.4
119.04994	0.5
121.06603	0.6
122.03726	1.0
123.04536	4.3
123.08273	0.6
124.40149	0.4
125.02462	1.4
125.06119	3.1
127.04025	8.0
135.00864	0.5
135.04504	1.8
136.05281	0.9
137.02460	1.4
138.03209	0.5
141.05527	0.5
149.02438	1.1
149.09729	1.0
151.04025	4.6
152.04820	2.3
153.01961	1.1
153.05605	4.0
161.06131	0.4
162.06873	1.1
163.04070	2.1
163.07680	0.4
164.04800	2.6
165.05498	1.4
167.03485	1.4
167.07101	0.4
169.05046	1.1
172.74626	0.4
177.01926	2.9
178.02724	2.9
178.06371	3.9
179.03334	0.7
179.06847	0.5
181.05067	2.1
191.03522	2.3
191.10811	0.6
192.04118	0.6
194.05792	0.5
196.03757	0.9
205.05077	1.4
205.77159	0.4
206.05844	5.6
207.06360	0.7
209.04425	0.7
210.05347	0.6
239.16592	0.4
273.15033	0.5
275.16415	0.5
287.76071	0.4
291.19736	0.5
301.14435	1.9
303.12305	0.9
319.15524	0.5
331.19199	4.2
332.19791	1.1
335.18640	5.7
345.20694	3.8
346.20999	1.0
347.22235	1.2
349.20218	1.0
373.20227	23.4
374.20633	4.0
376.18890	1.3
391.21262	100.0
392.21603	16.7
392.29269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
59.01382	100.0
60.01717	0.9
68.62962	0.7
69.60958	4.0
70.38408	0.6
71.01392	7.5
73.02962	2.0
79.95736	0.6
83.01414	1.0
83.81357	0.6
85.02978	2.7
89.02467	1.3
96.95999	1.0
99.00906	0.9
101.02456	5.5
113.02451	2.6
116.85130	0.7
119.03473	0.7
125.02512	0.8
145.61453	0.6
150.03261	0.7
159.03000	1.1
161.04575	7.3
165.05673	0.9
169.01411	0.9
178.93558	0.7
190.85931	0.6
331.17554	7.0
391.19745	1.3
391.27249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50403	0.4
59.01383	100.0
60.01718	1.4
61.98830	1.0
70.01331	0.4
70.01660	1.5
71.01384	2.9
73.02967	1.1
81.37869	0.3
83.01426	0.5
85.02963	1.1
89.02443	0.9
95.01366	0.5
96.96041	1.1
100.12419	0.3
101.02458	2.5
113.02486	1.4
118.97110	0.3
135.45244	0.3
159.03023	0.5
161.04521	2.5
169.01530	0.4
180.41162	0.3
280.33115	0.3
312.18347	0.4
331.17694	1.7
382.55350	0.3
391.19070	0.3
391.27164	0.8
392.14001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.3
58.00604	3.4
59.01381	2.2
60.88381	0.3
65.00320	1.2
65.64759	0.3
66.62603	0.3
68.86497	0.3
69.03443	0.8
71.01363	0.4
71.59958	0.5
72.78847	0.4
73.02944	2.4
79.01891	0.4
81.03464	19.3
82.03808	0.5
83.01392	4.1
83.05031	0.9
85.06601	1.0
86.27467	0.3
93.03435	0.4
95.01382	0.4
95.05016	0.8
97.06580	1.5
99.00855	0.4
99.04523	0.8
107.01401	1.1
107.05013	0.4
109.06609	2.8
111.04507	0.7
117.97551	0.4
119.08611	0.4
121.10228	0.5
121.88797	0.3
122.03736	1.0
123.00827	0.5
123.04539	0.6
123.08147	0.6
124.01701	0.6
125.02454	41.7
126.02806	1.5
127.07645	2.0
135.04541	0.7
135.08170	1.3
137.02411	0.4
137.06104	0.6
137.09738	2.6
139.04025	0.7
151.00406	1.5
151.07541	0.4
152.01212	0.6
153.05582	5.5
153.09163	0.6
155.07172	0.4
161.09727	0.4
165.02028	0.4
165.09200	0.5
166.02611	0.6
177.09262	0.5
177.12804	1.5
179.03552	1.0
179.10742	0.8
181.49863	0.3
194.11221	0.4
207.06618	0.5
211.13440	0.5
219.13899	4.2
220.14275	0.5
236.84749	0.3
237.11398	0.6
263.12878	1.7
265.10696	0.3
281.10327	0.8
301.00043	0.4
305.21405	0.4
321.13400	0.6
347.18375	0.4
349.20273	0.5
391.21286	100.0
392.21609	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	391.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03187	1.0
57.03453	13.6
59.01389	5.3
62.11121	0.6
64.07763	0.6
65.00349	1.7
68.99795	0.6
69.03445	1.0
70.13515	2.7
81.03471	7.4
83.01394	10.1
83.05063	0.6
85.02959	3.0
85.06595	1.2
95.01394	1.8
95.05019	1.9
96.02202	0.6
97.02935	0.6
97.06580	1.4
99.04538	1.6
103.53719	0.5
107.01391	2.1
108.02113	0.9
108.73753	0.7
111.08136	2.0
113.02454	3.0
113.06111	3.8
123.00875	0.8
123.04537	39.3
124.01682	1.8
124.04845	1.6
125.02455	100.0
126.02763	3.6
127.04004	1.6
128.52364	0.6
137.02385	0.7
137.06071	1.0
139.03989	2.2
139.07608	0.8
141.05577	7.6
149.02411	3.0
151.00386	5.5
152.01169	0.7
153.01978	1.0
165.05641	0.7
166.02716	0.7
166.06381	1.4
167.03505	86.9
168.03867	4.6
170.10611	0.6
178.06383	2.3
179.03566	1.2
179.07053	0.6
181.05109	1.6
192.07961	1.3
193.01425	34.8
194.01761	1.8
197.19086	3.4
221.19154	1.6
225.18509	0.9
249.18727	1.7
265.17996	3.9
277.21954	0.7
305.24811	0.7
321.20642	1.1
331.22849	2.9
332.23615	1.7
333.20663	1.1
347.22433	0.8
347.25961	4.4
348.26404	0.8
349.23981	3.4
391.25003	50.6
392.25259	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	390.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.8
59.01366	8.0
61.98524	5.2
61.98835	100.0
63.20173	2.8
69.03438	2.7
70.09890	6.3
70.10288	5.4
70.82801	2.5
73.67586	2.6
75.77073	2.6
83.01405	4.3
85.02962	10.6
88.37656	2.8
95.05029	2.9
96.36742	2.9
97.02978	4.2
113.02450	13.2
123.04562	4.8
125.02464	10.1
127.09245	2.8
138.03355	3.9
139.03972	4.8
141.01935	6.1
149.82967	2.8
166.02644	7.2
167.03423	4.7
193.05077	3.1
234.15813	4.9
327.15964	29.2
328.16193	5.8
330.21603	8.7
346.24991	5.6
349.20172	6.4
390.23685	96.6
391.20721	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	390.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01379	6.7
61.98836	100.0
69.54937	9.8
76.70260	1.3
81.03456	3.4
83.01403	2.6
83.05051	1.7
85.02960	6.1
95.05041	2.2
97.02966	1.6
98.20605	2.6
102.66343	1.3
111.58916	1.3
123.04539	2.3
125.02472	2.9
131.44664	1.4
139.04008	1.9
141.01926	5.3
153.05592	1.7
216.55399	1.3
234.49556	1.4
249.18651	1.8
256.47845	1.3
269.58817	1.3
323.96982	1.6
327.16043	26.1
328.16422	3.4
346.24777	2.7
349.20282	8.0
390.23636	14.9
391.21039	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	390.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94876	1.4
57.03453	9.1
59.01382	13.0
61.98833	100.0
65.00336	4.0
66.51699	1.7
71.01418	1.6
71.29343	1.7
81.03472	3.2
83.01396	6.6
83.05022	2.4
85.02934	3.0
85.08970	1.6
95.01377	2.6
95.05032	3.2
97.02962	2.7
98.20627	5.2
99.04550	2.5
109.02966	2.2
111.04530	3.8
113.02448	4.1
113.84061	1.6
123.04519	10.9
123.08151	1.9
125.02453	66.6
127.04026	3.3
129.71449	1.7
135.04582	1.8
138.03244	38.3
139.03987	4.8
151.03981	2.8
153.05585	88.1
164.04855	2.0
165.12830	2.0
167.03508	2.4
168.00632	3.3
174.27176	1.5
179.03523	5.9
180.04294	9.7
192.05786	1.9
193.05109	1.7
195.06639	12.8
207.06534	6.0
269.71005	1.6
287.16470	1.8
302.21823	2.3
317.90378	1.6
327.12131	2.1
327.16010	26.8
327.19669	3.4
328.16235	4.3
328.19998	7.9
329.20847	2.6
346.20996	4.5
347.18613	9.2
373.20117	9.4
376.15372	8.1
390.19821	12.1
390.24402	14.0
391.21274	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31649	2.8
59.01387	31.8
60.01721	3.8
61.81105	3.3
61.98832	100.0
69.29749	31.0
85.02927	3.8
96.96033	6.4
98.19788	5.2
101.96042	3.2
113.41757	3.3
118.69765	2.8
137.89362	3.2
139.03947	3.2
142.79242	3.1
153.19308	3.1
167.10709	3.9
168.11102	7.8
192.75113	2.9
224.95309	2.7
256.38034	2.9
258.92947	2.9
305.91214	3.0
391.17349	5.8
391.21576	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97944	1.8
59.01378	12.4
61.98835	100.0
69.78666	10.9
71.34572	1.7
81.03474	2.0
83.05022	2.6
87.04533	1.9
96.96011	10.8
124.01680	6.8
125.02438	7.1
125.72320	1.9
139.04013	22.5
195.06685	2.9
196.07072	2.3
209.08220	3.4
210.08478	5.4
227.27266	1.9
390.19958	4.0
391.17047	14.8
391.21942	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	391.1038
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
56.89159	0.3
57.03448	0.8
59.01386	10.3
63.02402	0.4
63.96243	0.4
65.00327	6.3
71.01392	2.6
71.61474	0.4
72.99323	0.3
73.02950	1.1
74.99100	3.6
77.13775	0.3
83.01392	4.0
85.02956	1.2
87.00888	0.6
87.04507	0.3
89.02443	1.6
93.90584	0.3
95.01418	0.5
96.96020	0.8
97.06541	0.3
99.04498	0.5
101.02471	1.7
101.04011	0.4
103.04031	0.4
107.01405	8.5
111.00884	0.3
111.64287	0.3
113.02477	1.3
113.06141	0.4
117.05620	0.5
119.03534	0.6
119.05032	2.8
120.99677	1.0
121.02979	2.9
124.01734	0.3
125.02432	2.3
131.07133	0.7
135.04486	0.5
135.98322	0.4
136.99162	3.7
137.02449	0.6
139.11388	0.4
143.05022	2.9
145.02969	9.8
147.04639	0.4
149.02396	0.7
150.03229	2.2
151.00381	18.3
151.04008	0.8
152.00719	1.1
157.06541	0.4
161.02484	0.6
161.04700	0.5
161.06056	4.5
165.05569	2.2
169.01431	0.8
171.60641	0.4
180.07671	0.3
183.10248	0.6
185.06100	9.2
186.06427	0.5
187.04083	0.5
195.06609	1.5
216.38702	0.4
225.05586	1.1
226.06036	0.5
227.03502	0.5
229.05066	100.0
230.05380	8.2
231.10489	0.4
243.12410	0.8
253.05089	1.4
265.09549	0.4
271.06186	2.2
285.04572	0.4
293.12415	0.7
300.99969	1.4
316.03302	0.5
331.17975	0.3
343.11786	0.8
373.14981	0.7
391.02902	0.7
391.10648	5.4
391.15765	1.0
391.19479	1.4
391.27011	1.5
391.52805	0.4
392.10654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2701
Annotation	4651-67-6
Peak:m/z	Relative Intensity
55.01880	0.7
57.03449	1.4
64.56719	0.4
67.78044	0.4
69.70557	1.7
69.70969	1.3
76.58434	0.4
79.01895	1.1
81.03468	0.5
87.04477	0.7
95.05022	3.2
99.08175	2.5
107.05060	0.9
108.95259	0.5
115.14161	0.5
119.68756	0.5
121.06590	1.5
123.04494	0.5
123.08179	9.3
135.04498	0.6
147.08125	0.8
149.06082	2.1
150.06941	0.7
152.04877	0.5
165.09200	3.4
165.56717	0.5
167.07149	11.2
168.07526	0.6
179.03592	0.6
189.05592	0.8
193.05029	1.3
194.05838	0.7
194.23152	0.5
207.06566	3.2
221.18921	0.6
239.20012	0.5
263.20044	1.0
275.23892	0.7
345.27991	27.5
346.28366	4.5
389.26984	100.0
390.27338	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
62.22750	6.0
69.87593	31.2
87.00883	23.6
174.29330	6.8
217.09268	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	389.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
60.82744	0.7
70.59489	1.6
70.59855	1.5
73.02966	1.1
74.60995	0.7
74.69937	0.7
79.01891	3.6
85.06593	5.4
97.02975	1.4
107.05061	1.3
109.06605	9.3
111.04522	5.8
111.93613	0.9
135.04556	2.8
153.05595	21.1
154.05899	1.2
179.03564	2.5
180.04330	0.9
219.95996	0.7
234.56841	0.7
277.21875	1.2
289.25552	1.6
297.16577	0.8
308.97253	0.9
345.28021	23.6
345.32086	1.7
346.28290	4.2
348.39078	0.8
389.27014	100.0
390.27383	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	389.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90758	0.4
54.16421	0.5
57.03465	2.8
59.01380	1.9
65.00332	2.4
70.93385	1.2
73.84518	0.5
81.03466	28.1
82.03820	1.0
83.01406	2.5
95.98309	0.5
103.02271	0.5
107.01383	1.4
107.45941	0.4
122.03768	3.6
124.01633	0.6
125.02460	7.5
135.04564	0.9
151.00388	2.4
166.98796	0.5
191.56866	0.5
281.24948	1.1
293.62311	0.6
303.27042	2.5
305.24860	6.9
306.25211	1.0
345.27994	29.8
346.28290	5.2
371.26083	0.8
389.27005	100.0
390.27371	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	389.2701
Annotation	4651-67-6
Peak:m/z	Relative Intensity
53.98107	0.4
57.03444	0.8
59.01386	0.5
69.53726	3.2
79.01903	2.0
80.02718	0.5
83.01379	0.6
87.04499	0.6
95.05040	2.4
97.02967	0.5
99.08163	1.9
101.66071	0.5
107.05018	0.8
109.03003	0.7
121.03023	0.5
121.06577	0.8
123.08179	7.3
125.02462	1.0
135.04538	1.1
137.02483	0.9
138.03267	5.0
139.03871	0.8
147.08221	0.5
149.06068	1.7
151.00397	0.9
151.03978	0.8
152.04851	0.8
153.05583	3.9
165.01913	3.0
165.05583	0.6
165.09174	1.8
166.02744	6.8
167.03177	0.6
167.07158	6.4
170.02232	1.1
179.03467	1.5
180.04353	2.5
189.05650	1.2
193.05096	3.9
194.05705	0.5
207.06630	2.0
208.07208	0.6
221.08182	1.3
263.20227	0.6
275.12918	2.2
275.23737	0.7
289.14362	1.4
312.54315	0.5
320.05884	0.5
345.27997	19.3
346.28342	2.5
350.72171	0.5
371.26086	0.7
389.26996	100.0
390.27325	15.9
399.63913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.8
59.01367	1.2
65.00330	0.8
65.89706	0.4
69.85326	2.3
71.05028	6.9
73.02939	1.0
79.01920	2.4
81.03473	0.5
87.00890	0.6
93.03431	0.8
95.05033	16.0
96.05388	0.6
97.02952	3.2
97.06577	1.5
109.02951	0.4
109.06607	0.5
111.08144	0.9
111.21665	0.4
113.09751	2.2
121.02964	1.9
125.02483	0.4
127.11308	7.4
129.09203	1.2
135.16206	0.4
137.09732	4.5
138.03235	0.7
139.04025	33.6
140.04344	1.6
148.05363	0.6
151.11299	0.7
153.12820	1.3
160.97375	0.4
161.09673	0.5
165.01932	3.0
166.02689	1.6
167.14421	0.8
175.11296	0.4
177.12889	0.9
179.03285	0.5
182.31239	0.5
191.14452	2.5
193.05092	0.7
193.15947	0.6
212.84406	0.4
247.17189	0.4
249.18613	2.3
285.22336	0.6
291.19656	1.1
303.23441	1.0
345.24341	4.2
346.24686	0.9
348.32831	0.4
371.22137	0.7
372.65048	0.4
389.23349	100.0
390.23700	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	389.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03454	0.9
59.01385	0.3
65.00340	0.7
66.78948	0.3
69.03477	0.3
69.57936	1.8
71.05031	15.5
72.05388	0.3
77.03978	0.3
79.01909	0.8
79.95721	0.3
80.96537	1.2
83.01402	2.6
87.00881	0.3
95.05041	1.7
97.02966	7.2
97.21014	0.3
99.82463	0.3
111.22884	0.3
121.02970	0.6
125.02456	4.8
126.02806	0.5
134.97617	0.3
135.04486	0.7
137.06113	1.1
139.04030	100.0
140.04362	4.8
159.33452	0.3
163.03992	1.3
165.01964	1.0
179.10838	0.3
181.05125	1.5
197.11832	0.8
198.12215	0.4
201.43665	0.3
207.20805	0.3
221.51512	0.3
225.00682	0.4
249.18579	5.0
250.18994	0.4
255.23352	0.8
263.19962	0.4
299.04498	0.6
334.83878	0.3
389.19016	0.8
389.23190	5.9
389.69247	1.0
390.23679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03185	0.7
57.03453	7.9
59.01381	1.8
63.95801	0.4
65.00320	1.3
69.03461	1.0
69.61979	0.9
69.62389	2.3
71.05022	6.4
73.08051	0.6
79.01900	2.5
81.03460	1.8
83.01379	3.1
83.04994	0.4
85.02970	0.9
93.03477	0.6
95.01372	0.7
95.05035	10.7
97.02965	3.6
97.06602	1.3
98.20599	1.0
107.05004	0.4
109.02975	1.0
111.08150	0.5
112.48412	0.4
113.02451	1.1
121.02938	1.9
122.03752	1.4
123.04533	4.6
125.02452	41.1
126.02775	1.3
130.27119	0.5
135.04507	1.1
136.05318	1.6
137.02544	0.7
137.06073	0.8
137.85614	0.5
138.03246	0.5
139.04015	24.5
140.04324	1.4
141.05605	1.1
151.00400	0.7
153.01949	0.6
153.05595	0.7
163.04095	0.5
165.00737	0.5
165.01945	2.5
166.02690	1.4
167.03500	3.8
176.04837	0.7
177.12808	0.6
189.05615	0.4
193.05115	0.8
215.03702	0.5
231.17526	1.3
250.21138	0.4
258.16208	0.9
263.16479	1.2
273.18555	5.0
274.18973	0.9
287.20184	1.2
312.70715	0.5
317.17682	2.1
329.17462	0.8
329.21115	0.9
345.24304	1.3
346.24924	0.5
347.18686	0.9
347.22299	0.9
371.22528	1.0
389.23383	100.0
390.23709	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37894	0.7
55.25935	0.6
56.89898	0.7
57.03459	4.3
59.01369	1.3
63.02388	1.1
65.00329	3.3
69.03465	1.6
71.05022	1.1
71.60478	1.0
79.95776	0.9
80.96532	3.7
81.03466	2.1
83.01365	0.9
85.02955	2.2
93.03473	1.6
94.98083	1.2
95.01374	4.2
97.02987	2.4
107.01376	1.7
111.00893	0.7
111.04518	2.0
116.52007	0.7
123.00882	1.8
123.04528	2.2
124.01667	30.5
125.02450	2.2
127.55373	0.7
135.04529	2.7
137.02449	2.5
139.04019	100.0
139.11345	1.0
140.04358	5.4
148.99109	0.8
149.06097	1.7
151.00368	6.3
151.04028	1.4
152.01155	7.8
155.14427	6.5
156.19226	0.7
157.06622	1.3
164.01117	1.5
165.01955	7.5
166.02740	3.4
167.03473	3.8
173.09683	1.9
179.03499	26.0
180.04045	1.4
181.05112	1.2
181.15872	0.6
189.01984	0.7
190.02705	2.1
193.05049	5.3
197.11859	2.9
198.06877	0.8
199.03967	0.7
199.07666	1.3
212.03227	0.9
215.07150	1.6
217.08687	3.5
219.06618	3.1
222.01788	1.4
225.00768	1.0
233.08189	30.1
234.08530	2.7
255.23267	2.3
259.61911	0.8
299.04395	1.8
307.19156	1.7
357.20761	1.6
371.22372	2.5
389.23346	91.7
389.69366	0.9
390.18896	1.5
390.23694	17.6
393.06155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.197
Annotation	Claviridic acid B
Peak:m/z	Relative Intensity
57.03443	8.5
59.01372	3.6
69.51933	6.5
69.52357	9.9
71.05005	10.2
79.01898	9.2
81.03452	6.4
83.05013	3.3
85.02956	76.8
87.00879	5.2
95.05029	17.1
98.19846	4.2
99.04524	6.7
109.06614	2.8
123.04543	45.9
123.08142	9.3
124.01676	4.2
125.02450	31.2
127.11233	2.5
135.04471	4.3
137.02440	2.6
137.06177	2.9
138.03238	7.2
139.03989	7.3
141.05548	8.7
151.00336	9.2
152.04819	4.5
158.19067	2.5
165.02045	3.3
165.05608	3.8
166.02794	6.7
167.03479	6.9
167.07124	8.2
170.02252	3.2
178.06308	8.6
179.03586	3.7
203.14397	4.3
245.15477	2.6
261.24771	2.6
289.18094	10.5
301.18085	3.0
315.16028	2.8
327.19653	47.8
328.19907	8.1
329.17566	100.0
330.18079	14.0
345.20432	3.8
371.18631	10.6
372.19250	5.2
378.42953	2.4
389.23508	26.4
390.23645	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	389.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.7
60.59338	0.5
60.90015	0.5
62.17153	0.4
63.02393	2.4
65.00328	1.9
69.03463	0.5
69.54682	3.7
81.03457	1.4
83.01371	1.2
83.39300	0.5
93.03477	0.6
94.51468	0.5
95.00893	0.5
95.01386	3.2
95.05043	0.8
97.02967	1.3
107.01424	0.5
111.00876	1.0
111.04443	0.6
121.02955	0.6
123.00906	1.7
123.04485	1.2
124.01672	32.5
125.02557	2.3
127.11423	0.9
135.04539	1.6
137.02484	2.2
137.09698	0.7
138.03232	0.6
139.04028	64.4
140.04376	2.2
149.99626	0.7
151.00357	3.2
152.01173	18.7
153.01491	0.5
156.02689	0.5
165.01968	5.7
166.02716	3.5
179.03520	10.1
180.04140	0.9
193.05066	2.1
201.12865	0.7
207.06644	1.6
212.03178	0.6
217.12328	2.0
221.08215	1.7
226.06213	0.5
247.09779	1.6
261.11343	10.6
262.11737	1.3
313.21814	0.7
317.13882	1.3
345.24701	0.5
389.23334	100.0
390.23712	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	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78085	3.5
52.72183	3.3
57.03442	12.4
64.48738	3.3
69.55515	22.5
71.05018	9.5
79.01899	15.1
80.73163	3.2
85.02951	84.2
87.00904	3.7
95.05035	19.3
99.04492	10.0
123.04536	51.5
124.01656	5.5
125.02454	28.8
135.04517	4.0
138.03256	10.8
139.03981	10.4
141.05560	9.1
151.00383	8.7
152.04785	4.4
163.04002	4.4
165.05534	5.4
166.02742	8.7
167.03540	9.6
170.02206	4.5
178.06314	10.4
179.03531	4.8
184.03798	6.4
203.14445	5.2
245.15506	3.8
275.19931	4.0
285.18420	6.2
289.18112	16.3
301.18332	3.5
327.19714	45.5
328.19708	5.4
329.17599	100.0
330.17996	19.7
371.18738	11.2
372.19537	9.0
389.23328	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	12.0
65.00323	0.5
69.42126	2.7
71.05025	1.4
72.72394	0.4
79.01887	0.6
80.16388	0.3
81.03474	2.9
83.01396	5.4
83.05050	0.4
85.02972	0.7
95.05025	3.5
97.02943	0.7
108.02161	0.3
113.02448	0.4
121.02986	0.9
122.50035	0.3
123.04536	9.9
124.04906	0.5
125.02456	100.0
126.02812	4.1
126.05615	0.3
135.04559	0.6
139.04019	6.4
149.02493	0.5
151.00406	1.1
157.80806	0.3
165.01907	0.7
167.03505	7.3
263.16565	2.9
287.20245	0.7
329.17514	0.6
345.24405	1.1
371.18576	1.0
389.19720	1.6
389.23441	26.1
390.19501	0.5
390.23767	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	389.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.8
60.50312	0.2
60.66457	0.2
61.98848	0.3
65.00329	0.8
67.22886	0.2
69.52339	1.5
72.73428	0.2
75.40009	0.2
81.03472	2.2
83.00900	0.5
83.01399	9.5
85.02953	0.3
95.05036	0.3
97.02956	0.3
107.01418	0.7
109.02972	0.6
109.06606	1.3
121.02987	1.1
123.04527	1.8
125.02460	100.0
126.02799	4.1
127.11307	0.5
135.04578	0.2
149.02443	1.6
151.00356	0.7
151.07710	0.4
153.05591	0.5
153.12917	1.4
167.03493	4.0
219.17590	0.5
221.15486	1.3
227.16235	0.2
263.16547	3.9
264.16977	0.3
292.43100	0.2
308.05377	0.2
327.19620	0.4
343.15598	0.3
345.20828	0.5
347.18649	0.2
371.18704	0.5
389.19495	5.0
390.19858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1971
Annotation	Longikaurin C
Peak:m/z	Relative Intensity
57.03445	5.4
59.01383	1.8
65.00323	1.3
69.03487	1.0
69.54311	1.6
69.54720	4.7
73.02947	1.3
81.03465	12.9
83.01388	2.4
83.05030	3.0
85.02955	10.2
87.00871	2.8
95.01414	1.9
95.05059	0.8
95.07112	0.7
97.02917	0.8
97.06600	1.2
99.04514	0.7
102.12032	0.8
104.57375	0.9
109.06604	1.3
111.04524	0.8
122.03774	0.8
123.04508	2.0
124.01643	2.2
125.02452	30.9
126.02785	1.3
135.04559	1.0
151.00389	4.4
152.01132	2.6
153.05623	5.4
166.02748	3.9
167.03535	1.2
179.03477	3.0
180.04056	0.9
197.51099	0.7
231.13756	1.0
245.15433	1.2
258.08527	0.9
261.93033	0.8
261.95786	0.8
271.17001	2.5
283.16931	1.0
289.18076	4.2
301.18460	1.0
315.16107	3.0
321.30298	0.8
327.15967	0.8
329.17520	2.3
371.18735	6.5
372.18896	0.9
389.19687	100.0
390.19986	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	389.1971
Annotation	Kadangustin H
Peak:m/z	Relative Intensity
51.32074	0.2
55.20447	0.3
57.03453	9.7
59.01385	0.6
65.00336	0.4
69.02219	0.3
69.51147	1.8
78.03396	0.3
79.01899	0.4
80.10167	0.3
81.03468	2.6
83.01395	9.6
83.05022	0.4
84.01699	0.3
96.56590	0.3
98.20575	0.6
105.03460	0.5
107.01388	0.8
121.02953	0.7
123.04556	1.4
125.02454	100.0
126.02789	3.9
138.03261	1.4
139.03999	0.5
149.02443	1.6
149.09712	0.3
151.00381	0.7
153.05574	4.5
154.05858	0.3
156.24071	0.2
156.34074	0.2
165.01994	0.5
166.02762	0.8
167.03452	2.0
179.03506	1.1
180.04327	0.8
191.10768	0.3
193.05058	1.6
195.06619	0.7
233.19157	0.3
263.16565	2.4
315.16107	0.5
329.08115	0.3
371.18604	1.9
389.19696	14.5
390.20020	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	389.1971
Annotation	Longikaurin C
Peak:m/z	Relative Intensity
50.47706	0.5
54.49236	0.5
57.03451	4.4
59.01373	1.6
59.81725	0.5
65.00337	0.7
66.61983	0.5
69.03453	1.1
71.01385	0.6
72.12021	0.5
73.02951	2.1
79.01904	1.3
81.03463	8.2
83.01391	2.2
83.05041	0.9
85.02959	11.0
85.06606	2.5
87.00889	2.8
95.01399	1.1
95.05007	1.0
97.02943	1.4
97.06584	1.4
99.04523	1.4
107.01439	0.5
107.05069	0.8
109.06607	3.7
111.00903	0.8
111.04523	2.4
121.06606	0.6
122.03757	0.9
123.00910	0.6
123.04535	1.7
123.08140	0.6
124.01665	1.6
125.02457	21.0
126.02761	0.9
133.06610	0.7
135.04520	1.8
139.04068	0.6
145.10234	0.9
148.05251	0.5
151.00348	2.4
151.04027	0.5
151.07651	1.6
152.01167	1.9
152.04774	0.9
153.05589	24.2
154.05914	1.3
161.09766	0.5
163.07753	0.7
165.01930	0.8
166.02687	2.6
167.03546	1.3
179.03493	3.8
180.04282	1.2
193.05075	1.1
194.05789	1.9
195.06615	2.2
207.06607	2.1
219.13898	1.2
221.15547	1.0
245.15553	0.9
261.11386	1.1
263.13196	0.6
271.17087	1.1
281.74918	0.6
289.18103	4.9
290.18658	0.6
291.12399	0.8
295.46066	0.6
315.15936	2.7
316.16272	0.6
317.49918	0.6
329.17538	3.5
345.16931	1.0
371.18661	4.1
389.19696	100.0
390.20029	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	389.1971
Annotation	Pregomisin
Peak:m/z	Relative Intensity
52.57787	0.4
55.01884	1.0
57.03444	1.9
59.01381	0.7
65.00339	0.7
66.72562	0.5
69.03455	1.2
69.30035	0.5
70.03577	2.5
71.01381	0.5
71.05010	0.6
73.02950	1.8
79.01892	2.1
81.03471	4.0
83.01367	1.2
83.05025	0.9
85.02954	6.7
85.06580	4.6
87.00884	1.2
95.01381	0.9
95.05022	1.6
97.02948	1.4
97.06581	3.0
99.04535	0.5
101.17367	0.4
104.77377	0.5
105.42784	0.4
107.04995	0.5
109.06596	7.3
111.00868	0.5
111.04537	5.6
111.08141	0.6
112.04868	0.5
123.04510	1.3
124.01653	0.7
125.02451	14.5
125.31911	0.5
126.02763	0.9
135.04498	1.7
138.03145	0.5
139.04002	0.9
145.10251	0.9
151.00360	1.1
151.04085	0.9
151.07660	3.9
152.01125	1.2
152.04779	0.6
153.05579	39.9
154.05875	2.2
165.05539	0.5
166.02707	1.6
167.03523	1.5
179.03528	5.5
180.04259	3.0
193.05084	1.3
194.05826	3.0
195.06616	4.2
195.71808	0.5
207.06702	3.0
213.58247	0.5
217.12282	0.5
219.13817	1.0
261.11331	0.6
263.12854	1.1
271.16980	0.9
275.12909	1.5
289.17944	2.7
290.18692	0.8
291.12576	1.2
295.90414	0.5
313.14438	0.8
315.16193	2.4
327.16141	0.6
329.17673	2.3
345.16766	1.0
345.20572	0.6
371.18753	2.6
389.19681	100.0
390.19998	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	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60197	0.5
57.03453	3.5
59.01102	1.1
59.01381	17.9
59.28534	0.5
64.51141	0.6
65.00324	1.6
69.41801	1.7
69.42228	3.1
74.00216	0.7
81.03465	20.0
82.03806	0.7
82.58341	0.6
83.01395	4.3
83.05022	2.0
95.01393	1.1
95.05017	2.0
98.20644	1.2
107.01402	1.6
109.06575	1.2
123.04538	8.2
123.08160	0.7
125.02449	15.5
126.02756	1.0
135.04501	1.2
137.06061	0.6
149.13380	1.4
151.00391	3.3
151.01396	0.6
152.01108	1.2
166.02718	2.1
167.03522	5.2
179.03513	2.6
181.04491	0.5
190.02724	1.6
201.12694	0.6
203.14415	1.7
210.27303	0.6
233.04495	3.8
243.17616	1.3
285.18597	15.9
286.18918	2.0
311.16428	1.1
329.17584	52.5
330.17908	9.3
345.20599	2.7
347.18704	2.6
389.19681	100.0
390.20035	17.9
390.24982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03445	1.1
59.01385	82.8
60.01714	1.6
61.98812	1.1
66.59544	0.8
66.76333	0.8
70.36008	0.9
70.36359	2.7
71.01389	2.9
72.71793	0.9
75.00890	1.0
79.95744	2.0
87.31427	1.2
89.02441	1.9
95.02524	0.8
96.96011	5.8
101.02455	4.3
108.02172	0.9
113.02422	2.0
116.07168	1.7
125.02431	1.9
135.04509	1.0
165.12843	5.2
167.10789	100.0
168.11124	7.3
169.01523	1.2
183.13905	11.0
184.14278	1.0
198.79907	0.9
213.09155	1.3
227.12885	13.7
251.12848	2.7
329.15958	3.3
389.07983	1.1
389.12125	2.0
389.16296	3.6
389.25366	1.8
390.16141	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	389.1972
Annotation	Pregomisin
Peak:m/z	Relative Intensity
51.62636	0.5
53.25056	0.4
56.01898	0.4
57.03442	2.4
57.31138	0.4
59.01376	0.8
65.00317	0.8
67.59029	0.4
69.03448	0.7
69.27700	0.4
79.01907	0.5
81.03462	7.7
81.89359	0.4
83.01400	1.1
83.05038	3.5
91.73357	0.5
93.06478	0.4
95.01387	6.2
95.76487	0.4
96.96017	2.9
97.06592	0.9
107.01369	0.8
107.05017	1.0
109.06585	0.7
111.00885	0.6
117.66830	0.5
122.03761	3.3
123.00883	3.5
123.04533	0.9
124.01674	6.0
125.02458	14.6
125.06071	2.7
126.02782	0.6
135.04550	0.9
135.08087	0.6
136.20256	0.4
137.09714	0.5
138.03220	0.9
139.00359	0.7
139.04015	1.8
149.06061	0.5
151.00398	4.5
151.03857	0.6
152.01152	8.5
153.05582	6.5
163.07686	1.0
165.01868	0.7
166.02728	4.8
177.12909	2.3
179.03500	11.2
179.10837	1.2
180.04207	2.0
191.14386	0.8
193.05083	2.1
202.25996	0.4
207.06644	3.4
208.07373	1.8
212.03256	0.8
219.13921	8.8
220.14282	1.0
221.08246	0.5
233.08138	0.6
240.06186	0.5
245.11850	0.5
257.08398	0.5
262.12048	1.7
263.12909	4.8
264.13071	0.5
284.57553	0.5
327.16061	0.6
345.20764	0.7
365.65756	0.5
389.19714	100.0
390.20050	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01887	0.6
55.22240	0.4
57.03448	0.7
58.01922	0.4
59.01384	67.8
60.01724	1.2
69.44673	3.5
71.01386	10.8
72.99333	0.4
73.02949	4.6
75.00864	0.5
76.68375	0.4
81.39590	0.5
83.01389	2.3
83.72615	0.4
84.51199	0.4
85.02965	6.0
87.00880	1.1
89.02448	5.3
92.25472	0.4
95.01385	1.0
96.96010	0.6
99.00886	1.5
99.86650	0.4
101.02444	10.1
101.03083	0.7
111.00917	0.8
113.02452	4.5
118.00900	0.4
119.03505	1.7
123.00877	0.7
125.02428	0.6
149.09761	0.6
161.04568	1.4
168.03046	0.6
168.35762	0.4
179.03468	0.7
209.11958	0.6
227.12979	0.6
299.09396	0.4
306.04840	0.4
313.08133	0.7
329.16095	1.9
370.83575	0.4
371.17017	0.8
374.13724	0.4
389.18167	100.0
390.18546	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1089
Annotation	Sagitol
Peak:m/z	Relative Intensity
52.53417	0.4
55.01868	0.6
57.03431	0.5
59.01380	4.7
67.01882	1.0
69.03442	0.8
71.01390	6.1
71.58993	0.3
72.99319	0.8
73.02955	2.2
74.99108	3.5
75.00886	0.6
78.97433	0.4
79.01874	0.8
83.01393	1.5
85.02941	4.1
86.60355	0.4
87.00880	0.7
87.75825	0.4
89.02435	1.4
95.01409	1.8
96.96020	0.6
96.96977	0.4
97.02912	0.5
99.00873	1.1
101.02449	4.8
103.53511	0.4
107.01396	3.9
111.00891	2.4
113.02438	2.2
123.00890	15.7
124.01762	0.8
125.02458	15.2
126.02786	0.6
127.00391	1.1
136.99109	3.1
139.00386	6.3
139.04044	1.3
140.01193	3.8
141.01930	2.2
151.00375	12.5
151.07587	0.5
152.00722	0.7
153.01926	0.6
154.99826	0.4
168.00627	3.7
169.01436	23.3
170.01762	1.2
183.03029	0.7
193.04993	0.4
194.93256	0.5
209.08246	0.5
211.02345	0.6
215.35402	0.4
225.03932	0.5
253.03490	0.6
271.04700	0.4
309.88385	0.4
313.05688	1.8
389.10910	100.0
390.11200	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
53.77369	0.5
55.01890	1.0
57.03447	1.9
58.00595	2.6
59.01387	53.8
60.01705	0.8
62.81813	0.6
71.01392	31.8
71.05026	0.7
71.97056	0.6
72.99315	28.4
73.02959	4.7
74.99134	1.1
75.00894	0.8
83.01389	3.3
85.02967	9.2
85.75607	0.5
85.86164	0.6
87.00874	1.5
89.02455	25.9
95.01413	2.8
96.14569	0.6
96.96046	1.5
99.00877	2.2
99.04565	0.8
101.01779	1.2
101.02451	22.4
113.02454	12.7
117.05570	0.8
119.03506	8.8
120.99664	8.1
125.02454	1.5
130.33792	0.7
131.03558	0.8
132.77859	0.6
147.11777	4.3
159.02939	0.7
161.04564	2.1
165.12798	1.2
179.05614	0.9
191.10773	11.1
192.11127	1.0
209.11871	7.2
229.10942	0.8
285.00455	0.8
286.00571	0.8
359.11578	1.3
371.17154	1.5
389.18210	100.0
390.18539	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	389.109
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01861	0.8
57.03422	0.5
59.01384	3.1
67.01894	0.6
69.03436	0.3
69.33496	1.0
69.33904	2.1
71.01387	6.1
72.99286	0.4
73.02934	1.9
79.01899	1.2
81.33814	0.4
83.01392	1.8
85.02937	3.1
87.00889	0.8
89.02469	0.8
95.01382	1.6
97.02951	0.7
98.19910	0.7
99.00865	0.6
101.02443	5.4
107.01390	4.2
110.00101	0.4
111.00874	1.9
113.02428	2.1
123.00888	15.3
124.01696	1.8
125.02447	15.0
126.02802	0.5
127.00391	0.7
135.19353	0.4
136.98779	1.6
139.00374	4.9
140.01181	3.9
141.01952	2.0
151.00368	13.0
152.00667	0.6
161.04541	0.6
163.04034	0.3
168.00629	4.3
169.01424	21.1
170.01714	0.5
179.03424	0.3
181.05013	0.5
271.04630	0.6
313.05664	1.8
389.10883	100.0
390.11191	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29277	0.4
55.01873	0.8
57.03453	0.4
59.01389	4.6
67.01904	0.8
69.68166	2.2
70.27665	0.5
71.01380	5.9
73.02951	1.7
74.99099	2.2
79.01899	1.1
83.01375	1.4
85.02952	3.4
87.00861	0.8
89.02445	0.9
95.01376	2.4
97.02959	0.8
99.00880	0.7
101.02460	5.1
107.01383	3.8
111.00889	2.7
113.02467	2.5
123.00891	17.2
124.01704	1.5
125.02449	16.6
126.02797	0.7
127.00382	1.0
135.04492	0.5
136.99007	2.1
137.02472	0.5
139.00377	5.9
140.01180	3.6
141.01935	2.1
151.00371	14.0
152.00769	0.5
154.99788	0.6
159.03018	0.5
161.04500	0.9
168.00632	4.3
169.01434	23.6
170.01718	1.3
190.01389	0.5
193.05154	0.5
211.02475	0.8
253.03383	0.5
271.04678	0.5
313.05646	1.9
335.63214	0.5
389.10898	100.0
390.11200	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56446	0.6
55.01873	0.9
59.01378	4.8
61.98833	60.8
67.01890	0.6
69.03474	0.7
69.97670	2.8
71.01382	5.8
71.62096	0.6
72.99311	1.9
73.02943	2.2
74.99100	15.1
75.00880	1.7
79.01906	1.4
81.03458	0.5
83.01376	1.5
85.02963	4.3
87.00861	1.2
89.02443	1.2
95.01378	1.9
96.96953	1.5
99.00916	1.4
101.02445	6.3
103.03989	0.9
107.01418	4.2
110.00104	1.1
111.00883	2.7
113.02454	2.4
117.97247	0.6
118.93530	0.7
120.99699	0.9
123.00890	15.9
123.17802	0.6
124.01676	2.6
125.02448	15.0
125.03303	1.1
126.01997	1.0
127.00375	0.7
127.77991	0.6
135.89819	0.5
136.99152	12.9
137.02444	0.7
139.00385	6.0
140.01176	3.9
141.01927	2.2
151.00375	10.7
153.01909	0.6
167.03476	1.2
168.00641	4.9
168.99985	1.0
169.01436	18.9
179.03532	2.3
181.05008	0.6
192.07928	1.0
193.05008	1.5
194.05809	1.3
198.18996	0.5
208.13429	0.7
209.08183	4.4
237.06183	1.8
251.09163	0.6
313.05618	2.1
382.25058	0.7
388.09738	3.2
389.10910	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	387.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
59.01363	1.3
65.00317	1.2
69.54878	2.3
69.55264	0.7
81.03463	19.6
82.03805	0.4
83.01398	2.0
83.05032	0.3
91.26583	0.4
107.01393	1.2
122.03738	3.9
123.04559	0.4
124.01649	0.6
125.02457	8.9
126.02786	0.4
135.04509	0.7
151.00345	2.5
152.01091	0.7
162.03320	0.4
166.02626	0.4
179.03474	0.4
261.22241	0.9
277.25372	0.4
279.23312	0.4
301.25452	1.5
303.23306	4.7
304.23486	0.4
343.26416	46.0
344.26730	6.6
366.65387	0.3
369.24460	1.2
387.25406	100.0
388.25757	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.07632	0.2
56.45102	0.2
57.03447	0.6
65.03989	0.2
69.98786	1.1
71.05045	0.3
73.02978	0.6
79.01904	3.8
80.58349	0.2
81.03465	0.4
83.05045	0.2
85.06595	5.8
89.36939	0.2
91.05519	1.1
93.03490	0.4
95.05035	0.3
97.02962	2.4
98.19946	0.3
98.28868	0.2
107.05019	1.1
109.06599	9.2
109.07348	0.5
110.06998	0.5
111.04523	7.3
112.04835	0.3
116.11669	0.2
123.04516	0.3
135.03622	0.3
135.04549	3.8
136.05150	0.4
138.03175	0.6
139.79941	0.2
149.06088	0.7
150.06892	0.4
151.04036	1.5
152.04832	0.4
153.05585	30.1
154.05962	1.4
162.06892	0.6
163.07622	0.2
175.03964	0.2
177.05637	0.4
179.03523	2.8
180.04291	1.1
190.06383	0.3
191.14694	0.2
193.05051	0.3
194.05817	0.4
207.06587	0.5
233.19081	0.8
234.19501	0.2
236.10431	0.2
251.46497	0.2
255.50221	0.2
275.20300	1.0
287.23843	1.0
301.25647	0.3
341.24860	1.1
343.26434	15.2
344.26785	2.3
369.24371	1.5
385.23877	0.3
387.25421	100.0
388.25781	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38065	0.2
55.01889	0.7
57.03432	0.3
60.63523	0.2
65.00340	0.3
71.05029	14.9
72.05380	0.5
73.80800	0.2
77.03981	0.4
79.01899	0.6
83.01395	1.9
83.05035	0.4
85.02964	1.2
93.03477	0.3
95.05038	2.0
97.02963	6.6
98.20706	0.5
102.05717	0.3
109.02968	0.5
111.04545	0.3
112.76881	0.2
113.02425	0.4
115.46076	0.3
118.58887	0.2
121.02966	0.6
125.02421	0.6
128.66838	0.3
130.08821	0.2
135.04559	0.7
137.02438	0.5
137.06122	0.7
139.04027	100.0
140.04364	4.1
163.03992	1.0
165.01942	0.6
181.05058	1.5
192.74554	0.2
195.13321	0.3
205.16061	0.5
247.17044	3.2
248.17505	0.4
343.22739	0.7
343.26462	0.5
345.20941	0.3
369.20694	0.5
387.21686	8.8
387.25558	0.9
388.22079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2178
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
57.03434	0.7
59.01373	0.6
59.24665	0.5
63.02391	0.9
65.00327	1.7
69.71391	2.1
69.71799	1.2
71.05035	3.7
77.61200	0.5
78.16026	0.4
81.03473	1.9
83.01372	0.7
85.02940	3.9
89.00319	0.5
95.01391	2.4
95.05032	1.1
97.02956	1.8
98.20580	1.1
99.04554	0.6
107.01424	0.6
108.02188	0.6
121.02959	1.2
123.00884	2.0
123.04547	3.6
124.01672	33.2
125.02420	3.1
135.04544	1.0
137.02444	2.2
138.03249	1.7
139.04024	45.8
140.04349	2.7
149.06110	0.7
151.00375	4.5
151.03998	0.8
152.01170	18.7
153.01558	0.6
156.65642	0.6
165.01950	6.4
165.05565	0.6
166.02740	6.1
167.03281	0.8
179.03502	7.8
180.04152	0.7
181.05060	0.7
193.04991	3.8
198.01678	0.6
207.06644	2.1
247.22110	0.6
250.73381	0.6
257.15460	3.2
271.17099	1.1
273.11261	1.0
287.12888	1.6
301.11020	0.8
301.14459	14.7
302.14835	2.0
315.16071	6.0
325.18195	1.3
327.16098	2.8
387.21771	100.0
388.22104	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	387.2181
Annotation	15-keto Latanoprost (free acid)
Peak:m/z	Relative Intensity
53.86424	0.4
57.03434	1.9
63.92680	0.5
70.93604	0.6
70.93919	0.5
71.05029	23.6
75.53130	0.4
77.03971	0.6
79.01903	2.2
80.91705	0.4
81.03475	0.6
83.05006	1.0
93.03474	0.5
95.05038	14.2
96.05421	0.5
97.02953	3.5
97.06610	1.2
109.06586	0.9
111.08161	0.5
121.02972	1.5
122.03703	0.6
123.08167	0.7
123.27013	0.5
131.40991	0.4
135.04549	0.8
137.06093	0.5
137.31557	0.4
138.03224	0.5
139.04028	25.2
140.04366	0.9
144.75310	0.5
149.06142	0.5
163.11307	0.7
165.01912	2.7
166.02776	2.0
170.05659	0.4
191.14417	1.0
193.05101	1.1
194.05884	0.5
205.52797	0.5
217.12219	0.5
217.15927	0.6
245.18907	0.5
251.57173	0.4
259.16989	1.8
275.12964	0.5
301.21738	0.7
343.22824	4.8
344.23145	0.8
369.20590	0.6
387.21796	100.0
388.22153	18.9
395.65778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03442	8.3
58.08975	2.4
59.01381	3.0
62.97509	2.3
69.58989	17.0
71.05023	9.6
73.02926	3.1
74.80003	2.5
79.01913	13.7
81.03470	6.4
83.01392	2.4
83.05038	2.4
85.02956	91.8
87.00885	6.5
92.12655	2.7
95.01406	2.8
95.05030	17.3
97.02936	4.1
98.20591	5.6
99.04516	16.7
99.83784	2.6
107.08672	3.6
108.02174	3.0
111.00880	3.4
113.06119	3.2
123.00887	4.0
123.04538	64.4
124.01692	34.2
125.02470	29.5
135.04576	4.7
137.02463	7.3
138.03227	15.7
139.00375	3.0
139.03018	3.9
139.04031	51.2
140.04395	2.8
141.05544	10.4
147.11812	7.1
149.06168	3.5
151.00385	10.2
151.03995	4.8
152.01173	13.4
152.04831	5.7
163.03989	3.2
164.76245	2.8
165.01897	5.7
165.05553	6.0
166.02757	13.8
167.03499	11.0
170.02187	3.9
173.13393	3.0
177.05568	3.0
178.06245	4.1
179.03561	13.8
180.04141	3.2
181.04991	3.2
184.03796	3.0
201.12888	7.8
267.13885	5.5
269.00452	2.7
273.21829	2.9
283.17065	4.0
287.16541	9.9
299.16553	2.7
325.18134	35.6
326.18381	6.1
327.16046	100.0
328.16312	10.5
354.63593	2.5
369.16919	8.5
370.17636	7.0
387.21881	31.2
388.22205	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	387.2179
Annotation	Tanghinigenin
Peak:m/z	Relative Intensity
57.03449	6.1
59.01398	3.3
61.59774	0.6
64.79213	0.7
66.93802	0.6
67.01922	0.8
68.99828	1.5
69.03455	4.4
69.54618	3.7
71.01358	0.9
81.38996	0.6
83.01396	2.8
83.05025	2.8
85.02955	16.9
85.06580	0.8
95.01399	5.9
95.05034	1.6
96.02161	0.9
97.02968	4.0
108.02151	0.7
109.02994	3.4
109.06620	0.7
111.00867	1.9
111.04515	2.6
111.08121	0.9
113.02457	25.5
113.03246	1.3
118.64381	0.6
121.02845	0.6
122.03741	1.1
123.00916	2.0
137.02440	6.3
137.06052	0.9
138.03270	3.7
141.01921	1.7
141.05547	1.1
149.02530	0.9
150.03221	1.4
151.04036	1.1
153.01959	6.6
155.03491	2.6
164.04851	1.0
165.05623	0.9
167.03549	0.7
181.05138	0.7
231.17438	1.1
238.53166	0.7
273.18604	3.9
301.21811	1.6
303.19614	1.2
312.26181	0.7
325.21759	0.7
327.19617	12.5
328.20135	4.4
341.21100	1.6
343.22772	4.7
345.17017	4.8
345.20792	8.8
346.21109	1.7
369.20779	2.1
387.21820	100.0
388.22162	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	387.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	16.7
59.01385	7.1
61.38831	1.2
61.59739	1.2
65.00307	2.1
68.99815	2.1
69.00379	1.1
69.03454	6.9
69.55439	3.1
69.55852	5.1
71.01390	2.3
71.05027	2.6
72.10432	1.4
79.01904	1.5
79.05513	1.4
81.03465	19.5
83.01387	6.8
83.05029	3.9
85.02972	7.2
85.06597	2.5
93.03445	1.5
94.21356	1.1
95.01382	9.0
95.05017	4.8
97.02953	9.7
97.06595	2.3
98.19904	2.7
99.04527	2.1
107.05064	1.9
107.08703	1.4
108.02183	1.9
109.02938	4.5
109.06522	3.1
111.00871	2.5
111.04530	1.6
111.08164	1.5
113.02465	6.7
113.06092	2.7
121.02955	1.5
121.06547	1.7
122.03725	3.7
123.00893	4.7
123.04556	7.5
123.08163	2.6
124.01649	2.9
125.02453	80.4
125.06058	3.3
125.09714	1.6
126.02788	3.7
127.04001	3.6
135.04526	3.3
137.02426	2.0
137.06088	1.6
138.03241	2.3
139.00291	2.0
139.04065	6.4
141.01964	8.3
141.05571	5.4
147.08244	1.3
149.02444	1.4
149.06075	2.6
151.00351	3.8
151.03990	5.8
152.01132	1.8
153.01920	4.3
153.05594	6.3
163.07693	1.4
165.05502	3.2
166.02678	4.0
167.03473	4.1
177.05559	2.1
178.06271	2.1
179.03499	3.9
179.07098	1.9
181.05038	2.6
190.02766	2.6
191.03517	1.9
192.07918	1.7
193.05193	1.7
257.19302	2.3
259.17014	3.7
263.35654	1.3
283.16995	1.8
299.20163	16.2
300.20584	2.1
301.17899	1.7
325.18057	17.9
326.18387	2.0
327.15964	2.3
327.19482	1.9
328.20279	2.2
331.15292	2.2
341.17642	1.9
343.19144	100.0
343.22662	3.8
344.19470	14.7
345.17026	16.4
345.20694	3.5
346.17487	3.2
355.15314	1.5
369.17099	6.9
370.17398	1.7
373.58917	1.4
387.17932	72.5
387.21854	74.5
388.17780	11.6
388.22629	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	387.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.0
59.01379	4.2
71.05044	15.1
79.01904	9.3
79.99514	2.3
81.03445	3.3
83.01382	5.2
83.05025	3.0
85.02963	65.5
85.03457	5.1
94.24218	2.6
95.01378	2.6
95.05028	20.4
97.02968	7.7
97.06579	2.9
99.04523	8.3
100.28019	2.5
109.03012	3.2
109.06587	3.1
111.04512	4.0
113.06108	3.2
113.79321	2.3
121.02995	3.0
123.04544	36.1
124.01672	6.5
125.02447	15.3
137.06107	18.6
138.03278	15.4
139.04019	33.5
141.05556	4.0
147.11775	4.1
151.00362	5.7
165.01956	3.6
165.05650	6.0
166.02730	15.2
167.03481	5.8
170.02151	3.9
178.06400	5.4
179.03545	4.3
179.07170	3.0
180.04271	6.6
181.05077	39.3
182.05348	3.3
184.03831	2.5
193.05173	2.9
243.13918	2.6
283.16995	4.0
287.16516	4.5
325.18030	20.5
327.15973	60.0
327.19553	3.3
328.16321	6.6
329.17664	3.8
343.22906	11.7
369.16919	6.0
370.17712	5.7
387.21817	100.0
388.22171	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1814
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
56.40661	0.5
57.03455	7.4
59.01378	1.5
65.00333	1.4
69.03464	0.9
69.45900	2.4
69.46310	0.8
78.91895	0.9
79.05542	0.7
81.03461	6.3
83.01394	2.7
83.01813	0.4
83.05033	0.8
85.02962	1.4
87.21951	0.4
95.01394	14.6
95.01997	1.0
95.05006	0.5
96.02210	0.6
97.06597	0.9
107.01375	0.9
107.05042	0.6
109.06615	0.8
111.00913	1.0
113.02454	0.5
121.06616	1.4
123.00893	6.0
123.04579	1.0
124.01687	12.9
124.02602	0.6
124.05312	12.2
125.02458	43.9
126.02799	1.6
135.04568	0.9
137.09737	1.5
138.03232	0.6
139.00366	1.1
149.06073	0.8
151.00383	8.3
151.04005	0.8
152.01167	18.5
153.01495	0.9
153.05595	0.9
163.07660	1.5
163.89111	0.4
166.02715	9.5
167.03069	0.6
177.09088	0.6
177.12878	1.2
179.03511	22.5
179.10818	0.7
180.04245	3.2
183.16785	0.4
193.05075	3.5
194.05438	0.5
198.01605	0.7
207.06628	4.7
208.07385	2.7
212.03319	1.4
213.79501	0.4
219.13931	1.7
221.08263	1.7
240.06506	0.6
247.09651	0.8
259.17065	0.5
261.11249	0.7
261.15134	0.7
262.12100	4.3
263.12778	1.8
277.10818	0.7
287.16315	0.6
294.11041	1.2
369.17139	1.2
381.12079	0.5
387.18140	100.0
388.18521	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.4
59.01377	6.0
64.39907	0.7
65.00345	0.8
67.01894	1.6
68.99816	1.3
69.03448	4.3
70.75103	1.2
70.75479	1.3
71.01380	0.8
71.05054	1.8
79.05521	0.7
80.78253	0.6
81.03462	5.3
82.57530	0.7
83.01401	4.5
83.05039	3.3
85.02964	14.7
85.06604	1.9
91.11974	0.7
93.03473	1.2
95.01389	5.0
95.05018	2.9
96.02158	0.8
97.02971	4.6
97.06598	2.4
99.04542	1.3
107.05069	1.0
108.02193	2.5
109.02307	0.7
109.02955	4.6
109.06592	1.2
111.00868	2.1
111.04530	2.7
111.08154	1.1
113.02449	15.6
113.06059	4.0
121.06581	1.0
121.10234	0.7
122.03767	1.3
122.67257	0.7
123.00881	2.0
123.04522	2.6
123.08163	1.0
124.01740	0.9
125.02448	20.4
126.02805	0.7
127.04012	2.0
135.04570	1.2
137.02466	5.2
137.06081	1.7
138.03247	3.2
139.03998	1.8
139.07619	1.1
141.01935	4.0
141.05586	8.4
149.05884	0.7
150.03142	1.3
151.00346	1.2
151.04002	2.6
151.07590	0.8
153.01962	5.3
153.05576	5.7
155.03534	1.3
161.06129	0.8
163.07622	0.8
165.05582	1.7
166.02650	0.7
166.06227	1.2
167.03499	2.4
177.05554	0.7
178.06310	3.5
179.03511	1.6
179.07137	2.3
181.05084	1.7
183.06493	0.7
187.11359	0.9
192.07890	1.9
194.05850	1.1
195.06567	1.5
202.99788	0.8
203.14330	1.0
205.05083	1.1
207.06635	1.0
217.15901	0.9
221.08122	1.0
231.17731	0.9
259.16949	1.0
273.18616	3.2
299.20227	5.7
301.21890	1.7
317.17587	1.1
325.17978	2.3
327.16232	1.4
327.19702	8.3
328.20413	3.6
329.17453	1.4
331.15692	0.9
341.21222	2.7
343.19165	29.8
343.22806	4.4
344.19510	4.6
345.17004	9.6
345.20752	8.5
346.17505	1.3
346.21280	1.3
369.16766	1.5
369.20914	1.6
371.98984	0.8
387.17932	19.5
387.21799	100.0
388.18274	3.3
388.22397	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	387.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04401	1.0
56.56860	0.9
57.03452	15.3
59.01377	3.6
61.01070	1.0
63.43892	0.9
65.00317	3.5
69.03463	2.9
70.92684	2.3
71.05024	4.7
73.60564	1.1
79.01894	3.5
81.03467	17.0
83.01371	5.6
83.05035	3.9
85.02956	9.1
85.06596	4.2
93.03457	1.8
95.01405	11.9
95.05027	14.6
97.02953	11.8
97.06594	1.9
107.05047	3.3
109.02953	1.6
109.06596	3.6
111.00874	1.3
111.04521	3.4
119.04994	1.4
121.02959	2.7
121.06618	2.8
121.10309	1.8
122.03760	1.8
123.00900	4.8
123.04517	3.9
123.08157	3.4
124.01680	11.2
124.05279	1.5
125.02452	67.7
126.02773	2.6
135.04549	1.8
135.08136	1.9
137.02463	2.8
137.06093	2.4
137.09732	2.7
138.03232	3.1
139.00392	1.4
139.04019	27.5
139.07591	1.4
140.04333	1.5
147.08160	1.8
149.06097	2.5
149.09746	1.2
151.00392	6.8
151.04059	1.3
151.07687	1.8
152.01167	8.2
153.04427	2.0
153.05576	24.3
161.09735	1.6
163.07719	1.7
163.11302	3.0
165.01936	6.1
165.09122	1.1
166.02710	15.2
167.03459	1.2
167.07173	2.9
179.03490	17.5
180.04271	8.8
181.05038	1.3
193.05035	10.2
194.05702	1.2
207.06607	7.3
208.07367	2.9
217.12569	1.2
219.13947	2.2
221.08179	1.3
222.09007	1.3
235.09676	1.2
235.13530	1.2
245.15421	1.5
247.09784	1.9
249.11340	1.8
262.12051	5.8
275.12943	1.3
289.14474	3.9
294.10974	1.9
301.17966	1.3
343.19092	1.8
343.22733	4.6
344.19336	1.5
355.03262	1.1
369.20636	3.1
377.12558	1.1
387.17932	54.7
387.21841	100.0
388.17523	10.2
388.22742	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.73889	0.5
55.01867	0.8
55.19287	0.6
58.00599	1.0
59.01384	80.0
60.01711	1.2
61.58489	0.5
62.74403	0.5
70.04291	1.8
71.01389	17.4
71.67670	0.6
72.04980	0.5
72.99313	1.1
73.02972	0.7
74.76039	0.5
78.90659	0.7
83.01412	1.3
85.02981	4.1
87.00912	0.6
89.02445	15.5
92.50381	0.5
95.01398	1.2
98.19918	0.6
101.02449	10.1
102.43999	0.7
107.05020	0.6
113.02435	5.8
119.03503	5.5
125.02467	0.9
149.16466	0.7
163.11324	5.4
187.53940	0.6
207.10260	14.0
208.10684	0.8
266.83136	0.6
353.54031	0.6
369.15485	0.7
387.16617	100.0
388.16934	14.1
409.49762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1814
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
55.01886	1.0
57.03454	5.3
59.01381	1.4
61.98820	0.7
63.84712	0.5
64.95706	0.6
79.01897	1.9
81.03459	1.9
83.01405	0.7
85.06596	10.0
95.05021	0.9
97.02973	2.7
97.06587	1.3
98.19763	1.0
102.63798	0.5
107.05029	2.2
109.02969	0.7
109.06591	8.0
110.96024	0.6
111.04530	7.4
122.03774	0.8
123.04548	1.0
124.01675	0.8
124.05310	22.5
125.02460	3.0
125.05615	0.6
135.04547	2.2
137.02504	0.8
137.06004	0.6
139.07637	1.0
143.83781	0.5
147.08150	0.7
149.06099	0.7
151.04013	1.9
151.07666	0.9
152.04811	2.7
153.05583	97.1
154.05939	5.4
163.07657	1.5
163.11333	1.4
165.01942	4.0
165.05473	0.9
167.08153	0.7
179.03499	8.5
179.04935	1.0
179.07127	1.1
180.04276	13.4
181.04660	1.4
184.03712	0.9
193.05086	7.0
194.05800	4.2
195.06604	2.2
207.06641	22.7
208.07385	7.3
212.03264	2.3
217.12399	0.6
219.13913	1.5
221.08179	6.1
229.08685	1.9
240.06499	1.7
247.09792	5.5
262.12128	8.0
263.12790	2.4
294.11133	2.4
329.19366	0.6
369.16833	3.0
387.18127	100.0
388.18524	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	387.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62239	0.4
54.70807	0.4
55.01911	0.4
57.03449	3.7
57.10679	0.4
59.01389	1.2
61.23534	0.4
65.00336	0.6
69.03463	1.1
70.35071	1.1
70.35454	0.9
71.05026	3.2
73.19739	0.5
79.01903	1.4
81.03464	3.4
83.01379	2.0
83.05040	1.4
85.02955	2.1
85.06605	1.2
93.03496	0.4
95.01405	0.8
95.05038	5.9
97.02952	3.6
106.81293	0.4
109.02980	1.5
109.06631	1.4
111.00888	0.5
111.04509	0.8
113.02503	0.5
113.06100	1.2
121.03001	1.8
121.06602	0.7
122.03743	0.6
123.00847	0.4
123.04543	1.4
125.02458	15.0
126.02780	0.7
133.10312	0.4
135.04553	0.8
135.08171	0.9
137.02455	1.2
137.06117	1.7
138.03220	2.7
139.00365	0.7
139.04016	19.0
139.07628	0.5
140.04391	0.9
147.08104	0.5
149.06104	0.6
151.00392	1.5
151.04002	0.7
152.01120	1.0
153.01967	0.7
153.05595	5.7
163.07680	0.6
163.11320	0.8
165.01910	4.9
165.03044	0.5
165.09203	0.5
166.02719	10.0
166.04030	0.7
167.03447	1.6
173.09821	0.6
177.09207	0.5
179.03453	2.0
179.07220	0.5
180.04283	9.1
180.05756	0.8
181.04817	0.5
189.09210	0.5
193.05046	6.2
193.06755	0.5
194.05794	1.3
195.06572	0.5
198.01761	1.2
205.12328	0.8
207.06686	1.8
212.03276	1.0
221.08223	1.4
222.08990	0.7
233.08142	0.6
233.11743	0.5
233.15463	0.8
235.09846	1.4
236.21953	0.4
241.45877	0.5
245.15533	0.8
249.11299	2.7
250.11937	0.6
261.11240	0.6
263.09225	2.9
273.11520	0.4
275.12958	0.9
276.13635	0.8
277.10834	5.6
277.14029	0.8
278.11258	0.7
325.18011	0.4
343.19180	0.6
343.22900	1.1
369.16840	0.7
369.20923	0.5
379.76505	0.4
387.18057	8.6
387.21924	100.0
388.18430	1.4
388.22302	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94684	0.4
55.01892	0.5
57.03448	0.6
58.00589	1.1
59.01381	98.1
60.01715	1.3
62.45604	0.4
68.61359	0.4
70.14438	0.4
71.01388	19.6
71.60696	0.6
72.01717	0.6
72.99327	2.1
73.02947	0.9
83.01402	1.2
85.02969	4.3
87.00898	0.8
89.02446	20.3
90.02784	0.7
95.01388	1.7
95.05042	0.7
99.00900	0.8
101.02447	12.8
113.02444	7.8
119.03501	8.0
123.00862	0.4
125.02436	0.7
131.03537	0.6
143.03490	1.0
147.08183	0.9
149.04562	0.7
153.01932	1.1
161.04561	0.9
163.11292	17.2
164.11623	1.5
165.09251	0.4
174.56303	0.5
179.05681	0.8
207.10262	4.4
208.10577	0.6
209.11804	0.6
225.11330	1.3
387.16608	100.0
388.16986	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	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01386	2.9
62.40804	0.7
69.03445	1.1
71.01390	1.2
71.61214	0.7
73.02958	0.8
81.03477	2.9
83.00950	0.7
83.01366	3.5
84.93053	0.6
85.02986	1.0
93.03474	2.4
95.05037	4.6
96.96013	2.1
97.02959	9.4
99.04535	0.9
101.02476	1.6
107.05070	0.8
109.02959	34.2
110.03268	1.2
121.02966	4.9
122.03773	1.6
123.04531	21.6
124.01627	0.8
124.04855	1.1
125.02452	19.1
135.04561	3.5
137.02455	11.5
137.06203	0.8
138.03217	1.4
139.04007	5.3
145.02946	1.4
146.03752	1.6
147.08116	0.8
147.83823	0.8
149.02457	8.2
150.03236	1.9
151.04013	11.1
159.04504	3.9
160.05342	2.3
161.02419	1.9
161.06093	6.8
162.03264	2.3
163.04030	2.1
163.11330	0.7
164.01123	4.1
165.01953	4.6
165.05582	0.7
167.03494	2.1
173.06099	1.0
174.03175	0.6
175.04054	2.2
175.07664	2.9
176.04494	0.8
177.05640	1.6
179.03508	7.4
179.07188	1.9
181.12392	1.3
185.06038	1.1
187.04002	7.0
188.04794	5.3
189.05531	0.8
191.07201	1.6
201.05592	1.0
202.04680	0.7
202.06261	3.7
203.03543	1.1
203.07150	17.5
204.07536	1.8
205.05075	14.4
206.05527	1.3
212.04794	0.7
217.08826	1.4
221.08156	4.2
225.11354	5.2
227.07233	4.1
230.05844	1.5
231.02969	1.1
233.08018	0.7
245.08203	23.7
246.08504	1.7
247.06111	2.9
264.09763	0.8
267.12283	0.7
271.06168	1.7
289.07199	100.0
290.07520	11.9
299.12943	2.9
327.01398	1.2
343.08090	1.0
343.11877	14.6
343.15601	0.9
344.12247	1.5
355.00909	2.2
369.13339	2.0
387.03741	1.7
387.14502	50.0
388.14883	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03438	0.6
57.41306	0.2
59.01389	4.7
65.00323	0.3
67.01888	0.9
68.99845	0.3
69.03454	0.4
71.01389	5.7
72.99309	0.7
73.02952	2.1
79.01890	1.0
79.90849	0.3
83.01401	2.5
85.02954	3.8
86.00096	0.4
87.00918	0.5
88.64803	0.3
89.02465	0.6
91.02425	0.3
95.01385	2.0
96.99315	0.3
97.02958	0.7
99.00871	1.2
101.02452	5.4
107.01389	3.0
110.00116	0.5
111.00907	2.8
112.98814	0.3
113.02464	2.2
119.03524	0.3
123.00893	15.7
124.01707	1.9
125.02461	13.3
126.02840	0.3
127.00348	1.0
136.98825	1.4
137.02423	0.3
139.00385	6.0
140.01181	4.5
141.01959	2.4
151.00377	12.7
151.04002	0.6
152.00735	0.6
153.01903	0.8
161.04529	0.6
163.03996	0.4
168.00641	4.6
169.01437	14.7
170.01801	0.9
181.05080	0.6
203.85707	0.3
264.94269	0.3
313.05753	1.0
349.58316	0.3
387.12964	100.0
388.13333	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	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03431	0.6
59.01385	3.8
61.71799	0.4
64.51907	0.4
67.01890	0.7
68.99773	0.6
69.03436	0.5
70.38142	1.6
71.01389	5.0
72.99325	0.8
73.02935	1.9
79.01889	1.2
83.01396	1.4
85.02954	3.9
86.00074	0.5
87.00861	0.9
89.02469	0.8
90.93428	0.5
95.01395	2.2
96.99316	0.6
97.02959	1.0
98.20625	0.6
99.00875	0.9
101.02434	5.2
107.01372	3.9
110.00064	0.5
111.00871	4.0
113.02441	1.8
123.00896	16.2
124.01664	1.7
125.02454	13.9
126.02775	0.5
127.00381	1.0
136.98837	2.8
139.00386	6.3
140.01167	5.2
141.01968	2.9
145.61452	0.5
151.00377	12.4
152.00705	0.7
153.01926	1.4
154.99779	0.7
155.92456	0.5
168.00627	5.0
169.01431	18.6
170.01753	0.7
206.21254	0.4
211.02466	0.5
217.98000	0.5
225.15039	0.7
229.82512	0.5
387.12970	100.0
388.13278	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16532	0.8
51.61292	0.8
57.03460	2.3
59.01398	1.9
66.21019	0.7
69.03448	0.9
69.40089	2.1
69.40512	4.6
71.01407	1.3
73.02985	1.0
81.03478	1.5
83.01405	4.4
83.81722	0.6
85.02962	1.4
87.90190	0.7
93.03505	0.7
95.01418	1.0
95.05034	4.1
96.96036	2.7
97.02945	8.2
108.02199	1.3
109.02962	27.5
112.33289	0.7
115.00362	0.8
121.02996	3.0
123.04538	17.6
124.04849	0.9
125.02456	15.4
135.04549	3.1
137.02454	9.6
137.09732	0.9
138.03143	1.0
139.04022	4.4
140.04379	0.8
143.52333	0.7
145.02980	1.6
146.03757	1.6
147.04550	1.1
149.02464	6.0
150.03244	1.2
151.04019	11.0
159.03346	0.7
159.04546	3.1
160.05354	1.6
161.02477	1.2
161.06090	6.2
162.03229	2.5
163.04021	2.1
164.01178	3.2
165.01947	5.5
167.03590	1.5
173.06099	1.8
175.02682	1.0
175.03972	3.6
175.07651	2.1
177.05630	1.0
179.03522	7.0
179.07144	1.8
185.06099	1.7
187.03995	6.2
188.04784	4.7
189.01901	0.8
191.07205	0.9
193.08664	0.8
199.07567	0.9
202.06386	2.8
203.03481	0.8
203.07152	17.3
204.07603	0.9
205.05064	13.4
206.05330	1.1
219.06700	1.6
221.08218	3.7
225.05635	6.1
227.07158	2.9
230.05899	0.9
231.03067	1.5
245.00945	1.0
245.08191	21.9
246.08548	2.3
246.98894	2.1
247.06100	2.3
289.07181	100.0
290.07477	11.7
299.12933	2.4
308.00943	0.8
315.47186	0.7
343.08148	3.8
343.11890	11.2
343.15732	1.5
344.12173	1.3
355.00989	2.8
369.13379	1.3
387.03653	1.4
387.14474	41.8
388.14850	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00717	0.2
57.03449	7.6
58.00595	0.5
59.01385	14.4
61.98837	2.7
70.19621	0.7
71.01385	3.3
73.02959	0.6
73.85976	0.2
79.36797	0.2
81.03475	1.3
83.01398	4.5
85.02952	0.8
87.00893	0.3
89.02448	3.0
93.03463	0.8
95.01379	0.4
95.05034	0.8
96.96016	0.3
97.02955	2.0
98.19985	0.2
99.00875	0.6
101.02457	2.2
103.04023	0.6
105.03506	0.3
109.02987	0.5
113.02454	1.2
114.31050	0.2
117.56774	0.2
119.03516	1.3
119.05058	0.8
120.99680	0.9
121.02937	0.4
123.00891	0.4
124.01691	0.4
125.02455	100.0
126.02791	3.8
135.04509	0.2
137.02460	1.4
137.06075	1.9
139.04021	1.5
149.02457	11.2
150.02776	0.4
161.04579	0.8
163.04010	1.4
163.11313	7.4
164.11597	0.4
167.03453	1.0
172.46910	0.2
179.03505	0.8
181.05058	1.8
191.03535	0.3
207.02982	0.3
225.04070	6.2
225.07507	0.4
226.04416	0.6
249.04063	0.5
251.49644	0.2
287.07742	1.9
338.68539	0.3
359.04288	0.3
380.02347	0.2
387.03696	0.9
387.09314	3.9
387.16696	16.6
388.09760	0.6
388.17001	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	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.1
58.03792	0.5
59.01389	1.1
60.29227	0.5
64.52681	0.4
65.00332	21.9
66.00652	0.8
68.10384	0.4
69.85965	1.0
69.86366	1.6
81.03465	3.2
83.01395	7.7
114.76748	0.4
122.03703	0.7
123.04517	2.5
125.02456	100.0
126.02785	3.6
135.04523	0.8
139.04042	0.4
139.80861	0.4
159.04303	0.5
207.46068	0.5
267.05887	0.5
299.23804	1.4
341.24820	10.7
342.25095	1.7
343.22757	1.1
385.23831	37.5
386.24170	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	387.0359
Annotation	Repenol
Peak:m/z	Relative Intensity
55.32501	0.6
59.01395	1.6
69.42500	4.4
94.60344	0.5
110.78819	0.6
114.21881	0.5
126.95514	0.5
143.05067	0.9
155.05016	0.9
160.01782	0.9
171.04543	1.8
183.04515	1.4
187.04085	0.9
199.03989	3.0
211.04034	1.9
215.03505	1.9
225.01888	0.8
225.11366	0.7
227.03537	5.4
228.00618	1.5
239.03459	1.1
242.02290	0.8
243.02962	6.3
244.03398	0.6
253.01534	1.1
254.02188	0.8
255.03098	3.6
256.00195	2.2
269.00873	0.7
271.02460	7.7
272.02731	0.8
281.00882	1.6
283.02573	2.4
283.99658	4.3
285.00394	2.1
298.01270	1.1
299.01987	12.2
299.99158	13.8
300.02289	1.1
300.99530	1.7
309.00418	1.5
310.01175	1.9
311.01999	0.7
312.71075	0.6
312.99826	1.4
324.99823	1.4
326.00729	1.3
327.01456	55.4
328.01920	6.6
339.98563	13.7
340.99045	1.5
345.34842	0.6
354.00027	1.1
355.00961	97.0
356.01294	11.4
387.03580	100.0
387.40726	0.6
388.03928	14.5
402.36444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98742	0.4
57.03454	17.4
59.01393	0.5
65.00331	23.3
66.00676	0.7
69.56421	2.9
81.03465	3.3
83.00906	0.5
83.01396	7.8
84.01759	0.3
86.25197	0.3
110.26519	0.4
112.17814	0.4
117.67952	0.4
122.03771	0.8
123.04552	2.4
125.02460	100.0
126.02774	3.8
135.04550	0.5
156.70633	0.3
220.48462	0.4
234.30623	0.4
299.23849	1.3
317.24887	0.4
341.24863	9.4
342.25290	1.3
343.22635	0.5
344.27191	0.4
369.64203	0.4
385.23907	30.3
386.19876	0.5
386.24289	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	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03461	0.4
70.01990	0.3
71.05032	0.4
73.02957	0.6
79.01900	3.5
81.03459	0.3
85.06602	4.6
91.05540	0.9
93.03434	0.4
95.05022	0.3
97.02969	1.9
97.06539	0.4
107.05019	0.7
109.06606	8.1
110.06938	0.4
111.04531	7.2
111.08194	0.4
123.04548	0.4
135.04530	3.6
139.73207	0.3
149.06123	0.4
151.04025	1.4
151.07755	0.3
152.04843	0.6
153.05595	28.2
154.05891	1.4
162.06918	0.5
177.05623	0.5
177.14285	0.3
179.03516	4.3
180.04306	3.9
193.05150	0.5
194.05815	2.6
207.06651	1.0
208.07256	0.7
210.20313	0.3
221.08324	0.4
231.17540	0.5
235.09755	0.9
236.10509	0.6
265.86703	0.4
273.18640	0.5
285.22433	0.4
323.19308	0.4
339.23148	0.9
341.24863	11.9
342.24982	1.5
367.22870	0.9
383.22394	0.5
385.23865	100.0
386.24210	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	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
57.44046	0.4
59.01378	0.8
65.00320	1.3
65.76187	0.4
81.03471	11.0
82.03793	0.4
83.01398	1.6
85.23676	0.4
107.01424	0.6
120.56666	0.4
122.03807	2.3
125.02462	4.8
135.04515	0.9
151.00360	1.2
152.01219	0.7
299.23822	0.7
301.21689	1.9
341.24866	15.4
342.25308	3.3
385.23862	100.0
386.24188	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	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40342	0.3
57.03442	1.4
59.01360	0.8
65.00323	0.9
75.75683	0.4
81.03461	7.9
83.01406	0.7
94.62676	0.3
107.01398	0.7
111.38811	0.3
122.03750	1.7
125.02432	3.7
125.71774	0.4
130.95935	0.3
135.04552	0.6
151.00389	0.5
152.01135	0.4
181.81721	0.4
191.16284	0.4
240.84967	0.4
278.91458	0.4
301.21759	1.0
341.24866	12.6
342.25250	2.6
385.23856	100.0
386.24203	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	385.2386
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
51.99031	0.5
69.23644	0.4
69.82234	2.2
77.03979	0.7
79.01887	1.2
87.39590	0.5
95.05058	0.6
109.02944	1.2
111.04523	0.8
121.02972	0.8
123.00877	0.6
125.02440	1.2
133.58759	0.5
137.02437	2.5
138.03230	12.5
139.03979	1.6
141.81821	0.5
149.06084	0.5
151.03990	1.4
153.05583	8.8
154.05881	0.6
164.01140	0.5
165.01936	7.4
166.02718	16.9
167.03015	0.8
168.20213	0.5
170.02255	0.9
179.03506	10.6
180.04295	5.5
184.59105	0.5
193.05052	8.5
194.05714	1.7
207.06625	3.0
221.08229	1.9
222.08900	0.7
225.23915	0.6
226.04800	0.7
235.09862	1.0
275.12912	1.9
301.14505	2.0
315.16016	0.8
327.16037	0.7
329.17664	0.6
341.17456	2.4
342.78055	0.5
355.19077	1.4
369.20840	1.4
385.23856	100.0
386.24207	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	385.2387
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
57.03440	3.8
59.01390	14.3
61.98832	3.1
65.00316	4.2
69.79102	2.3
69.79512	4.8
81.03461	26.0
83.01405	4.0
83.05030	1.3
85.38063	1.3
95.01409	1.3
103.92013	1.9
107.01327	2.8
109.45173	1.2
111.04551	2.1
119.67406	1.1
121.92319	1.4
122.03740	6.4
123.00950	1.8
123.52004	1.1
125.02455	17.9
126.44127	1.2
135.04512	3.9
151.00342	4.5
152.01158	3.0
153.05568	2.8
164.94196	2.1
166.02724	2.3
166.91080	1.5
166.93819	10.1
179.03459	3.1
183.92371	2.1
187.52341	1.3
208.93102	5.7
210.90001	1.8
210.90668	2.2
210.92802	27.9
211.93141	2.2
284.06888	1.4
286.78094	2.8
299.23880	2.4
300.75815	1.6
301.21716	7.5
328.79224	1.6
341.24838	67.3
342.25223	10.4
367.22543	1.5
385.23843	100.0
386.24228	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	385.2023
Annotation	17-phenyl-trinor-PGE2
Peak:m/z	Relative Intensity
57.03450	2.5
59.01374	2.0
63.02404	1.0
64.43663	1.0
69.65025	1.0
70.17632	2.4
70.18038	1.7
71.05004	4.3
75.52621	1.0
76.07437	1.1
79.01884	5.4
81.03462	2.2
83.05032	1.4
85.74522	1.1
93.03456	1.2
95.01368	1.3
95.05028	4.8
97.02967	2.7
98.19981	1.4
109.02971	1.5
109.06565	1.8
111.04497	1.5
111.95242	1.1
123.04539	1.7
124.01665	13.1
125.02478	8.0
135.04507	1.4
137.02403	5.5
138.03206	5.1
139.04025	40.4
140.04388	3.0
151.00348	2.9
151.04041	1.1
151.07716	1.3
152.01146	6.6
161.09706	1.2
163.00270	1.2
163.07579	1.8
165.01933	17.9
166.02774	6.0
170.02191	2.4
173.06102	1.3
179.03471	4.4
180.04295	1.9
181.05002	1.7
185.09734	1.8
191.03531	1.3
193.05061	3.4
198.47105	1.1
221.08099	1.2
241.16019	1.1
297.18668	2.4
299.20169	2.1
313.14508	2.0
323.20242	7.4
327.15884	5.1
338.15424	1.9
341.17471	3.2
341.21063	3.6
342.17801	1.2
367.19116	62.3
368.19458	9.5
385.20099	100.0
385.24045	25.5
386.20215	18.9
386.24356	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	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03448	3.1
58.00600	2.4
59.01381	62.3
66.05514	0.9
69.03428	1.2
69.36110	7.6
69.36492	1.9
71.01385	70.8
72.01725	1.6
72.99300	3.1
73.02956	14.7
83.01406	5.3
83.05009	1.1
85.02952	20.3
87.00877	2.0
89.02446	34.4
95.01398	4.3
95.05037	1.7
96.96008	2.7
97.02955	4.5
98.19957	2.4
99.00880	3.7
101.02448	35.1
105.07088	1.4
107.04970	1.1
108.05809	3.3
109.02988	1.2
109.06571	1.4
109.33747	0.9
111.04518	2.1
113.02445	26.5
113.06085	4.0
119.03503	13.6
121.06610	1.1
122.03695	1.5
123.08144	3.7
125.02387	1.3
125.06147	2.5
133.98466	1.1
135.08063	1.3
136.05281	2.3
137.02496	1.2
137.06108	1.2
138.06870	23.6
139.07686	10.2
143.03458	3.7
151.07649	21.9
152.04799	2.8
152.08435	42.3
153.09221	100.0
154.09552	6.0
159.03030	4.9
161.04567	19.9
162.04916	1.1
163.11287	3.3
165.09259	1.4
167.07173	2.0
169.01466	1.2
179.05612	2.9
187.11244	1.0
189.09290	1.2
190.10017	1.6
205.12335	31.6
206.12619	2.7
223.13397	15.5
224.13835	1.5
385.11145	1.1
385.18652	8.0
386.18872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82585	0.2
55.01878	0.5
57.03446	0.3
58.80195	0.3
59.01372	0.3
63.37937	0.2
69.41440	0.4
69.41845	2.1
71.05022	15.2
72.05363	0.5
72.27782	0.3
75.28882	0.3
75.95023	0.2
77.03970	0.4
79.01910	0.6
81.03420	0.3
83.01396	2.0
95.05043	1.6
97.02952	6.8
98.19859	0.6
115.97755	0.3
119.05040	0.3
121.02973	0.6
125.02474	1.5
135.04550	0.9
137.02495	0.4
137.06096	0.9
139.04019	100.0
140.04355	4.5
163.04024	1.4
165.01950	0.7
181.05069	1.9
245.15440	1.9
325.27469	0.4
385.20056	4.5
385.23975	0.5
385.29507	0.4
386.20294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89807	0.6
55.01876	1.7
57.03451	2.9
58.00600	6.2
58.40899	0.5
59.01381	100.0
60.01711	1.3
61.98832	1.2
66.03494	2.2
70.17914	2.1
71.01386	76.5
72.01713	1.8
72.99306	4.6
73.02956	5.9
75.00900	1.0
83.01394	4.1
85.02956	14.7
86.03306	0.6
87.00877	5.1
89.02448	92.8
90.02785	2.2
95.01395	5.3
96.30608	0.6
96.96005	2.2
97.02972	0.8
98.19918	0.6
99.00866	2.0
101.02448	42.0
102.02798	1.9
107.04990	0.6
109.02945	0.6
110.02489	5.0
113.02451	31.5
114.02785	0.9
114.05567	1.2
119.03507	38.3
120.03813	0.8
120.99657	0.6
121.02985	0.6
123.00865	0.6
123.04497	0.8
123.08150	2.1
125.02512	1.1
125.09721	0.8
129.01921	0.6
131.03516	3.9
132.45322	0.5
135.08113	1.2
137.02361	0.6
138.06783	0.7
139.00357	0.5
143.03506	6.1
147.08151	1.2
149.02483	1.1
149.04514	3.2
149.05931	0.5
151.07585	0.5
153.08060	0.7
153.09219	12.4
159.02988	1.3
161.03439	0.6
161.04584	9.5
161.09624	0.9
163.03983	1.1
163.11235	0.6
164.04742	1.2
165.09172	0.9
169.01425	0.9
177.12834	0.8
179.04097	0.8
179.05617	13.9
179.07094	1.0
187.11270	4.7
189.09140	0.7
190.02658	0.9
190.09911	1.1
203.10674	0.9
204.11400	1.4
205.05032	1.2
205.12334	16.1
206.12529	1.2
223.06064	1.4
223.13359	1.7
233.11700	2.1
265.06937	0.9
295.08008	1.1
300.99673	0.6
306.13162	0.5
325.09027	1.7
356.35559	0.5
385.00745	0.6
385.06332	0.6
385.11221	1.7
385.18829	3.4
386.12305	0.6
386.19040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
59.73355	0.3
61.09156	0.3
69.75368	1.8
71.05025	15.8
72.05346	0.3
79.01913	0.4
83.01390	1.7
83.05019	0.4
95.05031	2.1
95.40310	0.3
97.02955	7.8
98.02502	0.3
98.03259	0.4
114.96388	0.3
121.02966	0.5
125.02457	1.0
134.06476	0.3
135.04520	0.9
137.06093	1.0
139.04019	100.0
140.04366	4.7
163.04028	1.4
165.01917	0.8
181.05115	2.0
196.55498	0.3
203.14435	0.6
245.15483	3.2
385.20160	3.8
385.23923	0.4
386.20535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44291	2.4
59.01385	48.1
59.19442	2.2
69.43018	5.7
69.43428	17.3
71.01385	35.8
72.99314	4.1
81.17103	2.6
83.01408	3.4
85.02952	5.9
89.02451	27.4
95.01377	3.2
97.06580	2.6
98.19880	3.8
98.67780	2.8
101.02462	13.6
111.04564	4.8
113.02467	13.1
114.07700	2.5
119.03524	6.1
120.05820	3.5
121.10242	2.8
125.02422	2.5
133.10213	5.5
135.11816	22.5
146.07402	3.3
159.11835	5.5
161.04549	3.5
161.09737	46.0
177.12904	3.4
179.10786	100.0
180.11108	8.4
192.93282	2.8
193.12297	4.6
203.10796	37.7
204.11049	3.8
221.11937	17.1
221.13713	2.4
223.07603	3.6
223.09769	53.9
224.10159	5.4
229.81476	2.7
231.52164	2.6
233.11920	3.8
238.10048	2.9
242.48909	3.1
243.77301	2.7
251.12790	3.1
265.10757	4.9
325.12860	6.9
385.23398	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26839	0.8
54.02851	0.8
59.01384	100.0
60.01707	1.7
69.35629	8.7
70.87658	0.8
71.01390	3.6
72.81551	0.8
73.02971	1.1
85.02962	1.9
86.41421	0.9
89.02448	1.2
98.20673	1.3
101.02462	2.2
107.42081	0.8
125.02485	0.9
125.39793	1.0
136.68784	0.9
137.02495	1.0
148.05315	22.5
149.05649	1.2
161.04562	3.7
163.07672	29.7
164.07944	2.6
176.02539	0.9
177.93727	0.8
179.10791	2.3
180.19345	1.0
281.86838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	1.2
57.03455	17.9
57.05186	0.9
59.01376	1.2
69.33490	6.1
71.05022	1.1
77.62315	0.7
79.95756	3.8
83.05047	0.9
95.21082	0.6
96.96020	65.5
97.06593	2.1
123.08173	20.6
124.08500	0.8
126.85843	0.7
133.06622	2.5
148.05260	2.2
149.09743	6.4
173.09724	7.0
174.10252	1.0
175.11238	0.7
187.11299	4.5
189.12878	1.9
191.14462	1.9
201.12877	3.7
202.13531	1.2
217.15981	16.0
218.16269	1.6
223.09938	0.8
243.17543	1.1
245.15479	2.6
261.18616	31.7
262.18939	4.4
287.16528	0.8
305.17596	24.7
306.18051	3.3
385.13284	100.0
386.13687	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	385.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	1.1
57.03452	15.1
59.01388	3.6
60.56520	0.5
69.03439	0.8
71.01387	1.8
71.05011	1.8
71.10332	0.6
71.61040	1.0
73.02948	1.0
75.00889	1.2
79.95744	4.1
81.03466	1.0
83.05043	0.7
85.02947	1.5
96.96020	68.2
97.06599	2.1
101.02425	0.6
106.83179	0.6
107.05023	1.5
111.00851	0.9
122.03714	1.1
123.08179	17.6
124.08503	1.4
125.02444	0.8
133.06596	1.9
137.02463	1.2
148.05272	2.1
149.09749	7.2
152.08476	0.6
153.09203	1.3
161.09784	1.1
163.07605	0.6
165.01935	2.3
173.09714	6.4
174.10417	1.3
187.11292	4.4
189.12837	2.3
191.14435	1.3
201.12848	2.6
205.12318	0.8
217.15974	15.8
217.18080	1.3
218.16272	2.7
223.13458	0.7
243.17593	1.6
245.15459	1.1
259.16907	0.9
261.18616	32.0
262.18964	3.7
287.16852	0.8
305.17618	26.2
306.17929	3.3
341.06827	1.0
341.24664	0.9
385.13272	100.0
385.23550	6.6
386.13623	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49551	2.5
58.00593	3.2
59.01385	61.7
69.40389	22.9
69.40726	5.1
71.01389	55.0
73.02953	7.0
75.00866	3.8
83.01407	6.7
83.05028	4.5
85.02972	6.7
89.02466	18.7
95.01388	2.8
96.96018	3.8
101.02452	18.9
111.04558	7.8
113.02449	11.2
113.06107	6.7
119.03501	4.0
121.10266	8.8
123.00850	12.1
131.40228	2.7
133.10249	4.6
135.04515	7.3
135.11807	21.4
138.03253	6.3
147.11801	2.9
149.09705	12.7
155.01811	2.4
159.08205	9.9
159.11821	17.4
161.09741	38.7
175.11293	3.6
177.12857	12.1
179.10802	100.0
180.11143	6.1
189.12888	3.8
191.10815	3.8
193.12367	17.7
194.12642	3.6
203.10800	93.4
204.11134	8.3
221.11877	37.8
222.12325	2.8
223.09801	47.7
223.13203	3.8
233.11868	7.7
251.12830	3.8
265.10785	4.7
281.06671	3.0
295.05905	3.1
295.11792	5.0
299.99142	3.2
313.07190	4.2
325.13004	23.1
341.06528	21.4
342.07190	3.5
385.15482	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	385.1141
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01887	2.0
57.03439	2.7
59.01381	28.8
69.65643	8.1
69.89915	1.3
70.15003	1.2
71.01383	29.3
72.99304	4.3
73.02964	1.9
75.00871	14.2
83.01426	2.2
85.02958	26.7
86.03291	1.3
86.45981	1.3
87.00887	9.6
89.02447	14.6
91.05548	7.4
95.01365	5.9
96.96001	4.0
99.00870	8.3
101.02438	4.5
109.02961	1.3
112.01611	1.3
113.02453	34.7
114.17311	1.4
115.00378	2.7
117.01950	2.3
117.03468	5.4
119.01384	4.4
119.03462	1.9
129.01956	2.6
133.02939	8.7
135.04500	3.9
137.02454	1.7
147.00916	3.4
149.02412	5.3
161.02455	27.3
162.02753	1.5
164.04800	7.7
175.00374	27.9
175.02118	1.5
175.02534	1.7
179.03540	1.4
179.07115	3.0
190.00963	2.9
190.02721	66.8
191.03139	5.6
205.05060	100.0
206.05423	6.7
208.03781	1.8
208.92332	1.4
221.08110	1.5
223.06148	16.4
223.08096	2.5
224.06471	2.4
232.03632	3.3
247.06133	5.8
249.06123	8.7
265.07181	3.8
267.07205	96.1
268.07492	7.9
279.96823	1.6
295.08569	1.5
325.09216	1.9
385.11417	43.4
386.11719	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03442	3.8
59.01384	18.7
69.03466	1.5
70.80933	0.9
71.01389	24.1
72.98916	0.9
72.99316	4.5
73.02951	3.2
75.00876	17.0
79.40749	1.1
83.01417	1.6
85.02962	26.4
87.00880	10.8
89.02454	6.6
91.04046	1.1
91.05540	22.1
92.05936	1.3
93.03426	1.3
95.01406	5.3
99.00890	11.0
103.00386	2.4
113.02468	34.0
115.00413	1.8
117.01952	3.6
117.03481	4.2
129.01895	2.4
135.04555	10.6
153.59741	1.1
175.02473	2.6
175.70058	1.0
183.95779	1.2
205.07141	2.1
205.10693	1.1
207.05188	1.3
231.05060	1.7
244.82603	1.2
249.06174	37.0
250.06490	2.7
267.07227	100.0
268.07648	7.1
313.24091	1.0
366.94498	1.1
385.11423	35.9
386.11752	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	385.1143
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.68262	0.8
57.03450	1.6
59.01382	2.6
59.36811	1.0
60.48416	0.9
71.01388	7.7
71.36945	1.5
71.37273	1.0
72.99310	0.9
74.25802	1.0
78.92915	0.8
79.95731	1.3
85.02961	2.4
85.03439	0.9
87.00885	43.7
87.04520	5.0
88.01192	1.3
93.03409	0.9
96.96000	3.5
99.04517	1.2
115.04028	2.7
119.04959	0.8
119.75272	0.9
120.99700	0.9
121.02950	5.1
123.00935	1.9
123.04536	1.8
125.02477	6.5
135.04584	1.2
137.02562	1.1
138.03275	2.2
140.64821	0.9
149.02399	0.9
151.00383	7.4
153.05576	5.5
163.04028	12.8
163.05261	1.7
164.04770	1.7
165.05577	2.0
166.01450	1.4
166.02727	15.3
167.03189	1.0
172.29947	0.9
173.05873	0.9
175.04039	2.2
177.01939	2.5
177.05602	1.0
178.06363	25.5
179.03633	1.7
179.06982	3.3
181.05089	10.4
182.05376	1.0
187.04047	2.0
188.04796	1.8
190.02686	1.0
191.03485	4.1
192.04202	1.0
193.05081	23.7
193.08711	32.7
194.05588	1.5
194.09050	2.2
202.06374	1.7
203.03560	3.1
205.05089	4.1
206.05731	1.9
207.06619	3.7
208.07430	20.7
209.07837	1.5
217.05055	2.5
217.08777	1.3
218.05768	2.0
219.06651	1.5
221.04478	2.7
221.08148	2.5
223.06325	1.5
223.09758	35.6
224.10121	2.7
230.02237	2.4
231.03035	2.4
233.08133	1.2
234.05391	1.0
236.06718	1.2
237.04100	1.2
245.04584	3.5
246.05251	2.2
249.04063	1.8
249.07706	2.0
251.09277	3.0
252.61101	0.9
260.06924	2.7
261.07614	6.9
264.06415	3.8
275.09363	1.7
279.08749	100.0
280.09076	10.9
339.10861	17.2
340.11417	2.3
341.06635	1.4
385.11417	80.6
386.11707	11.7
389.11105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86879	0.5
53.31343	0.5
57.03429	0.7
59.01373	0.9
61.98837	100.0
69.51978	4.1
71.05040	0.6
75.39330	0.5
95.05051	2.1
97.03012	0.7
98.20638	0.9
117.54008	0.5
121.03001	0.5
121.42326	0.5
125.02449	2.4
138.03307	0.6
139.04030	3.3
139.31169	0.5
153.05548	0.6
168.74257	0.6
208.56863	0.5
260.14789	0.6
277.18094	1.1
295.57684	0.5
312.26984	0.6
321.17090	21.6
322.17334	3.6
384.08170	0.6
385.16483	1.8
385.20380	1.0
385.24384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99612	0.8
57.03423	0.7
59.01408	0.9
61.98834	100.0
67.33763	0.6
69.72415	4.7
95.05061	1.6
98.19839	0.8
99.33493	0.7
125.02449	1.2
131.94566	0.7
139.04051	3.1
142.67934	0.8
143.36925	0.8
149.69221	0.8
241.21938	0.7
277.18158	1.3
321.13272	1.5
321.17053	23.7
321.20651	1.4
322.17444	2.6
385.16367	1.0
385.24063	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	384.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44693	1.0
57.03448	1.5
59.01365	1.3
59.23028	0.9
61.98834	100.0
65.72207	1.2
98.20250	5.5
98.81482	1.0
125.02444	5.4
131.08240	4.6
343.15543	2.1
385.16501	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	383.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31734	0.4
57.03450	2.7
59.01374	1.1
65.00322	1.7
69.59342	1.6
69.59772	1.4
72.37749	0.6
81.03043	0.7
81.03468	8.6
83.01402	1.4
83.05030	1.0
95.01397	3.7
107.01379	1.0
122.03745	1.2
123.00877	1.5
124.01662	2.2
125.02467	5.7
135.04547	1.6
149.06039	0.5
151.00386	3.5
152.01184	4.7
166.02768	3.7
177.09160	0.8
179.03531	3.8
180.04250	0.5
191.10660	0.6
193.05029	1.0
207.06668	0.5
221.08203	0.7
235.09839	1.1
247.17055	0.9
265.11618	0.5
297.22122	0.5
299.20276	1.0
339.23343	8.7
340.23642	1.7
383.22296	100.0
384.22665	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	383.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88209	0.4
57.03448	3.0
59.01371	0.9
59.94749	0.4
65.00323	1.4
69.55414	3.2
69.55754	0.6
72.70551	0.4
74.30783	0.4
79.01902	0.7
81.03463	10.8
83.01396	1.3
83.05018	0.8
85.06607	1.4
95.01389	2.0
98.20604	0.8
107.01385	1.2
109.06590	1.5
111.04506	1.0
111.27022	0.4
122.03731	1.7
123.00877	1.2
123.04529	0.6
124.01668	2.8
125.02448	6.2
135.04568	2.0
151.00395	3.0
152.01155	3.3
153.05592	3.9
158.80197	0.4
163.07660	0.4
166.02728	3.0
167.26666	0.4
168.16856	0.4
177.47180	0.4
179.03526	5.2
180.04259	1.5
181.63292	0.4
191.10719	0.8
193.05046	1.1
194.05855	0.7
207.06613	1.5
219.34619	0.4
221.08234	0.9
228.06654	0.4
235.09737	1.4
283.17038	0.6
290.15213	0.5
297.22192	1.0
299.20135	1.2
315.55243	0.4
339.23291	12.1
340.23651	1.5
372.84134	0.4
383.22287	100.0
384.22604	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	383.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55886	2.3
69.56303	1.6
77.03962	0.7
79.01900	1.9
95.05045	0.7
97.02927	0.8
98.19878	1.2
105.03489	0.6
107.05030	0.8
109.02950	1.5
112.55872	0.6
114.76415	0.5
119.00517	0.5
121.02967	1.1
135.04529	1.1
137.02444	2.6
138.03241	11.2
139.03987	2.1
149.06096	1.0
151.04021	5.5
152.01123	0.7
152.04620	0.7
153.05580	8.4
154.05875	0.8
164.01192	1.1
165.01930	7.2
165.05531	0.9
166.02733	16.1
170.02216	1.0
179.03502	26.5
180.04276	6.6
181.04945	0.8
191.07153	0.9
193.05067	7.1
194.05753	1.9
207.06691	5.2
221.08194	3.0
235.09781	1.7
247.09691	0.7
263.35254	0.6
275.13077	1.8
287.13058	1.0
291.50040	0.5
297.54761	0.6
313.14438	1.7
314.14542	0.6
327.16235	0.9
339.16031	0.7
353.17712	1.1
367.19205	3.3
368.19965	1.1
383.22299	100.0
384.22635	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	383.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
65.00336	0.4
69.67499	1.0
69.67903	1.6
72.03055	0.4
74.50365	0.4
77.03976	0.7
79.01913	1.8
81.03469	2.4
88.15173	0.4
95.01384	1.2
95.05038	0.9
97.02968	0.5
105.03477	0.7
109.02930	1.2
111.04565	1.1
113.49091	0.4
121.02945	0.5
122.03742	0.5
123.00867	1.0
124.01699	1.0
124.28511	0.4
125.02431	2.4
135.04523	1.3
137.02466	2.4
138.03236	13.8
139.03978	1.4
149.06096	1.1
151.00391	1.3
151.04001	4.5
152.01163	1.8
153.01843	0.5
153.05589	8.9
155.06441	0.6
157.75737	0.4
163.00359	0.5
163.07651	0.6
164.01202	1.3
165.01924	7.7
165.05579	0.9
166.02719	14.7
170.02229	0.7
179.03500	23.6
180.04268	5.6
191.03479	0.8
191.07127	1.0
192.04297	0.6
193.05060	9.2
194.05801	2.4
198.01584	0.5
203.07248	0.6
205.08690	0.8
207.06602	5.3
208.07231	0.7
208.86517	0.5
221.08147	3.1
222.08859	0.5
231.06721	0.8
235.09760	2.2
247.09883	1.0
261.11099	0.6
275.12927	0.8
276.03534	0.5
287.12848	0.6
299.20032	0.6
301.14407	0.6
313.14380	1.7
327.16187	0.5
339.16135	0.8
339.23297	4.4
340.23468	0.5
353.17505	1.4
367.18988	2.4
368.19751	1.4
383.22275	100.0
384.22598	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30523	0.3
57.03458	1.8
59.01384	1.3
59.87045	0.2
65.00330	1.3
69.03472	0.2
79.05537	0.6
81.03467	6.1
83.01404	1.6
83.05057	0.6
93.07120	0.4
95.01373	0.6
95.05039	0.7
97.06612	0.7
103.76247	0.3
105.03474	0.4
107.01389	0.7
107.05045	0.6
108.02204	0.6
119.05052	0.3
121.03008	0.3
121.06622	2.0
122.03766	0.8
123.04579	1.5
124.01716	1.4
125.02471	3.4
133.06598	0.4
135.04550	1.4
135.08165	0.5
136.02531	0.3
137.02463	0.5
145.06569	0.3
149.02451	0.6
149.06108	0.3
149.09694	0.4
149.34668	0.3
151.00360	0.9
151.03987	0.4
152.01129	1.3
152.04517	0.3
156.30858	0.3
159.08424	0.9
164.04831	0.3
165.05606	2.0
166.02727	0.7
173.09819	0.4
175.07655	0.3
177.01883	0.5
179.03568	1.1
180.04289	0.4
190.02570	0.3
191.03587	1.4
191.14366	0.4
203.03511	0.3
203.91522	0.3
205.05035	0.7
206.06039	0.3
219.06714	0.5
229.69637	0.4
233.08211	0.4
246.30742	0.3
247.09912	0.6
259.16986	0.9
273.11356	0.5
275.12830	0.3
297.22287	1.4
299.20114	0.5
309.18823	0.4
321.22375	0.4
337.21619	0.5
339.23315	15.1
340.23645	2.7
365.21112	0.7
383.22275	100.0
384.22604	16.6
384.27914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
60.39748	0.7
68.87936	0.6
69.84540	3.5
69.84826	1.1
71.05020	0.8
71.61520	0.6
73.02937	0.7
79.01896	5.3
79.40431	0.6
83.28859	0.6
85.06598	6.9
91.05550	1.0
97.02966	3.1
99.99690	0.6
107.05080	1.6
107.74032	0.6
108.77650	0.6
109.06610	6.9
111.04533	8.1
123.04440	1.2
135.04529	2.9
151.04036	1.8
152.04774	2.1
153.05576	21.1
163.07660	0.7
165.01883	1.8
174.83955	0.8
175.04019	0.7
179.03490	6.6
180.04285	10.0
193.05063	3.3
194.05827	4.0
195.06383	0.8
207.06651	5.3
208.07341	1.3
212.03354	1.0
221.08209	2.9
235.09644	1.8
236.10475	1.3
249.11444	0.7
290.15234	2.9
291.15967	1.0
327.16156	0.8
339.23178	3.6
340.23477	1.0
383.22290	100.0
384.22580	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	384.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01635	1.5
56.80692	1.4
57.03450	5.6
59.01379	10.1
59.56004	1.6
61.98835	100.0
65.00336	1.8
70.11597	1.5
71.01379	1.5
77.71902	1.4
78.95901	2.0
81.03453	6.1
83.01367	2.4
83.04987	1.6
95.05020	1.6
104.80357	1.6
107.05000	1.9
111.36654	1.8
114.61240	1.5
125.02460	33.5
153.05585	4.5
217.12271	2.5
247.16943	2.8
261.11334	6.2
278.04807	1.7
321.13425	21.3
321.17093	13.6
338.41165	1.6
341.17401	1.9
341.24802	4.1
354.10635	2.3
369.12909	1.6
384.08249	2.8
384.15146	2.7
385.16437	32.2
385.24118	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	383.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58994	0.2
53.23927	0.2
55.01877	0.6
56.76313	0.2
64.48026	0.2
69.60400	1.2
69.60824	0.5
71.05023	16.5
79.01888	0.4
83.01395	1.6
95.05039	1.6
97.02953	7.2
103.99601	0.2
112.04635	0.2
119.04977	0.2
121.02984	0.8
133.10301	0.3
135.04489	0.6
137.06117	0.9
139.04019	100.0
140.04347	4.4
163.04036	1.3
165.01985	0.3
181.05083	2.0
188.29614	0.2
188.38506	0.2
201.12880	0.4
243.13846	1.9
383.18542	2.9
383.22571	0.3
384.18860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.6
59.01388	0.4
60.05976	0.3
65.00329	21.8
66.00669	0.3
71.61274	0.4
76.13948	0.3
81.03461	2.7
83.01394	8.1
83.01878	0.5
83.59666	0.3
93.19096	0.3
97.06583	0.3
98.66873	0.3
114.90265	0.2
122.03769	1.5
123.04536	2.5
124.01643	0.4
124.70260	0.3
125.02452	100.0
126.02798	4.1
135.04524	1.6
139.04031	0.6
164.01178	0.3
179.03477	0.8
203.03499	1.0
273.22113	0.8
297.22089	1.1
314.15222	0.8
339.23270	8.2
340.23779	1.6
341.21075	0.6
358.76465	0.3
383.22235	33.2
383.25949	1.7
384.22556	6.2
384.27252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03446	0.9
59.01362	0.9
61.60896	0.9
69.86937	1.1
69.87340	2.6
79.01905	3.8
81.03468	1.1
82.88080	0.7
85.06611	4.7
91.05537	1.2
97.02972	2.1
107.05038	1.6
109.06602	8.6
111.04543	6.4
123.04520	2.9
125.02436	2.9
133.25635	0.7
135.04570	4.9
144.59491	0.8
151.04033	1.8
153.05586	24.5
154.05907	1.4
162.06914	1.1
179.03522	4.6
180.04277	6.1
185.77205	0.7
194.05804	2.7
195.06544	1.2
207.06662	2.3
235.09729	1.2
289.17834	0.8
291.97443	0.9
325.18997	0.8
337.21964	1.0
339.23273	5.9
383.22260	100.0
384.22549	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	383.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34126	0.3
56.07866	0.3
57.03436	1.2
59.01372	0.6
59.83796	0.3
65.00336	0.5
67.01930	0.3
70.22770	0.7
70.23167	0.5
79.05519	0.5
81.03475	1.5
83.01385	0.7
83.05064	0.3
91.42940	0.3
93.03500	0.3
95.01414	0.3
95.05022	0.6
97.06593	0.4
105.07122	0.4
107.05032	0.8
121.06602	0.8
123.04487	0.7
123.70785	0.4
123.71651	0.3
124.01691	2.1
125.02402	0.6
131.08670	0.5
133.06618	0.5
135.04546	0.5
137.02499	0.6
143.05002	0.5
144.79024	0.3
146.23958	0.3
150.03255	0.8
151.00319	0.4
151.04015	0.7
152.01212	0.6
157.06570	0.4
158.07452	0.3
159.08150	0.4
161.02425	0.4
161.06134	0.5
162.03271	0.4
163.03903	0.7
164.04781	0.6
166.02679	0.4
173.09688	0.6
177.01944	0.8
178.02722	0.5
179.03481	0.6
185.06155	0.3
190.02777	0.4
191.03571	0.7
192.04247	0.3
199.07681	0.7
203.14334	0.6
204.04308	0.4
205.05046	1.2
229.05136	0.5
235.09641	0.4
245.15456	1.5
247.09808	0.8
259.09906	0.7
269.15509	0.4
273.22119	0.5
275.12830	0.3
281.19113	0.4
285.18423	0.7
289.14423	0.5
297.22302	2.9
298.22800	0.4
299.20013	0.3
311.23865	0.6
313.14474	0.3
315.15979	1.2
316.16232	0.4
321.22357	0.5
329.17737	0.8
337.21848	0.6
339.23297	21.3
340.23651	3.2
341.21100	0.4
365.21115	0.9
383.22299	100.0
384.22632	19.3
384.30188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57190	1.3
57.03456	9.1
65.00323	2.0
69.27697	2.0
69.28094	13.3
75.48399	1.5
83.01392	5.9
93.03496	1.5
101.47664	1.4
107.01368	2.4
109.02943	3.5
123.04528	4.2
125.02451	100.0
126.02759	3.1
137.02441	4.2
139.04008	1.8
146.89978	1.4
149.02437	6.4
150.03258	1.9
151.00375	13.6
151.04012	11.4
152.01146	6.8
153.01955	11.5
161.02414	1.3
171.04538	1.8
174.03239	3.3
175.04019	19.9
177.01929	21.8
178.99898	10.2
181.01424	2.8
188.04805	1.9
189.05530	4.2
190.42659	1.5
199.03973	8.9
200.04405	1.6
201.01913	2.5
217.05061	9.9
224.80176	1.6
230.99646	12.0
232.07281	1.7
241.05064	7.0
257.04541	2.1
259.06091	4.2
263.52161	1.4
275.05496	6.8
285.04053	64.7
286.04413	6.7
303.05127	46.1
304.05362	5.4
383.00781	81.4
384.01099	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	383.0775
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
56.80854	0.9
56.95827	0.8
59.01377	1.9
59.72703	0.7
61.98834	16.5
66.97897	0.7
68.99831	1.3
70.95529	0.8
78.95918	3.2
80.08571	0.8
85.02975	1.9
87.00871	1.0
90.50022	0.9
113.02422	2.1
121.02965	100.0
122.03319	4.8
123.99887	0.8
125.02466	1.3
139.03993	1.3
145.02931	1.5
147.04549	2.2
148.11205	0.9
149.02400	3.1
157.18799	0.8
167.06926	0.9
180.05872	1.0
181.06616	3.5
191.03511	10.4
221.52869	0.9
225.05621	8.4
226.05830	0.8
251.07234	2.9
285.03879	0.9
295.06143	11.4
311.09265	13.5
312.09677	1.3
313.07224	20.3
314.07590	2.1
321.24335	3.0
339.05042	1.4
339.08777	15.1
340.09039	1.6
355.08252	1.5
365.23505	4.3
383.07727	30.2
383.18561	1.7
383.24582	6.6
384.08109	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	383.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76641	1.0
59.01379	2.5
64.50814	0.8
67.33125	0.8
69.43156	2.4
69.43587	4.2
71.01374	1.6
74.99120	1.3
83.03812	0.8
85.02958	8.0
87.00877	2.5
89.02471	0.9
93.03456	2.7
96.96018	2.1
101.88644	0.9
108.02175	5.8
109.02972	1.5
110.32475	0.9
111.00860	1.1
117.05595	2.2
120.99612	1.0
125.02494	1.3
127.04050	2.0
137.02492	1.3
143.03474	1.0
152.01166	3.6
153.01952	2.4
171.84163	0.8
173.04530	1.3
184.65118	1.0
191.05623	100.0
192.05948	3.8
241.31641	0.8
261.31696	0.8
279.86649	0.8
285.06149	6.7
378.31546	1.1
383.10513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.9
71.01373	1.7
71.05027	10.9
71.12621	1.1
73.02951	2.2
85.02970	1.1
89.02473	1.4
96.96041	0.9
101.02460	1.5
103.04008	6.7
117.05585	100.0
118.05928	4.0
161.02362	0.9
161.04573	0.9
187.34479	0.5
223.08224	2.2
258.21906	0.6
265.06931	0.7
271.04745	0.9
295.08191	0.7
311.36761	0.6
383.11066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1864
Annotation	(+)-Bisabosqual A
Peak:m/z	Relative Intensity
53.13208	0.2
55.01875	0.8
62.08704	0.2
68.36525	0.2
68.77013	0.2
69.71932	1.4
71.05024	16.1
72.05352	0.6
72.47404	0.2
79.01914	1.2
83.01389	1.7
95.05032	1.9
96.35072	0.3
96.62917	0.2
97.02950	7.1
98.03340	0.3
102.13499	0.2
109.33650	0.3
109.58770	0.3
121.02957	0.7
133.10249	0.5
135.04515	0.9
137.06065	0.9
139.04021	100.0
140.04366	4.3
150.99779	0.2
163.04034	1.4
165.01926	0.9
181.05115	2.1
182.05382	0.2
192.04836	0.3
195.63663	0.3
207.96727	0.2
243.13861	2.1
244.14191	0.4
323.38046	0.3
348.18195	0.3
383.18536	3.2
384.19012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
57.03188	0.8
57.03454	13.3
57.72786	0.6
58.03771	0.8
59.01383	6.6
69.03445	1.1
69.77710	0.6
70.12709	1.4
70.13121	2.2
71.05006	0.7
73.02941	0.7
78.95908	32.5
83.01365	0.8
83.05035	2.0
85.02952	1.3
86.93517	0.6
97.06609	1.4
98.20537	1.1
106.46711	0.7
124.01659	1.4
125.09737	1.8
135.04533	1.0
139.04031	6.9
141.12892	6.4
153.12929	1.0
155.14468	0.6
158.92577	1.2
165.12859	1.9
169.12352	4.9
169.15967	1.2
171.13895	2.6
177.33556	0.6
195.13852	1.2
197.05246	0.6
277.25388	2.7
279.23318	0.9
293.17459	0.8
295.26346	3.2
297.24380	1.4
300.99979	1.5
311.25781	1.7
337.27490	32.1
338.27798	5.5
381.12286	1.8
381.26483	100.0
382.26785	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
58.02978	0.7
59.01382	12.8
61.98839	0.5
69.66130	1.2
69.66552	2.6
71.01385	9.7
72.01737	0.5
72.99327	1.3
73.02956	2.3
75.00452	1.1
75.00877	19.7
75.01291	1.1
79.95744	0.5
83.01404	1.0
85.02951	3.9
87.00873	17.9
89.02435	5.6
93.06715	0.4
95.01408	1.2
96.96051	1.8
99.00877	1.3
101.02448	5.6
103.04050	1.3
109.02932	0.6
113.02452	3.2
115.05546	6.5
116.05073	3.1
117.01953	0.8
117.05560	2.6
119.03503	1.6
120.99671	1.2
122.99265	1.0
123.00913	0.8
123.04533	0.8
125.02453	1.4
126.72732	0.5
130.06622	8.2
131.07100	0.8
132.04567	27.6
133.04999	3.8
134.05441	0.7
135.04562	0.6
138.03889	0.5
143.04663	0.9
144.04587	1.8
146.06139	0.9
151.04024	0.7
157.05382	1.4
158.06126	100.0
159.06471	5.8
161.02477	1.2
161.04552	0.7
169.01430	0.9
169.22453	0.5
174.05576	3.9
176.03490	0.5
176.07162	1.2
177.15440	0.5
194.06467	1.0
202.05110	43.1
203.05489	2.8
209.33229	0.6
220.04140	0.8
220.06163	8.2
221.06375	0.6
231.05072	0.5
231.85320	0.5
237.06154	7.9
248.08665	0.7
249.03722	1.0
249.06131	12.9
250.06435	0.7
262.07217	1.7
265.09576	0.6
266.09589	1.2
267.09604	0.5
275.02240	0.5
281.04514	0.5
300.99799	1.2
327.01675	0.5
338.11798	1.1
340.09317	0.6
364.09442	0.7
382.11383	53.8
383.04608	0.6
383.11859	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	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.51593	0.6
57.03446	1.2
59.01385	12.0
62.82810	0.6
69.53497	1.0
69.53897	2.7
71.01389	8.5
73.02961	1.6
75.00880	19.0
83.01378	0.9
85.02959	2.7
87.00886	17.2
89.02463	5.6
95.01400	1.0
101.02457	4.1
113.02480	2.2
115.05560	6.3
116.05067	3.3
116.05807	0.8
117.01966	1.0
119.03513	1.8
120.64812	0.6
129.01903	0.7
130.06636	8.1
131.06999	0.7
132.04565	29.2
133.04933	1.6
141.45007	0.7
144.04567	2.4
146.06154	1.2
151.07631	0.7
157.05342	1.4
158.06123	100.0
159.06468	7.1
161.04578	0.7
174.05586	3.3
176.07179	1.0
188.22614	0.6
202.05110	48.3
203.05505	3.9
203.07152	0.6
203.10838	1.7
220.06146	9.2
221.11885	1.4
237.06155	7.1
238.45544	0.6
249.06181	11.8
262.07190	1.4
316.33383	0.5
337.10800	0.7
363.34671	0.6
382.11453	59.2
383.11749	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	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62547	0.5
55.01880	0.6
57.03444	0.7
59.01388	0.9
64.52079	0.6
68.53705	0.4
69.03470	0.6
71.05030	12.9
71.60584	0.6
72.05413	0.5
73.02962	1.1
75.97067	0.4
78.95911	15.4
79.01888	1.3
81.03475	0.7
81.25902	0.5
83.01404	0.8
87.00893	0.8
93.03466	0.9
95.05035	11.7
96.05385	0.7
97.02956	9.1
97.06604	0.5
107.05031	0.5
111.43056	0.5
121.02971	1.4
122.03746	0.7
123.04528	0.7
124.01664	2.5
125.02477	0.6
137.06084	2.0
139.04021	100.0
140.04376	4.3
141.12828	2.4
151.03958	2.3
152.01155	1.0
165.01938	1.5
165.05576	2.2
171.13901	0.7
177.05644	0.5
185.15451	0.8
261.22253	1.1
293.03015	0.5
293.17819	0.6
300.99979	0.6
315.47156	0.5
319.22882	0.9
319.26437	1.8
337.23907	3.1
338.24075	1.0
342.40219	0.5
349.19995	0.5
363.21893	2.8
381.12369	1.7
381.22818	84.5
382.23172	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
57.03446	0.3
58.18322	0.2
59.01389	0.3
63.02401	0.7
65.00334	0.4
68.21367	0.2
69.03468	0.2
69.71950	0.8
69.72353	0.4
71.05019	2.2
73.02970	0.2
78.95906	6.3
79.01897	0.3
81.03458	0.3
82.92479	0.2
83.01398	0.3
85.02964	0.2
93.03437	0.2
95.01403	0.4
95.05025	2.2
97.02957	2.2
98.19862	0.3
104.27564	0.2
107.01408	0.2
110.32802	0.2
111.00887	0.3
115.07516	0.2
121.06587	0.3
123.00850	0.2
123.04527	0.3
124.01667	28.9
125.02424	1.4
135.04546	0.5
137.02460	0.3
139.04018	100.0
140.04359	5.2
141.12852	0.8
141.95888	0.2
146.34221	0.2
149.06035	0.3
151.00314	0.4
151.03983	0.6
152.01160	3.6
153.01863	0.4
158.92548	0.3
165.01952	0.6
165.05547	0.6
166.02757	0.5
167.03381	0.4
177.05586	0.2
179.03484	2.0
193.05031	0.6
223.06133	0.7
238.81781	0.2
300.99866	0.5
306.84882	0.3
349.20276	0.3
363.21912	0.6
381.22845	43.8
382.23175	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95668	0.2
52.78273	0.2
57.03440	0.2
57.42049	0.2
62.49250	0.2
63.02393	0.6
65.00333	0.5
66.13982	0.2
69.61176	0.4
69.61591	1.0
70.59913	0.2
72.59238	0.2
78.95905	3.4
79.60741	0.2
85.02950	0.5
95.01409	0.4
95.05050	0.4
97.02963	0.9
121.02998	0.2
123.04502	0.4
124.01672	33.5
125.02432	1.4
137.02437	0.2
139.04024	100.0
140.03334	0.4
140.04350	4.0
149.21391	0.2
151.00362	0.6
152.01158	2.9
153.01764	0.2
165.01942	0.5
165.19609	0.2
165.49631	0.2
166.02708	0.6
167.03479	0.4
179.03496	1.7
184.78642	0.2
193.05055	0.6
212.42259	0.2
223.06146	0.4
321.17126	0.4
349.20346	0.3
381.12518	0.6
381.22867	29.8
382.23230	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	381.207
Annotation	Ammoresinol
Peak:m/z	Relative Intensity
57.03445	0.5
59.01383	0.4
60.93471	0.3
61.98828	1.1
65.00330	1.3
69.63371	1.5
69.63798	1.2
71.04999	0.4
78.95911	0.8
79.05531	0.6
81.03465	1.2
83.01393	0.6
93.03481	0.5
95.05014	0.4
107.05055	0.8
109.06588	1.1
119.05009	0.6
121.06599	0.8
123.04539	1.3
127.04074	0.5
129.07088	0.8
131.05051	1.7
133.21082	0.3
135.04529	0.6
135.08185	0.5
145.06612	0.7
147.08171	0.8
148.92946	0.4
151.04050	2.0
153.05594	1.3
159.04572	0.5
161.02380	0.4
163.04039	0.8
164.04825	0.5
171.04457	0.5
171.08168	1.7
173.06082	0.7
177.01913	0.5
178.02742	0.4
178.06377	0.7
179.03415	0.6
180.04300	0.4
187.07607	0.6
189.05565	0.7
190.02715	1.0
191.03532	0.5
203.03561	1.1
205.05074	1.2
205.15875	0.5
207.13966	0.9
213.05608	0.5
215.07152	1.1
217.05077	0.5
227.03529	0.4
241.05106	0.5
245.08206	0.5
255.06610	0.4
259.17075	1.0
295.20697	1.2
297.18665	0.6
303.16095	0.7
309.22284	0.8
311.13010	0.5
313.21793	0.5
319.20850	0.8
335.20264	0.6
337.21744	11.2
338.22095	1.7
352.16739	0.7
353.21082	0.5
363.19684	0.7
381.20724	100.0
382.21045	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	381.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.6
63.02402	1.1
65.00336	0.9
69.93431	1.4
83.01381	0.5
88.22005	0.4
95.01386	0.7
98.19962	0.7
107.01388	1.4
112.97680	0.4
121.02999	0.4
123.00973	0.4
124.01679	0.6
125.02440	0.6
136.01733	0.4
150.88219	0.4
151.00375	3.1
152.01143	1.5
161.02475	2.6
175.04022	0.5
176.01112	1.4
177.01920	1.6
189.01962	5.5
190.02731	33.9
191.03090	2.6
199.20970	0.4
203.03519	40.6
204.04147	4.9
215.07095	1.6
217.05028	2.2
231.06639	4.8
232.07307	2.9
245.08215	1.4
273.11301	0.9
285.10956	0.5
309.11304	0.6
312.13669	1.7
323.13000	0.5
325.14584	0.8
337.21686	0.6
381.20724	100.0
382.21082	16.7
382.26025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2069
Annotation	Ammoresinol
Peak:m/z	Relative Intensity
51.27713	0.3
57.03447	0.6
58.64420	0.3
59.01382	0.7
61.36022	0.3
62.03547	0.3
65.00314	0.9
68.99826	0.5
70.00076	1.6
78.95908	5.4
81.03440	0.7
83.01402	0.5
83.05025	0.5
91.05520	0.4
93.07104	0.4
95.05038	0.7
98.19875	0.4
103.05554	0.4
105.07162	0.6
107.05003	0.5
111.00887	0.4
117.03486	0.5
119.05030	1.2
121.06602	0.8
123.08187	0.4
128.82686	0.3
129.07123	0.7
131.05046	3.2
133.03043	0.3
133.06613	0.5
135.04512	0.3
135.08093	0.5
137.02335	0.3
139.04045	0.7
143.08661	0.4
145.06558	0.5
147.08208	0.5
152.01180	0.3
155.05005	0.4
156.05815	0.5
157.06601	0.4
159.04526	0.3
161.06035	0.5
161.09712	0.5
163.03970	0.7
163.07681	0.3
171.04477	0.8
171.08159	2.6
173.06119	0.8
175.00493	0.3
175.04050	0.3
177.01970	0.8
177.05568	0.6
183.02950	0.4
183.13925	0.4
189.05557	0.8
190.02699	0.6
199.04048	0.7
201.01929	0.4
203.03496	1.0
203.07242	0.5
204.04387	0.4
204.23868	0.3
205.15857	0.4
207.13905	2.0
213.05511	0.3
215.07198	1.8
217.05020	0.6
227.03465	0.9
229.05214	0.6
242.05754	0.5
243.06706	0.7
255.06589	0.5
259.16913	0.7
281.19003	0.4
295.20660	1.6
297.18616	0.9
301.00159	0.6
309.22455	0.5
319.20673	0.7
335.20245	0.9
337.17722	0.6
337.21719	11.4
338.22079	1.7
352.16782	0.8
353.21024	0.5
363.19769	1.3
379.19095	0.4
381.20709	100.0
382.21066	17.4
382.25201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
65.00319	0.7
67.01893	0.7
69.72800	3.1
79.95702	0.9
83.01376	0.8
83.88194	0.4
95.05050	1.0
96.96018	6.4
98.20614	0.8
100.57977	0.5
123.04523	1.5
123.28056	0.5
131.04999	2.1
139.91891	0.5
145.06723	0.6
155.04961	0.6
157.06412	0.5
159.08072	0.7
163.04018	1.0
171.08116	1.7
173.06114	0.8
190.02782	0.9
191.03452	0.6
202.02618	0.5
203.03482	1.3
205.93416	0.5
207.13872	1.8
215.07053	1.5
217.04877	0.8
229.04921	0.5
246.40517	0.5
295.20636	1.8
335.20288	0.9
337.21750	13.1
338.22137	2.1
351.15793	0.5
365.17514	0.8
381.20578	100.0
382.20874	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	381.1916
Annotation	Viguilenin
Peak:m/z	Relative Intensity
50.62011	0.5
51.35707	0.5
55.01873	1.4
57.03450	1.6
58.00590	1.9
59.01381	19.1
69.03465	2.0
69.46115	1.1
69.46533	2.7
70.45535	0.5
71.01379	20.0
72.01709	0.5
72.99313	1.1
73.02943	6.8
75.00894	0.6
79.62538	0.4
79.95747	0.8
83.01376	4.0
85.02944	8.6
85.03445	0.6
87.00883	1.5
89.02443	10.3
95.01413	0.9
96.96014	1.8
97.02951	1.0
98.54909	0.6
99.00884	2.9
101.02443	19.4
101.06081	13.7
102.02817	0.5
111.00897	1.5
113.02445	5.5
113.06053	0.9
115.03989	0.5
115.07654	4.3
121.02958	0.5
125.02464	1.4
129.01953	0.6
131.03508	6.2
131.07137	1.1
135.04555	2.5
135.06673	1.5
135.35777	0.5
137.09724	3.0
139.03984	0.6
143.03482	1.0
143.07147	0.7
148.14830	0.5
149.04565	1.9
159.03049	0.9
161.04567	4.2
183.75198	0.5
191.14468	0.7
233.06683	1.5
245.19232	1.3
249.13420	24.5
250.13795	1.8
255.17668	0.7
257.15359	0.7
263.20255	0.6
273.18628	1.4
275.20227	0.9
279.10895	1.6
291.19687	0.7
300.99857	0.8
301.07138	0.7
309.20926	0.7
319.19095	0.9
335.18753	0.6
337.20200	35.0
338.20599	5.2
381.02991	1.6
381.19153	100.0
382.03076	0.9
382.19489	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.2
56.96474	1.1
57.03438	5.0
59.01384	46.5
69.03468	1.3
69.44853	9.6
71.01386	64.2
72.99326	2.8
73.02953	34.0
75.00890	2.5
79.95749	1.7
80.96526	2.3
81.03497	1.7
81.42522	1.1
83.01395	14.5
85.02956	34.3
85.06573	1.6
86.00081	2.2
87.00878	6.0
89.02451	15.2
95.01398	2.3
96.96016	6.2
97.02953	2.3
99.00895	12.1
99.04514	2.1
101.02452	67.7
101.06086	87.3
102.02810	1.8
102.06426	3.5
111.00878	2.7
112.98811	4.5
113.02454	24.9
115.07663	39.8
116.08002	1.7
117.03512	1.4
117.67063	1.1
119.03505	2.6
124.01661	3.5
125.02480	6.8
127.88696	1.1
129.01965	2.5
131.03516	3.8
131.07117	1.5
134.30516	1.0
135.04520	9.1
135.06654	7.3
139.00261	1.4
139.04031	11.7
140.04306	1.5
143.03487	3.4
143.07149	6.2
145.02940	2.2
146.89276	1.1
149.04590	1.3
159.02988	2.9
159.06618	1.7
161.04570	23.0
165.01926	2.1
201.07722	2.0
203.09282	2.0
215.00151	8.0
233.06721	2.9
249.13445	100.0
250.13751	7.6
273.07626	4.0
279.10861	8.7
297.12042	1.6
301.00064	8.3
301.07245	6.3
302.07385	1.5
381.02917	6.8
381.17688	86.9
382.18127	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.1
57.03446	4.3
58.00589	3.0
59.01382	42.2
69.03477	1.7
69.41415	3.4
69.41843	3.2
71.01388	54.5
72.01723	0.8
72.99311	3.2
73.02953	28.8
75.00880	2.1
79.95743	1.4
80.96533	0.8
81.03465	2.0
83.01388	12.2
85.02955	32.2
85.06615	1.7
86.03269	1.0
87.00889	6.2
87.08141	1.2
89.02448	13.3
95.01407	4.2
96.96004	4.9
97.02954	2.8
98.20645	1.5
99.00885	9.9
99.04507	1.4
101.02452	62.9
101.06087	100.0
102.02785	1.9
102.06426	3.1
103.04006	1.4
111.00867	1.3
112.98836	2.3
113.02455	23.3
113.06078	1.7
114.02750	1.0
115.04005	1.9
115.07658	45.5
116.07973	0.9
117.05597	1.3
119.03506	2.3
124.01660	2.8
125.02443	4.2
126.78854	0.7
129.01970	1.3
131.03500	3.2
131.07166	1.1
135.04524	6.2
135.06651	10.1
139.04007	6.8
143.03491	3.4
143.07111	5.2
145.03041	1.6
159.02969	2.8
159.06590	1.5
161.04567	17.8
165.01938	2.1
173.08237	0.9
191.09251	1.4
201.07761	1.2
203.07449	0.7
203.09273	3.2
210.15425	0.7
215.00108	4.3
217.24182	0.7
233.06638	2.3
245.10255	1.1
249.13446	90.1
250.13811	5.9
273.07700	2.8
279.10828	9.5
293.08704	0.9
293.12296	1.3
294.70349	0.9
297.11981	1.9
300.99982	3.7
301.07083	4.8
302.07883	0.8
336.84537	0.8
374.52142	0.7
381.02896	4.0
381.17664	70.4
382.17950	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	381.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68219	1.9
57.03456	4.3
59.01384	100.0
60.01710	2.3
60.15449	2.1
61.04138	1.8
71.05018	5.7
77.76012	1.8
78.95908	51.5
79.01914	5.5
79.24611	1.7
81.03432	2.7
85.02959	85.9
87.00904	4.6
95.05029	13.7
99.04540	10.1
123.04535	41.2
124.01643	2.8
124.04824	3.2
125.02460	21.5
132.62010	2.2
135.08240	2.0
138.03259	7.4
139.04037	4.0
141.05577	6.7
151.00380	8.2
152.15387	1.8
166.02730	6.0
167.03479	5.7
169.01447	2.2
207.13950	2.0
217.12268	3.2
221.11880	4.1
233.11778	2.1
237.11337	6.5
249.14957	2.3
259.13461	16.5
261.11307	57.0
262.11731	6.7
276.64056	1.9
277.14441	9.2
281.13953	8.6
300.99814	3.2
303.12527	4.4
319.11798	2.8
319.15521	38.2
320.15845	4.4
321.13449	83.3
322.13971	9.5
322.17056	2.0
363.14551	8.7
364.15289	11.4
381.12296	4.5
381.23215	2.9
387.38666	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.2
56.96474	1.1
57.03438	5.0
59.01384	46.5
69.03468	1.3
69.44853	9.6
71.01386	64.2
72.99326	2.8
73.02953	34.0
75.00890	2.5
79.95749	1.7
80.96526	2.3
81.03497	1.7
81.42522	1.1
83.01395	14.5
85.02956	34.3
85.06573	1.6
86.00081	2.2
87.00878	6.0
89.02451	15.2
95.01398	2.3
96.96016	6.2
97.02953	2.3
99.00895	12.1
99.04514	2.1
101.02452	67.7
101.06086	87.3
102.02810	1.8
102.06426	3.5
111.00878	2.7
112.98811	4.5
113.02454	24.9
115.07663	39.8
116.08002	1.7
117.03512	1.4
117.67063	1.1
119.03505	2.6
124.01661	3.5
125.02480	6.8
127.88696	1.1
129.01965	2.5
131.03516	3.8
131.07117	1.5
134.30516	1.0
135.04520	9.1
135.06654	7.3
139.00261	1.4
139.04031	11.7
140.04306	1.5
143.03487	3.4
143.07149	6.2
145.02940	2.2
146.89276	1.1
149.04590	1.3
159.02988	2.9
159.06618	1.7
161.04570	23.0
165.01926	2.1
201.07722	2.0
203.09282	2.0
215.00151	8.0
233.06721	2.9
249.13445	100.0
250.13751	7.6
273.07626	4.0
279.10861	8.7
297.12042	1.6
301.00064	8.3
301.07245	6.3
302.07385	1.5
381.02917	6.8
381.17688	86.9
382.18127	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	381.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39863	0.3
58.83921	0.3
61.06349	0.3
61.30597	0.3
63.74902	0.3
65.00331	5.0
69.26717	2.4
69.27148	1.2
69.44132	0.4
79.95760	0.9
80.96516	0.4
89.00318	1.6
91.01909	1.0
92.61515	0.3
97.02960	4.1
99.64152	0.3
121.02937	2.6
134.03725	0.9
135.04535	100.0
136.04861	4.5
139.04007	0.4
146.62450	0.3
149.99609	1.2
161.02434	1.7
165.01941	30.8
166.02277	1.1
173.18719	0.4
183.02956	1.8
214.66913	0.4
215.00200	13.1
216.00537	0.6
223.42329	0.4
245.19781	0.3
283.06277	0.4
301.07187	26.9
302.07523	2.3
381.02859	31.7
382.03214	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	381.1237
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
59.01366	0.7
61.98838	0.7
62.96442	0.2
68.35332	0.2
69.45160	1.0
69.45584	0.8
78.95909	100.0
88.73746	0.2
95.05077	0.2
96.96021	0.3
106.49624	0.2
112.91796	0.3
125.02438	0.5
135.04532	0.6
139.03987	1.3
145.16969	0.3
153.63245	0.2
158.92551	3.4
187.53703	0.2
187.72012	0.2
300.99869	0.9
332.98227	0.2
335.91522	0.3
363.11334	1.7
363.21896	0.4
370.07849	0.3
381.12347	7.9
381.19107	1.1
381.23120	0.3
382.12753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.2
60.93915	1.0
60.99240	1.0
68.58862	0.9
69.96230	2.7
69.96648	2.7
71.01382	4.3
71.05019	1.5
72.00903	2.7
82.02965	1.2
85.02962	1.1
87.00847	1.5
89.02467	3.3
92.05042	2.8
96.96030	1.8
100.04062	1.6
101.02445	2.2
102.04151	1.1
103.04018	1.4
111.56322	0.9
113.02437	1.4
113.03163	1.2
116.05057	3.5
117.04826	1.3
117.05546	6.6
120.99648	2.0
125.02467	1.6
131.01724	2.9
131.03749	3.5
132.04549	9.4
134.06070	1.0
135.04543	5.3
140.23886	1.0
142.06609	1.8
143.06097	1.6
144.04538	8.3
154.06593	1.4
155.06165	1.3
156.06938	5.9
157.05316	1.0
157.07736	6.9
158.04863	1.7
158.06085	3.0
159.05576	2.7
160.04050	11.1
165.01962	1.1
167.06166	10.3
169.07719	4.4
169.45509	1.1
170.06099	1.3
171.09274	9.6
172.04041	1.5
173.07185	10.0
176.07173	1.2
179.06200	1.7
181.07715	60.1
182.06221	1.4
182.08020	4.2
187.08795	3.5
188.05913	1.6
197.07193	5.0
199.08775	34.3
200.09053	3.4
201.06589	5.3
211.08786	1.2
215.00243	1.3
215.08302	1.0
217.09845	4.0
219.07735	1.2
226.05135	3.8
243.07739	28.1
244.08089	2.4
261.08792	100.0
262.09174	8.4
263.07700	3.7
273.08871	2.8
309.48358	1.2
319.13013	1.2
363.11987	3.2
381.02612	2.9
381.13147	20.0
382.13336	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90549	0.5
52.02828	0.6
54.98586	0.5
55.01886	0.6
55.97503	0.5
57.03445	1.2
57.67931	0.4
58.79441	0.6
58.99622	1.2
59.01387	9.7
60.08883	0.5
61.98832	1.6
63.15276	0.5
67.01905	2.3
68.64308	0.5
68.99816	3.7
69.03448	2.5
71.01389	12.9
71.05026	26.8
71.37460	1.3
72.99323	1.6
73.02955	1.4
75.00872	2.0
78.38347	0.4
79.95753	1.0
83.01399	1.8
84.86688	0.5
85.02965	8.3
87.00890	3.2
89.02447	4.5
91.04014	2.2
93.03485	0.6
95.01382	3.5
96.96028	1.1
97.02969	1.7
99.00896	0.7
99.04532	1.1
101.02444	2.2
103.04034	4.5
111.00900	1.4
112.01653	0.7
113.02458	7.6
117.05587	100.0
118.05922	4.4
119.03516	1.6
120.99630	1.2
121.02962	0.7
125.02451	1.1
129.01929	0.9
131.01753	5.1
132.04584	0.9
133.05092	2.6
135.04533	9.9
139.00374	1.2
146.08238	0.7
157.01442	0.7
158.06102	4.9
165.01930	2.7
166.99831	0.5
168.00629	0.7
169.01413	0.8
202.05072	1.4
215.00224	1.4
225.21661	0.5
231.05006	1.7
249.06181	0.9
263.07727	51.3
264.08044	3.0
265.09290	1.1
276.41360	0.6
300.99869	1.0
301.06970	2.2
381.03012	3.8
381.13916	24.8
382.11072	1.9
382.15100	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	380.1563
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.86353	0.9
54.16681	0.9
55.42540	0.9
59.01383	21.1
61.98826	2.1
67.71645	0.9
69.30536	9.1
71.01389	37.5
71.05018	7.0
72.99318	2.5
73.01158	1.0
73.02938	3.2
75.00887	2.2
78.21132	1.0
79.95732	1.4
83.01383	1.4
85.02968	3.9
87.00868	2.3
88.04056	3.4
89.02446	9.0
95.01413	1.1
99.04539	3.0
101.02451	12.3
103.04037	4.4
113.02470	5.1
114.80829	1.0
116.07191	1.2
117.05574	7.4
119.03524	3.6
120.99657	11.9
125.02409	2.5
128.07147	1.3
129.05586	2.8
131.01706	5.3
133.05110	2.0
135.04517	9.6
146.08237	56.4
147.08653	1.7
149.99600	2.3
150.43680	0.9
161.04546	1.8
165.01930	2.8
168.00624	3.9
169.01456	1.1
170.25882	1.0
172.27361	1.0
200.09267	2.5
249.06192	1.6
263.75339	1.0
283.04599	1.0
288.99683	1.1
301.00235	1.3
301.05597	10.2
308.13492	6.5
362.14493	2.1
380.01636	2.7
380.15683	100.0
381.02667	7.9
381.15765	8.6
393.84439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9923
Annotation	Quercetin 7-O-sulfate
Peak:m/z	Relative Intensity
51.52767	0.4
59.01384	1.4
59.23108	0.4
63.02411	3.1
65.00327	6.7
69.47803	0.6
69.48210	2.2
71.01386	0.6
78.94989	0.4
78.95938	0.5
83.01400	3.9
93.03488	1.8
96.96016	5.8
107.01401	14.3
109.02955	0.7
117.03478	1.2
118.84028	0.3
119.04986	0.5
121.02967	13.5
121.03847	0.7
122.03278	0.4
124.01706	0.4
125.02451	1.0
135.04547	1.9
135.41927	0.4
139.04065	0.8
145.02959	5.2
146.03328	0.4
149.02429	1.7
151.00381	51.2
152.00706	2.2
161.02452	0.6
163.00394	0.8
163.04010	0.8
164.01167	0.8
165.01924	0.7
169.01398	2.7
175.33881	0.4
178.99869	21.5
180.00172	1.3
187.04007	0.4
193.01402	1.3
201.05576	0.4
211.04099	0.5
219.60126	0.4
229.05003	1.3
245.04514	1.1
257.04480	0.5
273.04169	2.6
301.03531	100.0
301.20248	1.2
302.00439	0.8
302.03873	10.6
338.97137	0.4
380.99176	19.2
381.15622	6.6
381.22922	0.5
381.99374	2.2
382.16162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2491
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
55.01872	0.8
57.03445	2.8
58.02718	0.7
59.01380	3.6
69.03453	1.0
69.80089	1.2
69.80505	2.4
71.01387	1.7
71.05024	5.8
73.02937	1.3
81.03471	3.2
83.01401	1.9
83.05035	6.6
84.42970	0.6
85.02950	6.0
87.00864	2.0
95.01392	1.1
95.05019	1.1
97.02941	1.6
97.06612	1.3
98.19939	0.9
99.04524	12.6
101.02467	1.5
107.05023	1.8
109.02963	6.4
110.03760	0.9
111.04522	2.9
113.02441	3.6
118.43484	0.6
123.01634	0.6
123.04498	2.7
125.02429	2.5
125.06078	2.0
127.04018	24.0
128.04379	1.0
137.02473	2.3
144.81348	0.7
151.04007	3.7
151.42044	0.7
152.04849	3.5
153.05542	2.3
153.43469	0.7
154.05853	0.8
155.06050	0.7
161.04568	0.7
162.76306	0.7
164.04837	0.8
165.05536	0.8
167.03564	4.7
169.05060	2.7
177.01939	0.8
196.06844	0.7
197.07228	0.7
225.22273	1.3
227.20218	1.5
235.08214	1.1
235.20647	2.3
237.22279	1.0
239.23787	0.8
247.71117	0.6
251.20174	13.8
251.22838	1.0
251.23897	1.0
252.20518	1.8
253.21664	1.1
261.22061	0.7
263.20200	0.8
265.25299	1.0
266.17087	0.6
271.06342	0.7
279.19937	0.7
279.23138	1.2
293.24933	3.5
317.24786	1.1
319.22800	11.7
320.23407	5.9
321.20615	1.5
321.24152	1.0
323.22311	4.9
333.24384	1.6
335.22314	1.3
335.25946	5.3
336.26425	1.3
337.23865	5.5
347.67545	0.6
361.23782	3.9
379.24881	100.0
380.25171	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	381.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34650	0.3
52.26511	0.2
59.01379	1.2
60.02406	0.2
60.29159	0.2
61.98857	0.5
65.00326	5.8
69.81385	1.6
71.01391	0.9
71.05022	0.8
72.99321	0.4
73.02954	0.3
74.02489	0.5
74.70349	0.2
77.70137	0.3
79.95731	1.4
80.54844	0.2
80.96520	0.3
85.02974	0.7
85.06649	0.2
89.00333	1.2
89.02460	0.7
91.01903	1.0
96.96033	1.0
97.02957	4.6
101.02460	0.7
113.02465	0.4
115.07623	0.3
117.03482	0.3
117.05590	4.1
121.02958	2.2
125.02459	0.5
126.03784	0.3
131.07150	0.6
133.02980	0.3
134.03755	1.0
135.04532	100.0
136.04854	5.1
139.03981	0.7
141.06679	0.8
143.04549	0.3
149.99561	1.7
161.02444	2.0
165.01939	28.3
166.02231	1.3
183.03012	2.0
185.05643	1.1
207.06645	0.3
215.00208	11.8
216.00522	0.7
235.11890	0.8
275.90225	0.3
283.05994	0.3
301.07193	27.1
302.07455	2.9
303.07800	0.4
333.12433	0.5
337.46875	0.3
381.02856	37.3
382.03214	4.7
382.10596	0.6
395.05341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03446	2.3
59.12810	0.5
66.84829	0.6
70.02923	2.0
79.01893	2.4
81.03460	3.0
83.01405	0.6
83.05007	0.7
85.06594	10.4
97.02972	3.2
97.06631	0.8
98.50635	0.4
107.05060	0.8
109.06595	9.6
110.06973	0.5
111.04522	14.4
112.04868	0.6
121.06585	0.8
125.02449	1.6
135.04518	1.9
135.08217	1.2
136.05281	0.9
137.05992	0.6
149.05972	0.6
151.03976	1.1
153.05582	88.3
154.05905	4.7
161.09734	1.4
163.07643	1.0
165.05556	3.4
169.15997	2.4
179.03490	1.7
179.07130	1.2
195.17566	0.9
199.51973	0.5
205.08646	0.6
317.25061	0.8
335.25992	1.3
361.23932	1.2
379.24899	100.0
380.25229	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	379.2492
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
57.03438	1.3
59.01368	1.8
65.50657	0.4
67.01885	0.7
69.03444	0.6
69.81030	2.0
71.05023	4.1
71.53020	0.4
73.91319	0.4
81.03436	0.6
83.05029	1.9
83.99213	0.4
85.02965	2.7
95.01356	0.5
97.06615	0.7
99.04528	3.6
107.05022	1.5
109.02956	5.3
111.04544	1.9
113.02461	0.4
122.03736	0.5
123.04544	2.7
125.06106	2.2
127.04023	8.0
133.02905	0.4
135.00882	0.7
135.04536	0.6
136.05356	0.7
137.02490	0.7
148.77112	0.4
149.02464	0.9
150.03195	0.5
151.04002	4.3
152.04819	1.9
152.95995	0.4
153.01898	0.8
153.05580	2.2
161.06155	0.5
163.03970	0.5
164.04768	1.2
167.03464	1.0
169.05075	0.5
169.40172	0.4
177.01917	1.2
178.02751	0.9
178.06360	0.6
182.02365	0.9
191.03488	0.8
196.03809	0.6
206.05743	0.4
225.22215	1.8
227.20169	2.0
235.20688	2.1
236.21025	0.5
251.20193	5.8
251.22893	0.5
251.23776	0.5
252.20436	0.5
263.23880	0.7
275.23798	0.7
277.21686	1.3
279.23218	0.7
291.23380	1.0
291.26639	0.7
293.24756	0.6
301.21686	0.7
306.56134	0.5
315.23621	0.5
317.24908	2.8
318.25272	0.6
319.22763	8.1
320.23413	2.7
323.22272	6.0
333.24329	7.8
334.24683	1.3
335.25891	2.9
337.23752	2.4
343.22632	0.5
361.23853	32.3
362.24194	5.4
364.22522	3.3
365.22998	1.0
379.24887	100.0
380.25211	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	379.2493
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
58.93357	0.8
59.01379	2.1
59.44041	0.7
65.51832	0.7
70.76239	1.0
70.76573	1.7
71.05032	4.3
83.05037	1.9
85.02966	2.2
86.27573	0.7
94.19910	0.7
97.06609	1.0
97.44233	0.8
97.45194	0.9
98.33594	0.7
99.04513	2.8
104.37237	0.7
107.05051	1.4
109.02968	6.2
111.04517	2.2
119.20456	0.8
123.04517	1.8
125.02395	1.1
125.06073	2.3
127.04017	6.7
135.00882	0.8
137.02393	1.4
151.04013	3.5
152.04779	1.4
153.05557	1.6
164.04778	0.8
167.03543	1.6
177.01895	1.4
178.02777	1.2
182.02272	1.5
193.83878	0.7
225.22261	1.9
227.20163	1.4
235.20755	1.9
251.20110	4.7
263.23813	1.3
268.99030	0.8
279.23444	1.4
291.23367	1.4
317.24844	2.7
318.24973	1.0
319.22827	7.3
320.23569	1.2
323.22269	6.5
324.22827	1.2
333.24313	7.5
334.24835	1.0
335.25958	2.6
337.23895	1.4
361.23859	29.1
362.24252	4.1
364.22540	3.4
379.24896	100.0
380.25232	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70069	0.4
55.01883	0.6
56.49958	0.4
57.03454	0.7
59.01381	1.0
65.00317	0.7
68.10107	0.4
70.15575	0.9
70.15971	0.6
71.05027	11.3
71.05400	0.8
77.04019	0.4
79.01894	2.1
81.03455	0.9
83.01399	1.4
83.05032	0.7
93.03479	1.1
95.01393	0.4
95.05035	9.7
97.02958	5.3
107.05021	0.8
109.02998	0.6
109.06581	0.8
111.04567	0.6
121.02956	1.4
122.03719	1.6
123.08187	1.1
124.01675	9.2
125.02492	0.6
125.06080	0.5
135.04558	0.6
137.02435	0.5
137.06091	16.7
138.06441	0.5
139.04021	100.0
140.04355	4.5
141.12891	1.8
149.06107	1.9
151.04013	1.0
152.01178	0.6
155.14430	1.0
163.04071	0.6
165.01961	3.1
165.05550	1.8
165.09203	2.6
169.12421	0.5
178.02692	0.6
179.03479	0.5
181.05077	30.8
182.05457	2.1
183.13879	0.4
185.15482	1.0
191.03391	0.4
191.07135	0.6
193.05075	15.2
194.05424	1.1
207.06596	0.4
223.06104	1.9
236.26837	0.4
335.25845	0.5
336.32373	0.4
343.22684	0.5
361.20212	3.0
361.23993	0.9
362.20328	0.6
379.21268	76.3
380.21600	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	379.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.6
66.32184	0.6
69.55914	3.4
69.56320	1.2
82.94006	0.5
94.91622	0.6
95.01348	0.7
96.46809	0.6
97.02980	0.9
105.03460	1.3
111.04491	0.6
124.01670	32.5
125.01987	0.5
135.04547	0.8
137.06090	2.4
139.04019	100.0
140.04329	4.5
141.12868	1.5
148.01692	0.7
150.03267	0.9
151.00348	1.3
152.01237	1.2
166.02708	5.0
177.01936	0.8
178.02632	1.3
179.03468	3.4
181.05078	29.9
182.05357	1.7
185.15552	1.2
193.05090	7.6
238.37549	0.6
269.37833	0.5
315.21210	0.7
379.21268	40.0
380.21381	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	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.7
59.01366	1.1
65.00342	1.6
69.03457	0.5
69.13535	0.4
71.61690	0.3
74.17104	0.3
81.02978	0.7
81.03464	11.7
83.01384	2.4
83.05037	1.8
92.27077	0.4
95.01421	0.6
97.02982	0.4
97.06599	0.5
97.80619	0.3
106.04243	0.3
107.01383	1.1
109.06604	0.4
113.09734	2.3
121.03002	0.7
122.03730	3.4
123.04548	0.6
124.01647	0.4
125.02451	9.4
127.11273	0.9
136.05305	0.4
139.03996	1.2
139.11292	0.5
150.88019	0.3
150.93544	0.3
151.00412	2.1
162.03253	0.6
165.01920	0.5
167.10516	0.3
182.05652	0.3
199.83351	0.4
253.21741	0.7
291.23410	0.9
293.24881	2.7
295.22778	1.5
305.24960	0.4
317.24908	1.7
335.25922	10.4
336.26315	1.9
361.23734	0.6
379.24899	100.0
380.25247	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	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
61.98827	0.8
65.00327	1.6
69.03463	0.5
69.38457	1.3
69.38883	1.2
75.36591	0.3
75.83028	0.3
81.03463	15.3
82.03793	0.4
82.90558	0.3
83.01388	2.1
83.05029	1.2
84.63808	0.3
97.02965	0.3
97.06588	1.1
98.19910	0.7
107.01392	1.1
107.05046	0.4
109.06589	0.8
121.03016	0.5
122.03737	2.4
123.04514	0.6
125.02453	9.5
136.05319	0.4
139.11269	0.4
141.12856	1.3
149.09686	0.3
151.00403	1.8
151.11285	0.3
155.14458	1.1
168.04257	0.5
175.11263	0.8
183.24373	0.3
187.88995	0.3
193.56021	0.3
208.55632	0.3
209.99829	0.3
217.61313	0.3
253.21750	0.8
267.23080	0.4
293.24884	2.5
295.22845	1.7
317.24911	1.1
333.24359	0.7
335.21896	0.5
335.25906	10.1
336.26218	1.4
361.23813	0.7
379.24896	100.0
380.25247	15.6
398.19507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2128
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
51.62402	0.4
53.71992	0.4
55.01870	1.1
57.03447	1.4
59.01382	5.7
61.98851	0.9
70.06481	0.4
70.34196	0.7
70.34583	1.0
73.02963	0.6
79.01890	2.7
81.03440	0.6
85.02950	0.5
85.06593	6.7
91.05566	0.5
96.96003	0.6
97.02956	2.3
107.05036	0.8
108.02369	0.5
109.02966	0.5
109.06599	9.4
110.06901	0.6
111.04525	8.2
113.32500	0.4
121.73616	0.5
123.04540	0.6
124.01679	0.6
125.02432	1.3
127.60232	0.5
135.04532	2.8
136.05305	0.8
138.03218	0.5
139.04031	1.6
151.04002	0.8
152.03296	0.4
153.05585	60.3
154.05904	2.2
162.89336	1.5
179.03552	2.2
180.04323	1.0
193.05055	0.5
194.05936	0.5
207.13942	0.6
219.17519	3.1
225.98125	0.5
233.19087	0.9
275.20172	5.6
276.20474	0.9
279.19598	0.6
283.53000	0.4
301.18057	0.7
302.07895	0.5
317.21292	0.5
319.19040	2.9
361.20267	0.5
379.21274	100.0
380.21616	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	379.2126
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
52.69556	0.3
52.99252	0.3
53.57006	0.3
53.57692	0.3
57.03464	0.5
59.01395	0.9
63.02399	0.6
65.00327	1.2
71.05019	0.5
71.59887	0.3
78.38524	0.3
81.03447	0.6
85.02950	1.4
86.22013	0.3
95.01395	0.4
95.05044	1.1
96.96031	0.4
97.02959	1.3
109.02938	0.5
111.00885	0.4
121.02941	0.4
123.04540	0.7
124.01668	30.1
125.02564	2.9
128.01103	0.4
133.03008	0.4
137.02483	0.8
137.06152	0.3
139.04018	100.0
140.04359	4.1
141.05563	0.3
151.00381	1.2
152.01138	3.1
153.01851	0.6
153.05556	0.5
165.01917	2.9
165.05591	0.5
166.02666	0.7
167.03539	0.5
175.04079	0.4
177.01901	1.8
179.03488	0.9
181.05035	0.7
193.05037	0.9
205.04980	0.4
221.08205	1.8
237.59486	0.3
262.90222	0.3
278.80453	0.3
305.21213	0.4
317.17603	0.6
319.15536	1.7
335.25980	0.6
347.18652	0.4
379.21274	38.1
380.17343	0.3
380.21597	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26962	0.2
57.03457	0.3
58.00591	0.3
59.01385	6.3
61.58408	0.3
63.37751	0.2
69.54799	1.9
71.01389	4.9
71.05026	17.7
72.99318	0.4
73.02950	1.2
73.04828	0.3
75.00898	0.5
76.73138	0.3
83.01394	0.4
85.02952	1.0
87.00898	0.8
87.04489	0.7
89.02455	1.8
96.95997	0.4
97.02890	0.3
98.20641	0.5
99.00903	0.3
99.04527	8.6
101.02441	1.4
101.06058	1.8
103.04042	0.3
108.10580	0.3
109.50881	0.3
113.02475	1.6
113.06087	0.8
115.07661	0.3
117.05585	100.0
118.05912	3.0
119.03474	0.5
120.99670	0.4
131.07159	1.2
134.61903	0.3
140.33688	0.3
151.22351	0.3
159.06641	4.5
175.77597	0.3
189.07663	1.1
217.06793	0.3
261.07019	0.4
261.09787	7.3
262.10150	0.4
279.10825	1.6
379.16083	35.1
380.16425	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
58.00576	0.8
59.01384	47.1
63.34029	0.7
68.38502	0.7
69.03425	1.8
69.84461	4.2
71.01387	18.9
71.05024	9.0
72.99312	1.1
73.02538	1.5
73.02952	28.0
75.00876	0.9
79.95736	1.4
83.01389	11.0
85.02953	3.6
87.00884	1.9
87.04543	1.1
89.02453	5.8
96.96001	1.7
98.19968	1.5
99.04526	22.5
101.02454	21.4
101.06075	1.9
103.04026	0.9
113.02452	11.4
113.06037	0.8
114.41756	0.8
115.00349	1.6
117.05585	100.0
118.05917	3.0
119.03510	3.3
121.96188	0.8
123.11985	0.8
125.02483	0.9
131.03517	1.4
131.07094	1.0
137.09793	0.9
155.10757	2.1
159.06635	7.2
161.04529	2.0
171.10242	1.0
189.07727	1.5
217.10789	5.3
259.11636	1.1
261.09821	4.3
279.10886	12.4
279.13635	1.5
280.11108	1.1
300.62756	0.9
321.11896	25.4
322.12216	2.0
361.14914	1.3
379.16104	83.4
380.16452	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	379.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73516	0.7
63.02391	1.7
65.00323	1.3
75.52711	0.6
83.01369	0.8
92.06023	0.7
94.99287	0.6
96.38738	0.6
98.19920	1.8
98.81384	0.6
107.01389	1.9
124.01646	1.0
125.02443	1.6
132.89372	0.8
149.02383	1.1
151.00378	5.3
152.01120	1.3
161.02496	4.0
172.80403	0.7
175.04047	0.9
176.01158	3.2
177.01909	2.3
189.01981	5.9
190.02734	58.3
191.03247	5.0
203.03519	64.6
204.04050	8.1
215.07178	2.3
217.05075	3.9
229.05045	1.2
229.18353	0.8
231.06638	9.6
232.07169	2.2
245.08272	1.6
285.11563	1.2
299.24042	0.8
301.14249	1.0
309.11319	1.9
323.12918	2.5
324.13602	1.2
343.22821	3.5
349.14511	2.2
361.22845	0.8
377.17682	0.8
379.19168	100.0
380.19507	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95798	0.9
55.01871	2.5
57.03439	3.0
58.00585	2.7
59.01385	73.1
61.06816	0.9
61.34599	0.8
61.98845	0.8
69.03458	1.3
69.49610	0.9
69.50243	4.8
71.01389	52.6
71.05023	0.9
72.99314	5.0
73.02954	10.5
74.99097	1.3
75.00851	1.3
79.95754	4.6
81.03481	1.2
83.01402	5.6
83.05034	3.1
85.02956	18.3
87.00867	3.3
89.02454	50.2
90.02796	1.0
95.01383	5.1
96.96021	7.0
97.02937	1.5
99.00883	5.7
99.04582	1.3
101.02454	41.4
102.02822	1.2
103.03998	2.2
110.26862	0.8
111.00887	1.0
111.17858	0.9
113.01694	1.3
113.02463	20.3
115.04046	1.2
119.03513	15.5
119.04956	0.8
120.99630	1.0
123.04557	1.3
125.02460	2.7
130.07846	0.8
131.03503	7.0
135.04559	5.0
137.09738	7.3
143.03459	2.8
149.02460	0.8
149.04559	9.3
150.03145	0.9
150.97026	0.9
155.10789	22.1
156.11159	1.4
157.08669	1.8
159.03009	1.1
161.04596	9.9
163.03963	1.1
172.49130	0.9
174.05620	1.7
175.97855	4.6
177.05566	1.2
179.05603	3.9
181.08714	3.6
191.05602	2.2
192.04236	3.1
195.06676	1.0
199.09769	41.9
200.10109	2.8
217.10838	9.4
233.06696	1.8
247.11871	28.0
248.12244	1.7
253.36345	0.9
265.09283	6.1
275.01840	1.4
300.99777	1.1
319.13989	1.8
329.25598	0.9
331.11911	1.4
378.54388	1.8
379.16098	100.0
379.23767	3.9
380.10153	0.8
380.11325	1.0
380.16513	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.47611	1.2
52.54403	1.0
55.01873	3.8
57.03451	6.2
58.00596	3.5
59.01382	98.3
60.01710	2.6
65.82001	0.9
69.03474	1.4
70.50031	1.2
71.01384	100.0
71.18584	1.9
72.01722	2.0
72.99318	6.6
73.02950	26.8
74.99106	1.5
75.00880	1.5
79.95734	2.0
81.03440	1.0
83.01387	10.4
85.02956	32.8
87.00874	6.0
87.04506	2.1
89.02448	93.9
90.02766	1.8
93.03521	1.3
95.01381	4.4
96.96007	4.2
97.02941	3.9
99.00889	15.8
101.02446	68.0
101.06097	3.4
102.02740	1.0
110.88491	0.9
111.00899	5.9
113.02448	29.1
115.04019	1.3
117.05577	1.1
118.13808	1.1
119.03506	13.3
119.04920	1.1
120.99603	1.8
121.02964	1.4
122.28941	1.0
125.02473	9.6
130.60094	1.0
131.03506	31.7
131.04456	2.1
135.04526	1.7
143.03497	6.5
149.04559	42.7
150.03047	1.4
155.10730	1.6
159.02946	3.1
161.04568	22.9
166.02666	1.1
167.03418	1.3
169.01381	1.1
179.05620	5.4
191.05629	8.7
192.05943	1.2
199.09723	2.2
208.01212	1.0
215.03459	2.7
217.10855	1.6
233.06667	3.9
241.05107	1.4
243.02940	5.5
247.11876	42.7
248.12193	3.3
251.07756	1.6
258.05078	2.0
260.07132	1.1
265.09250	1.7
271.02472	2.5
273.07809	1.7
275.01978	1.3
301.07162	18.3
302.07474	2.3
316.09497	7.7
331.11850	18.5
332.12213	1.5
372.52139	1.0
379.01245	2.1
379.06073	1.6
379.16095	48.6
379.23358	2.1
380.16644	6.3
388.44559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07861	1.1
55.01879	1.9
56.05918	1.0
57.03434	1.9
58.00609	2.2
59.01381	55.5
59.49213	1.1
63.13093	1.1
63.65833	1.1
70.73853	3.0
71.01385	38.3
72.01747	1.1
72.99299	3.4
73.02945	10.4
79.23469	1.4
79.95718	2.3
83.01379	3.1
85.02962	9.1
87.00889	2.3
87.04545	1.8
89.02445	55.9
95.01405	2.2
96.96014	3.3
99.00883	10.4
101.02448	29.4
113.02460	12.5
119.03469	10.2
121.97468	1.3
123.00847	1.6
125.02436	3.7
131.03526	10.0
135.04543	2.9
143.03534	2.6
149.02443	4.4
149.04549	22.6
150.03235	1.5
151.00359	3.9
155.10834	1.2
157.03749	1.3
161.04541	5.3
164.04895	2.1
166.02733	6.0
166.87769	1.4
167.03468	2.7
179.05594	5.5
181.05089	2.8
191.05595	5.0
193.05101	1.7
199.03955	1.2
199.09782	4.1
215.03435	9.3
217.10776	3.1
225.01814	2.9
227.03532	2.5
229.05011	5.8
230.05757	4.0
233.06567	1.7
240.04243	5.2
241.05054	4.7
243.03020	16.0
244.03256	1.5
247.11896	9.9
251.07857	2.1
257.04584	2.9
258.05310	7.8
271.02557	9.6
272.02789	2.0
273.07751	5.7
286.04834	7.0
301.07166	90.3
302.07541	10.4
316.05814	2.2
316.09479	34.5
317.09967	3.1
331.11856	100.0
332.12177	11.9
379.16006	27.5
379.23343	2.3
380.16345	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	379.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.9
60.84354	2.1
67.04686	2.0
68.12511	2.0
79.01901	13.3
85.02947	2.7
91.05525	4.4
93.03439	7.6
96.96003	12.2
98.19812	4.5
111.04529	7.1
119.05042	58.0
120.05366	2.3
125.02421	7.3
135.04518	19.1
153.05595	3.0
156.36426	2.1
165.15358	1.8
179.02046	3.5
179.03506	44.1
179.80858	1.7
193.05051	3.2
195.59251	2.2
196.98584	1.8
197.04564	3.6
205.05042	6.6
299.09274	100.0
300.09564	11.2
349.50708	2.1
379.00375	3.6
379.04916	52.1
379.12878	2.5
379.17316	13.2
379.20700	2.9
379.21686	3.9
379.25229	3.0
380.05142	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	379.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94382	1.9
53.92785	2.4
57.03439	4.5
59.01381	31.9
60.24216	2.4
61.98829	17.0
62.48136	2.2
69.30209	17.9
69.30622	5.9
71.01383	33.1
72.99305	6.2
73.02959	4.3
73.32346	2.5
75.00874	21.4
76.32751	2.2
79.95740	2.7
81.82044	2.1
85.02961	28.1
85.06581	2.8
87.00888	8.2
89.02437	10.6
95.01402	4.7
96.19969	2.5
96.96001	4.3
99.00866	14.4
99.73382	2.4
101.02444	7.6
103.00363	2.9
103.04010	21.2
111.00923	3.5
113.02456	34.3
115.00398	2.4
117.01921	5.3
117.05554	4.7
120.99646	16.5
123.38474	2.4
129.01913	2.6
129.05592	77.6
129.06554	4.6
129.59966	2.4
130.05930	3.2
136.99120	2.2
146.08243	12.3
169.01363	2.3
175.02560	4.0
195.04497	3.0
217.10916	2.2
223.03902	3.1
247.02484	2.5
249.06161	38.5
251.03540	3.4
267.02744	3.8
267.07257	15.0
279.03079	4.7
335.01959	10.3
351.01343	6.6
379.00784	41.9
379.12399	100.0
380.01547	9.5
380.16324	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	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
59.01378	32.9
61.98811	5.6
64.38663	4.0
67.12106	4.3
70.02979	4.2
70.09779	7.7
70.10191	12.6
71.01379	30.2
72.99305	4.9
74.99076	7.0
75.71823	6.3
78.95896	9.7
79.95736	5.2
83.01397	8.7
84.00912	100.0
85.01036	5.6
85.02952	40.1
87.00886	19.1
89.02444	19.4
96.96001	5.1
96.96943	20.6
99.00883	10.7
99.04525	4.6
101.02443	23.5
103.03994	5.5
111.00889	8.8
111.04546	14.4
112.04097	7.3
112.98843	8.4
113.02440	10.9
114.01946	8.9
124.04036	7.1
125.02487	6.2
126.01922	9.0
127.04006	18.5
128.03535	20.5
129.01952	70.0
129.05582	10.6
134.65837	4.6
140.03539	4.6
145.01506	5.5
155.03519	6.9
161.04617	5.5
170.04579	6.6
173.02657	4.7
175.04494	5.4
178.99883	6.3
184.81548	4.4
191.03580	11.8
198.04097	57.0
201.06213	4.3
204.05109	7.9
212.05624	44.8
213.05826	5.3
216.45869	4.8
217.05614	8.7
217.51248	4.3
231.03146	7.5
233.04649	13.0
271.02621	5.6
275.01941	12.6
276.02301	9.6
289.03555	33.2
300.99838	7.2
319.05087	9.2
319.08777	49.7
332.09833	65.7
333.10226	6.1
360.09421	49.8
361.05533	7.3
361.09601	5.5
378.07162	17.0
378.10672	10.6
378.18008	27.5
379.06808	66.2
379.11478	7.0
379.17740	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	378.1229
Annotation	Fluotrimazole
Peak:m/z	Relative Intensity
55.90198	0.6
56.22033	0.7
59.01368	1.3
64.11758	0.8
71.01391	1.1
71.05024	1.4
72.00918	7.7
74.02480	22.0
79.95757	2.4
84.04536	1.2
86.02489	1.0
91.01179	0.7
96.96018	100.0
98.20633	2.4
101.02434	0.8
101.06115	0.8
104.03545	71.5
105.03873	1.6
109.03027	0.8
116.19247	0.7
164.10805	1.2
172.80737	0.9
268.15594	4.6
273.08124	0.9
291.09146	9.3
298.16608	31.5
299.16962	2.8
316.12146	1.9
351.01306	1.4
378.12296	39.9
379.01031	3.7
379.12616	4.3
387.91452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01373	1.6
61.98837	26.6
71.01414	1.5
81.03458	10.0
83.01389	2.5
83.05022	2.5
84.25966	1.5
98.30888	1.3
99.34206	1.4
107.01342	1.4
109.02981	2.1
109.06591	1.8
117.72398	1.3
122.03794	1.7
125.02454	12.6
125.06114	2.3
126.02788	2.3
127.11284	1.9
136.05247	1.5
137.02428	1.9
139.03987	1.7
142.21548	1.5
151.03995	2.4
154.05865	1.8
164.04791	2.8
165.01941	2.9
166.02216	2.4
167.03557	3.4
168.03860	2.9
175.36522	1.3
229.47623	1.4
283.07391	1.4
291.23236	2.4
293.24796	1.9
305.21439	1.3
317.21085	5.2
318.17834	4.8
334.24738	4.4
335.22235	5.7
335.25903	8.6
378.23694	41.3
378.30905	1.9
379.24899	100.0
383.93875	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	378.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58000	2.7
57.03466	3.8
57.07474	2.7
59.01377	5.3
61.98834	42.2
63.45448	3.1
63.76397	3.0
71.26536	2.7
71.61187	3.7
81.03484	16.3
81.39252	3.1
97.02953	2.7
107.94685	3.0
123.04507	3.1
125.02440	10.9
164.04774	5.0
165.01917	3.7
168.04089	4.3
237.82555	2.8
291.23090	4.4
317.21231	7.3
334.24524	6.8
335.22275	6.5
335.25885	9.4
378.23654	58.0
379.24918	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	378.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01382	1.5
59.36306	1.1
60.03368	0.9
61.98832	100.0
62.57037	1.0
69.58446	7.2
81.03439	2.4
83.05038	1.4
85.06612	1.2
88.80900	1.0
101.36029	1.0
109.06625	1.0
122.03731	1.0
125.02410	2.2
138.03157	1.2
153.05586	4.9
153.84473	1.2
212.02699	1.3
239.61467	1.1
239.82085	1.2
271.44812	1.1
335.25714	2.0
360.22116	1.3
378.23581	11.8
379.24969	26.5
386.11673	1.1
397.92679	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	378.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71954	1.5
51.03541	1.8
55.01873	2.7
57.03431	3.1
57.34888	1.4
61.98837	100.0
71.61769	2.3
72.78700	1.7
79.01862	1.8
81.03471	11.0
82.03816	1.8
83.01376	2.5
83.05038	1.8
85.06570	8.5
97.02967	4.5
109.02953	1.8
109.06593	6.3
111.04507	10.8
124.01782	1.5
125.02423	7.0
126.02790	2.5
127.04070	2.1
134.45857	1.6
135.04552	3.1
139.11305	2.5
140.11685	1.8
144.37721	1.8
153.05586	62.9
154.05873	2.9
155.15784	1.7
165.05571	2.5
240.42279	1.6
249.07771	1.9
262.55383	1.7
273.01309	1.6
291.89999	1.8
319.19156	1.8
334.24725	8.8
335.26038	2.7
378.23660	59.7
379.24887	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
59.01374	1.4
67.01911	0.6
69.03470	1.2
69.48363	4.3
71.05030	3.7
81.03468	10.1
83.01390	2.4
83.05033	4.2
85.02952	3.5
85.06593	0.6
95.01408	1.0
97.02945	0.8
97.06595	2.3
98.19867	0.8
99.04530	9.3
103.20821	0.4
107.05031	1.7
108.02199	0.7
109.02981	4.2
109.06600	0.5
110.03822	0.5
111.04552	3.0
113.02474	1.3
122.03751	0.9
123.04521	1.9
125.02469	5.1
125.06051	2.9
127.04027	13.6
135.04587	0.7
136.05304	1.1
137.02484	0.8
139.28525	0.5
151.04034	2.7
152.04776	2.9
153.05588	2.4
163.04007	0.6
164.04784	3.0
165.05534	1.5
167.03526	3.6
167.04684	0.6
167.07138	0.7
169.05093	1.9
170.81834	0.6
177.01973	0.6
178.06348	1.3
179.03552	0.7
191.03423	0.7
206.05846	0.7
207.06609	1.5
207.10078	0.7
219.17564	1.7
223.45734	0.5
225.18504	0.8
249.18614	6.0
250.19011	0.9
291.23248	2.6
293.21213	1.0
315.23492	1.0
317.21176	5.0
318.21954	3.0
319.18896	1.1
321.20749	2.3
333.24313	6.7
335.22299	3.8
359.22406	2.0
377.23343	100.0
378.23669	17.4
394.89124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68626	0.3
57.03452	8.7
65.00330	0.4
69.56746	1.7
70.82419	0.3
72.66568	0.3
81.03474	2.3
83.01396	11.5
105.03477	0.3
107.01384	0.7
121.02894	0.6
123.04537	1.6
125.02458	100.0
126.02796	3.7
149.02411	1.5
151.00357	0.9
167.03529	1.9
177.33522	0.2
251.20192	6.0
252.20549	0.6
293.08990	1.0
310.46863	0.2
345.20544	0.3
361.15259	0.8
377.23343	6.0
378.23740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
58.59781	0.6
59.01376	1.4
67.01882	0.9
71.05019	5.5
83.01421	1.0
83.05038	2.0
85.02964	2.6
94.20496	0.6
97.06549	0.9
98.20611	1.7
99.04539	3.8
107.05019	1.8
109.02965	5.3
111.04498	3.1
122.03714	1.2
123.04508	2.0
125.02444	0.8
125.06078	2.3
127.04028	7.2
135.04518	1.5
136.05336	1.0
137.02492	0.7
149.02428	1.7
149.06096	1.2
151.04013	4.5
152.04774	2.3
153.01836	0.9
153.05585	3.8
163.03979	3.0
164.04767	2.1
165.05562	1.4
167.03529	1.6
169.05113	1.0
177.01958	2.4
178.02759	1.9
178.06331	4.3
179.03336	0.7
181.05075	2.9
191.03563	1.6
196.03770	1.4
205.05089	0.7
206.05856	4.4
207.17485	0.8
209.04538	1.4
225.18578	1.2
229.14679	0.8
237.49852	0.6
249.18579	3.0
260.11203	0.6
315.23282	1.8
317.21323	4.7
318.21857	1.5
321.20703	6.0
331.22821	6.4
333.24423	2.9
335.22223	2.2
359.22281	27.8
360.22653	3.9
362.20975	2.0
377.23337	100.0
378.23679	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	377.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36850	0.8
57.03437	2.7
59.01365	1.2
71.05022	5.0
72.14672	0.7
80.96465	0.7
83.05029	1.8
85.02946	2.5
87.16218	0.7
87.18356	0.8
95.01366	0.7
97.06628	1.2
97.72196	0.7
99.04524	4.0
107.05013	1.8
109.02976	4.6
109.84476	0.7
111.04514	3.0
113.02438	0.9
119.05007	0.8
123.04488	2.3
125.06097	1.9
127.04016	6.6
135.04507	2.2
137.02409	1.3
147.60793	0.7
149.06091	1.5
151.03987	5.3
152.04736	2.6
153.05548	2.5
162.06810	0.8
163.03987	1.5
164.04752	2.3
167.03438	1.4
177.01913	2.8
177.05519	1.0
178.02670	1.4
178.06328	5.5
181.05080	1.2
191.03508	1.6
206.05821	4.4
207.17526	0.8
209.04443	1.1
225.18689	1.5
249.18633	3.9
299.19977	0.9
305.88739	0.7
315.23187	1.2
317.21204	3.6
318.21860	1.8
321.20728	4.8
322.20905	0.9
331.22693	5.4
333.24524	1.7
335.22305	2.0
359.22287	26.5
360.22656	5.2
362.21106	2.1
377.23312	100.0
378.23657	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	377.2337
Annotation	Previtexilactone
Peak:m/z	Relative Intensity
57.03453	14.0
58.03788	0.4
59.01373	0.8
61.98833	0.4
65.00334	13.7
70.17882	1.2
80.46892	0.3
81.03468	3.8
83.01397	7.8
83.05054	0.5
84.12517	0.3
85.02964	1.3
85.06565	0.3
90.82329	0.4
95.05013	0.4
113.09775	0.5
117.77258	0.3
122.03789	0.7
123.04534	1.8
124.01637	0.4
125.02457	100.0
126.02812	4.4
126.90746	0.3
135.04591	0.5
137.06134	0.3
139.04012	1.1
139.80145	0.3
143.29468	0.3
153.05594	2.3
153.12874	1.7
162.06653	0.4
165.05603	0.6
177.12859	2.8
179.07140	0.9
204.58049	0.4
219.13910	10.7
220.14282	1.2
224.53313	0.4
247.17094	0.9
328.22183	0.4
333.24371	1.4
335.22311	1.2
339.22070	0.3
346.04767	0.4
359.18704	0.3
377.19809	2.4
377.23389	41.8
378.19409	0.6
378.23752	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	377.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03234	0.3
57.03457	4.2
59.01402	0.4
65.00336	2.0
67.43052	0.3
69.03458	0.6
69.64267	0.9
69.64693	1.3
79.29689	0.3
81.03462	32.1
82.03797	1.0
83.01392	3.6
83.05033	1.1
83.17130	0.3
87.15156	0.3
95.05013	2.5
97.06593	9.9
98.06931	0.3
99.04530	0.4
107.01387	1.2
109.06594	0.7
121.02967	0.5
122.03724	0.7
123.04506	1.2
123.08174	0.6
125.02453	17.5
126.02722	0.6
133.06584	0.5
135.08145	0.3
137.09724	10.1
138.10065	0.6
139.07686	0.8
151.00423	1.7
151.07616	0.4
153.12846	0.9
161.09698	0.9
162.03255	0.3
167.03447	0.9
169.15968	2.0
179.10777	1.3
195.17545	1.0
204.32462	0.3
209.19127	0.8
249.22221	1.2
251.20177	6.2
252.20491	0.6
264.66229	0.4
267.23318	0.8
273.22308	0.6
291.23077	0.4
293.21268	0.8
333.24374	10.4
333.28247	0.4
334.24844	1.2
359.22217	1.0
360.22485	0.4
377.23328	100.0
378.23666	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	377.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
56.16658	0.4
57.03452	4.6
61.57584	0.3
69.03458	0.7
69.64206	0.6
69.64611	2.1
71.05014	0.4
79.01892	2.4
80.56549	0.3
81.03439	0.5
83.01403	1.2
83.05059	0.4
85.06589	7.3
85.07088	0.4
95.05034	5.4
97.02946	1.9
97.06583	0.4
98.11543	0.3
100.29202	0.4
107.05051	1.4
109.02948	0.4
109.06599	12.3
111.04531	9.8
112.04917	0.5
121.06567	0.4
122.03748	0.4
123.04546	1.4
123.08164	2.3
135.04550	3.6
136.05331	1.7
137.06076	0.4
149.06093	1.3
151.04068	0.9
151.07651	18.8
152.07985	1.0
153.05579	53.9
154.05910	3.2
163.07675	1.4
165.05568	1.3
167.03630	0.4
169.15996	4.6
177.05605	0.7
179.03539	3.2
179.07149	4.2
179.10786	6.0
180.11047	0.5
192.04327	1.4
193.05151	0.8
195.06627	45.3
196.06996	3.4
207.06628	19.6
208.07051	1.7
223.17001	0.5
359.22534	1.7
377.23318	100.0
378.23685	15.8
378.28674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.4
59.01385	7.0
61.61110	0.9
61.98834	100.0
62.07334	1.0
71.01388	4.0
71.59726	1.0
72.99337	1.3
73.02964	1.6
75.00879	3.3
76.43406	0.9
85.02965	3.8
89.02448	1.8
91.98540	1.0
95.01406	1.4
96.96014	1.8
99.00877	2.3
101.02416	2.0
103.04018	7.9
113.02451	3.7
115.00362	1.2
123.04501	1.4
125.02478	1.6
129.05603	7.9
149.02441	1.2
156.06685	1.0
161.02463	1.2
169.01453	2.1
195.04518	1.5
223.03969	1.8
247.02357	1.2
249.06157	4.1
251.03543	1.8
263.03629	1.2
267.07257	1.6
275.02121	1.1
279.03171	1.2
295.02457	1.5
307.02560	1.8
311.02075	1.2
335.02002	9.8
351.01431	3.3
358.28656	1.2
377.53723	1.2
379.00961	22.3
379.12387	13.9
379.16785	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	377.27
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
50.59401	0.4
57.52779	0.5
59.85593	0.4
65.00330	2.4
66.51451	0.5
69.03461	0.5
70.08297	1.3
70.08714	0.8
91.01948	0.6
95.01384	3.8
96.96034	0.6
97.02956	1.2
110.50730	0.4
111.00865	0.6
111.04523	0.7
121.02962	0.5
123.00848	2.9
124.01669	26.7
125.02499	0.7
135.04556	0.6
137.02449	1.1
138.03200	1.0
139.04022	10.0
139.05103	0.6
151.00391	2.5
152.01164	29.3
153.01596	1.0
165.01976	2.5
166.02715	8.4
179.03505	11.8
180.04182	0.8
184.00087	0.5
193.05069	1.7
198.01752	0.8
207.06670	0.8
221.08244	1.8
235.09795	1.4
236.10376	0.5
249.11287	1.4
263.12769	1.5
277.14465	1.6
291.15918	0.9
305.17685	0.9
319.19107	1.1
333.20688	0.7
333.27991	0.6
345.24112	0.5
359.22217	0.8
362.24582	0.5
377.27002	100.0
378.27328	18.6
378.32169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23066	0.2
55.01860	0.5
57.03424	0.8
59.01379	0.5
65.00295	0.4
67.01884	0.2
69.56778	1.5
71.05024	4.0
73.02937	0.5
76.69687	0.2
77.03957	0.4
79.01893	2.2
80.18093	0.2
81.74821	0.2
83.01360	0.5
93.03461	1.0
95.05032	15.1
96.05359	0.5
97.02953	2.9
107.05013	0.3
109.02933	0.4
121.02962	1.6
122.03709	0.8
135.04489	0.8
136.05272	0.6
137.02414	0.3
139.04024	15.9
140.04323	0.7
165.01997	1.7
177.00841	0.2
237.22142	0.5
253.25328	0.6
255.23212	0.5
275.23880	0.3
277.25378	2.1
278.25790	0.3
279.20322	0.4
279.23303	5.3
280.23572	0.6
291.26920	2.5
292.27243	0.4
305.24509	0.2
315.27078	0.2
318.25851	0.5
333.27988	34.5
334.28372	5.0
359.22159	0.3
359.25876	1.5
372.86993	0.2
377.26968	100.0
378.27313	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	377.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03451	0.4
70.92870	0.8
79.01910	1.8
79.95747	0.4
80.02693	0.4
85.06602	0.4
87.04505	1.2
95.05035	0.7
96.96017	2.4
99.08153	2.4
107.05034	0.9
111.04562	0.3
121.06557	0.6
123.08171	11.3
123.70257	0.4
124.08452	0.4
125.02518	0.3
135.04466	0.5
149.06062	1.4
152.04816	1.1
163.07666	0.8
167.07138	10.7
168.07466	0.6
180.04295	0.4
189.05603	0.5
193.05038	1.8
194.05444	0.4
207.06635	0.5
209.19147	0.7
227.20163	0.8
251.20168	2.3
252.20517	0.6
253.25362	0.5
263.23825	5.7
264.24106	0.8
266.06808	0.4
305.24744	0.5
333.27997	36.9
334.28351	5.5
359.26007	1.0
377.26974	100.0
378.27332	15.5
378.32196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41990	0.2
57.03485	0.5
57.79192	0.3
59.01402	0.3
61.98825	1.6
63.02424	0.8
65.00357	0.9
69.03490	0.6
69.42068	2.2
71.05045	0.4
77.11398	0.2
78.66289	0.2
81.03479	0.4
83.01408	0.7
83.05051	0.3
84.87727	0.2
95.01414	0.9
95.05060	0.9
97.02989	0.5
97.06612	1.7
99.04558	0.3
105.03482	0.7
107.01398	0.3
111.00918	0.3
111.04523	0.4
121.77810	0.3
122.03864	0.3
123.00881	0.4
123.04539	0.5
124.01669	26.9
125.02518	2.5
125.06114	0.3
128.04343	0.3
135.04543	0.7
137.02464	0.8
137.06082	1.0
137.09775	0.3
139.04021	100.0
140.04349	5.2
151.00359	0.9
151.97462	0.2
152.01151	1.5
165.01926	1.9
165.12836	0.5
166.02739	1.9
167.03445	0.7
167.07135	0.3
176.38046	0.3
178.02681	0.3
179.03506	4.5
181.05084	5.4
187.07675	0.5
193.05099	1.2
219.13908	0.3
221.08089	0.3
237.14995	1.3
249.07664	0.8
263.39523	0.2
287.20090	0.3
359.18283	0.5
359.25693	0.6
377.19431	21.7
377.26981	1.4
378.19968	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.3
57.03458	1.5
59.01382	15.0
60.01770	0.4
73.02969	1.0
79.01897	4.4
79.09827	0.3
81.03462	0.8
85.06591	6.4
91.05549	1.0
97.02960	2.6
107.05039	1.5
109.06590	8.0
109.87616	0.3
110.07014	0.5
111.04531	8.8
122.53526	0.4
123.04540	0.8
135.04535	4.5
139.04059	0.5
148.05276	0.4
149.06079	0.8
151.04015	2.4
151.07634	0.5
152.04744	0.5
153.05580	32.1
154.05916	1.6
162.06892	0.6
163.11275	0.7
165.32857	0.3
177.01942	0.7
179.03506	3.0
180.04256	1.1
194.05733	0.9
205.12456	0.6
217.15982	1.1
219.07486	0.4
271.17084	0.8
273.18585	13.8
274.18964	1.4
291.19623	0.8
299.16522	1.1
317.17575	46.9
318.17911	6.6
321.81976	0.4
333.20770	2.9
335.18655	5.2
336.18927	0.9
370.12677	0.4
377.19669	100.0
378.19986	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94831	0.3
55.01881	0.6
55.41401	0.3
57.03459	0.7
59.01379	0.5
61.98850	0.3
63.02393	0.4
63.13466	0.3
70.37119	0.3
79.01888	0.4
83.01432	0.3
85.02981	0.6
85.06595	17.2
86.06908	0.5
97.02959	2.4
100.81672	0.3
109.06597	1.2
111.04524	3.4
112.07604	0.3
124.01673	7.4
125.02484	2.0
135.04543	0.8
138.03253	0.4
139.04022	25.5
140.04373	1.3
151.04044	0.5
152.01198	0.5
153.05583	100.0
154.05917	4.7
165.01917	0.3
166.02708	0.3
167.03528	0.3
176.91013	0.3
177.05624	0.4
179.03462	0.8
181.05151	0.5
193.05103	0.5
193.36905	0.3
195.06714	0.6
217.63322	0.3
223.13405	1.5
260.19006	0.3
377.19650	16.6
377.23441	1.5
378.19995	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	377.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
57.44258	0.6
59.01377	1.1
65.00327	0.5
69.03471	0.6
70.05967	2.5
70.43959	0.4
71.05022	0.8
77.03960	1.7
79.01893	2.2
81.03439	0.9
83.01363	0.5
83.05032	1.2
85.02941	0.5
93.03443	0.6
95.01411	1.0
97.02959	1.3
99.04514	1.5
100.75150	0.5
103.01891	0.5
107.05045	0.9
109.02936	1.1
109.06580	1.3
111.04536	0.9
113.02436	0.6
120.53538	0.5
121.02991	1.2
121.41698	0.5
125.06094	1.4
127.04078	2.5
135.04498	0.8
137.02443	2.2
138.03226	12.2
139.03970	2.0
139.81261	0.5
149.06105	4.6
151.03978	2.0
152.04750	0.6
153.05591	29.7
154.05951	1.2
164.01143	0.7
164.04779	1.0
165.01926	4.7
165.05556	2.5
166.02737	7.8
167.03471	1.0
169.05176	0.5
175.03938	0.5
177.33339	0.5
178.02731	1.5
178.06352	0.6
179.03516	5.3
180.04291	5.7
181.04832	0.8
185.16893	0.5
187.11301	1.4
193.05072	34.2
194.05501	3.2
195.73761	0.5
207.06665	3.1
212.03250	0.6
233.08342	0.5
247.09818	1.7
248.10541	1.3
249.18642	0.9
263.12808	2.6
277.10861	2.0
317.21353	0.7
333.24313	0.8
345.20590	3.8
359.22263	0.8
377.23328	100.0
378.23679	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01393	0.5
63.02390	0.8
65.00327	1.0
67.59715	0.3
69.52145	0.3
70.35453	0.9
80.02737	0.3
81.03474	0.5
89.29427	0.3
95.01415	0.3
95.05050	0.3
97.02945	0.6
98.03762	0.8
98.19911	0.3
105.03465	1.0
107.01341	0.4
122.03764	0.7
124.01669	33.6
125.02438	1.1
127.11258	0.4
137.02426	0.8
137.06075	1.7
138.03241	0.4
139.04019	100.0
140.04352	4.7
143.92363	0.3
149.06134	0.8
150.03201	0.6
151.00381	1.0
151.03998	0.5
152.01184	1.8
153.05544	0.6
165.01964	2.2
165.12799	1.4
166.02724	3.2
167.03438	0.6
177.01961	1.1
177.05626	0.5
178.02757	1.4
179.03493	1.4
181.05072	17.5
182.05344	0.8
183.13864	0.8
193.05049	7.4
194.05434	0.6
195.02946	0.5
217.05058	0.7
231.18463	0.3
233.08231	0.8
235.06166	0.5
249.07703	2.0
345.17023	0.6
362.17328	0.6
377.19678	37.2
378.20038	5.4
378.24463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05768	0.4
54.15071	0.4
55.01891	0.5
57.03451	3.7
59.01373	0.8
61.53823	0.4
65.00322	0.9
69.82421	2.4
70.70834	0.4
79.01904	0.8
81.03464	19.3
82.03794	0.7
83.01392	2.2
83.05033	4.4
85.06593	1.8
97.02942	0.6
107.01401	0.9
107.05057	1.6
108.91107	0.5
109.06603	7.3
111.04527	3.0
111.08168	6.5
122.03774	0.8
123.04464	0.4
125.02451	11.0
135.04538	1.3
136.97118	0.4
137.09727	1.4
139.11252	0.7
151.00314	0.6
151.11302	3.6
153.04295	0.6
153.05580	13.5
154.05856	0.9
155.14420	2.4
157.12341	0.5
175.11308	1.7
179.03468	0.7
193.12375	1.2
195.17551	0.9
211.48940	0.4
219.10213	3.2
223.17099	1.2
251.20218	0.8
266.03476	0.4
267.23279	0.7
293.21393	0.8
333.24335	11.6
334.24744	1.7
353.12421	0.5
359.22412	2.8
377.23343	100.0
378.23666	14.5
392.33493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39978	0.3
57.03458	2.3
59.01381	0.7
59.47188	0.3
65.00330	1.3
67.01894	0.6
69.57887	2.0
80.02682	0.4
81.03468	13.4
82.03774	0.6
83.01403	1.8
83.05030	0.7
95.01394	0.5
95.05037	0.5
98.19740	0.3
107.01387	1.0
107.05078	0.3
108.02190	0.3
109.02917	0.4
109.06647	0.4
113.09730	0.9
120.54407	0.3
121.02995	0.6
122.03757	9.6
123.04517	1.3
124.01694	0.3
125.02455	13.3
126.02757	0.4
135.04509	0.6
135.08150	0.4
136.05276	0.6
137.09718	1.9
151.00389	1.9
152.01196	0.9
162.03224	0.5
163.86049	0.3
175.11186	0.4
177.12848	4.5
178.13255	0.3
179.03467	0.5
179.10791	2.2
189.12970	0.3
191.14502	2.2
201.12819	0.5
208.22185	0.3
219.13913	19.1
220.14230	1.8
237.04141	0.3
245.11786	0.5
263.12912	2.6
291.23358	0.5
293.21225	0.9
315.23221	0.6
315.98288	0.3
333.24570	0.7
359.22223	0.4
377.23349	100.0
378.23706	14.7
378.28659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34476	0.4
57.03447	2.5
61.30493	0.4
65.00328	1.3
70.92802	0.8
71.05018	0.8
74.05780	0.5
79.01903	2.3
81.03464	7.9
83.01380	1.5
83.05031	0.7
85.06581	1.2
91.05563	0.5
93.03474	0.6
94.79774	0.4
95.05042	0.6
99.04530	1.3
107.01398	0.7
107.05066	0.8
109.02956	0.8
109.06591	4.6
110.06878	0.4
111.04534	2.7
122.03744	2.0
123.04519	5.1
125.02456	8.1
127.03981	2.5
133.06566	0.4
135.04527	2.8
135.08223	0.4
136.05226	0.5
137.06012	0.6
141.12842	1.0
147.77672	0.5
149.09706	1.6
151.00372	1.5
151.04025	0.6
151.07660	0.9
152.04790	0.7
153.05588	8.2
162.03252	0.7
163.11288	0.8
164.04846	0.7
167.03445	1.2
173.09680	0.4
178.06348	0.4
179.03461	3.4
180.04228	0.9
191.10788	7.8
192.11197	0.6
193.08383	0.4
194.05881	0.5
217.08687	0.5
235.09729	4.1
249.18523	1.0
291.23257	0.6
293.21323	0.6
317.21274	0.7
318.21655	0.4
333.24283	1.3
335.22284	0.5
359.22278	1.1
377.23331	100.0
378.23669	13.7
397.18604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74891	0.9
57.03440	1.3
58.58115	1.0
59.01376	4.7
63.21931	1.1
64.22263	1.1
69.55182	2.9
69.55602	5.0
71.01379	3.4
79.95757	1.5
83.52119	1.1
85.02972	1.9
93.03452	2.4
93.19859	1.1
95.01405	2.0
95.05035	2.0
96.96020	13.0
101.06074	1.6
104.03542	1.0
121.02950	10.3
122.03728	4.6
125.02453	3.3
132.02193	1.3
133.02905	1.0
149.02452	100.0
150.03238	31.2
151.03635	1.8
164.04790	19.2
165.05571	28.2
166.06142	3.1
167.07133	5.1
169.01419	3.0
180.04224	1.4
195.06610	13.5
196.06909	1.1
212.69087	1.1
268.15805	1.2
283.09848	4.3
285.11203	1.5
314.11621	30.6
315.12015	4.3
329.13950	87.4
330.14273	12.3
335.52472	1.2
377.12708	3.6
377.25430	3.7
377.29291	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03453	2.1
58.00606	3.4
59.01396	2.7
69.03442	0.4
71.01382	0.4
71.05021	2.7
72.20143	0.4
72.46149	0.4
73.02959	1.5
79.01910	2.8
80.02696	0.4
80.77637	0.3
81.03463	1.0
83.01400	0.8
84.02151	0.5
85.02956	2.0
85.06593	12.7
91.05540	0.7
95.05048	0.6
97.02959	3.5
100.28113	0.4
107.05029	0.6
109.06599	13.2
111.04525	7.6
123.04520	0.9
124.01654	0.7
125.02457	8.5
135.04550	2.2
136.05371	0.4
138.03221	0.6
139.03006	0.8
139.04025	9.5
149.06122	0.6
151.04071	0.5
152.04865	0.4
153.05586	100.0
154.05917	4.8
162.07010	0.4
165.01968	0.6
166.06509	0.4
167.03494	0.9
176.04700	0.5
179.03510	2.0
180.04274	1.8
181.05116	0.4
194.05847	0.7
195.13940	0.6
207.06647	0.9
212.03217	0.4
219.17661	0.4
221.15456	0.6
223.13345	0.7
249.18515	0.4
251.12924	0.4
259.17081	1.3
263.12839	0.6
277.18082	0.6
305.21228	0.7
317.14056	1.8
323.14822	0.4
333.20627	0.8
333.24390	0.5
349.20544	0.4
367.69925	0.4
377.19708	91.3
378.20010	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03447	1.1
58.00590	1.8
59.01382	32.3
69.03455	1.7
71.01384	34.0
71.05020	0.9
72.00906	1.5
72.99312	2.6
73.02952	38.3
74.02473	6.1
74.03291	0.8
75.00877	2.7
79.95763	1.3
83.01398	4.5
85.02956	9.0
87.00873	4.3
87.04511	2.3
89.02463	4.7
95.01375	1.1
96.96017	25.9
97.02959	1.7
99.00889	3.0
101.02451	10.3
101.06087	100.0
102.06403	3.5
103.04010	8.9
104.03542	19.4
104.04244	1.2
107.01421	0.9
111.04516	1.1
113.02466	5.0
113.06094	2.4
115.07656	78.9
116.08015	3.5
120.99693	0.9
123.00868	1.2
125.02460	5.8
127.07659	8.2
128.38016	0.6
129.05582	0.8
131.03508	55.8
132.03848	2.5
137.02455	0.7
143.07146	10.0
149.02464	0.9
150.03238	0.9
159.06563	1.2
161.04512	0.6
165.05550	2.0
169.01425	3.1
173.08215	1.4
192.16757	0.6
195.06659	1.8
197.08244	1.5
203.09259	1.6
247.86058	0.6
268.15570	1.8
273.07840	0.9
275.01984	0.8
275.07761	3.7
291.09213	1.4
298.16537	8.7
300.99948	1.6
302.05396	1.5
317.16165	0.6
377.14526	41.0
377.25217	1.6
377.29300	1.5
378.11646	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	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03459	6.0
58.00599	2.1
59.01381	31.4
62.83633	1.0
67.01887	2.0
68.13249	0.9
68.48280	0.8
68.99821	2.7
69.03461	1.8
69.57097	2.0
69.57503	5.4
71.01388	37.5
72.01730	0.9
72.99311	10.6
73.02939	3.1
75.00881	38.2
76.01213	1.0
80.02686	1.1
81.03423	1.1
83.01392	1.9
84.02163	1.4
84.31442	0.9
85.02956	42.5
86.03240	0.9
87.00877	14.7
89.02451	11.5
91.03992	1.0
93.03462	1.2
95.01401	10.3
96.96017	3.5
98.19840	1.1
99.00895	17.7
101.02451	1.4
103.00370	5.6
109.02964	1.3
109.06577	1.2
111.00893	1.4
112.01642	1.5
113.02460	54.4
114.02734	1.4
115.00378	4.0
117.01959	6.2
120.25957	0.8
127.07662	44.4
128.07968	1.5
129.01941	3.5
131.03500	1.0
139.16676	1.0
149.04596	1.4
153.01929	1.0
153.03146	1.0
157.01395	2.2
169.01343	0.9
175.02502	6.2
189.04076	1.1
205.07150	4.1
207.05103	1.9
223.08212	2.2
231.05177	3.3
249.06160	45.8
250.06488	2.7
267.07220	94.9
268.07559	6.8
317.12567	1.5
359.13367	2.8
376.53818	1.0
377.14523	100.0
377.29178	2.4
378.14874	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	377.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
59.12548	0.9
63.95318	0.8
64.90252	0.8
71.01377	1.8
71.61155	1.4
73.02930	1.1
85.02927	0.9
89.02449	0.9
91.36121	0.8
92.99351	0.9
93.03458	2.6
95.01382	1.8
96.96011	9.5
101.02423	1.8
101.06065	2.0
107.01431	1.2
111.00903	0.9
121.02955	6.7
122.03699	2.8
123.00898	1.4
123.04498	1.0
125.02432	2.7
132.02190	1.0
133.02953	1.3
137.02422	1.2
141.44083	0.8
147.04465	1.1
149.02443	100.0
150.03239	24.2
151.03464	1.4
164.04784	18.5
165.05577	25.1
166.05975	1.3
167.07115	6.0
169.01399	2.7
172.25246	1.1
180.04276	2.4
181.08626	1.2
194.04695	1.1
195.06615	12.1
196.65494	1.1
209.44241	0.9
280.56186	0.9
283.09836	3.1
300.99878	2.5
314.11594	30.3
315.12067	4.0
329.13940	85.0
330.14230	12.3
377.08234	1.8
377.12634	1.6
377.25211	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	375.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01384	0.5
65.00323	1.3
70.68568	0.5
70.83891	0.8
70.84219	0.7
78.95908	1.2
81.03461	0.5
83.01406	0.8
85.02953	1.0
95.01392	4.8
95.05005	0.6
97.02957	1.4
100.85305	0.5
107.01421	0.5
111.00875	1.1
121.02927	0.6
123.00881	2.2
123.08177	0.8
124.01674	23.5
125.02486	1.1
137.02440	1.4
138.03210	1.8
139.04019	9.4
140.04306	0.5
151.00346	3.1
152.01166	21.1
153.01494	0.7
163.07610	1.1
165.01941	4.4
166.02724	6.0
167.07156	1.1
179.03510	10.1
180.04144	1.7
193.05080	3.0
194.05920	0.6
198.01631	0.7
207.06712	2.9
208.07178	0.8
212.03391	0.7
217.12456	1.0
231.13878	0.8
261.11371	4.1
262.12018	0.6
275.12936	5.8
276.13300	0.9
289.14484	1.5
299.23779	0.6
303.16052	0.5
303.23340	0.6
317.17627	0.9
331.19080	0.8
331.26340	2.6
332.26935	0.6
375.25421	100.0
376.25751	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	377.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
61.98823	0.4
62.87753	0.3
69.43478	0.9
69.43905	1.5
71.01377	0.9
73.02957	0.5
79.95737	0.9
80.96517	0.4
83.01390	0.3
85.02951	0.4
87.04543	0.6
89.02440	0.8
95.04989	0.3
95.98954	0.4
96.96008	6.0
99.00895	0.3
101.02402	0.6
103.04012	1.7
107.01375	0.5
107.05004	0.5
113.02474	0.5
115.04000	0.4
119.03515	0.3
123.00891	0.5
125.02436	1.2
129.05580	0.5
134.03738	1.0
135.04526	100.0
136.04836	4.8
137.02603	0.3
138.96992	0.4
139.00429	0.4
149.02454	0.3
161.04517	0.5
169.01503	1.7
215.00140	0.3
215.09323	0.4
241.00237	8.2
242.00505	0.5
247.02466	0.6
274.01282	0.5
275.02054	0.6
297.04401	0.3
297.09839	4.1
298.10242	0.3
300.99548	0.4
317.15906	0.7
347.11215	0.6
377.05426	20.6
377.13947	1.1
377.21771	1.3
377.53290	0.4
378.05753	2.5
378.13919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2541
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
71.05026	4.4
71.35441	1.5
74.37585	0.7
79.01897	2.5
93.03452	1.0
95.05032	12.5
97.02944	2.6
97.06605	1.0
103.69130	0.7
121.02956	2.2
128.55156	0.8
135.04517	0.8
139.04005	13.8
139.04999	1.3
140.04308	0.8
165.01967	1.3
166.02747	1.0
166.08243	0.8
203.06154	0.7
204.40189	0.7
277.21750	3.5
289.25391	1.6
297.75323	0.7
298.30902	0.7
331.26437	28.3
332.26892	4.3
332.57986	0.9
375.25406	100.0
376.25745	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20063	0.4
53.62394	0.4
55.01857	0.6
57.03438	1.2
62.39154	0.4
65.70833	0.4
69.59686	1.1
69.60094	1.5
75.22229	0.4
79.01904	1.3
81.03465	0.4
83.04992	0.5
87.04510	0.8
95.05020	2.5
95.92960	0.3
96.01406	0.4
99.08157	2.6
107.05040	1.1
121.06574	1.1
123.07342	0.7
123.08167	9.2
147.08151	0.7
149.06133	2.0
150.06850	1.0
152.04810	0.6
163.07643	0.6
163.41205	0.5
165.09225	3.5
167.07138	10.1
177.09120	0.6
189.05583	0.9
193.05031	1.5
207.06618	3.2
207.17542	0.4
226.38864	0.4
249.18643	0.7
259.87531	0.5
261.22150	1.1
331.26431	28.1
332.26855	3.8
357.24582	0.6
375.25409	100.0
376.25745	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25686	0.9
51.28162	0.9
57.03441	3.7
65.00330	1.1
70.13450	2.6
70.13840	1.7
77.03980	2.2
79.01891	1.9
98.19920	1.1
107.05019	1.6
107.52186	0.9
109.06579	2.1
111.04528	1.5
113.89240	0.9
121.02991	1.9
125.02428	2.5
127.11316	6.7
138.03239	21.8
139.03973	2.7
149.06071	3.2
151.03990	2.2
153.05583	62.4
154.05930	3.5
163.07642	1.1
164.01184	1.6
165.01865	5.7
165.05574	1.9
166.02760	8.1
166.05795	1.1
178.02733	1.1
179.03496	6.6
180.04250	3.3
181.04994	5.3
186.14534	1.0
187.11258	2.5
193.05070	23.5
194.05650	2.1
194.67400	1.0
194.88196	0.9
204.04242	2.6
207.06654	7.7
229.08733	1.3
231.10225	1.4
232.07491	1.2
233.08165	4.2
247.09721	21.6
248.10167	1.9
343.19135	2.0
357.20499	1.2
375.21747	100.0
376.22128	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	375.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73391	0.6
51.87853	0.5
57.03448	2.7
59.01383	2.0
62.64996	0.6
63.90965	0.6
71.05038	6.3
71.24892	0.8
72.87457	0.6
81.03462	0.8
83.05025	2.0
85.02956	5.3
95.01415	1.1
97.02953	0.9
97.06573	0.7
99.04539	4.6
107.05019	2.7
109.02963	5.5
109.06573	1.0
111.04517	2.4
113.02457	1.0
122.03735	1.8
123.04546	2.9
125.02434	1.5
125.06102	3.2
127.04034	7.5
135.00928	0.8
135.04529	2.0
141.05547	0.6
147.04500	0.8
149.02443	1.7
149.06084	1.1
150.03185	0.6
151.04048	4.6
152.04854	3.0
153.01904	0.9
153.05603	2.9
161.06056	0.9
162.06825	0.8
163.04066	3.2
163.15034	0.7
163.16487	0.6
164.04799	1.7
165.05595	1.2
167.03551	1.4
169.04993	1.1
177.01961	3.5
177.05551	0.6
178.02734	2.2
178.06355	4.9
181.05031	2.5
191.03513	2.0
196.03796	0.6
205.05011	1.1
205.15977	2.2
206.05875	5.8
209.04581	1.0
210.05347	0.7
223.17038	1.5
240.85202	0.6
247.17046	1.0
291.19403	0.6
305.24789	1.8
313.21768	1.2
315.19644	4.7
316.20316	1.5
319.19202	6.3
320.19635	0.8
329.21210	6.4
331.22858	2.3
333.20782	1.9
339.19830	0.8
357.20728	27.9
358.21219	3.5
360.19412	2.1
375.21765	100.0
376.22052	16.2
376.26324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.1
58.03790	0.2
63.02402	0.2
64.92303	0.1
65.00328	0.5
69.86716	0.7
71.39832	0.1
81.03465	2.1
83.01392	11.5
84.01727	0.2
88.06770	0.1
95.05069	0.2
105.03458	0.3
107.01392	0.6
121.02969	0.9
123.04506	1.3
125.02453	100.0
126.02786	3.7
129.64005	0.2
145.64783	0.1
149.02438	1.7
151.00352	0.8
167.03496	2.0
190.02708	0.3
249.18611	4.7
250.18942	0.6
305.24756	0.2
335.01920	0.1
336.50061	0.2
339.89905	0.2
375.21713	8.4
375.25436	0.4
376.22168	1.3
377.52240	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	375.2178
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
54.12774	0.6
55.01872	0.8
57.03449	6.2
58.74984	0.5
69.03479	0.5
69.60953	0.5
70.41293	2.0
70.42941	0.5
71.05021	0.6
79.01884	3.1
81.03469	3.5
83.05021	0.6
85.06586	7.9
91.05550	1.3
93.03510	0.8
93.07111	0.5
95.05056	0.7
97.02935	4.0
98.19936	0.6
106.01955	0.5
106.62656	0.5
107.05041	1.8
109.06591	16.0
110.06898	0.9
111.04527	8.4
111.08157	2.2
111.88396	0.6
113.09679	0.6
125.02454	2.3
127.11297	10.8
128.11627	1.1
135.04527	4.4
136.04999	0.5
137.09688	1.1
147.08165	0.9
151.04030	0.6
151.07660	1.3
153.05585	48.2
153.12848	1.7
154.05923	2.2
159.48895	0.4
163.07651	0.7
163.11333	3.1
167.14392	1.4
177.12849	0.8
179.03459	3.1
180.04237	1.6
185.09724	0.8
193.05185	0.6
195.06639	1.0
201.09245	1.2
203.10805	1.1
207.06618	0.7
209.15486	0.6
219.13947	2.6
219.17429	0.8
221.15479	6.4
229.08710	7.1
230.09044	0.6
247.09735	10.0
248.10188	0.7
275.20132	0.7
331.23022	0.6
334.90768	0.6
357.20703	2.3
375.21774	100.0
376.22095	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.9
58.60511	0.5
59.01382	0.8
60.09361	0.5
61.54043	0.4
65.00317	1.1
65.03953	0.5
66.72462	0.4
69.60339	2.0
69.60761	1.2
71.05023	0.5
79.05511	1.1
81.03465	14.3
83.01392	8.2
83.05022	1.7
89.01810	0.5
93.03437	0.5
95.05013	1.1
98.19922	1.0
105.46211	0.5
107.01387	1.6
107.05024	1.4
109.06599	5.9
121.06560	0.6
123.04539	1.2
123.08141	0.7
124.01652	0.6
125.02453	26.3
126.02746	1.4
133.06586	1.4
135.04579	1.0
139.11287	1.0
147.08107	0.5
149.06224	0.6
149.09734	6.8
151.00391	2.2
151.07658	1.8
152.01157	0.9
155.14439	8.9
156.14774	0.9
157.12364	0.7
163.87347	0.5
167.03450	1.2
173.09740	1.2
175.07639	1.7
179.03500	1.3
181.16002	5.3
191.10785	5.5
193.15996	0.5
201.05617	3.7
217.08618	0.7
219.06573	4.0
219.18105	0.7
221.19037	0.6
247.20668	1.7
249.18607	10.2
250.18896	1.1
271.20807	0.6
289.21689	0.9
291.19632	0.9
328.23773	0.4
331.22867	0.6
357.20630	1.0
375.21774	100.0
376.22104	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
57.03448	2.6
61.48742	0.7
62.08378	0.6
79.01906	2.4
81.03491	2.1
85.06597	14.7
91.05537	1.0
93.03465	0.7
97.02972	3.0
107.05049	1.6
107.18465	0.6
109.06595	8.8
111.04530	9.8
119.05036	1.2
123.04530	2.3
135.04527	2.3
135.08191	3.7
136.05305	0.9
137.06114	1.0
138.03250	0.9
149.09694	1.0
151.03996	1.5
151.07661	0.9
152.04765	0.9
153.05582	84.8
154.05930	4.1
155.14412	6.0
160.05298	1.1
161.06065	1.0
163.07593	1.6
165.02028	0.9
165.05521	1.1
165.09222	3.3
175.07645	7.3
176.08086	0.7
179.03511	5.8
180.04228	1.2
191.10782	2.0
193.05002	1.5
193.15988	0.7
194.05766	0.8
195.17419	1.0
217.08624	1.8
219.06609	1.4
235.09781	1.3
242.68088	0.7
282.18451	0.7
303.23975	0.7
326.18872	0.6
331.22836	4.6
357.20490	1.2
375.21710	100.0
376.22104	16.8
376.25726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2177
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
55.01889	1.8
57.03448	2.6
61.48742	0.7
62.08378	0.6
79.01906	2.4
81.03491	2.1
85.06597	14.7
91.05537	1.0
93.03465	0.7
97.02972	3.0
107.05049	1.6
107.18465	0.6
109.06595	8.8
111.04530	9.8
119.05036	1.2
123.04530	2.3
135.04527	2.3
135.08191	3.7
136.05305	0.9
137.06114	1.0
138.03250	0.9
149.09694	1.0
151.03996	1.5
151.07661	0.9
152.04765	0.9
153.05582	84.8
154.05930	4.1
155.14412	6.0
160.05298	1.1
161.06065	1.0
163.07593	1.6
165.02028	0.9
165.05521	1.1
165.09222	3.3
175.07645	7.3
176.08086	0.7
179.03511	5.8
180.04228	1.2
191.10782	2.0
193.05002	1.5
193.15988	0.7
194.05766	0.8
195.17419	1.0
217.08624	1.8
219.06609	1.4
235.09781	1.3
242.68088	0.7
282.18451	0.7
303.23975	0.7
326.18872	0.6
331.22836	4.6
357.20490	1.2
375.21710	100.0
376.22104	16.8
376.25726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
58.01596	0.5
58.59473	0.5
59.01389	1.0
65.00321	1.3
69.03451	0.9
69.63477	3.4
71.05009	0.6
78.02927	0.4
81.03471	5.0
83.01385	2.8
83.05016	1.2
85.02947	0.7
95.01412	2.3
97.82906	0.5
99.04514	0.7
107.01389	0.5
111.00889	1.8
121.74524	0.5
123.00899	0.9
123.04556	0.9
124.01664	3.4
125.02463	13.1
126.02859	0.9
135.04526	0.8
137.02434	0.8
137.06062	1.3
139.04028	2.5
149.09740	0.8
151.00388	4.3
152.01157	3.4
153.01894	1.3
153.05566	1.1
165.01862	0.8
166.02730	9.1
166.82898	0.5
167.03410	1.2
167.20941	0.5
179.03517	4.8
181.05037	0.5
191.10753	0.9
193.05029	1.4
207.06758	0.7
208.07448	0.6
235.09822	2.6
236.10172	0.5
247.06065	0.8
263.09229	5.6
268.24585	0.4
273.18661	0.5
303.16165	1.0
331.22681	1.6
332.23291	0.6
357.20792	0.8
375.21756	100.0
376.22122	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34297	0.5
57.03460	3.4
65.00320	0.9
66.59686	0.5
67.01899	0.5
69.03465	0.7
69.55541	1.9
69.55964	1.5
71.05025	1.3
79.01925	1.0
81.03467	8.1
83.01409	1.5
83.05017	0.7
85.06597	2.6
88.12875	0.4
92.51060	0.4
95.01419	0.6
97.02969	0.6
97.06590	0.5
98.20676	0.6
107.01382	1.0
107.04992	0.4
109.06585	3.4
111.04543	3.6
117.55839	0.5
122.03741	4.3
123.04508	1.1
123.08174	0.7
125.02451	9.2
135.04549	1.8
136.05305	0.9
139.82639	0.5
139.97502	0.5
142.05714	0.6
149.09677	0.6
151.00371	0.9
151.07698	0.7
153.05591	14.9
166.02861	0.5
177.12869	0.6
179.03497	1.7
193.05096	0.9
194.05905	0.8
195.06609	0.9
202.79465	0.6
207.06613	1.3
217.15950	1.3
219.13890	0.7
226.69875	0.5
254.50958	0.5
259.17038	9.4
260.17343	1.4
261.11441	0.6
263.16724	0.6
285.14877	0.8
303.16135	3.3
331.22879	0.8
357.20825	0.9
375.21780	100.0
376.22092	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	375.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59731	0.4
51.23899	0.5
52.75219	0.4
55.96339	0.5
56.24327	0.5
64.24156	0.5
69.03447	0.7
69.49632	3.5
69.50031	1.0
77.03974	1.7
77.61772	0.5
79.01888	1.8
83.05024	0.8
94.11323	0.4
95.01390	0.5
95.05020	0.9
97.02965	1.2
98.19874	1.0
99.67275	0.5
107.05046	0.7
109.02964	1.4
109.06631	0.5
111.04498	1.1
121.02924	1.3
125.06139	1.1
128.12711	0.5
135.04544	1.3
137.02466	1.5
137.06082	1.4
138.03241	12.7
139.04050	3.7
139.77734	0.5
149.06093	4.8
151.03993	2.1
153.05583	25.8
154.05965	1.1
164.01118	1.2
165.01944	6.0
165.05566	1.8
166.02733	9.1
178.02733	1.2
179.03511	8.1
180.04300	7.1
181.04883	0.7
183.34686	0.6
191.07167	0.5
193.05066	30.8
194.05667	2.6
195.06592	0.8
198.57903	0.6
201.43556	0.5
207.06676	3.6
227.14478	1.5
233.08174	0.8
243.14014	1.2
247.09470	0.5
261.28610	0.6
287.12927	11.2
288.13342	1.8
303.16104	3.4
343.19168	1.7
357.20709	0.6
359.18884	0.8
375.21790	100.0
376.22144	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02639	0.6
57.03459	0.5
59.01384	100.0
60.01718	1.0
63.96026	0.8
71.01398	3.1
72.62710	0.7
79.95751	2.0
80.96532	1.5
85.02970	2.8
87.02553	0.6
89.02438	0.6
96.96046	2.5
98.68432	0.6
99.00838	0.8
101.02466	2.5
113.02476	1.3
121.02954	1.3
124.08144	0.6
125.02444	1.3
145.75642	0.6
153.05708	0.8
161.04614	2.5
165.02016	0.8
191.00058	0.7
287.11484	0.7
293.73163	0.7
297.85382	0.7
315.18262	1.2
332.00348	1.2
357.00858	1.0
375.02075	1.8
375.14426	1.2
375.22723	0.7
375.27521	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03454	0.8
58.00600	2.4
59.01388	43.1
60.01717	0.5
69.60737	2.9
70.02805	0.4
71.01392	24.2
72.99316	2.3
73.02953	1.2
74.22349	0.4
75.26309	0.4
79.95744	1.1
80.50150	0.4
83.01405	2.0
85.02967	6.2
87.00888	1.0
89.02458	22.4
93.56670	0.4
95.01423	2.7
95.95232	0.6
96.96026	3.3
97.37411	0.4
101.02460	12.7
111.97282	0.4
113.02465	8.5
115.35477	0.4
119.03516	6.7
121.02983	2.4
125.02457	0.5
137.02431	0.5
138.25093	0.4
143.03546	0.5
149.70773	0.4
150.55901	0.5
165.05515	0.8
183.13930	0.5
195.13916	9.7
195.15724	0.5
196.14178	0.5
203.17097	0.4
213.14983	4.7
218.46153	0.4
218.67023	0.4
259.56793	0.5
281.91257	0.4
287.01999	0.5
296.60275	0.4
316.02359	1.0
357.19470	0.8
375.20285	100.0
376.20688	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01369	0.9
63.90690	0.4
64.89909	0.4
69.03471	0.5
71.61202	0.7
74.99069	2.0
79.01906	1.3
81.03454	0.4
83.01405	0.7
85.02944	2.4
93.00149	1.6
95.05031	2.0
113.02465	1.0
123.04537	3.5
125.02458	2.0
136.81512	0.4
137.02438	0.4
137.06094	0.4
138.41917	0.4
143.05338	0.6
149.00975	0.8
159.08484	11.2
160.08592	0.7
161.06412	3.5
163.04111	0.5
167.03534	1.3
178.06380	1.2
179.03450	0.8
192.98143	0.5
205.15999	0.4
209.01230	2.4
217.07233	1.3
249.18607	0.7
261.04181	0.5
261.22235	0.6
275.05966	0.9
277.07526	2.4
289.07578	2.0
291.09116	97.6
292.09271	15.7
303.23300	0.7
309.09943	0.8
319.19046	0.6
331.22833	6.7
331.26398	0.5
332.23077	0.8
333.20703	4.0
357.13745	1.8
357.20673	1.2
358.14053	0.5
359.15356	100.0
360.15509	19.3
375.18094	3.8
375.21658	7.6
375.25467	16.1
376.18372	1.1
376.22223	1.4
376.26352	2.3
377.16348	0.9
393.62302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
59.01376	2.3
63.02402	0.9
65.00314	2.7
69.03471	1.6
70.01762	2.1
71.05027	1.8
79.95751	3.3
80.47907	0.6
81.03451	4.9
83.01378	1.8
83.05021	1.5
84.02187	3.3
85.02960	0.8
85.67413	0.7
93.03487	1.1
95.01403	4.0
95.05025	1.6
96.96043	0.9
97.02950	1.8
107.01379	0.7
109.06584	2.0
111.00846	1.0
111.04506	2.4
116.95650	0.6
121.02963	0.8
123.00887	2.8
124.01672	25.3
125.02460	31.5
126.02783	1.1
135.04509	2.5
137.02419	3.2
139.04019	66.8
140.04362	2.3
142.57384	0.7
143.09557	0.7
144.04160	0.7
144.72348	0.7
151.00391	5.8
151.07639	0.8
151.83049	0.6
152.01176	7.4
153.05557	1.5
161.02484	1.2
165.01915	5.4
166.02702	6.9
170.13489	0.6
176.87694	0.7
179.03511	28.7
180.03981	1.8
181.05109	2.3
185.63966	0.6
191.10736	0.7
193.05121	3.4
221.08038	0.8
233.08208	1.7
235.09767	1.9
247.09705	4.7
257.19193	0.9
262.11716	0.8
271.17084	1.1
291.15860	0.8
294.98935	2.0
303.12460	1.4
331.19220	0.8
350.75015	0.7
357.17072	4.3
357.20596	0.7
375.18085	100.0
376.18454	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	375.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.5
57.03434	4.3
58.00587	7.0
59.01389	88.3
59.95438	3.3
61.98840	7.0
69.03477	3.7
71.01393	75.5
71.59796	4.5
72.99315	13.1
73.02950	7.2
74.99098	7.3
78.95910	16.2
79.95737	8.5
83.01419	5.0
85.02968	18.6
87.00893	12.9
89.02454	81.2
93.03464	4.4
95.01403	10.0
96.96008	7.0
96.96970	28.1
97.02959	5.3
99.00950	4.4
101.02470	37.2
107.01394	8.6
108.02229	5.1
111.00880	8.3
111.02036	5.1
113.02473	33.3
117.03459	11.9
118.98078	4.0
119.03525	36.4
119.04996	4.3
121.02951	8.7
123.00917	19.2
123.04546	7.9
124.01663	13.1
125.02459	56.2
131.03465	5.7
133.02899	3.9
135.04503	3.8
137.02448	8.2
139.00381	6.7
140.01074	4.0
145.02983	51.5
146.03706	13.3
147.04517	16.2
149.02441	32.4
149.04623	5.4
150.03259	54.6
151.00409	19.2
151.03909	3.6
153.01947	6.2
153.05568	5.6
161.02466	53.8
161.04568	13.0
162.03239	57.4
163.03963	9.6
164.04782	15.8
165.05583	100.0
166.06007	6.8
167.03618	4.3
168.00620	23.9
168.99959	7.0
169.01433	90.0
174.99232	4.9
177.05605	31.5
179.05615	7.5
180.04387	17.4
189.02029	7.3
192.04121	4.0
194.99428	5.8
195.06638	46.1
214.07248	4.9
217.00267	19.0
243.03481	3.9
300.99860	8.1
313.05783	9.6
315.05743	6.0
331.06796	15.6
357.11789	8.6
375.05515	35.3
375.09430	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89833	0.4
57.03453	1.2
59.01389	2.7
63.02400	1.2
65.00314	2.5
65.03964	0.4
69.03442	1.0
69.56467	1.4
69.56895	1.4
71.05015	0.5
73.02960	1.1
81.03471	1.1
83.01408	1.3
83.05042	0.5
89.00369	0.4
91.01903	0.6
93.03474	1.3
95.01395	2.6
95.05035	2.2
97.02975	2.1
97.06583	0.4
98.19965	0.6
105.03468	0.4
107.01388	1.2
107.05027	0.5
109.02970	0.9
111.04533	1.9
121.02930	1.2
122.03761	0.6
123.00902	1.5
123.04540	0.9
124.01665	22.7
125.02502	4.6
135.04536	2.5
137.02435	6.1
137.06110	1.9
138.03200	1.5
139.00378	1.1
139.04018	73.7
140.04343	3.2
145.10214	1.2
149.06082	0.7
150.03149	0.4
150.81537	0.4
151.00371	4.9
151.04024	1.7
152.01161	7.9
163.03986	0.5
164.01172	0.8
165.01935	19.0
166.02733	8.3
167.03471	0.8
177.01915	0.9
178.02739	1.1
179.03502	29.6
180.04164	2.1
181.05063	12.3
182.05418	0.8
193.05052	7.0
194.05345	0.4
194.68944	0.4
207.06604	0.7
207.79704	0.5
219.06589	0.8
233.08121	1.1
247.09737	0.9
261.11383	0.6
273.11374	1.4
274.11542	0.5
277.10934	0.5
285.11404	0.8
287.12842	1.8
299.12955	1.2
301.14474	11.9
302.14813	2.2
313.14474	0.8
315.12424	2.2
331.15546	5.4
332.15735	0.5
339.16101	0.5
343.15497	0.6
357.17072	17.0
358.17429	3.2
375.18118	100.0
376.18448	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	375.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66022	0.6
54.87700	0.5
55.37728	0.6
57.03442	0.9
59.01384	1.1
63.02400	1.5
65.00330	2.7
69.03459	1.4
69.66338	2.6
69.66750	1.2
71.01388	0.8
71.05024	0.8
73.02964	1.6
81.03471	1.3
83.01390	1.1
83.05038	0.6
89.00311	0.7
91.01961	0.7
93.03471	1.3
95.01387	3.2
95.05029	1.5
96.96037	0.7
97.02986	2.8
97.77340	0.6
98.20589	1.4
105.03462	1.0
107.01408	0.7
108.84273	0.6
109.02969	0.8
111.00912	0.6
111.04538	2.4
121.02994	1.1
123.00923	0.8
123.04521	0.9
124.01673	29.4
125.02543	4.2
135.04538	3.2
136.70416	0.6
137.02454	6.9
137.06099	2.2
138.03273	1.1
139.04024	80.3
140.04330	3.3
145.10228	1.9
150.03233	1.2
151.00400	7.4
151.04010	2.2
152.01160	11.8
153.05586	2.2
165.01933	23.3
166.02716	9.6
167.03458	1.1
177.01898	1.8
178.02718	1.5
179.03503	32.4
180.04059	2.5
181.05081	18.5
182.05428	0.9
182.26593	0.6
193.05066	9.3
204.65009	0.7
217.08835	0.7
219.06976	0.7
220.14801	1.3
221.15407	3.7
233.08156	1.1
236.10547	4.0
269.11746	0.8
271.09906	1.0
273.11411	1.8
285.11386	1.3
287.12997	0.8
293.17670	1.6
299.12982	1.8
301.10989	1.1
301.14447	16.7
302.14728	1.5
313.14502	1.4
315.12350	2.3
331.15506	6.5
339.15982	1.3
343.15265	0.8
357.17072	28.9
358.17389	3.5
375.18124	100.0
376.18494	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	375.1814
Annotation	NORCAESALPININ E
Peak:m/z	Relative Intensity
57.21387	0.9
58.33535	0.9
59.01377	15.4
65.00323	10.4
69.55241	7.7
79.01868	1.2
83.05020	1.6
89.00351	1.7
91.01913	1.7
93.03475	1.4
95.01414	2.8
95.23212	1.1
97.02963	12.0
105.03483	1.1
106.95339	1.1
107.05077	1.3
108.02169	1.2
109.02950	2.7
111.00884	2.1
120.39825	1.2
121.02945	6.0
122.03781	1.9
123.00954	1.5
124.01673	22.4
125.02449	2.1
135.04498	1.9
137.02451	17.7
138.03265	13.4
139.04034	23.5
149.06088	4.0
149.99530	2.6
150.03200	1.2
151.00385	3.0
151.04013	3.1
152.01155	25.0
153.05592	25.8
154.05952	1.8
163.03981	2.9
164.01157	1.9
165.01939	66.0
165.05574	2.4
166.02733	15.5
167.03123	1.3
175.03987	1.3
177.01923	12.9
178.02602	2.4
179.03505	10.1
180.04237	8.8
181.05095	7.4
183.03058	2.0
185.04146	1.1
191.03574	6.2
193.05067	31.7
194.05615	3.1
205.05029	2.5
207.06619	3.7
237.25598	1.1
241.15926	1.4
257.08621	1.1
273.18604	1.5
287.12930	4.0
301.14407	4.3
315.16022	52.4
316.16171	5.4
333.17178	4.5
343.19131	2.5
345.17880	1.2
375.18030	97.7
375.21829	100.0
376.18311	11.2
376.22211	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	375.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56939	0.9
52.58645	0.9
53.11419	0.7
54.14150	0.9
55.46665	0.8
56.98035	8.6
59.01376	4.6
60.55418	0.9
60.97515	1.1
63.96238	2.2
70.25006	0.9
71.01393	3.4
71.05023	0.9
71.60303	1.3
72.99309	8.7
73.98323	4.1
74.99102	100.0
79.95746	8.9
80.91677	1.0
83.01402	2.4
85.02969	2.8
87.00877	18.5
89.02472	2.3
90.98613	0.9
93.03442	1.1
95.01407	3.5
95.95249	2.5
96.96019	13.5
101.02447	1.0
108.01069	1.1
110.61271	1.1
111.00894	1.9
111.16762	0.9
113.02470	3.0
117.05582	1.2
117.97353	1.2
118.98106	5.4
120.99656	16.6
123.00899	1.7
125.02451	4.5
127.00362	1.3
127.43565	0.9
135.04506	1.2
135.98396	2.9
136.99152	73.6
137.02441	1.5
139.00371	3.1
143.85403	1.3
163.04002	1.1
166.99892	6.1
169.01466	2.4
185.01073	1.0
187.00313	0.9
190.06367	7.3
191.07112	3.4
192.02559	7.7
205.03276	5.5
205.08655	8.5
206.04099	3.6
207.04866	6.0
213.11313	1.8
214.99768	0.9
220.01913	1.0
224.05080	6.9
235.04378	1.3
236.05113	16.1
237.05504	2.0
239.07474	63.1
240.07816	6.6
249.06235	2.9
251.07478	38.1
252.07890	3.5
261.07968	1.6
275.01886	1.7
287.09476	1.3
294.98969	2.3
301.00012	2.1
327.09006	1.3
357.10559	2.0
374.94824	1.3
375.11261	62.4
376.02481	1.0
376.11261	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	373.2385
Annotation	CHEBI:69384
Peak:m/z	Relative Intensity
57.03459	2.0
57.23736	0.4
69.67828	0.6
69.68237	1.7
71.05026	5.4
73.02955	0.5
77.03953	0.6
79.01901	3.0
80.19726	0.4
81.03492	0.6
83.01398	0.8
93.03460	0.7
95.05037	16.8
95.65202	0.4
96.05356	0.9
97.02952	3.3
97.06620	0.9
98.82244	0.4
99.34576	0.4
107.05057	0.4
108.60855	0.4
109.02988	0.6
111.58341	0.3
121.02962	1.7
122.03782	0.7
135.04541	1.1
137.06104	0.6
139.04028	18.5
140.04283	0.7
149.06107	0.5
154.25810	0.4
165.01909	2.5
166.02722	0.9
192.69194	0.4
233.19138	1.2
258.14713	0.5
275.20129	1.8
287.23709	0.8
314.22653	0.5
329.24872	31.4
330.25241	3.4
355.22751	1.3
365.64786	0.5
373.23849	100.0
374.24176	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95407	0.2
55.01879	0.7
57.03448	1.4
69.75350	0.3
69.76277	0.3
79.01901	2.2
81.03458	0.9
83.01360	0.3
83.05029	0.6
85.06602	0.8
87.04522	1.0
95.05039	1.9
97.02962	0.5
97.06634	0.3
99.08155	3.7
100.93282	0.3
107.05048	1.0
109.02946	0.4
111.04536	0.9
121.06590	1.9
122.03767	0.3
123.04536	0.4
123.08171	17.3
124.08504	0.9
147.08105	0.6
149.06090	2.2
150.06865	0.7
151.04004	0.3
152.04778	0.9
163.07701	0.4
165.09207	3.0
167.07144	11.4
168.07504	0.5
169.07449	0.3
179.03549	0.6
189.05565	1.0
193.05058	2.1
194.05782	0.5
204.07889	0.5
205.15976	3.0
207.06651	3.0
208.07185	0.5
221.08141	0.3
247.17216	0.5
259.20563	0.7
298.17484	0.3
329.24872	22.8
330.25204	3.8
355.22684	0.5
373.23846	100.0
374.24194	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	373.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51322	0.8
65.00321	1.8
68.90177	0.8
69.32066	7.4
81.03453	1.2
89.20222	0.8
95.01399	4.8
97.02940	1.5
123.00917	2.3
124.00849	1.2
124.01676	21.9
125.02460	1.3
137.02428	1.5
138.03316	1.0
139.04036	9.7
151.00343	3.5
151.04012	1.0
152.01166	24.0
153.01477	0.9
162.22597	0.9
165.01920	3.8
166.02739	6.0
179.03513	11.8
180.04036	1.6
193.05074	2.8
207.06569	2.0
257.15414	1.2
261.11380	2.0
287.13013	1.3
297.22208	1.0
301.14514	7.8
315.16031	2.6
373.23849	100.0
374.24216	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	373.2386
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
50.00765	0.3
53.39841	0.3
55.01878	0.7
57.03450	2.3
59.01389	1.6
65.00314	0.3
69.03489	0.4
69.78350	1.3
69.78761	0.6
70.56966	0.3
71.05028	13.1
72.05355	1.1
73.02946	1.2
79.01894	4.1
80.02245	0.8
81.03437	0.8
82.03792	0.3
82.33467	0.4
83.05025	0.9
85.02958	47.0
86.03291	1.4
93.03469	0.5
95.01403	0.4
95.05027	5.0
96.05354	1.9
97.02966	3.5
97.05541	0.4
97.06621	0.9
98.03280	0.5
99.00900	0.5
99.04517	5.4
108.02145	0.6
109.02980	0.8
111.08181	0.4
113.06116	1.6
121.03001	0.5
122.03737	0.4
123.00883	0.6
123.04553	3.7
124.01660	0.6
125.02448	5.9
125.06116	0.7
126.02755	0.5
127.03998	0.4
135.04526	0.8
137.02475	0.4
137.06075	0.4
138.03183	0.4
139.04031	3.9
140.04359	2.8
141.01970	1.9
141.04544	1.6
141.05586	16.8
142.05911	0.9
149.02446	0.8
149.06100	0.4
151.00392	1.8
151.04025	0.8
159.76939	0.4
163.04097	0.4
165.01958	0.5
166.02463	0.6
167.03412	0.7
168.04350	0.4
169.01527	0.4
176.17009	0.3
177.05539	0.3
177.16573	0.3
178.06378	0.4
181.97681	0.3
191.07011	0.4
222.08626	0.3
249.18643	0.5
273.18597	3.1
274.19107	0.4
275.19876	0.5
301.18085	2.8
301.21411	0.5
303.23312	8.0
304.23825	1.2
317.21255	5.2
318.21622	0.4
327.23343	1.1
328.23856	1.2
329.24081	9.9
331.22861	0.4
345.24536	0.6
355.19128	0.7
355.22815	8.6
356.23209	1.1
357.20789	0.9
371.54333	0.3
373.23557	100.0
374.24200	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	374.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46169	3.5
61.98836	100.0
70.10291	12.3
71.05009	4.5
85.30813	3.5
119.11346	3.6
124.01636	4.8
125.02433	8.3
139.04033	14.9
195.53850	4.2
208.73334	3.9
311.09552	5.2
374.20505	21.5
375.22049	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	375.0934
Annotation	capsazepine
Peak:m/z	Relative Intensity
50.01302	0.4
51.53788	0.4
55.01875	0.6
57.03455	0.5
59.01380	3.7
67.01875	0.5
68.99820	0.4
69.62369	1.9
71.01382	5.0
72.99306	0.7
73.02939	1.9
75.00887	0.4
76.60098	0.4
79.01884	1.2
79.84418	0.4
80.98727	0.4
83.01400	2.1
85.02966	3.3
87.00890	0.8
93.16720	0.4
95.01389	1.9
97.02942	1.0
97.12411	0.5
98.45349	0.4
99.00847	0.6
101.02454	6.1
107.01398	3.8
111.00895	2.8
113.02454	2.5
113.03172	0.4
119.96719	0.4
123.00895	15.5
124.01669	1.8
125.02454	16.0
127.00354	1.1
136.98808	1.3
139.00394	5.6
140.01187	3.5
141.01901	1.7
151.00385	14.0
152.00705	0.7
153.01962	0.7
160.71268	0.4
161.04576	0.9
168.00648	4.2
169.01439	22.3
170.01709	0.9
253.03349	0.6
313.05722	1.7
375.09329	100.0
376.09689	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
56.08829	0.4
57.03438	0.7
59.01384	4.3
64.38274	0.4
65.00330	0.4
67.01889	0.8
69.58626	0.4
70.16895	1.7
71.01388	5.0
73.02949	1.6
73.17750	0.4
79.01901	0.9
83.01384	2.0
84.13046	0.4
85.02964	4.0
86.00101	0.6
87.61313	0.4
93.30386	0.4
95.01397	2.7
98.20657	0.5
99.00906	0.7
101.02457	4.3
107.01407	3.3
111.00896	2.9
113.02451	1.9
123.00890	15.0
124.01659	1.8
125.02451	12.3
127.00366	1.1
136.98793	2.0
139.00375	6.6
140.01183	4.7
141.01950	2.7
151.00377	11.9
153.01974	0.9
154.99844	0.6
168.00641	5.8
169.01431	15.2
170.01822	0.9
181.04990	0.6
196.90672	0.5
235.73416	0.4
313.05734	0.7
321.92303	0.5
373.11389	100.0
374.11761	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	373.1658
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
57.03457	1.9
59.01392	1.2
65.00305	0.9
67.87037	0.6
70.74981	1.1
70.75317	1.3
81.03466	1.3
83.01405	0.7
93.03458	1.1
95.01388	1.0
107.01379	0.7
107.05013	0.9
109.02929	0.8
109.06593	0.6
123.04519	0.8
124.01673	18.2
124.05309	57.8
125.02499	1.1
125.05646	2.1
137.02458	17.8
139.00398	1.7
139.04019	100.0
140.04344	4.8
151.00371	1.9
151.03957	1.1
152.01143	2.0
153.53235	0.6
163.04018	2.7
165.01936	76.3
166.02420	5.8
175.07654	1.1
177.01959	0.9
178.02670	2.0
179.03517	4.6
180.04228	0.7
181.05083	1.8
193.05064	14.1
194.05472	0.7
215.10704	0.7
217.08672	5.5
218.09094	1.1
233.08205	7.6
233.11836	1.1
248.10591	1.4
249.11298	1.3
280.09665	0.9
315.12323	1.2
355.15869	1.2
373.16574	60.8
374.16891	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	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01890	4.5
57.03447	3.2
58.00587	3.1
59.01385	83.5
60.01718	2.0
61.09552	0.9
69.33138	8.1
71.01390	64.4
72.01716	1.3
72.99323	5.7
73.02956	11.8
83.01407	9.0
85.02959	26.1
86.00076	2.3
86.88154	0.8
87.00874	3.2
89.02452	42.0
95.01419	5.1
98.20623	2.0
99.00881	4.1
101.02452	49.3
113.02457	25.8
119.03506	18.6
125.02457	1.6
131.03531	1.8
143.03548	2.3
144.34021	0.9
149.13348	2.4
159.02927	1.1
161.04579	5.0
167.07187	0.9
170.27757	0.9
179.05653	2.0
193.12367	5.3
249.51726	1.2
297.82770	1.0
327.90488	0.9
355.17630	1.2
373.18698	100.0
373.25317	5.1
374.19009	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78364	0.4
57.03456	8.5
64.22704	0.4
70.03274	0.4
80.96001	0.4
81.03465	2.2
82.24318	0.4
83.01395	10.2
85.02958	0.7
107.01396	1.0
121.02989	1.0
123.04544	1.4
125.02459	100.0
126.02816	3.6
149.02481	1.3
151.00403	0.9
167.03511	2.3
190.63559	0.5
203.14178	0.4
204.31444	0.6
205.16104	0.5
247.17052	3.0
344.61481	0.5
373.20047	4.1
373.23972	4.4
374.75525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.0
59.01374	1.0
65.00333	1.7
65.03036	0.3
69.03437	0.3
71.05027	23.4
72.05363	0.8
73.02943	0.3
73.85824	0.3
79.01878	0.3
81.03463	18.5
82.03812	0.4
83.01393	2.5
83.05034	1.2
84.91871	0.3
85.06595	1.0
93.03460	0.3
95.01380	0.4
95.05080	0.7
97.02952	0.9
97.06605	1.2
98.19747	0.6
99.67749	0.3
105.22062	0.3
107.01378	0.7
107.05048	0.3
109.02897	0.3
109.06593	2.6
111.04561	0.8
111.08173	1.2
121.02927	0.4
122.03732	1.8
123.04534	0.9
123.08189	1.1
124.01654	0.7
125.02462	15.1
126.02781	0.4
135.04561	1.1
136.05312	0.3
137.09688	0.5
143.55595	0.3
147.08221	0.3
149.06123	0.6
151.00359	2.3
151.07732	0.3
152.01190	0.9
153.05580	3.7
163.11282	1.0
166.02756	0.4
168.04044	0.3
175.11281	0.3
179.03482	1.4
187.94682	0.3
190.26430	0.4
191.14465	1.2
193.04942	0.3
203.14439	0.8
205.12370	0.5
217.12323	0.7
217.15932	0.3
231.17535	1.9
233.15524	0.4
245.15483	2.8
245.19119	0.5
257.15622	0.8
261.11465	0.5
273.18619	0.8
287.20087	0.5
289.18036	0.9
329.21243	8.4
330.21564	1.7
331.19052	0.3
341.28711	0.3
355.19040	0.7
373.20212	100.0
374.20566	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	373.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.7
59.01361	1.8
63.63988	0.6
65.00327	1.2
69.18946	0.5
69.63826	3.5
71.05019	0.8
79.01900	0.9
81.03465	15.8
83.01405	3.0
83.05022	1.7
85.06584	2.1
85.32778	0.5
95.01380	0.7
95.05016	2.0
97.02943	1.0
97.06599	1.0
98.19868	0.6
99.00817	0.8
107.01393	1.0
107.05035	0.8
109.06580	4.6
111.04508	2.6
111.08165	4.4
122.03741	0.7
123.04530	12.1
123.08144	1.2
124.04840	0.7
125.02456	22.4
125.09689	1.5
126.02776	0.6
134.81725	0.5
135.04539	0.9
135.08150	1.1
137.09744	1.1
139.04022	1.5
149.09709	1.1
149.45164	0.5
151.00401	2.6
151.04047	0.8
151.07666	0.8
151.11275	5.3
152.01131	1.2
153.05579	15.0
166.02704	1.4
167.02119	1.1
167.03500	19.0
168.03929	1.0
177.09161	0.6
177.12863	1.9
179.03470	2.8
180.04269	0.8
191.14354	1.2
193.05165	0.8
193.12305	0.7
195.06688	0.8
207.06631	1.1
208.78307	0.5
217.12305	0.5
219.13818	1.6
229.08725	1.1
247.09856	1.2
269.19141	0.8
273.18625	0.6
287.20297	0.9
289.18195	0.7
329.21094	4.1
330.21390	0.6
331.19125	2.1
332.43240	0.6
355.19128	1.5
373.20200	100.0
374.20587	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	373.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96966	0.6
57.03438	2.6
59.01378	1.5
69.03471	0.7
69.64062	4.9
70.57261	0.7
71.05032	6.1
81.97195	0.8
82.04355	0.7
83.01410	1.1
83.05025	2.6
85.02962	4.4
97.06554	1.1
98.20606	1.6
99.04536	4.5
107.05018	2.2
109.02955	6.0
111.04526	3.2
122.03752	1.5
123.04581	3.7
124.74221	0.8
125.02458	1.8
125.06082	2.1
127.04021	7.6
135.04489	2.0
137.02483	1.6
143.39406	0.7
147.29352	0.9
149.02385	1.4
151.04033	4.9
152.04732	2.3
153.05598	4.6
163.03981	2.8
164.04799	1.8
165.05544	1.4
167.03526	1.6
177.01955	3.4
177.05611	1.7
178.02745	2.0
178.06320	4.3
181.05067	2.8
191.03615	1.7
193.04994	0.8
196.03787	1.1
205.05081	1.7
206.05867	4.5
209.04578	1.0
217.91490	0.7
219.06712	0.8
221.15506	1.2
311.20251	0.8
313.18152	4.6
317.17596	7.1
327.19543	5.7
328.20093	1.2
329.21310	2.0
331.19153	1.9
355.19138	28.2
356.19696	5.1
358.17789	1.9
371.01752	0.9
373.20175	100.0
374.20575	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03453	0.7
59.01385	3.3
67.01884	1.0
68.99816	0.5
69.67405	0.8
69.67815	1.8
71.01392	3.8
72.99290	0.7
73.02943	1.4
78.59856	0.3
79.01894	1.2
83.01398	1.7
84.13769	0.3
85.02965	2.5
87.00882	0.5
89.02448	0.4
95.01395	1.8
97.02975	0.8
99.00912	0.5
101.02460	4.3
103.61928	0.4
107.01382	2.5
108.80299	0.3
111.00902	2.6
113.02462	1.7
117.05593	0.6
122.71800	0.4
123.00900	15.0
124.01745	1.9
125.02458	11.4
126.02814	0.4
127.00401	0.9
136.98849	2.0
137.00021	0.4
139.00401	6.0
140.01189	4.6
140.19539	0.3
141.01981	2.0
150.99167	0.6
151.00391	12.3
151.04015	0.5
152.00722	0.5
153.01985	0.4
168.00648	4.8
169.01447	17.1
245.03102	0.3
313.05707	0.8
373.11395	100.0
374.11746	10.3
374.16293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.17361	0.5
56.58882	0.5
57.03443	0.8
59.01380	5.0
61.52135	0.5
65.00340	0.7
65.93341	0.5
67.01891	0.9
71.01387	5.8
71.60513	0.8
72.99313	0.9
73.02946	1.9
76.98743	0.5
79.01875	1.0
83.01384	2.4
85.02960	3.8
87.00814	0.8
89.02446	0.7
95.01378	1.9
97.02961	0.8
99.00877	1.8
101.02435	5.7
107.01376	2.9
110.02489	0.5
111.00880	3.5
113.02443	2.7
120.99657	44.1
121.02934	1.0
122.00008	0.9
123.00886	16.4
124.01752	1.5
125.02452	15.5
126.02841	0.5
127.00357	1.0
135.04640	0.5
136.98822	2.4
139.00371	6.0
139.34575	0.5
140.01167	5.3
141.01897	2.1
147.04535	2.4
151.00366	12.8
152.07144	2.0
152.66785	0.5
153.01962	0.9
157.47430	0.5
161.04564	0.7
163.03909	0.7
168.00630	5.3
169.01433	18.8
170.01756	1.1
192.07933	12.4
207.10255	6.0
251.06779	1.0
251.09235	18.8
252.09618	1.3
283.06076	0.6
295.06198	1.5
300.99817	1.8
310.08401	0.8
313.05743	0.9
325.10751	1.0
326.10760	0.7
328.99475	0.7
373.11374	100.0
374.11685	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	371.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33203	0.4
55.01893	0.7
57.03438	1.6
57.93188	0.3
69.45830	0.3
69.68583	2.2
79.01884	2.0
80.02694	0.3
81.03465	0.7
83.05020	1.4
85.06622	0.6
85.62186	0.3
86.06828	0.4
87.04501	1.0
95.05013	1.4
97.02882	0.4
97.06585	0.4
99.08157	4.1
102.13318	0.4
107.05013	1.2
109.02971	0.5
111.04534	0.7
115.65985	0.3
119.21289	0.4
121.06588	1.3
123.04530	0.4
123.08167	19.0
124.08492	0.7
125.65302	0.3
135.04488	0.7
147.08179	0.4
149.06082	2.3
149.13419	0.5
150.06847	0.6
150.19963	0.4
152.04814	0.9
163.07607	0.7
165.09239	2.4
167.07130	11.7
168.07430	0.6
177.09312	0.4
179.03488	1.0
182.05836	0.4
189.05652	1.1
192.95256	0.4
193.05075	1.8
194.05617	0.4
203.14401	1.6
207.06619	3.0
221.08215	0.4
252.47444	0.3
263.06790	0.4
283.52914	0.5
309.22330	0.4
315.16010	0.4
327.19366	0.8
327.23306	14.2
328.23547	2.2
362.64050	0.4
371.22266	100.0
372.22598	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	372.9834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
71.01377	1.5
72.99280	0.5
74.02623	0.4
79.19532	0.4
79.95737	19.0
83.01395	0.4
85.02942	0.6
89.02441	1.3
91.85516	0.4
94.52852	0.4
96.96005	0.6
98.20666	0.8
99.92562	0.6
101.02445	0.8
101.03952	0.4
107.05055	0.8
108.16669	0.4
109.02969	0.6
113.02471	0.4
113.95665	0.3
117.03488	2.1
117.05624	0.5
120.99652	0.8
121.03017	0.4
123.00884	0.5
125.02467	2.0
129.03487	1.2
130.08714	0.9
133.02969	2.1
137.02431	0.5
139.27750	0.4
141.10307	0.6
145.02960	5.2
147.04501	1.4
147.27109	0.4
153.01874	1.0
157.02930	2.6
159.00903	0.4
160.01695	0.7
161.02490	1.0
163.03986	2.2
169.01462	0.8
172.01639	0.5
173.02438	5.0
175.97850	22.3
176.47966	2.0
176.97726	0.8
177.01894	0.8
183.00943	0.5
184.01628	0.5
185.02451	6.7
186.02704	0.4
189.01917	1.6
192.04279	15.7
192.07925	0.5
193.04710	1.9
194.08287	0.6
199.00366	1.2
200.01166	0.6
201.01955	5.9
212.09369	0.6
213.01877	1.1
214.02046	0.4
214.99744	0.4
216.00606	1.0
217.01421	1.4
226.99799	2.2
228.00488	1.0
229.01408	10.4
230.01810	0.9
230.33629	0.4
235.02510	0.6
240.00687	0.4
244.00195	0.7
245.00891	4.3
254.99371	0.6
257.00931	4.0
270.98813	0.5
271.99878	1.9
273.00345	2.3
282.98630	0.8
283.99619	7.3
285.00140	1.6
293.15091	3.8
299.99078	9.1
300.99878	100.0
302.00208	9.9
328.99368	42.6
329.16156	0.5
329.99719	3.6
372.98407	5.1
373.07770	0.7
373.11111	6.8
373.15393	0.5
373.98492	0.9
374.14679	1.1
387.63376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37013	0.6
63.02419	0.9
65.00323	2.8
67.06433	0.7
82.72113	0.6
95.01380	3.9
96.02203	0.9
97.02943	1.4
98.20728	1.4
111.00941	0.9
123.00870	2.0
124.01666	25.1
125.02471	1.5
135.04524	1.1
137.02446	2.5
139.04027	9.9
151.00375	3.8
152.01164	24.6
165.01945	12.1
166.02742	5.5
179.03519	11.9
180.04218	1.7
193.05077	3.2
207.06633	2.7
221.08211	0.9
257.15506	0.9
261.11313	2.3
273.11444	0.8
287.12790	2.4
301.14453	1.1
327.15936	1.9
341.17676	2.0
371.22266	100.0
372.22644	17.5
372.27429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
58.19900	0.7
59.01374	2.6
59.97596	0.6
62.86871	0.6
69.71848	3.0
69.72258	1.5
71.05024	6.2
73.42802	0.7
79.01900	0.6
83.01402	0.7
83.05031	2.2
85.02946	3.9
95.04996	0.9
97.06559	1.1
99.04521	4.6
107.05046	2.3
107.08640	1.3
108.02182	1.1
109.02964	7.9
109.06597	0.8
111.04536	3.0
113.02435	0.9
122.03743	1.6
123.04538	5.4
125.02449	2.9
125.06081	3.1
127.04018	7.9
133.10228	1.5
135.00888	0.9
135.04533	3.6
136.05304	0.7
137.02463	1.3
138.03221	1.3
149.02432	1.8
149.06049	1.5
151.00334	0.7
151.04016	7.4
152.04773	3.6
153.01915	1.7
153.05565	2.7
163.04007	2.9
163.07642	0.7
164.04768	2.9
165.05545	2.0
167.03503	3.0
177.01974	3.6
177.05544	2.7
178.02731	7.1
178.06355	5.3
179.03490	1.0
181.05023	4.4
188.96219	0.7
191.03494	2.6
192.04292	1.1
193.05070	1.7
196.03725	1.7
205.05080	2.0
206.05794	4.2
207.06523	1.1
210.05284	0.7
223.06139	1.0
235.09761	0.7
243.13788	0.9
311.16544	2.1
312.16898	1.0
315.16028	5.0
316.16187	1.1
325.18204	3.5
327.19724	3.3
329.17334	3.5
353.17609	18.7
354.17953	2.4
356.16516	1.5
371.18622	100.0
372.18985	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.1
57.03458	8.8
58.00603	3.2
59.01385	57.7
69.03467	1.3
69.63819	1.6
69.64243	1.1
71.01389	100.0
72.01754	2.1
72.99316	4.4
73.02955	32.8
75.00884	1.6
81.03463	0.6
83.01395	15.5
85.02960	43.9
86.00098	1.0
86.03294	1.3
87.00886	4.8
89.02454	28.1
95.01402	6.4
96.01662	0.5
96.96014	1.1
97.02966	2.5
99.00890	11.7
100.01201	0.4
101.02453	81.6
102.02774	2.3
106.52168	0.4
109.02950	1.0
111.00890	1.2
113.02460	39.9
113.06111	0.5
114.02789	1.4
115.04012	0.7
116.85105	0.4
117.05578	0.5
119.03521	11.2
121.03103	0.4
123.08182	0.7
125.02476	2.5
129.01956	2.3
131.03500	1.7
134.38046	0.4
137.09677	1.4
139.00427	0.6
141.02043	0.4
143.03517	4.6
149.04611	0.9
159.03008	10.8
161.04568	49.7
162.04895	2.0
179.05606	1.4
205.03520	1.6
209.15463	9.0
210.15852	0.8
234.99539	0.5
299.01993	0.7
308.32761	0.5
308.56958	0.5
328.05789	0.6
330.03329	0.4
371.07874	1.4
371.20743	41.8
372.21057	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	371.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
66.91074	0.6
69.58638	3.1
69.59043	0.8
71.05035	4.2
79.01901	1.7
91.00766	0.7
93.03454	0.9
93.93812	0.6
94.83607	0.6
95.05032	12.2
96.05367	0.5
97.02934	1.8
97.06596	0.6
98.20642	0.6
99.93954	0.5
109.02948	0.7
109.06630	0.6
121.02934	1.1
139.04030	14.2
140.04333	0.8
160.00153	0.6
165.01944	2.0
166.02686	1.5
180.04218	0.7
224.55096	0.5
273.18643	0.8
327.23303	12.4
328.23602	2.3
371.22284	100.0
372.22638	13.9
372.26120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70599	0.3
55.01894	0.5
57.03450	1.6
61.16825	0.4
67.80574	0.3
69.55898	2.2
69.56287	0.6
71.05027	5.1
73.02963	0.4
77.03957	0.5
79.01899	3.3
83.05030	0.4
87.34116	0.4
93.03448	1.0
95.05029	16.1
96.05367	0.5
97.02949	2.9
97.06603	0.9
97.54876	0.4
99.29424	0.4
101.23826	0.3
103.23784	0.4
110.78240	0.4
121.02937	2.0
122.03735	0.9
129.20383	0.4
133.10741	0.4
135.04515	1.3
136.05316	0.5
137.06070	0.4
138.03183	0.5
139.04016	15.3
140.04327	0.4
146.50182	0.4
149.06087	0.4
153.76341	0.4
165.01894	1.7
166.02721	1.4
180.04295	0.6
185.91594	0.4
193.05045	0.7
231.17599	0.6
253.98364	0.4
258.36954	0.4
273.18613	1.0
327.23309	17.2
328.23654	2.2
371.22260	100.0
372.22586	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.6
63.02406	0.3
65.00311	0.3
65.68054	0.2
66.46991	0.2
69.68619	1.0
69.69019	0.5
71.70793	0.3
81.03477	1.7
83.01394	10.7
84.01736	0.3
85.02953	0.3
98.20607	0.4
107.01387	0.4
121.02950	0.7
123.04556	1.2
125.02454	100.0
126.02778	3.8
142.66272	0.3
149.02454	1.9
151.00383	0.8
167.03510	2.0
168.03671	0.2
203.14407	0.4
245.15453	2.9
246.15912	0.3
371.18570	3.4
372.18942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.1
65.00320	0.7
69.75299	1.8
81.03466	2.6
83.01389	12.4
98.19830	0.5
107.01374	0.6
112.27221	0.4
121.02979	1.2
123.04544	1.6
125.02453	100.0
126.02782	3.5
149.02457	1.4
150.02818	0.4
151.00320	0.7
160.77397	0.4
167.03560	1.7
167.04845	0.5
203.14429	0.5
222.44646	0.4
224.25215	0.4
245.15486	2.3
247.96237	0.4
260.77991	0.4
371.18527	4.4
371.22379	0.4
372.18958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11993	0.6
55.01865	0.8
57.03437	2.1
58.36699	0.7
59.01373	2.1
69.03471	0.8
69.84203	3.7
71.05026	5.8
79.01892	0.7
81.03474	1.6
83.05026	2.5
85.02962	4.8
95.01376	0.9
95.05048	1.2
97.02955	0.7
99.04545	5.1
107.05008	2.3
107.08593	0.6
109.02966	5.3
109.06618	1.3
111.04548	3.4
113.02486	1.4
121.06606	0.9
122.03773	1.8
123.04550	5.5
123.08179	1.0
125.02448	2.6
125.06065	2.9
127.04031	8.9
133.10271	0.7
135.00835	1.2
135.04533	2.0
136.05290	1.1
137.02431	1.7
137.06067	1.3
147.11737	0.8
149.02452	1.5
149.06125	1.3
151.04031	6.3
152.04796	3.7
153.01955	1.9
153.05630	4.8
163.04001	2.8
164.04811	4.2
165.05519	2.5
167.03510	4.0
167.07147	0.9
169.05081	0.9
173.13499	0.9
177.01955	3.2
177.05522	0.9
178.02713	4.2
178.06342	4.0
179.03535	1.3
181.05060	2.1
191.03513	1.8
192.04266	1.0
193.05084	2.4
196.03810	1.3
196.91737	0.6
197.12489	0.7
201.12704	1.0
205.05028	1.9
206.05823	5.9
207.06506	1.0
219.14024	0.7
243.13814	1.1
297.11398	0.8
298.18530	0.8
311.16541	2.2
315.15988	4.9
325.18082	3.1
327.19641	3.7
329.17651	3.4
353.17599	17.2
354.18002	2.6
356.16058	0.8
364.42151	0.7
371.18613	100.0
372.18936	12.9
377.56573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15901	0.9
53.12598	0.8
54.48794	0.9
57.03453	7.5
59.01371	2.6
65.00334	2.7
65.03960	1.4
69.03460	1.3
70.13295	4.2
73.44775	0.8
81.03460	11.0
83.01395	4.0
83.05040	3.2
95.01406	1.8
95.05042	2.9
95.95275	0.8
97.02937	0.9
97.06607	1.3
98.19882	0.9
106.04217	0.8
107.05037	1.7
109.02920	1.0
109.06564	1.7
110.53107	0.9
111.04612	0.9
111.08245	0.8
119.05029	1.3
121.06592	1.4
122.72429	0.8
123.04537	9.3
124.01674	2.9
125.02454	36.6
126.02764	1.9
131.05038	1.5
135.04520	1.4
137.02509	1.1
137.09718	1.5
143.04932	1.0
145.06531	1.4
147.08151	1.8
151.00388	2.1
151.51164	0.8
152.01164	2.2
153.05566	1.0
163.03983	1.1
166.02647	2.3
167.03503	10.9
171.08200	2.1
173.06087	1.3
179.03484	2.3
189.12766	0.9
215.07112	1.3
241.15897	2.1
267.17618	1.4
283.17004	4.0
285.18610	5.6
286.18964	1.2
287.15997	1.0
309.18637	9.0
310.18784	1.3
324.13577	1.9
327.15985	7.3
327.19702	3.4
335.16660	1.4
353.17587	65.5
354.17923	9.7
371.18604	100.0
372.18958	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.15
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
54.51419	0.5
59.01383	29.4
60.43372	0.5
66.18562	0.6
67.12528	0.4
69.67642	3.4
78.06868	0.5
85.44280	0.5
93.03448	1.6
104.24908	0.5
109.02935	4.3
121.02959	20.4
122.03309	1.1
123.04498	0.7
131.05029	1.1
135.04491	1.2
143.05074	0.7
145.02930	1.2
146.03664	0.6
147.04503	1.3
159.04526	13.8
160.04826	0.7
171.04582	1.0
186.98380	0.5
196.05383	0.6
197.06058	0.7
209.06204	0.7
209.09674	0.7
210.06999	0.6
211.04054	1.1
211.07552	0.8
212.04764	2.4
223.07675	0.7
225.05542	2.2
225.09132	3.1
235.07578	4.9
236.08189	0.9
237.09224	2.2
238.06374	1.2
239.07225	0.8
240.04303	5.8
241.04709	0.7
245.06009	0.6
251.07179	1.5
252.07664	1.1
253.05040	2.1
253.08737	8.7
254.05791	2.2
254.09076	1.2
262.06116	0.8
263.07092	8.4
264.07803	2.1
265.08707	0.5
266.05649	0.8
268.07199	0.6
269.08133	2.2
270.08603	0.8
271.09622	0.8
279.06656	0.9
280.07346	1.4
281.08185	77.3
282.08551	9.1
283.09717	2.1
295.09686	0.7
296.10434	4.4
297.11050	0.8
297.20880	0.5
299.09241	1.4
308.30704	0.6
311.12796	0.6
313.10739	2.9
314.11539	2.2
329.13943	7.4
330.14319	1.5
341.10284	30.1
342.10580	3.8
355.11856	1.3
356.06262	0.8
356.12643	57.2
357.13010	7.0
371.14984	100.0
372.15305	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	371.1864
Annotation	Galbelgin
Peak:m/z	Relative Intensity
57.03444	0.6
57.48457	0.4
59.01387	0.7
63.02395	0.9
65.00336	1.9
69.61261	3.3
79.58718	0.4
81.03459	1.3
83.01399	1.1
85.82124	0.5
89.55582	0.5
95.01382	0.5
105.03496	0.5
107.01381	1.7
107.04974	0.5
123.04548	0.6
124.01682	1.5
125.02448	4.6
135.04533	0.5
137.06081	0.5
139.04010	1.2
148.55438	0.5
151.00372	4.5
152.01077	1.9
153.05655	0.5
156.36845	0.4
161.02470	2.6
166.02643	1.3
176.01152	1.9
177.01888	1.5
179.03484	1.2
189.01895	0.6
190.02730	25.0
191.03384	4.3
195.06607	1.1
203.03505	24.3
204.04153	4.5
205.04895	0.4
217.05032	0.7
257.08090	1.2
278.05057	0.5
278.35883	0.5
281.11609	0.5
283.17114	0.9
299.12885	12.0
299.64890	0.5
300.13223	2.1
322.17007	0.5
327.15970	2.1
327.19571	1.0
335.18631	0.7
353.17596	3.7
354.18054	0.7
371.18634	100.0
372.18961	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	371.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.8
63.53635	1.7
71.01368	4.2
72.99324	2.3
84.99316	7.6
85.02950	2.7
87.00876	5.8
89.02442	1.9
91.05536	13.7
93.03420	1.8
96.95996	5.5
112.98815	83.1
113.99162	3.2
115.05576	2.0
117.03472	8.7
119.05011	3.0
121.02966	100.0
122.03291	1.9
130.99898	1.5
135.04526	33.3
137.02399	1.9
149.06055	4.9
151.00372	1.7
161.06076	7.1
163.04016	30.1
164.04352	1.6
177.05511	7.2
209.11789	1.6
249.04022	3.4
253.03386	2.0
327.07874	2.6
335.78146	1.5
341.10342	3.1
344.55042	1.8
356.12573	1.8
371.07767	5.1
371.15082	2.4
371.24664	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	371.0983
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01866	0.9
57.03438	2.5
58.24282	0.7
59.01381	17.7
60.67533	0.7
66.51920	0.7
67.01909	1.6
68.99826	2.0
69.03437	1.0
70.04998	3.3
71.01388	15.0
72.99311	4.8
73.02948	1.2
73.87993	0.8
75.00876	19.1
76.09433	0.9
81.03471	0.9
83.01376	1.1
85.02959	19.5
87.00876	7.2
89.02460	3.9
93.03428	1.1
95.01417	5.0
99.00892	8.8
103.00391	2.9
108.28999	1.0
111.00909	0.8
113.02455	28.3
114.02802	1.1
115.00361	2.9
117.01957	3.5
121.02961	100.0
122.03277	5.8
126.40290	1.0
129.01917	2.4
147.03088	0.8
157.01443	1.0
175.02475	3.2
179.31638	0.8
189.04080	1.0
231.05106	8.6
249.06149	90.2
250.06538	5.4
254.85728	0.8
286.72153	0.8
311.07706	1.0
353.08853	1.7
371.09827	66.4
372.10187	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	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.56398	0.9
56.05043	0.8
57.03450	3.0
59.01099	1.2
59.01387	16.0
61.72601	0.9
67.93434	1.0
70.19399	3.2
70.42219	1.1
71.01390	17.9
72.99319	5.0
73.02953	2.8
75.00883	17.0
75.71160	0.8
85.02959	19.5
87.00893	6.0
89.02445	4.3
95.01408	6.3
99.00882	10.4
101.02443	1.5
103.00404	2.5
111.00851	1.1
113.01682	1.9
113.02464	28.6
114.02772	1.5
114.89214	1.1
115.00363	2.4
117.01952	1.6
121.02965	100.0
122.03280	4.2
122.06441	0.9
129.01953	1.8
131.96187	0.9
171.32925	1.0
175.02501	4.2
193.03583	2.3
231.05099	4.0
245.73770	0.9
249.06146	22.8
250.06613	1.3
296.61176	1.0
353.08566	1.7
371.09842	62.7
372.09848	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	371.077
Annotation	Quercetin 4'-isobutyrate
Peak:m/z	Relative Intensity
55.18539	0.6
59.01374	2.2
59.92487	0.5
69.03451	0.8
71.01387	0.9
71.16403	1.0
85.02961	0.9
102.00173	0.6
110.02483	1.7
117.05601	0.6
121.02982	0.9
123.00918	1.3
125.02442	1.8
143.04958	0.7
145.06482	0.8
152.03555	1.7
155.05087	1.0
158.03847	0.7
161.02429	0.9
171.04501	1.2
173.06038	0.9
174.06474	0.6
175.04039	1.3
183.04506	1.3
185.06094	0.9
187.03821	0.7
189.01891	0.9
190.02629	0.8
191.03510	1.6
192.00586	1.5
194.61838	0.6
196.05264	0.7
197.06091	0.7
198.03050	0.7
199.03999	1.5
201.02013	0.8
201.05573	1.8
203.03522	1.6
204.00703	0.8
211.04045	2.2
213.01913	1.0
213.05504	0.6
214.02728	2.6
215.03546	1.6
216.00728	0.8
216.04315	1.0
217.01349	0.7
217.04967	0.7
225.05563	0.6
226.02655	1.0
227.03506	19.2
228.04012	2.6
229.01440	1.7
229.05013	5.2
230.02039	1.1
230.99290	3.6
232.00047	1.9
239.03488	1.2
239.07043	0.8
239.10834	1.9
240.04053	0.8
240.08060	0.7
241.05083	1.8
242.02168	1.3
243.03085	1.3
243.06590	1.7
244.00154	0.9
245.00905	4.3
245.04579	2.7
246.01472	1.4
247.02551	1.2
253.05324	0.8
253.08395	0.6
255.02948	3.5
255.06648	4.1
256.03699	2.9
256.06989	1.1
257.04535	6.4
258.01685	2.3
259.02020	0.7
269.00912	2.8
269.04440	2.7
270.05270	1.1
270.15311	0.7
271.02493	2.2
271.06073	1.3
271.09720	0.8
273.04050	2.6
281.01315	0.7
281.08072	0.9
283.02524	2.8
283.06171	2.8
283.09854	4.7
284.03146	0.9
284.06808	1.6
285.00482	3.1
297.07788	0.8
299.05414	1.8
299.09290	2.3
300.09546	0.8
301.03601	9.9
301.07077	1.5
302.04108	1.6
327.04996	3.6
327.08829	8.0
328.09061	1.4
343.08112	3.3
371.07718	100.0
372.08066	14.5
372.12585	0.8
375.26526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59610	3.8
57.03445	9.2
57.08414	4.2
59.01394	34.5
61.98527	5.8
61.98836	100.0
64.55247	3.8
69.42447	33.2
85.02958	23.7
86.03317	5.6
95.04996	5.4
110.11283	3.7
117.46719	4.5
123.04504	10.2
124.01619	9.2
124.04879	6.0
125.02458	20.9
126.97655	4.1
133.77391	4.0
139.04008	34.3
150.68544	3.8
167.03564	4.8
211.34421	4.2
213.09360	3.9
226.35159	4.8
250.11771	4.9
266.14850	5.3
308.15848	12.9
309.13290	4.7
309.84225	4.0
310.13742	31.3
371.14777	7.5
371.18570	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.62594	1.6
69.63001	5.1
70.96501	0.8
81.03464	3.1
82.44380	0.9
98.19846	1.9
125.02427	2.5
212.50781	1.0
221.15366	1.0
232.79636	0.9
263.16537	2.7
307.11969	1.8
307.15536	34.5
308.15854	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	370.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34161	3.6
57.03444	6.3
59.01379	13.5
60.65516	3.3
61.98835	100.0
69.23596	3.5
69.46877	27.4
73.02975	6.1
93.29461	3.9
100.44814	3.4
109.02949	7.1
123.04495	4.7
125.02457	16.5
135.04459	4.6
143.73140	3.4
173.97090	3.9
177.84306	3.5
199.85912	3.6
203.07124	5.0
289.55276	4.1
297.20706	10.4
327.16092	5.8
371.14828	11.7
371.18906	31.1
371.28061	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	370.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30956	4.3
55.50897	4.8
57.02730	4.3
57.03465	5.1
59.01374	18.1
61.98835	100.0
96.96000	5.7
123.00841	4.9
125.02434	5.3
153.05623	5.0
175.07600	5.7
229.20468	5.3
236.85318	5.1
247.02438	4.7
264.55844	5.5
307.15408	12.9
311.12521	5.2
368.52466	4.7
370.13712	8.4
371.21887	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	369.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.3
57.03442	0.3
59.01382	0.3
62.96387	0.2
66.79532	0.2
69.64495	1.6
71.60659	0.2
74.67475	0.2
78.95911	100.0
79.01894	0.4
81.03473	0.5
85.02954	0.6
86.47290	0.3
95.01395	1.2
95.05029	1.0
95.96212	0.8
96.96972	33.9
98.59415	0.2
109.06623	0.3
123.04534	4.4
123.05358	0.4
124.01646	0.3
125.02468	2.2
131.14909	0.3
137.02530	0.3
137.06035	0.4
137.51233	0.3
147.11879	0.4
151.00455	0.3
152.01146	0.4
163.03941	0.3
165.05582	0.5
166.02727	0.6
170.02252	0.3
178.06358	0.3
179.03523	0.6
197.78847	0.2
201.12857	0.3
243.14066	0.4
325.14337	0.4
325.18115	5.0
325.21786	0.5
326.18411	0.7
327.16068	2.8
369.17081	5.1
369.21936	13.3
370.17593	1.0
370.22321	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	369.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58877	0.5
53.93602	0.6
57.03415	0.7
59.01356	0.7
67.52131	0.5
71.04994	0.6
72.81969	0.7
78.95914	7.9
79.01870	0.8
83.05024	0.7
95.01409	0.7
95.05039	1.2
96.96957	2.6
101.30116	0.6
109.02933	2.1
111.04536	3.1
121.02982	0.7
123.04556	0.7
125.02458	0.7
129.06065	0.7
135.04512	1.4
135.08121	1.0
136.05305	0.9
137.02461	4.1
137.06049	0.9
138.03203	2.4
139.03996	1.1
141.35049	0.6
149.02365	0.8
151.04030	1.5
157.06662	0.8
161.09770	0.7
163.03972	1.5
163.11334	1.3
164.04736	2.0
165.01891	0.6
165.05446	1.0
165.12727	0.6
165.55200	0.6
166.02701	1.4
175.04039	0.7
175.11205	0.9
176.04776	1.7
177.05597	1.6
178.06366	0.8
180.04285	0.6
190.06367	1.0
191.03499	1.4
191.07166	0.8
193.05022	1.3
193.12328	3.5
198.77748	0.7
203.03447	0.7
204.04222	1.9
204.07787	0.6
205.05040	2.1
205.08711	1.0
206.05754	0.8
217.05128	1.6
218.05939	0.9
219.06615	0.9
219.10428	0.9
221.08104	0.6
231.06607	2.9
233.08109	1.7
245.08109	0.6
259.09863	1.9
269.19028	1.1
297.22101	0.7
299.12817	1.3
301.10873	0.7
301.14453	2.9
313.14435	1.4
325.21689	9.5
326.21982	1.9
369.20624	100.0
369.24405	12.1
370.21002	17.4
370.24969	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	369.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03434	1.2
63.30137	0.5
71.05022	5.4
73.02948	0.4
77.03954	0.7
79.01892	3.6
83.01405	0.8
93.03474	0.8
95.05029	12.7
96.05344	0.5
97.02950	3.7
97.06585	1.6
109.02975	1.5
121.02968	2.5
135.04445	0.8
137.02390	1.0
137.06094	1.0
138.03230	2.1
139.00269	0.6
139.04019	16.9
149.06055	1.4
151.04103	0.5
157.97368	0.4
165.01927	5.7
166.02721	11.6
167.03085	0.7
179.03618	0.7
180.04294	5.5
181.05002	0.6
191.10817	0.6
193.05067	7.8
194.05711	2.4
198.01706	1.4
207.06635	1.3
221.08165	1.0
222.08965	1.0
226.04842	0.4
229.16080	0.8
233.15521	0.5
269.15549	0.6
271.17276	0.5
276.13458	0.6
325.21744	7.4
326.22073	1.1
369.20694	100.0
370.21036	15.9
377.70428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.6
57.03441	1.6
59.01385	0.8
61.98838	0.6
65.00329	0.3
68.63122	0.4
69.53078	2.5
69.53464	0.8
71.05026	4.8
73.69550	0.4
77.03970	0.5
79.01894	2.2
83.01408	0.5
93.03464	0.9
95.05034	11.8
96.05347	0.4
97.02951	2.7
97.06580	1.2
109.02943	0.7
121.02932	1.3
122.03690	0.5
135.04523	0.7
136.05319	0.4
137.02509	0.7
137.06148	1.0
138.03238	1.6
139.00417	0.4
139.04028	14.3
149.06061	0.8
159.11823	0.4
165.01953	4.9
166.02721	7.4
177.09213	0.4
179.03508	0.9
180.04282	3.8
181.04904	0.5
193.05057	5.2
194.05775	1.7
198.01674	1.4
200.44762	0.4
207.06609	1.2
221.08176	0.9
222.09000	0.9
226.04753	0.5
229.15935	0.7
241.33615	0.4
262.75812	0.5
276.13559	0.6
288.13666	0.4
325.21738	8.6
326.22049	1.4
331.87152	0.4
351.19403	0.5
369.20706	100.0
370.16330	0.7
370.21051	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	369.207
Annotation	Phomoarcherin C
Peak:m/z	Relative Intensity
50.58877	0.5
53.93602	0.6
57.03415	0.7
59.01356	0.7
67.52131	0.5
71.04994	0.6
72.81969	0.7
78.95914	7.9
79.01870	0.8
83.05024	0.7
95.01409	0.7
95.05039	1.2
96.96957	2.6
101.30116	0.6
109.02933	2.1
111.04536	3.1
121.02982	0.7
123.04556	0.7
125.02458	0.7
129.06065	0.7
135.04512	1.4
135.08121	1.0
136.05305	0.9
137.02461	4.1
137.06049	0.9
138.03203	2.4
139.03996	1.1
141.35049	0.6
149.02365	0.8
151.04030	1.5
157.06662	0.8
161.09770	0.7
163.03972	1.5
163.11334	1.3
164.04736	2.0
165.01891	0.6
165.05446	1.0
165.12727	0.6
165.55200	0.6
166.02701	1.4
175.04039	0.7
175.11205	0.9
176.04776	1.7
177.05597	1.6
178.06366	0.8
180.04285	0.6
190.06367	1.0
191.03499	1.4
191.07166	0.8
193.05022	1.3
193.12328	3.5
198.77748	0.7
203.03447	0.7
204.04222	1.9
204.07787	0.6
205.05040	2.1
205.08711	1.0
206.05754	0.8
217.05128	1.6
218.05939	0.9
219.06615	0.9
219.10428	0.9
221.08104	0.6
231.06607	2.9
233.08109	1.7
245.08109	0.6
259.09863	1.9
269.19028	1.1
297.22101	0.7
299.12817	1.3
301.10873	0.7
301.14453	2.9
313.14435	1.4
325.21689	9.5
326.21982	1.9
369.20624	100.0
369.24405	12.1
370.21002	17.4
370.24969	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	369.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92946	0.3
56.27309	0.3
56.93915	0.3
57.03452	9.7
57.03739	0.5
58.03821	0.3
65.00335	0.5
70.02812	0.7
70.03213	0.6
70.53006	0.3
78.95913	33.2
79.01926	0.4
81.03469	2.2
83.01398	10.5
84.01788	0.3
91.35371	0.3
93.03487	0.3
95.01398	0.4
95.96201	0.4
96.96970	11.3
107.01394	0.9
108.02147	0.3
111.04503	0.6
117.03513	0.5
121.02954	0.7
123.04547	2.2
125.02459	100.0
126.02788	3.5
137.02441	0.4
149.02472	1.9
151.00366	1.0
161.02444	1.2
163.11310	1.0
165.01927	0.4
167.03482	2.9
171.41031	0.3
173.13376	1.4
175.04059	0.6
177.01904	0.4
190.02707	1.9
193.12366	0.5
201.57677	0.3
203.03470	1.6
204.04263	1.3
217.05049	0.6
243.13925	2.1
257.08261	0.3
311.12997	0.7
369.16830	3.5
369.20853	17.1
370.17566	0.3
370.21185	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	369.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	12.3
60.38443	0.2
63.02398	0.2
65.00338	0.4
69.73106	1.4
72.07498	0.2
75.72701	0.3
81.03474	2.1
83.01396	8.2
107.01410	0.8
111.16095	0.2
121.02980	0.7
123.04536	1.1
125.02454	100.0
126.02789	3.8
149.02446	1.0
151.00406	0.6
167.03523	2.0
221.41040	0.3
243.13954	1.2
346.85477	0.2
369.16998	2.7
370.17493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1703
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
51.74429	0.5
57.03440	1.8
59.01382	0.8
65.00321	1.0
65.03974	1.0
67.01888	0.6
68.02758	0.5
71.06789	0.5
79.05527	0.5
81.03460	1.3
83.01388	1.5
83.05056	1.1
85.02951	0.6
91.05499	0.6
93.03475	1.0
94.58511	0.6
95.05036	0.6
96.95998	0.8
97.06633	0.7
98.19856	1.4
105.07074	0.5
109.02971	0.9
109.06606	1.2
117.03472	0.7
117.07192	0.6
119.04987	1.0
121.02995	0.9
121.06577	0.6
123.04571	0.8
123.08172	0.7
125.02435	1.5
130.39822	0.6
133.06544	0.8
135.04506	1.3
135.08141	0.7
137.02461	1.2
137.06142	0.7
143.05037	0.7
145.06517	0.8
147.04530	0.6
147.08240	1.1
149.02422	1.0
151.00418	0.6
151.03983	0.7
159.04507	0.7
161.02477	0.8
161.06075	0.7
163.00371	0.8
171.08167	0.6
175.07677	0.6
177.01921	1.0
177.05620	1.3
178.02618	0.6
179.03586	0.7
183.04562	0.5
183.08096	0.6
185.06017	0.5
187.03929	0.7
187.11240	0.7
190.02698	0.6
191.03484	0.9
192.70779	0.6
198.03157	0.6
199.04102	0.7
201.05560	1.0
203.03496	1.6
203.07309	0.8
213.05589	0.5
213.09146	0.7
217.05025	1.0
228.04367	0.5
239.14478	0.9
253.15933	0.6
255.06680	0.6
255.13840	1.1
263.14447	1.0
265.15921	0.6
267.06372	0.6
279.13931	0.6
281.15576	2.9
283.17053	0.8
295.06052	0.9
296.06866	2.5
305.08694	0.5
307.13507	1.1
311.09210	3.7
311.12817	1.0
325.07220	0.7
325.14517	15.9
325.18134	2.2
326.14847	2.0
341.17862	0.6
351.16028	3.6
352.15875	0.7
369.17072	100.0
370.17407	14.6
370.21988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	12.8
58.03796	0.2
63.02406	0.3
65.00322	0.6
68.99829	0.1
69.48352	1.0
79.01931	0.1
81.03465	2.4
83.01394	11.1
83.04999	0.2
84.01739	0.2
93.03484	0.2
98.19884	0.2
99.20541	0.1
105.03568	0.1
107.01435	0.7
121.02969	0.6
123.04524	1.4
125.02454	100.0
126.02789	4.2
133.10240	0.4
136.49944	0.1
142.70676	0.2
149.02437	1.1
151.00372	1.0
165.85793	0.1
167.03503	2.4
196.11345	0.1
201.12880	0.3
243.13908	1.6
244.14076	0.2
316.92673	0.1
369.17023	2.7
370.17517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.2
59.01384	69.8
61.98835	28.8
70.16730	7.6
71.01373	2.5
71.05030	6.0
79.01902	6.5
81.03475	3.1
83.05043	2.1
85.02955	73.0
86.03290	2.5
87.00874	3.1
93.03466	2.5
95.05019	10.7
97.02930	2.5
98.19999	2.2
99.04527	8.6
111.00870	2.9
115.03979	2.0
121.03018	2.3
123.03711	3.3
123.04533	37.8
125.02459	21.6
135.04520	2.1
136.05270	1.9
137.02446	2.2
138.03236	5.1
139.04024	4.1
141.05548	5.3
141.09268	1.9
151.00375	6.0
151.03989	2.4
165.01915	3.3
165.09209	2.0
165.15916	1.7
166.02710	3.7
167.03484	6.4
170.02213	3.8
177.12947	1.6
179.71080	2.5
181.12326	5.4
223.13432	5.3
223.98660	1.7
225.11377	6.7
231.10165	2.5
236.15065	1.6
239.12970	2.0
247.13441	5.5
249.11348	24.6
250.11707	3.2
255.15984	3.0
265.14273	9.5
269.13943	10.4
281.14053	3.4
291.12469	3.3
307.15524	46.0
308.12619	2.0
308.15814	5.4
309.13446	100.0
310.13846	7.0
316.82617	1.7
325.07050	2.8
331.04825	1.8
351.14377	9.6
352.15305	5.9
369.16977	14.2
369.22034	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99568	0.4
55.01877	0.4
57.03431	0.4
58.35177	0.3
59.01385	4.0
61.98837	2.6
71.01383	3.1
72.99299	0.5
73.02958	1.7
79.95760	0.7
83.01414	0.9
85.02956	2.3
87.00892	0.5
89.02471	0.6
90.94847	0.3
93.03438	0.4
95.01384	0.5
96.96026	3.5
97.02949	0.3
98.20646	0.9
99.00901	0.5
101.02449	3.4
109.52676	0.3
110.67597	0.3
111.00923	0.3
113.02429	1.6
117.03474	23.8
118.03817	1.0
119.05040	5.5
120.99641	0.4
121.03008	0.4
123.04496	0.4
125.02436	0.6
133.03008	0.5
135.04510	0.8
137.02481	0.5
139.19301	0.3
145.02957	100.0
145.73732	0.4
146.03302	5.7
146.04359	0.6
149.15720	0.4
151.00388	0.9
161.02473	0.6
161.04567	0.7
163.04021	8.3
164.04359	0.4
174.01682	0.6
175.97870	0.7
192.04384	0.5
207.03046	0.4
261.00354	0.7
281.08505	1.5
289.16791	0.4
355.80405	0.4
369.02295	1.0
369.11905	39.7
370.12265	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	367.901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.0
60.01725	2.3
60.38145	0.8
61.98835	100.0
69.54138	5.2
87.92567	1.6
103.92049	7.3
104.27836	0.6
104.92842	1.4
108.28835	0.8
109.86118	0.7
119.44722	0.7
123.94698	0.9
130.94376	2.3
140.54210	0.7
145.96785	0.9
147.94666	2.0
150.92567	1.5
160.58932	0.7
163.94183	1.1
165.95695	2.9
166.93869	1.0
167.06122	0.8
175.85014	0.9
190.96512	12.1
191.96779	1.7
192.95938	1.3
193.86005	4.0
193.89700	0.9
193.93947	9.1
193.95729	0.8
193.96353	0.7
194.95622	2.5
195.87741	1.5
207.96831	3.4
210.90036	1.1
210.92972	1.2
211.87189	0.8
217.00305	0.8
232.97586	3.1
234.97740	0.8
235.90945	1.0
235.95058	10.4
235.97453	2.2
237.88844	2.3
277.88196	10.9
278.88293	0.9
279.89761	4.0
281.92590	1.0
283.80206	1.8
321.90918	2.5
325.91806	2.3
326.91486	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	368.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85493	0.5
59.01384	0.7
61.77018	0.6
61.98833	100.0
70.53001	0.5
95.14429	0.5
98.19858	1.8
109.02972	0.6
114.77193	0.5
117.05589	1.4
125.02480	3.8
137.02487	1.5
139.04115	0.6
165.01962	0.9
167.03500	0.5
179.03427	0.7
197.54488	0.6
205.05064	1.3
219.06677	0.9
222.68866	0.6
230.43094	0.8
242.97516	0.6
294.26715	0.6
305.06729	5.0
306.07120	0.6
325.05750	0.6
330.02670	0.7
369.02859	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	369.119
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
55.01892	0.5
57.03454	0.5
58.00604	0.4
59.01381	4.3
61.98823	2.4
69.03485	0.3
69.51453	0.8
69.51868	1.9
71.01391	4.0
73.02962	1.3
76.27254	0.3
79.95752	0.9
83.01407	0.9
85.02947	2.1
89.02462	0.6
93.03429	0.4
95.01373	0.4
96.96012	4.3
99.00861	0.5
101.02460	3.3
107.08797	0.3
113.02451	1.6
117.03473	23.6
117.60423	0.3
118.03824	0.8
119.05023	5.9
125.02507	0.3
135.04547	0.5
137.02397	0.5
145.02957	100.0
146.03308	6.7
151.00392	0.9
153.32135	0.3
161.02399	0.7
161.04524	0.8
163.04010	7.7
174.01723	0.7
175.97844	1.0
192.04263	0.5
223.08269	0.8
261.00366	1.0
269.00766	0.5
281.05292	0.4
281.08398	0.5
307.08197	0.4
369.11896	38.3
370.12112	4.6
388.31418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1916
Annotation	Quercetol B
Peak:m/z	Relative Intensity
59.01369	1.1
65.00346	1.3
69.87891	3.1
87.57600	0.5
87.71761	0.5
95.01379	0.8
97.02998	0.7
98.20674	0.8
107.01369	1.0
117.03498	2.5
121.02960	1.0
123.00954	0.6
123.04544	0.6
124.01675	1.7
125.02493	1.0
131.05063	0.9
133.02853	0.6
134.47131	0.7
135.04483	0.9
137.02455	1.3
139.04053	2.9
145.02945	0.8
146.03741	0.6
147.00887	0.7
149.02402	1.5
151.00395	2.7
152.01053	0.7
161.02473	8.2
162.02994	0.9
165.01932	5.1
174.03253	1.8
175.04033	7.0
176.01184	0.9
177.01929	1.3
177.09146	1.0
189.02002	1.7
190.02737	11.9
191.03542	2.5
202.02713	0.8
203.03523	9.8
204.04277	22.3
205.05005	4.8
210.01662	0.7
215.07147	0.7
217.05063	10.9
218.05646	2.4
229.08698	0.7
231.06570	0.6
236.03197	0.9
243.06599	0.7
257.08209	1.6
271.09796	1.1
276.99500	0.5
281.80356	0.6
297.11328	2.1
309.11273	0.7
311.13049	0.7
323.12939	2.5
323.20120	1.3
337.14456	1.2
351.15811	0.7
367.19162	100.0
368.19510	16.0
368.24185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	1.4
65.00318	1.2
71.01385	3.8
73.02948	1.5
74.99107	1.2
79.95769	0.7
83.01411	0.8
85.02951	1.6
89.02477	2.3
96.96008	4.5
98.95606	1.0
101.02467	3.9
107.01406	1.2
110.58965	0.7
112.98846	0.6
113.02480	2.2
114.38161	0.7
119.03510	1.0
125.02467	1.4
135.04541	9.1
145.03036	1.9
151.00395	12.4
151.01540	0.8
159.02916	0.6
161.04596	3.1
169.01500	0.7
170.74017	0.6
197.16119	0.6
287.05676	6.2
288.06256	0.9
307.17633	9.0
367.01147	6.2
367.10574	1.7
367.14450	1.4
368.01660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2127
Annotation	Platenolide B
Peak:m/z	Relative Intensity
51.50173	0.4
57.03452	7.7
59.01378	1.4
65.00333	2.0
69.63194	2.5
72.73773	0.5
81.03465	17.1
83.01395	7.0
83.05045	0.6
85.02962	0.9
95.05054	0.5
97.06601	0.8
98.20612	0.8
99.04529	0.9
107.01431	0.9
107.05060	0.8
107.70432	0.5
109.02931	0.6
109.06602	0.7
113.74714	0.4
119.05073	0.4
123.04520	2.7
125.02459	78.9
126.02795	3.2
133.06602	0.7
135.04521	0.8
137.02452	5.1
141.12889	4.8
151.00357	1.2
151.04044	4.6
155.14436	0.7
163.04016	0.9
167.03525	1.2
171.13919	0.5
179.03499	0.6
185.15498	1.6
221.19255	0.7
224.29243	0.4
292.50446	0.5
323.22324	0.6
349.20325	3.4
367.21246	100.0
368.21576	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	367.2126
Annotation	Platenolide A
Peak:m/z	Relative Intensity
53.00781	0.5
55.10711	0.4
57.03453	9.3
59.01383	3.5
65.00031	0.5
65.00332	2.0
68.60380	0.4
69.03455	0.8
69.62162	2.6
70.87116	0.5
73.02966	1.1
81.03466	18.5
82.03819	1.1
83.01401	8.8
83.05039	1.3
85.02957	15.4
87.00878	4.4
93.03465	0.8
95.05016	0.7
97.02950	0.7
97.06597	1.6
99.04532	1.7
100.58467	0.5
107.01395	0.8
107.05032	1.0
109.06605	0.7
111.00929	0.8
118.61385	0.5
122.03850	0.5
123.04528	2.3
125.02454	100.0
126.02773	3.6
133.06624	0.9
135.04510	1.1
137.02441	3.4
139.03958	0.5
141.12888	3.8
143.03514	1.5
151.00383	2.3
151.04033	2.5
151.07661	0.9
155.14534	0.6
167.03552	2.7
172.36806	0.5
177.05577	1.0
185.15485	1.0
221.91634	0.5
223.17058	1.1
225.18480	0.6
267.19681	6.4
268.19998	0.9
305.21249	0.6
307.19128	5.3
308.19687	0.6
309.07785	0.5
349.20181	1.8
367.21268	96.7
368.21576	15.4
368.26096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03469	2.4
58.00602	1.3
59.01388	18.1
61.98840	2.1
67.01879	1.0
68.99809	1.8
69.03485	1.4
70.60915	0.8
71.01392	18.3
71.05030	23.8
71.59480	1.4
72.99323	5.6
73.01166	2.1
73.02971	2.3
75.00884	16.0
78.95904	0.9
81.03480	1.6
83.01411	2.1
83.05032	1.2
85.02956	15.9
87.00892	14.1
87.30749	0.8
89.02460	5.5
93.03500	1.3
95.01403	4.2
96.96028	9.6
96.96985	1.6
98.95609	3.9
99.00894	8.2
101.02438	2.5
101.12443	0.9
103.00383	1.3
103.04041	4.0
105.01937	7.2
111.00909	1.5
113.02470	18.5
114.02769	1.1
115.00421	1.9
117.00160	1.6
117.01981	2.7
117.05593	100.0
118.05920	2.9
119.03516	2.7
129.01965	1.2
130.06688	1.3
131.03471	0.8
144.04576	5.5
146.02527	3.0
153.01927	1.1
158.06171	1.3
159.06654	1.2
161.04599	1.1
162.05656	1.0
175.02513	2.5
176.07254	0.9
204.06747	1.1
231.05165	4.3
249.06172	81.0
250.06555	5.2
263.07736	1.3
285.06158	1.0
329.97162	0.8
349.01038	3.3
358.19702	0.9
367.01953	4.2
367.12518	60.1
368.13028	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	367.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55736	0.2
57.03456	0.6
59.01373	0.6
59.82954	0.2
65.00323	1.3
66.07439	0.2
69.37008	2.0
72.99278	0.3
79.95748	7.6
80.96530	3.0
83.01393	0.8
84.58437	0.2
87.04545	0.6
91.34140	0.2
96.96021	100.0
97.95900	0.4
107.01413	2.3
109.02980	0.3
121.02965	0.9
121.40592	0.2
122.03768	0.2
124.18237	0.2
125.02450	1.5
135.04539	9.7
136.04866	0.4
139.11357	0.5
141.12910	0.4
147.08168	0.9
148.05318	0.7
149.02570	0.3
151.00391	13.2
152.00713	0.5
163.07678	0.4
163.11281	0.5
169.01523	1.1
175.11403	0.3
177.12907	0.4
185.11873	2.0
186.12262	0.3
187.11299	0.8
189.09230	0.5
190.42348	0.3
205.12358	6.5
206.12744	0.5
215.12883	2.5
243.10428	0.3
257.17661	0.4
261.00488	0.3
269.17538	1.9
272.50070	0.3
275.01971	0.5
287.05667	5.5
287.18726	0.3
288.05951	0.7
291.08243	0.4
299.99075	0.5
300.99945	1.0
335.31555	0.2
367.01346	6.6
367.14307	43.5
368.00873	0.4
368.05090	1.0
368.14630	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
57.03459	4.5
57.06724	0.8
58.00587	2.8
59.01382	67.9
62.52598	0.8
69.03448	1.3
69.49843	6.6
71.01386	73.0
71.05023	7.8
72.00175	0.7
72.99318	4.7
73.02950	22.2
75.00888	1.4
76.13073	0.8
79.95727	0.9
83.01389	16.0
85.02956	29.3
86.00137	0.9
87.00885	4.0
87.04516	1.2
89.02448	34.9
89.24009	0.8
95.01387	3.1
96.96013	10.7
97.02944	2.1
98.95575	1.0
99.00896	9.7
101.02449	71.9
102.02755	1.6
103.04018	2.1
111.00890	6.5
113.02459	23.9
115.04034	1.4
116.99004	0.7
117.05583	36.3
119.03481	0.7
125.02462	5.3
129.01955	1.6
131.03520	26.0
141.46352	0.9
141.81679	0.9
143.03490	4.2
149.04556	7.4
159.03012	4.5
161.04568	20.3
233.06642	3.4
235.11871	100.0
236.12180	6.6
367.00897	2.9
367.10828	6.3
367.16049	71.2
368.16373	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	367.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41915	1.3
55.01886	2.3
57.03453	10.1
59.01371	3.1
69.03468	1.3
71.05025	10.8
71.59306	2.3
73.02925	1.5
79.01897	7.9
81.03474	10.4
83.01373	2.0
83.05023	3.2
85.02956	65.6
86.03315	1.1
87.00870	4.1
95.01388	1.5
95.05032	9.5
95.42036	1.0
97.02958	2.6
97.06573	3.0
99.04539	9.5
107.05028	1.0
108.02197	1.5
114.68224	0.9
115.04012	1.7
121.02928	2.1
122.03702	1.9
123.04530	31.8
124.01706	1.3
125.02455	33.6
125.09712	1.1
126.89232	1.0
129.41995	1.0
135.04530	1.8
135.11382	1.2
136.05309	1.8
138.03281	5.2
141.05586	6.4
149.02446	1.2
151.00389	6.9
151.04066	1.0
165.01952	1.3
165.05582	1.7
166.02704	4.7
167.03552	6.0
170.02226	1.7
177.05458	1.5
179.03450	2.1
179.14255	1.0
197.15573	1.1
199.13358	1.3
223.13403	8.8
225.14964	2.3
235.16956	2.9
245.15593	5.9
249.14986	1.2
251.12830	1.5
253.18053	3.3
259.16907	1.8
261.14774	1.1
262.15698	1.3
263.16507	32.9
264.16821	3.4
267.15979	12.6
277.18063	1.5
279.15982	4.2
287.16574	3.0
288.16797	1.1
289.14407	3.3
293.13907	1.8
305.14001	1.4
305.17569	28.2
305.21118	1.5
306.14789	1.7
306.18005	3.1
307.15518	100.0
308.15912	10.8
321.17059	3.9
323.18625	1.7
349.16495	9.7
350.17303	9.5
351.17566	1.1
367.17465	3.3
367.21420	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	367.0127
Annotation	Scensidin
Peak:m/z	Relative Intensity
60.77180	0.6
63.02407	1.7
65.00326	9.3
70.56241	0.6
79.95748	0.8
83.01384	4.9
83.07928	0.7
89.71297	0.7
96.47168	0.6
98.20699	1.3
107.01398	17.4
108.01723	0.9
108.99297	0.9
109.02974	2.5
125.02459	5.4
134.03755	0.8
135.04532	71.9
136.04871	6.1
151.00380	100.0
152.00694	3.8
190.08377	0.7
215.00073	0.8
224.40440	0.7
229.47636	0.9
254.18027	0.8
269.04367	0.9
285.87158	0.7
287.05630	45.0
288.05984	5.3
298.39841	0.7
367.01282	44.4
368.01648	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	367.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	1.6
63.66325	0.5
65.00331	9.6
78.06341	0.5
79.53033	0.5
79.95794	0.4
83.01403	3.2
84.81055	0.4
93.60601	0.4
98.20618	1.4
98.67319	0.5
107.01394	16.7
108.01758	0.8
109.02969	1.5
121.38292	0.4
125.02454	4.7
134.03748	0.7
135.04533	70.9
136.04871	3.5
151.00380	100.0
152.00702	4.2
161.02397	0.7
169.01414	0.8
177.01924	0.8
215.00166	1.5
229.32356	0.6
287.05618	46.5
288.05997	5.1
367.01266	47.2
368.01669	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	367.013
Annotation	Scensidin
Peak:m/z	Relative Intensity
57.03437	0.7
59.01374	2.1
63.02395	1.4
65.00323	7.5
67.06268	0.4
69.70061	1.1
69.70475	2.3
71.01396	1.1
71.48347	0.5
83.01396	3.6
85.02997	0.5
93.89542	0.4
96.96015	2.7
107.01405	16.8
109.02962	1.7
121.06576	0.7
125.02462	4.9
134.03806	0.7
135.04536	71.4
136.04855	4.1
137.02493	0.6
145.02925	0.7
147.08110	0.8
151.00383	100.0
152.00713	4.0
161.02466	1.7
163.11292	1.3
169.01430	1.1
171.64435	0.4
173.60587	0.5
175.11237	3.9
177.01927	1.1
187.11285	2.1
190.09862	0.5
205.01503	0.6
205.12332	14.8
206.12724	0.6
212.93967	0.5
215.00175	0.9
233.00929	0.7
269.04541	0.6
287.05634	52.3
288.05984	4.9
307.18451	0.4
367.01291	52.0
367.13834	2.6
368.01566	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	367.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.64639	0.4
57.03444	0.6
58.00602	1.0
59.01385	8.2
64.59863	0.4
65.03972	3.3
68.22823	0.4
69.03461	1.2
71.01386	9.6
71.05028	0.5
71.09315	0.7
71.09644	0.6
72.99294	0.7
73.02940	3.2
76.10490	0.4
79.95744	3.3
80.50768	0.4
81.03471	0.9
83.01408	1.9
83.05037	6.2
85.02955	13.9
86.03280	0.5
87.00896	0.6
87.04519	1.6
89.02451	4.3
89.17310	0.4
95.01416	0.6
95.95244	0.5
96.96017	100.0
97.02913	0.5
97.06557	0.6
98.95579	0.5
99.00888	1.3
100.85225	0.4
101.02451	8.1
103.24400	0.4
111.00866	0.6
111.04549	0.5
113.02448	3.0
113.40493	0.3
115.03980	0.4
117.03464	0.9
117.05592	0.8
119.05046	0.9
123.08152	0.7
125.02449	0.9
127.04018	1.1
131.03552	2.1
134.03749	8.6
135.04538	0.7
136.99153	0.4
139.59581	0.4
141.09213	3.8
143.03503	0.6
149.04539	0.8
149.06091	0.4
151.00375	1.5
155.10849	0.9
161.04527	3.0
163.03995	0.9
167.03539	0.4
175.97827	1.0
191.05627	0.7
192.04286	0.6
193.05074	10.2
194.05360	0.6
207.13953	1.3
235.11876	12.2
235.14113	0.8
236.12265	0.8
262.09113	0.7
287.05621	1.1
287.15012	2.0
323.11758	3.5
339.01486	0.9
367.01227	2.8
367.10706	69.1
367.15915	7.2
368.11041	7.1
368.16052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
59.01385	15.5
61.98842	7.7
67.01875	1.3
68.99837	1.5
69.03464	1.7
69.47837	5.4
71.01395	15.5
71.05030	24.5
72.99316	5.4
73.02955	1.0
75.00883	15.2
83.01402	1.4
85.02960	16.7
87.00890	7.5
89.02448	4.7
93.03473	1.2
95.01391	4.6
96.96038	1.4
98.19939	1.7
99.00906	7.7
101.02435	1.2
103.00410	1.9
105.01940	1.9
109.03005	1.1
111.00870	1.0
113.02465	18.2
115.00360	0.8
115.04001	0.9
116.05105	0.8
117.01959	3.4
117.05590	85.0
118.05944	2.6
118.78289	0.8
119.03525	1.6
129.01988	1.9
144.04561	7.6
146.02478	3.3
158.06082	1.1
175.02483	2.0
176.07219	1.3
204.06607	1.6
231.05083	4.3
243.91136	0.9
249.06168	100.0
250.06488	5.5
322.54266	0.9
367.12469	56.5
368.13126	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	365.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49562	100.0
101.49953	12.5
141.88368	14.0
176.02469	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	366.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
61.98835	100.0
65.10871	1.0
69.48315	8.0
71.01391	1.2
77.90738	1.1
96.96004	17.1
107.01394	2.4
119.05045	2.3
125.02472	3.2
135.04514	5.5
151.00378	8.5
161.02547	1.3
163.03906	1.9
169.01352	1.6
174.01625	1.1
179.07214	1.1
215.08371	1.0
221.38368	1.1
224.41818	1.1
235.26837	1.2
287.05609	3.4
287.18692	1.4
304.99271	1.3
331.02597	1.2
367.01166	8.1
367.14203	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48664	0.7
58.00586	1.1
59.01382	23.3
62.48835	0.6
64.40939	0.6
71.01386	11.4
71.60638	1.0
72.99311	4.0
73.02938	1.3
75.00890	3.6
79.95747	1.7
83.01408	1.2
85.02969	3.0
87.00884	2.4
89.02444	7.0
90.75811	0.6
95.01375	1.0
96.96013	2.8
98.95618	0.8
99.00871	1.1
101.02465	5.2
103.04030	0.7
107.01387	2.0
109.02966	0.8
113.02458	3.1
116.05065	8.8
117.05535	2.8
118.05907	0.8
119.03511	2.3
122.76045	0.6
125.02464	0.8
128.05049	2.0
130.06639	2.3
134.20238	0.6
135.04527	4.2
142.06625	100.0
143.06984	6.2
144.04550	0.7
145.02946	1.5
151.00369	6.2
158.06126	11.6
164.73730	0.6
167.03442	0.7
168.05144	0.6
186.05609	47.2
187.05922	2.6
200.98459	0.7
204.06650	29.4
205.07001	1.9
237.06056	0.8
246.07660	1.8
287.05750	2.9
354.43268	0.6
366.11911	67.4
367.01154	4.6
367.12283	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	366.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04322	3.4
61.98837	100.0
66.54816	3.4
71.61667	5.4
73.38287	3.6
95.01383	5.6
125.02431	12.0
125.45998	3.6
151.00388	6.7
197.81198	3.6
200.74867	3.8
216.38640	4.0
239.55322	4.1
303.16043	37.3
304.16406	6.1
366.23642	9.3
367.19034	6.5
367.23135	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2334
Annotation	Dendronpholide C
Peak:m/z	Relative Intensity
54.05371	0.4
55.01885	1.0
57.03467	3.3
59.01381	2.1
62.67430	0.5
63.81319	0.5
65.95493	0.4
71.05029	9.8
71.61585	0.8
77.03971	0.7
79.01904	2.8
83.01427	0.7
85.02959	2.1
90.28843	0.5
93.03447	0.6
95.05040	14.5
96.05377	0.5
96.82202	0.5
97.02971	8.3
97.06615	0.8
103.03548	0.5
109.02971	0.6
109.06628	0.9
113.02493	0.8
121.02970	2.2
121.06627	0.9
122.03727	1.7
123.08195	1.2
124.01629	1.2
137.06094	1.8
139.04028	67.6
140.04379	2.2
147.08214	3.0
149.06090	0.9
151.04041	2.5
152.01173	1.0
157.66711	0.5
165.00624	0.5
165.01964	1.6
165.05595	1.8
169.16013	4.7
170.16296	0.6
193.05008	1.0
204.04153	0.6
279.23404	0.7
303.23483	0.7
305.16815	0.5
321.24393	1.5
336.31915	0.5
347.22299	1.7
347.84799	0.7
350.25998	0.5
365.23352	100.0
366.23700	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	365.2333
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
58.48184	1.6
59.01370	2.7
69.54961	1.6
70.13332	1.3
71.05022	4.0
71.61096	1.7
73.07186	1.5
83.05024	2.3
85.02950	1.9
87.00867	6.9
96.96027	1.8
99.04515	3.0
107.05049	1.9
109.02955	7.8
111.04523	2.5
115.32317	1.5
123.04510	3.1
127.04044	9.3
133.22554	1.5
149.02411	2.3
151.04062	7.5
152.04774	3.3
153.05614	2.1
167.03485	1.9
196.18350	1.9
211.20647	2.1
221.11996	1.7
221.19099	1.6
237.18578	5.6
277.21649	2.1
303.23325	7.3
305.21194	7.5
306.21848	2.7
309.20718	7.2
319.22739	6.9
320.23041	2.9
321.24274	4.5
347.22266	31.8
348.22632	5.0
350.20929	2.7
365.23309	100.0
366.23724	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	365.197
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
51.21846	0.6
53.24026	0.5
57.03448	9.3
59.01392	3.3
59.36681	0.5
59.74577	0.6
65.00333	1.8
69.03455	1.4
69.49722	1.4
69.50132	3.2
81.03457	13.5
83.01388	7.2
83.05039	0.5
93.03458	1.5
95.01398	1.8
95.05027	1.3
97.02969	0.8
99.04525	0.6
107.01421	1.9
107.05080	0.7
109.02971	0.6
109.06600	2.7
111.04556	1.5
123.04531	42.8
124.04843	2.0
125.02454	81.5
126.02810	3.2
135.04530	5.0
141.12852	2.6
151.00360	5.6
151.04065	1.0
151.07649	6.4
155.14470	1.3
167.03503	54.3
168.03932	3.1
179.03500	24.3
180.03894	1.5
185.15480	2.1
199.13733	0.6
249.27271	0.6
305.21161	1.1
347.18640	3.4
365.19672	100.0
366.20023	11.7
371.07318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
59.01376	8.1
67.58663	2.2
68.91263	2.1
69.49667	13.1
69.50078	4.4
71.05037	5.3
79.01897	26.0
81.03464	5.3
85.02959	92.8
87.00880	3.2
95.05032	16.0
97.02907	2.7
99.04518	9.1
99.98354	2.4
104.16697	2.7
111.00917	2.8
118.04733	2.2
122.03780	2.5
123.04537	70.9
124.01679	7.4
124.04849	2.9
125.02446	28.3
134.47948	2.0
138.03268	3.3
139.04054	4.0
141.05598	17.5
149.02454	3.3
151.00351	23.4
151.03915	3.8
152.01173	2.4
156.00754	3.0
156.35568	2.2
163.00371	3.7
165.01996	3.1
166.02754	3.4
167.03491	8.8
175.03938	5.2
179.14427	4.0
188.04790	2.7
191.03477	4.3
203.03581	3.6
204.04266	24.1
205.01494	3.5
205.04927	5.2
217.05075	30.0
218.05716	7.0
221.15503	13.3
233.19098	3.4
238.47591	2.4
238.51808	2.2
261.18582	8.4
265.18097	4.9
283.47220	2.4
285.18423	3.7
287.16479	3.3
303.19687	33.4
304.20059	5.1
305.17599	100.0
306.17932	13.4
307.67200	2.7
325.61377	2.6
347.18686	9.6
348.19379	8.2
355.91281	2.7
365.17444	52.2
366.17953	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	365.1968
Annotation	Anhydrocinnzeylanine
Peak:m/z	Relative Intensity
55.01871	1.4
57.03447	1.6
59.01382	51.6
70.92555	1.2
70.92896	1.4
71.01341	0.8
79.01893	2.4
80.96519	3.5
83.01369	1.1
85.02960	1.3
85.06584	4.3
85.51145	0.9
91.05546	1.0
95.05018	2.4
96.96024	1.3
97.02953	2.6
97.04488	0.8
107.05054	1.2
109.02969	1.0
109.06586	5.7
111.04517	5.9
125.02470	5.6
133.02979	1.0
135.04503	3.0
139.03999	1.0
141.01909	0.9
151.04021	1.6
151.07625	1.3
153.05606	20.6
154.05887	1.4
165.05600	1.8
176.04727	1.6
179.03522	2.9
180.04158	0.8
187.27010	0.9
193.05048	1.2
193.12393	1.7
194.05827	2.3
202.99921	1.1
205.01433	1.5
205.08766	2.9
205.15974	2.5
207.06682	4.2
230.99387	1.3
259.85620	0.8
261.18610	17.9
262.18851	1.7
277.18051	2.3
287.16583	1.9
305.17603	100.0
306.17899	11.7
309.31979	0.8
323.18597	3.8
355.00317	0.9
365.19647	58.3
365.23065	3.0
366.19968	8.5
366.24045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1606
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
57.03454	0.6
59.01385	3.6
69.03443	1.9
71.01391	0.8
79.01901	1.5
81.03452	1.9
85.02935	0.8
95.01394	2.8
96.96035	0.6
97.02950	2.2
98.19828	1.3
102.01199	0.5
107.01391	2.4
109.02958	0.5
109.06604	0.5
111.00870	1.9
111.04551	0.9
123.00887	18.9
123.04469	0.6
124.01726	3.6
125.02454	53.6
126.02831	2.6
126.03633	0.5
127.00349	0.7
127.88548	0.6
136.98740	1.1
138.03212	1.2
138.87759	0.5
139.00366	5.7
139.04015	7.1
140.01167	2.5
141.01935	2.7
151.00378	25.0
152.00908	1.5
153.05612	4.7
165.01912	0.7
166.02718	0.8
167.86288	0.5
168.00618	0.8
169.01434	35.1
170.01776	1.5
179.03459	0.7
181.01398	0.8
183.13872	3.3
193.05046	0.8
195.13948	3.7
205.01488	0.5
213.14964	21.9
214.15297	1.9
229.07779	0.6
305.13870	1.8
321.16919	1.0
321.24213	0.9
347.15021	12.6
348.15268	1.4
365.15973	100.0
366.16290	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1969
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
55.01898	0.5
57.03466	2.4
59.01096	0.6
59.01384	8.4
65.00328	0.6
69.42851	4.2
71.01393	0.5
71.05024	6.4
73.02959	0.7
77.63686	0.4
79.01918	2.4
79.76683	0.5
81.03465	0.8
81.45148	0.5
83.01405	1.6
83.05009	0.7
85.02963	4.1
85.06569	1.0
87.00875	1.2
95.05037	11.1
97.02951	3.7
97.06596	0.5
99.04519	0.8
109.02957	2.2
109.06585	1.1
111.00890	0.5
111.04520	0.8
113.02430	0.7
118.54597	0.4
121.02968	1.5
122.03738	0.9
123.04506	1.6
125.02444	5.3
127.04029	2.6
133.38187	0.5
134.58615	0.4
135.04491	0.8
136.05309	1.3
137.02452	0.8
139.04027	38.1
140.04387	1.5
151.03987	1.1
153.01935	0.6
153.05583	4.5
154.05931	1.3
155.06024	0.6
162.07205	0.6
164.01172	6.1
165.01917	2.0
166.02684	1.0
167.03485	0.9
169.05215	0.6
177.01900	1.2
180.04282	0.6
192.04317	0.6
193.05006	0.7
193.12329	1.3
205.01540	0.5
205.15883	0.8
219.17545	3.7
220.18028	0.6
223.17010	0.6
230.99422	0.8
233.19150	0.5
261.18597	8.4
262.18936	1.0
265.18121	1.9
287.12827	0.7
287.16763	0.5
302.97952	0.6
305.13895	1.4
305.17584	3.3
321.20728	0.7
323.14880	0.8
347.14996	3.0
347.18692	0.9
360.61362	0.6
365.15988	10.0
365.19748	100.0
366.16205	2.0
366.20084	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	365.1969
Annotation	Ingol
Peak:m/z	Relative Intensity
57.03440	2.4
59.01382	4.1
60.39574	0.6
69.49262	2.1
69.49686	2.4
71.01379	0.5
71.05035	5.0
81.03464	2.3
83.01400	0.6
83.05020	2.8
85.02957	2.8
85.06551	0.9
93.03458	1.1
95.01382	1.3
96.96020	1.2
97.02981	1.4
97.06646	1.4
99.04527	4.1
104.91457	0.6
107.05041	2.5
109.02941	4.9
109.06581	3.3
109.26812	0.6
111.04521	2.1
113.02464	2.2
121.02966	1.0
122.03733	2.1
123.04525	7.0
125.01645	0.7
125.02418	3.0
125.06094	5.7
127.04032	8.3
127.11266	0.8
129.82550	0.5
131.05025	0.7
133.06602	0.9
135.00949	1.0
135.04517	2.4
135.08223	1.1
137.02490	0.9
138.03239	0.8
147.08171	1.9
149.02426	1.6
149.06068	1.7
150.03198	1.3
151.04022	8.6
151.07713	0.6
152.04796	2.6
153.01945	1.5
153.05576	7.3
153.12831	0.6
163.07616	1.4
167.03407	1.0
169.05083	6.8
171.08183	0.6
173.06079	1.8
174.06898	0.7
175.03964	3.0
177.01924	2.2
177.05499	1.3
178.02689	6.9
179.03386	1.3
187.07664	0.7
189.05501	1.1
189.09203	3.8
190.06325	3.1
190.09389	0.7
191.07144	2.6
202.31134	0.6
203.03517	0.9
205.08687	1.5
207.03036	0.9
215.07222	0.9
218.05737	0.7
233.08189	2.3
237.15010	2.3
277.87891	0.7
289.17899	0.8
303.16016	1.6
303.19489	0.7
305.17401	3.2
309.17206	4.0
319.19083	3.4
321.20932	1.1
323.18671	1.9
333.17114	6.2
347.18634	25.0
348.18854	2.9
350.13718	1.2
350.17505	1.5
365.19687	100.0
366.19949	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	365.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
59.01386	36.7
60.01712	0.6
60.08278	0.5
65.75129	0.5
65.89514	0.5
68.99828	0.5
69.55289	4.2
71.05030	4.1
75.24541	0.6
83.05041	1.4
85.02960	3.8
95.01372	0.7
97.06585	0.5
98.20602	1.1
99.04527	5.0
107.05022	1.6
109.02966	5.6
111.04517	1.5
113.02466	1.1
120.03651	0.6
123.04509	2.4
125.02427	1.3
125.06071	2.5
127.04018	7.6
135.00870	0.8
137.02419	1.0
149.06111	0.7
150.03223	0.8
151.04033	3.6
151.35992	0.6
152.04774	2.1
153.05576	2.9
153.09180	0.7
164.04758	2.7
167.03497	1.5
177.01877	1.5
177.05643	0.6
178.02725	2.1
178.06291	1.3
180.00638	0.8
180.15738	0.5
181.01291	0.6
181.05060	0.7
182.02078	0.7
192.04144	0.7
206.05920	0.9
237.11411	1.0
243.13802	0.7
245.11844	2.7
246.30473	0.6
246.33453	0.5
247.50392	0.6
249.11282	2.3
259.13388	1.9
261.14963	1.1
263.12817	1.2
279.16003	0.7
283.91675	0.6
287.12912	10.8
288.13242	2.0
303.16156	0.7
305.14050	5.0
309.13492	5.1
309.16708	0.9
319.15601	3.9
319.18909	0.9
321.16934	1.1
323.15033	1.1
343.41840	0.6
347.14996	24.0
347.18643	2.3
348.15155	2.6
350.13696	1.7
365.16013	100.0
365.19711	5.8
366.16382	13.8
366.20593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23223	0.5
59.01389	5.3
63.80740	0.4
71.01398	0.8
71.37899	0.7
73.02938	0.6
79.95748	1.1
80.05373	0.4
80.96524	0.8
89.02457	1.5
92.05057	0.8
93.03448	3.5
96.96024	13.4
97.01124	0.4
113.02476	0.7
115.07678	0.6
115.91581	0.5
117.03468	4.6
119.05039	100.0
120.05359	5.1
130.06627	0.7
131.03748	1.3
132.01335	0.5
132.04573	1.8
133.02910	0.5
144.04556	1.2
145.02975	20.7
145.04066	1.8
146.03235	0.9
146.04907	0.9
157.07721	21.5
158.06120	1.2
158.08066	1.4
160.04044	1.7
163.04056	3.4
169.01462	0.6
171.05598	0.7
177.01843	0.7
179.05606	0.7
183.05626	7.7
184.06065	0.7
199.05150	5.7
201.06728	3.6
205.01411	0.6
230.99457	1.2
237.81934	0.6
245.05608	1.1
246.09245	2.1
250.08682	1.3
262.08704	2.3
265.07315	0.5
271.07220	5.3
272.07721	0.5
280.09836	1.3
285.10312	1.2
285.17218	0.5
293.12955	3.4
303.11404	19.2
304.11679	2.6
321.12460	10.0
322.12613	1.5
347.10391	23.6
348.10571	3.4
365.12027	11.7
366.12228	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	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36933	0.9
57.03447	4.2
58.00606	1.2
59.01384	59.3
68.57527	0.8
69.03465	2.4
69.33735	7.2
71.01386	19.6
71.05022	1.1
73.02952	32.6
74.99107	2.1
83.01391	12.2
85.02957	28.0
86.03246	1.0
87.00887	1.8
87.04509	1.2
89.02449	9.7
95.01369	1.2
96.96021	5.5
97.02927	1.8
98.20605	1.4
99.04505	3.3
101.02450	29.8
101.06063	1.6
102.18012	0.9
103.04015	55.1
113.02462	11.6
117.05585	52.4
118.05899	1.8
119.03490	5.2
120.99660	1.5
125.02508	1.1
131.03549	1.7
136.99132	3.2
145.05049	3.0
159.06635	5.8
161.04544	2.7
189.07674	1.2
210.99217	1.6
247.08199	6.9
261.09766	1.3
265.09296	22.4
266.09647	1.2
279.10873	1.9
307.10349	33.5
308.10651	2.3
321.11786	1.4
347.13422	3.6
365.14493	100.0
366.14868	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	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01380	7.8
59.97899	0.7
60.13490	0.6
61.74563	0.6
69.72952	2.7
69.73373	1.6
71.01382	5.6
71.05029	15.8
71.09184	0.7
72.99272	0.7
73.02956	1.0
75.00880	1.0
76.59707	0.7
85.02949	8.6
89.02457	3.0
92.12100	0.6
94.71767	0.7
96.96021	0.9
99.04515	2.1
101.02451	1.9
103.04027	22.1
113.02445	1.1
117.05591	100.0
118.05942	2.6
119.03514	1.3
131.07164	1.7
132.18341	0.6
145.05086	0.9
159.06633	3.2
189.07655	1.2
247.08260	11.3
265.09341	3.0
365.14532	50.2
366.14920	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	365.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78185	0.4
55.01894	0.4
57.03449	1.3
59.01385	32.8
60.01716	0.4
64.31646	0.3
65.03977	0.4
69.03462	0.6
71.01386	0.4
71.04636	0.3
71.05026	6.2
71.32452	0.4
80.25973	0.3
81.03471	0.7
83.01380	0.8
83.05014	1.9
85.02957	2.8
95.05064	0.4
97.02969	0.8
97.06593	0.7
99.04519	4.9
104.65884	0.3
107.05048	1.8
108.02179	0.3
109.02972	4.8
109.06620	0.8
111.04532	2.3
113.02460	0.8
117.08152	0.3
121.06649	0.3
122.03737	0.6
123.04555	2.6
125.02476	2.2
125.06120	1.8
127.04020	7.4
128.04391	0.6
135.04541	0.9
135.08153	0.8
136.05286	0.6
137.02463	0.7
149.02467	0.9
149.06111	0.4
150.03224	0.7
151.04033	4.4
152.04810	2.0
153.01988	0.6
153.05612	2.4
153.09222	0.9
154.02753	0.4
161.09715	0.4
163.04080	0.6
164.04796	2.7
165.05527	0.5
167.03532	1.4
169.05092	1.1
169.12296	0.4
177.01898	1.9
177.05641	0.8
177.09250	0.8
178.02689	1.4
178.06367	1.9
179.03503	0.5
181.05043	0.5
182.02208	0.7
191.03493	0.6
191.07162	0.5
192.04294	0.7
192.07930	0.4
193.05072	0.7
193.12350	0.7
196.03722	0.5
197.05421	0.3
201.13020	0.5
205.05115	0.5
206.05902	2.0
207.06523	0.4
217.12402	0.4
237.11377	1.0
243.13936	1.1
245.11800	3.8
246.12413	1.1
249.11296	4.9
259.13428	4.3
260.13464	0.5
261.14999	2.1
263.12811	1.8
269.12057	0.4
271.09732	0.3
279.16019	0.4
287.12897	20.2
288.13327	1.8
290.11609	0.6
305.13968	9.9
306.14462	1.2
309.13437	3.4
319.15482	3.2
321.17017	1.1
323.14954	1.7
346.72366	0.3
347.15005	20.0
348.15390	2.1
350.13806	2.2
365.16049	100.0
366.16394	13.4
366.19919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40312	0.4
53.57983	0.4
54.58828	0.4
54.85340	0.4
59.01389	1.0
64.98611	0.4
69.71513	1.9
69.71922	0.7
71.01373	1.5
72.99287	0.6
79.95735	3.5
80.96521	3.8
85.02947	1.9
87.00866	0.6
89.02450	0.4
95.95213	0.5
96.96013	100.0
98.19981	0.5
98.24519	0.4
101.02457	0.4
101.97843	0.4
108.00159	0.4
108.02186	3.2
109.02959	3.5
113.02477	0.9
120.04610	0.5
138.97087	0.9
138.98732	0.6
150.97064	1.4
152.01164	3.2
153.01956	6.1
166.96581	0.5
176.93312	0.4
187.79572	0.4
192.97952	1.0
209.12308	0.5
210.99170	21.6
211.99606	0.7
285.06152	10.1
286.06519	0.7
321.02838	7.2
322.03024	0.8
347.00766	49.1
348.01151	4.5
365.01822	56.6
366.02170	4.8
382.65384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
61.98819	7.4
68.88368	1.9
71.01375	6.4
71.58863	2.3
72.00896	9.0
81.02912	2.1
90.45539	2.2
90.61478	2.0
92.05070	67.6
93.05376	3.2
95.47434	2.2
96.96017	4.6
100.04057	60.2
121.71486	2.0
133.02971	2.9
136.04056	24.0
136.94026	3.9
140.07196	3.4
176.07094	3.5
196.46764	2.1
222.95222	5.5
233.12959	41.9
234.13223	2.6
247.87170	3.2
248.86981	6.8
251.14081	8.2
255.85995	2.7
256.36035	5.3
256.85938	27.6
257.35916	13.2
257.85843	5.6
277.12012	9.3
280.87949	9.5
287.84827	2.5
292.84488	4.0
293.34567	8.0
293.84338	34.6
293.87378	3.8
294.34509	9.5
294.84100	10.2
296.83829	3.7
297.83615	2.1
322.89151	9.4
324.81775	7.6
332.82294	3.4
333.32339	9.3
333.82162	33.9
334.32254	13.6
334.82028	6.4
342.82617	6.8
364.29538	21.9
364.79477	100.0
365.29453	39.2
365.79370	35.4
366.29126	2.8
373.29776	2.8
373.79971	8.4
382.80661	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	363.2542
Annotation	18-Acetoxy-cis-clerodan-3-ene-15-oic acid
Peak:m/z	Relative Intensity
57.03438	2.4
59.01371	2.1
66.72728	0.6
67.01878	1.5
69.42757	0.5
69.89894	0.5
71.61053	0.9
81.03458	0.9
81.12571	0.5
82.20315	0.6
83.01417	0.9
83.05025	1.5
85.02922	0.6
95.05029	1.8
97.06604	1.2
100.96383	0.6
105.98257	0.6
111.08177	1.8
111.72565	0.6
113.09749	1.6
122.61252	0.6
123.00887	0.7
124.01664	6.3
125.02406	1.8
139.04028	17.4
140.04340	0.9
152.01138	3.0
164.66096	0.6
165.12833	4.8
167.03496	0.7
179.03528	1.6
181.15897	0.8
187.14980	0.8
193.04976	0.8
205.15979	87.1
206.16357	7.0
207.13918	5.5
208.14192	0.8
277.25281	2.3
279.23303	0.7
301.25403	1.3
305.14352	0.6
319.26349	10.0
320.26816	1.4
321.24432	1.7
327.57324	0.7
339.50632	0.6
363.21677	10.5
363.25461	100.0
364.22067	1.5
364.25824	14.0
364.30096	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	363.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96968	0.2
57.03453	2.1
59.01384	1.3
65.00333	1.6
67.01884	0.3
70.73592	0.2
70.74683	0.6
70.82428	0.3
71.05019	0.2
80.02680	0.5
81.03462	22.8
82.03808	0.7
83.01394	2.1
84.63381	0.2
93.03480	0.3
95.05022	1.5
97.02954	0.3
107.01382	1.6
121.02953	0.4
122.03754	3.4
125.02458	6.7
135.04515	0.5
139.04019	0.8
151.00391	2.0
152.69138	0.2
157.44948	0.2
162.03186	0.5
166.02759	0.3
169.82520	0.2
173.15819	0.2
237.22127	0.4
253.25258	0.5
255.23199	1.1
265.21683	0.3
277.25354	6.2
277.28308	0.5
278.25696	0.7
279.23297	8.6
280.23718	1.0
291.26932	0.3
301.25339	0.4
319.26419	44.9
320.26779	7.4
345.24365	0.7
363.25412	100.0
364.25769	15.4
364.30496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46114	0.6
70.29301	2.0
71.55714	0.5
73.02932	0.5
79.01913	3.4
85.06599	4.0
97.02969	1.7
107.05038	1.0
109.06601	7.9
110.06953	0.6
111.04541	5.1
135.04539	2.8
151.04025	0.6
153.05592	23.5
154.05879	1.8
179.03529	1.6
194.05370	0.6
209.19020	0.5
225.22141	0.6
251.20250	2.8
263.23746	4.7
264.24222	0.5
307.89456	0.5
317.24747	0.9
319.26425	22.0
320.26825	2.7
345.24380	1.1
363.25418	100.0
364.25763	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33049	0.6
55.62154	0.6
59.01376	1.9
70.26682	2.9
71.01396	1.5
73.02952	0.8
75.12594	0.6
78.95906	1.1
79.95739	4.0
80.79483	0.7
80.96541	3.3
85.02936	1.7
87.00909	1.1
96.96021	100.0
96.97010	2.7
100.04053	0.7
108.02170	3.6
109.02959	8.2
113.02460	1.4
122.97610	0.8
137.02383	0.9
138.97093	0.7
150.97121	1.7
152.01160	4.8
152.98686	0.9
153.01958	18.3
154.02312	0.9
191.03691	0.8
191.05658	2.6
192.98143	1.2
194.99693	1.1
210.99191	24.6
211.99544	1.0
285.06171	17.3
321.02905	7.7
324.63165	0.7
347.00793	55.0
347.56610	0.7
348.01062	5.3
365.01846	69.3
366.02191	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	363.2176
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
57.03454	1.1
63.02390	0.6
65.00333	2.1
69.78632	2.4
71.66582	0.4
73.90053	0.4
83.01400	0.7
87.69910	0.4
93.03443	0.7
93.74437	0.4
95.01385	3.1
97.02975	1.1
100.12525	0.3
105.03479	0.8
107.01508	0.3
107.05035	0.6
107.37509	0.4
109.06628	0.4
111.04552	1.9
115.25871	0.4
121.02985	0.6
122.03744	0.5
123.00904	0.7
124.01672	38.3
125.02473	0.8
132.61060	0.4
133.06592	0.7
135.04518	1.8
136.97313	0.4
137.02463	1.8
137.06078	0.9
138.03255	4.0
139.04027	88.0
139.44742	0.4
140.04358	3.3
146.84921	0.4
148.01700	0.7
149.99623	0.5
151.00421	3.7
151.04001	1.1
152.01170	6.5
153.01733	0.4
163.04007	1.5
165.01915	2.7
166.02722	15.6
169.16017	1.0
170.28532	0.4
177.02016	0.5
177.05571	1.0
178.02736	0.9
179.03513	28.1
180.03877	1.3
181.05080	15.8
182.05359	0.8
187.02664	0.4
193.05066	5.3
194.05487	0.6
249.07727	0.5
282.87854	0.4
319.15518	0.4
331.19177	0.8
363.21786	100.0
364.22141	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	363.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55636	0.3
55.01889	0.4
57.03450	5.2
59.01372	1.2
60.14758	0.3
65.00329	0.5
69.03462	1.2
69.51662	2.2
71.05025	8.3
79.01904	2.5
81.03467	1.3
81.33968	0.3
83.01385	1.8
93.03470	1.6
95.01398	0.4
95.05032	19.8
96.05386	0.7
97.02948	4.2
107.05041	0.9
109.02959	1.0
109.06588	2.0
110.66241	0.3
111.04558	0.6
119.05019	0.4
121.02955	2.1
122.03755	2.9
123.08163	3.0
124.01640	0.6
125.06055	0.5
135.04520	1.0
137.06090	27.6
138.06451	1.4
139.04019	45.0
140.04369	1.8
149.06122	2.3
152.01112	0.4
163.03999	1.0
165.01949	3.7
165.05569	0.7
165.09209	14.5
166.09550	1.0
169.15973	6.2
170.16383	0.4
175.03984	0.6
179.03627	0.5
181.05072	28.1
181.16025	0.4
182.05385	1.8
191.07063	0.5
193.03300	0.6
193.05055	12.1
194.05466	0.6
195.17709	0.5
203.44559	0.3
223.17041	0.5
278.38257	0.3
345.20819	1.7
358.88687	0.4
363.21774	100.0
364.22128	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	363.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30169	0.4
57.03454	3.5
57.24427	0.4
59.01391	1.0
63.72519	0.5
69.71768	2.2
69.72176	1.0
71.05033	6.1
73.88035	0.5
77.03994	0.5
79.01902	2.6
81.03452	1.2
83.01389	1.3
83.05035	6.8
85.02963	23.8
86.03288	0.6
93.03436	0.9
95.05037	25.1
96.05367	0.6
97.02956	4.6
98.20601	1.0
98.78492	0.4
99.08141	0.6
101.03780	0.5
107.04988	0.5
109.02922	0.8
121.02969	1.0
121.84736	0.5
123.04521	1.9
123.08190	4.6
124.01670	1.5
124.08545	0.5
133.06589	0.6
137.06136	0.5
137.09731	5.2
139.04031	30.1
140.04373	1.8
141.12891	0.8
149.06091	0.7
152.01202	1.2
155.14407	1.9
159.09988	0.4
161.09729	2.0
163.07654	1.0
165.01974	2.5
165.09233	1.3
166.02713	0.5
167.07143	4.6
168.07506	0.6
179.10838	2.4
181.05077	0.8
193.12332	1.2
205.08682	4.7
209.08205	0.9
209.19055	0.6
221.19104	1.4
221.43216	0.5
223.17073	4.5
247.17151	0.8
247.35310	0.6
259.20795	0.6
275.20135	1.4
301.21841	1.0
319.22769	2.1
345.20743	4.6
363.21750	100.0
363.25494	9.3
364.22076	13.8
364.25916	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	363.2178
Annotation	Isolineolon
Peak:m/z	Relative Intensity
55.01884	1.0
57.03449	1.2
59.01379	3.9
65.00336	0.6
69.90270	2.3
71.05024	15.5
79.01882	0.6
83.01397	1.8
83.05019	0.6
85.02934	1.1
85.06616	0.7
86.45907	0.4
95.01379	0.6
95.05012	2.2
97.02958	6.7
97.06612	1.6
108.02129	0.8
111.04533	0.7
111.08154	1.0
113.06110	3.4
121.02919	0.7
121.06570	0.6
123.04440	0.5
124.01641	0.7
124.05331	0.6
125.02425	0.6
135.04492	1.0
137.02457	0.5
137.06093	1.8
139.04016	100.0
139.07623	1.5
140.04356	4.3
141.05588	8.9
142.05898	0.5
162.73688	0.4
163.04024	1.7
165.01909	1.5
165.05579	1.4
166.06348	1.7
178.06367	2.4
179.07123	1.5
179.14441	0.5
181.05011	2.9
183.06657	0.4
192.07964	1.0
197.15474	0.8
221.15501	3.1
223.17059	5.4
262.79642	0.5
293.17474	0.9
301.21664	0.9
303.19595	0.7
304.20447	1.2
305.17661	1.2
317.21402	1.1
319.19260	1.0
319.22635	3.4
320.23184	0.5
321.20761	3.0
345.20795	0.7
363.21756	31.1
363.25327	1.5
364.22205	4.3
364.26260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25875	0.4
57.17781	0.4
58.17107	0.5
63.02421	0.7
65.00327	8.4
69.86566	0.8
69.86985	1.8
83.01379	1.1
89.00340	1.6
91.01899	1.5
93.03421	0.6
95.01393	1.2
95.05040	2.3
97.02956	5.8
107.01417	1.1
107.32156	0.4
108.02187	0.5
109.02951	1.0
111.00885	0.5
119.05067	1.1
121.02952	3.8
123.00866	1.3
124.01670	11.2
125.02503	0.9
135.00911	0.5
137.02452	9.8
137.06090	1.9
139.04024	23.9
140.04387	1.2
145.06633	0.8
149.02448	0.5
149.99612	2.5
151.00349	2.3
152.01170	7.0
153.01688	0.4
161.06102	0.9
163.00334	0.5
163.04012	2.0
165.01939	33.2
166.02386	2.3
177.01941	20.8
178.02182	0.7
179.03650	0.5
189.05510	0.5
191.03520	1.8
193.05084	0.6
194.46733	0.4
205.05058	10.4
206.05658	1.1
221.08211	6.5
222.08502	0.6
235.06039	0.6
291.12482	0.5
317.28442	0.5
319.22922	0.5
331.19299	1.0
347.18704	1.0
363.21768	100.0
364.22131	14.0
364.26672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47213	0.3
56.52245	0.4
57.03439	0.6
59.01381	0.5
59.64386	0.3
63.02394	1.2
65.00326	2.7
69.03457	0.8
69.10545	0.4
69.60522	1.0
69.60951	1.3
71.04985	0.5
72.09695	0.3
79.01898	0.3
79.45834	0.4
81.03457	1.1
83.01376	1.7
89.00327	0.4
91.01895	0.6
93.03467	1.3
94.82774	0.3
95.01388	3.3
95.05025	1.0
97.02958	1.2
107.01402	1.0
107.05044	0.4
111.04521	2.6
120.99992	0.3
121.02953	0.9
123.00877	1.4
123.04518	2.0
124.01671	16.5
125.02480	7.5
126.02746	0.4
135.04509	2.9
137.02455	2.8
138.03192	1.6
139.04022	34.9
140.04361	1.1
149.06035	0.4
149.09714	0.4
149.99565	0.4
151.00385	5.2
151.03999	1.7
152.01163	9.9
153.01782	0.4
164.01109	0.9
165.01933	6.7
166.02722	7.7
167.03499	4.5
168.32780	0.3
171.88803	0.4
173.09705	1.0
179.03505	39.6
180.03928	2.7
181.04904	0.4
193.01431	1.1
193.05060	2.6
193.56105	0.4
194.05495	0.4
205.12372	0.4
212.03145	0.4
217.08623	0.4
233.08200	1.9
234.08986	0.8
235.09789	0.4
242.02864	0.3
249.11284	5.2
250.11772	0.4
263.09323	1.8
263.12048	0.3
277.10873	0.7
278.43872	0.3
321.17047	0.5
331.19211	3.3
332.19556	0.5
363.21783	100.0
364.22095	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	363.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45356	0.4
57.03462	0.4
60.22159	0.4
63.02403	0.8
65.00329	9.3
68.02650	0.4
81.03450	0.8
83.01402	1.0
89.00346	2.6
91.01892	2.9
92.06565	0.4
93.03466	1.0
95.01392	1.2
95.05031	1.9
97.02958	8.5
103.23767	0.4
105.68898	0.4
107.01398	0.6
109.02951	0.9
113.66696	0.4
119.05041	1.0
120.03817	0.4
121.02957	4.3
123.00912	0.7
124.01667	24.3
125.01979	1.2
135.00926	0.5
135.04491	0.9
137.02440	8.8
137.06082	2.1
139.04019	77.3
140.04369	5.1
141.04549	0.6
149.99573	3.1
151.00378	1.8
152.01161	4.8
161.06110	0.8
163.00444	0.5
163.04034	1.3
165.01939	37.6
166.02419	1.8
177.01927	17.9
178.02299	1.0
179.03520	0.5
180.03931	0.6
183.02980	1.1
188.04773	0.6
191.03482	1.6
193.14528	0.4
204.31548	0.4
205.05051	9.7
206.05801	0.6
221.08203	2.3
235.06230	0.7
249.07578	0.5
331.18915	0.5
347.18539	0.5
363.21750	100.0
364.22083	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	363.1816
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
57.03452	8.6
59.01374	1.2
64.96957	0.4
65.00325	0.6
66.26637	0.4
68.97610	0.5
69.48228	4.0
69.64475	0.5
76.07757	0.5
78.96793	0.6
79.01904	0.9
81.03465	4.7
83.01402	9.6
85.06595	13.7
93.03497	0.5
95.05057	0.9
97.02972	1.4
98.20632	0.9
107.01395	0.8
107.05091	0.6
109.06599	4.4
111.04500	2.7
116.29136	0.5
121.03003	0.8
123.04537	13.8
124.04921	0.7
125.02456	100.0
126.02811	3.2
139.04042	1.6
149.02492	0.7
151.00357	2.2
153.05585	70.0
154.05942	3.6
165.12799	0.9
167.03508	28.0
168.03830	1.4
207.13890	4.9
219.17503	3.4
237.14993	5.9
238.15337	0.9
252.90192	0.5
275.20154	8.8
276.20438	1.1
309.55655	0.5
319.19162	3.5
319.22382	0.5
345.17157	3.4
363.18140	47.2
364.18488	6.6
367.35559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1816
Annotation	Cinncassiol C2
Peak:m/z	Relative Intensity
53.26764	0.7
57.03421	1.5
58.80549	0.5
59.01384	24.5
65.00330	2.8
67.01857	0.6
69.03442	1.3
69.47138	1.4
69.47543	3.9
70.85160	0.6
71.04989	0.8
79.01868	0.7
81.03424	1.4
83.01396	1.1
85.02943	1.5
89.00301	0.7
91.01858	0.5
91.21158	0.5
93.03401	0.6
95.01367	3.0
95.05030	2.9
96.05333	1.1
96.95978	0.6
97.02912	2.5
111.04504	1.2
113.09675	1.8
114.10005	1.5
116.57006	0.6
121.02943	1.2
123.00835	2.3
124.01671	38.3
125.02501	2.9
135.04401	0.6
137.02367	2.4
138.03194	1.8
139.04021	21.3
140.04297	2.5
141.04512	0.9
148.50792	0.6
149.06059	0.9
149.99611	1.1
151.00427	3.5
151.03917	1.2
152.01160	38.9
153.01457	1.9
153.05492	0.7
163.03841	0.7
164.01070	0.8
165.01932	6.9
166.02705	6.8
170.16617	0.6
177.01782	0.6
179.02101	0.9
179.03496	14.4
180.04111	1.1
191.10791	1.5
193.04970	2.4
207.06586	0.9
221.08014	1.7
227.14374	5.1
235.09737	3.6
245.15346	2.7
259.16919	1.6
288.13611	0.9
289.11411	0.8
289.14478	15.0
290.14688	2.0
303.15991	31.8
303.19333	1.1
304.16385	3.6
304.85953	0.6
305.14041	4.2
306.14182	0.6
321.17078	29.3
322.17365	3.9
363.17874	100.0
364.18222	13.9
364.25146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15018	0.4
55.01899	0.5
57.03455	3.6
58.62893	0.4
59.01389	2.5
65.00316	0.6
70.17426	1.2
70.17841	0.9
71.05028	3.3
77.03981	0.5
79.01891	4.3
81.03461	1.5
83.01387	0.6
83.05061	0.5
85.02961	3.9
88.33969	0.4
91.57299	0.5
93.03477	1.0
95.01389	0.4
95.05035	8.4
96.05424	0.4
97.02959	3.2
99.08163	1.4
107.05022	0.9
107.33279	0.4
109.02958	0.8
109.06615	2.6
111.04563	0.8
113.02464	0.9
120.79395	0.4
121.02995	2.1
122.03752	1.7
123.04519	0.8
123.08164	4.1
124.01655	1.1
125.02435	1.7
127.11260	0.4
135.04547	0.5
135.08150	1.1
137.06111	3.2
138.03313	0.5
139.04021	17.1
140.04347	0.8
141.01947	0.6
145.61967	0.4
149.06107	3.8
150.06833	0.7
151.04024	0.6
151.07684	0.9
161.09767	0.4
163.11284	1.8
165.00697	0.5
165.01924	2.4
166.02603	0.7
167.07138	8.1
178.95189	0.5
179.03539	2.1
181.05070	1.5
190.10089	1.0
193.05019	4.2
205.12349	7.4
206.12805	1.0
231.10406	0.7
249.11330	2.8
301.57932	0.4
319.22772	1.4
320.23138	0.6
321.17111	1.1
345.20618	0.8
363.21790	100.0
364.17838	0.9
364.22147	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	363.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03448	2.5
59.01372	1.8
61.98830	0.4
71.05021	4.5
71.61788	0.4
73.01718	0.5
74.23962	0.4
77.03991	0.5
79.01892	2.9
81.03463	1.1
83.01404	1.1
83.05003	0.5
85.02947	2.7
90.10701	0.4
93.03461	0.6
95.01415	0.5
95.05033	10.8
96.05399	0.5
97.02950	3.0
99.08192	0.7
107.05026	0.9
109.02974	1.1
109.06600	3.1
111.04505	0.5
113.02457	0.8
113.09722	1.1
114.74414	0.4
121.02982	1.6
122.03735	2.2
123.08152	1.2
124.01646	1.0
125.02442	1.6
135.04504	0.5
136.05344	0.5
137.02422	0.5
137.06091	4.2
138.03209	0.4
139.04025	20.5
140.04376	1.0
141.01996	0.8
141.05621	0.6
149.06091	1.7
150.06734	0.5
151.07655	1.1
152.01120	0.4
163.11310	1.9
165.01932	2.0
166.02698	0.9
167.07124	2.3
176.04747	0.6
179.03508	1.1
181.05090	1.7
190.10045	1.0
193.05023	1.9
205.12355	6.1
206.12648	0.7
221.15450	0.6
247.09975	0.4
249.11266	2.5
287.43710	0.4
319.22726	1.9
321.17157	0.7
345.20868	0.7
363.21786	100.0
364.17758	0.9
364.22113	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	363.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.2
58.03773	0.3
59.01385	2.1
65.00317	0.6
69.03479	0.2
71.05020	1.3
71.59138	0.3
72.14830	0.3
81.03466	2.6
83.01392	11.0
85.02968	1.0
93.03452	0.3
95.05029	1.2
96.96030	0.3
97.02954	0.6
99.09562	0.3
105.03475	0.3
106.88831	0.3
107.01427	0.8
109.06591	0.6
121.02960	0.9
123.04539	1.6
125.02454	100.0
126.02792	3.1
137.02452	0.4
137.06088	0.3
139.04022	10.3
140.04359	0.4
149.02455	1.3
151.00404	0.8
153.05649	0.6
165.01845	0.2
167.03516	2.3
178.45412	0.3
181.05095	0.5
185.46983	0.3
193.12318	0.4
199.11427	0.3
199.13306	0.3
223.13379	0.3
237.11327	3.0
309.13489	0.6
345.17276	0.5
363.14413	2.5
363.18237	6.5
363.21536	0.4
364.14685	0.5
364.18640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
57.38549	0.2
59.01383	10.9
71.61781	0.4
78.95882	0.4
79.95747	2.2
85.02932	0.2
96.96017	100.0
97.95930	0.3
125.02472	0.5
139.04013	0.4
146.87454	0.2
184.00302	0.3
225.02847	0.3
283.16113	0.3
283.19186	5.5
284.19446	0.6
301.14899	1.4
303.12708	1.1
357.11105	0.2
363.14825	42.4
364.15170	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	363.1815
Annotation	Bannaringaolide A
Peak:m/z	Relative Intensity
50.95994	0.4
53.49715	0.4
54.26056	0.4
55.01870	0.4
57.03434	1.7
59.01381	16.3
61.58270	0.4
61.70299	0.4
71.05025	4.8
72.49506	0.4
75.32689	0.4
79.01897	2.4
83.01398	0.7
95.05030	10.9
97.02956	3.0
97.06581	0.5
98.19933	1.1
109.06644	0.5
121.02934	1.2
122.03746	0.8
125.02443	4.4
131.76237	0.5
135.04521	1.1
137.06088	0.5
139.04013	14.3
140.04384	0.9
145.50844	0.5
149.09767	0.4
163.11237	0.5
164.97221	0.4
165.01926	2.5
166.02756	0.5
167.07169	0.6
179.03447	0.5
180.04256	0.4
193.05034	0.6
205.12283	1.8
217.15858	0.6
229.52931	0.5
244.14699	0.6
259.17032	21.3
260.17310	2.3
277.18024	1.1
285.14886	1.0
303.16028	32.3
304.16452	4.4
319.19180	5.6
320.19458	0.9
321.17145	3.4
324.47375	0.4
363.18097	100.0
364.18448	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	363.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11423	0.6
51.40559	0.6
55.21383	0.7
56.98042	4.9
59.01384	8.0
60.97530	0.7
63.96240	2.4
69.13119	0.6
71.01376	3.2
71.05009	0.6
71.60366	0.8
72.99314	4.7
73.02943	1.3
73.98324	3.1
74.02480	0.8
74.41855	0.6
74.99102	91.7
75.99434	1.4
76.09367	0.7
79.95737	5.7
81.95334	1.1
85.02970	1.9
87.00887	6.3
89.02443	2.2
96.96025	3.1
99.02743	2.2
101.02440	2.8
103.04047	1.0
110.01972	2.9
113.02474	2.3
117.05529	1.0
117.97314	1.2
118.98090	3.5
120.01247	8.4
120.99670	3.1
121.01640	1.6
122.00834	1.5
125.02440	1.2
127.02238	3.6
128.03033	15.0
129.03777	3.0
135.98346	2.9
136.99150	100.0
137.99423	1.4
159.29071	0.7
161.04575	1.3
169.01389	1.2
177.35469	0.7
179.10849	1.6
184.09888	0.7
195.08498	2.7
201.07655	2.4
213.09557	3.3
225.11427	1.8
231.03018	0.8
239.07408	1.9
243.02992	1.2
248.38435	0.7
257.08517	2.3
260.03253	1.5
276.00842	1.1
277.00043	0.8
319.04462	0.9
333.84137	0.8
345.10056	1.0
363.04492	5.2
363.11194	46.9
363.16422	3.7
364.03528	2.7
364.11465	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	363.1299
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01888	1.7
57.03459	7.3
58.00603	1.5
59.01093	2.6
59.01383	39.5
60.35431	1.4
68.99805	2.5
69.03467	2.9
69.41048	9.1
69.82648	1.2
71.01387	43.5
72.99314	10.7
73.02943	5.2
75.00880	37.7
79.95734	4.0
81.94952	1.4
83.01382	2.9
85.02953	50.4
87.00875	17.6
87.04522	3.9
89.02450	12.0
95.01375	10.2
95.05031	1.9
96.96001	4.9
99.00889	19.0
101.02444	3.2
101.06107	2.4
103.00381	4.8
111.00866	2.3
113.02460	57.4
113.06095	71.9
114.02805	2.1
114.06438	2.5
115.00372	3.1
117.01949	6.6
120.98846	2.6
120.99657	35.1
125.02385	1.4
129.01927	3.9
131.03471	4.9
134.54904	1.4
175.02486	5.6
181.45728	1.3
205.07173	4.7
207.05081	2.0
223.08224	4.4
231.05029	4.3
249.06154	45.7
250.06441	3.0
267.07217	96.6
268.07584	4.0
319.58511	1.6
329.53864	1.2
345.11990	3.1
345.93066	1.3
363.02240	5.2
363.12967	100.0
364.13300	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	362.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91351	0.5
58.99615	0.8
59.01389	3.5
65.00344	0.5
71.01381	1.9
72.99327	1.7
73.02956	0.7
74.00706	1.7
74.99083	4.3
79.95737	42.1
80.96525	3.0
88.80346	0.5
89.02416	0.7
95.97627	1.0
96.96005	5.6
98.20641	1.3
100.48705	0.6
101.02442	1.2
102.98613	1.6
116.24448	0.5
116.46146	0.5
118.98067	0.9
120.01256	100.0
120.99644	1.4
121.01630	1.5
121.03016	0.9
121.99175	0.8
122.77565	0.5
123.00908	0.7
125.02429	1.0
126.15381	0.6
131.60037	0.5
136.00743	1.3
136.99146	3.9
140.07207	1.0
146.03746	1.2
147.04599	0.9
148.05298	4.2
161.02524	0.9
161.06070	1.7
163.03911	0.8
163.07642	4.4
169.01378	0.8
195.04813	1.2
199.96930	5.0
241.01892	2.6
242.02531	7.2
243.03325	9.8
244.03699	0.6
275.00507	15.2
276.00882	1.2
300.99969	0.9
345.77893	0.5
362.03708	47.4
362.10181	3.5
363.04080	5.1
363.11182	2.5
363.15909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18575	0.3
59.01383	1.7
69.30645	1.5
69.31074	1.6
71.01389	1.5
72.99310	0.5
74.99099	1.1
75.00873	0.7
79.95748	6.5
82.09030	0.4
85.02961	1.5
89.02452	0.6
90.16179	0.4
96.96011	6.0
99.00867	0.6
103.00483	0.4
113.02457	1.4
113.06087	1.5
117.05605	0.9
120.99661	100.0
121.99979	1.6
136.99149	0.8
148.05293	1.0
163.07625	0.9
200.95352	6.0
239.09663	0.5
241.01755	0.8
242.02501	0.7
243.03296	2.5
249.06151	0.9
267.07190	2.3
317.41962	0.4
363.02139	18.0
363.12927	1.7
364.02426	1.9
384.51721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98025	3.9
58.11339	1.3
59.01365	3.6
60.97514	1.9
69.47685	1.8
69.48094	7.6
71.01377	2.3
72.99311	3.8
73.98312	2.8
74.99100	87.2
79.95712	1.5
87.00893	5.7
90.76020	1.3
96.95993	2.1
99.02740	1.5
110.01958	3.0
110.94357	1.1
118.98080	2.6
120.01201	1.8
120.99637	2.2
127.02208	4.6
128.03021	17.0
129.03827	3.2
135.28905	1.3
135.98361	2.2
136.99146	100.0
137.99425	2.1
167.20773	1.2
169.01407	1.2
195.08461	3.6
213.09508	3.0
239.07411	2.3
320.30890	1.3
325.62109	1.2
353.54074	1.4
363.04208	2.9
363.11191	40.4
364.11441	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	362.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75798	0.5
59.01392	3.1
69.89390	2.2
71.01389	1.7
72.99339	1.0
73.63611	0.5
74.00713	1.4
74.99080	2.9
79.95741	47.5
80.96512	3.0
85.00321	0.7
87.00864	0.7
89.02460	0.8
95.97644	1.0
96.96028	5.6
97.02924	0.6
98.95641	0.6
101.02447	1.0
102.98604	1.7
111.00916	1.3
112.93732	1.2
113.02455	1.2
117.05561	0.6
118.98125	0.9
120.01261	100.0
120.99663	2.1
121.01633	1.5
121.02962	0.7
121.99242	1.2
123.00911	0.6
123.04547	0.7
125.02481	0.8
136.00700	2.0
136.99179	4.1
140.07188	1.5
146.03777	1.0
147.04509	0.8
148.05333	5.6
161.06090	1.9
163.07642	5.1
169.01352	0.7
199.96950	4.4
241.01813	2.3
242.02493	9.2
243.03313	10.7
266.96265	0.6
275.00546	17.1
276.00879	0.7
362.03735	47.2
362.10419	11.1
363.04044	4.8
363.11230	2.8
363.16400	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	361.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03435	1.4
62.45984	0.4
65.00317	1.4
69.60982	1.7
69.61385	1.4
79.01894	1.3
81.03453	5.1
83.01370	1.1
83.05039	0.4
93.03441	1.6
95.05009	2.0
97.06558	0.5
99.08157	1.5
107.01376	1.1
107.05009	2.0
111.04481	0.5
120.63769	0.5
121.06613	0.8
122.42201	0.4
123.08145	4.8
125.02449	2.4
133.83130	0.5
145.11603	0.5
147.08208	0.5
149.06071	1.1
151.00339	2.1
151.98466	0.5
152.04779	0.7
153.05481	1.2
156.02274	0.4
159.63451	0.5
165.09146	1.8
167.07137	5.0
170.52623	0.4
189.05591	0.7
193.04988	1.1
207.06645	1.8
209.78795	0.5
235.16873	0.7
247.20523	0.5
261.22250	0.7
263.23843	0.6
277.21722	0.7
315.26718	0.6
317.24777	19.4
317.28409	100.0
318.25128	3.6
318.28738	15.3
343.22598	0.5
361.23669	63.4
361.27505	45.8
362.23999	10.6
362.27875	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	361.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.4
60.01705	0.7
61.98834	100.0
70.95896	0.3
71.59748	0.6
72.99303	0.5
78.91963	0.5
94.70133	0.3
121.02924	0.5
159.97380	0.9
161.98911	0.6
162.50514	0.3
164.96440	0.6
174.99275	1.0
175.99640	0.5
177.96742	0.5
178.98642	0.9
201.02536	1.2
203.02440	0.5
203.99988	3.8
204.02788	0.7
205.00107	0.4
206.97491	0.4
217.00334	3.2
217.16299	0.3
217.97868	0.6
218.00667	3.0
219.00853	0.9
219.97760	52.4
220.95380	0.4
220.97726	0.3
220.99687	4.2
254.63364	0.3
255.83636	0.3
260.39841	0.3
277.96872	0.5
277.99585	0.6
319.00430	0.3
319.98019	1.2
320.00974	0.7
361.98367	3.1
363.00235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.48172	0.4
59.01381	0.8
65.00321	0.6
65.70858	0.4
71.05031	3.8
71.48178	0.4
79.01890	1.7
81.03459	2.0
83.01375	0.8
83.05093	0.4
93.03461	1.0
95.05032	12.6
97.02959	2.7
105.65733	0.4
109.02961	0.9
109.06590	0.4
121.02978	2.1
122.03763	1.9
125.02415	0.5
135.04501	0.5
137.06105	5.7
139.04028	14.3
140.04356	0.5
149.06007	0.5
153.05614	0.5
165.01945	2.1
166.02637	0.5
167.87691	0.4
175.03957	0.5
176.04730	0.7
179.03503	0.6
181.05092	0.6
193.05046	0.9
263.20190	2.2
275.23935	0.6
282.96158	0.4
283.63766	0.4
317.24866	25.1
318.25195	3.7
343.22812	0.7
361.23846	100.0
362.24188	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2386
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
77.42583	0.5
79.01894	1.8
86.78171	0.4
92.84341	0.5
95.01373	0.6
97.02976	1.3
98.19701	0.9
102.90751	0.4
107.05029	1.0
109.02934	1.1
110.41657	0.5
111.04524	0.6
121.02946	0.8
121.06629	0.5
125.06081	1.1
135.04570	0.8
137.02448	1.5
138.03229	7.2
139.04007	0.9
149.06091	3.8
151.03992	1.1
152.04822	0.6
153.05565	8.2
154.54781	0.5
164.01186	0.9
165.01952	4.8
165.05571	2.4
166.02733	7.9
167.02995	0.6
178.02782	0.8
179.03531	4.4
180.04286	7.9
190.84622	0.5
193.05066	39.5
194.05559	3.7
198.01697	0.5
207.06639	1.3
241.65645	0.6
247.09804	0.7
248.10555	1.0
261.11362	5.6
262.11572	0.5
263.55362	0.5
285.22519	0.7
345.20801	0.7
346.21167	0.7
361.23846	100.0
362.19568	0.9
362.24179	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2385
Annotation	CHEBI:70284
Peak:m/z	Relative Intensity
56.32512	0.6
57.03453	5.2
59.01388	0.9
65.00320	0.8
67.01851	0.6
69.03435	1.0
69.60986	0.9
69.61393	3.3
71.05018	1.3
79.05537	0.6
81.03466	0.8
83.01396	1.5
83.05016	2.2
83.99739	0.6
85.06563	1.4
93.03457	1.1
95.01416	0.7
95.05026	1.3
97.02937	0.9
97.06612	1.6
111.04514	1.1
111.08157	2.1
112.96099	0.6
121.02968	0.6
121.10267	0.6
123.00880	0.8
123.08147	0.9
124.01679	8.8
124.02520	1.2
125.02491	4.7
135.04521	1.6
137.02423	2.5
137.09682	0.9
139.04019	19.1
140.04318	0.7
151.00349	1.7
152.01189	4.3
165.01918	6.8
165.12842	0.9
166.02681	3.0
167.03217	0.7
179.03502	13.9
180.03931	1.0
193.05092	1.8
205.15947	4.6
227.18024	0.9
233.07916	0.7
245.19110	41.3
246.19395	3.7
247.09734	2.8
247.16982	3.0
277.21857	1.1
291.12338	2.0
299.23834	0.9
317.24896	8.9
318.25214	1.1
319.22784	2.0
329.16913	0.6
361.20038	41.9
361.23837	100.0
362.20343	5.8
362.24167	14.5
384.15350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85027	0.3
52.05968	0.3
55.01868	0.8
57.03440	1.0
64.29397	0.3
69.72379	2.0
79.01904	3.1
84.68561	0.3
85.06599	4.9
85.48280	0.3
91.05525	0.9
93.03442	0.4
95.05037	2.3
97.02954	2.1
98.19901	0.7
107.05048	0.8
108.22863	0.3
109.02952	0.6
109.06599	7.0
109.07777	0.4
110.06924	0.5
111.04530	6.0
135.04532	3.1
136.05315	1.2
138.03258	0.3
151.04034	1.0
151.07663	3.9
153.05583	21.5
154.05913	0.7
162.06866	1.2
163.07310	0.4
170.72029	0.3
179.03539	2.7
179.07100	0.6
180.04277	0.9
186.44640	0.3
190.06334	0.6
193.05084	1.0
195.06682	1.6
207.06647	1.8
249.18610	1.1
261.22089	0.6
315.23355	0.9
317.24857	10.5
317.28531	0.6
318.25284	1.1
343.22592	0.4
350.82217	0.3
361.23853	100.0
362.24191	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	361.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.01381	0.8
62.42542	0.3
65.00335	1.0
69.61059	0.2
79.87200	0.3
81.03463	16.3
82.03800	0.4
83.01396	1.7
95.05045	0.4
97.06564	0.4
107.01387	0.8
121.02955	0.3
122.03736	2.3
123.04552	0.7
125.02444	6.2
126.02791	0.4
126.64487	0.3
151.00385	1.3
152.01221	0.3
179.03555	0.4
229.51193	0.4
235.20564	0.3
253.21761	0.8
263.18463	0.3
275.23849	1.8
277.21735	5.2
278.22162	0.5
317.24872	35.5
318.25229	5.1
339.23526	0.3
343.22778	1.1
352.14572	0.3
361.23859	100.0
362.24207	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	361.2022
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
52.43464	0.8
54.55199	0.8
57.03432	1.6
60.27263	0.8
63.02388	1.3
65.00323	3.3
69.03481	1.0
69.63593	2.2
69.63994	3.6
83.01370	0.9
91.01929	1.1
95.01382	3.7
97.02945	2.7
101.79444	0.8
107.01386	1.3
111.04536	1.6
123.00909	1.0
123.04501	1.4
124.01670	24.7
125.02422	2.8
127.11300	6.9
135.04533	1.5
137.02422	2.5
139.04019	79.4
140.04320	3.4
149.06093	1.1
151.00383	4.4
151.04018	1.6
152.01146	10.4
160.09428	0.8
164.01085	1.1
165.01942	10.1
166.02739	5.6
167.03465	3.0
173.09692	1.2
177.01959	1.7
179.03497	24.6
180.04002	1.5
181.04974	2.3
189.09177	1.1
190.02715	1.7
193.05133	5.3
199.07631	1.0
215.07164	1.8
217.08745	2.6
219.06612	3.1
233.08197	18.8
234.08452	1.6
247.09737	1.7
268.92892	1.0
329.17661	1.9
343.19067	1.6
361.20212	100.0
362.20523	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	361.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
57.03439	1.1
65.00315	2.1
65.04004	0.5
69.57814	2.4
69.58228	1.4
71.05038	0.7
79.01881	0.7
81.03458	2.0
83.01404	1.6
85.02948	1.1
89.00315	0.8
93.03471	0.8
95.01382	1.2
95.05042	2.8
95.51344	0.6
97.02940	1.8
97.41457	0.6
98.08479	0.6
99.08163	1.9
105.03481	0.5
107.01371	0.8
107.05029	0.6
109.02916	1.0
109.06609	0.9
110.16859	0.6
111.04517	0.8
121.02933	0.8
122.03742	1.2
123.04543	1.7
123.08202	0.6
124.01667	19.1
125.02500	6.9
137.02419	4.0
137.06075	2.9
139.04016	36.5
140.04327	2.6
141.04507	1.0
145.63092	0.5
147.04494	0.8
151.00394	6.1
151.04010	1.1
152.01163	12.3
153.01732	0.7
153.05553	2.4
165.01942	16.1
166.02718	5.4
167.03490	1.1
177.01976	1.5
179.03485	2.2
181.05074	22.2
182.05309	1.0
193.05009	1.5
205.05087	0.7
217.05139	3.0
221.08083	0.9
231.06409	0.9
235.06140	1.4
245.78665	0.6
249.07634	2.2
301.14572	0.9
317.21207	1.7
343.19083	0.9
356.72159	0.6
361.20190	100.0
362.20496	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	361.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28077	0.5
51.49656	0.4
54.36258	0.4
55.01892	0.6
57.03448	5.5
69.03455	0.7
71.05023	4.7
79.01900	1.9
79.21856	0.5
80.07050	0.5
81.03445	0.9
83.01404	0.7
93.03473	0.8
95.05039	14.5
96.05363	1.0
97.02958	2.2
97.06594	0.8
97.33081	0.5
98.84713	0.5
102.66861	0.5
113.09741	18.1
114.10054	1.2
121.02966	1.5
122.03778	1.4
123.08199	3.3
125.02425	0.9
127.11249	0.7
137.06105	4.9
138.03253	1.1
139.04036	21.4
139.05118	1.2
139.07669	1.0
140.04355	0.9
149.06104	1.0
165.01930	1.7
166.02687	1.8
177.12950	0.5
179.03444	1.0
181.05124	0.7
193.05080	2.4
251.12195	0.5
317.21313	6.2
318.21521	1.0
361.20221	100.0
362.20538	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	361.2021
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
52.49099	0.5
52.99326	0.4
56.80439	0.6
63.02407	0.8
64.53175	0.6
65.00327	11.3
69.59808	2.4
69.60221	1.4
81.03456	1.8
89.00354	2.9
91.01885	2.2
95.01426	1.2
95.05042	1.3
97.02957	7.6
105.03458	0.7
119.05042	1.7
121.02946	4.8
121.06628	0.9
124.01674	28.0
124.02585	1.4
137.02438	9.6
137.06076	2.1
139.04024	45.1
140.04362	2.2
145.06525	0.9
149.99582	3.0
151.00369	2.2
152.01169	17.7
155.14444	1.5
161.06107	1.5
163.00298	0.7
163.04044	1.1
165.01930	37.3
166.02518	2.4
173.02371	0.9
174.03271	0.9
177.01935	5.1
181.05061	8.5
187.04018	1.6
188.04778	2.0
189.05588	4.5
191.03519	2.9
203.07123	1.8
205.05072	7.0
237.63318	0.6
329.17606	8.2
330.17865	1.5
343.19131	2.2
361.20200	100.0
362.20541	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	361.1662
Annotation	Xerophilusin N
Peak:m/z	Relative Intensity
51.33111	0.5
54.21245	0.6
57.03454	5.6
57.35460	0.5
59.01375	1.2
65.00335	1.7
65.42284	0.5
67.01901	0.6
69.03471	1.8
71.49646	1.0
73.02953	1.8
81.03471	13.5
83.01382	3.9
83.05016	2.7
85.02967	0.7
85.97345	0.5
87.04556	0.6
93.03483	1.0
95.01391	2.4
95.05028	2.0
96.96008	0.9
97.06604	1.2
99.04524	0.7
106.08793	0.5
106.36296	0.5
107.01395	0.8
107.05019	0.9
109.02977	0.6
109.06604	1.7
111.04507	0.7
119.05082	0.6
119.08643	1.2
121.02991	0.6
121.06632	0.6
122.03727	0.8
123.04536	11.2
123.08160	0.8
124.01688	1.9
125.02464	35.4
126.02756	0.8
135.04495	1.4
136.05217	0.6
137.02463	0.6
139.03996	0.8
145.10269	1.2
149.26096	0.5
151.00377	4.9
152.01129	1.1
153.05554	0.9
161.09706	1.3
163.11182	0.8
165.01917	0.8
166.02730	4.9
167.03535	6.5
175.11253	0.6
179.03526	5.1
180.04268	1.1
189.12859	0.7
191.10751	0.6
193.05089	1.1
201.12881	0.6
203.10812	0.8
208.36394	0.6
233.25317	0.6
243.13867	1.5
243.17606	1.6
273.18674	0.5
285.11362	1.9
286.12390	0.6
287.12979	4.0
287.15826	0.8
317.14066	0.8
317.17743	0.6
343.15454	3.3
343.19214	1.6
344.15744	0.7
348.76633	0.6
361.16571	100.0
361.20206	7.6
362.16837	13.4
362.20526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
69.46449	2.9
69.46858	0.9
71.05025	4.4
79.01895	1.9
81.03458	0.5
83.05038	0.5
85.02962	0.6
93.03490	0.6
95.05035	10.7
96.05355	0.5
97.02950	3.4
97.06599	0.5
107.05043	0.5
109.03003	0.6
109.06637	0.6
118.81015	0.4
121.02961	1.7
122.03768	1.4
135.08180	0.4
136.05322	0.7
137.02438	0.6
137.06107	3.6
139.04028	22.5
140.04343	1.0
141.96768	0.5
149.06058	0.7
149.09717	1.5
165.01926	3.2
166.02711	1.6
176.04765	0.6
179.03615	0.6
180.04289	1.5
181.05067	1.3
193.04977	1.4
202.76175	0.5
203.14421	1.0
245.15514	3.4
271.13220	0.5
285.54230	0.5
289.14542	3.1
304.46823	0.5
317.21188	1.3
361.20230	100.0
362.20532	13.8
380.17773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72427	0.5
63.02397	1.6
65.00323	2.2
69.03455	0.9
69.55127	4.2
83.01389	0.5
93.03461	0.9
94.55460	0.5
95.01402	3.4
95.05052	0.8
97.02949	1.3
101.04551	0.6
107.01420	0.9
111.04532	1.8
121.02936	0.8
121.52229	0.6
123.00888	1.5
123.04552	1.0
124.00842	0.9
124.01679	13.6
125.02431	2.4
135.04510	2.5
137.02473	3.0
138.03267	1.3
139.04034	27.5
149.06097	0.8
151.00380	4.4
151.04033	1.5
152.01164	9.9
152.98151	0.5
154.91826	0.6
158.68317	0.6
162.67023	0.5
164.01199	0.8
165.01973	7.6
166.02730	7.2
175.07738	0.6
177.01894	0.7
179.03519	34.4
180.04005	2.6
181.05075	1.2
193.05070	3.5
213.12825	0.8
229.12349	1.6
233.08200	0.9
245.15536	1.0
248.68074	0.7
273.11362	12.2
274.11691	2.1
276.18033	0.7
289.14417	4.8
303.12341	0.9
329.17657	1.4
343.18799	0.7
361.20221	100.0
362.20541	13.7
365.49188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.8
59.01385	21.9
60.01716	0.5
61.52443	0.5
65.00330	5.2
65.90816	0.4
69.51050	3.2
73.93584	0.5
81.03465	9.5
83.01393	4.8
85.02958	3.9
90.14864	0.4
95.01379	1.2
95.05034	2.1
97.02947	0.6
107.01405	6.3
107.05031	0.9
109.02967	0.5
111.00879	1.9
121.10281	0.7
122.03705	2.1
123.04530	6.4
124.01688	2.8
124.04818	0.5
125.02463	11.5
135.04535	1.8
137.02451	2.2
137.06113	2.7
138.03290	0.6
139.04088	0.6
148.05299	0.5
149.06039	1.2
149.13339	0.8
151.00381	19.6
151.03981	0.6
151.07622	0.7
152.01170	2.2
166.02725	3.1
167.03470	3.9
173.06036	0.8
174.03250	0.7
177.01930	4.1
179.03516	1.9
192.02547	0.7
192.04285	8.6
193.04807	0.7
202.27451	0.5
213.09409	0.4
213.12868	0.5
215.14391	2.3
217.12431	0.5
233.15517	0.5
255.13857	0.7
257.15482	10.3
258.15826	1.4
259.13205	0.5
277.14838	0.4
283.13376	1.9
301.14456	55.0
302.14813	6.5
317.17551	2.0
317.21277	1.6
319.15414	2.6
335.36407	0.5
361.16562	100.0
361.19940	3.6
362.16937	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	361.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60691	0.4
54.51902	0.5
57.03453	8.9
59.01398	0.8
65.00326	0.7
71.60629	0.9
75.30614	0.5
81.03457	4.2
82.01466	0.4
83.01395	8.8
83.34456	0.5
85.02956	1.8
95.01425	0.6
95.05012	0.7
107.01373	0.9
108.24348	0.4
109.02969	0.7
113.02457	1.8
121.02976	1.1
123.04531	12.1
124.01695	0.8
125.02454	100.0
126.02784	3.4
137.02467	1.0
139.04033	1.1
149.02466	1.1
151.00385	1.4
159.21426	0.5
167.03508	11.2
167.04907	0.8
168.03836	0.5
202.06384	0.5
215.03429	0.6
220.10439	0.5
235.13409	5.4
236.13611	0.7
284.45145	0.5
291.52902	0.5
301.17810	0.5
317.21182	0.7
319.15659	0.7
343.15619	1.0
343.19330	0.9
361.16397	3.0
361.20239	9.5
361.23969	1.7
362.16910	0.7
362.20789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43134	1.0
59.01390	5.9
67.01891	3.2
69.54175	1.7
69.54581	6.4
69.60178	1.0
71.01393	6.5
72.18885	1.1
72.99262	1.3
73.02958	1.9
74.12830	1.1
78.37099	0.9
85.02966	3.8
87.00918	1.5
89.02477	2.4
96.96030	1.2
97.02940	1.3
101.02436	3.1
107.28848	1.0
111.00886	7.9
113.02422	5.3
119.04958	1.6
120.99696	2.0
124.01669	33.2
136.99088	1.3
137.06061	2.6
139.04019	100.0
140.04346	4.6
159.03094	1.1
161.04599	7.0
163.04050	2.8
249.06151	4.5
290.97888	1.3
301.09247	3.4
304.84982	1.0
326.16830	1.2
361.07199	3.3
361.10928	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	361.1657
Annotation	Sauriol A
Peak:m/z	Relative Intensity
59.01382	3.3
65.00320	0.6
69.64720	1.2
69.65131	3.0
71.01366	1.4
72.99329	1.0
79.95749	0.8
85.02939	0.6
88.04037	3.4
93.03458	3.5
96.96016	7.8
101.06086	1.1
107.01286	0.6
108.02197	1.2
109.02985	9.2
111.08223	0.7
119.34346	0.6
121.02969	30.7
122.03779	16.7
123.04502	2.7
124.01664	2.0
129.03484	1.5
134.03757	1.1
135.04524	3.2
136.05359	1.5
137.02435	5.6
146.03749	1.6
147.04544	11.6
148.05052	1.0
149.06073	2.0
150.03252	0.8
153.05568	1.8
154.02737	3.3
161.06133	3.9
163.04045	1.0
164.04784	1.7
165.05577	35.9
166.05891	1.5
168.04193	0.8
175.04202	0.6
175.07607	1.2
177.05557	1.0
178.06380	0.7
179.05656	1.1
179.07153	12.3
180.07471	0.8
191.07202	1.3
206.17288	0.6
209.08252	1.4
209.11885	0.7
223.09755	1.5
281.10309	1.9
282.17047	1.2
298.12045	1.1
313.14429	1.4
315.12350	3.9
316.12970	1.2
332.05542	0.6
346.14252	10.9
347.14633	1.4
361.16565	100.0
362.12778	1.9
362.16876	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78481	1.2
57.03453	4.5
59.01390	5.5
61.46607	1.0
63.96213	1.8
71.01382	2.0
71.60490	1.3
72.99309	4.3
73.02954	1.4
74.99104	2.1
79.95738	3.4
83.05025	4.5
85.02972	8.2
87.00874	4.3
89.02427	1.7
93.03465	1.2
95.05040	1.8
96.96016	52.6
97.06572	1.1
98.22394	0.9
99.04551	1.2
108.14612	0.9
109.02962	1.4
110.02490	1.0
111.00867	1.7
111.04498	2.3
111.08146	1.9
113.02474	1.7
114.50926	0.9
115.02182	1.1
117.03505	1.3
119.05049	8.1
120.99672	5.2
121.06612	1.8
123.04562	5.6
123.08163	8.5
125.02459	1.3
127.04013	1.1
129.07101	1.1
131.67499	1.0
135.04532	1.2
135.98390	1.8
136.99118	3.5
137.06259	0.9
137.09721	1.3
139.07666	2.0
141.05559	0.9
145.02943	8.2
145.10201	1.6
149.02475	1.3
151.07681	1.6
153.09233	1.1
163.03944	1.9
167.03482	2.6
169.01450	1.8
169.10193	1.1
171.11786	10.3
172.12067	1.0
181.08647	1.1
189.12817	3.0
199.00604	1.8
199.06023	4.4
199.09607	1.3
201.12825	4.7
207.13936	2.2
219.13812	2.6
229.05098	1.2
237.09338	1.5
237.14934	11.3
238.15240	1.1
241.07037	1.9
253.08730	1.4
273.11716	2.9
281.13956	18.2
282.14130	2.2
299.09247	1.0
315.08752	2.5
325.09375	2.0
343.08536	1.5
349.76385	1.0
361.06088	5.0
361.09589	100.0
362.09860	10.3
381.10052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	3.7
59.01377	54.2
59.59293	1.9
65.30602	2.3
67.01879	11.7
67.14260	2.1
69.03465	2.7
71.01393	25.8
71.01774	3.4
71.08472	4.8
72.97519	9.1
72.99309	2.7
73.02948	4.7
75.00861	6.8
78.57590	2.0
85.02959	16.4
87.00883	5.9
89.02446	5.5
90.96979	1.9
95.01398	8.3
99.00862	6.4
101.02463	10.1
111.00883	28.1
113.02477	18.9
120.99548	2.4
123.00890	100.0
124.01711	13.8
125.02444	8.6
134.97507	2.7
137.02444	4.5
138.03236	74.2
139.04033	36.6
149.02463	3.2
151.04074	3.5
151.07602	2.4
159.02966	2.6
161.04572	22.2
166.02657	4.7
169.01404	14.3
181.05063	8.6
186.72429	1.9
193.05150	3.3
211.02518	2.6
231.04933	2.5
249.06166	45.4
250.06519	2.3
271.04630	7.4
301.09299	36.4
302.09497	4.2
361.07697	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	361.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14887	1.1
59.01381	8.0
63.57930	1.0
69.03455	3.7
69.58891	7.0
71.01404	2.9
72.99314	10.4
74.99079	1.7
75.00887	1.3
78.41697	0.9
79.95747	2.7
81.03495	1.9
83.01389	5.2
85.02966	2.1
87.00893	1.4
89.02460	1.9
93.03468	1.7
95.05043	2.9
96.96036	5.3
97.02961	5.9
101.02417	1.9
107.05032	1.5
108.02175	1.4
109.02961	18.6
109.06613	2.7
111.04532	22.8
112.79369	1.0
119.05041	3.2
120.99667	19.4
121.02977	4.1
122.03741	3.7
123.04530	29.2
123.08177	1.8
124.04862	2.3
125.02438	6.6
129.05585	1.3
133.02959	1.2
135.04512	4.4
136.99132	1.8
137.02422	6.1
139.04028	4.3
142.41914	1.1
145.02980	2.9
146.03766	1.5
147.04543	2.4
149.02467	7.9
149.06085	2.9
150.03207	3.4
151.03986	8.9
159.04509	3.2
161.02435	3.0
161.04897	1.0
161.06061	5.8
162.03175	3.3
163.04013	3.7
165.01894	1.2
165.05586	2.1
167.03357	1.1
169.01323	1.6
173.02570	1.4
175.04025	3.9
177.05643	1.5
179.03487	3.1
185.06233	1.5
187.04007	3.6
187.68594	1.0
188.04826	1.6
189.05606	2.0
190.02711	1.5
191.03490	1.3
193.05133	1.3
199.07759	1.8
203.07188	8.0
205.05080	12.4
206.05496	1.2
209.04524	2.4
213.05496	1.3
215.07166	3.1
218.02246	1.5
219.02811	2.2
225.09305	3.4
227.07283	1.2
229.14314	5.4
231.02971	2.7
237.09232	4.1
240.04289	2.2
241.08797	1.8
245.08194	3.7
253.08731	3.2
255.06348	1.3
257.01028	1.5
257.07974	1.2
269.08087	1.4
271.06201	1.7
271.65765	1.2
273.08401	1.8
273.11325	8.4
274.01230	4.3
275.09161	2.8
281.08313	1.8
283.06097	1.3
285.00339	1.6
285.06006	1.6
285.56323	1.2
286.07089	1.3
287.09445	1.3
289.07169	5.8
297.07751	1.2
299.09311	5.5
299.99252	1.6
300.99927	2.2
302.00641	1.3
313.10812	2.7
315.08749	2.5
317.10336	4.7
343.08215	15.4
343.97849	1.5
344.08490	2.4
345.99866	1.3
361.01944	2.9
361.09317	100.0
362.09525	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	361.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
59.01385	7.5
60.39973	0.9
60.63956	0.9
69.03453	4.3
69.31450	8.4
71.01379	3.3
72.99299	5.1
74.99088	0.9
75.28612	0.8
79.95753	1.5
81.03469	1.2
83.01385	7.1
83.05060	1.1
85.02953	1.9
85.67548	0.9
89.02436	1.5
93.03492	1.1
95.05038	3.3
96.96037	3.5
97.02928	4.6
101.02448	1.5
107.05019	1.4
108.02176	1.6
109.02953	21.4
109.06597	3.2
110.03308	1.1
111.02032	0.9
111.03796	1.6
111.04528	24.3
113.02470	1.7
118.35369	0.9
119.05021	1.9
120.99666	11.1
121.02955	4.4
121.06582	1.4
122.03767	3.1
123.00868	1.1
123.04536	34.3
123.08160	2.7
124.01723	0.8
124.04880	1.3
125.02454	5.5
129.05577	1.2
135.04489	4.3
137.02452	6.8
139.04016	3.3
145.02962	3.3
146.03792	1.9
147.04498	1.1
149.02417	7.2
149.06068	2.9
150.03246	2.4
151.04008	9.3
151.07648	1.5
153.05577	2.5
155.03513	1.4
159.04530	2.8
161.02419	3.6
161.06099	7.0
162.03186	3.1
163.04031	5.3
164.01074	0.9
165.01932	1.9
165.05586	2.7
167.07039	0.9
169.01489	1.2
171.92134	1.0
175.03949	3.6
177.05510	2.0
179.03499	3.9
187.04028	3.2
188.04718	2.6
189.05602	2.8
191.03432	1.3
193.05077	1.2
197.04477	1.2
199.00819	1.2
199.07843	1.2
201.05566	1.2
203.07137	8.2
204.07410	1.1
205.05055	14.1
206.05510	1.1
209.04521	3.9
211.07957	1.2
213.05376	1.3
215.07117	3.5
219.02986	3.7
221.08118	1.5
225.09221	2.1
229.01295	1.0
229.14471	3.8
231.02985	4.3
237.09177	2.4
241.08652	1.3
245.08163	4.9
247.06044	1.8
253.08658	1.5
255.06586	1.1
257.08209	2.1
269.08594	0.9
273.11325	10.3
274.01178	1.8
274.11841	1.2
275.09235	2.6
281.08191	1.0
289.07269	8.4
293.10434	1.3
299.09201	3.0
301.07257	1.1
302.00528	1.0
313.10751	2.3
315.08630	1.5
317.10355	5.7
343.08270	18.7
344.08615	2.1
361.09323	100.0
362.09586	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	361.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.0
60.46870	4.3
61.98830	6.3
63.70639	4.4
69.33601	4.4
69.89205	25.3
71.01385	18.6
74.99109	12.2
75.00889	5.6
75.29361	4.4
77.61584	3.9
79.95735	10.3
81.14522	4.0
82.57742	5.3
85.02969	4.8
87.00904	4.3
89.02439	9.3
91.61201	4.6
96.96003	13.7
97.25458	4.5
101.02438	5.2
111.00905	9.5
111.08179	5.6
113.02454	13.5
119.05019	78.8
120.01245	6.0
120.99642	13.3
121.02968	8.4
122.03743	6.3
125.02470	7.9
135.98380	6.2
136.99136	10.0
137.06104	38.5
138.03123	4.3
139.04027	7.7
144.23640	4.4
149.02454	27.7
161.02335	5.5
163.04007	100.0
164.04451	11.0
181.05072	13.2
249.05957	5.3
261.00128	4.7
300.99878	7.5
301.10733	15.2
361.09860	12.9
362.03293	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	361.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91021	1.3
57.03431	2.8
59.01099	1.3
59.01386	19.5
60.48791	0.9
67.01895	31.1
68.02242	0.9
68.99804	2.2
69.03474	2.4
69.29032	6.1
69.29436	2.9
71.01390	19.0
72.99303	5.1
73.02952	2.4
75.00882	17.7
80.30228	1.0
81.03470	1.4
83.01386	1.7
85.02960	18.1
85.63440	1.0
86.03288	1.1
87.00900	4.8
89.02438	3.1
92.13683	0.9
93.03462	1.2
95.01408	6.1
99.00889	10.6
103.00379	2.2
107.32466	1.0
109.02936	0.9
111.00894	57.6
111.04493	1.5
112.01215	2.3
113.02462	21.1
114.02744	1.3
115.00389	1.6
117.01917	3.3
131.19412	0.9
139.03966	2.2
175.02435	3.0
189.04005	1.6
231.05103	7.0
249.06166	100.0
250.06512	4.4
361.07724	33.4
362.08069	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	361.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41085	1.0
57.03450	2.8
59.01385	21.0
67.01896	28.9
68.02247	1.3
68.99819	3.4
69.03458	2.2
70.51657	3.3
71.01385	22.1
72.99311	5.5
73.02927	1.6
75.00881	21.6
78.50142	0.8
79.95748	1.6
81.03471	1.5
83.01412	2.0
85.02961	21.5
87.00883	9.7
89.02450	3.3
93.03457	2.2
95.01385	5.6
96.96036	1.3
99.00894	10.6
103.00394	2.5
111.00893	58.7
113.02460	25.9
114.02778	1.1
115.00401	2.1
117.01934	2.4
120.01273	1.9
120.99691	1.0
129.01945	2.3
165.01697	0.9
173.73044	1.1
175.02533	2.7
180.64363	0.9
191.05486	1.0
209.02972	1.4
216.87462	0.9
231.05057	7.0
249.06163	100.0
250.06525	7.0
317.06747	1.0
339.70697	0.9
361.07803	43.9
362.03882	1.5
362.08069	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	361.0931
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
69.30653	12.8
69.32600	1.2
72.99313	15.7
93.03452	2.1
98.19829	2.1
103.22034	1.1
181.06610	2.6
193.06589	7.9
207.08189	9.1
209.05978	2.4
211.07680	3.9
219.08136	14.8
220.08397	1.5
223.07695	4.1
224.08449	1.7
225.09283	12.0
227.06985	1.9
232.02458	1.4
235.07648	9.1
237.05611	2.6
237.09216	29.6
238.09557	3.6
241.08723	3.3
245.32898	1.5
253.08722	30.6
254.09137	2.3
255.06735	1.5
255.73483	1.3
256.07336	2.2
263.07089	6.2
269.08182	7.1
270.08438	1.3
281.08191	21.8
297.07672	9.9
299.09256	8.7
307.06094	2.7
315.08768	68.0
316.09164	7.0
325.07214	5.3
326.07474	1.6
343.04037	2.2
343.08240	45.1
344.08578	4.6
361.09308	100.0
362.09738	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	359.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31198	0.5
56.34838	0.5
57.03442	2.2
59.01371	0.8
65.00313	1.4
69.68353	1.8
69.68764	1.5
73.01974	0.5
73.58099	0.5
81.03463	15.7
82.03802	0.7
83.01389	1.8
109.65169	0.5
122.03754	2.6
125.02462	7.4
141.67694	0.5
151.00348	1.4
179.03447	0.8
233.19159	2.0
273.22366	0.8
275.20236	3.5
315.23282	28.6
316.23654	5.8
341.21252	0.8
359.22275	100.0
360.22632	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2229
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
63.81214	0.5
64.41874	0.5
77.03973	1.5
79.01892	2.2
95.01402	1.0
97.02953	1.2
98.19886	1.6
105.03452	0.7
107.05011	1.5
109.02958	1.4
111.04509	0.8
121.02972	1.2
125.06075	1.0
134.72501	0.5
135.04535	1.0
137.02440	2.4
137.06099	0.6
138.03244	9.3
139.03986	1.3
149.06029	3.1
151.03979	1.8
152.48718	0.5
153.05579	8.8
164.01158	1.2
165.01944	7.2
165.05531	2.8
166.02707	10.7
167.03099	0.8
171.56967	0.6
178.02800	1.1
179.03499	6.6
180.04272	6.3
181.04924	1.1
193.05064	33.2
194.05652	3.3
201.02991	0.5
207.06653	3.7
226.04852	0.9
229.16945	0.7
233.08211	0.8
247.09697	0.7
287.12894	6.7
288.13303	0.8
301.11343	0.5
301.14508	1.7
344.19519	0.7
359.22287	100.0
360.18369	1.1
360.22644	15.2
363.87234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2593
Annotation	Griffinipregnone
Peak:m/z	Relative Intensity
50.13496	1.0
57.03453	2.6
69.61028	6.6
73.80665	1.0
81.03468	5.1
83.01395	1.8
83.05061	1.7
93.03510	1.1
95.05056	2.5
97.06600	3.3
98.19875	1.9
111.08168	1.9
123.04542	5.1
125.02427	2.8
150.10005	0.9
157.65044	0.9
167.03542	1.5
206.85651	0.9
259.20621	1.6
261.22266	3.3
297.26105	1.6
315.23563	5.3
315.26929	100.0
316.23688	0.9
316.27231	14.1
341.21194	2.1
359.16037	4.9
359.22153	32.9
359.25961	98.5
360.16034	1.3
360.22473	4.7
360.26309	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	359.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83335	0.3
57.03452	16.0
64.22796	0.4
65.00333	18.3
66.00661	0.5
70.20851	0.4
81.03465	2.8
83.01402	7.3
85.02996	0.4
85.06580	0.5
109.06602	0.7
111.04521	0.9
122.03723	0.9
123.04570	1.8
125.02457	100.0
126.02787	3.2
135.04524	1.4
139.03995	0.5
153.05563	3.0
156.89618	0.3
172.86055	0.4
184.68515	0.4
247.16986	0.4
273.22250	1.0
291.23447	0.5
293.64288	0.4
315.23315	11.3
316.23734	1.7
317.21161	0.9
359.22311	39.4
360.22641	6.4
360.26645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03454	6.2
63.02397	2.2
65.00322	3.6
69.03448	2.0
70.18177	1.9
71.05025	49.9
73.02986	0.9
81.03444	2.8
83.01410	1.6
83.05022	2.6
85.06593	1.9
93.03462	1.6
95.01375	3.5
95.05042	2.9
97.02941	2.8
97.06564	1.8
107.01373	1.5
107.05032	0.9
109.02927	1.7
109.06577	2.1
111.04530	2.8
111.08169	7.4
121.03002	1.1
122.03759	0.8
123.00881	2.2
123.04559	1.6
123.08149	2.5
124.01670	29.0
125.02412	3.0
125.09676	2.2
135.04565	4.4
135.08263	0.9
137.02457	4.5
138.03157	1.0
139.04021	92.8
140.04364	4.8
149.09703	1.2
149.13358	1.2
151.00381	6.7
151.03928	1.3
152.01173	8.2
164.01071	1.1
165.01935	11.2
165.12808	1.8
166.02724	7.5
167.03467	1.6
179.03510	37.9
180.03899	2.5
181.05049	1.9
187.11134	0.8
189.09184	1.1
191.14420	4.1
193.05009	2.7
203.10721	1.6
205.04671	0.8
205.15984	1.8
212.03123	0.9
217.08727	1.4
219.17555	7.8
231.17561	10.0
232.17821	0.9
233.08214	8.6
233.15504	2.6
243.17500	2.1
245.19148	3.6
247.09735	6.8
248.10312	1.1
259.20679	16.8
260.21011	1.3
261.18610	1.4
273.22153	2.2
274.22656	0.9
297.22290	0.8
315.19739	1.8
315.23239	9.8
316.23553	1.4
317.21182	3.1
341.21185	2.5
359.18521	100.0
359.22336	93.0
360.18829	14.4
360.22678	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	359.1865
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
61.73617	0.9
65.00332	0.9
71.61398	0.9
75.04184	0.9
81.03452	2.3
83.01374	1.4
85.02940	0.9
95.05023	2.5
97.02937	4.3
99.00868	1.3
102.33398	0.8
108.02151	2.1
110.00072	2.4
111.00864	6.2
111.04536	0.9
117.27742	0.8
123.04527	6.0
125.02457	6.1
136.98804	2.6
137.02499	1.2
139.00383	6.4
139.03995	2.3
140.01157	6.0
141.01958	1.4
144.11659	0.9
149.02454	5.4
149.13377	1.7
151.03989	2.2
152.85811	0.9
153.01947	4.1
160.03925	1.0
165.01936	1.2
165.99059	7.0
167.03502	74.2
168.00636	17.0
168.03796	3.1
169.57117	0.9
177.01900	2.0
178.02673	2.1
179.03563	1.3
181.01418	3.1
181.05058	1.2
182.02217	26.3
183.02745	3.1
191.03528	1.3
195.02991	56.0
196.03746	13.0
197.03967	1.0
209.04544	1.9
210.05373	1.2
218.06006	1.0
235.06125	2.2
236.06789	1.5
249.07564	1.9
250.08267	1.4
263.09067	1.1
275.09283	2.4
276.09933	2.7
287.20294	1.3
289.10812	1.8
303.19421	1.0
307.48019	0.9
315.12244	3.0
315.15884	1.0
315.23318	4.3
327.15952	2.2
329.13947	2.6
344.16290	100.0
345.16641	13.3
350.29205	0.8
359.18591	94.4
359.25961	4.0
360.18961	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	359.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80533	0.5
56.61178	0.5
63.02395	0.8
65.00320	2.3
65.37132	0.5
69.03446	0.9
81.03463	0.8
83.01389	0.5
85.02956	1.1
93.03471	1.2
95.01414	3.0
95.04996	1.0
97.02954	1.1
99.97252	0.5
107.01370	0.5
109.02947	0.6
109.07825	0.5
111.04527	1.3
121.02956	0.7
122.03845	0.5
123.00944	1.0
123.04555	1.1
124.01682	11.3
125.02443	1.8
126.38564	0.5
126.40218	0.5
135.04524	1.8
137.02452	11.9
138.03186	0.7
139.00380	0.8
139.04024	27.6
140.04323	0.8
149.06041	0.6
149.99617	0.8
151.00357	3.2
151.04007	1.6
152.01170	6.2
163.04005	1.3
165.01942	44.8
166.02731	6.5
167.03438	0.8
167.40289	0.5
177.01991	1.2
177.05528	0.8
178.02684	0.8
179.03502	23.4
180.04124	2.5
181.05034	1.3
193.05064	5.8
194.05487	0.6
207.06627	1.9
212.45856	0.5
229.12340	1.4
233.08145	1.3
247.09729	6.3
249.11212	0.6
257.11789	0.8
273.11340	8.7
274.11725	1.2
287.12833	0.9
288.13574	0.7
289.14462	4.4
299.12988	0.6
322.20221	0.5
323.80475	0.5
327.15985	1.0
341.17380	0.9
359.18628	100.0
360.14520	0.9
360.18973	13.1
376.73224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03532	0.6
63.02407	0.8
65.00322	2.4
68.67120	0.5
69.59542	2.6
69.59942	1.3
71.05020	2.3
79.19975	0.5
81.03478	0.8
83.01359	0.7
91.01883	0.6
93.03442	1.1
95.01411	2.8
95.05028	0.6
97.02951	1.5
104.14538	0.5
107.01373	1.1
111.04523	1.9
116.07815	0.5
123.00871	0.5
123.04532	1.3
124.01672	16.6
125.02423	2.1
135.04518	2.6
137.02455	3.9
138.03221	1.5
139.04021	37.5
140.04384	1.4
145.56628	0.5
149.06081	0.6
151.00381	4.6
151.03912	1.1
152.01167	8.5
155.90092	0.6
164.01160	0.9
165.01929	9.2
166.02716	6.7
167.03442	0.9
178.02843	0.6
179.03499	31.0
180.03976	2.5
181.05023	2.4
193.05067	3.4
219.06599	0.7
229.12308	1.8
243.13959	0.7
243.32594	0.5
271.86066	0.5
273.11343	15.4
274.11569	0.9
287.12939	5.5
359.18637	100.0
360.18994	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.6
63.02394	1.4
65.00025	0.6
65.00336	2.6
69.03470	1.0
69.32436	4.0
69.32848	1.0
78.34587	0.6
81.03481	1.1
83.01385	0.8
85.47177	0.6
91.01924	0.7
93.03486	1.3
95.01398	2.4
95.05031	1.6
97.02969	1.4
107.01391	1.0
107.05053	0.7
111.04538	2.9
111.08178	1.6
113.21877	0.6
123.04575	1.2
124.01671	22.3
125.02433	2.0
135.04552	3.7
137.02467	4.1
138.03259	0.7
139.04021	75.3
140.04359	2.9
151.00368	4.6
151.03995	1.1
152.01176	5.5
161.02475	0.8
165.01944	9.3
166.02715	6.3
177.01929	0.6
179.03505	36.6
180.03954	1.9
181.05084	1.4
189.09210	0.7
193.05090	3.4
203.10829	1.4
222.40909	0.6
233.08165	4.8
243.73334	0.6
247.09763	6.6
297.46606	0.6
315.12320	0.7
336.62723	0.6
341.21130	0.8
359.18640	100.0
360.19000	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	359.1866
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
51.50902	0.9
51.62252	0.9
54.60355	0.9
56.39018	1.1
65.00349	1.4
71.38089	1.4
71.38421	1.0
83.01392	1.1
93.75207	1.1
95.05057	1.6
97.02962	2.5
108.02218	1.4
109.99023	0.9
110.00111	1.7
111.00881	5.2
123.04517	4.5
125.02448	1.3
134.91199	1.1
136.98824	3.1
139.00354	5.0
139.03995	2.0
140.01141	4.8
141.01917	1.5
149.02454	3.9
151.04010	2.8
152.61444	1.1
153.01915	5.2
165.99062	6.1
166.99759	2.4
167.03493	60.5
168.00652	20.1
168.03870	3.3
177.01910	1.3
178.02710	1.1
181.01436	3.2
182.02209	25.7
183.02695	1.5
193.04964	1.2
195.02994	54.0
196.03754	12.0
209.04568	1.6
211.31557	1.0
235.06110	1.6
249.07646	2.5
252.85065	1.1
271.64508	1.1
275.09329	2.5
276.10001	1.6
315.12408	2.6
326.15240	1.6
327.16046	2.3
344.16296	82.0
345.16638	12.7
359.18637	100.0
359.22253	4.2
360.18964	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	359.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67036	0.5
55.01870	0.6
57.03440	1.5
59.01368	0.8
60.13846	0.4
65.43930	0.4
67.99068	0.5
70.56320	0.5
71.05029	22.8
72.05352	0.7
77.03982	0.6
79.01895	2.4
81.03439	0.4
83.01381	0.5
83.05004	0.5
93.03461	0.9
95.05033	14.5
96.05402	0.7
97.02946	2.9
97.06593	1.4
109.06577	0.8
113.43806	0.5
121.02999	1.0
121.06677	0.5
122.03735	0.7
135.08228	1.1
137.06107	3.7
138.03227	0.9
139.04025	21.2
140.04326	0.9
149.06036	0.5
163.11266	0.9
165.01949	3.2
166.02721	1.7
175.11418	0.5
179.03497	0.7
180.04256	1.3
181.05055	1.0
187.07727	0.5
193.05069	1.3
205.12410	0.5
207.06851	0.5
207.44542	0.5
217.15948	0.5
218.76801	0.5
237.80489	0.5
243.13925	0.5
315.19690	3.8
316.20123	0.5
341.17502	1.6
359.18640	100.0
360.19012	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	359.0984
Annotation	PD 169316
Peak:m/z	Relative Intensity
54.65526	0.4
55.01865	1.7
59.01380	3.0
59.67145	0.4
65.93466	0.4
67.01894	0.7
70.32878	1.4
71.01381	4.1
72.99258	0.5
73.02948	1.7
79.01882	1.2
83.01378	1.4
85.02954	2.5
87.00909	0.5
95.01382	2.0
97.02952	0.5
101.02441	6.1
107.01390	2.3
111.00903	2.9
113.02453	1.8
122.99990	0.8
123.00890	16.1
124.01699	2.1
125.02449	11.2
126.02772	0.5
127.00417	0.7
136.66171	0.5
136.98802	1.5
139.00401	6.2
140.01166	5.0
141.01920	2.0
151.00374	13.7
152.00688	0.7
153.01974	0.7
168.00681	4.7
169.01431	17.6
170.01779	0.6
181.04924	0.5
191.62181	0.6
207.08742	0.8
253.03458	0.4
313.05823	1.1
359.09839	100.0
360.10175	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	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01368	1.9
69.21891	0.6
70.11453	2.5
71.01398	1.3
74.99096	0.7
87.00847	0.7
87.41526	0.6
89.02465	0.7
96.96006	2.4
101.02476	0.9
109.02948	2.9
110.02465	2.0
111.00864	0.7
120.99670	4.9
123.00932	0.7
123.04532	0.9
124.01685	0.8
125.02424	1.9
135.04504	1.1
136.99066	0.7
138.03236	7.7
146.02052	0.5
151.04001	7.8
152.04793	22.6
153.05589	21.9
153.09143	0.7
154.05911	1.4
159.04530	1.4
160.51169	0.6
165.05537	1.2
169.01393	2.5
178.02718	36.3
179.03447	5.2
189.05565	0.9
196.03770	89.1
197.04495	17.9
197.08113	0.9
200.04611	0.8
241.05232	0.8
251.07304	0.6
255.06747	0.9
271.10147	0.8
299.09113	0.8
299.99094	0.7
313.10748	1.1
341.08841	4.3
344.12579	2.4
359.09863	100.0
359.14627	5.3
360.10144	11.1
375.94153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2075
Annotation	Kuhistanol E
Peak:m/z	Relative Intensity
52.93599	0.4
57.03455	16.6
59.01392	0.4
60.41014	0.4
65.00331	19.4
66.00664	0.6
69.68741	2.2
70.50755	0.4
71.05023	1.6
73.45229	0.4
73.64566	0.4
81.03465	3.8
83.01403	7.1
89.60667	0.4
90.58224	0.4
113.95052	0.5
122.03714	1.0
123.04559	1.9
125.02460	100.0
126.02798	3.1
135.04547	1.0
268.42145	0.4
271.20761	0.9
273.18640	0.5
313.21759	8.2
314.22079	1.2
315.19763	1.0
315.23337	0.5
320.20584	0.4
357.20694	22.3
357.24503	3.4
358.21042	3.4
358.24756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2438
Annotation	methoxydihydrosorgoleone
Peak:m/z	Relative Intensity
54.37325	1.1
57.03452	2.0
62.39308	1.1
69.37340	6.7
69.37753	3.0
75.26318	1.0
81.03468	2.2
93.03446	1.1
95.05048	1.5
97.06583	2.0
98.88648	1.1
107.05001	1.6
111.08224	1.8
125.09759	1.7
165.12833	1.6
189.16531	1.2
189.53847	1.1
259.20633	2.3
295.24307	3.2
313.25406	83.3
314.25735	10.9
332.61841	1.0
357.20480	8.6
357.24374	100.0
358.20648	1.4
358.24652	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	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25127	0.4
59.01384	90.6
60.01720	0.8
60.92912	0.4
61.98834	2.7
69.98378	2.0
72.99322	1.5
75.97337	0.4
90.97133	0.7
114.98901	0.5
118.96695	0.6
130.44778	0.4
132.98213	1.6
156.99890	0.8
157.03557	2.0
159.01498	1.7
161.98886	0.8
165.45840	0.5
174.99268	21.6
198.91980	0.5
201.02579	25.5
202.02707	2.5
217.00320	100.0
217.97968	1.4
218.00690	3.3
274.99661	1.5
296.06442	0.4
299.01215	0.6
301.77475	0.4
317.00607	1.6
359.01633	6.6
360.01645	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	359.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11353	0.4
55.01871	0.8
56.46940	0.3
59.01380	4.1
67.01881	0.9
68.23147	0.4
70.47922	1.3
71.01387	4.3
73.02937	2.0
79.01892	0.9
83.01400	1.8
85.02943	2.3
87.00880	0.6
89.02468	0.4
95.01395	2.2
95.54672	0.4
97.02956	0.8
99.00883	0.6
101.02447	4.8
107.01413	3.1
110.00103	0.5
111.00884	2.8
113.02434	2.1
123.00894	16.0
124.01694	2.1
125.02451	14.7
127.00407	1.0
136.98843	2.2
139.00394	5.3
140.01169	4.2
141.01967	2.0
151.00381	11.7
152.00664	0.6
153.01894	0.4
168.00641	4.9
169.01442	15.6
170.01810	0.7
181.05046	0.4
207.08774	0.6
313.05667	0.9
331.79041	0.5
341.34555	0.4
359.09836	100.0
360.10208	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	357.2074
Annotation	Kuhistanol E
Peak:m/z	Relative Intensity
59.01364	0.6
69.59720	3.0
79.01894	0.6
79.05533	0.6
81.03484	4.7
83.05065	0.7
91.05559	0.7
95.38020	0.5
98.20645	0.9
108.02220	1.1
109.06625	0.6
121.01534	0.5
121.03014	0.9
122.03760	11.4
123.03875	0.5
123.04567	6.1
123.08144	0.5
124.01695	0.7
125.02460	2.8
135.04544	15.2
136.05310	0.9
137.02403	0.9
141.44127	0.6
149.06155	2.6
150.06744	0.7
161.06099	0.5
163.07637	2.4
179.03474	1.0
215.10730	0.6
271.20731	1.7
311.20245	1.7
313.21765	42.1
314.22147	6.7
342.14716	0.7
357.20752	100.0
358.21085	14.0
358.24417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2072
Annotation	Kuhistanol E
Peak:m/z	Relative Intensity
50.92837	0.2
56.12456	0.2
57.03452	17.5
65.00329	20.8
66.00641	0.5
67.15301	0.3
70.01868	0.6
70.02257	0.5
71.05033	0.5
79.39087	0.3
81.03443	2.5
83.01389	8.2
84.01739	0.4
89.89014	0.3
95.92955	0.2
97.02982	0.4
98.19971	0.3
99.00899	0.3
108.02187	0.5
109.06548	0.5
111.00913	0.4
122.03784	0.8
123.03709	0.3
123.04533	1.4
124.01672	0.9
125.02454	100.0
126.02796	3.7
135.00902	0.4
135.04539	1.1
145.06618	0.3
149.02370	0.3
149.06067	0.3
161.88379	0.2
164.60182	0.3
165.01927	1.6
167.03467	0.3
169.41205	0.3
189.05560	0.5
192.88446	0.3
193.01468	0.7
204.23834	0.2
214.92500	0.3
271.20746	1.0
297.14880	0.4
301.18076	0.5
313.21765	7.5
314.22141	1.1
315.19666	0.7
329.17654	1.1
349.25977	0.3
357.16956	3.4
357.20758	21.1
357.24277	1.1
358.17468	0.4
358.21118	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	357.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95345	0.5
57.03447	1.6
59.01384	0.7
64.52837	0.5
65.00317	0.7
69.12241	0.4
81.03470	8.3
83.01409	0.7
98.19844	1.1
107.01445	0.6
111.08147	0.6
122.03738	1.4
125.02460	3.6
126.02796	0.5
135.04552	0.9
151.00420	0.8
152.01123	0.7
158.94583	0.5
166.02826	0.6
179.03510	0.6
201.87645	0.5
273.18512	1.2
313.21765	13.8
314.22089	2.0
357.20740	100.0
358.21075	12.9
367.14209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2073
Annotation	Hippochromin B
Peak:m/z	Relative Intensity
55.54884	0.4
68.27827	0.4
69.62959	2.5
76.41726	0.3
77.03973	1.0
79.01884	2.2
80.02233	0.4
83.01398	0.4
83.05047	0.4
93.03490	0.9
95.01368	1.0
95.05024	0.5
97.02960	1.5
103.01929	0.5
105.03407	0.7
107.05008	1.4
109.02959	1.9
111.04505	0.7
121.02938	1.6
121.06602	0.4
124.01643	0.5
125.02428	0.4
125.06081	1.4
135.04504	1.5
137.02412	2.5
137.06102	0.7
138.03230	11.4
139.04076	3.1
149.06120	4.7
151.04019	2.4
152.04729	0.4
153.05582	10.4
154.05972	0.7
163.07605	0.5
164.01210	0.9
165.01939	8.2
165.05550	2.6
166.02722	13.3
167.03032	0.6
175.07539	0.4
178.02711	1.3
179.03510	9.5
180.04298	11.0
181.04820	1.1
192.04359	0.5
193.05077	41.4
194.05560	3.8
195.06653	1.6
207.06628	4.7
208.06999	0.4
212.03200	0.5
221.08224	0.4
226.04903	0.5
233.08220	1.1
245.15413	0.4
247.09747	1.8
261.11453	0.5
273.11346	1.3
281.19122	0.6
287.12955	1.0
299.12811	0.6
313.14529	2.6
327.15988	1.6
341.17477	1.0
342.18311	0.9
357.20724	100.0
358.21078	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	357.2071
Annotation	Kuhistanol E
Peak:m/z	Relative Intensity
52.63865	0.4
53.81908	0.5
57.01506	0.5
57.03447	0.6
57.20860	0.4
71.60577	0.7
79.01898	0.5
79.05556	0.5
81.03451	4.1
82.17786	0.5
93.03476	0.5
100.72513	0.5
108.02142	0.6
109.02945	0.5
121.02958	1.1
122.03737	13.6
123.00951	0.6
123.04548	6.3
124.01671	0.5
125.02484	2.7
135.04533	13.7
136.05241	0.8
149.06079	1.5
153.01970	0.6
163.07686	2.5
170.65111	0.5
172.76253	0.5
178.84737	0.5
179.03439	0.6
203.10745	0.6
217.12361	0.5
250.77042	0.5
267.81348	0.5
271.20673	2.3
271.42700	0.5
311.20190	2.0
313.21744	39.2
314.22061	4.8
319.72803	0.5
357.20700	100.0
358.21069	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	357.2072
Annotation	4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
63.02404	1.0
65.00312	0.7
65.09390	0.2
69.57572	0.7
69.57996	0.8
80.02690	0.3
81.03473	0.3
83.01401	0.3
98.19812	0.2
107.01373	0.6
108.02148	0.5
110.52575	0.2
123.04530	0.3
124.01640	0.4
125.02439	0.4
136.01654	0.3
148.01636	0.3
149.02403	0.5
151.00409	0.5
152.01074	0.3
159.08759	0.2
159.33994	0.2
161.02463	2.8
168.73074	0.3
175.03996	0.3
176.01169	3.0
177.01910	1.7
177.55247	0.2
189.01985	0.5
190.02727	19.3
191.03287	1.7
203.03516	23.9
204.04211	5.0
229.05092	0.4
247.20720	0.3
249.18654	0.3
257.08200	0.5
304.66925	0.2
313.21637	0.5
315.81760	0.2
316.74536	0.3
342.83331	0.2
357.20721	100.0
358.21060	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	357.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01377	0.8
65.00317	1.4
69.48570	0.3
69.68951	0.8
69.69379	1.2
81.03462	9.7
82.03788	0.3
83.01403	1.4
83.05018	0.6
93.60620	0.3
97.06631	0.4
103.47208	0.4
107.01366	0.4
122.03771	1.6
124.01665	0.4
125.02464	3.9
135.04565	0.5
151.00403	0.9
152.01198	0.9
174.00540	0.3
179.03548	0.5
205.27467	0.4
231.17557	0.4
248.23357	0.3
271.20508	0.5
273.18716	1.5
297.33496	0.3
313.21759	14.2
314.22180	1.2
315.78622	0.3
356.60443	0.3
357.20724	100.0
358.21069	17.7
358.25650	0.5
378.55249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19096	0.6
59.01382	1.6
61.98845	0.9
63.02419	1.3
65.00326	1.8
65.28449	0.6
69.03477	0.8
71.05032	1.2
71.61297	0.9
72.53944	0.6
81.03469	2.0
83.01398	0.9
88.54234	0.6
93.03413	0.7
95.01408	1.9
95.05031	1.9
95.68425	0.7
97.02954	1.5
109.02957	1.1
109.06636	0.8
121.02906	3.0
121.06645	0.8
121.49544	0.7
123.00902	1.4
123.04528	1.0
124.01677	28.9
125.02542	3.2
135.04561	1.2
137.02443	4.0
138.03201	0.7
139.04027	100.0
140.04358	4.9
151.00359	2.2
151.04083	1.6
152.01172	8.7
152.04849	1.2
157.48001	0.7
161.09877	0.8
165.01935	10.2
165.05586	1.1
166.02744	3.1
167.03546	1.0
167.07057	0.7
175.04059	0.8
179.03516	7.8
180.04108	0.9
181.03020	0.6
181.04976	1.2
193.05089	3.4
207.06613	0.8
217.12373	1.4
221.08177	1.0
261.11237	0.9
287.20316	1.2
299.12961	0.7
313.14432	3.5
313.17859	1.3
329.17584	0.8
339.16208	1.1
339.23358	0.9
341.23868	0.6
357.17068	51.3
357.20670	5.3
357.24420	6.1
358.17523	5.9
358.21262	1.0
358.24927	1.1
379.45535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72952	0.6
57.03471	0.8
63.02406	1.3
64.58228	0.5
65.00330	2.4
67.40000	0.5
69.03452	1.3
70.04207	0.5
70.11005	2.5
71.05016	1.3
78.08575	0.6
81.03461	2.4
83.01401	1.1
91.01891	0.9
92.87777	0.6
93.03450	0.8
95.01418	3.4
95.05040	0.7
97.02953	1.7
97.06609	0.7
104.15604	0.6
107.01379	0.9
107.05042	1.0
109.06626	1.4
111.04521	1.5
121.02982	1.3
123.04531	2.1
123.08147	5.7
124.01669	31.9
125.02386	2.2
135.04530	2.0
137.02449	3.8
138.03137	0.9
139.04019	100.0
140.04366	4.3
141.05606	0.6
143.02155	0.6
149.06137	0.7
149.09714	0.7
151.00375	4.2
151.04021	1.8
152.01181	7.0
163.03999	0.7
165.01935	10.0
166.02710	3.0
167.03479	2.5
173.09727	1.0
177.02010	1.1
178.02682	1.0
179.03496	17.6
180.04047	1.3
181.05083	5.5
189.01932	0.7
189.09152	1.1
190.02713	2.0
193.05043	7.0
199.07681	0.6
215.07193	1.7
217.05196	0.9
217.08661	3.3
219.06606	2.0
222.01746	0.9
231.06548	1.1
233.08192	20.1
234.08623	1.7
248.26831	0.6
279.20694	0.6
285.11319	0.7
313.14307	0.7
313.21698	4.1
325.14221	2.8
339.16006	12.9
340.16327	2.1
357.17047	58.7
357.20773	5.6
358.17459	9.1
358.21368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.3
58.03782	0.3
65.00331	22.7
66.00664	0.6
71.05018	0.9
71.60601	0.5
74.85235	0.3
81.03463	2.2
83.01395	8.5
83.05037	0.4
95.01403	0.4
97.02939	0.7
104.01160	0.3
108.02153	1.3
109.02969	0.4
109.06574	0.5
110.00117	0.4
111.00913	0.5
121.02942	0.4
122.03755	0.8
123.00868	0.5
123.04538	2.0
124.01681	2.8
125.02456	100.0
126.02807	4.0
135.00871	0.8
135.04488	0.6
136.05272	0.3
136.98792	0.4
137.02431	0.6
143.45639	0.3
145.06593	0.7
149.02487	0.5
149.06126	0.5
151.04088	0.5
153.01947	0.3
161.06122	0.3
163.04008	0.9
164.04842	0.3
165.01930	4.7
165.03235	0.4
167.03479	0.3
189.05565	1.6
193.01443	1.3
196.03845	0.6
203.14574	0.4
236.45392	0.3
271.20743	0.6
273.18768	0.3
287.16571	0.5
297.15170	0.4
301.18216	1.7
312.30173	0.3
313.18073	0.5
313.21747	8.7
314.22073	1.2
315.19745	0.5
325.14551	0.6
329.17560	2.3
330.17831	0.4
342.14801	0.5
357.17014	11.2
357.20810	21.4
357.24292	1.5
358.17395	1.7
358.21161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61130	0.6
57.03463	4.1
59.01394	0.6
62.19198	0.5
62.32289	0.4
65.00323	1.4
69.03468	2.5
71.05025	6.2
79.01897	1.6
79.05531	0.6
81.03467	7.8
83.01393	2.8
83.05030	2.2
93.03492	1.2
94.46929	0.5
95.01388	0.7
95.05040	11.4
97.02948	3.0
97.06596	1.8
106.04268	0.6
107.01423	0.8
107.05025	1.5
109.02935	0.9
109.06567	1.2
119.05026	0.7
121.02973	2.0
121.06618	0.8
123.04527	1.1
123.08128	1.1
123.10427	0.5
124.01667	1.9
125.02463	19.2
135.08128	0.9
137.02455	0.8
137.06061	1.0
138.03252	0.8
139.04033	51.7
140.04335	1.3
147.08220	0.5
149.06091	1.1
151.00386	1.7
152.01175	1.0
160.00562	0.6
160.97455	0.6
165.01962	4.6
166.02704	4.7
179.03592	3.1
180.04305	2.5
181.05032	0.7
193.05051	3.5
203.10976	0.6
227.14516	0.6
231.13889	0.8
243.17490	0.7
257.15579	0.8
269.15564	0.7
270.15851	0.6
271.17056	1.7
285.18704	1.0
290.87332	0.5
313.14380	3.0
313.18088	2.5
313.21729	1.4
329.17792	1.2
339.16037	3.3
357.17087	100.0
357.20508	4.9
358.17410	13.8
358.21155	0.9
362.23138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68172	3.5
59.01368	6.3
61.98519	6.0
61.98835	100.0
70.75799	3.5
70.76138	9.0
78.59903	3.4
85.02963	9.1
96.96011	7.2
118.22874	4.0
120.65088	3.5
121.02978	7.4
143.94463	3.7
193.65282	4.1
196.17093	7.3
259.38467	3.9
313.20139	4.8
356.20761	29.4
356.25027	5.5
357.16977	6.1
357.20831	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02881	2.8
59.01384	3.0
61.98832	100.0
91.64778	2.8
96.96002	10.8
98.20630	6.7
107.05008	2.7
121.02956	6.1
139.04015	5.3
165.02092	3.1
196.03323	3.0
229.15332	3.4
243.74884	2.7
271.30521	2.8
301.55048	3.1
357.17026	25.8
357.20593	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	357.0617
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01389	0.5
72.66598	0.3
74.73830	0.3
77.03961	0.5
85.83051	0.3
93.03481	0.4
98.20639	0.8
116.96245	0.3
118.95758	0.3
121.02968	100.0
121.36642	0.3
122.03309	4.6
165.01930	0.8
180.05817	1.3
181.06621	6.6
182.06956	0.7
190.58684	0.3
211.99048	0.4
214.01833	0.3
225.05606	6.4
226.05853	0.4
313.03738	0.6
313.07199	8.2
313.27521	0.4
314.07632	1.5
357.06186	29.9
357.26511	1.3
358.06567	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.3
58.03782	0.3
65.00331	22.7
66.00664	0.6
71.05018	0.9
71.60601	0.5
74.85235	0.3
81.03463	2.2
83.01395	8.5
83.05037	0.4
95.01403	0.4
97.02939	0.7
104.01160	0.3
108.02153	1.3
109.02969	0.4
109.06574	0.5
110.00117	0.4
111.00913	0.5
121.02942	0.4
122.03755	0.8
123.00868	0.5
123.04538	2.0
124.01681	2.8
125.02456	100.0
126.02807	4.0
135.00871	0.8
135.04488	0.6
136.05272	0.3
136.98792	0.4
137.02431	0.6
143.45639	0.3
145.06593	0.7
149.02487	0.5
149.06126	0.5
151.04088	0.5
153.01947	0.3
161.06122	0.3
163.04008	0.9
164.04842	0.3
165.01930	4.7
165.03235	0.4
167.03479	0.3
189.05565	1.6
193.01443	1.3
196.03845	0.6
203.14574	0.4
236.45392	0.3
271.20743	0.6
273.18768	0.3
287.16571	0.5
297.15170	0.4
301.18216	1.7
312.30173	0.3
313.18073	0.5
313.21747	8.7
314.22073	1.2
315.19745	0.5
325.14551	0.6
329.17560	2.3
330.17831	0.4
342.14801	0.5
357.17014	11.2
357.20810	21.4
357.24292	1.5
358.17395	1.7
358.21161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59959	0.4
57.03434	2.1
59.01360	0.6
65.00311	0.7
67.60017	0.5
69.62970	2.7
69.63376	1.2
74.83139	0.5
74.99764	0.5
79.01883	1.0
81.03458	7.4
82.71555	0.5
83.01391	1.3
83.04994	0.9
85.06596	1.8
85.70933	0.5
89.21531	0.5
95.01389	1.5
107.01366	0.9
107.04979	0.5
109.06588	3.9
111.04511	2.6
122.03745	1.0
123.00867	0.6
123.04553	0.8
124.01655	1.9
125.02459	5.4
135.04510	2.1
147.11807	0.6
151.00404	2.3
151.03914	0.7
151.07684	1.2
152.01186	3.0
153.05569	8.2
153.14081	0.5
166.02695	2.2
179.03535	4.9
180.04210	2.3
193.05083	1.6
194.05769	1.8
195.06680	3.3
207.06548	2.9
208.07352	0.8
213.12801	0.7
221.08109	0.6
227.14488	0.6
229.08577	0.6
229.16129	1.2
229.46332	0.5
247.09846	0.7
262.80835	0.5
269.19125	0.7
271.17084	1.2
311.20215	8.1
312.20593	1.1
337.18338	1.0
355.19144	100.0
356.19485	15.5
356.23904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01375	0.8
63.02402	0.4
65.00315	1.5
69.03474	0.4
69.55290	2.4
69.55605	0.3
81.03461	14.8
83.01389	2.1
83.05033	1.6
86.14505	0.3
95.01395	4.7
97.06625	0.4
98.20690	0.6
98.24001	0.4
101.52799	0.3
107.01392	1.4
109.06573	0.4
111.00842	0.5
111.08094	0.4
120.78631	0.4
122.03734	1.3
123.00897	1.7
123.04509	1.0
124.01682	3.1
125.02465	7.3
126.53425	0.3
135.04492	1.6
149.06078	0.5
151.00383	3.6
152.01151	6.5
163.07657	0.6
166.02736	3.8
177.58414	0.3
179.03496	6.5
180.04163	1.1
193.05052	1.4
207.06662	1.1
208.07361	0.8
212.03418	0.4
217.12585	0.4
219.14017	0.6
221.08154	0.3
229.15967	0.8
233.15501	0.6
238.12900	0.4
261.11008	0.4
262.12082	0.8
269.19086	0.7
271.17035	1.4
299.13013	0.4
311.20200	9.3
312.20630	0.9
337.18109	0.6
342.98932	0.4
355.19135	100.0
356.19467	13.3
356.23911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1916
Annotation	Neodactyloquinone
Peak:m/z	Relative Intensity
55.54307	0.3
57.03452	15.8
65.00331	19.7
66.00657	0.5
68.75754	0.4
71.11432	0.3
81.02960	0.3
81.03465	1.9
83.01394	8.1
97.06544	0.3
98.20697	0.5
118.13447	0.3
121.10289	0.5
122.03725	0.6
123.04530	1.4
125.02454	100.0
126.02794	3.3
135.04533	1.5
140.40941	0.3
141.18747	0.3
159.69313	0.3
163.11293	1.3
179.10754	1.4
187.36598	0.4
190.54886	0.4
256.01614	0.3
262.12448	0.4
265.12256	0.4
275.96469	0.4
287.20169	0.6
311.20215	4.4
312.20486	0.5
313.17978	0.8
343.98120	0.4
355.19138	16.5
355.22870	1.4
356.19318	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	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.17605	0.5
54.52572	0.5
57.80243	0.7
59.01381	1.7
63.55972	0.5
63.90862	0.5
96.96015	7.0
97.86771	0.4
109.02975	0.9
110.02477	0.9
121.06624	1.2
125.02451	0.6
130.08713	1.1
130.71501	0.5
132.49510	0.5
135.04518	0.8
136.05316	2.3
137.02484	0.8
137.06114	5.0
147.04593	0.6
149.06064	0.9
159.04533	0.7
163.03941	0.7
164.04808	2.6
165.05577	31.4
166.05917	1.8
167.06145	5.4
175.03940	1.4
179.03406	0.5
187.03940	0.6
191.03468	1.3
192.04289	16.7
193.05060	100.0
194.05388	5.5
195.05635	1.0
205.05125	1.0
209.07304	0.7
222.06680	0.9
236.08287	2.0
249.04079	1.1
254.09297	0.7
264.07666	3.3
266.09406	2.5
275.18594	1.1
282.08823	0.9
284.10410	1.4
294.08823	4.9
312.09750	1.8
326.07709	1.5
337.02048	1.7
340.09525	0.7
355.10352	41.7
355.14157	3.2
356.09311	4.5
356.21152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1917
Annotation	Liphagal
Peak:m/z	Relative Intensity
58.98984	0.8
59.58694	0.8
64.35952	0.7
69.73695	5.3
77.03959	1.1
79.01892	1.6
83.05009	1.0
93.03471	1.1
97.02959	0.9
98.20591	1.5
102.65266	0.8
105.03484	1.0
107.05082	1.8
109.02972	2.4
111.04504	1.2
121.02957	1.2
125.06042	1.0
135.04532	0.9
137.02446	2.9
137.06151	1.3
138.03232	11.4
139.03995	2.0
147.11766	0.8
149.06075	3.7
151.04007	6.3
153.05591	12.5
165.01913	7.8
165.05573	2.7
166.02734	10.7
166.39641	0.8
177.05487	1.5
178.02765	1.2
179.03516	27.1
180.04297	12.1
181.04982	1.1
184.13840	0.9
193.05072	29.4
194.05701	3.0
195.06598	3.5
207.06645	11.5
208.06859	1.2
231.10294	1.1
233.08212	1.6
247.09821	2.9
325.14432	1.4
339.16125	2.4
355.19165	100.0
356.19470	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1916
Annotation	Kuguacin M
Peak:m/z	Relative Intensity
57.03452	4.6
59.01373	1.5
65.00325	4.2
67.77029	0.4
69.03466	0.8
69.45007	3.2
71.66976	0.5
81.03462	13.7
81.65655	0.4
82.03828	0.7
83.01389	3.2
83.05032	1.3
84.74320	0.4
95.01413	0.6
95.04994	1.0
97.02929	0.4
97.06557	0.8
107.01382	1.1
109.06606	1.0
111.04458	0.6
115.40470	0.5
122.03723	1.8
123.04523	1.7
124.01662	1.0
125.02451	18.6
126.02835	0.6
135.04520	2.3
137.02440	0.5
137.06076	0.5
151.00368	1.7
151.04019	0.6
151.07678	0.6
152.01170	1.8
153.05571	2.1
162.03098	0.6
163.03995	0.5
166.02695	0.8
179.03534	1.8
203.03481	0.5
205.04961	0.7
207.06561	1.1
265.13898	0.5
311.20212	11.6
312.20609	1.1
355.19144	100.0
356.19495	13.8
356.23849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
57.40532	0.4
59.01371	1.2
65.00325	1.7
69.78680	1.9
69.79087	0.9
69.99992	0.4
79.01886	0.7
81.03465	11.5
83.01399	1.4
83.05023	0.7
85.06596	0.8
95.01404	4.1
95.05045	0.6
96.73106	0.4
107.01381	1.0
109.06602	1.2
111.04511	1.0
122.03738	0.7
123.00884	1.9
123.04521	1.4
124.01694	2.6
125.02452	5.9
126.02757	0.5
135.04538	1.0
139.00406	0.4
151.00371	3.3
151.07603	1.2
152.01180	5.0
153.05579	3.7
159.93997	0.5
165.01956	0.5
166.02742	4.5
167.03265	0.6
178.99689	0.5
179.03499	7.1
180.04216	1.5
193.05080	1.2
194.05907	0.8
195.06567	0.7
207.06619	2.1
208.07286	0.7
219.13892	0.7
221.08318	0.8
229.15959	0.7
262.11981	2.4
262.35077	0.4
263.12854	0.7
269.15756	0.6
269.18906	0.6
270.57327	0.4
271.16971	1.2
294.10928	0.5
311.20197	6.6
312.20541	0.9
337.18008	0.8
355.19144	100.0
356.15356	0.9
356.19501	12.0
362.67801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.70743	0.5
57.03436	0.6
59.01381	9.4
71.01383	6.1
71.60370	0.8
73.02934	0.7
77.82367	0.6
78.27893	0.4
78.89954	0.5
79.95738	7.4
80.16859	0.5
85.02953	1.8
89.02460	3.4
95.04995	0.5
96.96015	34.5
101.02437	2.0
102.05773	0.5
113.02464	2.0
119.03475	1.2
119.05054	1.8
121.02933	0.6
121.06642	0.8
123.04530	1.1
132.02168	14.2
133.06546	0.7
134.03748	9.2
141.95776	2.2
145.02971	1.3
149.06093	2.1
152.98622	3.8
159.04559	0.6
160.01657	66.0
161.01996	3.8
161.06084	0.7
163.04039	1.9
165.09242	0.5
175.04001	100.0
176.04344	6.4
177.05391	0.8
177.09195	0.6
179.07126	1.1
183.06639	0.5
191.07181	2.9
193.01421	2.2
193.05054	18.0
194.05403	0.9
202.02727	1.1
205.05061	1.4
217.05017	6.0
219.37775	0.5
235.06081	3.3
239.09334	0.6
243.48380	0.5
249.04149	1.0
265.07150	2.3
295.08255	1.6
337.02197	1.1
355.06912	0.7
355.10410	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	355.1036
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.73452	0.7
58.00581	0.7
59.01385	10.6
70.39702	1.5
71.01387	7.6
71.05013	0.6
72.99324	0.7
73.02932	0.8
74.99125	0.8
83.01364	0.7
85.02953	2.5
89.02450	3.3
96.93886	0.7
96.96010	1.9
98.20518	1.0
100.37669	0.7
101.02455	2.5
105.03405	0.9
113.02462	3.3
116.60918	0.6
119.03510	1.0
119.05080	0.8
121.02933	1.0
123.04509	0.7
123.83995	0.8
125.02457	1.6
127.05944	0.6
128.55014	0.6
132.02220	3.5
133.02975	10.1
134.03752	29.8
135.04535	1.1
136.01678	1.1
137.02426	6.0
139.04022	1.4
147.04523	3.0
148.05275	1.9
149.02509	0.8
149.06110	7.2
152.16838	0.8
153.67987	0.7
160.01662	20.9
161.02452	22.1
162.02797	1.0
163.03979	0.9
165.10306	0.6
175.04013	20.8
176.04793	9.4
177.01938	1.7
177.05392	0.8
177.90784	0.7
178.02768	5.1
179.03285	0.9
187.03847	0.8
191.07132	11.0
192.04266	2.5
193.05060	100.0
194.05408	6.2
202.02740	1.1
207.06639	2.4
217.04956	1.7
220.03781	1.5
221.08078	0.8
235.06116	25.0
236.06398	1.7
249.04056	0.7
265.07172	12.0
266.07593	0.8
275.01962	1.7
295.04895	1.6
295.08234	28.1
296.08511	2.5
306.67169	0.7
337.02057	2.3
349.73367	0.7
355.04776	3.2
355.10355	14.5
355.13962	0.7
355.17529	0.9
356.10736	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	355.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.9
63.95578	1.6
70.31007	5.4
72.99329	1.5
73.02957	1.9
79.87945	1.3
81.69773	1.3
87.81567	1.4
91.05562	2.0
93.03422	2.1
99.00893	6.1
105.03486	2.8
105.07133	1.9
107.05014	1.7
111.00898	1.6
119.05048	3.8
121.02974	5.1
121.06612	5.3
123.04559	3.2
124.01684	1.9
125.02456	2.9
131.05070	1.8
133.06593	15.2
135.04544	8.5
137.02486	3.7
138.03267	2.4
143.05016	2.0
143.95886	1.5
145.02968	5.5
149.02443	13.1
149.06107	4.2
151.03998	13.6
151.07658	4.6
159.04514	9.7
160.05231	1.5
161.06096	26.6
162.03268	5.8
162.06419	1.4
163.04034	34.7
163.06102	2.0
164.04796	9.3
165.01907	4.5
169.01323	1.6
175.04077	1.7
177.05565	10.4
179.05920	1.6
179.07185	17.0
187.04033	15.4
190.02689	7.3
191.03430	2.6
193.01428	43.5
194.01765	2.8
203.03548	3.7
205.05072	51.4
206.05399	4.0
221.04451	1.6
231.02946	2.8
233.00989	2.1
237.00415	5.0
238.90616	1.4
249.04041	45.1
250.04393	4.6
267.47610	1.7
293.02997	8.7
294.03827	1.6
337.02020	100.0
338.02423	9.8
355.03061	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	355.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.73012	0.7
59.01378	3.6
60.86396	0.8
69.29400	2.5
69.29820	4.5
71.01401	1.6
91.05555	1.3
93.03443	1.9
97.02943	0.9
98.19921	1.8
99.00896	3.6
105.03462	3.3
105.07093	3.0
107.05026	2.8
109.02949	1.2
111.00871	1.7
113.98329	0.8
115.05546	1.0
117.03494	1.6
119.05063	3.9
121.02956	5.2
121.06584	5.8
123.04522	3.5
124.01669	2.2
125.02444	2.1
131.05020	2.2
133.02896	1.0
133.06596	16.9
135.04530	8.0
137.02455	5.3
138.03215	3.1
143.05035	1.9
144.54724	0.9
145.02960	6.3
146.03738	3.0
147.04488	0.9
148.97043	0.9
149.02449	14.7
149.06082	7.3
150.02954	0.8
151.04001	14.7
151.07614	4.6
158.03725	1.0
159.04512	10.8
160.05173	1.8
161.02454	2.0
161.06084	25.8
162.03223	7.4
162.06447	2.8
163.04015	38.3
164.01138	1.8
164.04797	9.5
165.01904	5.2
165.05142	1.3
175.00391	1.4
175.03941	2.3
177.01978	2.0
177.04016	1.4
177.05557	13.4
178.05920	0.8
179.07135	17.8
180.07422	1.1
187.02451	1.5
187.04015	14.6
189.02016	1.2
190.02736	10.0
191.03445	1.7
193.01411	42.7
194.01746	1.1
203.03551	4.2
204.04190	0.9
205.05058	52.8
206.05428	2.3
219.02907	1.7
221.04459	2.0
223.06215	1.6
231.02962	2.2
233.00948	2.9
237.00397	3.9
249.04053	46.0
250.04373	3.5
251.62770	0.8
260.43091	0.8
261.00226	1.0
275.01993	1.0
275.12064	0.8
291.01266	1.2
293.02972	7.7
311.04117	1.9
322.92456	0.9
337.02011	100.0
338.02338	6.9
355.03018	7.4
355.12589	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	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
61.98821	2.0
69.51275	3.6
72.99271	0.4
74.74506	0.4
75.71977	0.5
78.16740	0.5
87.00875	0.5
93.03445	1.0
96.95996	0.7
98.19844	0.5
103.33248	0.5
104.46365	0.4
105.03468	0.6
108.02153	0.6
108.55667	0.5
109.02919	0.5
121.02940	1.4
136.01639	0.9
137.02486	2.7
145.26675	0.5
149.02481	2.3
149.99603	0.8
160.14230	0.5
164.01166	5.9
165.01930	6.1
175.03937	0.7
178.99872	5.9
191.03606	0.5
192.00650	62.0
193.01418	100.0
194.01732	5.9
205.01393	0.6
205.05002	0.7
249.04053	0.8
337.02042	1.7
355.06720	68.0
356.07056	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	355.1038
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.36033	1.4
59.01386	28.2
60.79304	1.5
65.28093	1.5
69.59084	10.0
71.01385	17.4
72.99294	2.4
75.84666	1.4
79.95756	1.8
84.97528	1.5
85.02943	4.2
87.00882	1.8
89.02434	8.8
96.96007	5.3
99.00976	1.3
101.02446	10.1
113.02454	8.3
117.03438	1.8
119.03541	2.6
119.05036	2.3
121.02946	2.1
125.02470	3.9
125.06112	2.1
132.02199	16.6
133.02931	6.3
134.03752	61.3
135.04337	1.9
137.02431	3.1
137.41872	1.8
139.03998	2.4
147.04514	6.5
148.05305	3.7
149.02327	2.3
149.06126	17.5
151.03995	2.4
160.01671	84.6
161.02271	7.5
163.04047	3.2
173.06038	2.1
174.03136	2.6
175.04010	97.5
176.04767	19.9
177.01906	3.3
177.05438	2.7
178.02713	8.7
179.07181	1.5
191.07181	29.9
192.04314	2.7
192.07736	2.2
193.01387	5.4
193.05072	100.0
194.05405	7.4
202.02693	2.4
205.05063	2.2
207.06647	6.6
217.05060	8.6
220.03712	2.3
235.06131	61.8
236.06567	3.2
247.02422	1.5
249.04008	3.2
265.07172	30.6
283.80536	1.5
289.67789	1.5
295.08270	54.3
296.08673	4.4
337.02020	4.8
347.83734	1.5
355.04614	11.7
355.10187	8.3
356.05063	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	355.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03978	2.4
70.88785	4.4
70.90388	1.6
93.03469	2.0
99.00892	4.2
105.03468	4.3
105.07114	2.1
107.05048	3.1
111.00897	2.4
111.29425	1.9
119.05029	3.6
121.02938	6.0
121.06577	5.4
123.04526	4.3
124.01684	2.8
133.06590	15.9
133.90308	1.6
134.96439	1.7
135.04514	8.1
137.02414	4.0
138.03236	8.9
141.95602	1.6
145.02959	6.2
146.03667	3.2
149.02437	24.4
149.06091	5.9
151.04034	13.5
151.07646	3.4
159.04509	10.1
161.06075	25.5
162.03268	4.9
163.04002	34.0
164.01300	2.7
164.04784	11.9
165.01952	4.3
177.01920	3.3
177.05583	12.6
179.07149	27.9
180.07494	2.1
187.04010	16.0
190.02798	11.8
191.03258	2.3
193.01424	42.9
203.03473	4.0
205.05070	54.2
206.05391	3.9
221.04637	2.7
223.06071	3.5
233.00970	2.6
237.00452	3.7
249.04074	47.4
250.04407	3.4
267.05136	2.2
293.03226	9.7
311.04083	3.2
337.02029	100.0
338.02560	9.2
342.58704	1.7
355.03110	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	353.176
Annotation	Tephrowatsin A
Peak:m/z	Relative Intensity
55.95649	0.9
57.03435	1.2
57.61519	0.6
59.01379	0.9
65.00321	0.8
76.21992	0.6
79.05525	1.6
81.03445	1.9
83.01388	0.7
90.96416	0.6
93.03446	1.2
95.05027	4.1
96.96017	6.2
97.06528	0.7
105.07086	0.7
107.04988	1.1
115.94830	0.5
119.05003	1.9
121.02988	1.4
121.06583	1.1
123.04522	12.2
131.04977	0.8
135.04510	0.9
136.05280	1.3
145.06569	0.8
147.00897	0.7
147.08145	1.1
149.02460	1.2
149.06075	1.5
149.09665	0.6
150.03146	0.8
151.03917	0.7
155.32216	0.6
159.08107	1.1
161.09631	1.0
163.04015	1.7
171.08176	1.7
173.06042	0.9
173.09612	0.8
174.70918	0.6
175.00310	0.7
175.04028	0.9
177.02007	0.6
177.05516	1.6
178.06316	0.6
179.10725	0.7
183.19177	0.7
189.05457	0.8
189.09035	0.7
190.02748	1.2
190.99828	0.7
191.03545	1.3
199.03868	0.7
201.09100	0.8
202.99817	0.7
203.03577	1.3
215.06993	0.8
216.04181	0.7
217.04961	1.0
238.60565	0.6
265.15930	1.0
267.17480	2.2
309.15085	1.0
309.18610	15.2
310.18933	1.8
311.20139	2.1
353.17502	100.0
353.21115	18.0
354.17871	14.4
354.21564	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	353.1969
Annotation	Hexamidine
Peak:m/z	Relative Intensity
56.83091	0.2
59.01372	0.7
63.02413	0.6
65.00355	0.3
69.47395	0.5
69.47802	1.5
97.02975	0.5
98.19899	0.5
98.77563	0.2
119.01431	0.4
121.03030	0.5
124.01675	34.0
125.02065	0.9
139.04027	100.0
140.04362	4.6
141.05562	0.2
152.01180	0.9
155.30217	0.2
166.02890	0.3
179.03537	1.0
190.99879	0.3
193.01535	0.3
200.20479	0.3
202.99809	0.5
213.83543	0.3
250.88832	0.3
285.76593	0.3
353.19760	19.6
354.20154	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	353.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78750	0.3
58.00584	0.6
58.64334	0.3
59.01371	0.8
70.87467	0.7
70.87804	0.7
71.23036	0.3
72.68709	0.4
79.95746	1.6
81.95322	0.4
82.81422	0.3
85.06599	1.0
96.96014	100.0
97.95937	0.5
98.95610	1.7
111.04440	0.3
115.07652	1.0
119.01399	0.4
141.12836	1.0
175.00394	0.4
185.11787	0.4
202.99789	0.4
215.12843	0.5
237.42889	0.3
255.19601	2.1
271.19196	1.0
273.20718	21.8
274.21002	2.3
293.13947	0.6
353.16397	75.0
354.16727	7.9
354.20932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1606
Annotation	Leptin H
Peak:m/z	Relative Intensity
50.41961	0.5
57.03448	0.6
59.01384	20.5
69.54613	4.3
71.05019	6.0
74.38794	0.5
81.03451	1.3
83.05034	2.1
83.76891	0.5
85.02957	3.8
87.00870	0.7
89.72465	0.5
97.06597	0.6
99.04536	4.7
107.05022	2.0
108.02186	0.7
109.02967	5.6
111.04524	2.3
113.02444	1.1
122.03735	0.5
123.04537	2.8
125.02453	0.8
125.06087	2.1
127.04017	8.2
135.00874	1.0
137.02423	1.1
141.09210	0.6
149.02460	1.8
151.03999	5.2
152.04758	2.2
153.01891	0.7
153.05663	2.8
157.12349	0.7
162.68787	0.6
165.09187	1.0
167.03505	1.2
167.10782	0.6
176.04533	0.5
177.01944	1.7
177.55315	0.5
178.02663	1.0
181.12314	1.1
182.02109	1.4
193.12384	0.6
196.03925	0.8
223.16908	0.6
225.11310	1.9
231.13860	1.0
233.11827	3.6
237.11365	2.0
247.13347	3.0
249.14970	1.7
251.12906	1.5
267.15787	0.6
275.12936	11.0
276.13477	0.8
291.15961	1.7
293.13940	8.0
294.14487	1.8
297.13394	7.0
298.13815	0.6
307.15494	6.4
309.13882	0.6
309.17041	2.6
311.15045	2.4
335.15005	31.7
336.15363	3.8
338.13806	2.9
353.16058	100.0
354.12280	0.9
354.16400	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	352.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78710	1.2
61.98834	100.0
64.36196	1.1
69.04710	1.2
69.62980	8.7
73.02996	1.0
82.45588	1.3
84.35229	1.3
85.02956	2.1
98.19906	2.5
101.06073	2.0
103.03964	2.8
108.86350	1.3
135.04503	1.4
137.02631	1.2
167.84911	1.2
173.04596	1.7
179.03459	1.6
191.05605	2.7
233.04517	3.3
280.33926	1.2
352.13235	4.4
353.08810	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	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01382	10.7
61.98829	2.3
67.01904	0.4
69.95076	1.2
71.01377	0.7
73.02941	0.3
77.82178	0.3
80.39640	0.3
83.05034	0.3
85.02441	0.4
85.02956	8.8
85.42400	0.3
87.00874	1.7
88.88671	0.3
93.03468	3.4
96.96019	0.4
99.04549	0.5
103.04006	2.6
109.02976	0.7
111.04510	1.0
113.89191	0.3
114.05872	0.3
114.37813	0.3
117.05609	0.4
127.04053	2.0
133.02962	0.7
135.04550	1.8
155.03529	0.5
161.02477	1.6
171.03030	0.7
171.37149	0.4
173.04597	1.3
179.03520	1.6
191.05630	100.0
192.05972	4.6
193.15909	0.4
352.99084	0.4
353.08908	1.1
360.78204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.51863	0.2
54.77501	0.2
59.01377	2.0
59.24812	0.2
60.69680	0.2
66.90849	0.2
66.91260	0.2
69.03455	0.4
70.19980	1.0
71.01377	0.7
73.02946	0.4
74.74502	0.2
74.97785	0.2
79.00707	0.2
79.95745	0.3
81.03461	0.3
83.05024	0.6
85.02953	7.3
87.00887	1.8
93.03459	2.8
96.96037	1.5
109.02942	0.6
110.11384	0.2
111.04504	1.3
113.02464	0.3
127.04000	2.1
133.02951	0.9
135.04507	0.8
152.32503	0.2
161.02426	2.4
171.02998	0.6
173.04547	1.3
173.86916	0.2
179.03482	0.7
190.87836	0.3
191.05608	100.0
192.05949	5.0
193.01440	0.2
251.06860	0.2
353.08871	1.6
353.12830	0.5
353.26550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07760	1.2
59.01385	100.0
60.01722	1.9
71.01363	1.6
71.60667	1.8
72.25802	1.2
79.01850	1.4
79.95692	1.6
84.62921	1.3
85.02965	12.9
87.00870	2.4
91.01876	1.8
93.03465	1.9
95.01399	2.3
95.05017	3.0
96.96002	2.5
99.04501	3.0
115.04041	1.6
119.01385	2.9
121.02951	2.8
123.04527	10.0
125.02460	9.4
135.04460	1.8
138.03201	4.5
139.03992	3.8
141.05624	1.8
147.00880	2.6
147.04512	1.7
147.08165	2.9
149.02443	1.5
149.06015	2.1
150.58759	1.4
151.00360	3.4
151.04005	2.7
161.09752	6.9
165.01921	1.6
166.02751	4.6
167.03467	3.1
170.02122	1.6
175.00462	3.0
177.05586	2.6
179.03419	2.2
189.09160	3.9
193.01501	2.7
193.08676	2.1
194.90825	1.3
202.99899	4.0
205.08766	1.4
221.04489	2.9
231.10309	7.0
233.08200	12.7
273.11356	5.1
275.09308	2.8
279.47446	1.9
282.01797	2.6
291.12332	4.6
293.10345	21.9
293.13580	1.9
294.10324	1.6
309.20779	1.6
335.11520	2.2
336.11957	4.5
353.07056	7.4
353.15927	4.7
353.19565	4.0
353.23355	6.4
353.27081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36206	0.3
59.01384	2.2
59.69718	0.3
69.26213	1.4
69.26637	1.9
71.01379	0.9
71.05027	0.7
73.02946	1.0
79.95737	1.8
83.05040	0.5
91.01932	0.7
93.03462	0.7
96.96019	100.0
98.20641	0.7
98.95602	1.1
101.06081	0.6
108.14761	0.4
119.01395	0.8
121.02915	0.6
123.04591	0.5
125.02470	1.2
137.02461	0.3
145.05075	1.0
147.00883	0.9
149.02417	0.4
169.01450	0.5
175.00374	1.2
190.99957	0.4
191.05554	0.5
202.99860	0.8
218.99323	0.8
246.98785	0.4
255.16058	0.4
273.17157	3.9
277.06372	0.8
334.96671	0.5
353.12778	48.0
354.13126	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	351.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14430	0.2
56.70843	0.2
57.03450	3.2
59.01383	6.3
59.30249	0.2
65.00325	0.9
69.88998	0.5
69.89409	1.0
81.03468	12.0
83.01387	2.6
83.05061	0.4
93.03439	0.3
95.01431	0.4
95.05039	0.3
98.94151	0.2
99.04539	0.5
107.01394	1.2
111.04501	0.4
122.03752	3.6
123.04526	0.7
124.01671	0.6
125.02455	25.4
126.02809	0.8
135.04512	0.5
139.04019	1.3
148.35858	0.3
151.00368	2.0
151.07632	0.4
152.80022	0.2
153.05571	1.2
165.12849	0.3
166.02687	0.5
169.77534	0.3
179.03493	0.8
181.15926	0.5
193.84399	0.2
195.06621	2.8
205.15982	5.1
206.16307	0.4
207.13887	1.7
219.17500	0.9
223.17081	1.3
226.67085	0.3
229.15742	0.3
247.17039	13.0
248.17355	1.1
261.00333	0.7
265.18094	1.2
270.42014	0.3
273.14963	0.6
289.18112	0.5
291.16025	2.2
307.19131	1.2
309.17056	0.3
333.17212	0.5
351.18121	100.0
352.18484	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	351.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03431	0.9
59.01381	11.7
69.67137	3.0
71.05038	0.7
76.47147	0.5
79.01901	3.9
81.03471	0.5
85.06586	5.6
91.05554	0.8
97.02949	2.2
98.19947	0.7
107.05012	0.8
109.06603	7.2
111.04529	7.1
112.04800	0.6
112.52086	0.5
119.01343	0.6
123.04520	0.6
135.04530	4.0
138.03407	0.4
149.06097	0.6
151.03998	1.5
153.05588	28.3
154.05992	1.1
162.06889	0.9
179.03510	3.0
191.14418	1.3
195.13942	0.7
209.15404	1.1
245.15280	0.6
247.17023	7.5
248.17284	1.2
261.00375	1.0
265.18112	1.8
273.14923	0.6
291.16046	13.4
292.16318	1.7
305.17627	0.5
307.19193	7.4
307.22531	0.8
308.19519	0.7
309.17120	10.5
310.17487	0.8
351.18076	100.0
352.18433	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	351.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67237	0.6
57.03450	1.4
59.01386	15.0
65.00334	2.1
71.05017	0.7
71.61147	0.8
79.01918	0.8
81.03468	10.4
81.57182	0.8
83.01409	2.3
86.46730	0.7
95.05030	1.1
96.96019	2.3
99.08148	1.1
107.04983	0.7
111.04565	0.8
122.03742	2.3
123.08171	3.4
124.01672	7.3
125.02470	6.7
125.09679	0.7
135.63170	0.9
139.04027	19.8
140.04448	0.8
151.04044	0.7
152.04709	0.7
161.02443	1.3
167.07132	4.7
201.29564	0.8
205.15990	1.7
207.13933	2.2
223.17030	1.2
243.33301	0.7
247.17036	20.0
248.17407	2.0
261.00455	1.7
265.18066	3.0
273.14929	0.7
291.16052	22.2
292.16315	2.7
293.21298	2.1
307.19217	19.4
307.22614	1.5
308.19485	1.9
309.17139	2.6
333.17139	1.5
351.18106	100.0
351.21790	9.4
352.18451	11.9
352.22342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
51.38832	0.4
51.46217	0.4
55.01888	1.4
57.03457	2.4
59.01382	1.3
66.08463	0.4
71.05035	0.4
72.07139	0.4
78.59327	0.4
79.01893	1.9
81.03443	0.5
81.72004	0.4
82.15504	0.4
85.06596	8.3
96.02216	0.4
96.96044	0.6
97.02953	3.5
99.04523	0.6
107.05026	1.0
109.02946	0.5
109.06590	9.8
111.04532	11.7
111.05293	0.8
112.04883	0.6
121.06616	1.1
123.04538	0.6
123.08186	0.8
125.02434	0.4
127.04074	0.7
132.72365	0.4
135.04510	2.1
135.08208	1.0
136.05289	1.0
137.02437	0.5
137.06093	0.7
138.03236	0.6
141.12888	3.5
151.04001	1.2
151.07672	0.8
153.05585	87.0
154.05911	4.3
161.09720	1.8
165.05571	3.4
167.14337	0.4
177.09140	0.9
179.03517	1.4
179.07152	1.5
205.08728	0.7
207.06607	0.7
215.07475	0.4
223.17174	0.7
261.00488	0.5
268.00116	0.5
289.21674	0.5
295.53763	0.5
307.22824	1.4
333.20703	1.8
351.21762	100.0
352.22122	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	351.1812
Annotation	13beta,14-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol
Peak:m/z	Relative Intensity
54.29394	1.4
54.47370	1.2
57.03437	3.9
59.01381	8.2
63.23133	1.1
63.44743	1.2
69.03439	2.8
71.05025	11.3
71.59981	2.0
73.99783	1.4
79.01895	2.0
81.03445	2.8
83.01395	1.9
83.05003	3.7
84.04388	1.2
85.02935	5.2
85.06582	4.1
95.01331	1.3
96.95969	4.2
97.02932	3.1
97.06577	2.0
99.04548	9.0
107.05020	4.8
109.02969	9.6
109.06561	4.3
111.04511	9.8
113.02402	3.1
123.04540	12.4
123.08192	1.5
125.06077	6.3
125.09682	2.3
125.10563	1.7
127.03104	2.4
127.04012	21.8
135.04529	2.7
137.02399	3.4
138.03127	1.6
139.03970	4.4
139.34346	1.4
149.02403	3.2
151.04013	13.5
152.04848	7.4
153.01880	1.3
153.05580	25.3
154.02690	5.6
163.04030	1.5
164.04793	2.5
165.01945	2.7
165.05559	4.4
166.06329	2.0
167.03500	2.4
168.04227	5.2
169.05038	17.0
169.12212	1.2
170.05255	1.4
177.01883	3.1
178.02658	3.0
179.03493	18.7
180.04312	12.8
182.02103	1.8
190.02454	1.3
193.05042	13.2
194.05829	39.8
195.06094	2.3
199.13330	2.6
207.06575	7.1
209.04645	1.4
223.13348	3.3
226.04677	3.9
231.10335	1.6
235.09656	4.0
235.13348	1.7
247.17101	1.7
249.11278	2.2
249.14862	1.8
251.16454	2.5
261.00320	3.9
263.12845	2.2
263.16333	2.6
277.14511	7.7
278.15277	8.1
281.06180	1.4
289.18002	6.1
291.16006	18.9
292.16525	4.2
295.15570	15.8
305.17609	14.4
306.17780	2.0
307.18954	5.1
309.16959	3.8
319.15533	2.2
333.17087	79.0
334.17343	9.7
336.15765	4.1
351.18036	100.0
351.25256	5.7
352.18570	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	352.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91556	0.9
57.03445	1.0
59.01374	5.2
59.10701	1.1
59.95053	1.0
61.98836	100.0
67.39477	1.0
69.62347	7.6
71.01377	2.8
73.02947	1.4
75.95582	1.1
81.19083	1.0
85.02946	3.2
87.00870	1.4
87.04551	1.0
88.04900	1.2
88.28616	1.1
93.03437	1.3
94.41796	1.0
96.95998	1.9
101.02434	1.0
103.04014	13.2
104.04352	4.4
113.02431	1.3
117.05572	3.4
118.05900	1.1
118.53510	1.0
125.02462	1.2
135.04520	1.5
173.04553	1.6
176.03537	1.3
191.05663	9.6
201.36128	1.2
232.93669	1.4
234.13425	1.1
248.08604	1.1
276.33136	1.0
343.14096	1.0
352.13312	12.3
353.08835	1.7
353.13156	2.3
354.28677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2179
Annotation	Narbonolide
Peak:m/z	Relative Intensity
51.83160	0.4
55.01887	0.5
57.03450	1.3
59.01379	1.8
70.35988	1.4
71.05030	4.3
81.03474	0.5
83.05032	1.8
83.05496	0.4
85.02959	3.1
97.02956	0.8
97.06592	0.5
99.04532	3.5
107.05054	2.4
108.02159	0.6
109.02976	6.5
109.23734	0.5
111.04529	1.7
113.02431	0.7
122.03760	0.9
123.04572	2.6
125.02494	0.6
125.06105	2.3
127.04031	8.2
135.00902	0.8
137.02431	0.9
149.02481	1.0
150.03195	0.4
151.04012	4.8
152.04778	1.8
153.01978	0.7
153.05577	2.1
153.53000	0.5
161.01398	0.4
161.06033	0.7
163.03900	0.6
164.04816	1.4
167.03519	1.0
169.05022	1.3
176.77937	0.4
177.01921	1.5
178.02769	0.9
178.06374	0.7
180.00578	0.5
181.05074	0.5
182.02229	1.1
191.03508	0.9
197.19107	2.2
199.17029	1.8
206.05742	0.5
206.99503	0.4
207.17577	2.5
223.17014	6.5
235.17117	0.5
235.20749	0.9
236.26044	0.4
249.18710	0.7
251.20122	0.6
263.20215	1.0
263.23907	0.5
265.21667	0.5
273.18616	0.5
275.15430	0.5
278.59235	0.4
287.20255	1.0
289.21695	2.3
291.19684	8.6
292.20386	2.9
295.19177	7.5
296.19644	0.9
305.21252	8.0
306.21606	1.4
307.19455	0.7
307.22827	3.4
309.20752	3.2
315.19775	1.1
317.17398	1.0
333.20740	32.5
334.21072	4.3
336.19446	3.1
337.19748	0.6
351.21790	100.0
352.22162	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	351.2178
Annotation	Narbonolide
Peak:m/z	Relative Intensity
55.38905	0.5
57.03447	1.5
58.29616	0.5
58.76451	0.5
58.98639	0.5
59.01374	1.6
66.58633	0.5
69.78561	0.5
71.05021	4.6
81.03468	0.9
83.05030	1.6
85.02947	2.8
97.02924	0.9
97.06586	0.9
99.04524	3.5
101.89100	0.7
107.05016	1.7
108.02209	0.7
109.02945	4.6
111.04530	1.2
114.18652	0.5
122.03756	0.8
122.10236	0.6
123.04517	2.2
125.02448	1.1
125.06092	1.6
127.04018	6.6
135.04526	0.8
149.02440	1.2
150.03111	0.6
151.04008	4.7
152.04736	1.7
153.02013	0.8
153.05560	1.5
164.04797	1.3
167.03519	0.7
169.05093	0.6
177.01894	1.1
178.02637	1.1
182.02180	1.1
191.03532	0.6
197.19125	2.2
199.17043	1.4
200.19794	0.5
207.17564	2.6
223.17018	5.8
224.17358	1.0
235.20763	0.7
249.18657	0.6
251.20032	0.8
253.21776	0.7
263.20090	1.1
263.23734	0.8
287.20233	0.7
289.21802	2.8
290.22076	0.6
291.19647	8.2
292.20047	2.9
295.19162	7.6
296.19315	0.7
305.21170	7.3
306.21490	1.3
307.22864	2.3
309.20798	2.1
315.19714	0.8
317.17462	0.8
333.20712	30.8
334.20966	4.5
336.19385	3.0
351.21759	100.0
352.22107	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	351.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55725	0.5
57.03451	5.0
59.01371	1.1
65.00312	1.7
68.16953	0.5
81.03462	22.9
82.03797	0.9
82.35625	0.5
83.01389	3.8
83.05029	0.7
95.05035	0.8
98.19872	1.5
107.01379	1.1
107.05029	2.0
109.06595	0.9
111.00831	0.6
119.05064	0.5
123.04522	3.0
125.02454	36.9
126.02798	1.0
133.06601	3.1
135.04504	0.8
136.05170	0.7
137.02469	3.9
142.24837	0.5
151.00388	1.2
151.04028	1.2
151.07690	0.8
154.12720	0.6
167.03497	0.6
169.15985	8.1
170.16220	0.6
179.03542	0.9
181.28629	0.5
240.54446	0.6
241.21693	0.8
261.00436	0.7
265.21704	0.6
267.19647	0.8
307.22946	3.1
333.20679	1.6
339.27551	0.5
351.21762	100.0
352.22134	14.6
352.26334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
63.02394	1.4
65.00335	1.9
69.72372	1.3
69.72784	1.2
73.86095	0.4
80.02700	0.6
83.01394	1.8
95.01377	1.0
107.01391	3.1
108.02186	1.4
109.27702	0.4
111.00867	0.7
115.43282	0.4
123.04510	0.7
124.01656	1.6
125.02457	3.3
134.03778	0.7
136.01711	1.0
137.02489	0.9
148.01709	0.5
149.02470	0.7
149.05898	0.4
151.00381	6.9
152.01141	2.7
159.04561	0.5
161.02451	5.8
164.01208	0.9
167.03429	0.5
175.04062	1.0
176.01157	7.0
176.04706	0.5
177.01935	5.8
178.02577	0.6
189.01962	1.9
190.02722	45.8
191.03429	6.9
203.03506	76.9
204.04202	13.9
205.04568	0.9
206.21129	0.5
215.03484	0.9
215.07021	0.5
217.05074	0.6
218.05704	0.4
229.05072	1.8
241.08760	0.5
243.06384	0.8
257.08240	3.1
258.08902	1.3
259.09686	1.5
269.08231	0.5
273.11331	0.5
335.13010	0.8
349.14182	0.6
351.16019	100.0
352.16342	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	351.1813
Annotation	Desacetyltetraneurin D 15-O-isobutyrate
Peak:m/z	Relative Intensity
55.38716	0.3
57.03468	1.5
58.00957	0.3
59.01376	1.2
63.73603	0.3
65.29343	0.3
69.03455	0.8
69.58293	1.1
69.58697	0.6
71.01373	0.3
71.04675	0.5
71.05029	5.4
80.17744	0.3
81.03464	0.8
83.01398	0.3
83.05030	2.3
85.02961	3.2
87.57664	0.3
95.01408	0.4
95.05042	0.4
96.96045	0.4
97.02961	0.7
97.06574	1.2
98.19897	0.6
99.04515	3.6
107.05039	2.5
108.02161	0.4
109.02956	5.2
109.06573	0.8
111.04523	4.2
113.02454	0.9
116.38168	0.3
121.03020	0.4
122.03745	0.3
123.04537	3.8
125.02419	0.8
125.06082	3.1
125.09704	0.3
127.03132	0.5
127.04027	7.5
135.00883	1.0
135.04515	0.6
136.05284	0.6
137.02417	0.9
139.04103	0.3
148.73160	0.3
149.02432	1.3
151.04019	5.7
152.04871	1.9
153.01938	0.8
153.05556	2.5
154.02675	0.6
162.06924	0.4
164.04784	1.9
167.03525	1.4
169.05078	0.5
177.01962	1.1
178.02773	1.4
178.06351	0.7
180.00546	0.4
181.12410	0.5
182.02213	1.0
191.03510	0.4
192.04295	0.5
196.03763	0.4
197.15468	0.6
199.13377	1.3
205.05103	0.9
223.13391	1.7
233.15446	0.4
235.13390	0.5
247.17120	0.7
249.14890	0.4
251.16467	0.9
263.16592	1.0
273.14975	0.7
289.18115	2.0
290.15225	0.5
291.16034	8.7
292.16605	1.8
293.14050	0.3
295.15500	8.0
296.15912	0.7
305.17578	7.3
306.17981	0.9
307.15863	0.3
307.18991	1.7
309.17093	1.7
315.16025	0.6
319.15552	0.4
333.17087	34.7
334.17398	4.1
336.15787	3.1
351.18134	100.0
352.18472	11.0
352.21844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
56.79935	0.5
57.03447	1.5
59.01381	5.2
65.00327	0.5
69.54522	3.6
71.05023	0.7
73.69833	0.6
78.58211	0.5
79.01900	2.3
85.02964	0.9
85.06598	5.4
91.05560	0.5
97.02965	1.9
98.20585	0.9
101.65966	0.5
107.05023	0.8
109.06599	7.1
111.04527	6.0
111.08263	0.5
123.04530	0.6
124.01667	0.7
125.02456	1.4
133.11369	0.5
135.04530	1.9
136.05299	1.3
138.03230	2.1
139.04036	3.3
151.04018	0.8
153.05592	52.9
154.05951	2.5
161.02393	0.9
165.01959	0.8
166.02730	1.9
179.03525	3.0
180.04257	2.1
191.14403	2.3
193.05063	1.3
205.15997	0.9
207.06602	0.5
217.06993	0.6
229.15982	1.1
247.17035	5.6
261.00375	2.8
269.98645	0.5
291.12659	0.8
291.16080	2.1
307.02554	0.7
307.15530	1.7
307.19110	0.9
323.05704	2.6
333.17151	0.7
340.26141	0.5
351.05499	5.4
351.18155	100.0
352.18512	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	351.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
57.82157	0.3
59.01390	0.9
68.74507	0.3
71.05030	0.5
71.16344	0.9
79.01905	0.7
79.95747	15.7
80.96532	4.3
85.06613	0.8
96.96021	100.0
109.06593	1.4
111.04530	1.0
123.08125	0.3
125.02444	0.8
127.21076	0.3
127.22021	0.5
135.04561	0.5
153.05602	5.8
153.12788	0.4
154.05911	0.4
161.02435	0.6
174.17525	0.3
199.13402	1.4
225.18573	0.5
228.13795	0.4
233.00909	0.3
253.18053	0.6
261.00443	1.4
269.17523	0.8
271.19180	19.2
272.19608	2.2
312.19275	0.3
333.17578	0.4
351.14758	75.7
351.18237	9.6
352.15109	8.3
352.18732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26708	0.3
59.01378	0.6
72.76315	0.3
75.19505	0.3
79.06974	0.3
79.95741	14.7
80.96517	4.0
96.96017	100.0
97.51926	0.3
97.95977	0.4
153.12900	0.3
161.02510	0.5
199.13370	1.4
202.79909	0.3
233.01059	0.4
253.18025	0.7
261.00497	1.6
269.17670	0.9
271.19162	20.2
272.19489	2.1
289.76608	0.4
307.22745	0.3
308.52548	0.3
351.14822	80.7
351.18115	4.0
352.15140	9.1
352.19168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.16
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
57.03444	0.8
59.01382	0.7
63.02398	1.3
65.00316	3.3
71.60533	0.5
81.03467	1.2
83.01395	2.2
90.30548	0.4
92.52589	0.4
95.01373	0.8
106.04230	0.5
107.01392	3.7
108.02179	1.5
111.00928	0.5
118.04257	0.5
119.17022	0.4
123.00894	0.5
123.04535	1.3
124.01677	2.9
125.02454	5.6
136.01625	0.7
137.02457	1.4
138.03223	4.2
142.22949	0.5
147.04500	0.8
148.01653	0.6
149.02451	1.1
151.00380	9.7
152.01181	3.2
153.05576	13.1
159.04497	0.8
161.02467	7.3
164.01137	1.2
165.01985	0.8
166.02713	0.5
167.03494	1.2
175.04057	0.8
176.01138	5.4
177.01903	5.2
178.02513	0.5
187.07693	0.6
189.01947	2.6
190.02722	59.1
191.03455	14.6
192.03978	0.7
193.05031	0.6
196.00040	0.7
199.15094	0.7
203.03505	66.7
204.04185	11.0
205.04646	0.6
215.03555	0.8
217.04897	0.7
229.05038	1.5
241.08722	0.8
243.06573	0.6
257.08179	1.8
258.08875	2.6
259.09717	2.4
269.08270	0.6
295.09741	1.0
309.11325	0.5
321.11163	0.8
333.14874	0.8
349.14487	0.5
351.16010	100.0
352.16373	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.9
55.28925	0.7
57.03442	2.3
59.01381	12.7
68.99825	0.8
69.49735	2.2
69.50145	2.4
71.01388	12.4
72.99311	3.6
73.02958	1.0
75.00874	14.3
77.49690	0.7
83.01347	1.1
85.02956	15.8
87.00878	6.5
89.02429	3.0
95.01392	4.1
96.95998	4.8
99.00903	9.2
101.02441	0.7
101.06088	100.0
102.06413	3.4
103.00346	1.7
104.17648	0.7
111.00861	1.1
113.02454	20.9
114.02827	0.6
115.00373	1.5
117.01946	2.5
129.01926	1.1
156.02246	0.6
157.01443	0.7
175.02460	2.7
188.84486	0.6
208.50800	0.7
231.05132	2.0
249.06142	15.1
250.06435	1.4
267.07217	2.1
333.12027	2.5
351.12988	66.6
352.13345	6.5
355.37140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75098	0.4
57.03447	8.1
59.01381	8.4
61.98831	17.9
66.17123	0.4
67.54400	0.4
69.03433	0.4
69.59298	2.7
71.01386	6.0
71.05016	0.5
72.99297	0.9
73.02945	4.5
75.00884	2.0
83.01392	0.7
85.02953	12.3
86.03244	0.4
87.00887	1.5
87.04510	4.9
89.02454	2.8
95.01372	0.6
96.96005	0.9
97.02962	1.1
98.19926	0.7
99.00877	0.5
99.04508	1.5
101.02439	1.7
101.06078	5.5
103.04012	100.0
104.04342	2.3
113.02464	2.4
115.04024	2.4
117.05571	2.9
119.03487	0.9
125.02412	0.4
145.05055	5.4
157.05112	1.0
161.04611	0.6
175.06100	1.4
231.52196	0.4
247.08211	10.3
248.08539	0.7
249.06261	0.5
260.39551	0.4
265.09213	2.7
291.14267	0.5
296.37509	0.4
307.13193	0.5
321.11954	1.7
333.11755	0.7
351.12958	47.8
351.43140	0.4
352.13208	4.6
359.32925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.145
Annotation	Lambicin
Peak:m/z	Relative Intensity
54.11816	0.7
57.03445	1.0
59.01384	57.3
62.34715	0.6
69.38567	4.6
69.38970	1.1
71.05029	4.9
83.05019	1.9
85.02946	3.2
96.96023	3.7
97.06618	0.9
99.04523	5.4
107.05041	1.6
109.02979	3.7
109.06572	1.1
109.37875	0.7
111.04541	2.0
113.02508	0.9
123.04533	2.1
125.02427	2.1
125.06091	2.4
127.04027	8.9
135.04575	1.5
139.03989	1.2
151.04008	6.3
152.04753	2.0
153.05533	2.6
161.02496	1.0
164.04770	2.8
165.05554	0.8
167.03537	1.3
168.55789	0.7
169.04977	1.4
177.01942	2.0
177.05583	1.3
177.28171	0.6
178.02705	0.8
178.06364	2.0
189.01927	0.7
191.03587	1.2
206.05856	1.3
229.12469	0.8
231.10263	2.5
235.09811	3.4
245.11790	2.0
247.13280	1.5
249.11278	1.9
261.00287	3.2
273.11359	10.4
274.11859	0.9
276.10217	0.9
289.18085	0.8
291.12469	4.1
291.15439	0.7
295.11963	2.9
305.13892	3.2
305.17151	0.9
307.22668	1.2
309.13361	0.9
319.15427	1.5
333.13467	20.4
333.17166	2.8
334.13721	2.6
336.12106	1.7
351.14474	100.0
351.18167	8.6
352.14780	10.1
352.18753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2387
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
59.01406	0.7
65.00326	1.8
69.47727	1.8
69.48152	1.8
85.02941	1.2
92.35226	0.5
95.01386	4.3
96.96021	2.2
97.02972	0.7
111.04459	0.6
123.00906	2.0
124.01675	25.7
124.02605	1.2
125.02444	1.6
130.35796	0.6
137.02415	1.1
138.03204	1.6
139.04012	8.9
149.99698	0.6
151.00331	3.3
152.01166	30.1
153.01411	1.0
165.01964	3.0
166.02721	9.0
167.03143	0.6
167.06961	0.6
179.03510	11.9
180.04033	1.2
193.05084	1.7
207.06633	0.6
221.08243	2.2
235.09802	1.9
249.11310	1.6
254.91936	0.5
263.12921	1.0
277.14468	1.6
278.49100	0.5
291.16168	1.2
305.17645	1.3
317.20850	0.7
349.23859	100.0
350.24249	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	351.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50980	0.5
57.03450	0.8
59.01094	1.0
59.01382	15.8
61.98829	11.0
71.01366	1.5
71.61280	0.7
73.02951	2.2
79.95734	2.9
83.05032	0.7
85.02984	0.8
87.04503	0.7
95.04995	0.6
96.96015	100.0
101.02469	0.7
101.06084	11.0
104.81742	0.5
105.03465	0.6
117.03453	0.6
118.75232	0.6
133.02971	1.8
137.09712	0.6
161.02429	6.4
163.04048	0.7
167.10696	0.6
189.01898	2.4
202.99893	0.6
211.13484	0.6
217.01437	1.1
227.07050	1.3
233.00899	1.9
245.00797	1.1
261.00400	15.3
262.00717	1.2
263.09537	0.8
271.15527	10.6
272.15930	0.7
289.11072	1.5
291.09067	2.1
307.12311	1.6
351.11182	61.2
352.11496	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01381	12.5
67.91508	0.5
69.67216	2.3
69.67627	1.0
71.01388	12.4
72.99320	3.0
73.02951	1.7
75.00878	13.5
83.01423	0.7
85.02964	15.8
87.00873	6.7
89.02460	2.0
95.01395	4.9
96.96018	3.4
99.00889	9.0
101.02483	1.1
101.06091	100.0
102.06425	2.6
103.00370	2.0
106.39965	0.5
111.00940	0.6
113.02453	18.9
115.00390	2.1
116.95580	0.6
117.01968	2.2
128.77611	0.6
129.01955	1.2
152.72560	0.7
175.02458	2.0
205.16620	0.5
231.05098	1.4
249.06166	15.4
267.07230	1.7
291.10840	0.6
333.11874	3.0
351.12988	64.8
352.13330	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	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
57.24186	0.2
59.01368	0.8
65.00314	1.3
69.03481	0.4
69.51109	1.9
69.51528	0.7
81.03465	14.9
83.01395	3.0
83.05022	0.3
93.03455	0.6
95.01378	0.7
95.05022	1.1
107.01390	1.3
107.05038	0.8
109.06592	5.7
113.09724	1.5
119.05011	0.3
121.02959	0.4
122.03747	4.1
123.04534	7.4
124.01649	0.5
125.02458	13.1
126.02789	0.5
135.04550	1.4
137.06079	0.3
139.00380	0.4
147.08130	0.4
149.09760	1.7
151.00412	1.8
151.07664	1.1
152.01157	0.7
153.05641	0.5
162.03201	1.2
163.11275	0.9
166.02667	0.4
167.03525	3.0
173.09789	0.4
179.03514	2.1
180.04294	0.3
191.10789	9.3
192.11136	1.0
217.08734	0.5
235.09744	3.5
256.82880	0.3
263.20261	0.5
265.18082	1.2
287.20355	0.5
305.21240	1.2
305.24506	0.3
349.20212	100.0
350.20557	12.9
352.58606	0.3
355.28104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2385
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
56.87047	0.7
57.03455	1.3
59.01374	1.2
59.03078	0.8
65.00309	1.1
69.59897	5.5
70.57133	0.8
80.17327	0.7
81.03461	16.6
83.01410	1.5
85.94075	0.6
94.36977	0.7
95.05031	2.6
107.01396	0.9
109.52016	0.7
121.02940	0.8
122.03725	2.3
125.02432	4.6
139.04041	4.5
149.25441	0.7
151.00337	1.3
251.20334	1.2
263.23871	5.4
263.92984	0.8
265.21762	5.7
305.24896	40.6
306.25238	7.3
331.22910	1.1
349.23840	100.0
350.24152	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	349.2385
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
55.01883	0.7
57.03437	0.6
59.29300	0.3
71.45326	0.6
79.01906	1.6
80.02702	0.6
81.03472	0.6
87.04526	1.4
95.05028	0.7
99.08157	3.2
107.05038	0.7
111.04514	0.6
112.73030	0.3
115.77405	0.4
121.06599	1.2
123.08172	11.3
124.08489	0.6
133.13078	0.3
135.04509	0.6
140.16257	0.3
149.06129	2.0
152.04810	0.8
163.07668	1.0
167.07129	11.0
180.04356	0.4
181.15959	0.8
193.04996	1.7
199.17052	1.5
207.06615	0.5
223.17027	2.5
224.17455	0.4
235.20683	6.5
236.20935	0.7
263.23697	0.4
282.43710	0.4
305.24863	39.1
306.25232	5.1
331.22531	0.9
334.21387	0.5
334.63422	0.4
349.23843	100.0
350.24182	14.8
359.79312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74527	0.6
70.18327	1.9
70.18744	1.4
70.54833	0.7
77.03964	0.7
79.01898	5.1
81.03461	0.7
96.96030	0.7
103.01923	1.9
105.03471	3.7
107.05106	1.0
107.11397	0.7
110.03959	0.6
111.04552	5.0
121.02975	1.0
135.04533	5.7
136.01660	1.9
137.02469	1.1
138.03233	18.8
147.87874	0.7
151.04016	4.2
153.05589	66.3
154.05936	3.0
164.01195	4.6
165.02002	3.9
166.02710	8.6
175.07626	1.0
179.03520	27.7
180.03987	2.1
191.03513	19.8
192.03876	0.9
205.05125	1.6
219.06633	8.6
220.07359	0.7
235.09763	2.8
249.07671	0.9
263.09369	1.0
297.22241	0.7
313.75775	0.8
333.17029	0.9
334.17892	1.1
341.76196	0.8
349.20224	100.0
350.20609	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	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
57.38927	0.3
59.01384	0.9
63.02406	0.3
65.00326	4.6
67.01884	0.8
69.03432	0.6
70.13046	1.4
79.05544	0.5
81.03465	16.2
82.03809	0.4
83.01398	4.1
83.05022	0.4
93.03471	0.6
95.01405	0.4
95.05016	0.7
97.06605	0.6
105.03445	0.4
106.04239	0.9
107.01405	4.5
107.05035	2.0
109.02901	0.4
119.05023	2.5
120.05849	0.3
121.02970	0.7
121.06617	3.8
122.03745	4.5
123.04552	2.4
124.01676	1.6
125.02455	13.7
126.02766	0.4
130.04295	0.3
133.06590	0.4
134.03714	0.4
135.04536	0.9
135.08159	1.7
137.06015	0.6
138.50267	0.3
141.12885	0.5
145.06598	1.3
147.04599	0.4
148.05267	0.8
150.06845	0.3
151.00380	8.1
152.01079	1.0
153.05510	0.3
156.15901	0.3
163.07658	9.1
166.02698	0.4
174.03313	0.4
188.04858	0.4
189.05460	0.7
207.06610	4.0
221.19026	0.3
223.16893	0.3
245.19083	0.4
247.16640	0.3
263.20224	0.8
265.18094	1.6
287.20221	0.5
305.21225	5.5
307.19037	0.8
313.18198	0.5
313.94214	0.3
331.19080	1.0
349.20209	100.0
350.16260	0.6
350.20575	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	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52565	1.0
56.46861	0.8
57.03448	6.5
58.93315	0.9
59.01357	1.0
59.01647	0.8
62.90991	0.8
65.00312	1.6
69.03465	1.9
69.33237	9.0
70.60924	0.9
81.03461	16.8
82.03757	1.1
83.01395	3.7
95.05014	1.6
98.20594	1.4
107.01393	1.5
107.05030	1.2
109.06588	8.0
111.04531	3.3
123.04531	29.3
124.04807	1.3
125.02451	26.6
135.04517	3.3
138.03255	0.8
151.00369	2.5
151.07651	22.7
153.05600	4.7
153.78500	0.9
167.03503	28.9
168.03830	1.4
169.16037	4.2
177.05617	1.6
179.03502	11.2
207.06537	1.3
214.33006	1.0
294.36566	0.9
303.60306	1.2
349.20206	100.0
350.20566	12.3
351.92340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.4
65.00324	0.6
69.99703	1.5
70.28446	0.2
81.03456	2.0
83.01394	10.5
87.00058	0.2
90.87437	0.3
98.20612	0.3
98.53960	0.2
107.01414	0.7
107.31387	0.2
109.84081	0.3
112.91289	0.3
121.02950	1.0
123.04498	1.6
125.02454	100.0
126.02788	3.1
139.83044	0.3
149.02426	1.5
151.00404	0.4
153.05611	0.4
167.03452	1.7
223.17050	5.9
224.17406	0.7
277.63406	0.2
349.20230	5.1
349.24094	0.6
350.20578	0.9
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	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03445	2.5
59.01362	0.6
61.54009	0.4
69.53465	3.6
79.01907	3.5
80.02664	0.5
81.03469	6.7
83.01414	0.6
83.05053	4.3
84.54381	0.5
85.06592	6.4
93.03443	0.6
97.02952	2.8
107.05038	1.5
108.63908	0.5
109.06596	19.9
109.70171	0.4
110.06933	0.7
111.04517	6.5
111.08178	2.5
119.89428	0.5
122.03722	0.6
123.04545	0.9
125.02434	3.6
127.11282	1.5
129.09227	0.7
135.04510	2.0
136.05344	0.6
137.09732	4.5
145.02681	0.4
145.62173	0.5
147.08179	0.6
151.04047	1.0
151.11319	0.7
153.05585	40.0
154.05949	1.4
162.16283	0.5
163.07648	0.8
175.11269	2.6
179.03522	2.2
180.04247	0.8
191.03598	0.6
193.12369	1.5
195.13911	3.2
219.10251	5.7
219.13744	0.6
220.10492	0.6
231.17606	0.6
239.20454	0.5
287.20245	0.5
289.39520	0.5
305.21234	4.6
306.21634	0.5
307.19476	0.6
313.18182	0.6
315.58765	0.5
331.19083	6.1
332.19629	0.8
349.20206	100.0
350.16312	0.8
350.20544	14.3
363.57993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91490	0.2
55.01879	0.7
61.29945	0.2
63.76641	0.2
67.34584	0.2
69.71886	0.9
69.72307	0.4
74.75857	0.2
79.01916	0.5
85.06598	15.3
86.06931	0.7
97.02960	2.8
109.06582	1.1
111.04529	4.9
122.04953	0.3
125.02414	0.4
135.04541	0.3
138.03244	0.4
151.07693	0.3
153.05586	100.0
154.05934	4.5
177.05559	0.6
179.03549	0.4
195.06656	0.5
195.13922	5.6
196.14195	0.5
349.16669	0.2
349.20169	5.9
349.27087	0.5
350.20502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77137	0.4
55.01888	1.0
55.72375	0.4
57.03445	1.0
69.63177	1.4
69.63586	0.8
74.54209	0.3
79.01898	6.7
81.03474	2.5
85.06599	3.5
91.05531	1.5
95.05076	0.6
97.02959	1.9
107.05074	0.6
109.06601	5.4
111.04529	5.7
121.06624	0.5
122.03764	0.6
123.04559	2.5
125.02444	1.4
133.06573	0.6
135.04536	8.0
135.08170	1.4
136.05296	1.5
138.03212	0.4
148.05305	0.4
149.09700	1.5
151.03981	2.2
152.04808	1.8
153.05592	29.7
154.06006	1.8
163.11270	0.5
165.01884	0.4
173.09698	0.6
174.06940	0.4
179.03517	10.1
180.04279	4.4
189.09175	1.0
191.10789	3.3
193.08698	0.4
194.05879	0.6
205.05116	0.6
217.08557	0.5
235.09766	4.4
246.41093	0.4
287.20273	0.4
289.14270	0.5
303.19827	0.6
305.21277	0.8
313.17776	0.4
321.20673	0.5
331.19067	0.9
342.63651	0.4
349.20215	100.0
350.16223	0.6
350.20541	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	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15599	0.4
57.03456	4.8
59.01390	0.4
63.30536	0.4
64.54755	0.4
65.00330	2.1
67.12363	0.4
69.76055	1.0
69.76453	2.3
81.03465	35.5
82.03783	1.3
83.01400	5.4
83.05035	10.2
95.05048	0.7
107.01396	1.4
107.05035	0.8
109.02908	0.7
109.06628	0.5
111.97334	0.4
114.88633	0.4
119.05017	0.7
123.08167	11.7
125.02456	18.6
125.06116	0.8
126.02791	0.7
126.15301	0.4
137.06104	1.4
138.36119	0.5
147.08163	1.8
149.06107	1.7
151.00386	2.2
155.14487	2.0
157.12364	0.8
165.09195	8.7
182.97569	0.5
191.07159	3.8
195.17552	1.0
221.19110	2.9
223.17052	6.7
223.19138	0.7
224.17462	0.7
245.19086	1.0
247.17084	0.8
263.20306	0.5
265.17856	0.5
291.26324	0.4
296.96011	0.4
301.85236	0.4
305.21225	3.2
331.19226	5.1
332.19757	0.6
349.20209	100.0
350.20572	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	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03445	3.7
69.55447	1.4
69.55850	3.5
77.03947	0.9
77.54718	0.7
79.01914	1.1
85.06602	4.6
95.05016	0.8
97.02947	2.2
109.06613	3.4
111.04513	5.0
113.58748	0.6
125.02459	3.2
128.86711	0.7
131.97282	0.7
135.04544	1.0
137.02429	1.1
138.02213	1.2
138.03233	19.5
139.03690	0.8
141.12885	4.1
149.02460	0.7
149.06117	1.0
151.03998	1.1
152.04793	1.1
153.05579	85.2
154.05919	3.8
164.01100	1.4
164.04781	1.8
165.01907	2.4
165.05586	1.0
165.09222	1.4
166.02719	1.9
177.05627	1.1
179.03549	4.8
180.04280	19.9
181.04610	1.1
192.04288	1.8
193.05061	11.3
195.06621	16.1
196.06934	1.2
204.74855	0.6
207.06645	6.5
261.00403	0.7
261.22256	0.9
277.67752	0.7
305.21292	2.7
321.20718	1.6
330.26654	0.6
331.18915	1.5
349.20169	100.0
350.20496	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	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
64.99992	1.2
65.00329	19.1
69.03436	0.8
69.46558	4.5
81.03458	11.6
83.01378	2.0
93.03456	0.7
95.05038	1.5
97.06596	2.8
98.19820	1.4
107.05018	1.9
109.02939	1.1
119.04946	0.6
119.08697	1.4
121.06606	3.9
122.03746	4.0
123.04506	2.3
124.35880	0.6
125.06100	1.1
133.06590	0.7
135.04523	4.4
137.02444	2.5
141.12856	2.7
148.05284	1.8
151.17107	0.5
151.94580	0.6
163.07645	7.7
179.41664	0.7
183.17587	0.7
207.17531	0.9
209.82788	0.5
213.99309	0.6
221.19092	3.1
235.17212	0.6
260.83755	0.6
263.20029	0.7
287.19986	1.4
305.21207	44.4
306.21628	5.8
307.19131	9.3
308.19583	1.5
349.20197	100.0
349.81497	0.8
350.16315	0.7
350.20547	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	349.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68103	0.3
57.03456	2.9
59.01381	18.3
61.26452	0.3
63.02414	0.3
65.00328	1.9
81.03460	17.9
83.01390	2.3
83.05025	0.6
86.44009	0.3
97.06623	0.4
97.61473	0.3
107.01383	1.3
111.88789	0.4
120.63097	0.4
122.03758	2.6
123.04556	0.8
123.08156	0.9
125.02457	7.8
126.02756	0.5
135.04483	0.9
151.00407	1.7
152.01115	0.5
162.03241	0.4
162.04578	0.4
163.11285	0.8
166.02631	0.5
167.07108	0.7
179.03476	0.6
179.14348	0.5
181.12314	0.7
203.14426	1.5
205.12303	2.5
221.08083	0.4
221.15407	1.6
245.15465	33.5
245.52501	0.4
246.15804	3.3
263.16541	2.0
265.14502	0.6
271.13327	0.7
287.20294	0.6
289.14453	38.1
290.14813	4.6
305.14343	0.6
305.17636	9.7
305.21033	0.6
306.18002	1.3
307.15442	4.7
308.53806	0.4
349.16556	100.0
349.20105	6.7
350.16907	13.5
350.20367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1657
Annotation	7alpha-Hydroxyeurycomalactone
Peak:m/z	Relative Intensity
57.03454	2.0
59.01386	1.6
65.00319	2.1
69.03451	1.7
71.05027	4.7
71.59861	0.8
81.03458	1.5
83.01385	0.8
85.02972	2.6
95.05007	1.3
96.96035	0.9
97.02981	5.6
97.06570	0.9
99.04561	1.5
105.03482	0.9
107.05023	0.9
109.02958	4.4
109.06590	1.3
111.04542	2.0
117.18837	0.8
121.02940	2.4
123.04519	4.7
124.01672	30.9
125.02506	4.8
125.06078	2.3
127.04025	3.2
133.03006	0.8
138.03134	1.1
139.04019	100.0
140.04326	3.7
148.01649	1.4
149.02406	0.9
151.04019	2.4
153.05573	2.9
161.02347	1.1
163.00345	1.1
163.04022	2.9
165.01907	1.7
166.02737	3.9
174.53011	1.0
177.01932	6.5
177.05482	1.5
178.02675	2.4
181.05054	8.0
182.05470	1.3
197.11792	1.5
205.01491	0.9
209.11836	2.9
219.06821	1.1
221.04556	9.9
233.00934	1.2
276.99884	2.3
287.16541	2.3
289.14456	3.8
293.13940	2.8
303.15918	2.3
305.17410	1.6
307.15399	1.0
331.15533	16.2
332.15793	2.2
334.14001	1.6
348.98233	1.1
349.16525	65.3
349.19696	2.9
349.23801	2.6
350.16898	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	349.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03456	4.5
58.00609	1.3
59.01096	1.0
59.01387	17.2
69.30508	2.0
69.30930	3.2
71.01387	11.2
71.04515	0.5
72.99323	1.5
73.02949	1.0
77.98082	0.5
79.95767	1.3
83.01397	1.1
85.02962	29.4
87.00909	1.2
87.04544	1.6
89.02486	1.6
89.41691	0.5
95.01422	0.6
95.95225	0.7
96.96024	8.8
97.02960	0.5
99.00899	1.0
99.04528	1.6
101.02462	4.2
101.06094	66.7
102.06434	1.7
103.04021	36.8
104.04394	1.7
107.01411	0.5
113.02462	0.6
113.06120	1.3
115.07661	69.5
116.08045	1.9
117.03452	0.5
117.05584	0.9
125.02448	1.0
125.89071	0.6
143.07144	6.3
145.05090	1.8
149.02470	1.1
159.06737	0.8
173.08250	0.7
202.99933	1.0
203.09267	1.1
233.00917	1.0
247.08217	0.7
261.00504	0.8
265.09308	0.9
276.99985	1.8
286.98511	0.7
349.15140	100.0
350.15512	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	349.1658
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
57.03447	8.9
58.00600	3.7
59.01387	7.6
65.00328	0.7
69.03479	0.7
70.68896	1.2
70.69269	1.2
71.01390	0.6
71.05017	1.1
80.44855	0.6
81.03465	13.9
83.01397	4.2
83.05038	0.9
84.02191	0.9
85.02951	1.3
93.03451	0.8
95.01397	1.6
95.05045	1.2
95.65735	0.5
96.96021	2.1
97.06614	0.8
107.01402	0.7
121.02953	0.6
122.03771	1.5
123.04523	1.0
124.01662	2.5
124.35994	0.6
125.02454	82.9
126.02773	3.5
135.04503	1.0
137.02457	0.9
137.66113	0.5
139.04016	3.6
149.02393	0.7
151.00398	2.2
152.01155	1.8
153.05606	0.9
166.02696	1.3
177.02054	0.7
179.03543	2.2
179.14465	1.0
191.10948	0.6
195.13974	1.0
202.99854	0.7
203.14485	1.2
208.56795	0.6
217.15993	0.7
219.17676	0.7
221.15480	2.1
223.13467	0.9
227.14549	0.6
233.00980	0.6
235.09663	0.6
235.17012	0.8
239.16563	0.7
245.15437	1.8
247.13565	0.5
247.16995	1.0
259.17123	0.6
260.55692	0.5
263.16495	2.4
276.99860	0.9
277.18152	1.2
286.98596	0.8
287.16516	1.2
291.15891	0.7
303.15958	0.6
305.14297	0.6
305.17581	2.6
331.15491	1.1
349.16577	100.0
350.16953	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	349.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
59.01382	33.8
69.55164	6.6
79.01898	4.2
80.32192	0.9
85.06577	6.2
88.07555	1.0
97.02964	2.3
98.20596	2.2
98.46255	0.9
109.06614	6.8
111.04528	7.4
125.02423	1.3
135.04547	4.6
147.00600	0.9
151.03983	3.1
151.07675	1.7
152.04843	1.2
153.05588	26.3
154.05945	2.1
177.09143	0.9
179.03496	2.7
180.04230	1.2
180.45943	0.9
189.12775	1.3
193.05032	1.0
195.06691	1.5
207.06604	1.3
243.13728	1.4
245.15431	8.4
271.13226	1.4
289.14456	39.8
290.14862	4.8
305.17557	2.8
305.21152	2.2
307.15540	8.3
349.16550	100.0
350.16888	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	349.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26299	1.4
57.03436	3.5
59.01094	2.3
59.01379	30.8
61.98843	7.6
65.94879	1.3
66.32882	1.4
67.01885	1.9
71.01382	34.8
72.99319	7.4
73.02940	5.0
75.00867	31.4
79.95747	2.3
81.03442	1.7
83.01359	2.2
85.02952	30.9
87.00864	11.4
89.02457	10.8
95.01367	6.9
96.95443	2.4
96.96016	22.6
98.19852	3.8
99.00887	16.3
99.04520	100.0
100.04869	2.9
101.02441	4.9
103.00323	2.3
103.03985	1.9
113.01695	2.8
113.02448	48.5
115.00373	2.4
117.01929	6.1
119.12228	1.4
120.99662	3.8
129.01920	3.5
137.05775	1.6
161.04488	2.5
175.02385	5.0
180.40752	1.7
189.04158	1.6
205.07187	2.6
231.04974	4.5
249.03772	2.5
249.06174	40.2
250.06523	1.9
260.03589	3.4
261.04010	1.7
267.07236	37.9
268.07343	2.0
271.06149	2.5
277.00049	1.7
331.09937	2.3
349.06049	6.7
349.11273	80.5
349.18359	2.5
350.11520	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	349.1142
Annotation	Prodiamine
Peak:m/z	Relative Intensity
54.83162	1.0
55.01885	2.1
57.03447	3.8
58.00586	1.2
59.01387	44.9
65.50477	1.0
67.01891	1.6
69.03470	2.0
69.82792	3.9
71.01391	45.1
72.99300	7.4
73.02959	4.1
75.00877	21.9
79.95732	1.3
83.01402	3.1
85.02962	31.9
87.00874	8.8
89.02454	23.6
95.01391	9.9
95.95219	1.3
96.96021	27.5
98.19903	2.3
99.00898	14.9
99.04531	100.0
100.04855	2.3
101.02465	15.7
103.00399	2.7
108.09544	1.3
113.02463	40.1
114.02799	1.2
115.00410	2.7
117.01933	4.4
119.03522	7.3
129.01970	2.3
131.03526	1.8
143.03532	1.7
161.04562	5.1
175.02472	4.4
179.05669	2.9
187.13359	2.6
199.15089	1.1
205.07132	1.3
231.05144	3.9
249.06174	35.0
250.06526	2.6
260.03699	3.0
261.04327	2.2
267.07208	23.5
269.10397	1.8
331.10300	2.6
349.06094	13.7
349.11401	76.0
349.18134	13.3
350.11676	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	348.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00712	0.7
69.75900	3.2
71.05023	2.4
79.01902	1.3
81.03468	2.5
82.03784	0.9
85.02958	5.1
95.05042	6.8
95.17551	0.7
96.05396	1.7
97.02959	2.3
121.02975	1.1
125.02061	1.0
126.02124	0.8
139.04033	7.1
140.04417	3.7
151.00352	0.8
155.57396	0.7
165.01923	1.3
166.02480	1.1
180.03917	1.1
181.03957	3.7
182.04358	1.7
183.10979	0.8
249.18556	0.7
250.18939	2.4
262.22626	1.4
264.20474	0.7
275.66702	0.9
276.12067	1.1
303.23373	1.7
304.23624	28.9
305.24091	2.1
330.21783	1.3
348.22501	100.0
349.23123	8.1
349.27618	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	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98553	0.8
63.99261	0.8
71.08482	1.0
87.42310	0.4
162.98502	1.4
180.22131	0.4
204.00046	1.5
205.00092	4.1
205.99739	5.3
206.97466	69.9
207.61520	0.5
207.97559	5.3
258.55200	0.4
267.99664	0.4
316.79947	0.5
349.31750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
61.98827	1.3
69.30444	5.3
69.30853	3.2
71.01387	5.2
73.02966	2.0
85.02951	2.6
89.02452	3.8
96.96010	4.4
97.96598	1.0
98.57507	0.9
99.00871	1.1
101.02449	3.1
113.02419	1.5
119.03519	2.0
133.06653	2.0
147.04437	1.7
159.04532	3.8
161.04587	2.4
161.06021	1.8
175.04033	1.5
177.05508	1.2
187.04007	5.6
187.05702	1.2
189.01907	1.8
189.05569	3.4
190.02718	11.2
192.39529	0.8
193.01416	1.0
193.02945	1.0
203.03485	6.0
204.04213	2.7
205.05061	16.8
206.05437	1.6
213.01958	1.3
215.03542	1.8
217.01395	8.4
217.05106	3.1
218.02180	6.7
219.02898	2.0
231.02992	16.5
232.03302	1.3
233.04646	6.6
240.00987	0.9
246.01678	17.4
247.02266	1.9
249.56644	0.9
259.02487	30.1
260.03009	2.7
261.04041	100.0
262.04428	7.4
287.01984	35.8
288.02390	4.6
305.03033	50.4
306.03323	4.2
331.01041	11.8
338.34424	1.0
349.02051	17.7
349.06247	1.3
349.14944	1.0
349.18954	1.5
350.02106	2.1
361.58643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2592
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
50.25051	0.5
50.70226	0.5
54.22892	0.5
61.64544	0.5
65.00327	3.3
67.01913	0.6
69.56441	2.7
69.56851	1.3
71.29211	0.5
81.03442	0.5
83.01376	0.7
83.05002	0.8
85.31956	0.6
95.01373	0.8
95.05045	1.3
97.02944	2.4
102.15054	0.5
104.79433	0.5
121.02952	0.9
123.00935	0.7
124.01665	2.1
137.02489	2.9
139.04019	2.4
151.00395	1.2
152.01169	1.8
165.01933	13.4
166.02509	1.0
177.01944	11.8
179.03526	2.0
187.68565	0.6
191.03464	1.0
205.05093	1.6
263.23776	0.8
270.43744	0.5
298.75311	0.6
303.26935	100.0
304.27283	14.5
305.24829	24.1
306.25134	2.3
347.22156	38.4
347.25940	83.2
348.22513	4.6
348.26254	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	348.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
71.61015	0.3
72.04571	2.6
74.02477	93.9
75.02817	1.0
75.23301	0.3
79.95739	1.8
95.95271	0.9
96.96016	100.0
101.06107	0.6
121.02921	0.6
125.01165	0.5
139.71927	0.3
144.98375	0.4
166.12357	0.4
187.00186	0.4
210.03326	0.4
213.54060	0.4
222.13893	0.3
230.99365	0.5
250.14305	0.5
268.15555	34.4
269.15881	2.3
273.08112	4.5
276.99905	0.6
304.12131	0.9
329.06873	0.4
348.11221	56.7
348.98776	0.4
349.11655	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	348.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21394	0.3
59.01390	1.6
63.65775	0.2
63.96271	0.3
70.13737	1.3
71.01391	0.5
72.04540	1.4
72.37761	0.3
74.02479	59.8
75.02802	0.7
78.14663	0.3
79.95747	2.0
85.03033	0.3
89.02444	0.4
94.80773	0.3
96.96017	100.0
98.95614	0.4
101.02429	0.3
101.06065	0.3
121.02971	0.3
132.69312	0.3
136.51642	0.3
152.10796	0.4
196.09793	0.6
205.01375	0.3
268.15549	21.0
269.15796	2.3
273.07977	1.6
277.00024	0.4
286.98593	0.4
304.12222	0.4
348.11221	49.0
349.11475	4.4
349.14822	0.4
351.30804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03195	0.4
57.03453	6.3
63.02391	0.7
65.00327	5.9
67.01889	0.4
69.82401	2.1
70.76644	0.5
73.27020	0.4
79.05531	1.3
80.02654	0.4
81.03460	11.8
81.75332	0.4
83.01395	6.7
93.03465	0.7
95.05035	8.6
103.05560	0.5
105.03453	1.7
107.01403	5.8
108.02206	0.6
117.07083	0.4
119.05018	1.0
121.06602	9.5
122.03759	2.6
123.04536	10.9
124.01666	2.2
125.02454	28.9
126.02794	0.9
137.06093	14.9
139.11272	0.5
145.06580	1.5
146.03746	0.5
147.04527	8.7
148.05234	0.9
149.02467	0.8
151.00377	12.8
152.01135	0.9
155.14426	9.0
162.06844	0.6
163.07664	6.1
165.05556	0.8
166.02666	0.7
167.03479	1.6
174.03372	0.4
181.16008	1.6
182.56761	0.4
183.31387	0.4
188.04842	1.0
189.05582	6.1
191.03555	2.7
192.04193	0.3
219.17569	1.4
221.15471	0.7
243.17574	0.8
245.15385	0.4
261.18658	2.4
263.16406	0.9
285.18619	1.2
287.16837	0.4
288.17294	0.4
303.19656	2.4
305.17499	0.7
318.09290	0.4
329.17593	7.0
330.18066	0.9
338.25659	0.4
347.18637	100.0
348.19003	13.2
348.22375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.5
58.03794	0.3
60.03939	0.2
63.02414	0.4
65.00319	0.4
69.48183	1.6
74.96867	0.2
75.63042	0.2
81.03475	2.4
81.95966	0.2
83.01392	9.8
85.02952	0.7
92.80322	0.2
98.20655	0.5
105.03449	0.3
107.01392	0.8
121.02975	0.6
123.04530	1.2
125.02452	100.0
126.02782	3.3
149.02403	1.3
150.96822	0.2
151.00391	0.5
167.03485	2.0
190.02737	0.4
220.37909	0.2
221.15488	4.2
222.15901	0.3
253.21802	0.2
287.15540	0.3
288.44257	0.3
347.18619	7.8
347.22369	2.7
348.18912	1.1
348.22720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1865
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
57.03181	0.8
57.03455	11.0
59.01376	0.9
61.12429	0.4
62.03973	0.5
62.19283	0.4
65.00344	0.4
69.59772	3.0
69.96274	0.4
70.44472	0.4
81.03466	2.0
83.01395	7.8
85.02955	6.6
98.20609	0.5
105.91009	0.4
107.01384	0.8
107.57565	0.5
123.04538	8.4
124.04862	0.5
125.02457	100.0
126.02798	4.2
139.00328	0.5
149.02477	1.1
151.00372	1.4
151.04037	0.6
167.03502	15.8
168.03789	1.0
179.03532	1.0
185.81085	0.4
190.02591	0.8
194.05835	0.5
221.15492	4.3
226.84337	0.4
237.88441	0.4
279.75235	0.4
291.16232	0.6
301.18079	0.8
329.17587	1.6
347.18640	16.5
347.22360	6.1
347.25946	2.1
348.19025	1.9
348.22751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
63.02401	0.3
65.00323	2.3
67.55019	0.2
69.03452	1.4
71.44866	0.3
77.63776	0.2
79.20062	0.2
81.03442	0.2
83.01392	0.8
85.02956	0.5
89.00352	0.4
91.01912	0.6
93.03463	1.3
95.01397	5.0
95.05019	0.3
96.02189	0.3
97.02963	1.8
107.01379	1.0
107.05054	0.4
109.02946	0.4
111.00898	0.3
111.04531	2.8
115.28691	0.2
121.02961	0.5
123.00895	1.9
123.04511	0.4
124.01675	12.8
125.02565	1.1
130.15445	0.2
135.04532	4.1
137.02438	2.9
138.03258	2.2
139.00432	0.4
139.04024	9.9
140.04343	0.4
143.57870	0.2
149.99623	0.5
151.00388	5.5
151.04027	1.9
152.01169	10.2
153.01500	0.4
164.01178	1.4
165.01941	5.4
166.02725	10.9
167.03114	0.6
173.40083	0.2
178.02647	0.2
179.03506	47.2
180.04047	3.5
193.05042	1.1
198.01727	0.3
203.10820	0.8
207.32297	0.2
212.03259	1.3
233.00456	0.2
233.08171	0.8
234.08936	0.4
247.09753	8.1
248.10242	0.9
258.56686	0.2
261.11349	0.4
271.20636	0.5
275.12924	0.6
289.14560	0.5
303.16025	0.5
308.52087	0.2
315.19550	0.3
317.17432	0.2
347.22281	100.0
348.22632	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	347.2228
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.93594	1.0
53.84401	1.0
59.01388	1.0
65.00303	1.2
65.03918	1.2
70.59846	1.0
71.05016	2.1
72.03649	0.9
79.01902	1.6
81.03457	3.0
83.01376	1.1
95.05034	9.5
97.02934	1.5
121.02991	2.1
122.03769	1.3
125.02434	1.3
135.04497	1.5
137.06052	5.9
139.04001	11.4
164.23366	0.9
165.01927	1.3
179.03557	1.4
193.62950	1.1
249.18672	1.8
303.23318	26.0
304.23599	2.5
347.22284	100.0
348.22607	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	347.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03450	1.1
65.03963	0.4
69.64043	1.2
69.64468	2.0
74.50924	0.4
79.01900	3.4
83.01373	0.5
85.06590	4.1
91.05515	0.9
93.37284	0.4
95.05039	1.7
97.02956	1.3
107.05035	0.9
109.06604	5.3
111.04533	7.0
119.04441	0.4
123.04508	0.5
135.04523	3.1
136.05278	0.9
149.06111	0.5
151.04034	1.1
151.07664	3.0
152.04797	0.8
153.05583	23.4
154.05923	1.2
162.06874	1.5
179.03453	2.1
180.04240	1.0
193.05098	0.5
195.06665	2.4
207.06721	2.3
235.17009	1.0
247.20793	0.7
303.23312	10.3
304.23627	1.2
347.22287	100.0
348.22614	13.0
366.04166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18705	0.3
55.68319	0.4
57.03448	4.6
59.01394	1.0
61.22996	0.4
63.02366	0.5
64.09766	0.4
65.00339	2.1
69.03466	0.7
69.91696	1.1
69.92104	1.1
71.05021	1.4
81.03465	16.2
82.03797	0.6
83.01400	3.4
83.05013	2.3
84.59400	0.4
93.03445	0.6
93.56245	0.3
95.01386	0.5
95.05042	1.3
97.12755	0.4
107.01389	1.9
107.05075	0.6
107.08716	0.6
109.06610	0.8
122.03761	2.1
123.04543	6.9
123.08174	0.8
124.01685	0.6
125.02457	16.4
135.04509	1.6
135.08136	0.6
149.09718	1.1
151.00418	3.1
155.28204	0.4
162.03239	1.0
163.11328	0.9
166.02750	0.7
167.03514	2.2
179.03532	1.5
221.15396	0.8
231.13945	1.0
245.15405	3.6
261.18506	0.7
263.16498	1.3
264.71039	0.4
275.00891	0.5
275.13107	0.6
285.18784	0.5
303.19641	1.3
329.17697	1.2
347.18649	100.0
348.18973	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	347.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55662	0.5
57.03437	0.7
59.01387	3.1
69.55706	3.8
76.59835	0.5
77.03941	0.9
79.01891	4.2
81.03466	1.5
83.01381	0.7
84.86764	0.5
93.44673	0.5
103.01900	1.6
105.03495	3.7
107.05025	0.7
109.02942	1.2
111.04531	3.5
121.02982	0.7
121.10218	0.7
123.00792	0.8
123.04515	1.5
124.01675	0.9
125.02452	1.5
135.04535	3.3
136.01654	0.7
137.02475	2.3
138.03239	13.2
139.04018	1.6
151.00377	1.2
151.04002	6.5
151.07649	0.7
153.05588	24.6
154.05977	0.9
159.04546	0.6
161.06097	0.7
163.00337	0.9
163.03993	0.6
164.01160	3.8
164.04741	0.9
165.01926	8.2
166.02724	18.2
167.03343	1.3
175.04088	0.6
177.01944	0.6
177.05598	2.1
179.03506	25.5
180.04240	5.2
181.05020	0.6
189.05515	1.1
191.03506	7.4
193.05098	2.7
195.06677	2.9
205.05054	5.5
206.05605	0.7
207.06682	1.2
221.08261	0.6
259.09814	3.4
274.25146	0.6
275.12921	1.7
287.13110	1.0
287.16431	1.0
303.19745	0.6
303.23361	0.8
315.16141	0.9
347.18646	100.0
348.19012	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	347.1865
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
51.50319	0.5
57.03453	7.5
59.01388	0.8
65.00315	1.5
69.76678	2.1
69.77041	0.5
75.25436	0.4
75.57817	0.5
78.56023	0.4
79.05528	1.1
81.03461	15.8
82.03767	0.5
83.01393	7.0
83.05019	1.4
93.03460	0.7
95.05027	1.4
97.06564	0.5
98.19821	0.5
99.62700	0.5
107.01405	1.3
107.05053	1.1
109.03033	0.5
109.06605	5.8
111.08152	1.0
113.09745	4.2
115.92009	0.5
121.06584	0.8
123.04520	2.1
123.08176	1.1
124.01637	0.6
125.02453	30.0
126.02822	0.9
127.11288	9.2
133.06606	1.7
135.04536	0.6
135.70294	0.6
149.09732	6.5
151.00374	2.2
151.07671	1.2
152.01059	1.0
153.12871	4.2
163.11330	0.5
167.03517	1.4
167.14424	0.8
173.09715	1.0
175.07622	1.9
179.03491	1.7
179.14352	1.0
191.10767	4.4
201.05550	3.2
217.08768	0.7
219.06651	4.7
219.17523	2.0
221.15475	9.2
222.15793	0.7
243.17653	0.7
245.15427	0.6
261.18555	1.1
263.16522	0.8
303.19595	2.2
329.17584	1.7
342.44421	0.5
347.18640	100.0
348.18976	13.2
349.85901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1169
Annotation	Compound VII
Peak:m/z	Relative Intensity
50.85879	0.3
54.52711	0.2
58.14827	0.3
59.01370	0.9
59.24209	0.3
59.64346	0.3
69.25842	3.0
71.01371	0.6
72.99274	0.3
74.99105	0.3
75.43983	0.3
76.36014	0.3
78.84872	0.3
79.95746	2.0
82.90988	0.3
87.00912	0.4
96.96015	100.0
97.95941	0.5
115.07649	0.4
120.99619	1.4
122.97581	0.9
127.04019	0.3
137.09714	0.7
155.10727	0.5
217.40057	0.3
259.10107	0.8
259.13803	0.8
347.11676	54.1
348.11987	6.4
348.16165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90190	1.1
56.98018	2.1
57.03434	1.5
60.97534	1.3
72.99311	2.8
73.98319	2.4
74.99102	99.4
76.30453	1.5
78.90922	1.2
87.00885	3.4
96.95985	1.7
98.20703	2.8
110.01966	8.4
118.98077	1.6
120.99650	3.5
128.03012	5.8
129.95134	1.4
136.99155	100.0
144.44006	1.2
165.95738	1.3
166.26219	1.1
185.11847	12.4
197.10071	2.1
197.36348	1.3
223.08041	1.5
347.08032	2.0
347.11685	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	347.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83591	0.5
50.98730	0.5
54.11889	0.5
55.27905	0.6
57.03441	1.4
68.52525	0.5
69.03444	0.8
69.85434	2.9
79.95752	2.2
83.05031	1.3
95.05045	4.3
96.96017	80.2
97.06576	0.9
98.03738	1.9
98.20588	0.7
100.53312	0.5
109.06605	3.5
111.04526	2.4
113.06086	3.7
116.84225	0.7
117.47504	0.5
117.52127	0.6
123.08215	0.9
124.05318	0.9
137.09720	2.1
139.07655	4.4
139.55240	0.6
151.67770	0.6
153.09261	2.9
155.10785	28.7
156.11090	1.6
171.11844	0.6
186.42218	0.6
187.14871	0.8
199.09711	1.4
203.14389	1.3
205.15976	15.6
206.16382	1.1
223.16945	1.4
262.07938	0.5
267.16031	16.2
268.16449	1.0
329.10568	0.9
347.11697	100.0
348.12064	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	347.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.4
63.01790	0.6
65.00337	2.9
65.36468	0.5
69.64198	3.3
71.04330	0.5
81.03460	7.3
83.01404	7.7
83.04978	0.6
90.37744	0.7
91.18104	0.6
95.05042	6.8
98.20617	0.8
100.55125	0.5
105.03460	1.5
107.01392	1.9
107.24023	0.5
109.06586	1.1
111.04507	1.7
119.05026	0.9
121.06599	7.1
122.03743	1.3
123.04527	13.4
124.01630	1.2
125.02457	41.7
126.02793	1.8
135.04558	0.7
137.02444	0.9
137.06090	11.3
138.03232	2.3
138.06398	0.7
147.04532	8.2
149.02405	0.9
151.00392	4.8
153.05576	7.1
155.14447	8.7
162.06865	0.7
163.07651	5.2
164.04686	0.8
166.02716	1.8
166.28474	0.6
174.80138	0.6
179.03432	0.8
181.15973	1.3
189.05595	1.3
191.03516	3.0
192.04166	1.3
207.06625	2.0
235.16844	0.7
243.17618	0.6
261.18582	2.4
263.16449	1.0
279.19324	0.6
285.18622	0.8
303.19852	3.1
304.19992	0.6
305.17853	1.2
329.17548	1.9
347.18643	100.0
348.14716	0.8
348.18951	12.4
348.22906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97449	1.5
56.98017	2.6
59.01388	7.8
71.01366	2.0
71.59714	2.5
72.99310	2.2
74.99094	5.6
76.62711	1.6
79.95733	3.6
83.78732	1.4
85.02924	2.7
87.71819	1.7
95.01389	3.0
96.96030	4.9
99.00844	1.9
101.02454	2.9
114.98616	1.6
117.05598	2.3
120.99660	100.0
122.00011	1.7
125.02405	1.9
136.99094	6.7
137.02461	3.1
139.04024	3.2
148.03946	1.6
154.25415	1.4
163.04007	1.6
168.78697	1.5
169.01357	1.7
175.97833	2.6
183.01154	1.8
192.04291	2.3
199.04305	3.3
211.07675	5.2
231.03081	2.0
303.00937	1.8
328.98505	2.1
347.00653	3.5
347.04443	1.7
347.12421	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	345.2071
Annotation	Calycanthine
Peak:m/z	Relative Intensity
55.01886	0.6
56.18205	0.5
57.03451	1.2
59.01398	0.6
65.62584	0.6
69.64715	1.6
69.65140	1.8
71.05022	4.7
71.75996	0.6
79.01886	3.0
83.05051	0.9
95.05032	19.2
97.02945	3.6
98.19924	1.2
109.02957	0.5
121.02943	1.4
122.03721	2.2
137.06088	3.8
138.03267	0.7
139.04018	15.3
165.01996	3.6
166.02675	1.2
176.04770	0.6
177.73950	0.5
179.03506	0.9
180.04214	1.1
181.05168	1.2
193.04996	1.2
205.15916	2.6
212.67313	0.6
247.17133	1.0
259.20621	1.1
301.21735	14.1
302.21936	1.6
327.13602	0.6
327.19669	0.9
345.20694	100.0
346.21051	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	345.2435
Annotation	Volemolide
Peak:m/z	Relative Intensity
57.03439	1.9
59.01360	0.9
59.38446	0.5
65.00311	0.6
68.99829	0.6
69.03456	0.5
69.64296	3.6
71.78659	0.5
81.44362	0.6
83.05024	1.5
83.49305	0.5
84.34189	0.6
85.02948	2.7
86.93080	0.6
93.03458	1.0
95.01370	0.9
95.05022	0.9
97.06602	1.6
98.28419	0.5
100.88556	0.5
111.08154	2.0
124.01678	0.9
125.09708	0.8
129.31097	0.5
139.04013	0.8
149.88556	0.6
152.01147	0.8
161.09601	0.6
166.02740	0.6
179.03470	3.6
194.36415	0.6
261.22183	4.4
262.22598	0.8
263.02692	0.6
277.84903	0.5
283.24341	1.4
301.25372	59.2
302.25687	9.1
303.23322	19.7
303.25928	0.4
304.23618	1.8
345.20621	13.3
345.24347	100.0
346.21057	1.6
346.24704	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06718	0.2
55.55742	0.2
59.01381	5.1
60.01717	0.6
61.98832	100.0
70.03194	0.5
70.03613	0.3
96.11956	0.2
98.19872	0.2
158.03767	0.2
159.03329	0.2
161.01242	0.2
178.59802	0.2
201.02544	0.8
202.02725	2.4
203.02289	2.4
203.99994	44.7
205.00145	3.9
346.01050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.8
61.86900	2.2
64.22852	2.2
65.00315	4.5
69.37757	21.2
71.01370	5.2
72.60155	2.1
73.02930	2.3
74.99129	3.1
79.95741	3.3
81.03448	12.0
85.02956	5.4
89.00317	2.8
89.02441	4.0
93.03459	18.4
96.95986	12.1
97.02940	4.8
109.02954	37.3
117.05572	7.4
120.99657	6.8
121.02964	4.5
124.01667	41.6
125.02458	7.1
130.04228	3.3
131.05052	4.0
134.03700	2.3
135.00888	4.9
137.02446	100.0
137.03500	6.0
138.02704	3.0
138.68069	2.0
139.00403	3.0
139.04015	52.8
143.04987	4.8
147.04489	5.8
151.00378	6.7
151.50415	2.2
156.05792	3.4
159.04526	13.0
161.02411	6.3
163.00343	5.8
165.01921	12.3
169.01352	3.2
171.04489	13.2
172.05286	8.0
174.03214	7.7
175.04024	5.5
177.01878	2.6
178.02664	5.9
178.99849	5.6
183.04529	7.1
187.03987	6.5
188.04680	3.7
190.02686	3.2
193.01427	15.1
198.03220	6.3
199.04050	15.3
200.04794	37.7
201.05370	3.3
203.03490	10.9
204.04099	2.8
206.48734	2.3
215.03635	20.6
215.07106	45.9
216.04228	14.1
216.07367	4.6
225.11452	3.2
227.03423	13.6
231.06528	9.7
235.06104	3.8
241.05031	2.7
243.03032	7.5
244.03786	26.3
257.04626	2.7
259.06134	31.6
261.04004	10.7
265.55551	2.7
267.02960	3.2
271.02469	15.5
272.99384	3.1
275.05548	2.6
303.00348	8.8
303.05084	13.9
306.80707	2.8
328.98389	13.1
346.99704	3.2
347.07690	20.6
347.11615	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	345.1708
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
50.29788	0.6
55.01873	0.5
57.03448	3.2
59.01375	1.2
63.99436	0.5
65.00315	0.9
69.03458	2.6
69.45461	2.4
69.45895	2.2
71.05031	8.3
79.01903	2.7
81.03455	1.7
83.01390	1.3
83.05038	1.5
85.02934	0.7
93.03457	1.5
95.05033	16.3
97.02968	4.4
97.06606	2.2
106.04237	0.6
107.05030	0.8
109.06622	0.7
111.08163	1.0
121.02966	1.1
121.06618	1.0
121.25996	0.5
123.04524	2.1
124.01693	0.6
124.33627	0.6
125.02435	3.2
135.04607	1.0
136.05360	0.7
138.03209	0.7
139.04027	47.3
140.04337	2.2
149.06068	1.3
151.00357	0.7
153.05557	0.7
165.01918	2.2
166.02725	0.9
167.03531	1.4
172.01817	0.5
177.12903	0.6
179.03481	1.4
180.04282	1.0
181.21454	0.6
193.05048	0.8
203.10800	0.7
203.14407	1.0
205.12379	0.7
217.15990	0.7
219.13882	0.8
245.15518	1.7
259.17111	2.9
273.18628	2.4
283.16922	0.6
300.99857	1.0
301.18121	3.8
317.17899	0.7
326.97849	1.1
345.17065	100.0
345.20508	5.3
346.17419	12.3
347.36600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1705
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
51.40131	0.4
57.03448	2.1
59.01384	0.5
59.34507	0.3
65.00326	1.3
66.06017	0.3
68.99799	0.4
69.03458	1.6
75.70776	0.4
81.03468	7.7
83.01388	2.4
83.05026	0.7
85.06602	0.5
89.68610	0.4
93.03489	0.4
93.07178	0.4
95.01398	5.2
95.05033	1.6
98.19816	0.5
101.38506	0.4
107.01395	1.4
107.05023	0.7
109.02946	0.7
109.06596	0.8
111.00911	0.7
111.04521	0.9
111.05881	0.3
111.72107	0.4
117.63727	0.4
122.03748	0.9
123.00890	2.1
123.04531	4.9
124.01681	4.2
125.02457	12.4
134.21886	0.4
135.04510	0.7
137.02432	1.1
139.00479	0.4
139.04039	1.1
147.08136	0.6
149.06059	0.9
149.09747	1.3
151.00377	7.2
152.01173	6.1
153.05595	2.0
162.03221	0.4
165.01938	0.5
166.02724	10.4
166.04172	0.5
167.03421	1.7
179.02069	0.5
179.03537	7.2
180.04257	2.4
181.04884	0.5
189.09216	0.9
189.12857	0.8
191.10812	0.8
193.05092	3.2
195.06628	0.6
198.01717	0.7
212.03278	1.2
231.13885	2.7
233.08185	7.8
234.08449	0.6
236.05341	0.4
257.11365	0.4
259.09784	0.7
261.18472	0.4
268.37552	0.4
273.11365	0.8
273.23059	0.4
274.12173	1.7
275.12875	2.9
300.99792	1.1
301.18076	1.1
301.21249	0.4
326.54745	0.4
326.98047	0.5
327.15582	1.2
345.17078	100.0
345.20459	4.4
346.17395	13.9
346.21552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	14.4
59.01388	3.2
68.87341	0.4
69.03432	0.8
71.05024	0.9
79.01932	0.5
80.02699	0.6
81.03460	4.3
83.01399	9.5
83.05056	0.6
85.02963	70.6
86.03292	1.7
95.01407	0.5
95.05017	0.7
97.02998	0.6
99.04520	0.6
107.01390	0.8
109.02975	1.4
111.00904	0.6
113.02481	1.1
123.04539	11.4
125.02462	100.0
126.02816	4.1
127.04027	1.3
133.67404	0.5
149.02444	0.7
151.00391	1.4
151.04033	1.5
152.04944	0.6
167.03514	21.1
168.03867	0.9
168.06845	0.5
169.05212	0.6
175.04074	0.6
177.02026	0.6
205.46745	0.6
217.12494	0.7
219.13940	5.0
289.14560	0.6
303.16220	1.0
303.23318	1.1
318.85806	0.6
327.16101	3.2
345.10858	0.6
345.17078	18.5
345.20746	16.0
345.24445	20.2
346.17392	2.2
346.21072	2.6
346.24780	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	345.2071
Annotation	Calycanthine
Peak:m/z	Relative Intensity
50.60165	0.6
51.03012	0.5
52.32251	0.6
54.47075	0.5
56.86796	0.5
63.89314	0.6
65.00336	2.4
66.25507	0.6
69.03450	1.2
81.03441	0.6
83.01376	0.7
87.40817	0.6
93.03472	0.8
94.66599	0.6
95.01386	4.3
97.02956	1.2
98.19840	1.5
105.77848	0.6
111.04527	1.9
123.00903	1.8
124.01671	10.9
125.02518	1.3
135.04521	3.5
137.02473	3.5
138.03262	1.6
139.04027	9.6
151.00352	6.0
151.04034	1.2
152.01151	8.5
164.01198	1.1
165.01949	4.9
166.02731	7.5
179.03517	35.0
180.04048	2.3
187.83937	0.6
193.05020	1.3
225.82391	0.7
229.12245	0.6
233.08096	1.0
273.11331	6.0
287.12894	0.9
300.73511	0.7
345.20718	100.0
346.21045	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	345.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.7
59.01388	1.2
61.18084	0.5
64.08424	0.5
65.00327	1.7
66.36806	0.6
70.52928	1.6
71.05025	23.1
72.05386	0.5
81.03461	18.9
82.03815	0.8
83.01400	2.9
83.05061	1.5
85.06564	0.8
95.01384	1.2
95.05031	1.5
97.02945	0.7
97.06597	2.3
103.61522	0.6
107.01398	0.7
109.06581	0.7
111.08160	1.1
121.06628	0.9
122.03748	0.9
123.04523	5.1
123.08176	1.1
124.01640	1.2
125.02451	18.4
135.04515	0.8
135.08153	1.2
147.08246	0.8
151.00369	2.6
152.01108	0.8
162.03291	0.6
166.02769	1.0
167.03465	1.8
173.09674	0.7
174.79643	0.6
179.03479	1.8
180.85698	0.6
189.09058	0.8
203.14485	0.7
217.12352	0.7
229.12349	0.7
261.15063	1.3
295.58633	0.6
301.18167	5.4
327.16006	1.0
345.17068	100.0
346.17410	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	345.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.2
59.01372	1.0
59.86915	0.3
65.00323	2.0
67.01894	0.5
69.03456	1.6
69.51874	0.9
69.52284	2.2
79.01923	0.4
81.03466	18.1
82.03814	0.5
83.01383	3.1
83.05042	2.1
87.42386	0.3
88.35695	0.4
93.03484	0.5
94.86550	0.5
95.01405	1.4
95.05019	3.0
98.20586	0.7
107.01382	1.2
107.05017	0.4
109.06560	1.1
111.08174	12.0
112.08461	0.7
112.56577	0.4
121.06591	0.8
123.04558	6.0
123.08167	4.9
124.01679	1.5
125.02458	26.4
126.02812	0.5
135.04529	1.2
135.08159	1.9
136.05289	0.5
137.06099	1.3
141.77086	0.4
144.67322	0.4
147.08177	0.6
151.00381	2.9
151.11287	4.3
152.01152	1.6
153.05583	1.4
155.26785	0.4
162.02058	0.4
162.03244	1.4
163.11292	1.5
165.09183	0.5
166.02728	1.5
167.03526	2.5
175.07664	0.5
177.09195	0.6
179.03551	3.0
179.66264	0.4
180.04292	0.9
187.11189	0.4
189.09186	0.6
191.10693	0.4
195.06639	0.9
205.12228	0.7
217.12247	0.4
219.13875	1.0
221.08124	1.0
233.34253	0.4
241.15952	0.7
259.17047	0.5
261.14944	1.1
301.18051	3.9
302.18463	0.6
304.31851	0.4
330.03955	0.3
345.17081	100.0
345.87689	0.4
346.13336	0.8
346.17410	12.0
362.73715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0831
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01889	0.9
59.01388	1.4
61.98832	1.2
64.87481	0.3
65.00343	0.3
65.59132	0.3
66.54254	0.3
69.03481	0.3
69.73515	0.3
69.77602	0.3
71.01385	1.3
71.05025	6.4
71.08068	0.5
78.95910	1.1
83.01398	1.2
85.02998	0.3
89.02470	0.5
91.69076	0.3
93.03432	0.7
95.01411	0.5
95.05034	4.2
96.96938	0.4
97.02962	21.0
98.03326	0.5
101.02404	0.5
109.02930	0.3
111.00885	0.6
113.02496	0.4
119.05043	0.6
120.05332	0.4
121.02968	1.4
125.02432	0.6
135.04631	0.3
137.02472	1.7
139.00410	1.4
139.04025	100.0
140.04358	4.2
151.00410	0.4
163.04045	1.5
165.01947	12.0
166.02321	0.5
166.05125	0.6
168.00729	0.4
169.01532	0.4
181.05080	0.5
182.99397	0.7
183.02995	6.4
204.00011	0.3
210.99988	0.5
213.05141	0.4
226.84036	0.3
345.08286	30.7
346.08575	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	345.0828
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	0.8
59.01384	3.6
67.01902	0.8
67.03002	0.3
68.99783	0.4
69.03452	0.6
70.83461	0.8
71.01391	4.6
72.97530	0.5
72.99316	0.6
73.02948	2.4
79.01903	1.2
83.01402	2.1
85.02966	2.7
87.00896	0.5
88.16151	0.4
95.01400	2.6
97.02964	1.0
99.00864	0.7
101.02448	6.3
107.01404	3.3
110.00098	0.5
111.00885	3.4
111.02032	0.7
113.02459	1.5
120.99629	0.5
122.41862	0.4
123.00888	14.9
124.01739	2.1
125.02448	14.5
126.02832	0.3
127.00366	0.9
136.28044	0.3
136.98790	1.9
137.02391	0.6
139.00383	6.2
139.04037	2.4
140.01178	3.7
141.01938	2.1
151.00380	12.1
153.02010	0.5
154.75404	0.4
165.01816	0.4
168.00653	5.6
169.01425	15.1
170.01810	0.4
179.03424	0.4
181.05064	0.6
183.03030	2.2
193.07143	1.3
270.98892	1.0
298.98615	0.5
300.99951	3.4
313.05609	1.0
326.97763	2.9
344.99738	2.3
345.08258	100.0
346.08621	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	345.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26246	0.5
50.83960	0.5
59.01338	2.4
68.01417	5.2
69.73788	3.6
71.01352	2.1
71.05028	3.0
72.99283	0.6
78.35117	0.6
80.05013	1.0
82.02960	1.6
83.01398	0.7
86.98927	0.5
87.00812	0.6
95.01384	0.8
95.02534	3.5
97.02948	4.3
100.04021	0.8
101.02404	0.9
110.02499	2.9
111.02011	55.6
112.02340	1.0
117.05565	1.2
123.00900	3.7
123.04491	1.8
124.01633	2.4
124.04017	1.7
125.02470	3.0
137.02422	0.8
138.03178	1.6
139.00368	1.9
139.04019	38.5
140.00935	0.6
140.04332	1.4
147.06505	0.6
151.00415	1.1
151.03929	1.2
151.05139	18.1
152.05440	0.7
163.04037	1.3
165.01932	0.7
166.99869	2.3
168.00624	2.3
169.01436	3.5
169.06190	0.7
174.93478	0.5
179.03442	0.7
181.04947	0.6
182.02228	1.7
182.99394	0.6
183.02963	3.9
185.32608	0.5
195.04124	2.7
200.05792	0.6
209.08243	1.0
211.02530	1.4
212.01474	0.7
213.05173	100.0
214.05505	3.6
223.02425	0.8
227.03796	1.5
241.03453	3.7
243.06299	2.5
300.99973	1.1
313.05655	2.8
326.97925	1.4
344.99075	0.8
345.09232	27.6
346.05103	0.8
346.09521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59362	0.3
56.46074	0.3
57.03461	2.2
59.01380	0.7
62.43782	0.3
65.00335	1.5
67.03885	0.4
69.03460	0.9
70.76738	0.9
76.01248	0.3
81.03470	6.9
82.03813	0.4
83.01392	1.9
83.05021	0.8
93.08371	0.3
95.01388	5.8
95.05035	0.7
107.01424	1.4
107.05026	0.9
109.06618	0.6
111.00909	1.5
111.04536	0.6
122.03734	0.7
123.00904	2.2
123.04532	4.8
123.08253	0.3
124.01666	4.8
125.02460	11.7
126.02822	0.5
134.27715	0.3
135.04536	1.6
137.02458	0.6
137.06082	0.7
138.03238	0.3
138.22073	0.3
139.00398	0.7
139.03999	1.1
147.08159	0.7
149.06091	1.0
149.09731	1.2
151.00381	8.5
152.01175	5.0
153.05612	2.1
162.03325	0.4
165.01901	0.8
166.02722	9.7
167.03526	2.2
175.07719	0.3
179.03523	6.8
180.04239	2.0
181.01405	0.4
181.05109	0.6
189.09207	0.9
189.12877	0.8
191.10829	0.7
193.05022	2.8
198.01740	0.6
207.06543	0.3
212.03206	0.7
219.06593	0.5
223.12160	0.4
231.13931	2.9
233.08202	6.5
234.08559	1.0
257.11871	0.5
273.11404	0.8
274.12112	1.5
275.12930	2.9
300.99902	1.1
301.18149	0.9
313.14682	0.5
318.73886	0.4
318.85641	0.3
326.97717	0.8
327.15680	1.3
345.17078	100.0
345.20447	4.2
346.17419	13.1
346.21509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.9889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	1.4
59.05099	0.6
76.96698	0.6
89.02377	0.8
101.02385	0.7
117.03423	1.1
118.98024	0.7
129.03461	1.3
131.01410	1.0
133.02902	1.0
139.03937	2.2
143.01366	1.7
145.02968	4.4
147.00812	1.0
147.04445	1.1
155.01343	0.7
157.02942	2.0
159.00842	1.2
161.02379	1.3
163.03984	2.0
171.00888	8.3
172.01335	1.2
173.02394	4.8
175.00342	0.7
183.00838	0.7
185.02441	7.0
187.00310	2.5
189.01868	1.7
196.66136	0.7
199.00391	5.0
200.01167	1.0
201.01955	4.4
211.00226	0.9
214.99857	7.7
216.00446	0.7
217.01353	1.2
222.10127	0.6
226.99870	8.6
228.00410	1.6
229.01408	6.3
230.01857	0.8
238.99571	0.7
242.99329	15.4
243.99893	1.8
245.00897	4.1
254.99290	5.6
257.01001	3.6
257.12100	1.2
258.01718	0.7
270.98840	29.6
271.99274	2.8
273.00424	0.6
282.98871	2.1
283.99631	7.7
298.98343	13.5
299.99063	7.4
300.99896	100.0
302.00250	7.5
323.04294	0.7
326.97821	81.5
327.98120	7.7
344.98889	45.2
345.99268	3.6
352.08878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0616
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
57.87253	0.4
63.02365	1.0
65.00309	0.7
70.36015	1.1
70.36408	1.0
70.78619	0.4
83.01362	0.5
83.87514	0.4
91.62651	0.4
96.95988	1.1
98.19978	0.4
106.81687	0.4
107.01355	1.4
110.39695	0.4
113.99619	0.5
134.07242	0.4
147.04480	0.5
151.00369	3.3
159.04497	0.9
161.02448	0.5
163.00400	0.8
164.01031	0.6
171.04529	0.7
187.03966	1.6
189.01942	0.5
199.04097	0.6
203.03508	13.5
204.03792	1.1
213.01907	0.6
215.03513	3.6
216.03973	0.5
217.01416	0.7
231.02982	4.7
243.02989	2.5
259.02484	20.9
260.02795	2.3
271.02463	2.6
285.03928	0.5
287.01981	33.2
288.02258	3.0
299.01907	1.0
300.99905	1.2
301.03391	1.0
315.01471	72.0
316.01813	6.5
326.97885	0.8
329.03085	2.3
330.03799	35.0
331.04135	3.4
345.06155	100.0
345.13266	2.5
346.06506	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	343.2278
Annotation	7-deacetoxyyanuthone
Peak:m/z	Relative Intensity
57.03445	2.5
69.66705	2.7
69.67130	2.6
79.21064	0.8
79.95947	0.8
83.05043	1.5
93.03459	1.1
95.01394	2.1
97.06596	1.2
111.08127	2.0
123.00905	1.3
124.01678	5.0
124.38360	0.8
125.09777	0.9
134.18550	0.8
135.04575	1.5
137.02455	1.3
139.03998	3.3
152.01160	3.6
153.31543	0.8
157.10701	0.8
165.01918	3.5
165.12874	1.6
166.02710	3.4
167.98558	0.7
179.03519	12.3
180.03958	1.0
189.16405	0.9
205.15939	0.9
259.20609	1.8
281.22705	1.3
299.12704	1.2
299.23807	44.9
300.24066	7.2
301.21725	12.0
302.21976	1.7
343.19043	25.7
343.22757	100.0
344.19388	2.9
344.23126	18.5
367.25479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
54.11396	0.8
57.03446	1.7
63.70489	0.9
69.72303	4.7
71.05033	6.6
72.29704	0.9
77.96362	0.9
79.01902	3.1
81.03459	0.8
83.05035	1.1
93.03470	1.4
95.05032	18.9
97.02975	3.9
109.02947	0.8
109.06656	0.9
121.02933	1.8
122.03759	2.2
137.05225	0.7
137.06148	6.5
139.04025	16.3
140.04443	1.0
147.88757	0.8
165.01927	3.7
166.02727	2.0
179.03539	1.0
181.05052	1.4
193.05060	2.8
194.05820	0.9
203.14447	1.2
245.15504	1.3
266.21552	0.8
299.20169	13.1
300.20547	1.5
343.19162	100.0
344.19501	14.7
344.23373	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	343.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.18262	0.5
59.08560	0.6
66.89748	0.5
69.72022	2.3
69.72441	0.9
71.05039	4.0
76.51817	0.6
79.01908	3.0
80.88187	0.5
83.05048	1.1
86.42783	0.5
91.55260	0.5
92.81255	0.5
93.03476	1.0
95.05038	16.6
97.02972	2.6
101.07346	0.5
109.02994	0.9
109.06614	0.8
115.69507	0.6
121.02967	2.0
122.03748	1.6
135.04585	0.6
137.06108	4.9
138.03293	0.7
139.04022	14.7
149.06105	0.9
165.01936	2.5
166.02705	1.5
180.04277	0.7
181.05032	1.7
181.49121	0.6
193.05110	1.4
203.14476	1.2
203.62323	0.7
245.15607	1.0
299.20181	10.0
300.20663	1.0
318.08453	0.7
325.18097	0.9
343.19156	100.0
344.19504	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	343.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42635	0.4
65.00324	1.7
69.03467	0.9
69.79629	2.9
83.01398	0.8
91.01920	0.5
93.03480	0.7
95.01388	3.5
96.69446	0.5
97.02951	1.3
98.19968	1.0
107.01416	0.8
111.04521	2.2
119.99326	0.6
121.03001	0.6
123.00888	1.8
123.10177	0.6
124.01672	9.7
125.02515	0.9
131.22739	0.5
135.04510	2.1
137.02449	2.6
138.03220	1.1
139.04018	6.5
140.04395	0.8
151.00386	3.7
151.04019	0.9
152.01137	8.2
164.01154	1.1
165.01950	4.8
166.02692	6.1
179.03510	27.3
180.04074	2.2
181.05084	1.5
193.05078	1.8
233.08105	1.5
299.12872	1.4
311.57684	0.5
313.14548	0.9
343.19153	100.0
344.19479	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	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.80140	0.6
57.03454	5.5
61.21852	0.6
69.03487	0.7
70.72087	1.8
73.25481	0.6
83.05008	1.0
87.38348	0.6
95.05038	1.0
97.05975	0.8
97.06590	13.2
98.06940	0.7
99.69080	0.6
123.08156	7.6
125.09732	100.0
126.10110	4.2
127.11272	1.9
139.11320	1.5
143.10753	1.8
144.61140	0.7
155.10825	1.6
159.10150	0.6
167.97026	0.7
169.08722	1.9
173.11833	40.5
174.12169	2.7
187.09763	17.2
188.10045	1.1
257.85181	0.7
281.21237	6.3
297.20581	1.1
325.14340	1.0
325.20230	8.7
325.23749	0.6
343.15024	2.8
343.15753	2.7
343.21268	96.0
344.21643	11.3
344.25482	0.5
350.09009	0.7
353.51459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60052	0.4
63.02393	0.4
65.00324	1.5
66.61109	0.4
69.03474	0.4
69.79530	1.6
69.79939	0.8
80.03320	0.4
83.01373	1.0
91.01864	0.5
93.03451	0.9
95.01398	3.8
97.02946	1.2
102.53564	0.4
107.01374	1.1
107.05063	0.4
109.02979	0.4
111.04514	1.8
123.00874	1.5
123.04527	0.7
124.00838	0.6
124.01675	8.4
125.02422	1.5
135.04512	1.6
137.02460	2.5
137.17822	0.4
138.03232	1.3
139.00385	0.5
139.04013	7.0
151.00388	3.9
151.03990	1.1
152.01158	8.5
160.33636	0.4
164.01128	0.6
165.01903	5.7
166.02730	8.4
175.81960	0.4
179.03503	26.3
180.04137	1.7
181.05084	0.7
193.05083	1.9
212.03368	0.5
225.07610	0.4
233.08195	1.7
247.09785	0.4
259.09750	1.2
273.11392	1.4
287.12912	0.7
299.12833	2.3
313.14542	1.3
318.93924	0.4
327.16281	0.4
343.19147	100.0
344.19507	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
57.03451	9.4
59.01376	2.2
59.24199	0.6
64.98259	0.6
65.00322	2.2
68.99811	0.8
69.03466	3.8
69.97047	2.7
79.21142	0.5
81.03465	18.0
83.01375	4.4
83.05029	3.8
85.02956	0.8
93.03465	1.0
95.01386	3.2
95.05022	3.1
97.06615	1.1
105.07173	0.6
107.01395	1.6
107.05036	1.1
109.06588	2.2
111.04502	0.8
119.05040	1.0
121.06614	1.1
122.03694	0.8
123.00922	1.2
123.04514	2.4
123.08191	0.8
124.01681	2.5
125.02457	71.5
126.02798	2.0
133.06584	1.0
135.04526	1.8
137.02435	0.9
139.00424	0.8
147.08104	0.8
149.06007	0.7
149.09689	0.9
151.00351	4.4
152.01208	3.0
153.05646	1.4
161.09747	0.9
162.74086	0.6
166.02699	4.5
167.03461	1.2
177.12975	0.6
179.03493	5.3
193.05074	0.8
208.75835	0.7
215.10904	0.7
215.14319	1.4
217.12234	0.9
224.13963	0.6
229.16177	0.7
233.15428	0.9
255.13931	1.0
257.15475	1.6
259.13495	1.4
269.15607	0.7
271.17035	1.7
288.49323	0.6
299.12900	1.9
299.16528	2.6
299.20197	2.1
315.16058	1.8
325.14474	1.1
343.15518	100.0
343.19199	14.2
344.15842	13.8
344.19238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15348	0.4
57.03450	11.4
58.03779	0.4
59.01373	2.1
65.00327	0.6
69.03445	0.5
69.41944	1.4
69.42356	1.4
70.74197	0.4
81.03458	3.5
83.01390	9.0
85.02957	7.5
88.06136	0.3
89.24948	0.4
95.05010	0.5
97.02955	0.9
99.80872	0.4
107.01447	0.8
109.02927	0.4
111.00887	0.4
121.02925	0.5
123.04530	8.7
125.02452	100.0
126.02782	3.3
127.03996	0.4
139.03847	0.4
149.02435	0.8
151.00320	0.8
167.03499	17.9
168.03830	0.8
186.01701	0.4
217.12378	2.8
221.89735	0.4
251.40146	0.4
278.80511	0.3
300.16052	0.4
325.14523	0.4
343.15466	4.0
343.19165	8.0
343.22784	1.6
343.28513	1.4
344.15833	0.7
344.19537	1.3
344.23398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00039	0.2
57.03454	11.4
59.01397	1.4
60.99788	0.3
65.00304	0.4
69.66013	0.7
69.66430	1.1
74.84828	0.3
81.03469	3.6
83.01399	8.3
85.02963	3.5
91.46077	0.3
95.05060	0.7
97.02971	1.0
107.01396	0.4
109.02949	0.8
111.00893	0.2
113.02525	0.4
117.36153	0.2
118.66872	0.2
123.04545	9.1
124.04893	0.7
125.02462	100.0
126.02802	3.5
147.12056	0.3
149.02473	0.6
151.00394	1.0
167.03516	20.1
168.03880	0.9
180.04262	0.3
181.05165	0.3
186.01727	0.6
195.06625	0.3
217.12335	2.4
232.42065	0.3
234.08966	0.3
265.36966	0.3
325.14413	0.4
343.15469	2.8
343.19226	10.9
343.22272	0.5
344.15829	0.5
344.19528	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	343.1551
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
57.03441	1.7
59.01360	1.3
65.00321	1.3
67.01917	0.6
68.99840	0.4
69.03461	1.8
79.05550	1.0
81.03455	2.3
83.01383	0.6
83.05050	1.0
93.03453	1.1
95.01408	1.1
95.05051	1.0
97.06590	0.4
105.03469	1.0
105.07159	0.4
107.05028	1.8
109.06599	3.0
111.04602	0.5
117.07184	0.4
119.05006	0.8
119.08643	0.8
121.03078	0.4
121.06606	3.0
122.03741	0.6
123.00904	0.5
123.04509	1.6
123.08161	3.2
124.01650	1.9
125.02428	2.0
125.09731	0.6
129.07138	0.6
131.05035	0.4
133.06606	1.0
135.04536	2.2
135.08115	0.6
136.01646	0.6
136.05292	1.5
137.02414	1.2
137.06094	1.6
145.06607	1.0
146.06894	0.4
147.08179	2.7
149.02455	4.0
149.06046	0.7
149.09682	0.8
151.00369	0.4
151.04001	1.5
151.07651	1.8
152.01198	0.9
159.08182	0.9
161.06145	0.5
161.09682	2.3
162.03128	0.5
163.03986	1.0
163.07658	0.8
165.01894	0.4
165.09192	1.1
166.02798	0.4
168.04393	0.5
171.08032	0.5
171.13904	1.0
173.06044	0.5
175.03992	0.5
175.07637	0.8
177.01930	0.9
177.05545	1.0
177.09204	0.5
179.03532	3.1
180.04285	4.5
181.05011	1.4
187.07671	0.6
187.11269	0.5
189.05531	0.7
189.09232	1.5
190.02660	0.5
191.03456	1.1
191.07066	0.5
193.05025	0.7
193.12305	0.8
201.05626	0.4
205.05112	0.5
205.08727	1.5
215.07033	0.4
217.05045	0.9
219.06728	2.1
225.14949	0.5
231.06541	0.4
231.10291	0.6
233.08220	1.3
243.10207	0.8
245.08145	0.4
247.09740	0.5
255.13805	0.5
257.15533	0.8
259.09772	0.7
273.11398	0.9
281.11963	0.6
281.15460	1.1
285.11298	0.6
286.12085	0.9
287.12860	0.8
299.12869	2.1
299.16525	4.7
300.13449	0.4
300.16956	0.8
307.13303	0.4
315.16077	0.6
325.14514	2.6
343.15515	100.0
344.12744	0.7
344.15875	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	343.1038
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01886	0.4
57.03451	0.6
59.01389	2.1
71.01378	0.6
71.61030	0.4
74.94090	0.3
75.63805	0.2
79.05565	0.3
81.03477	0.6
85.02956	0.5
94.54945	0.3
96.96017	1.6
107.05055	0.4
119.05091	0.3
120.99656	0.5
121.02952	0.4
123.04533	2.0
125.02465	0.7
135.04547	4.6
136.04884	0.3
136.35646	0.3
137.06071	0.4
138.03279	1.2
138.60777	0.3
149.06113	0.5
151.02809	0.5
151.04025	4.7
152.04819	7.8
153.05602	4.6
162.83038	0.3
166.02705	1.7
167.06174	1.1
169.01498	0.5
179.03516	16.2
180.04309	16.3
181.05087	100.0
182.05437	4.8
190.02808	0.4
211.05177	0.8
226.54555	0.3
233.91856	0.3
246.01732	0.4
255.04221	0.4
269.08072	0.3
296.33002	0.3
299.02097	1.0
299.09421	0.3
299.99155	1.8
300.99847	1.0
302.51154	0.3
343.10397	40.3
343.21173	1.5
343.99503	0.3
344.10672	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	343.1399
Annotation	Taxuside
Peak:m/z	Relative Intensity
51.46900	1.3
55.01871	5.4
57.03454	2.9
58.00579	2.3
59.01388	32.9
60.98979	1.2
71.01387	35.1
71.59780	1.2
72.99299	3.3
73.02959	14.4
83.01402	10.3
85.02956	18.0
85.17539	1.2
86.00098	2.1
87.00881	2.9
88.81055	1.4
89.02448	5.9
95.01402	2.9
96.96001	3.9
97.02930	1.3
99.00899	5.6
101.02454	36.0
109.02956	12.8
111.00866	1.6
113.02463	11.8
120.99670	14.8
121.02956	5.3
121.06567	1.5
122.03752	11.8
123.00876	3.6
124.01707	2.8
125.02456	2.3
135.00925	2.4
135.04509	4.5
135.98438	1.4
136.05298	39.4
137.02502	2.4
137.06003	5.5
139.04012	2.8
141.18216	1.6
149.06073	1.9
152.01125	2.1
153.01936	17.1
159.02988	1.4
161.04507	4.7
166.06364	40.9
167.06952	4.4
180.04289	57.6
181.05174	12.1
181.08714	100.0
182.09000	5.4
243.93542	1.3
271.02524	4.9
297.28561	1.6
315.01605	1.2
315.12732	1.3
343.10223	68.5
343.14008	74.2
344.10547	6.5
344.14322	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.03482	1.7
69.39980	10.7
71.01382	5.0
72.99300	5.5
80.98135	1.4
87.58449	1.2
89.02422	6.1
96.96016	3.6
99.02762	6.2
101.02457	2.1
103.78856	1.2
107.59721	1.2
110.02489	2.4
113.02428	2.0
117.97340	1.3
119.03539	2.5
119.91683	1.3
120.98854	2.2
120.99672	31.3
121.00539	1.7
125.02470	1.5
135.98317	2.4
167.07663	1.4
167.09016	18.3
168.09279	1.4
169.01366	2.3
193.06526	1.8
207.07999	1.2
209.06128	1.5
211.07967	14.7
212.08231	1.5
216.60361	1.0
219.08055	1.3
225.09155	3.0
235.07632	2.6
237.09084	5.8
240.67694	1.2
253.08658	5.9
255.06929	10.0
281.08298	2.8
297.07788	2.5
299.09146	2.3
300.40732	1.4
315.08807	13.9
327.69165	1.2
343.01535	1.3
343.08325	20.6
344.08649	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	343.0459
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
59.01360	0.8
61.38087	0.4
61.98811	0.7
65.93868	0.3
76.94226	0.4
80.28852	0.3
96.96030	0.5
130.00586	1.0
150.86107	0.4
171.10268	0.4
183.46655	0.4
185.99501	0.4
192.97891	0.4
197.99579	1.8
199.06013	0.4
209.11847	3.8
211.20288	0.4
213.01933	0.5
213.99083	1.0
226.99806	0.5
241.98592	1.7
254.99409	2.6
257.00845	3.6
269.00842	0.5
269.98062	38.6
270.98401	3.2
282.98898	0.7
284.97223	0.9
285.00406	17.4
286.00711	1.2
297.00436	0.9
297.97549	69.1
298.97928	5.5
299.01511	0.7
312.99905	100.0
314.00272	10.4
327.01514	0.9
328.02240	96.2
329.02588	8.8
329.06198	0.7
343.04599	62.7
343.21243	3.3
344.04898	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	343.0669
Annotation	Theogallin
Peak:m/z	Relative Intensity
56.23113	0.5
57.03440	0.9
59.01379	5.4
67.01884	2.2
67.18068	0.6
69.03451	2.1
71.01398	4.5
71.17117	1.3
72.99297	1.1
75.00874	1.2
83.01429	0.8
85.02955	5.5
87.00868	1.0
89.02440	1.8
93.03459	11.8
97.02966	1.0
99.04537	0.8
101.02451	1.7
107.01387	7.8
109.02978	1.2
111.00900	1.7
111.04523	3.1
112.58783	0.6
113.02435	2.4
119.03534	0.8
119.05016	1.9
121.02938	1.4
123.00881	3.5
125.02452	46.2
126.02736	1.0
127.04030	1.1
133.09589	0.5
135.04488	0.6
136.04112	0.5
137.02432	3.6
138.03210	0.7
139.00339	1.0
151.00392	0.6
155.03491	2.4
163.04013	0.9
169.01431	100.0
170.01749	4.1
173.04544	22.7
181.04926	1.2
191.01990	1.0
191.05615	17.8
191.07344	0.9
199.88603	0.6
216.92384	0.6
237.06105	0.8
343.01089	1.3
343.06796	23.7
343.10788	2.6
344.07062	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.32372	0.3
59.01381	13.4
61.69104	0.3
70.18623	1.1
72.99300	0.3
79.95721	0.7
81.03441	0.3
93.03453	0.6
95.05027	0.8
96.96015	1.2
107.05032	0.5
108.02188	0.3
109.02962	6.4
109.06593	3.4
119.05025	3.9
121.02962	6.0
122.03745	0.9
125.02428	0.9
135.04535	4.3
137.02464	0.6
137.06091	31.4
138.06425	1.3
142.20186	0.3
159.04485	1.1
166.02757	0.8
175.07642	3.1
175.97815	0.8
180.03983	0.4
181.05074	100.0
182.05394	5.9
186.75212	0.3
192.04205	0.3
219.06587	1.1
343.01239	1.9
343.04816	0.9
343.10358	11.3
344.10654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1038
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01880	1.2
57.03450	1.9
59.01387	8.6
71.01388	8.3
71.60924	0.7
73.02953	3.8
83.01402	2.1
85.02958	6.1
87.00867	0.8
89.02462	1.9
95.01405	1.7
96.96033	1.8
99.00893	1.3
101.02443	8.3
101.87511	0.6
107.01382	1.2
108.02239	1.0
109.02970	14.0
110.03316	0.8
111.00925	0.9
113.02505	3.6
119.05064	0.9
120.99669	21.9
121.02981	0.8
122.03761	12.0
123.00914	4.2
123.04584	1.6
124.01665	3.4
125.02467	1.3
134.47479	0.7
135.00897	0.8
135.04535	2.0
135.98381	1.8
136.05312	46.7
137.02448	1.6
137.06171	5.6
138.03200	1.4
139.00339	0.9
139.04018	0.8
149.06071	1.4
151.04066	0.9
152.01186	2.3
153.01950	21.9
153.58937	0.8
154.02296	1.3
163.04077	1.4
166.06352	3.5
179.07161	2.4
180.04295	67.2
181.05099	16.8
181.08716	58.9
182.05249	0.8
182.09009	3.2
191.07207	1.3
193.05077	1.1
211.96588	0.7
225.04103	0.8
253.07097	1.0
263.00269	0.8
343.10382	100.0
343.13916	6.8
344.10669	9.7
344.14108	0.8
347.35611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2485
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
57.22169	0.5
59.01373	0.5
69.62087	2.7
75.17723	0.3
79.30613	0.4
81.03466	3.4
83.05038	0.5
91.05530	0.6
95.17733	0.4
98.20599	0.8
100.23419	0.4
108.02169	0.7
122.03751	7.6
123.04569	2.0
124.01644	0.5
125.02451	0.5
128.47194	0.4
131.83762	0.4
135.04535	13.4
137.02457	1.0
149.06079	5.0
161.06125	0.5
163.07678	0.8
177.09166	0.8
179.03485	0.7
185.00819	1.4
191.10768	1.2
205.12337	0.6
299.23834	1.5
300.24210	0.4
339.23282	1.6
341.24838	100.0
342.21054	0.9
342.25201	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	342.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38540	4.7
59.01376	10.4
61.98834	100.0
65.00330	4.9
68.29016	4.7
71.61193	7.2
72.86795	5.6
83.05032	5.6
85.02959	20.7
125.02462	7.1
140.54437	5.3
154.88887	5.2
158.90201	5.1
162.29462	5.3
179.92940	5.5
212.23026	5.8
226.35272	5.3
279.15973	29.7
301.21854	6.7
342.17947	40.7
343.11508	6.7
343.15402	24.5
343.18866	29.0
343.22672	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	343.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14771	0.2
55.91948	0.2
58.00597	0.3
59.01377	2.7
63.96238	0.5
71.01379	2.1
72.99291	0.2
85.02949	0.5
89.02453	1.7
96.96014	1.7
101.02438	0.8
110.38514	0.2
113.02427	0.5
115.05518	0.5
119.03467	0.4
120.99645	0.9
123.08227	0.2
125.02427	0.3
131.05008	0.2
135.98373	0.3
137.02565	0.2
143.05011	1.6
147.04501	0.4
155.04999	0.5
161.06017	1.0
166.05112	0.4
169.01463	0.6
169.02919	0.3
171.04488	2.4
179.05597	0.2
181.02930	0.3
182.04579	1.3
183.04482	0.6
184.01675	0.7
186.42107	0.2
187.03970	0.8
189.05522	0.3
191.05463	0.2
197.02417	0.4
198.03268	0.7
199.04008	4.3
200.01172	0.4
210.03218	0.3
212.01166	0.8
214.02777	0.4
215.03539	1.6
219.02869	0.3
225.01942	1.2
226.02713	1.3
227.03528	5.7
228.00612	0.5
228.03836	0.6
242.02075	0.3
243.02907	2.9
244.03340	0.3
253.01616	0.4
254.02046	0.3
255.02983	0.7
255.10567	0.5
271.02448	0.9
281.00983	0.4
282.01746	1.3
283.99600	3.9
285.00119	0.4
297.00488	0.3
298.01163	2.3
299.01968	100.0
299.99249	0.4
300.02295	9.2
342.96747	0.5
343.00937	7.6
343.07748	1.2
344.01266	0.6
344.09985	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
57.94492	0.6
59.01385	6.8
66.56647	0.7
69.03463	2.6
70.81067	1.3
71.01371	3.3
71.05026	1.0
72.58125	0.7
81.03477	0.8
83.05042	1.5
84.02167	1.7
85.02960	0.7
85.06580	1.0
89.02452	3.2
95.05056	0.7
97.02969	0.9
97.06602	14.4
99.04501	0.8
101.02445	1.9
111.08179	0.7
113.02473	0.7
119.03535	1.5
119.05044	1.0
123.51460	0.6
125.09755	1.9
137.09706	1.2
165.12862	1.1
171.10277	8.0
175.11324	1.3
179.05600	1.3
183.13893	0.8
185.11806	0.7
185.15465	5.0
193.12367	17.5
194.12793	1.0
194.99477	0.8
197.11798	0.9
211.13405	4.2
213.18690	1.0
221.11771	1.5
222.70471	0.7
225.12721	1.2
225.14973	23.3
226.15263	2.1
243.16002	10.3
244.16261	0.9
253.14558	1.1
279.16003	2.5
291.19629	1.4
295.26547	1.1
297.27896	1.5
305.21472	0.8
311.02069	0.7
312.99930	1.5
330.74832	0.8
340.99384	2.0
341.10870	1.8
341.23349	100.0
341.26880	6.3
342.23694	10.0
342.27341	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	341.2123
Annotation	Myrsinoic acid A
Peak:m/z	Relative Intensity
57.03443	3.0
64.47673	1.4
65.00317	4.4
69.03429	1.1
81.03464	1.6
82.79622	1.0
83.05042	2.9
93.03457	2.0
95.01372	3.4
95.05029	2.3
97.02950	1.4
97.06554	1.7
98.20654	2.4
105.07109	1.5
111.04497	2.4
111.08165	2.1
119.05089	1.4
121.06642	1.1
123.08160	1.2
124.01669	12.2
125.02466	2.1
135.04472	3.5
137.02451	6.4
138.03253	2.2
139.04018	15.9
147.11818	2.2
151.00336	4.5
151.04057	2.5
152.01175	7.3
163.04019	1.3
163.11305	1.2
165.01930	22.4
166.02730	9.6
179.03499	37.6
180.04039	2.2
181.05045	6.4
189.13000	1.4
193.05078	3.8
205.16039	1.2
257.19022	1.8
279.21338	1.7
297.18945	2.0
297.22238	32.9
298.22693	2.6
299.20200	8.4
311.53412	1.2
325.14560	1.6
341.17474	80.3
341.21216	100.0
342.17795	10.6
342.21561	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01384	4.5
61.98822	0.8
67.01901	0.8
69.03455	2.3
70.43822	1.0
70.44196	1.0
71.01386	3.1
71.05029	0.8
83.05019	1.9
84.02173	6.4
89.02448	3.2
94.41703	0.5
95.16003	0.5
95.71154	0.5
97.02952	1.9
97.06600	10.6
99.04518	2.0
101.02498	1.1
113.02431	1.0
119.03473	0.9
119.08642	0.8
121.02908	1.0
125.02450	0.7
125.09694	2.1
127.11318	0.8
135.08144	0.8
137.09740	1.3
149.02481	2.6
151.00351	0.6
151.11301	0.6
164.04810	0.8
171.10275	20.8
172.10661	0.8
175.11394	0.9
179.05626	1.3
185.11891	0.8
193.12341	12.2
194.12659	1.3
194.99225	0.7
211.13362	2.2
221.11783	0.8
225.14981	17.8
226.15321	1.7
243.16029	8.8
249.03000	0.7
253.14236	1.2
291.12241	0.7
291.19659	1.8
297.27936	0.9
305.21368	0.6
311.09225	0.9
313.00067	1.4
323.22287	0.8
326.11725	1.1
340.99365	1.8
341.14642	5.1
341.23325	100.0
341.26700	4.3
342.23676	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03442	1.9
58.00594	3.9
59.01385	100.0
60.01694	1.9
61.12865	1.1
71.01389	68.3
71.29993	2.3
71.30340	1.1
72.99306	3.3
73.02936	1.0
83.01411	1.7
85.02959	10.6
87.00873	3.5
89.02451	80.4
90.02763	1.6
95.01411	3.0
95.31870	0.9
97.02964	1.1
101.01779	1.5
101.02451	31.8
113.02465	26.5
119.03509	28.1
131.03490	4.3
143.03474	7.3
149.04576	3.4
161.04578	8.6
179.05618	30.0
341.10883	37.2
342.11224	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13435	0.3
54.50949	0.3
57.03452	12.0
57.81080	0.2
59.01382	1.5
65.00320	0.7
68.77003	0.3
71.01385	0.7
74.22205	0.2
79.62146	0.3
81.03463	3.3
83.01394	8.3
84.01723	0.4
85.02960	0.3
89.02457	0.8
93.03440	0.3
97.02943	1.4
101.02462	0.5
107.01387	0.8
108.02203	0.8
119.03499	0.4
121.02962	0.5
123.04538	7.9
125.02453	100.0
126.02789	3.4
136.27473	0.3
137.02480	0.3
139.04012	1.0
149.02437	1.2
151.00371	1.2
159.04498	0.3
165.02005	0.4
167.03513	10.4
168.03793	0.5
174.92151	0.3
177.01985	0.5
193.01552	0.3
196.19810	0.3
215.10782	2.8
228.03506	0.3
253.66833	0.3
257.02133	0.3
257.11792	0.6
323.12894	0.9
340.99475	0.5
341.13934	1.4
341.17599	4.1
341.21194	0.6
341.27026	0.7
342.17911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1758
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
55.01883	0.6
57.03445	1.3
64.45521	0.5
65.07448	0.5
69.95146	2.2
69.95549	1.1
71.05029	4.5
76.56670	0.5
79.01894	3.8
81.03445	0.8
83.01409	1.2
83.05032	0.7
86.33913	0.6
88.42200	0.6
93.03468	1.1
94.45874	0.6
95.05034	17.1
96.86971	0.6
97.02971	3.5
97.06606	1.0
98.20648	0.6
100.02185	0.5
107.08701	0.7
109.02971	1.7
109.06575	0.7
111.79704	0.7
114.58257	0.7
121.02960	2.6
122.03799	0.8
135.04596	0.6
137.02443	0.8
137.06094	6.6
138.03238	2.2
139.04025	17.4
140.04381	1.3
147.11827	1.7
149.06093	1.2
151.04082	0.6
165.01913	5.1
166.02713	10.3
179.03522	2.5
180.04294	4.6
181.05058	3.2
186.04359	0.5
190.77385	0.6
193.05055	8.9
194.05829	3.4
198.01730	1.6
201.12839	1.5
207.06609	1.9
215.07077	1.2
226.04875	0.6
248.10635	1.1
285.11264	0.8
297.18744	4.6
323.16443	1.4
341.17572	100.0
342.17911	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	0.7
65.00321	3.1
65.62386	0.6
69.03446	1.3
69.44738	2.2
69.45134	2.5
77.15011	0.6
81.03439	1.1
81.92089	0.5
83.01406	0.8
89.72102	0.6
91.72413	0.6
93.03460	1.6
95.01398	4.8
97.02951	2.4
98.20613	1.5
99.71826	0.7
102.88906	0.6
105.03447	0.6
107.01405	1.4
111.00934	0.7
111.04541	2.9
118.26833	0.6
121.02948	0.9
123.00876	1.7
123.10803	0.6
124.01678	17.5
125.02455	1.2
135.04521	2.5
135.13141	0.7
137.02467	8.7
138.03232	1.4
139.00357	1.0
139.04022	14.9
140.04298	0.8
149.06030	0.8
150.03139	0.6
151.00378	7.0
151.04024	2.2
152.01169	13.3
163.03970	1.1
164.01161	1.0
165.01936	26.9
166.02713	8.3
169.02861	0.6
177.01897	0.9
178.02667	1.0
179.03505	36.3
180.04004	3.2
181.05077	7.8
182.05383	0.9
193.05077	7.7
194.05449	0.9
219.06670	1.1
233.08247	1.9
247.09462	0.7
285.11273	1.0
288.09915	0.6
296.19040	0.6
325.14517	2.3
341.17581	100.0
342.17920	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	341.1758
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
50.80453	0.7
54.68516	0.7
63.02425	0.8
65.00327	4.0
67.18848	0.6
69.03462	1.2
69.55234	4.5
81.03461	0.8
83.01405	1.5
89.00334	1.1
93.03494	1.4
95.01402	5.9
97.02956	1.9
107.01373	1.7
111.04514	3.3
121.02953	1.0
123.00888	2.0
123.04501	1.0
124.01670	18.1
125.02428	0.8
135.04521	2.7
137.02440	10.1
138.03279	1.6
139.00403	1.1
139.03004	1.1
139.04018	12.6
140.04248	0.8
149.06006	1.2
149.99570	0.8
151.00395	6.8
151.03992	1.9
152.01161	11.2
160.63814	0.7
163.03949	0.8
164.01170	1.6
165.01930	32.8
166.02721	8.5
178.02737	1.4
179.03505	32.3
180.04102	2.9
181.05049	2.8
193.05051	8.5
194.05360	0.7
217.08701	1.3
233.08211	1.5
247.09598	0.8
268.19922	0.7
285.11316	1.1
310.69720	0.6
311.12897	1.2
325.14410	1.6
326.14948	0.9
341.17575	100.0
342.17932	12.9
342.21933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
57.03453	2.2
58.00587	3.3
59.01388	100.0
60.01714	1.6
69.03458	2.4
69.08488	0.9
71.01392	71.3
71.59424	1.6
72.99319	4.1
73.02949	8.0
75.00884	4.2
81.03481	1.7
82.39636	1.0
83.01424	5.5
85.02962	19.2
87.00330	1.2
87.00887	29.5
89.02457	81.6
90.02791	1.7
93.06995	1.0
95.01398	4.8
96.37194	1.0
97.02958	5.1
99.00890	6.7
101.02459	49.9
113.02459	26.1
117.01984	3.6
119.03522	24.1
125.02486	9.2
129.01939	1.5
131.03516	4.8
141.01993	1.6
143.03513	15.3
149.04546	3.6
159.03026	1.3
161.03218	2.4
161.04575	45.2
162.05023	1.3
179.05627	74.3
180.05968	2.0
203.95496	1.4
237.06012	1.5
267.07187	2.2
281.08835	2.6
341.10916	89.3
342.11206	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	341.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.4
58.00586	3.2
59.01383	100.0
67.63881	1.5
71.01386	75.6
72.99304	4.6
73.02934	2.9
81.03442	2.5
83.01360	3.7
83.23451	1.5
85.02956	14.1
87.00881	5.3
88.98791	1.5
89.02453	91.3
90.02797	1.8
93.03445	3.0
95.01376	7.3
96.96014	33.6
97.02968	2.9
98.95548	1.6
101.02457	38.1
102.94136	1.5
109.02963	6.2
113.02457	31.5
119.03510	29.4
121.02961	1.9
123.00875	2.5
124.01628	2.4
125.02455	49.1
126.02845	2.5
131.03502	5.6
135.04532	31.5
136.04907	1.7
137.02448	15.0
139.04034	11.5
143.03488	9.5
149.04510	2.9
161.02431	7.3
161.04593	13.7
164.01106	2.7
165.01921	8.4
167.03516	8.9
175.03979	1.8
177.01993	2.0
177.05589	3.3
179.02071	2.4
179.03482	39.2
179.05594	36.6
180.03978	2.3
184.91603	2.0
185.24704	1.6
203.03587	2.7
219.06586	6.3
221.04462	3.9
250.77711	2.2
261.07611	2.6
261.13278	1.8
268.98050	1.6
297.10062	2.4
305.06680	61.2
306.06921	6.3
340.99261	2.9
341.02823	3.8
341.10535	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0882
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00604	1.4
59.01382	36.1
69.67628	3.5
71.01390	27.1
72.99308	2.7
73.02937	1.0
75.00875	0.5
85.02950	5.2
87.00887	2.0
89.02451	34.9
90.02764	0.5
95.01382	1.6
96.96024	6.1
97.02924	0.6
101.02451	15.3
107.05037	1.2
113.02463	10.7
117.03474	0.8
119.03512	11.9
125.02423	0.9
131.03506	2.0
132.89909	0.5
133.02934	1.1
134.03764	1.9
135.04536	90.2
136.04857	3.2
143.03502	3.3
149.04572	1.2
161.02527	3.3
161.04564	5.5
163.04050	1.2
164.04807	1.3
179.03511	100.0
179.05589	13.1
180.03862	4.9
208.00142	0.8
257.00604	0.6
281.06619	0.7
340.99380	0.7
341.02798	0.9
341.05051	0.9
341.11227	13.9
342.11154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.31211	0.6
52.37653	0.7
69.59866	4.0
69.60267	1.3
93.62247	0.6
163.11295	100.0
164.11624	5.7
214.00323	0.5
332.34854	0.6
339.23291	73.5
340.23569	11.0
358.80472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.03444	1.7
59.01373	1.8
63.13086	0.5
65.00343	0.5
65.03904	0.5
69.48580	3.3
69.49004	0.8
71.05013	0.5
71.45381	0.5
79.95765	1.8
81.03466	11.2
83.05021	0.8
98.20695	0.9
107.05063	0.8
108.02203	0.8
109.02960	1.1
109.06603	2.5
111.04512	0.6
119.05004	2.1
122.03763	4.0
123.04501	1.0
131.52861	0.5
133.06615	0.5
135.00998	0.5
135.04530	9.2
136.05194	0.7
137.02411	0.9
149.06064	2.1
149.09721	0.9
163.07527	1.0
163.11311	7.3
170.00418	1.8
177.09276	0.9
177.12798	0.6
183.01219	53.7
184.01599	2.8
191.10732	0.7
197.02753	2.8
205.12358	0.6
216.00983	1.0
225.05911	1.1
239.07405	0.9
261.18155	0.5
269.15640	0.5
283.16959	0.6
297.22232	1.9
298.22736	0.5
339.19861	100.0
339.23349	71.3
340.20184	13.1
340.23712	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	339.254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	1.5
70.04053	2.1
78.93257	0.5
83.77709	0.7
88.26949	0.5
120.28069	0.5
183.01205	1.2
279.23288	5.7
295.26376	0.9
297.24350	41.9
298.24716	5.3
339.16385	1.0
339.19907	3.2
339.25458	13.5
339.29065	1.1
339.32446	1.1
340.20560	0.7
340.25806	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	339.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19777	0.5
57.03446	0.9
57.96072	0.5
59.01385	1.2
68.99823	0.5
69.40463	3.9
69.40817	0.4
71.05027	0.5
79.95740	3.0
83.01397	1.2
85.06584	0.7
89.45606	0.5
91.02509	0.5
93.93414	0.5
95.01387	3.1
96.96014	100.0
97.95898	0.5
98.95607	1.8
98.96513	0.5
99.08151	0.5
107.01374	1.1
109.02942	0.6
110.02489	0.6
111.00903	0.5
111.27111	0.4
123.00864	3.5
124.01659	1.0
125.02428	0.5
127.11305	1.6
134.06026	0.5
141.09235	0.6
143.03587	0.6
145.01440	0.7
146.31042	0.4
151.00365	4.4
152.05400	1.2
153.01924	0.7
166.99887	2.6
169.01421	1.4
174.30449	0.5
176.03305	1.7
177.03851	1.6
184.42737	0.4
202.72224	0.5
205.80011	0.5
213.12628	0.4
213.44255	0.4
215.16541	0.7
230.96068	4.7
241.18175	0.7
244.03687	0.9
259.06119	2.1
259.19135	24.7
260.19470	1.3
289.52026	0.6
295.15726	0.5
317.09479	0.6
339.01648	2.1
339.14810	73.8
340.15182	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14315	0.8
53.41725	0.8
55.01882	1.2
59.01384	100.0
60.01712	1.0
71.01390	13.6
71.04359	1.9
73.02935	4.0
73.52723	0.9
75.00877	1.3
83.01371	1.6
85.02943	6.0
87.00892	1.3
89.02452	5.5
89.47115	1.0
95.01393	0.9
96.96021	22.6
96.96953	1.0
98.25084	1.0
99.00875	1.8
101.02457	12.4
113.02455	6.8
119.03477	2.4
123.04555	1.1
125.02417	1.9
133.02881	1.4
137.02393	1.4
148.04031	1.6
159.02942	1.9
160.04083	7.7
161.04558	9.9
163.62071	1.1
176.03535	6.7
177.01923	16.0
177.03833	8.1
178.05077	2.5
242.56543	0.9
255.60109	1.0
259.11801	1.6
268.65646	1.1
279.14493	23.4
280.15048	1.8
339.01566	2.2
339.07425	7.8
340.10391	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14315	0.8
53.41725	0.8
55.01882	1.2
59.01384	100.0
60.01712	1.0
71.01390	13.6
71.04359	1.9
73.02935	4.0
73.52723	0.9
75.00877	1.3
83.01371	1.6
85.02943	6.0
87.00892	1.3
89.02452	5.5
89.47115	1.0
95.01393	0.9
96.96021	22.6
96.96953	1.0
98.25084	1.0
99.00875	1.8
101.02457	12.4
113.02455	6.8
119.03477	2.4
123.04555	1.1
125.02417	1.9
133.02881	1.4
137.02393	1.4
148.04031	1.6
159.02942	1.9
160.04083	7.7
161.04558	9.9
163.62071	1.1
176.03535	6.7
177.01923	16.0
177.03833	8.1
178.05077	2.5
242.56543	0.9
255.60109	1.0
259.11801	1.6
268.65646	1.1
279.14493	23.4
280.15048	1.8
339.01566	2.2
339.07425	7.8
340.10391	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	339.1448
Annotation	4alpha-Hydroperioxi-10alpha-hydroxy-8alpha-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
Peak:m/z	Relative Intensity
55.01892	1.9
57.03446	9.3
57.87374	1.5
59.01390	7.8
69.03454	3.1
71.05030	11.1
72.27662	1.5
79.01904	6.0
80.40047	1.6
81.03465	10.4
83.01403	2.9
83.05022	2.2
85.02953	62.9
86.03329	2.4
87.00881	4.6
95.05038	8.4
96.96047	3.0
97.06600	6.4
98.19810	2.5
99.04531	11.5
109.06590	2.2
112.45673	1.8
121.02963	1.9
123.04526	36.4
125.02446	37.0
135.04562	2.1
135.08163	2.4
138.03214	4.5
139.04042	5.2
141.05548	2.7
151.00366	7.9
163.11336	2.8
166.02777	2.4
167.03468	5.5
171.10225	1.8
179.03575	2.9
179.10835	1.8
195.10303	6.5
206.99471	1.4
217.12318	7.0
221.11783	1.9
233.12006	1.7
235.13388	26.6
236.13634	2.0
239.12900	12.0
251.12822	2.7
259.13431	3.5
261.11160	2.7
261.73010	1.9
277.14484	20.7
278.11612	2.8
278.14630	2.1
279.12375	100.0
280.12775	7.3
293.13980	4.3
321.13452	9.4
322.14105	9.5
339.04739	2.0
339.14273	4.2
339.18216	3.9
340.01157	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	339.1451
Annotation	4alpha-Hydroperioxi-10alpha-hydroxy-8alpha-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
Peak:m/z	Relative Intensity
57.03429	0.7
59.01387	38.9
61.36557	0.6
63.81231	0.6
71.05026	6.4
72.18974	0.6
83.05030	1.9
85.02966	3.0
97.02975	1.0
98.19894	2.2
99.04549	4.6
103.25829	0.7
107.05025	1.7
109.02967	4.8
111.04518	1.8
113.02479	1.1
116.42570	0.7
118.17667	0.7
123.04527	2.6
125.02425	0.7
125.06097	2.5
125.09677	0.7
127.04034	8.7
137.02432	1.0
147.04645	0.6
149.02484	1.4
151.04013	4.2
152.04776	2.7
153.05612	3.1
161.06107	0.7
164.04808	1.1
167.03500	1.7
167.10762	1.3
169.05067	1.1
177.01976	1.6
178.02711	0.9
178.06346	0.9
182.02158	1.6
211.09758	2.9
216.09171	0.7
217.12349	0.7
219.10422	3.4
223.09790	1.4
229.17427	0.8
233.11902	3.2
235.13426	2.2
237.11319	1.4
245.08138	0.8
261.11349	11.6
277.14413	1.5
278.11258	0.7
279.12399	5.6
280.12878	1.0
281.10297	0.8
282.01770	1.5
283.11865	6.0
293.13977	7.2
295.15427	1.5
297.13425	2.6
320.17621	0.8
321.13467	31.7
321.20697	1.2
322.13730	4.2
324.12128	2.7
339.05783	4.6
339.14493	100.0
340.05725	0.7
340.14920	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	337.2021
Annotation	LISURIDE
Peak:m/z	Relative Intensity
53.40984	0.4
57.03444	0.7
59.01390	1.3
63.02411	1.2
65.00327	1.8
67.94824	0.4
68.40386	0.4
69.65802	2.7
83.01398	0.5
95.01387	1.6
97.02990	1.4
107.05083	0.4
115.78277	0.4
123.04449	0.5
124.01672	41.9
125.02573	3.0
135.04518	0.7
137.02481	0.8
138.03288	0.6
139.04021	100.0
140.04344	3.8
141.12939	0.5
149.99503	0.4
151.00368	1.5
152.01155	18.3
153.02007	4.9
161.02454	0.7
165.01944	2.0
166.02708	4.6
179.03519	5.6
180.04015	0.7
189.54015	0.4
193.05049	1.9
193.96585	0.5
223.06145	0.9
237.07652	1.0
272.37851	0.5
279.12314	0.6
293.13968	0.5
305.17477	1.4
321.17126	1.1
322.17627	0.5
337.20209	77.6
338.20517	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	337.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13735	0.3
59.01398	0.6
63.02428	0.8
65.00385	0.3
69.89661	1.4
83.47781	0.3
96.96043	0.4
97.02985	0.6
105.03501	0.6
124.01670	30.5
125.02024	1.2
138.03282	0.7
139.04022	100.0
140.04355	4.4
141.04482	0.3
147.08186	0.5
148.01678	1.2
163.04012	2.5
163.11295	0.3
166.02740	3.1
175.13928	0.3
181.05098	3.2
213.81180	0.3
337.20160	14.0
338.20566	1.7
346.53561	0.3
348.40213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0883
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
55.65399	0.3
57.71594	0.3
59.01376	2.4
67.66466	0.3
69.36131	2.7
71.01389	0.7
85.02934	0.9
89.02467	0.3
92.05057	3.7
93.03426	0.4
95.41616	0.3
96.95989	0.4
102.03497	1.3
102.04163	0.3
102.97218	0.3
118.02966	0.5
119.04324	0.3
120.04543	2.4
132.04573	0.4
144.04573	0.7
146.01410	0.5
146.02489	5.1
147.03293	2.2
148.04045	3.9
158.06111	0.6
174.01950	1.0
174.05600	0.4
175.02744	57.4
176.03525	100.0
177.03864	4.1
177.23129	0.4
182.09621	0.3
186.05603	1.0
188.03508	1.4
191.05624	4.7
192.05943	3.5
193.06061	0.6
207.05135	0.7
337.24545	0.3
338.08807	50.2
339.09003	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	338.0883
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
59.01388	2.8
69.25594	0.3
69.68006	1.6
71.01401	0.4
85.02966	0.3
92.05067	3.4
95.68751	0.3
96.96023	1.3
102.03513	1.1
118.03008	0.3
119.04941	0.3
120.04564	2.9
131.10486	0.3
146.02464	2.0
147.03267	1.2
148.04059	3.0
158.02484	0.6
158.06041	0.3
163.04112	0.5
164.04384	0.4
174.01974	0.4
175.02753	21.6
176.03532	100.0
177.02007	0.9
177.03879	5.0
186.05586	0.3
188.03560	0.4
191.05618	0.7
192.05927	0.5
273.07556	0.3
279.14377	0.5
289.54504	0.3
330.17929	0.3
338.08844	22.2
339.09143	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	337.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01385	17.9
69.03438	0.5
69.31462	0.8
69.31860	3.9
71.05037	2.8
73.16219	0.4
79.95761	1.4
83.01398	0.5
85.02921	0.5
85.06609	1.1
95.25179	0.4
96.96017	100.0
97.95926	0.5
99.04514	1.8
109.02976	0.9
111.99147	0.4
123.04495	0.6
124.01640	0.6
125.02456	4.0
127.04017	4.9
138.03267	0.5
139.03993	1.4
151.03989	1.1
152.01196	0.5
152.04897	0.8
153.05571	0.9
164.04808	0.5
167.03471	0.8
170.26208	0.4
177.09259	0.8
178.06560	0.4
181.05064	0.5
192.74257	0.4
205.05017	0.6
215.10818	0.8
217.08752	0.6
221.08141	1.0
222.59532	0.4
223.06111	0.6
233.11848	1.0
235.09789	1.2
257.21234	13.8
258.21664	1.1
259.09726	2.9
277.10809	6.0
281.10437	0.5
290.97394	0.4
295.15308	0.4
308.27408	0.5
319.11887	3.3
320.12228	0.6
326.39664	0.4
337.12949	25.4
337.16953	62.6
338.13260	2.7
338.17297	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	337.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83781	1.7
57.03441	8.8
58.58240	1.9
59.01385	11.2
68.99811	2.5
69.03443	5.9
71.05019	8.0
71.60661	3.1
79.01892	3.0
81.03443	3.9
83.01395	5.5
83.05013	5.7
85.02946	10.2
93.03458	4.5
95.01392	6.3
95.05054	10.8
96.95971	3.2
97.02978	9.0
104.46751	1.7
106.55545	1.9
107.05032	2.8
109.02969	13.1
109.06609	2.6
111.04528	15.4
113.02466	21.6
121.02959	5.7
121.42229	1.7
122.03773	3.1
123.04565	2.3
123.08170	4.0
124.01653	3.8
125.02453	4.7
125.09721	4.3
136.05167	2.1
137.02458	16.3
137.33408	2.1
138.03313	9.1
139.04037	34.3
140.01193	3.1
141.01933	2.3
148.05368	2.4
149.06029	2.0
151.03987	4.7
153.01939	2.3
154.02779	2.1
155.03543	17.1
161.79218	2.4
163.03987	3.3
165.01947	27.4
166.02725	19.5
167.03539	1.9
179.03525	17.0
180.04294	81.9
181.04659	4.9
191.05666	2.1
193.05106	15.9
195.03000	4.3
198.01674	3.7
199.13373	2.9
205.05096	2.2
207.06767	2.5
210.47209	1.8
212.03236	11.4
219.13940	3.1
221.08229	4.8
223.13353	4.4
233.15311	2.6
235.09799	3.7
237.14679	2.1
237.61858	2.2
249.11444	2.1
249.15036	2.6
251.16399	1.8
263.12897	4.5
264.13712	7.6
275.16541	15.1
277.14514	11.5
278.14993	2.9
291.16061	22.7
293.14117	2.4
293.17514	9.0
293.20865	2.6
295.15552	22.2
296.15878	2.7
309.16846	2.5
319.11768	4.8
319.15527	93.0
320.15771	9.4
322.14175	3.4
337.13016	4.6
337.16534	100.0
337.19690	4.8
337.23648	5.0
338.16754	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	337.1658
Annotation	Trimethylolpropane trimethacrylate
Peak:m/z	Relative Intensity
59.01384	7.6
65.00319	0.9
67.12177	0.4
68.99775	0.4
69.94247	2.1
71.01374	0.7
79.01890	1.1
79.34655	0.4
83.01390	0.6
85.02945	3.9
86.58717	0.4
95.01379	1.2
96.96011	0.5
98.19952	0.6
105.03448	0.5
107.05064	0.5
109.02957	1.0
111.04511	1.0
121.02950	0.6
123.00867	1.4
124.01667	7.7
127.04031	1.1
135.04485	1.0
137.02466	1.8
138.03239	11.9
139.04027	3.4
149.06096	1.0
151.00420	0.7
151.03986	0.9
152.01160	10.8
153.05577	7.1
165.01935	7.1
166.02721	21.6
167.03070	0.7
170.02167	1.1
179.03499	5.2
180.04274	3.7
193.05058	6.7
201.12790	0.6
207.06651	1.9
221.08153	0.9
235.09799	0.6
261.11374	0.7
261.14465	0.4
262.12036	1.2
263.12863	4.0
277.14459	8.1
278.14856	0.5
279.12305	1.6
293.13721	0.6
293.21094	1.1
295.15527	8.4
296.15768	1.0
321.13477	1.4
322.14188	5.8
323.14508	0.5
337.16571	100.0
338.16949	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	337.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30920	0.5
57.03445	1.3
59.01098	0.8
59.01382	14.1
65.00343	0.8
69.76212	0.5
71.05025	4.6
75.45749	0.5
79.01904	2.0
93.03481	1.1
95.05035	10.7
95.05606	1.0
97.02956	3.1
121.02962	2.2
122.03765	1.1
135.04561	0.8
137.02417	0.6
137.06090	0.8
139.04028	14.5
140.04337	0.6
152.01212	0.7
154.01649	0.5
155.10744	0.6
161.02614	0.5
165.01962	1.9
177.12805	0.9
179.10733	0.8
191.14407	0.9
195.13890	1.3
197.11821	1.0
209.15459	1.2
231.13795	0.6
233.15463	10.1
234.15787	0.6
239.12903	1.5
251.16589	3.4
270.81778	0.5
276.13553	0.5
277.14444	15.1
278.14807	1.5
293.17624	15.5
294.17978	1.6
295.15576	5.2
319.15646	0.9
337.16586	100.0
338.16940	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	337.1297
Annotation	15-Acetyl Deoxynivalenol
Peak:m/z	Relative Intensity
57.03443	1.5
59.01387	34.4
71.01415	0.5
71.05027	4.9
76.22983	0.5
78.95105	0.6
79.95745	2.0
81.03475	1.0
83.01411	0.8
83.05026	1.6
83.10082	0.5
85.06619	0.9
87.04543	0.5
93.03456	0.5
96.96021	100.0
97.02962	0.5
99.04507	4.1
107.05083	1.1
109.02952	1.8
109.06602	0.5
111.04536	0.5
119.05064	0.7
123.04552	1.6
123.08127	0.6
125.02467	8.2
125.06102	1.0
127.04028	9.8
133.06601	1.0
135.08168	0.9
137.02446	0.5
139.04013	1.8
149.02480	0.8
149.06052	1.3
151.04018	2.3
151.07617	0.5
152.01111	0.9
152.04770	1.7
153.05576	1.9
155.10825	0.6
161.06084	0.7
163.04013	1.1
164.04753	0.8
167.03546	1.6
173.09776	0.7
175.07655	0.6
177.01958	0.6
177.09187	1.4
178.02731	0.8
178.06384	0.6
179.07205	1.0
189.09262	1.2
191.03516	0.6
191.05647	0.6
191.10823	0.8
205.05072	3.0
206.05730	0.6
215.10822	1.0
217.08723	3.2
221.08252	2.0
223.06172	1.4
231.10297	1.3
233.11842	1.4
235.09795	3.1
257.21234	14.7
258.21576	1.6
259.09793	6.1
260.10092	0.8
277.10828	14.0
278.11044	1.3
293.14011	0.8
305.13913	1.0
319.11917	4.4
319.15454	1.0
320.12363	0.6
337.12939	51.1
337.16949	67.2
338.13281	5.6
338.17291	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87964	0.5
55.01889	0.8
57.03451	1.0
58.16032	0.5
59.01385	3.0
59.34626	0.5
68.99833	3.2
69.35854	1.2
69.36269	2.8
71.01392	2.8
73.02937	1.4
75.00880	1.4
75.80722	0.4
78.95910	1.0
81.39734	0.5
83.01398	1.8
85.02957	5.5
87.00879	2.5
89.02445	1.1
95.01408	1.1
96.96964	1.8
97.02966	0.8
99.00900	6.0
101.02454	1.7
111.00908	3.0
111.43186	0.6
113.02465	6.9
113.99598	19.2
115.00408	7.1
127.00357	2.5
129.01993	2.5
133.06613	1.2
135.04501	0.8
139.00377	0.9
149.02455	0.9
149.06129	0.8
151.04008	1.1
157.01434	4.3
159.04512	0.6
161.06111	2.0
162.03253	0.6
163.04021	2.6
169.01408	1.3
174.01706	17.7
175.02382	1.5
177.05528	1.1
187.03999	1.4
193.01402	2.5
205.05083	3.6
249.04059	2.3
260.13818	0.6
260.46906	0.4
277.05676	21.1
278.06085	1.2
337.07773	100.0
338.08145	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	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.00943	0.2
57.03464	0.2
58.41769	0.3
59.01379	2.0
60.92610	0.3
65.59818	0.3
66.36007	0.2
67.01900	1.2
69.31530	2.2
69.31850	0.3
71.01388	1.5
81.03465	0.3
85.02956	6.5
87.00874	1.9
89.02444	0.2
93.03465	5.6
94.03741	0.3
96.96028	0.8
97.60568	0.2
99.04502	0.3
101.06090	0.6
109.02975	0.7
111.04508	1.4
113.02432	0.6
117.03478	0.4
119.05023	2.3
127.04007	2.0
142.32114	0.2
145.02943	0.7
146.02496	0.4
147.03209	0.4
148.04135	0.3
154.95949	0.3
155.03479	0.3
156.99908	0.2
163.04018	2.5
171.03004	0.5
173.04532	2.3
175.02757	6.1
176.03535	9.2
181.34090	0.2
190.31183	0.3
191.05617	100.0
192.05963	5.6
205.57077	0.2
337.09418	2.4
337.15002	0.8
338.08829	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
57.03477	2.2
59.01387	100.0
59.79272	1.8
69.88878	9.9
71.01389	38.8
73.02950	10.5
75.00884	9.2
83.01390	5.4
85.02974	18.6
87.00892	4.6
88.48319	1.8
89.02447	30.3
95.01430	3.2
95.04992	2.0
96.96050	2.2
98.20605	3.4
99.00899	5.6
101.02456	34.2
103.03980	3.4
113.02457	16.1
113.99593	3.6
114.46404	1.8
115.00396	3.5
115.04036	14.5
117.05596	14.2
119.03539	7.9
119.04962	2.1
121.03011	3.0
133.06586	5.7
135.04529	4.4
137.02496	3.0
143.03549	2.6
145.02942	3.8
149.02463	4.3
151.04042	5.2
157.01439	3.1
159.04460	3.5
161.04535	9.1
161.06073	5.8
163.03987	10.7
174.01640	3.7
175.02550	4.0
175.06142	9.0
177.05634	4.7
179.05666	4.4
185.49179	2.0
187.04044	5.3
187.39862	2.2
190.02769	3.1
193.01405	13.8
203.03590	2.3
205.05070	19.9
219.05049	4.6
231.02866	2.4
235.08371	2.0
249.04115	15.8
277.06030	4.5
277.09274	14.7
281.57602	1.9
337.02310	14.7
337.07736	22.2
337.11469	39.2
337.14609	2.1
338.11957	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.039
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22640	0.6
72.06388	0.7
79.95715	4.4
80.96549	0.9
89.04005	1.8
93.03468	3.5
95.05018	0.9
96.96012	5.5
98.19814	1.1
106.04259	5.2
107.05038	11.0
108.02197	1.7
108.05344	0.9
121.02966	2.0
133.02965	100.0
134.03308	4.3
151.04005	0.8
209.06110	1.2
210.06540	0.7
211.07634	21.0
212.08047	1.9
213.09222	20.5
214.09537	2.6
214.18741	0.7
239.07143	82.7
240.07506	7.3
257.08191	83.2
258.08582	7.5
319.02808	44.1
320.03067	4.8
337.03906	46.9
337.13208	2.7
338.04236	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	337.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
56.28690	0.5
57.03435	0.9
59.01384	4.7
65.03976	1.1
67.01890	1.1
68.99829	3.1
69.03460	1.3
69.49842	3.6
71.01388	3.6
71.64041	0.4
71.75092	0.4
72.99294	0.8
73.02954	1.5
75.00859	1.5
79.77794	0.4
81.03446	0.4
83.01395	2.0
85.02957	7.0
85.95806	0.5
87.00893	1.8
89.02467	1.1
90.92453	0.5
91.05544	1.1
93.03477	2.2
95.01382	1.5
97.02933	1.1
98.19844	0.5
99.00896	8.6
101.02451	2.7
103.05556	0.5
105.03476	3.0
105.07111	1.4
107.05047	3.7
109.02926	0.9
111.00886	2.9
112.98826	0.6
113.02454	10.3
113.99600	18.3
115.00391	8.3
115.05539	1.0
117.03473	1.7
119.05030	3.4
121.02959	3.1
121.06620	4.6
123.00912	0.6
123.04543	2.1
125.02448	1.8
127.00410	2.8
129.01947	2.7
131.05020	1.8
133.02939	0.6
133.06612	13.0
134.03729	1.0
134.07037	0.7
135.04549	8.5
137.02472	3.0
139.00407	1.3
141.01953	0.6
143.05054	1.7
145.02983	6.1
146.03773	2.5
147.04533	1.0
148.01662	0.6
149.02461	6.3
149.06079	5.6
150.06380	0.5
151.04027	12.2
157.01434	9.4
159.04527	10.0
160.05243	2.1
161.02454	1.9
161.06087	20.4
162.03239	6.0
162.06435	1.2
163.04025	29.4
164.01172	0.8
164.04353	1.2
165.01982	3.6
167.03473	0.8
169.01428	2.2
171.47359	0.5
174.00198	0.9
174.01709	18.3
175.00401	0.8
175.02354	2.2
175.04016	1.7
175.06091	0.5
177.01955	1.8
177.05577	10.1
187.04028	13.8
188.04468	1.3
189.01988	0.7
190.02710	6.6
191.03484	2.5
193.01433	32.4
194.01761	1.8
195.02983	0.8
203.03514	3.7
204.04118	1.2
205.05072	49.4
206.05438	2.9
219.02957	0.7
221.04614	1.5
222.04858	0.5
224.74918	0.5
231.03003	2.3
233.00858	2.9
237.00468	2.5
247.02603	0.8
249.04062	36.5
250.04399	3.0
261.00446	0.5
275.01950	1.8
277.05670	21.6
278.06076	1.3
291.01505	0.6
293.03085	6.5
294.03503	0.6
328.18646	0.5
337.02020	32.0
337.07770	100.0
338.02411	3.2
338.08109	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	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
56.06929	0.3
58.21141	0.3
64.34344	0.3
64.66874	0.3
64.85574	0.3
69.77079	1.0
69.77486	0.6
71.05025	14.0
72.05342	0.3
74.10860	0.3
77.03980	0.3
79.01917	0.4
83.01392	1.3
85.02930	0.2
95.05031	1.4
97.02956	7.5
121.02987	0.5
124.01671	1.1
135.04535	0.7
137.06114	0.7
139.04019	100.0
140.04361	3.7
148.01692	0.4
161.09770	0.3
163.04013	1.3
165.01897	1.4
177.01926	0.7
181.05066	1.2
193.05096	0.4
195.13910	6.2
195.15549	0.5
196.14221	0.4
260.58575	0.3
335.18649	10.2
335.22583	0.7
336.18835	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	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61454	0.4
52.12467	0.3
55.01888	0.7
57.03452	0.4
67.16650	0.4
69.64519	2.7
73.02988	0.5
79.00455	0.4
79.01909	3.5
84.27819	0.3
85.06601	5.5
91.05554	0.7
97.02968	2.3
105.96786	0.3
106.34872	0.4
107.05023	1.1
109.06603	7.3
111.04534	6.8
127.22400	0.4
133.52638	0.4
135.04535	2.7
139.04053	0.4
144.56519	0.4
145.22701	0.4
147.00940	0.7
149.06094	0.7
151.04034	1.1
153.05592	27.1
154.05925	1.0
162.06816	0.6
165.44725	0.4
175.00290	0.4
179.03520	1.9
194.59319	0.4
196.05128	0.4
197.19058	0.7
218.99411	0.5
223.17075	3.5
235.20679	4.4
236.58119	0.4
288.88940	0.4
289.21735	1.3
291.19992	0.9
291.23334	17.6
292.23691	1.7
308.06454	0.4
317.21271	1.4
333.20468	0.7
335.22302	100.0
336.22662	12.6
336.25824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39099	0.6
57.03451	1.5
59.01376	1.9
65.00328	1.7
81.03465	18.8
81.61033	0.6
83.01374	1.1
92.01784	0.7
107.01388	0.8
122.03722	1.9
125.02467	5.6
132.19009	0.7
151.00334	1.3
154.26889	0.6
198.19321	0.8
202.73856	0.6
225.22319	1.0
227.20157	1.2
249.22275	5.5
251.20204	7.3
291.23322	42.7
292.23611	6.6
295.87726	0.8
317.21161	2.1
335.22296	100.0
336.22650	14.3
352.58499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
56.62708	0.3
56.68303	0.3
70.36133	0.9
77.03990	0.6
79.01893	0.8
85.83834	0.3
86.99522	0.3
94.97536	0.3
98.29672	0.3
105.03473	0.6
109.02960	1.1
110.00072	0.4
111.04543	0.6
119.01305	0.4
125.02477	0.4
129.26140	0.4
135.04529	0.9
137.02477	1.9
138.03235	10.5
139.03966	0.7
147.00845	0.7
149.05986	0.6
151.04068	0.6
153.05588	7.5
164.01163	0.9
165.01939	5.4
165.05537	0.4
166.02724	20.5
167.03043	0.9
170.02214	0.7
175.00516	0.4
175.04013	0.5
179.03496	2.4
180.04301	4.7
193.05069	7.4
194.05659	1.0
198.01770	0.5
200.54947	0.3
202.99890	0.4
207.06645	1.5
222.08928	0.3
235.09752	1.1
249.11226	1.1
259.20645	1.3
263.12848	1.3
267.00922	0.4
277.14539	0.7
291.16074	1.0
303.19467	0.4
319.19138	1.8
320.19928	5.3
321.20233	0.6
335.22290	100.0
336.18552	0.7
336.22598	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	335.2229
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
53.77961	0.9
57.03449	3.1
59.01380	11.2
59.13233	0.8
65.00328	3.4
67.01882	0.9
67.05492	0.9
69.61786	5.8
69.65736	0.8
69.77299	1.0
81.03477	2.3
83.05035	3.9
89.00315	1.3
93.03474	1.4
95.05030	1.9
97.02963	3.1
113.09731	1.9
119.08656	1.3
121.02962	1.9
124.01659	10.2
135.04514	1.0
135.08179	2.5
137.02466	2.9
137.06100	0.9
137.09723	21.4
138.10051	1.4
139.04016	29.3
147.00865	1.5
149.99603	1.7
152.01141	2.3
153.05592	1.3
162.28329	0.9
163.04054	1.4
165.01926	14.7
175.00375	0.9
177.01942	8.6
177.12856	68.8
178.13181	4.8
178.30255	0.8
179.10779	5.8
196.66644	0.9
205.05045	3.3
216.53647	0.9
221.08244	1.9
249.22238	3.5
249.78700	0.9
273.22183	0.9
275.20108	1.9
291.23248	9.9
293.21262	3.7
335.18561	44.3
335.22305	100.0
336.18893	4.7
336.22641	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	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	10.8
67.68907	1.0
69.72285	3.9
69.72693	2.2
69.73997	1.0
80.02699	1.1
81.03448	0.9
89.00332	2.6
90.80741	0.9
91.01880	2.4
91.19352	0.9
95.01408	1.2
95.05014	1.8
97.02961	8.3
98.19902	1.9
104.45142	0.9
108.26773	0.9
111.94875	0.9
121.02968	5.7
124.01667	25.2
137.02438	9.0
137.06076	1.7
139.04019	79.2
140.04356	3.4
149.99577	2.1
151.00365	1.8
152.01167	6.3
161.06157	1.4
163.03978	1.7
165.01927	43.0
166.02454	2.9
177.01938	23.2
178.02290	1.0
187.19446	0.9
191.03622	2.2
205.05052	10.3
221.08208	2.6
274.71671	1.2
303.15875	1.1
335.18637	100.0
336.18958	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	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45902	0.5
56.95473	0.5
59.01356	0.6
63.02391	1.1
65.00323	2.9
69.85920	3.1
69.88954	0.5
70.31136	0.5
71.21038	0.6
81.03469	0.6
83.05021	0.7
85.02888	0.5
89.00337	0.6
89.36330	0.5
95.01402	3.9
97.02948	1.8
98.19910	0.6
100.49292	0.5
111.04509	0.7
121.02951	1.2
123.00880	1.9
124.01669	24.9
125.02441	1.9
135.04526	0.7
137.02440	1.1
139.04024	35.3
140.04375	1.3
147.00873	0.7
149.06070	1.9
151.00359	2.2
152.01164	23.4
160.91245	0.6
163.09389	0.5
165.01939	3.9
166.02695	1.9
167.03514	1.4
175.00395	1.2
177.01942	0.6
179.03519	9.8
180.04221	2.2
193.03316	1.0
193.05080	16.5
194.05544	0.9
207.06744	2.7
208.07402	2.0
212.03261	0.6
218.99278	0.9
263.09268	2.6
291.12259	0.7
317.17670	1.9
320.16132	0.6
335.18643	100.0
336.18939	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	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66678	0.4
57.03444	3.0
57.40816	0.4
63.02411	1.1
64.07792	0.5
65.00317	2.5
69.03458	0.9
69.71628	2.8
81.03430	0.4
83.01370	0.7
91.01881	0.6
93.03532	0.5
95.01404	1.8
97.02955	2.1
98.19898	0.9
99.45818	0.4
105.03487	0.7
109.06593	0.6
111.04533	1.6
121.02950	0.6
122.03761	0.6
123.00883	1.0
124.01669	38.2
125.02476	0.9
133.06606	0.6
135.04491	2.4
137.02472	1.7
137.06148	0.9
138.03236	4.1
139.04016	94.9
140.04382	2.8
141.12865	1.1
146.67349	0.4
148.01698	0.9
149.99529	0.5
151.00349	3.1
151.04047	1.0
152.01147	6.8
163.04025	1.3
164.01076	0.9
165.01927	2.9
166.02713	15.7
167.03078	0.9
177.05626	1.1
178.02632	0.6
179.03506	30.7
180.03859	1.1
181.05070	15.0
182.05348	0.6
193.05037	6.0
194.05553	0.7
221.19153	1.1
249.07787	0.9
263.20432	0.5
303.15915	0.9
335.18637	100.0
335.25677	3.2
336.18979	11.8
336.22952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
57.37358	0.3
62.32808	0.3
63.02392	0.9
65.00330	0.6
65.70418	0.3
69.41977	1.2
69.42412	1.6
71.05025	0.7
73.54462	0.3
81.03450	0.6
83.01398	2.2
84.38459	0.3
88.95823	0.3
95.01398	0.3
95.05043	0.5
97.02960	1.3
111.95323	0.3
114.14995	0.3
121.02969	0.4
124.01669	37.2
125.02469	22.8
126.02762	0.9
127.04591	0.4
139.04019	100.0
140.04369	3.6
151.00342	0.5
152.01141	3.7
163.03984	0.7
163.09570	0.3
163.70419	0.3
165.01926	0.5
167.03569	0.7
178.11552	0.3
179.03482	0.8
195.13881	0.5
209.15465	1.3
237.20325	0.3
259.91254	0.3
291.58603	0.4
335.18655	35.6
336.19046	4.2
359.57767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26635	0.3
56.66462	0.3
59.01376	1.1
62.85183	0.4
64.62180	0.3
66.82546	0.3
69.49781	2.4
74.62009	0.4
78.01952	0.3
79.95716	2.4
85.02965	0.3
89.09008	0.4
96.14826	0.3
96.96017	100.0
97.95963	0.4
119.01395	0.7
125.02445	0.6
131.01320	0.4
134.83521	0.3
147.00893	0.8
151.00333	0.3
175.00381	0.6
202.99857	0.9
246.98961	0.4
255.19696	2.9
317.56033	0.4
334.96814	1.2
335.15347	73.0
336.15674	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	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03444	3.9
59.01370	0.7
61.84558	0.4
62.06267	0.4
71.05018	1.5
74.89670	0.5
79.01902	2.7
81.03481	0.8
83.05009	0.7
85.06593	5.0
91.05536	0.7
93.03519	0.4
95.05074	0.5
97.02953	1.6
97.06606	1.4
107.05044	0.7
109.06596	9.5
111.04518	6.2
111.08189	0.9
135.04514	3.3
136.05350	1.0
149.06046	0.5
151.03999	0.7
153.05585	29.1
154.05907	1.1
179.03470	2.4
194.05759	0.5
233.15529	0.6
235.17020	1.2
273.18564	2.0
275.12909	0.5
289.18100	1.1
291.19672	3.8
292.20114	0.5
317.17697	0.7
335.18646	100.0
336.15131	0.8
336.19009	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	335.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
65.00339	2.2
65.00612	0.4
69.53583	2.7
71.05005	0.4
77.03966	0.7
79.01891	1.3
81.03436	0.5
83.01424	0.5
85.06600	0.6
95.01389	1.2
95.05045	0.5
96.02135	0.6
97.02954	1.4
98.20621	0.7
100.71074	0.4
103.01895	0.4
105.03454	0.8
107.05033	0.5
109.02972	0.6
109.06570	1.0
111.04511	1.0
113.60706	0.4
121.02990	1.2
123.00895	1.0
123.04536	0.6
124.01669	14.4
125.02418	1.4
135.04506	1.3
137.02441	3.1
137.06078	0.5
138.03239	14.4
139.04048	8.6
149.06078	1.5
151.00356	1.1
151.04004	0.9
152.01163	16.9
153.05589	22.4
154.05884	1.1
163.07686	0.6
164.01143	0.9
165.01929	8.2
166.02718	18.9
167.03125	1.0
170.02214	0.5
175.03973	0.5
175.11320	0.5
179.03502	7.6
180.04301	5.6
181.04784	0.5
184.58955	0.4
193.05060	10.0
194.05571	1.2
198.01852	0.4
199.11317	0.8
205.12485	0.5
207.06601	3.3
208.06891	0.5
212.03267	0.5
217.12276	1.2
219.06689	0.6
219.13972	0.4
221.08232	0.8
235.09659	1.6
243.10196	0.5
249.11287	5.0
250.11797	0.7
259.16956	1.0
261.11325	7.2
262.11514	1.0
263.12833	1.9
275.12930	9.3
276.13318	0.8
277.10922	2.4
291.16174	0.7
291.19623	0.9
293.13980	6.8
303.16010	2.5
305.13947	1.7
319.15561	2.5
320.16107	0.5
335.14929	44.3
335.18619	100.0
336.15237	4.9
336.18964	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	335.1502
Annotation	Illudacetalic acid
Peak:m/z	Relative Intensity
57.03439	0.6
57.30972	0.4
59.01385	15.9
63.02414	0.5
63.51577	0.5
65.00324	3.1
69.47185	3.1
72.90417	0.5
76.41673	0.5
81.03474	1.1
83.01408	0.8
85.32227	0.4
89.00332	0.7
91.01884	0.6
95.01414	3.1
95.05072	0.5
97.02962	2.2
109.02988	0.7
111.00857	0.7
111.04520	0.9
121.02974	0.5
122.03716	0.6
123.00909	1.7
123.04531	0.8
124.01669	28.8
125.02541	2.5
128.84541	0.4
135.04536	1.3
137.02449	2.3
138.03235	1.9
139.04021	16.2
140.04408	0.9
149.06078	0.8
149.40981	0.4
149.99644	1.0
151.00409	2.7
151.04027	0.9
152.01164	39.7
153.01462	1.2
165.01938	8.7
166.02728	7.3
177.01941	1.4
179.03510	19.2
180.04172	2.1
193.05060	8.7
199.11316	1.6
207.06644	1.3
217.12360	1.1
219.06660	3.3
231.06622	0.5
243.10320	1.5
260.10565	1.7
261.11322	9.2
262.11688	0.8
275.12906	43.4
276.13208	4.4
277.10709	2.5
278.35913	0.6
293.13940	8.0
335.15033	100.0
335.18668	11.4
336.15414	11.0
336.19061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74781	0.7
55.01882	1.3
57.03457	4.1
58.94939	0.6
59.01384	46.9
59.73632	0.6
60.90084	0.5
61.54653	0.7
65.00334	2.6
70.75727	1.4
79.01903	2.4
81.03460	15.1
83.01401	2.5
85.02972	0.8
85.06596	1.6
95.05042	0.9
96.88692	0.7
97.02953	1.9
100.85963	0.7
107.01410	1.9
108.02240	0.9
109.06603	4.0
111.04525	3.7
121.02907	0.8
122.03735	1.6
123.04514	1.5
124.01652	1.5
125.02462	8.0
135.04515	1.8
139.04013	2.6
149.06114	1.0
149.09749	0.8
150.11348	0.7
151.00397	2.7
153.05586	13.5
167.07220	1.3
167.16232	0.7
177.12883	1.3
179.03484	1.8
191.10767	0.9
191.14377	0.7
205.16089	0.7
207.13963	1.1
218.99495	0.7
219.13904	3.9
231.13902	15.4
232.14218	1.5
241.13513	0.7
245.48837	0.8
251.12907	0.7
271.92422	0.6
275.12894	25.1
276.13318	3.0
289.18076	0.9
291.16095	13.9
291.19626	2.1
292.16528	1.3
293.14026	5.3
306.86932	0.7
335.14984	100.0
335.18680	42.0
336.15320	11.9
336.19061	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.4
57.03458	2.0
59.01385	33.0
60.01724	0.4
69.49217	2.8
71.05026	6.0
77.03980	0.6
78.17908	0.4
79.01896	3.5
81.03447	0.8
93.03468	0.9
95.05038	13.8
96.05348	0.5
97.02957	3.6
109.02946	0.7
109.06605	0.8
121.02977	3.2
122.03767	1.9
123.04547	0.5
123.08138	0.6
135.04558	0.9
135.08165	1.8
136.05266	0.8
136.51538	0.4
137.02428	0.8
137.06093	5.9
138.03214	0.6
139.04024	21.8
140.04399	0.9
147.00938	0.4
153.05530	1.0
165.01955	3.8
166.02704	1.4
177.09250	1.3
179.03528	0.6
180.04318	0.9
181.05110	0.9
189.12927	1.0
193.05080	0.9
219.17540	0.8
231.13904	20.0
232.14238	2.0
237.11588	0.4
246.16289	0.4
249.14915	0.6
257.11981	0.6
261.18616	2.8
275.12903	49.2
276.13293	5.0
291.16080	5.4
291.19312	0.7
292.16293	0.7
293.13947	3.2
305.17377	0.4
335.15045	100.0
335.18741	19.7
336.15405	10.3
336.19098	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	335.1501
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
52.05696	0.4
53.02811	0.4
55.01892	0.8
55.31947	0.4
56.38588	0.4
57.03442	0.6
59.01372	1.3
61.77234	0.4
65.00338	0.4
71.05037	0.6
71.59642	0.7
71.60047	0.5
73.53497	0.4
77.33788	0.4
79.01904	1.0
81.03455	0.6
83.05023	1.0
85.02979	0.7
85.06596	16.3
85.64931	0.4
89.16248	0.5
93.03460	0.7
97.02967	2.3
97.06591	0.5
102.03622	0.4
107.05032	0.7
109.02956	0.8
109.06598	9.3
111.04521	4.5
113.02456	0.6
119.01409	1.1
125.02465	1.9
135.04529	0.6
137.09734	2.5
139.04007	1.2
141.50652	0.4
147.00925	0.7
151.03893	0.5
152.01407	0.4
153.05585	100.0
154.05943	4.1
167.07196	0.7
175.00406	1.0
179.03552	0.8
179.10760	4.2
190.99915	0.6
191.14417	3.4
202.99927	0.7
215.10782	1.6
218.99303	0.5
246.98689	0.7
247.17088	4.9
248.17377	0.7
279.79669	0.4
291.16074	2.6
312.46002	0.5
316.98248	0.5
317.14117	0.7
334.96872	0.7
335.15024	48.5
335.18555	2.7
336.15424	5.1
350.56479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1501
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
55.01855	0.8
57.03448	6.8
59.01367	2.5
68.99820	0.8
69.03448	2.0
71.05034	4.0
81.03460	7.5
83.01402	2.6
83.05029	2.2
84.15218	0.6
85.02950	3.2
85.32319	0.6
95.01383	0.6
97.02976	0.8
97.06602	0.9
99.04528	2.9
107.05074	1.6
109.02973	5.5
109.06583	1.0
111.04508	3.0
113.02458	1.2
119.01395	0.8
122.03700	0.9
123.04551	5.6
125.02451	54.6
125.06071	2.7
126.02808	1.4
127.04023	5.7
139.03998	1.4
143.03329	0.7
147.00870	1.1
151.04031	6.3
151.07620	0.8
152.04810	1.5
153.05576	3.4
164.04742	1.0
165.09219	0.9
165.12798	2.5
167.03552	1.1
175.00371	1.3
177.01881	1.1
183.10228	1.6
205.15913	5.7
206.05783	0.7
207.13889	13.6
223.17014	0.8
229.12541	0.7
247.13393	1.5
247.17041	11.3
248.17467	0.9
251.12924	2.0
273.15082	1.2
275.12924	4.7
279.12402	6.6
289.14490	5.1
291.16074	4.2
293.13855	1.9
302.66260	0.9
311.99930	0.7
317.13934	27.7
318.14203	2.1
320.12750	1.4
335.15005	100.0
335.18246	4.3
336.15366	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	335.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
63.76766	0.3
69.49774	0.5
69.50179	2.3
71.01385	0.9
73.02959	4.8
79.95741	2.8
87.04520	1.1
95.95220	0.8
96.96015	100.0
119.01388	0.4
122.97579	0.4
125.02503	0.7
149.99576	1.6
150.49796	0.9
168.00592	0.3
169.01401	1.1
175.00323	0.7
175.14954	0.4
181.12341	4.9
182.12834	0.3
193.12354	0.6
205.43636	0.3
211.02432	0.4
211.13475	0.5
218.99342	0.4
237.15083	0.7
241.03529	1.0
255.16025	12.7
256.16367	1.5
273.11691	0.4
291.12817	0.4
299.99051	0.5
300.99799	1.0
301.99930	0.5
335.11710	61.1
336.12100	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03439	1.3
57.36433	1.0
58.00583	4.4
59.01383	70.6
71.01386	48.0
71.58538	1.3
72.01736	1.2
72.99297	5.6
73.02946	1.2
75.00860	1.1
79.95759	1.4
81.03475	1.3
83.01405	3.1
85.02960	13.0
87.00880	2.9
89.02452	43.7
95.01385	3.8
96.96007	5.2
99.00905	2.9
101.02454	32.7
111.08139	1.9
112.21552	1.2
113.02456	17.1
113.72146	1.1
116.19237	1.1
119.03515	24.7
120.99675	2.2
122.96049	1.0
125.02461	2.5
131.03464	1.5
137.06108	1.0
143.03474	1.8
145.74164	1.0
149.04538	1.6
151.07851	1.1
155.07150	4.7
161.04567	1.9
173.08215	5.3
175.03925	1.8
179.05609	3.1
203.03520	1.7
210.99135	1.1
215.78372	1.3
247.02544	1.7
296.03271	1.2
335.01923	4.3
335.13492	100.0
336.02640	1.3
336.14001	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	335.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
65.00330	0.3
67.01890	0.3
68.99821	0.6
71.01379	0.3
71.60780	0.3
71.61189	0.3
72.99306	0.3
76.01736	0.2
79.95748	0.6
83.01373	0.4
87.50455	0.2
96.96016	4.4
98.95605	1.3
110.00109	0.5
111.00883	2.2
119.01414	0.3
123.00877	0.3
124.01656	1.3
127.00369	0.9
136.98793	1.6
139.00391	2.1
140.01158	3.2
141.01634	0.3
147.00899	0.5
161.02338	0.3
168.00650	5.6
169.01054	0.3
183.02989	100.0
184.03322	4.7
248.09358	0.4
273.00311	0.4
299.90256	0.2
335.04031	0.7
335.11792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.3
63.43735	0.3
63.88855	0.3
69.03457	0.4
70.20482	0.6
70.20895	0.9
71.05020	0.4
73.02950	0.8
73.50385	0.3
75.12478	0.3
79.71318	0.3
79.95746	2.9
95.95248	1.4
96.96016	100.0
97.62303	0.3
97.95993	0.5
105.24965	0.3
108.29486	0.3
121.72588	0.3
122.32044	0.3
122.97560	0.7
167.03505	0.4
167.30179	0.3
195.13919	0.4
254.51443	0.3
255.16019	10.1
256.16406	0.6
273.11725	3.1
275.09604	1.9
335.11703	52.6
336.12057	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	333.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48478	0.5
65.00043	0.6
65.00332	7.7
67.81107	0.6
69.56139	3.5
69.56540	0.9
74.69126	0.5
79.01929	0.7
83.01398	0.8
89.00332	2.1
91.01887	1.5
95.01399	2.4
95.05033	0.7
97.02963	5.0
100.44621	0.5
107.01388	1.6
111.00863	0.6
116.99813	0.7
121.02958	2.3
123.00882	1.6
124.01686	8.3
125.02439	0.6
137.02461	10.2
137.06042	1.7
139.04024	9.2
147.04585	0.6
149.99615	1.6
151.00395	2.7
152.01180	4.4
161.06145	0.9
163.04030	1.6
165.01945	39.2
166.02484	2.4
177.01947	39.7
178.02275	2.0
183.03012	1.5
188.98210	0.6
191.03506	4.1
205.05057	6.3
212.22238	0.6
218.02498	0.6
219.06537	0.7
247.09663	0.9
261.11166	0.7
286.98395	0.8
289.25266	1.0
303.69791	0.6
314.97821	1.8
333.20718	100.0
334.21039	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	333.2438
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.01883	1.1
56.52298	0.7
59.01392	0.9
65.00332	3.3
67.01894	0.6
69.52271	5.3
76.24537	0.7
81.03463	16.0
83.01383	2.5
83.05012	1.4
93.03443	1.3
95.05033	4.0
97.06602	4.4
107.01388	3.7
107.05021	1.1
112.82660	0.6
116.78144	0.6
122.03779	0.9
123.53645	0.7
124.01663	1.1
125.02454	4.5
142.79495	0.7
147.85684	0.9
151.00380	5.1
152.01166	0.7
196.01466	0.7
199.69536	0.7
207.17610	0.8
235.20673	4.7
236.20992	0.8
247.20859	1.5
249.18552	3.0
286.98206	1.0
289.21793	15.9
289.25345	100.0
290.22369	1.0
290.25677	10.5
297.79626	0.7
314.97852	3.2
315.19528	0.9
333.20633	67.8
333.24371	53.4
334.20950	7.7
334.24734	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	333.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14887	0.2
51.92295	0.2
55.01876	0.9
57.03443	0.5
71.05020	0.3
73.02954	0.4
79.01894	3.3
83.01395	0.3
85.06593	4.6
91.05547	1.1
93.03465	0.3
95.05016	1.8
97.02959	2.1
98.20638	0.8
107.05036	0.7
109.02917	0.2
109.06594	6.9
109.07343	0.4
111.04519	7.5
121.30076	0.2
123.04541	0.4
135.04526	4.0
136.05273	1.1
149.06097	0.5
151.03999	1.3
151.07639	3.5
152.04805	0.5
152.09705	0.3
153.05580	26.6
154.05923	1.4
162.06882	1.1
163.07529	0.4
165.01915	0.4
179.03510	2.9
179.07098	0.7
180.04266	1.5
189.05571	0.7
190.06432	0.4
193.05061	0.5
195.06638	1.9
207.06627	1.9
208.07358	0.4
208.25995	0.2
221.15424	1.1
233.19150	1.3
287.20273	0.7
289.21744	11.6
290.22049	1.4
314.97754	0.7
315.19736	0.7
331.19196	0.6
333.20721	100.0
334.21051	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	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01383	0.4
63.02387	0.4
65.00330	5.0
65.46729	0.4
72.67329	0.4
79.19260	0.4
81.03463	19.8
82.03796	0.7
83.01393	3.8
95.05035	0.5
107.01405	4.5
107.05028	0.6
108.02180	0.6
121.02994	0.4
122.03769	0.6
124.01662	1.6
125.02465	6.9
134.03758	0.5
137.06133	0.4
148.05241	0.8
151.00375	9.1
152.01125	0.9
174.03244	0.5
175.07651	0.5
188.04817	0.9
207.17519	0.7
223.20644	0.6
247.20621	2.3
249.18620	3.8
250.18874	0.8
289.21750	20.8
289.25333	4.9
290.22076	2.6
290.25485	0.6
314.97845	1.6
315.19684	1.8
333.20721	100.0
333.23926	3.8
334.21051	10.7
334.24933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
65.00327	0.8
67.98795	0.3
69.13215	0.2
69.94362	0.3
71.60310	0.3
72.90167	0.3
74.14175	0.3
77.03985	0.9
79.01894	4.3
83.01394	0.5
89.47206	0.3
92.38004	0.3
93.03439	0.4
95.01401	0.9
95.04967	0.4
95.76501	0.3
97.02979	0.6
103.01889	1.5
105.03456	3.1
107.05051	0.6
108.45838	0.3
109.02962	0.8
111.04539	3.3
113.70618	0.3
119.05025	0.5
121.02955	1.1
123.00889	0.4
123.04534	0.7
124.01663	1.5
125.02436	0.3
133.06593	0.4
135.00932	0.6
135.04530	5.2
136.01665	1.9
137.02473	2.1
138.03229	7.9
139.04051	1.5
147.04507	0.4
149.02397	0.5
149.06032	0.5
150.03264	0.5
151.00378	1.0
151.04024	7.4
151.07622	0.4
152.01160	0.9
153.05585	8.2
157.06630	0.5
161.06111	0.3
163.00363	0.7
163.04034	0.9
164.01158	4.6
164.04773	0.5
165.01941	4.6
166.02725	5.4
170.02293	0.3
171.33618	0.3
173.06131	0.4
175.07607	0.5
177.02008	0.2
177.05556	0.9
178.02669	0.6
179.03503	29.6
180.04193	2.1
191.03506	30.5
192.03873	1.7
193.05078	0.5
197.04593	0.6
205.05057	3.2
206.05641	0.4
219.06602	4.3
233.08194	0.5
234.08832	0.3
247.09749	1.3
257.19083	0.4
261.11218	0.5
275.12988	0.3
289.21683	0.3
303.16217	0.4
314.97934	0.4
315.19412	0.5
317.17648	1.0
318.18314	0.8
333.20718	100.0
334.21045	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	333.2072
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
53.81283	0.3
57.03451	18.2
58.39714	0.3
59.01365	0.5
65.00328	17.9
66.00681	0.6
69.87276	2.0
79.05542	1.3
81.03458	3.6
83.01390	8.3
106.29253	0.3
123.04524	17.1
123.17937	0.3
124.04861	0.6
125.02451	100.0
126.02787	2.9
152.43437	0.4
179.09241	0.3
208.37802	0.4
213.48695	0.3
247.20605	1.3
252.08342	0.4
289.18927	0.4
289.21805	2.5
290.21976	0.5
291.19629	0.9
314.97696	1.2
333.20709	23.4
333.24203	1.6
334.21011	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58680	0.4
57.03446	1.2
57.99670	0.5
60.39788	0.4
65.00320	1.0
69.68770	3.4
69.69102	0.9
81.03465	16.4
83.01392	1.7
90.10176	0.6
95.05028	1.2
107.01386	0.9
116.44218	0.5
123.03716	0.7
123.04543	6.6
125.02467	6.4
135.04518	1.0
151.00360	2.1
162.03270	0.6
167.03490	1.7
179.03500	1.4
190.35730	0.5
247.20718	1.0
249.18573	3.4
289.21759	39.0
290.22250	3.5
295.19275	0.6
333.20740	100.0
334.21109	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88879	0.4
57.03452	0.9
63.02396	0.6
65.00329	3.9
69.76000	1.2
69.76407	2.2
72.15965	0.5
74.72434	0.4
81.03481	2.6
89.00362	1.3
91.01897	0.9
95.01388	0.7
95.05001	0.8
96.02184	0.9
97.02960	3.1
105.03492	1.3
119.05038	0.9
121.02954	1.5
121.06594	0.7
123.00916	0.7
124.01669	46.3
125.02003	1.4
127.11333	3.2
137.02490	4.0
137.06053	0.9
139.04022	100.0
140.04411	2.8
145.06619	1.2
146.03749	1.3
147.04512	1.0
149.13364	0.7
149.45279	0.5
149.99554	1.3
151.00310	0.7
152.01163	12.2
153.09247	0.9
159.04515	0.6
161.06105	2.7
163.04025	1.5
165.01950	11.6
166.02351	0.9
169.75221	0.5
173.02448	0.6
174.03133	0.9
177.01932	2.1
179.07164	0.5
180.81975	0.5
181.05084	4.3
187.04033	2.1
188.04779	3.0
189.05580	6.0
191.03508	1.7
203.07147	2.7
205.05067	7.2
227.11020	0.5
247.16919	0.5
301.14465	15.4
302.14807	1.0
314.97714	1.0
315.15933	2.9
333.17084	66.5
334.17413	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.42450	0.4
69.75774	2.3
75.88626	0.4
79.01892	8.4
80.02238	0.4
85.06600	3.6
86.64325	0.3
87.67324	0.4
91.05531	1.7
97.02961	1.8
107.05006	0.6
109.06601	5.2
111.04519	7.2
112.22445	0.4
123.04501	0.8
124.01717	0.4
135.04530	9.1
136.05264	0.5
137.02458	0.5
148.05254	0.4
151.04010	2.9
152.04776	1.7
153.05588	18.9
154.05901	0.6
155.16519	0.4
159.04521	0.4
161.06049	0.4
165.01976	0.5
168.64360	0.3
179.03513	12.8
180.04289	7.6
192.04150	0.4
197.04602	0.5
199.07657	0.4
205.05124	0.5
216.07994	0.5
221.15521	1.0
233.19135	1.9
287.20160	4.5
289.21768	4.9
290.22189	0.6
291.19724	0.6
304.94046	0.4
305.21213	1.4
315.19696	1.1
333.20728	100.0
334.21051	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	333.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
60.32314	0.7
61.67160	0.6
65.00333	12.4
65.00676	1.2
69.75105	4.6
81.03473	1.8
83.01399	1.0
89.00306	3.4
89.59363	0.7
91.01895	2.5
93.03457	1.1
95.01388	1.7
95.05028	1.4
97.02962	8.3
98.20630	0.8
119.05048	1.2
121.02953	5.1
123.00823	0.8
124.01667	23.1
125.02419	2.4
126.02792	1.2
129.21753	0.7
135.04497	0.9
137.02449	9.6
137.06046	1.4
139.04025	84.1
140.04382	3.3
149.02466	1.0
149.99603	3.7
151.00366	2.8
152.01187	5.6
153.05576	1.8
161.06042	0.8
163.03992	1.1
165.01939	40.1
166.02478	2.6
177.01941	21.2
178.02403	0.7
189.05629	0.8
191.03548	1.5
205.05061	8.2
206.05537	0.7
214.99878	1.1
217.15910	1.3
219.17450	1.0
221.08185	2.3
230.99194	0.7
242.99562	0.7
249.07666	1.6
283.63654	0.8
286.98349	2.2
314.97855	6.6
332.67520	0.7
333.17075	100.0
333.20428	3.7
334.17371	11.2
334.21042	1.0
338.15106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24717	0.2
57.03463	0.2
61.50203	0.2
63.02414	0.3
65.00330	10.5
66.00679	0.2
67.10495	0.2
71.12688	0.2
71.60606	0.2
81.03457	0.2
83.01390	0.4
85.06542	0.2
89.00330	2.6
91.01895	2.5
93.03469	0.8
95.01389	1.1
95.05050	0.3
96.02142	0.3
97.02959	7.2
98.03293	0.4
107.01393	0.8
108.02202	0.6
109.02975	0.5
111.04546	0.2
119.05060	0.3
121.02968	3.3
121.63996	0.2
122.03790	1.0
123.00889	1.1
123.04511	0.3
124.01669	20.9
125.02519	1.1
130.88416	0.2
135.00888	0.6
135.04539	0.5
137.02446	10.2
137.06073	0.9
138.02977	0.4
139.04021	30.4
140.04369	1.2
145.02943	0.5
146.58960	0.2
147.04520	0.7
149.02452	0.4
149.99594	3.1
150.03279	1.1
151.00368	2.5
151.04012	0.7
152.01164	18.9
153.01576	0.7
153.05508	0.3
161.02385	0.3
161.06137	0.3
163.00374	0.5
163.04033	2.2
164.01091	0.2
165.01936	42.2
166.02664	4.4
167.03439	0.5
174.03165	0.4
175.04015	0.8
177.01932	8.1
178.02394	0.4
179.03503	3.1
181.05075	4.9
182.05392	0.4
183.02954	0.8
185.09663	0.3
191.03519	6.1
192.04089	0.4
193.05058	1.3
199.07544	0.3
205.05023	1.7
207.06548	0.4
214.99942	0.3
219.06561	0.2
224.23457	0.3
229.08728	0.6
230.99428	0.3
231.06635	0.6
234.38429	0.2
242.99390	0.2
245.08183	3.1
246.08490	0.2
247.09711	0.4
261.11322	2.5
262.11676	0.4
275.09357	0.4
286.98306	0.6
301.14471	1.9
314.97818	2.1
315.16052	0.7
315.98346	0.4
333.17072	100.0
334.17413	12.7
352.98087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72932	0.4
57.03452	2.1
63.02398	0.6
65.00330	12.1
69.94698	1.9
71.05022	0.6
72.00178	0.4
76.47370	0.4
83.01379	1.5
85.02953	0.9
89.00335	2.8
91.01891	2.9
93.03452	1.2
95.01398	1.0
95.05024	2.8
97.02961	8.2
107.01393	0.8
108.02206	0.6
109.02921	0.5
113.09747	6.5
116.19001	0.4
117.03422	0.5
119.05008	1.5
120.00883	0.4
121.02956	5.2
123.00879	0.6
124.01675	10.2
125.02492	0.6
132.08493	0.4
135.04552	0.8
137.02458	8.7
137.06053	3.0
139.04021	23.6
139.11307	0.7
140.04372	0.7
143.05000	0.9
149.99588	4.0
151.00395	2.4
152.01106	2.5
161.02492	0.7
161.06055	1.7
163.00340	0.5
163.04025	2.3
163.07639	0.5
165.01938	45.6
166.02388	2.8
175.04004	1.0
176.04764	1.1
177.01945	15.8
177.05605	1.0
178.02361	0.9
179.03481	0.7
181.05101	5.8
183.02977	1.4
189.05627	0.5
191.03514	1.6
192.04318	1.0
204.04289	1.1
205.05069	17.5
206.05428	0.9
207.06641	19.3
208.06972	0.7
219.06630	14.3
220.06979	1.1
222.73405	0.4
286.98328	0.5
290.46487	0.4
314.97989	2.9
315.15985	1.2
333.17081	100.0
334.17404	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	333.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01384	0.6
61.85130	0.4
63.02402	1.2
65.00333	8.5
69.03447	0.4
69.72039	2.1
70.74840	0.3
71.05018	0.5
72.59250	0.4
74.98408	0.3
79.01903	0.5
83.01392	0.7
85.02939	0.6
89.00335	1.6
91.01894	2.3
93.03468	1.4
95.01399	2.0
95.05021	1.4
97.02966	6.7
98.19872	0.7
99.08157	1.7
100.63335	0.5
105.03461	0.4
107.01393	0.7
108.02186	0.8
109.02962	0.5
111.00887	0.5
111.04559	0.4
121.02956	3.3
122.03674	0.5
123.00887	1.4
123.04539	0.9
124.01676	18.5
125.02435	1.1
127.11395	0.4
133.02963	0.5
135.00880	0.6
135.04517	0.8
137.02469	8.0
137.06081	2.0
139.04025	42.0
140.04361	1.7
149.99611	2.5
151.00410	2.9
151.04030	0.6
152.01163	7.4
152.13928	0.4
153.05626	0.5
159.00900	0.8
161.02454	0.9
161.06059	0.7
163.04004	1.2
165.01949	30.9
166.02672	3.7
167.03476	1.6
171.37634	0.4
173.06136	0.4
173.09740	0.8
175.40865	0.4
177.01950	21.2
178.02316	1.2
179.03520	7.6
180.04208	0.7
181.05090	12.7
182.05289	0.5
183.02994	0.9
187.00354	0.7
187.04056	0.5
191.03587	2.4
193.05099	1.0
205.01343	0.5
205.05080	3.1
214.99852	1.1
217.08774	0.9
219.06590	3.1
230.99402	1.4
233.08191	8.1
234.08691	0.5
242.99484	0.5
247.09801	0.4
261.00449	1.0
286.98245	2.8
301.14435	1.3
314.97821	9.9
315.16031	0.8
315.98169	1.2
332.98862	1.4
333.17096	100.0
334.17468	12.2
334.21078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03446	1.7
59.01370	0.8
65.00324	0.7
70.17438	0.6
70.17822	0.7
71.05035	3.0
73.62979	0.3
77.03976	0.8
79.01907	4.8
79.61251	0.3
80.02682	0.5
81.03479	1.1
83.01408	0.9
91.05546	0.3
93.03501	0.6
94.04909	0.3
95.01422	0.3
95.05038	6.8
97.02965	3.3
97.06580	0.4
107.05035	0.7
109.02975	1.3
111.00905	0.5
111.04550	0.3
119.05015	0.4
121.02964	3.9
121.06609	1.2
121.10236	0.9
122.03790	2.3
123.00922	0.4
123.04506	0.9
124.01645	0.6
125.02463	2.9
135.04559	0.5
136.01628	0.4
136.05301	0.7
137.02431	1.0
137.05083	0.6
137.06099	7.4
137.09789	0.3
138.03273	1.5
138.06416	0.4
139.00392	0.3
139.04027	16.9
140.04379	0.7
145.06479	0.3
147.04591	0.5
149.02472	0.6
149.06096	0.6
151.03987	1.6
159.00914	0.6
163.04073	0.6
163.07669	3.0
165.01945	11.7
166.02724	4.5
167.03505	0.8
170.02303	0.3
173.06047	0.4
175.11255	0.7
177.01866	0.4
178.06282	0.4
179.03522	1.3
180.04298	4.0
181.05038	1.1
187.00389	0.4
191.03532	3.6
191.14403	0.4
193.05084	3.6
194.05586	0.5
198.01630	0.6
202.99971	0.4
205.05052	0.5
206.05820	2.5
207.06645	0.6
214.99841	1.1
217.12314	0.9
221.08260	0.8
222.09140	0.5
230.99397	0.7
231.99599	0.3
233.00943	0.5
233.15514	1.2
242.99530	0.3
243.10204	0.8
259.16882	0.6
261.00601	0.4
261.11340	2.5
276.13712	0.4
277.14410	0.9
286.98462	1.8
287.98853	0.5
289.18130	1.3
290.17825	0.3
291.12463	0.4
314.97806	6.6
315.15948	1.1
315.98187	0.7
332.98904	0.8
333.17093	100.0
334.14044	0.4
334.17447	11.6
334.21240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	GroPIns
Peak:m/z	Relative Intensity
70.20795	2.1
70.90109	0.5
78.46928	0.4
78.95911	100.0
96.95998	1.2
96.96967	18.1
99.83897	0.4
100.89901	0.5
106.96815	0.5
111.12530	0.5
144.55588	0.4
146.85330	0.6
146.86632	0.5
150.98051	1.0
152.99597	74.6
153.99942	1.8
157.18770	0.4
171.00655	10.3
172.00966	0.6
223.00174	0.8
241.01204	39.1
242.01558	1.8
259.02176	2.4
296.84232	0.6
317.55618	0.5
325.75238	0.5
333.05939	95.9
334.06265	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31784	0.3
59.01369	0.4
69.82035	1.7
79.95732	2.7
80.96514	0.7
95.95252	0.8
96.96014	12.2
120.99647	0.9
131.01395	0.3
132.45735	0.3
133.02934	0.5
147.00899	0.3
151.00557	0.3
153.05573	0.5
159.00917	1.5
159.85474	0.3
161.02414	0.9
162.02414	0.3
177.01910	0.7
187.00362	1.0
189.01927	0.7
194.09482	5.8
202.99873	0.6
205.01518	0.7
206.96304	0.3
209.11838	3.9
210.12093	0.3
214.99907	2.6
217.01384	0.3
230.99330	2.5
231.99467	0.3
233.00937	0.6
242.99352	0.9
253.10751	3.5
261.00375	2.4
286.98309	4.8
288.99884	1.1
314.97836	15.4
315.12610	0.7
315.98224	1.8
332.98666	1.8
333.06601	5.5
333.13773	100.0
334.07272	0.3
334.14078	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	331.2279
Annotation	(-)-7-Hydroxycannabichromane
Peak:m/z	Relative Intensity
55.01881	1.3
57.03442	2.1
59.01384	0.9
61.44181	0.6
65.00333	1.5
69.03445	1.0
70.17508	1.4
70.17905	1.7
80.02665	0.7
81.03458	5.9
83.05030	2.9
85.02969	0.8
93.03442	1.6
95.05042	5.2
97.06603	5.7
107.05038	1.4
109.06609	1.8
111.08181	2.0
123.04492	4.0
123.08162	1.5
125.02426	4.2
134.07544	0.7
137.09723	1.2
137.92606	0.8
151.00327	1.2
162.70134	0.7
166.02798	1.1
167.03488	0.8
177.16473	1.1
179.03514	0.9
181.49310	0.8
230.99258	1.4
231.17609	1.4
233.19081	11.2
234.19464	0.8
269.22711	4.2
285.22208	1.0
286.98285	1.7
287.20285	6.9
287.23785	100.0
288.24130	11.6
330.97211	2.0
331.19080	32.6
331.22778	91.0
332.19427	4.9
332.23132	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	331.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.3
59.42525	0.4
60.01725	0.6
61.98838	100.0
64.47720	0.4
69.37523	2.4
69.37950	1.4
79.01391	0.4
84.42894	0.4
92.95104	0.5
117.78266	0.4
147.96983	0.7
159.01505	2.3
160.01656	2.1
161.01228	2.8
161.98956	4.3
162.01584	0.6
162.95735	0.5
169.95731	0.4
169.97160	0.5
171.97437	2.3
187.01044	0.9
188.00635	4.3
189.00711	4.5
189.98473	43.1
190.00291	2.8
190.96535	0.4
190.98512	3.8
198.22464	0.5
201.02583	5.2
202.02898	0.7
203.02289	0.7
204.00046	8.0
215.07892	0.5
331.99612	0.9
332.98444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	5-Dehydrosinularolide
Peak:m/z	Relative Intensity
53.65273	0.3
57.03452	3.1
58.65658	0.3
59.01380	0.9
65.00332	2.1
69.64443	1.5
70.98493	0.2
73.68447	0.2
81.03462	25.2
82.03807	0.5
83.01387	3.3
83.05025	1.1
83.71917	0.2
93.03450	0.3
95.01380	0.3
95.05034	1.6
97.03031	0.3
107.01391	1.5
109.06586	0.9
122.03745	0.8
123.04530	5.2
123.05370	0.5
124.01707	0.6
125.02452	7.7
127.09608	0.2
129.58299	0.3
135.04530	1.4
151.00371	3.3
152.01102	0.3
159.58971	0.3
162.03229	0.4
166.02676	0.6
167.03477	1.7
179.03479	1.3
203.14412	0.3
205.15968	4.7
227.17860	0.3
245.19160	1.1
247.17082	1.8
287.20172	20.5
288.20602	2.0
313.18112	0.8
331.19156	100.0
332.19501	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25183	0.4
70.35966	2.1
74.37781	0.5
75.94976	0.5
79.05537	2.1
79.51091	0.5
81.03463	19.2
82.03809	0.7
87.48584	0.5
93.03445	1.2
95.01396	0.9
108.02175	2.2
109.02966	0.8
122.03751	20.6
123.00895	1.1
123.04545	30.4
124.04854	1.5
125.02461	3.4
131.01378	0.6
135.04543	1.9
137.02446	2.4
144.42062	0.5
147.04547	0.8
153.01939	1.5
154.02713	0.7
161.06055	3.5
175.07689	0.6
214.99817	0.6
230.99377	1.8
236.77182	0.7
243.21156	1.4
245.19060	5.2
286.98239	1.0
287.20184	40.5
288.20529	4.3
330.97379	1.6
331.19150	100.0
332.19543	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	331.1552
Annotation	Asperfuranone
Peak:m/z	Relative Intensity
57.03444	1.7
63.02399	1.5
65.00330	15.6
69.74338	3.3
69.74740	1.6
72.79104	0.8
80.02682	2.9
81.03443	1.2
83.01370	1.2
83.05029	1.0
88.04210	0.9
89.00329	3.4
91.01910	4.0
95.01415	1.8
95.05058	4.7
97.02952	8.9
105.03458	2.1
111.08168	14.8
119.05025	1.8
121.02950	6.4
122.03757	1.6
123.00878	1.1
123.04526	1.2
124.01674	25.4
125.02374	0.8
131.05028	2.1
135.04532	2.1
137.02451	9.3
137.06081	6.6
139.04018	72.8
140.04332	3.0
143.05077	1.3
149.99576	3.4
151.00400	4.3
152.01137	1.3
161.02481	1.9
163.04016	2.8
163.07608	1.2
165.01935	36.8
166.02658	5.2
175.00296	1.1
175.03983	4.2
176.04800	4.5
177.01939	17.7
177.05345	1.1
178.02336	1.6
181.05072	100.0
182.05389	4.8
191.03444	1.8
192.04308	1.8
203.03493	1.6
204.04280	3.7
205.05063	15.0
206.05388	1.1
207.06627	41.8
208.06902	2.1
219.06621	27.7
220.06882	2.0
230.99374	2.4
270.51797	1.0
273.18549	3.3
313.14362	1.6
313.21881	1.8
330.97165	2.7
331.15524	74.5
331.22482	13.1
332.15775	8.6
332.28479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00433	0.6
58.99598	1.4
59.01389	5.1
61.41383	0.6
68.08044	0.6
69.46381	3.4
69.46799	1.8
70.24886	0.6
71.01385	8.4
73.02942	2.6
74.05420	0.7
78.90216	0.6
79.95750	0.9
83.01373	1.3
85.02964	3.5
87.00878	21.2
89.02439	2.3
95.01387	1.0
96.96014	2.5
97.06617	1.4
101.02446	4.6
102.98599	6.1
108.52878	0.9
113.02447	3.0
117.88940	0.6
120.99661	52.6
121.02974	1.0
123.00903	0.8
125.02454	2.2
145.10237	0.8
147.11821	7.0
153.90067	0.6
161.04541	2.4
163.11253	0.7
165.02013	1.2
165.12801	1.1
168.00629	1.1
169.01424	3.4
171.55711	0.6
184.55873	0.7
187.00394	1.1
209.11839	27.8
210.12167	1.9
211.02512	4.3
225.09573	1.5
230.99330	1.9
243.10599	31.4
244.11008	1.8
271.04590	5.9
315.98605	2.2
330.97171	2.1
331.12213	100.0
332.12512	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	331.1553
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
57.03455	7.9
59.01374	1.4
63.02446	0.5
65.00323	1.8
68.99844	0.8
69.03460	2.2
69.49441	3.9
72.00182	0.5
80.02635	0.5
81.03464	15.7
82.03806	0.9
83.01394	3.6
83.05028	1.9
83.36211	0.5
93.03450	1.0
95.01413	0.8
95.05025	1.3
97.06589	1.1
98.20603	0.7
106.04259	1.1
107.01384	0.7
107.05033	1.4
109.06599	0.6
112.94580	0.5
121.06603	0.6
122.03764	1.1
124.01679	0.9
125.02455	46.7
126.02779	1.9
128.64714	0.5
132.05841	1.1
135.04521	1.1
135.08333	0.6
139.04004	2.4
149.06146	0.8
151.00351	2.1
151.86095	0.5
152.01193	1.0
165.01962	2.4
166.02658	0.9
177.12819	0.7
179.03464	1.1
189.12823	0.9
196.35724	0.6
203.10822	1.6
203.14424	2.2
205.12279	1.4
209.46623	0.5
217.15974	1.8
219.13864	1.4
221.15474	1.2
227.14510	0.8
230.99388	0.7
243.13770	0.7
245.15462	6.8
246.15761	0.6
247.13350	0.8
259.17047	2.2
263.16599	0.7
269.15649	1.3
287.16562	3.8
288.16916	0.6
303.16074	1.1
331.15518	100.0
332.15863	11.5
336.27036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01891	0.4
55.14402	0.5
55.37039	0.4
56.71118	0.4
58.00593	0.5
59.01378	7.0
67.01868	0.5
69.03457	0.5
69.61831	0.6
69.62243	1.8
71.01377	3.8
72.99322	1.4
73.02955	0.6
79.01905	0.4
83.01406	0.7
85.02963	0.5
89.02438	1.8
92.24950	0.3
95.01426	0.6
96.95995	0.5
96.99324	0.4
98.20657	0.6
101.02448	1.0
107.01405	4.4
110.00121	0.4
111.00884	2.4
113.02422	0.5
114.77432	0.4
123.00888	2.0
124.01638	2.6
125.02447	26.2
126.02778	0.8
127.00358	1.0
136.98837	1.6
137.02512	0.5
139.00375	3.2
139.04016	1.1
140.01172	4.2
141.01952	0.4
149.02379	0.4
151.00360	1.6
152.07185	0.4
153.01939	0.5
154.02734	0.6
155.03502	0.7
165.01962	1.2
167.03485	1.4
168.00648	14.0
169.01428	33.6
169.05115	1.2
170.01727	2.0
183.02939	0.5
193.01418	0.5
194.42619	0.5
207.34018	0.4
211.02475	59.8
212.02855	3.1
226.79242	0.4
241.03502	1.7
271.04584	100.0
272.04950	6.5
314.92719	0.4
326.99048	0.4
331.06830	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	331.1035
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
50.75226	0.4
57.03454	0.4
59.01372	1.2
68.07119	0.4
69.81174	2.5
71.01391	2.6
82.00619	0.5
83.01377	0.5
85.02964	2.3
89.02465	0.5
91.60278	0.4
98.19969	0.9
101.02419	1.1
101.15412	0.4
108.02211	0.5
109.02964	0.5
110.00109	7.2
111.00912	0.5
113.02447	2.1
119.43463	0.4
123.00899	1.1
124.01694	1.1
125.02454	9.5
127.00480	0.5
134.78191	0.5
136.99135	0.5
137.99593	9.0
139.00386	2.6
140.01183	1.0
151.00346	1.4
151.03993	0.6
152.01213	2.9
153.01945	100.0
154.02486	5.1
155.03481	1.8
161.04593	0.8
166.02692	0.8
167.03494	10.2
168.00638	1.8
168.04289	50.0
169.01453	5.8
169.05042	9.2
179.03539	0.5
191.03520	1.6
194.02243	0.5
196.03917	0.5
209.04532	1.1
211.02473	5.1
211.05930	0.6
223.08908	0.4
226.11040	0.4
228.56007	0.4
243.03076	0.5
271.04614	8.8
299.07886	0.5
331.06619	1.1
331.10312	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	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00620	0.9
59.01383	26.4
61.64452	0.6
67.01882	1.3
71.01389	12.1
71.36045	0.8
71.36362	0.8
71.56111	0.6
72.99310	1.4
79.01903	1.5
83.01410	1.1
85.02952	2.8
89.02446	8.7
93.79204	0.6
95.01398	2.5
97.02958	1.0
101.02451	5.9
107.01405	4.6
110.02469	0.7
111.00871	1.0
113.02480	3.6
119.03508	2.3
123.00891	20.2
124.01681	1.1
125.02451	35.6
126.02785	1.2
128.02687	0.6
137.02475	0.7
139.00377	5.1
139.04050	0.8
139.76817	0.6
140.01161	1.8
141.01949	2.8
151.00369	18.2
152.00729	0.7
153.01959	1.4
167.03464	1.5
168.00641	4.3
169.01434	68.0
170.01787	2.7
183.03008	0.8
193.01404	1.9
211.02480	13.9
212.02730	0.6
238.84579	0.7
241.03502	1.5
271.04605	14.9
272.04904	1.3
331.06708	100.0
332.07104	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	331.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00235	0.4
58.46399	0.4
59.01367	0.7
65.00314	0.9
71.01354	0.6
71.10456	0.4
71.37180	0.6
74.99078	0.8
78.37635	0.4
85.02924	0.5
88.17526	0.4
96.95990	1.5
98.96857	0.4
103.05505	0.7
112.36076	0.4
115.05544	0.7
119.05006	1.9
121.06548	0.4
125.02443	0.9
130.08743	0.9
131.05048	3.5
132.88174	0.4
133.28328	0.6
143.05005	1.5
145.02934	0.7
147.04506	3.5
157.02922	1.0
158.03748	0.9
159.04509	7.8
160.01622	0.6
168.00641	0.5
169.01413	1.8
169.02861	0.7
171.04504	1.5
172.01639	0.5
173.02348	0.6
174.03174	0.8
175.04005	7.2
177.01923	0.8
177.05560	0.6
185.02435	2.6
186.03181	0.5
187.04005	6.7
188.01132	0.5
189.01910	0.8
193.05042	0.9
197.02347	0.6
202.02724	1.5
203.03500	25.4
204.03841	1.6
211.02455	2.3
213.01921	3.5
214.02660	1.0
215.03499	3.1
216.00558	2.2
217.01175	0.5
230.02118	1.5
231.02997	19.6
232.03320	0.9
241.01563	2.5
242.02141	1.7
243.02954	2.8
243.06827	0.7
244.00148	2.1
250.53108	0.5
251.05637	0.6
258.01678	2.6
259.02451	28.8
260.02756	1.9
269.01050	1.2
271.04608	3.9
275.01944	0.8
287.01974	100.0
288.02344	8.2
303.01468	0.8
331.00958	21.3
331.18552	0.5
332.01349	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	330.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38952	1.0
57.03447	1.3
58.00586	4.5
59.01384	100.0
60.75161	1.0
61.98812	1.3
67.25597	1.0
69.03448	1.3
69.47240	5.9
69.47646	2.5
71.01387	56.4
72.99309	7.2
73.02925	2.5
75.00872	1.5
75.79549	1.0
79.95728	2.8
82.40407	1.1
83.01381	3.1
85.02959	9.4
87.00864	3.2
88.40170	1.2
89.02451	56.1
90.84258	0.9
95.01389	4.4
96.96015	6.5
97.02972	1.4
98.19881	2.2
101.02456	28.8
107.01381	1.9
109.02983	1.8
111.00853	2.1
111.02010	1.9
113.02460	23.8
119.03519	25.4
121.02982	1.5
122.03736	2.6
123.00891	1.6
124.01630	1.8
125.02458	17.4
125.03370	1.1
125.04388	1.4
131.03532	2.2
132.04626	1.1
136.98851	1.9
138.01988	7.5
139.00351	1.9
139.04018	4.3
140.01120	3.3
140.04338	2.2
143.03482	3.6
151.02777	3.0
152.03551	23.0
161.04546	3.9
166.01433	10.2
167.03557	7.4
168.00642	7.7
168.02992	72.2
169.01448	21.8
169.03079	2.5
175.03987	4.1
175.43178	1.0
179.05588	4.8
180.03094	1.3
187.03928	2.0
192.02997	3.9
197.05830	1.7
200.04787	1.5
203.03479	1.6
204.04272	2.7
205.04575	4.5
210.04108	14.6
211.02498	29.4
211.04248	1.4
213.05794	1.3
214.02829	1.4
215.03445	4.4
220.07022	2.5
222.04120	7.9
227.03455	1.4
228.04282	1.2
229.04996	2.5
231.03226	1.2
240.04927	3.7
243.02931	5.6
243.06850	1.6
255.02942	1.7
258.05307	2.6
259.02347	1.2
270.06219	4.2
271.01801	2.5
271.04605	50.1
273.07520	1.6
274.31238	1.1
286.04807	1.5
286.10867	2.0
287.01913	4.7
301.07166	18.5
316.09525	13.5
330.03909	4.7
330.08270	76.2
331.00958	2.4
331.08484	5.2
331.11945	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	329.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00936	1.2
57.03448	2.4
69.64579	8.0
81.03447	5.1
83.05008	2.6
84.78089	1.3
95.05045	5.9
97.06593	8.8
109.06572	2.0
111.08141	3.6
123.08156	2.1
125.02357	1.5
129.69250	1.1
137.09727	2.5
147.08153	1.3
163.11249	1.4
177.12831	1.5
201.12984	1.3
207.45634	1.2
231.17529	9.3
267.21295	6.0
283.20743	1.6
285.19064	2.4
285.22232	80.8
286.22574	8.4
329.17517	14.7
329.21167	100.0
330.17822	1.9
330.21457	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03438	1.0
59.01371	1.4
61.50933	0.4
69.03472	0.4
70.57599	1.2
70.85419	0.4
71.64333	0.4
83.05020	0.8
85.02949	0.5
97.06609	0.5
99.08163	7.4
101.06190	0.4
115.02920	0.4
118.03751	0.4
125.09724	1.7
127.11291	4.2
139.11299	7.2
141.57663	0.4
153.09254	0.5
155.10800	0.5
155.14400	0.6
157.12381	0.9
165.12875	0.6
167.10788	0.5
167.14420	1.9
171.10280	16.8
172.10620	0.7
183.13908	5.7
193.12337	1.7
201.11288	0.5
209.11844	1.3
211.13408	30.4
212.13748	1.4
223.10118	0.5
225.89680	0.4
229.14456	15.5
230.14798	1.1
234.41203	0.4
269.17700	0.4
293.21277	1.0
311.22354	1.0
326.27231	0.4
329.23343	100.0
330.23676	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	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
69.42390	6.5
79.05530	1.6
81.03458	21.0
81.03921	1.3
83.01399	0.9
87.98423	0.8
93.03471	1.1
95.01413	1.3
97.02969	1.3
108.02157	1.9
109.02964	1.0
119.61102	0.8
122.03745	23.5
123.00881	1.3
123.04534	34.7
125.02463	3.6
135.04539	5.3
136.68611	0.7
137.02464	2.2
147.04543	1.1
151.00407	1.0
153.01852	1.1
154.02702	1.0
161.06094	3.1
175.07582	1.0
243.17574	2.7
285.15448	1.5
285.18625	29.5
286.18881	2.7
320.53976	0.8
329.17587	100.0
330.17966	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	329.2123
Annotation	17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
50.25668	0.7
50.65980	0.7
55.01893	1.4
57.03451	3.7
69.03466	0.9
69.72732	4.4
71.11440	0.7
81.03465	6.8
83.05041	3.8
93.03426	1.2
95.05058	5.3
97.06595	8.8
109.06580	2.0
111.08144	3.0
114.85374	0.7
121.06627	1.1
121.10242	1.5
123.08163	2.9
125.02457	1.9
131.15132	0.9
133.10269	0.8
135.08144	0.9
135.11836	1.3
137.09706	3.8
141.75386	0.7
147.08089	1.0
147.11697	1.1
149.09679	0.9
149.13367	1.8
151.11278	1.4
161.13359	1.3
163.14952	1.8
175.14899	1.8
177.12915	1.9
187.11363	0.9
189.12825	1.3
191.14430	1.3
193.89059	0.8
215.18015	0.9
223.75574	0.8
227.14424	1.4
231.17538	8.1
232.17975	1.1
257.19330	0.9
267.21194	6.7
268.21619	1.2
285.18732	4.9
285.22238	84.8
286.22620	10.2
329.17502	22.5
329.21198	100.0
330.17999	1.7
330.21558	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	329.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	18.0
57.07170	0.2
58.03788	0.3
59.01373	0.3
64.50276	0.2
65.00332	16.8
66.00668	0.4
66.87204	0.2
69.78146	1.4
70.13268	0.3
78.77175	0.2
79.05550	0.7
81.03467	3.3
83.01395	7.5
86.44004	0.2
99.94024	0.2
116.88120	0.2
123.04537	9.7
123.08187	0.3
124.04881	0.5
125.02458	100.0
126.02795	3.4
135.04543	0.7
149.13354	0.4
152.16447	0.2
201.16547	0.3
203.14432	0.4
243.17570	0.8
265.03278	0.2
285.18570	2.5
287.16553	0.6
329.17612	14.5
329.26733	0.5
330.17929	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	329.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71349	0.4
57.03451	18.0
65.00327	14.1
69.65641	2.1
70.82009	0.3
71.04996	0.4
79.05529	0.9
81.03458	3.6
82.13527	0.4
83.01389	7.6
83.05038	0.4
98.20665	0.6
116.79966	0.4
123.04526	11.8
125.02454	100.0
126.02796	3.5
132.40651	0.4
135.04559	0.7
153.24466	0.4
154.52902	0.4
161.50021	0.4
243.17554	0.5
285.18530	3.0
287.16568	0.8
329.17596	17.7
329.21048	0.7
330.17941	2.0
345.55402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
57.83292	0.5
59.01368	1.1
65.00325	0.7
69.49667	4.1
78.95890	0.7
79.05551	1.7
81.03464	23.5
82.03810	0.7
83.01418	0.8
84.46339	0.6
93.03465	1.6
93.14545	0.6
95.01378	1.6
98.20607	0.9
108.02180	1.9
109.02951	1.4
122.03754	24.5
123.00884	0.6
123.04546	34.5
124.04853	1.8
125.02469	5.7
133.91568	0.6
135.04523	5.8
136.01630	0.6
136.05237	0.7
137.02458	2.0
147.04530	0.9
154.02698	0.7
161.06113	3.9
167.59087	0.6
175.07623	1.5
175.54211	0.6
192.79289	0.6
241.19576	0.8
243.17543	3.2
259.72202	0.6
285.18631	26.6
286.18878	3.8
329.17606	100.0
330.17920	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	329.1065
Annotation	4-Gingesulfonic acid
Peak:m/z	Relative Intensity
50.21417	0.2
55.59569	0.2
59.01382	1.2
61.98822	0.4
63.36628	0.2
63.49927	0.2
64.40702	0.2
70.87131	0.3
71.01382	0.2
71.61169	0.3
72.23066	0.2
77.62873	0.2
79.95742	3.7
83.05022	0.5
95.95236	0.5
96.96019	100.0
97.06604	0.4
97.96001	0.3
98.95625	0.3
109.02956	0.2
111.01968	0.3
121.02924	0.2
123.00854	0.3
124.62064	0.2
125.02458	0.4
134.91602	1.7
151.07658	0.3
169.01442	0.3
185.06024	0.3
205.05394	0.4
249.15009	1.8
279.20059	0.3
285.11743	0.2
298.98578	0.3
314.00711	0.3
329.10641	57.9
330.06995	0.3
330.10959	4.9
330.14801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.59752	0.4
57.03459	2.8
59.01375	1.4
65.00323	2.0
69.68082	2.3
69.68451	0.4
81.03462	23.3
82.03799	0.8
83.01384	3.5
83.05032	2.3
95.05020	1.4
107.01405	1.6
109.06583	0.5
122.03650	0.6
123.04527	5.3
123.08150	0.8
124.01661	0.7
125.02460	8.4
132.33026	0.4
135.04550	1.3
135.08107	0.6
137.06064	0.6
146.34750	0.4
151.00426	2.4
152.01131	1.1
162.03198	0.7
166.02684	0.5
167.03461	2.2
175.11284	0.4
179.03511	2.3
203.14432	1.9
225.16512	0.4
238.44502	0.4
241.22537	0.4
243.17633	0.6
245.15425	1.7
269.89447	0.5
285.18610	15.2
286.18951	1.6
311.16556	0.7
329.17575	100.0
330.17908	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	329.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68171	0.4
57.03455	2.2
57.77512	0.4
58.25699	0.4
59.01370	0.8
63.02347	0.3
65.00320	1.5
67.35687	0.4
67.65427	0.4
69.03432	0.5
69.64905	1.7
69.65337	1.2
81.03462	19.2
83.01392	3.5
83.05018	2.2
95.05000	1.2
107.01387	1.1
112.56371	0.4
122.03784	0.7
123.04539	4.4
123.08147	0.5
125.02457	7.7
128.20413	0.4
135.04529	0.7
138.58340	0.4
138.87012	0.4
151.00362	2.4
152.01106	0.7
162.03299	0.7
166.02689	0.6
167.03490	1.7
179.03497	1.5
203.14394	2.1
207.22153	0.4
243.17583	0.5
245.15616	0.9
285.18610	13.2
286.18982	1.7
289.67838	0.5
311.16605	0.9
329.17581	100.0
330.17969	7.6
351.61951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01370	0.8
65.00322	0.6
66.49986	0.3
68.98026	0.4
69.35089	2.3
69.35506	0.8
71.16225	0.3
76.47711	0.3
81.03458	4.5
83.01379	2.5
95.05025	1.1
106.66215	0.3
107.01365	0.9
123.04531	29.7
124.04839	1.0
125.02446	5.7
126.02804	0.3
138.76746	0.3
149.02455	0.8
151.00340	1.5
163.03983	0.5
167.03500	100.0
168.03828	4.1
191.03528	0.4
209.04552	1.0
260.51266	0.3
265.93689	0.3
329.03351	0.4
329.09000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03446	0.8
59.01379	2.2
59.82774	0.3
63.02399	0.4
67.01923	0.4
69.03442	0.4
70.74297	0.6
70.74635	0.7
71.01380	1.0
81.03471	4.2
82.31879	0.4
83.01394	2.3
85.02961	0.5
93.03449	1.0
95.01395	0.9
95.04990	0.9
96.96004	0.7
97.02969	1.0
98.20542	0.5
99.04502	0.5
107.01394	0.7
108.05370	0.4
110.02486	0.6
121.02927	0.9
123.00919	0.6
123.04531	37.1
124.04837	1.6
125.02460	6.3
127.65909	0.4
135.00957	0.5
135.04463	0.6
137.02444	1.6
139.04062	1.0
149.02452	1.7
151.00394	1.4
151.04007	1.3
154.03819	0.3
155.73900	0.4
156.89713	0.4
163.04018	1.0
166.02768	0.9
167.03505	100.0
168.03850	5.0
169.01433	1.4
172.42189	0.4
175.00377	1.2
177.04102	1.0
179.03548	1.0
180.04297	0.4
181.05069	3.3
184.10439	0.4
191.03513	26.8
192.03874	1.4
209.04547	10.0
210.04958	0.7
221.04503	3.0
233.04474	0.5
241.09094	0.7
258.06519	0.7
267.07565	0.5
269.06665	0.7
273.08829	1.3
299.10223	0.5
328.99356	0.4
329.08212	4.0
329.11612	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03453	0.7
59.01383	0.9
63.99979	0.2
65.00334	0.8
67.01897	0.3
70.18468	1.1
70.18832	0.3
71.07758	0.3
72.98165	0.2
81.03467	4.9
83.01398	2.6
88.67023	0.2
95.05018	0.7
99.04576	0.3
107.01398	0.8
108.50527	0.3
115.54821	0.2
115.69041	0.2
119.05080	0.3
123.04533	31.6
124.04848	1.3
125.02456	6.0
139.04022	0.6
149.02454	1.0
151.00369	1.6
163.04021	0.5
165.02057	0.2
166.02760	0.5
167.03506	100.0
168.03847	4.3
191.03548	0.5
204.04335	0.4
209.04546	1.0
270.38608	0.2
285.81589	0.2
306.61859	0.2
314.81870	0.3
322.63147	0.3
329.03055	0.3
329.08929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03458	1.0
57.14753	0.6
59.01392	4.5
65.00355	0.8
67.01891	1.2
68.99792	0.8
69.78982	2.9
71.01376	1.8
72.99322	0.7
73.02952	0.7
73.59238	0.6
74.99088	0.6
79.63725	0.8
79.95743	0.8
81.03470	8.2
83.01376	5.1
93.03466	1.6
95.01378	1.2
95.05032	14.3
96.95998	2.1
97.02952	3.6
99.00809	0.7
99.04532	3.0
101.02406	0.9
108.02140	1.2
109.02972	1.1
113.02455	0.9
115.61051	0.7
121.02973	0.9
121.06549	0.7
122.03739	2.7
123.00836	0.8
123.04532	22.9
125.02461	17.1
135.00919	0.7
135.04517	1.0
137.02473	2.3
137.06094	15.9
138.06384	0.8
139.04074	3.4
141.05556	0.8
146.09262	0.7
149.02402	0.9
149.06093	1.1
151.00398	1.6
151.03990	1.2
152.01161	0.8
163.03915	1.0
165.05550	3.7
166.06267	0.7
167.03508	47.3
167.07170	1.3
168.03853	2.9
169.01398	2.4
178.06267	1.3
179.03476	7.9
179.61703	0.7
180.04240	0.8
181.05046	2.3
191.03442	0.9
191.32755	0.6
193.01199	0.7
193.05058	2.9
193.08693	2.1
197.04552	2.1
204.04318	1.8
206.02289	1.0
209.04555	100.0
210.04811	4.8
219.06529	0.9
221.04504	3.9
239.05621	22.8
240.06030	1.4
247.12453	0.7
249.07959	3.5
329.03320	2.1
329.08939	10.0
329.12402	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	329.0306
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
59.01381	3.7
61.37133	0.5
62.49308	0.5
69.66871	3.4
75.21678	0.6
79.95735	1.1
84.54541	0.6
95.01395	1.1
96.96018	26.7
97.06541	0.6
121.02949	0.8
123.00875	0.7
125.02473	0.9
151.00392	1.0
172.01613	0.5
174.03188	1.2
181.04985	0.6
182.08394	0.5
200.01175	0.8
202.02701	1.1
211.13409	1.5
213.02025	0.6
214.99915	1.2
229.01346	1.0
229.14490	0.7
230.02191	0.8
241.01367	0.9
242.99355	3.6
258.01691	4.2
269.08231	0.9
270.98856	46.0
271.99054	2.9
282.98862	1.2
283.99637	6.3
285.00430	19.2
286.01151	9.0
287.01529	0.8
297.00537	1.6
298.00922	0.7
298.98349	55.1
299.98666	5.6
300.99963	0.7
310.98309	1.2
312.99921	38.6
314.00687	58.7
314.36374	0.5
315.01053	4.7
329.03043	100.0
329.10352	5.6
329.23242	5.8
330.03333	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	329.0303
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
59.01383	7.6
64.46338	0.8
69.47104	5.9
72.99287	0.8
79.01859	0.8
79.95728	1.5
84.56902	1.0
93.03513	0.8
95.01414	2.5
96.96017	100.0
97.06564	0.9
99.63534	1.0
109.71818	0.9
122.42848	0.9
123.00873	1.1
125.02425	1.4
149.02266	0.8
151.00311	2.1
152.08437	2.0
161.02528	1.0
169.01379	1.7
174.03255	1.5
193.05032	4.6
214.99835	3.1
218.50403	0.8
240.00824	1.2
241.03229	1.5
242.99411	9.6
258.01718	2.4
270.98843	85.9
271.99228	5.1
285.00427	2.7
286.01291	4.9
298.98337	85.9
299.98645	7.6
301.03476	1.2
301.15479	1.5
312.99707	4.5
314.00693	91.1
315.01031	7.8
328.99713	2.7
329.03021	72.3
329.10562	23.5
329.14462	1.2
329.19711	2.1
329.23242	4.5
330.03339	5.6
330.11078	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	328.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68900	1.0
59.01386	5.0
61.98836	100.0
65.36974	1.0
70.07964	4.4
70.08312	1.2
71.01385	5.8
78.95911	1.1
85.02958	1.5
87.00885	2.4
89.02454	2.3
95.01388	4.0
96.96017	3.0
99.00867	1.1
101.02466	2.9
108.02203	2.0
109.02950	2.5
113.02431	5.3
121.02959	2.8
122.03751	35.4
123.00893	7.4
123.04539	6.0
125.02444	6.1
137.02467	3.1
149.99933	1.5
151.00327	0.9
161.04514	3.8
165.01961	1.7
165.05576	2.5
166.99794	1.4
167.03458	3.7
169.01395	2.8
177.05626	1.3
252.16934	1.2
275.07840	1.2
328.10306	2.2
329.05246	3.6
329.08984	3.3
353.51358	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	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74486	0.5
55.67402	0.5
59.01381	42.7
61.98826	2.1
69.22803	3.4
69.23225	1.8
74.99368	0.6
82.81135	0.5
87.00890	0.7
115.02512	1.7
117.00462	8.8
125.00961	0.7
126.98878	2.2
143.02020	2.5
144.99934	0.7
157.03554	1.4
159.01497	65.3
160.01642	3.9
168.99957	3.8
170.97862	9.1
171.01660	0.7
171.97960	0.9
172.01183	0.6
187.00986	100.0
188.00648	8.7
201.02551	14.6
202.02681	1.3
214.55228	0.6
232.98329	1.3
273.80872	0.6
274.99326	3.9
287.01175	0.9
311.01065	1.5
312.01086	0.6
328.96738	1.6
329.02457	2.5
330.02228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.14365	0.4
57.03471	0.4
58.00592	0.7
59.01379	0.6
62.77946	0.4
69.76434	1.4
69.76862	1.3
70.93430	0.4
71.93264	0.4
72.22892	0.4
97.06577	2.4
115.07641	1.2
119.05006	1.5
127.66646	0.4
129.21304	0.4
141.47610	0.4
153.12842	2.6
155.14427	5.1
181.12357	0.4
181.98441	0.4
183.13913	6.6
184.14206	0.6
199.13402	6.2
200.13699	0.7
211.13419	4.3
212.13675	0.7
227.12880	3.4
229.14449	100.0
230.14775	6.8
245.82860	0.4
250.31940	0.6
291.19720	1.7
309.20724	8.0
310.21063	0.9
327.01581	0.7
327.08774	0.9
327.15955	0.9
327.21924	4.4
328.22354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03445	2.1
58.00579	0.6
67.61922	0.5
69.03469	1.2
69.29230	0.9
69.29626	4.3
71.01379	1.0
82.21592	0.5
83.05009	0.7
84.02191	0.7
85.02959	6.9
95.05037	1.1
95.51044	0.5
97.02966	0.6
97.06586	4.5
105.41241	0.5
125.09724	1.4
127.11300	2.0
137.09692	1.9
141.56082	0.6
155.10796	0.9
155.14508	1.0
155.61305	0.5
165.12828	1.2
166.11452	0.6
167.14441	1.2
171.10281	12.9
177.12819	1.4
183.13890	4.6
185.11877	1.5
193.12335	1.6
197.11844	0.7
201.11360	0.7
203.10715	0.7
209.11807	1.6
211.13409	23.1
212.13759	1.8
221.11832	3.2
229.14438	15.4
230.14694	1.0
239.12909	2.8
291.19727	3.6
308.97638	0.6
309.20599	1.4
327.21774	100.0
328.22134	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.68456	0.9
59.01379	1.4
69.03456	1.4
69.66225	1.7
69.66644	2.7
71.01398	1.0
71.05021	1.6
73.02945	3.5
75.00816	0.8
75.75468	0.7
85.02964	1.2
97.06602	2.8
98.03714	0.8
99.08159	2.4
112.05324	2.5
113.09687	1.2
115.07657	2.8
117.07304	0.7
125.09716	1.5
127.07669	7.4
127.11290	1.8
129.09225	27.9
129.10188	1.5
141.09242	11.7
141.12859	1.8
153.12848	0.8
155.10799	21.0
156.11147	1.5
161.02644	1.1
165.12877	1.9
171.10297	19.5
171.11705	0.6
173.08243	1.3
173.66840	0.9
185.11841	47.0
186.12151	1.9
197.11844	41.5
198.12253	1.9
209.11839	6.8
210.12331	1.0
211.13383	2.1
237.44385	0.9
247.20598	1.8
264.10837	0.9
267.19778	0.9
273.18695	0.9
291.19662	14.3
292.20007	2.0
309.20746	29.0
310.21054	2.5
327.08887	1.9
327.21780	100.0
328.22211	8.3
334.31570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.74105	0.4
54.16132	0.4
57.03439	0.7
58.00602	1.5
59.01382	3.3
62.48638	0.5
64.20866	0.4
69.03464	0.6
71.01382	1.1
71.59628	0.4
83.05035	0.6
84.02124	0.5
85.02948	1.2
93.07098	0.4
95.05077	0.6
97.06583	2.2
97.84914	0.4
109.06561	0.7
111.08158	11.2
123.08153	0.5
151.11327	0.5
153.12859	1.0
161.04712	0.4
166.02786	0.6
169.12320	5.1
171.10315	2.8
177.12881	0.5
179.10832	0.7
181.12340	0.8
183.13820	0.8
185.11833	2.4
186.12202	0.5
193.12393	0.4
197.11835	41.1
198.12151	2.2
199.13438	5.1
209.11847	1.7
209.15427	0.5
211.13376	4.2
221.11797	1.4
227.12817	0.9
229.14471	1.5
229.33360	0.4
230.14790	0.4
233.15366	0.4
239.12863	1.2
251.16510	0.7
263.20132	1.1
273.18588	0.6
291.19684	3.1
309.20679	3.2
327.08804	1.6
327.21768	100.0
328.22092	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.9
59.01389	3.7
59.01647	0.6
70.89112	1.4
83.05046	0.7
85.02957	0.6
97.06600	2.5
111.08158	11.0
127.07693	1.6
137.09752	0.7
151.00389	0.6
153.12839	1.0
166.35954	0.6
169.12346	7.6
171.10260	3.3
172.89365	0.7
179.10854	1.0
181.12314	1.5
197.11845	51.7
198.12149	3.2
199.13408	9.9
211.13374	4.9
227.12953	1.1
229.14479	1.1
255.06445	0.9
256.07294	0.6
259.39682	0.7
263.20105	1.2
291.19730	2.8
309.20795	3.7
327.21783	100.0
328.22150	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	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
56.97739	0.7
57.03457	1.2
58.00600	1.4
59.01385	37.0
63.33022	0.8
71.01390	22.0
71.61259	1.1
72.99324	3.6
73.02957	1.1
75.00861	1.1
79.41697	0.8
83.01405	1.6
85.02959	6.6
87.00897	1.7
89.02448	17.9
93.03484	0.9
95.01426	1.5
96.96021	14.4
96.96592	1.3
98.95602	3.3
98.96459	1.1
99.04535	0.8
101.02455	13.6
109.02914	0.8
113.02475	7.9
117.03474	0.8
119.03515	7.4
119.05000	5.6
124.29782	0.8
143.03671	0.9
145.02977	3.3
147.04536	100.0
148.04893	4.4
165.05582	14.4
190.33846	0.9
191.03441	0.9
224.08852	3.5
227.12805	1.3
239.11115	3.2
247.15575	2.3
267.12424	1.4
283.13834	2.9
293.50195	0.8
326.98029	1.3
327.01660	2.2
327.10925	61.2
327.13922	2.3
328.11102	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	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.71931	0.3
57.03432	0.5
59.01379	15.0
69.66202	0.4
69.66515	2.5
71.01389	2.5
72.99313	0.5
73.02959	0.9
78.08109	0.3
80.75919	0.4
81.03445	0.4
83.01405	0.6
85.02951	1.1
93.03461	6.7
95.05018	0.6
96.96014	4.5
97.02977	0.7
98.95594	1.3
99.00903	0.6
101.02427	1.1
107.04974	0.5
109.02945	3.5
113.02456	0.8
119.03617	0.4
119.05032	2.1
120.05394	0.5
120.99699	0.4
121.02956	0.5
121.05762	0.4
121.06591	6.9
123.04520	2.1
125.02437	2.7
135.04547	0.5
137.02420	1.9
148.01619	0.6
149.02452	1.0
151.04028	1.3
161.02489	0.6
161.06068	0.4
163.04025	0.9
164.04361	0.4
165.05569	100.0
166.05905	4.5
177.01930	0.9
179.03477	0.7
188.04744	0.5
202.99899	0.6
203.07132	1.9
205.05069	0.5
214.99965	0.4
221.08141	0.6
224.08855	1.1
239.11183	1.2
242.99345	0.5
245.08142	2.4
270.98862	0.6
272.15305	0.4
277.88458	0.3
289.07181	9.6
290.07538	1.0
291.07794	0.8
301.06970	0.5
326.97867	1.5
327.01480	0.6
327.04913	0.8
327.10965	2.4
328.08279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.7
59.01374	0.8
63.02393	0.5
65.00316	2.6
70.94094	1.4
73.35299	0.6
81.03465	19.4
83.01385	4.8
83.05027	1.0
93.03510	0.5
95.01387	5.8
95.05029	1.8
107.01369	2.5
108.03324	0.5
109.06597	0.9
111.00899	0.7
122.03735	0.6
123.00909	2.6
123.04531	12.5
124.01672	6.3
125.02453	9.6
135.04543	1.4
137.02443	1.0
137.06102	0.6
138.03276	0.6
139.00389	1.1
147.11792	3.2
151.00371	8.0
152.01164	8.9
166.02711	5.5
167.03528	5.9
173.09703	0.7
179.03511	12.5
180.04268	3.7
191.10722	1.1
193.05083	2.6
201.12943	1.3
212.03250	2.0
219.06703	0.6
234.08998	4.7
235.09601	1.5
243.13953	0.9
283.17105	7.3
284.17325	0.7
309.14996	1.3
327.16028	100.0
328.16388	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	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79578	0.3
51.45657	0.3
57.03457	3.1
59.01387	0.7
65.00314	2.0
67.01850	0.5
68.99848	0.5
69.03479	0.6
69.73770	2.3
76.02120	0.4
78.45067	0.3
81.03462	19.1
83.01395	6.5
83.05028	2.0
93.03442	0.5
95.01399	4.5
95.05013	1.1
97.06615	0.5
107.01395	2.2
107.05028	0.4
109.06599	0.8
122.03738	0.8
123.00912	2.2
123.04536	7.8
124.01682	3.6
125.01624	0.7
125.02467	8.0
133.10240	0.6
135.04495	1.2
139.00400	0.4
146.23640	0.3
147.11824	1.8
149.09720	0.5
151.00374	5.3
152.01158	4.8
166.02722	3.8
167.03526	3.9
173.13408	0.5
179.03479	7.3
180.04294	2.6
189.09178	0.4
191.10823	0.5
193.05086	1.3
198.01747	0.5
199.11259	0.8
201.05528	0.6
201.12819	2.1
204.51343	0.4
205.05206	0.4
212.03316	1.3
219.06654	0.7
225.12883	0.6
233.08105	0.4
233.49562	0.4
234.08928	1.5
241.15958	0.8
243.13860	1.2
256.65756	0.3
266.07715	0.6
267.14044	0.4
271.09760	0.6
283.17038	6.8
283.20178	0.3
284.17355	1.1
309.14862	1.9
327.16025	100.0
328.16354	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	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50426	0.4
57.03449	17.4
57.50036	0.4
65.00327	13.9
66.00687	0.6
69.51311	2.7
77.59343	0.4
79.05539	1.1
81.03465	4.0
83.01395	7.3
83.92722	0.4
123.04537	8.1
125.02454	100.0
126.02831	3.3
155.49469	0.5
183.16248	0.5
188.89557	0.4
194.32013	0.4
199.14966	0.8
201.12872	0.9
283.17126	1.5
327.16025	13.0
327.19254	0.7
328.16443	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	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	17.8
65.00332	14.1
66.00671	0.4
70.34876	0.5
70.35269	0.4
79.05544	0.4
81.03461	3.5
83.01392	7.7
83.05054	0.6
84.01717	0.3
85.40601	0.2
86.08844	0.2
93.67882	0.2
107.08674	0.6
122.03741	0.3
123.04530	7.4
123.08176	0.4
125.02454	100.0
126.02783	3.6
135.04520	0.6
144.82195	0.2
147.11826	0.9
170.98309	0.2
199.14891	0.7
201.12901	0.4
206.53029	0.2
241.15996	0.6
254.36494	0.2
283.17047	1.7
285.14935	0.7
327.16040	13.3
328.16403	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.63849	0.3
57.03455	0.4
58.00600	1.9
59.01390	2.9
69.03442	0.5
72.99312	0.4
83.05028	0.9
97.06595	1.9
106.60981	0.4
109.06585	0.8
111.08169	9.6
112.08569	0.4
127.07655	1.2
134.03746	0.7
151.91029	0.3
153.12813	0.9
155.14490	0.4
169.12347	6.7
170.12642	0.4
171.10298	1.3
177.01973	0.8
179.10733	0.8
180.58345	0.4
181.12320	2.0
183.13957	1.2
185.11847	0.4
193.12404	0.7
197.11844	49.3
198.12204	3.3
199.13409	8.8
200.13797	0.5
209.11815	0.5
211.13425	5.9
212.13716	0.5
221.11864	0.8
227.12881	1.4
229.14409	1.3
239.16527	0.9
269.98026	1.3
283.05988	0.7
291.19666	2.8
297.97754	1.7
309.20853	2.8
311.05521	1.4
312.06415	10.0
312.99832	2.0
313.06775	0.6
327.08813	8.1
327.21777	100.0
328.02209	1.5
328.09134	1.2
328.22137	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	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.83059	1.3
55.20816	1.2
57.03453	7.3
59.01096	2.4
59.01381	32.9
66.20200	1.3
69.03461	4.4
69.24512	1.3
71.01370	3.9
71.05024	9.6
80.02687	3.1
80.44427	1.2
83.01379	1.6
83.05034	5.5
85.02956	2.3
85.06586	1.8
87.04540	2.8
91.05541	2.2
93.03464	1.4
95.05022	4.0
97.02969	6.1
97.06590	4.4
99.04485	2.1
100.37809	1.4
107.05047	2.2
109.02930	1.6
109.06597	28.3
110.06960	1.9
110.20659	1.5
111.08137	3.3
115.07653	1.5
125.06071	4.7
125.13969	1.2
125.39482	1.3
127.04024	4.9
127.07640	3.7
151.00470	1.4
151.04063	1.7
151.11308	1.6
167.10664	2.4
169.12358	6.8
181.12315	5.0
183.13876	3.4
189.43649	1.2
193.12354	2.1
195.13805	1.2
197.11836	48.1
198.12186	2.7
199.13383	4.8
201.11301	4.1
205.08670	1.6
209.08095	2.0
211.13406	23.6
219.13988	1.5
223.09634	1.5
227.12802	2.4
235.13388	4.6
237.15015	4.6
246.83707	1.2
247.09784	4.0
249.14923	3.2
251.16490	1.6
265.10727	3.5
267.15948	2.6
269.10306	1.4
269.35461	1.4
276.52249	1.1
279.12411	2.2
289.18228	6.5
307.11975	10.0
307.19052	6.6
309.65869	1.4
313.85104	1.3
325.07141	3.2
325.12967	50.0
325.20184	100.0
326.13226	4.3
326.20538	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	327.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33779	0.4
59.01360	0.7
61.98809	0.7
65.00295	0.4
68.99783	0.5
69.41161	1.0
69.41566	2.3
72.10723	0.4
77.85461	0.4
92.73821	0.4
99.92547	0.6
104.02679	1.1
115.92071	0.8
116.02651	0.6
116.75763	0.4
116.92858	2.3
117.03410	0.5
125.50467	0.4
128.02672	0.4
131.62291	0.3
132.02170	3.2
144.02159	0.9
148.01639	0.7
156.00993	0.7
156.02180	11.4
157.02429	0.7
160.01654	2.2
163.00302	0.5
169.99939	0.4
172.01640	3.2
173.99768	0.4
176.01126	0.9
183.01076	0.4
184.01653	8.2
185.01865	0.4
188.01126	1.4
195.80869	0.4
200.01160	13.3
204.00580	0.6
212.01161	4.2
216.00600	1.3
226.99680	0.8
228.00607	6.0
239.98244	0.8
240.00620	14.3
241.01010	1.2
242.99208	0.4
254.99356	3.0
256.00079	3.5
259.99182	0.5
282.98770	1.8
283.06091	1.4
283.99612	11.5
294.98984	0.4
297.04446	0.5
309.04242	1.1
310.98273	0.8
311.05640	4.2
311.99118	100.0
312.99435	8.1
327.01465	51.6
327.08298	5.6
327.21725	3.4
328.01886	4.7
328.05737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
51.68425	0.3
53.98965	0.3
64.63165	0.3
69.67151	0.7
69.67510	2.1
79.01872	0.6
111.04579	0.5
132.02216	0.4
133.02960	5.0
134.02856	0.4
134.03760	5.4
135.04535	2.4
149.02423	2.4
150.03168	1.3
151.04083	0.5
159.04425	0.4
162.03235	0.4
171.10382	0.5
171.49493	0.4
175.03978	1.5
176.04774	0.4
177.01936	6.2
178.02655	0.6
179.03476	1.2
187.51968	0.4
201.01888	1.0
201.05629	0.4
203.03488	0.7
213.05611	0.7
225.05495	0.7
227.03496	0.4
239.07149	1.1
240.07712	0.4
241.04990	0.8
243.06697	0.4
255.06621	1.4
267.06720	1.5
269.04547	1.0
283.06122	5.0
284.06821	1.8
311.05655	16.1
312.06412	100.0
313.06766	9.8
322.77927	0.4
327.08755	90.2
328.09113	10.3
344.05386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
70.44936	1.3
79.01894	0.7
95.01410	0.4
102.46742	0.4
103.01893	0.7
105.03448	0.5
117.03443	5.0
121.02991	0.7
133.70871	0.5
136.01627	0.5
137.02451	0.5
137.99985	0.4
149.02431	1.2
150.03252	0.7
163.03993	1.3
164.01183	0.4
165.01913	1.3
171.10204	0.4
174.03186	0.5
175.03975	0.6
177.01912	0.9
179.00029	0.4
182.40677	0.4
189.01952	1.0
189.05609	0.4
190.99925	2.0
191.03558	2.5
192.00658	0.8
193.01430	9.2
194.01755	0.4
204.77725	0.5
206.02304	0.5
238.01178	0.4
238.06451	0.5
239.07126	1.1
239.12961	0.5
241.05148	0.5
265.04855	0.6
266.05801	1.7
281.04538	0.5
282.05344	1.0
283.06143	27.7
284.06528	3.2
293.04611	0.8
294.05273	3.4
295.06134	2.4
309.04111	6.4
309.07532	0.6
310.04596	0.5
311.05627	96.2
312.06271	26.7
313.06647	1.8
327.08752	100.0
327.21552	4.0
328.09061	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
63.08940	0.3
68.99773	0.3
79.01904	1.0
82.78603	0.4
105.03443	0.4
117.03439	5.8
119.05016	0.8
121.02922	0.4
136.01645	0.7
149.02437	1.1
150.03191	0.8
159.04442	0.5
163.03979	1.6
164.01163	0.6
164.04643	0.4
165.01918	1.6
170.17622	0.3
174.03233	0.6
175.04033	0.8
177.01944	1.5
178.99854	0.5
189.01894	0.9
189.05614	0.6
190.99878	1.9
191.03517	2.9
192.75824	0.4
192.99750	0.7
193.01431	10.3
194.01741	0.5
197.05991	0.5
204.68773	0.4
206.02222	0.6
215.07031	0.5
218.22908	0.3
226.28745	0.4
229.12508	0.4
237.05534	0.9
238.01295	0.6
239.07114	0.9
241.05119	0.6
265.05054	0.7
266.05801	0.7
267.06454	0.5
282.05283	1.2
283.06140	29.3
284.06485	2.4
293.04333	0.6
294.05334	3.4
295.06003	2.8
309.04080	8.0
309.07611	0.8
310.04440	0.9
311.05627	91.5
312.06281	26.2
313.06729	1.6
327.08746	100.0
327.21552	3.3
328.09085	9.9
340.86398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
59.01374	3.6
63.86288	1.4
69.57029	1.6
71.01382	4.1
72.02145	1.7
73.02936	1.6
83.05035	5.3
84.02189	3.7
85.02905	1.8
96.96011	2.7
97.06559	1.4
98.03699	1.4
98.95589	8.0
98.96407	2.1
99.08154	3.2
111.08138	1.4
115.07686	3.0
125.09737	4.8
127.07670	15.2
135.08151	1.9
139.07660	4.0
153.09224	17.1
155.10823	3.5
163.11293	4.1
165.12851	2.9
171.10275	16.0
178.09937	2.0
181.12453	2.0
185.11861	16.1
197.11853	15.1
207.10367	1.7
209.11853	75.3
210.12148	3.2
222.53271	1.6
229.14523	2.6
236.10533	1.8
238.12096	6.1
245.19141	3.2
256.13177	2.9
279.19495	1.8
289.18115	11.7
307.19171	100.0
308.19647	9.8
325.07138	3.3
325.15610	5.7
325.20233	48.0
325.23853	6.0
326.20459	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03451	36.3
59.01382	53.2
68.76242	1.0
69.03455	2.9
69.54325	7.9
71.05019	1.5
73.02951	1.4
81.03461	8.1
83.01380	6.3
83.05035	6.7
85.02960	2.2
85.06594	2.1
93.03452	2.1
95.05029	4.2
97.06593	25.0
107.05007	1.1
109.06589	9.6
111.04419	1.1
115.07673	1.3
116.61633	1.2
121.02962	1.5
124.05286	1.7
125.06104	1.6
125.09784	1.2
137.09669	1.5
139.07666	1.8
139.11327	2.8
141.12866	33.2
150.51680	1.3
151.00398	2.1
155.14426	4.5
170.12524	1.1
171.13937	1.7
181.15997	5.1
183.01176	1.6
183.17575	2.8
185.15480	13.1
193.15941	1.2
195.17500	2.5
197.15398	1.1
201.11346	1.7
207.17569	2.1
208.17999	1.3
219.17603	2.1
221.19090	20.0
222.19456	1.9
223.17010	4.0
237.18649	3.4
237.22246	7.7
239.20192	18.2
257.21274	3.6
263.20215	4.9
279.19708	1.7
281.21222	64.7
282.21716	6.5
286.75766	1.2
289.99631	1.2
307.19095	3.1
325.07230	4.4
325.20209	100.0
326.20615	10.4
334.04471	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	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
55.01833	0.2
59.01097	0.4
59.01382	6.8
69.48072	2.1
69.48402	0.5
71.01380	2.3
71.05016	0.4
85.02946	0.8
89.02452	2.0
95.01403	0.3
96.96014	12.3
98.95602	1.5
98.96369	0.3
101.02457	1.3
101.06117	0.5
106.34146	0.3
113.02446	1.2
115.72678	0.3
117.03472	20.7
118.03784	1.0
119.03538	0.5
119.05034	6.4
121.02970	0.4
126.56511	0.3
133.06593	0.7
145.02962	100.0
146.03299	4.2
159.04544	0.5
161.06117	1.9
163.04024	9.4
164.04384	0.6
187.04027	3.1
205.05061	2.2
206.01443	0.8
235.06216	1.1
245.13908	0.8
265.07120	2.8
281.10712	0.8
302.97742	0.3
325.09586	12.5
325.13455	0.6
326.09903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
54.70399	1.9
57.03456	1.9
59.01377	20.5
63.90064	1.6
66.25203	1.5
68.70103	1.6
69.53260	8.7
69.53670	3.0
71.01392	13.9
71.05032	11.4
73.02937	3.3
79.95750	2.4
85.02994	3.1
89.02448	6.3
93.03446	3.3
96.96015	100.0
98.95614	4.8
101.02457	4.1
113.02454	3.7
117.03469	16.5
119.03655	2.9
119.05038	59.0
120.05331	2.2
120.99704	2.0
121.02935	2.7
132.05814	3.3
133.06610	9.5
140.13406	1.4
145.02965	74.0
145.08701	2.6
146.03328	3.2
147.04500	1.5
149.04353	2.0
152.14676	1.4
159.04430	2.1
161.06108	26.0
163.04018	56.6
164.04391	3.8
175.04012	2.0
177.05531	8.0
187.03983	3.7
187.97646	1.5
192.32693	1.6
205.05063	36.0
206.05408	3.2
235.06133	24.7
245.13947	12.8
265.07178	60.3
266.07541	4.7
281.10660	5.9
325.09656	74.8
326.10013	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	325.0928
Annotation	cis-beta-D-Glucosyl-2-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01389	1.9
69.03475	0.9
69.93074	3.4
71.01386	2.3
72.99314	12.4
81.03446	0.7
85.02978	0.7
87.00860	0.7
88.03979	0.6
93.03468	1.1
93.49871	0.7
96.96016	4.7
98.19977	1.4
105.71461	0.6
107.05044	1.8
119.05038	14.3
121.02943	2.4
123.04523	0.8
134.03754	2.3
135.00891	0.6
135.04514	5.5
138.84201	0.6
142.81619	0.7
143.03497	0.7
145.03006	1.3
145.06660	0.8
147.04543	2.2
149.06120	1.6
159.04651	0.6
161.06075	11.6
163.04002	3.9
171.08041	0.8
172.05321	1.2
173.06149	3.3
173.09749	1.5
175.03964	0.6
175.07664	1.1
176.04842	0.8
177.05571	4.0
181.05075	3.7
183.08231	2.1
187.07637	0.8
189.05484	0.9
189.09209	3.0
199.07712	1.7
201.09230	27.3
202.09578	1.8
205.05016	3.2
207.02995	0.9
209.06111	1.3
215.07237	1.1
217.08693	16.5
218.09021	1.1
219.10338	1.0
223.06120	3.7
227.07132	7.0
235.06195	1.0
243.06552	2.1
245.08218	14.0
246.08553	1.5
255.59151	0.7
263.09247	16.7
263.12546	0.8
264.09583	1.4
271.06152	2.8
279.08737	2.1
289.07156	4.6
307.08264	6.0
325.09314	100.0
326.09668	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	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01377	1.5
70.92421	1.2
71.01385	1.0
87.04547	0.6
96.96013	12.4
98.95613	0.8
101.63053	0.4
109.02975	0.6
111.45393	0.4
117.03475	3.9
119.05029	100.0
120.05362	5.2
123.04522	0.7
129.35658	0.5
145.02962	16.0
145.08734	1.0
146.03429	0.7
163.04008	78.3
164.04367	4.6
179.50920	0.5
205.04997	1.3
289.07199	2.6
290.67694	0.5
325.09628	7.9
326.09763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01386	1.3
59.49487	0.2
62.93141	0.3
63.37468	0.2
68.32550	0.2
70.59329	0.4
70.59671	0.3
91.05583	0.2
93.03456	0.7
96.95998	1.8
98.95589	0.2
100.39237	0.2
101.02409	0.2
109.02973	0.4
113.02480	0.2
117.03469	0.5
119.05035	100.0
120.05371	4.6
121.03008	0.3
123.04521	0.3
125.02394	0.4
134.03676	0.3
137.02516	0.3
138.61908	0.2
145.02979	0.5
147.57341	0.2
163.04019	60.7
164.03053	0.2
164.04364	3.3
169.01439	0.3
193.05092	0.5
205.05118	0.4
245.08199	0.4
245.14037	0.2
282.78897	0.2
289.07294	0.9
325.09808	1.1
325.13062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0719
Annotation	Toxyloxanthone B
Peak:m/z	Relative Intensity
52.72200	0.7
59.01371	2.3
59.52084	0.7
71.61050	0.8
77.03972	0.9
85.69527	0.7
101.34600	0.8
109.06609	0.6
113.16576	0.7
117.03477	6.5
121.02966	2.4
134.03741	0.9
135.00783	1.6
152.18237	0.7
161.02429	1.9
162.03200	0.7
163.00473	1.6
164.01155	0.9
165.01929	2.1
171.10280	1.1
186.03226	1.8
197.11745	0.8
198.07010	0.7
207.02910	0.9
209.06158	1.3
209.11761	0.8
209.77060	0.7
210.06812	0.8
213.05557	1.1
223.04062	1.1
225.05537	2.6
226.06282	0.8
238.06438	0.8
239.03464	1.4
253.05049	6.2
254.05759	3.3
262.00076	0.9
281.04587	18.7
281.17584	1.0
282.05344	100.0
283.05740	8.1
295.06149	1.0
297.04178	2.1
307.18759	1.5
310.04816	8.8
314.04337	0.9
325.07193	95.1
325.20172	5.1
326.07471	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24789	0.5
59.01388	0.5
62.83847	0.5
65.00317	0.7
69.67348	2.8
69.67770	1.1
77.04012	0.5
95.91700	0.6
98.19849	0.7
117.03458	5.0
121.02944	1.3
135.00864	1.1
161.02460	1.4
162.03220	1.2
163.00369	1.1
164.01173	0.7
165.01921	1.6
184.05302	1.7
186.03320	0.9
197.06143	0.8
209.06024	0.7
209.11890	1.2
210.06778	0.9
211.04048	1.9
213.09222	1.1
214.02652	0.6
223.07704	0.9
225.05659	1.3
225.09326	0.9
226.06145	0.8
237.05557	0.9
239.03476	1.2
240.04306	0.9
241.08748	1.2
242.02136	0.7
251.07143	1.8
253.05090	6.3
254.05765	2.4
256.03641	1.2
261.05579	0.7
265.05066	0.7
267.03015	1.6
268.03665	0.8
269.08228	2.6
279.03186	0.8
279.06619	2.3
281.04568	14.3
281.07761	1.2
282.05347	63.1
283.05682	5.4
295.06189	1.4
296.03235	1.3
296.06833	1.9
297.04254	1.2
297.07678	5.8
307.06097	3.0
307.15524	1.4
307.19016	1.3
308.06644	0.6
309.04034	2.7
310.04913	7.4
325.07187	100.0
326.07538	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	325.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12459	0.4
59.01376	1.8
71.59737	0.5
81.74903	0.4
121.02879	0.5
155.18277	0.4
171.04645	0.5
183.04491	0.5
184.05321	1.9
185.11729	0.5
196.05229	0.6
197.09785	0.8
198.03185	0.8
199.03897	0.4
200.04636	0.7
207.08177	0.6
208.05394	0.9
209.05942	0.7
211.03986	1.0
212.04727	0.7
213.09180	1.7
214.02669	1.0
223.07652	2.0
225.05690	0.6
225.09149	2.8
226.02689	0.7
227.03552	0.6
227.07082	0.5
235.04027	0.6
235.07704	1.1
236.04599	0.6
236.39801	0.4
237.05650	0.9
239.03506	1.0
240.04326	0.7
240.07886	0.6
241.08708	3.2
242.02182	1.8
248.04796	0.5
249.05859	0.5
249.16656	0.5
250.02641	0.6
251.07124	4.2
253.05008	1.0
253.08717	1.2
254.05815	0.6
255.02780	0.5
256.03723	1.2
261.05548	0.9
263.03452	0.6
264.04279	1.7
265.05026	1.5
267.02957	4.6
267.05957	0.6
268.03705	2.0
268.07239	0.5
269.08167	4.6
270.01666	0.4
277.05090	0.5
278.02301	0.5
278.05740	0.5
279.03006	1.9
279.06607	4.3
280.07504	0.6
281.04596	4.7
281.08148	1.9
282.05356	4.5
283.05728	0.5
284.03131	0.8
289.05145	0.8
292.03802	2.0
293.04361	0.6
295.02734	0.8
295.06131	2.8
296.03214	4.1
296.06851	4.0
297.07651	12.0
298.08093	0.9
306.05273	1.0
307.06122	7.5
308.06619	1.3
309.04071	6.5
310.04761	2.2
325.07172	100.0
325.23990	1.0
326.07520	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	323.1865
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
55.01882	1.9
55.16081	0.5
57.03445	2.5
59.01382	1.6
67.01917	0.5
74.97917	0.5
79.01903	3.1
85.06596	11.2
91.05560	0.6
97.02955	4.6
97.06612	0.6
98.20741	0.9
107.05029	1.1
109.06591	10.9
110.06933	0.5
111.04527	16.2
113.09731	4.2
121.06612	1.1
123.08196	0.8
126.31185	0.4
134.04750	0.4
135.04535	3.1
135.08130	0.7
136.05197	0.8
138.03224	0.9
148.05293	0.7
151.04031	1.0
151.07709	0.8
153.05583	99.7
154.05949	4.2
161.09720	1.7
163.07637	0.8
165.05577	4.3
177.09259	1.2
179.03519	1.6
179.07164	2.1
199.51897	0.5
205.08713	0.5
224.45630	0.5
237.15074	0.6
261.18729	0.6
277.18097	0.6
279.19666	1.2
300.06046	0.5
305.17609	2.1
305.21176	1.3
323.18637	100.0
324.19006	11.6
325.89819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86195	0.7
55.01886	1.2
57.03430	1.0
59.01383	36.5
60.01722	4.6
66.80871	0.7
70.75726	0.8
71.05019	0.8
71.60680	1.3
72.01278	0.7
73.02907	0.9
79.01877	3.5
80.02215	1.7
85.06604	3.9
86.06926	1.3
95.05025	1.4
97.02930	2.1
97.06561	0.9
99.13891	0.7
107.05015	0.8
109.06608	4.0
110.06893	2.4
111.04510	4.5
112.04844	2.8
121.02947	0.9
125.09703	1.6
135.04509	2.0
136.04814	1.7
140.04257	2.2
141.04417	1.4
153.05569	11.1
154.05920	10.2
154.87163	0.8
164.11467	1.1
179.03447	1.2
184.05225	1.1
203.93654	0.7
209.11749	2.7
212.35280	0.8
219.13739	2.3
220.14223	9.0
223.07477	0.8
225.09109	1.9
238.15292	1.1
251.06931	1.6
263.12762	3.4
264.13214	21.5
265.05029	0.8
267.02814	2.2
269.08035	1.6
279.02963	1.1
279.06540	1.8
280.16302	5.2
281.04333	2.5
281.07608	0.9
282.05341	4.1
282.14310	6.9
296.03143	2.2
296.06696	1.0
297.07773	6.3
306.21381	3.1
307.05945	2.7
307.19012	3.0
309.03781	2.0
310.04352	1.0
324.15118	100.0
324.17966	10.1
325.07175	53.0
325.15305	8.4
325.19235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1507
Annotation	Tetraneurin D
Peak:m/z	Relative Intensity
57.03447	1.4
59.01379	1.4
62.69524	0.4
69.03460	0.7
69.12553	0.4
69.55650	2.8
71.05029	3.9
71.80944	0.4
79.95757	0.7
83.05027	1.9
85.02976	2.6
95.05032	0.7
96.96019	45.3
97.02964	0.7
97.06600	1.7
99.04536	2.8
107.05037	1.6
108.02158	0.5
109.02962	3.6
109.06609	0.9
111.04540	3.3
113.02464	1.4
123.04527	3.3
125.02464	1.4
125.06094	3.0
127.04037	6.6
135.00912	0.6
137.02477	0.7
137.29904	0.5
149.02519	0.6
151.04022	4.0
151.07562	0.4
152.04745	1.5
153.01947	0.5
153.05605	1.9
153.09268	0.7
163.04074	0.6
163.11206	0.5
164.04773	1.6
167.03522	1.0
169.05083	0.7
171.10216	0.8
177.01956	1.3
177.05429	0.5
178.02652	0.7
178.06203	0.4
188.83273	0.4
191.03452	0.6
192.04196	0.4
195.10237	1.2
196.03857	0.6
204.96342	0.4
205.05011	1.4
207.10214	0.7
223.13374	1.2
235.13412	0.8
237.14951	0.5
243.17273	0.9
243.19661	11.4
244.19881	0.7
261.14914	1.2
262.12091	0.5
263.12909	6.0
264.13513	1.0
265.10861	0.5
267.12387	5.7
277.14459	6.3
279.12775	0.5
279.16083	1.4
281.14001	1.3
287.12839	0.5
289.10709	0.6
305.13980	27.3
306.14395	2.2
308.12674	1.6
323.15125	100.0
324.15433	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87880	0.3
57.16017	0.2
57.28376	0.3
59.01368	0.7
74.08653	0.3
79.46441	0.3
79.95736	1.6
96.96016	100.0
97.95933	0.4
114.32117	0.3
164.53511	0.3
183.17555	0.8
190.99939	0.3
197.19112	0.7
198.22449	0.3
221.54483	0.3
221.65047	0.3
225.18579	0.8
243.19649	22.9
244.19931	1.9
277.80582	0.3
295.39322	0.3
323.15329	67.4
324.15637	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	323.1866
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
59.01398	2.1
69.53114	2.3
69.53517	0.9
72.99290	0.4
73.60072	0.5
77.03978	1.0
79.01897	1.1
95.01411	0.5
105.03499	0.9
109.02965	0.6
111.04510	0.6
113.09756	0.7
123.04514	0.5
135.00989	0.6
135.04515	1.2
137.02438	1.7
138.03233	31.9
139.04100	3.2
149.06137	0.8
151.04036	1.0
153.05583	100.0
154.05943	4.5
164.01123	1.2
165.01926	5.1
166.02727	13.0
167.03496	4.0
170.02206	1.0
175.04039	0.7
179.03513	1.8
180.04326	2.4
181.04977	0.5
181.30856	0.5
193.05087	4.8
194.05516	0.7
207.06618	4.7
208.07190	0.5
237.07556	0.7
237.15022	1.2
251.09442	0.6
270.66168	0.6
291.15982	1.0
299.99133	0.5
305.21393	0.6
305.79120	0.4
307.15622	0.9
308.16339	2.9
323.18640	83.3
324.19006	8.9
338.89603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53601	1.6
57.03438	6.3
59.01373	2.6
63.42546	1.6
65.00329	4.1
69.03453	6.3
71.01399	3.8
71.05013	3.7
81.03467	12.3
83.01395	7.6
83.05051	1.8
87.36414	1.6
91.29087	1.6
93.03482	2.3
95.01402	15.8
97.02942	18.2
97.53638	1.6
99.00880	17.1
107.01402	5.8
108.02200	2.2
109.06596	3.5
112.01681	2.1
123.00904	10.6
123.04486	1.8
124.01672	19.3
125.02467	24.1
125.09663	1.9
137.02425	4.1
138.03238	1.9
141.01976	19.9
150.99158	3.1
151.00380	58.8
152.01169	16.9
163.07587	1.9
165.01944	4.3
166.02722	100.0
167.03050	3.7
179.03499	11.8
181.01392	2.4
193.05103	4.1
198.01692	8.8
199.13431	1.8
202.67598	1.7
207.06593	5.1
221.08258	3.3
221.11961	2.7
223.13358	2.0
229.51045	1.7
235.09842	2.6
237.14926	2.3
249.11267	2.4
249.14992	2.6
250.12112	6.6
259.13498	1.7
261.14963	11.1
265.14481	1.8
277.14502	24.7
279.15976	5.2
281.13919	23.0
282.11157	5.1
282.14200	1.9
289.14493	2.2
293.13889	2.6
295.15485	2.7
305.13959	56.9
306.14212	6.5
307.02521	39.4
308.03064	11.8
323.05627	98.3
323.14865	57.5
324.05981	9.7
324.15338	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	323.15
Annotation	3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A
Peak:m/z	Relative Intensity
57.03450	4.6
57.71525	2.0
59.01367	10.5
69.03446	3.9
71.01385	1.9
71.05027	11.6
75.86863	1.8
79.01894	4.2
80.54810	1.8
81.03439	3.1
83.01405	2.1
83.05038	5.1
85.02957	5.7
85.06599	6.2
86.98126	1.7
93.03475	2.2
95.01389	2.5
95.05025	5.5
96.95998	2.6
97.02942	4.5
97.06583	5.8
99.04522	4.5
107.05044	5.5
109.02946	10.0
109.06579	13.7
111.04536	16.2
113.02449	4.4
123.00877	1.9
123.04516	10.6
124.01688	4.1
125.02436	3.0
125.06065	6.9
127.04011	13.2
133.06854	1.6
134.60278	1.6
135.00890	3.1
135.04506	3.1
135.08183	2.1
137.02448	3.9
139.04027	13.4
149.02451	1.7
149.09741	3.5
151.04036	11.5
151.07639	5.0
152.01178	2.7
152.04785	8.5
153.05588	51.3
153.09221	2.9
154.02647	3.5
161.09760	1.9
163.00368	4.0
163.03986	2.8
163.07616	4.3
165.01892	7.1
165.05566	2.4
167.03416	2.1
169.05081	7.3
171.10274	2.9
177.01918	3.5
177.09195	1.7
178.02597	1.9
179.03470	9.8
180.04274	23.7
180.14891	1.7
181.12418	2.8
186.87607	1.7
193.05144	2.9
194.05846	3.1
195.10226	3.6
197.11943	2.3
205.05103	2.1
205.12468	2.1
207.06622	26.2
207.10239	2.3
209.11877	10.5
212.03252	2.8
221.08231	2.4
221.11951	1.9
223.13358	3.0
235.09827	4.9
237.14978	5.8
249.11383	4.6
250.12114	13.9
261.14941	5.3
261.22229	7.2
262.31235	2.0
263.12848	13.9
267.12299	11.8
268.12848	1.9
277.14429	9.8
279.12332	1.7
279.16016	5.0
279.19601	2.7
281.13904	6.3
282.11288	2.0
287.12952	2.5
287.16403	2.8
289.14386	2.0
291.12430	8.7
299.99271	2.1
304.83829	1.8
305.10370	3.6
305.13980	73.3
305.17484	8.5
305.21149	57.7
306.14240	5.0
306.17929	2.1
306.21469	3.6
308.12695	5.6
323.15036	100.0
323.18387	6.8
323.22223	62.2
324.15356	9.1
324.22708	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14412	0.6
55.01895	0.8
55.83660	0.5
59.01384	100.0
60.01711	1.0
61.64079	0.7
61.89732	0.5
69.54275	4.5
71.00996	0.9
71.01388	15.6
72.99313	1.4
73.55880	0.6
78.04579	0.5
83.01402	0.6
85.02504	0.5
85.02939	3.1
87.00862	0.6
89.02454	19.7
95.01409	0.9
96.96018	1.5
101.02451	10.6
107.16650	0.6
113.02465	8.5
118.06750	0.6
119.03516	11.6
122.44603	0.6
125.02462	0.8
125.06110	0.6
125.46569	0.6
131.03535	1.5
143.03481	1.4
143.07155	5.2
161.04572	1.6
179.05634	4.8
179.92274	0.6
182.55554	0.6
240.37354	0.6
252.20554	0.6
323.13480	48.7
324.13742	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.20723	0.8
57.03451	2.3
58.00599	4.9
59.01384	96.9
66.93753	0.8
67.95799	0.8
69.52088	2.0
69.52499	4.0
71.01386	52.6
72.01734	0.9
72.99320	3.4
73.02953	2.0
75.00879	0.9
79.95747	11.5
83.01396	2.7
85.02965	9.9
87.00894	1.8
87.04520	2.5
89.02452	49.8
95.01419	3.9
95.95258	3.7
96.96016	100.0
97.02952	0.9
99.00896	1.3
101.02451	34.5
111.08160	1.4
113.02457	18.5
119.03513	23.5
120.34713	0.8
123.08110	1.2
125.02438	2.3
129.29713	0.8
131.03552	1.8
135.00865	2.4
143.03520	2.1
149.04555	1.7
156.67354	0.9
161.04594	2.2
161.08195	1.4
163.03981	1.0
173.06334	0.9
179.05621	2.8
214.96541	1.0
218.32190	1.0
221.04924	1.4
222.05611	1.1
243.12337	6.3
279.03479	1.0
279.09140	1.2
281.12592	1.2
287.03098	2.8
323.08051	48.5
323.13455	99.4
324.08304	3.8
324.13867	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	323.15
Annotation	Eremofortin D
Peak:m/z	Relative Intensity
50.62460	0.4
56.50259	0.4
59.01385	4.9
61.28119	0.3
63.06762	0.3
65.00332	2.4
71.61636	0.4
76.52791	0.3
81.03477	0.6
83.01395	0.6
89.00372	0.3
91.01897	0.9
93.03448	0.4
95.01397	2.8
96.02171	0.7
97.02967	1.3
107.01398	0.4
111.04527	0.9
121.02972	0.8
123.00900	1.1
124.01672	30.7
125.02032	0.3
125.02464	0.4
135.04552	1.0
137.02477	1.5
138.03267	1.7
139.04027	10.4
140.04459	0.4
149.06004	0.5
149.99568	0.6
151.00359	2.0
152.01166	41.6
153.01512	1.3
165.01924	2.9
166.02721	8.3
167.03154	0.4
177.21877	0.3
179.03499	11.1
180.04187	0.8
187.11293	1.1
193.05130	2.0
205.12241	0.7
207.06528	0.5
221.08224	1.3
235.09779	0.8
237.14754	0.4
247.13318	0.4
248.10623	1.3
249.11339	6.1
250.11691	0.4
263.12900	9.2
264.13248	0.8
265.10730	2.1
281.13962	9.4
282.14236	0.5
291.12253	0.7
305.21170	3.1
308.12662	3.7
323.15018	100.0
323.18307	4.3
324.15295	9.3
324.18823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85748	0.3
57.03451	2.1
59.01383	14.5
63.02393	0.4
65.00323	1.9
66.13462	0.4
70.35429	1.1
81.03463	16.5
83.01393	2.0
83.05020	0.6
98.20221	0.8
103.23135	0.3
107.01405	0.8
121.03014	0.4
122.03748	2.2
123.04456	0.5
125.02457	8.2
151.00375	2.1
155.10782	0.8
170.47649	0.4
171.12555	0.3
171.13931	0.7
173.11703	0.4
177.12840	1.2
179.03583	0.4
179.10747	1.3
183.13797	0.3
193.12195	0.4
195.13867	2.9
196.14230	0.4
197.11877	0.7
219.13904	12.6
220.14249	0.8
237.14961	5.1
238.15260	0.5
239.12831	1.7
245.11771	0.4
254.74712	0.4
263.12872	11.8
264.13190	0.8
279.16034	24.6
280.16379	2.0
281.13928	5.1
301.27716	0.3
305.13858	0.5
323.15018	100.0
323.18335	4.8
324.15387	9.7
324.18829	0.5
346.58578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1249
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.78665	0.7
56.89684	0.6
58.00597	2.0
59.01379	44.1
66.80843	0.8
71.01381	9.2
71.60619	1.6
72.99306	2.4
73.02929	0.8
74.99599	0.7
76.54469	0.8
79.09131	0.7
79.95749	2.6
83.03563	0.8
83.11333	0.8
87.00864	1.2
89.02441	8.4
96.96011	62.7
97.95898	0.9
101.02448	7.9
119.03500	1.8
119.05006	0.9
119.57853	0.7
125.02428	1.1
135.00887	2.4
145.07726	2.2
146.04778	1.1
160.06409	16.7
161.07199	69.0
162.07538	2.5
163.04037	1.0
173.10011	1.0
175.08759	45.1
176.09109	2.9
189.06693	100.0
190.07048	5.7
203.03514	1.3
203.08249	40.9
204.08574	2.2
214.96536	1.3
221.48969	0.8
229.09869	1.6
242.80878	0.7
243.12407	0.8
245.09082	1.0
269.36218	0.8
279.09119	5.1
295.13040	1.1
305.11414	1.5
323.08060	26.0
323.12439	29.7
323.70673	0.8
324.08426	2.2
324.12717	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
58.00602	1.0
59.01382	100.0
60.01730	1.2
71.01387	17.1
71.23467	1.3
72.99316	1.2
73.02948	1.1
79.95757	0.8
83.01382	1.4
85.02948	3.5
87.00906	1.3
88.11352	0.8
89.02448	20.6
95.01408	1.4
96.96010	5.6
101.02446	10.3
113.02457	7.4
114.20967	0.6
116.74129	0.7
119.03522	9.0
120.73759	0.5
125.02426	0.8
125.06089	0.9
131.03561	1.0
135.04565	1.3
143.03503	2.3
143.07150	9.7
145.02940	0.7
161.04587	2.0
163.04037	2.7
169.01419	1.2
179.05600	2.3
185.15623	0.8
207.03052	1.1
263.11380	1.1
285.57770	0.7
323.07773	2.5
323.13483	56.3
324.13690	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24938	0.7
55.01887	1.5
57.03452	1.9
58.00598	4.0
59.01384	100.0
61.09222	0.8
69.58318	2.1
69.58741	3.1
71.01389	55.2
72.99309	4.0
73.02954	1.7
73.73816	1.1
79.95744	6.2
83.01398	2.8
85.02954	11.3
85.86993	0.8
86.65483	0.8
87.00879	2.1
87.04510	0.8
89.02451	53.3
95.01390	5.3
95.95268	1.6
96.96017	32.7
101.02451	32.5
113.02461	20.2
119.03515	26.1
120.03850	0.9
125.02406	0.8
128.75888	0.7
131.03505	2.2
143.03485	1.8
143.07207	1.0
149.04544	1.6
151.35277	0.8
161.04530	1.4
161.08234	1.4
167.59003	0.8
179.05630	4.7
179.50723	0.8
243.12471	1.9
287.02939	1.4
323.08060	16.0
323.13492	96.7
324.08353	1.3
324.13858	4.4
335.02429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
56.89468	0.3
63.02418	0.3
65.00327	1.7
67.46194	0.3
69.68080	1.1
69.68488	0.6
83.01388	0.4
89.00333	0.5
91.01927	0.3
95.01395	4.3
96.02215	0.3
96.96021	3.4
97.02933	1.1
97.47334	0.3
107.46168	0.3
109.43861	0.3
111.00925	0.4
111.04482	0.4
121.02948	0.5
123.00887	2.1
124.01673	24.8
125.02421	0.6
135.04533	0.5
137.02443	1.2
138.03220	1.2
139.04028	9.9
146.39749	0.3
149.99583	1.0
151.00410	2.9
152.01166	34.2
153.01524	1.5
160.98755	1.0
165.01920	3.1
166.02728	10.5
177.09178	0.3
179.03502	13.5
180.04147	1.2
193.05092	1.6
198.01768	0.7
207.06581	0.7
220.80992	0.4
221.08183	2.2
233.15385	0.3
235.09724	2.3
245.19130	0.9
249.11301	2.0
263.12872	1.3
277.14499	1.6
289.18130	0.7
291.16122	0.5
305.17645	0.4
306.18372	1.7
321.20721	100.0
322.21078	11.0
322.23978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0934
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01880	1.3
57.57434	1.2
58.00581	3.8
59.01383	100.0
64.28377	1.2
71.01385	50.6
71.60351	1.8
72.99302	4.7
73.02921	2.5
74.02485	2.2
75.00856	2.4
83.01374	2.0
85.02965	10.4
87.00877	3.6
89.02448	53.2
91.01907	16.5
95.01376	3.4
96.95378	1.6
96.96011	32.3
101.02451	29.5
108.02188	2.4
113.02453	26.2
116.05068	33.3
117.05486	1.5
119.03505	22.8
125.02439	1.7
130.58940	1.2
131.03485	2.0
135.00893	50.4
143.03467	3.6
152.01120	3.2
160.04050	68.3
161.04465	7.1
179.05621	4.0
183.42870	1.3
202.05115	31.2
214.96603	16.6
220.56528	1.4
232.06126	4.7
242.05818	4.0
242.13971	1.8
243.12346	1.7
262.07199	44.9
263.07407	2.7
310.86896	1.2
322.09323	54.5
323.02264	2.5
323.07901	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	323.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01907	1.2
59.01368	1.8
60.43296	1.6
69.03449	9.3
69.56362	10.9
73.27147	1.3
79.01914	3.6
79.95755	5.0
80.96518	61.1
93.03458	2.5
95.01393	4.0
95.94313	1.9
96.96008	23.3
97.02961	2.8
98.19903	3.2
107.01389	5.0
108.02184	22.4
109.02972	34.0
111.34116	1.5
118.96073	1.6
121.02957	19.5
123.00874	4.4
125.02453	8.4
126.46402	1.9
135.00925	11.3
137.02454	41.7
152.01167	3.2
156.95219	1.5
169.01436	1.7
169.06580	3.5
173.44810	1.7
187.00714	4.5
197.06090	49.8
198.06519	2.8
198.72614	1.9
199.07591	2.6
213.05605	10.5
215.07130	6.8
225.05553	3.7
233.18120	1.6
243.06613	100.0
244.07008	6.5
305.01331	5.3
323.02328	92.0
323.18652	1.8
324.02756	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	323.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
62.73856	0.3
65.00335	0.5
73.59059	0.4
91.01898	23.5
92.02231	0.7
96.96023	1.5
122.97588	0.9
127.11282	0.5
135.00893	100.0
136.01221	4.4
141.64145	0.4
153.01906	1.8
175.45589	0.3
199.13434	1.0
214.96567	56.7
215.96875	2.2
233.23813	0.3
323.02347	3.5
323.11752	3.3
323.15128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03451	7.4
59.01374	2.5
62.36045	0.4
65.00330	1.6
69.03465	1.8
71.59743	0.6
77.93382	0.5
81.03464	16.1
83.01391	3.2
93.03477	1.1
95.01405	0.7
95.05038	1.5
102.62012	0.4
105.46486	0.5
107.01405	1.3
108.02165	0.4
109.06598	7.2
111.04514	2.6
113.01754	0.4
113.61836	0.4
123.04533	31.9
124.04833	1.0
125.02450	29.8
125.09721	0.5
126.02787	1.0
129.77081	0.5
135.04533	3.1
137.02435	0.5
139.04095	0.7
141.12880	6.4
151.00401	3.6
151.07661	25.1
152.08006	0.9
153.40718	0.4
160.98822	0.8
167.03503	29.7
168.03825	1.1
179.03506	10.1
180.03903	0.8
193.15901	0.6
195.14020	0.7
277.18024	0.7
303.15952	1.6
321.17078	100.0
322.17447	10.9
322.21222	0.6
338.57074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2072
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
53.29766	0.2
55.01874	0.3
57.03437	0.8
59.01368	0.5
62.22099	0.2
65.00327	0.4
65.52853	0.3
69.55330	1.8
71.05025	4.5
73.02943	0.4
73.50337	0.2
77.34686	0.2
79.01898	2.2
80.02692	0.6
81.03482	0.3
83.01394	0.4
93.03448	0.7
95.05031	15.2
96.05357	0.6
97.02956	2.3
106.02988	0.2
107.05032	0.4
107.21386	0.2
109.03014	0.3
121.02965	1.9
122.03735	0.9
135.04498	1.1
136.05367	1.2
137.06148	0.3
139.04018	14.7
140.04330	0.7
165.01933	2.5
166.02260	0.3
176.04680	0.3
181.16003	0.7
199.17090	0.5
207.17497	0.4
221.19073	2.1
223.17035	6.3
224.17467	0.6
235.20644	4.0
236.21043	0.5
259.20767	0.4
277.21729	36.7
278.22055	4.0
303.19647	1.4
321.20700	100.0
322.21045	11.6
334.22177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69069	0.4
57.03456	8.8
57.71246	0.4
61.56444	0.4
65.00342	0.8
69.96475	2.0
81.03473	1.5
83.01398	9.9
105.19725	0.4
112.07348	0.4
123.04543	1.3
125.02461	100.0
126.02789	3.3
149.02460	1.3
167.03502	1.6
181.49005	0.6
195.13873	5.3
321.17148	5.6
321.20889	1.5
322.17422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
59.01386	3.5
59.15508	0.5
65.00325	2.2
65.49612	0.4
69.57420	3.7
71.01398	0.5
76.09457	0.5
79.36600	0.5
81.03465	24.5
82.03798	0.9
83.01395	3.8
83.05042	5.7
84.08627	0.5
89.00328	0.5
95.01403	1.0
97.02970	0.7
97.06583	0.7
98.20604	0.7
107.01389	1.4
107.05049	0.9
109.02955	0.6
109.06632	0.7
111.08143	0.7
111.39823	0.5
119.05030	0.6
121.02885	0.5
123.04526	0.9
123.08172	9.3
124.01679	8.0
125.02464	12.7
125.06084	0.9
127.11283	1.7
129.09305	0.7
137.06096	0.9
139.04024	6.3
147.08162	1.0
149.06107	1.3
151.00406	2.8
152.01172	8.0
160.98793	0.7
165.01933	1.0
165.09212	6.3
166.02742	2.7
167.14418	1.5
179.03566	2.8
191.07146	2.7
193.05028	0.9
193.15944	1.9
195.13927	5.3
196.14265	0.7
219.13885	0.7
221.08253	0.7
235.09761	3.4
249.11201	1.1
256.68021	0.5
256.89664	0.6
261.14731	0.7
277.18204	2.9
303.16046	3.8
321.17075	100.0
322.17447	11.0
322.21219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23196	0.4
53.96424	0.5
57.03451	13.0
59.01371	0.7
60.33487	0.5
62.54272	0.5
65.00307	2.3
67.01884	0.5
69.03458	1.8
69.41592	3.3
72.99277	0.4
74.16742	0.4
80.02684	0.9
80.96503	0.9
81.03465	5.2
83.01392	8.1
85.02959	0.5
93.03431	1.1
95.05032	15.3
97.02964	5.5
98.03748	0.8
107.01394	1.3
119.05043	0.7
122.03753	1.4
125.02453	100.0
126.02780	2.8
128.57664	0.5
135.04457	0.5
137.02460	0.7
137.06093	18.7
138.06416	0.8
151.00360	1.5
153.05586	1.6
155.14478	0.7
161.02461	0.6
163.04053	2.4
193.15994	2.8
195.13896	2.2
211.17001	1.4
217.15982	1.2
219.13901	1.9
220.14661	0.5
235.17064	1.3
237.14983	1.6
238.39191	0.5
259.16998	0.6
277.18143	0.8
301.00906	0.5
303.15991	4.7
304.16492	0.5
321.17090	94.5
321.20441	4.0
322.17383	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40654	0.3
59.01366	1.0
62.32233	0.2
63.02389	0.6
64.79182	0.3
65.00327	2.4
69.03450	0.3
69.72533	0.8
69.72942	0.8
83.01418	0.5
89.00335	0.4
91.01903	0.5
95.01397	4.0
95.05037	0.5
97.02959	1.2
103.00309	0.3
107.01382	0.3
111.00893	0.5
111.04520	0.7
121.02976	0.3
123.00900	2.4
124.01671	23.1
125.02539	1.6
135.04514	1.2
137.02448	1.3
138.03226	1.2
139.04021	23.4
140.04346	0.8
149.99586	0.6
151.00377	3.1
152.01166	25.5
153.01529	1.0
165.01927	3.8
166.02737	6.5
167.03461	0.6
179.03510	14.0
180.03989	1.1
190.41945	0.3
191.10800	0.9
193.05099	1.9
207.06631	0.7
221.08234	1.3
235.09767	3.8
236.10411	0.5
245.15457	1.2
247.09833	0.8
249.11455	1.3
261.11307	0.8
275.13083	0.3
277.14365	1.2
277.17773	0.6
279.12454	0.8
289.14462	3.6
290.14755	0.6
305.14020	2.1
306.14389	0.5
321.13675	5.4
321.17059	100.0
322.13931	0.5
322.17389	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	321.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24002	0.2
55.01882	0.3
57.03452	5.0
59.01382	0.4
63.08438	0.2
65.00320	0.5
69.03455	0.5
69.72602	1.1
71.05024	6.3
72.05368	0.2
77.03963	0.5
79.01897	2.8
80.02692	0.4
81.03471	0.4
83.01380	0.4
83.05038	1.0
93.03448	0.7
95.05029	12.7
96.05379	0.4
97.02956	3.8
97.06590	1.8
107.05029	0.4
109.02934	0.3
109.06599	0.7
111.08188	0.2
121.02960	2.3
121.06588	0.4
122.03772	1.7
123.08202	0.5
125.09756	0.3
135.04526	1.4
135.08189	0.2
136.05296	0.8
137.02432	0.3
137.06041	0.4
137.09753	0.2
138.03235	0.2
139.04018	22.4
140.04359	1.0
148.05334	0.2
149.06088	0.3
149.09633	0.2
162.03282	0.3
163.07652	0.2
163.11336	0.3
165.01929	2.5
166.02689	0.5
176.04745	0.3
179.03534	0.2
179.14392	0.3
180.04276	0.4
181.12328	0.2
193.05092	0.3
193.16035	0.2
203.14435	0.3
205.16019	0.3
212.42902	0.2
217.15941	1.3
219.13870	0.2
221.08257	0.2
221.15462	0.3
223.13379	1.3
233.15437	0.5
235.17044	2.3
241.15912	0.3
249.14766	0.2
259.17023	4.0
260.17307	0.5
262.15732	0.5
275.16727	0.4
277.18100	5.6
278.18417	0.5
303.16196	0.9
321.17065	100.0
322.17407	11.8
322.21259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	9.4
69.51659	1.1
69.52085	2.6
69.67228	0.4
80.96529	1.0
81.03477	2.5
83.01398	10.8
85.02958	0.5
90.80724	0.4
97.44341	0.4
101.68732	0.6
103.65512	0.4
104.52120	0.5
107.01447	0.8
116.65726	0.4
121.02937	0.9
123.04570	1.6
125.02460	100.0
125.15541	0.4
126.02796	3.2
128.50192	0.4
128.81891	0.4
149.02478	1.9
151.00359	1.1
167.03506	1.8
176.48749	0.5
195.13936	5.6
293.72119	0.5
303.15970	0.7
321.17117	6.5
321.20813	2.8
322.17661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86943	0.3
55.01882	0.4
57.03453	3.1
59.01379	0.8
69.03462	0.3
69.45668	2.3
71.05020	1.0
73.38334	0.4
79.01904	2.0
80.02682	0.5
81.03467	0.6
85.06589	2.0
87.87421	0.3
91.46062	0.2
93.03472	0.3
95.05019	0.7
97.02966	0.8
97.06596	1.1
99.08171	2.9
107.05032	0.8
109.02966	0.3
109.06593	1.9
111.04523	2.0
111.08170	0.4
121.06593	0.8
121.44128	0.3
123.04512	0.3
123.08170	13.3
124.08478	0.5
125.02434	0.3
135.04529	1.3
135.08154	0.7
136.05324	0.3
137.09708	0.5
138.03252	0.3
149.06099	2.0
150.06818	0.3
151.07658	0.6
152.04776	1.0
153.05582	6.5
154.06013	0.3
163.07596	0.9
163.11258	0.5
164.08467	0.3
165.09286	0.7
167.07152	13.0
168.07518	0.8
177.12888	0.4
179.03508	1.1
180.04289	0.8
193.05075	1.8
203.14394	0.6
205.16069	0.4
234.12787	0.4
235.17017	0.4
241.16019	0.3
247.17064	2.0
259.17053	3.7
260.17365	0.4
262.16037	0.3
275.16513	0.4
277.18130	3.6
278.18558	0.3
291.15845	0.4
303.16101	0.9
321.17081	100.0
322.17435	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00605	2.7
59.01381	91.4
70.08407	5.3
70.08812	2.7
71.01389	47.4
71.10640	1.4
72.99303	7.6
73.02945	2.3
74.02460	4.0
74.99088	1.6
78.46178	1.3
79.95744	4.1
80.02667	1.9
83.01403	4.0
85.02951	10.6
85.36945	1.7
87.00864	3.2
89.02453	51.1
90.02832	1.7
91.01897	14.6
95.01414	4.7
95.95203	1.6
96.04562	1.4
96.96017	56.0
98.20505	2.3
99.00853	1.6
101.02447	34.2
107.82907	1.6
108.02184	4.6
108.04539	3.1
113.02460	19.3
113.09705	3.0
119.03516	22.7
123.00859	1.9
125.02433	2.2
135.00890	40.2
141.09232	14.5
143.03560	3.1
152.01135	3.4
152.03572	4.1
159.10266	5.0
169.01343	2.6
175.81108	1.5
179.05627	2.1
187.00694	2.0
214.96564	5.7
220.24890	1.6
242.05838	6.7
245.00824	2.9
261.00504	1.8
307.92795	2.0
321.02878	2.8
321.06461	8.9
321.10104	21.0
321.15494	100.0
322.09711	4.1
322.15973	7.1
331.21445	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	321.1708
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.01879	0.6
57.03455	2.8
57.51678	0.5
59.01387	3.3
60.18092	0.4
65.00320	1.0
66.64003	0.5
71.05027	7.6
79.01895	2.6
81.03455	1.7
83.05029	1.1
85.06602	0.6
93.03488	1.0
95.05035	17.3
96.05370	0.5
97.02972	3.3
97.06594	2.7
109.06606	1.6
111.08148	0.9
121.02960	1.5
122.03767	1.0
123.04554	0.9
123.08154	0.7
125.02486	2.0
125.09754	6.9
135.04579	0.8
137.06126	0.5
139.04027	18.5
140.04407	1.0
140.07570	0.5
148.05415	0.5
153.05560	1.5
160.98874	1.0
165.01944	2.2
165.12856	0.9
169.01508	0.7
179.14418	1.3
223.13414	1.5
230.04156	0.5
235.17058	1.8
244.80159	0.5
277.18100	19.8
278.18439	1.8
303.11914	0.5
303.15933	1.3
321.17075	100.0
322.17413	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	321.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11566	0.5
54.33152	0.7
56.21727	0.6
57.03450	0.7
57.69516	0.5
59.01383	100.0
60.01724	1.1
70.28618	0.5
79.01895	1.5
79.95744	1.2
81.03478	0.7
89.00352	0.7
95.05042	1.4
97.02959	0.8
98.20638	1.6
99.00919	0.8
105.03426	0.9
107.01418	0.6
107.05037	0.7
111.04530	1.8
116.83776	0.5
121.02959	0.7
123.04549	1.1
124.01701	0.7
125.02464	2.2
135.04541	0.8
136.01678	0.7
137.02509	2.7
138.03241	12.7
139.04042	3.3
147.08170	7.9
147.20731	0.7
149.06107	1.0
151.04024	2.9
152.04808	1.3
153.05582	24.2
154.05914	1.3
154.49034	0.6
157.06639	0.5
160.98825	0.8
161.02449	0.6
161.09740	1.3
163.03873	0.7
164.01166	2.0
164.04787	2.4
165.01923	4.5
165.05542	1.3
166.02724	23.2
167.03189	0.7
173.06070	0.9
175.04016	2.3
177.01909	1.0
177.05566	0.8
179.03500	15.1
179.07129	4.5
180.04097	1.4
185.09729	7.3
187.07701	0.7
189.05565	2.6
190.06337	0.7
191.03476	4.5
191.07120	0.9
192.04251	2.5
193.05058	7.9
193.17503	0.5
194.05539	0.7
201.05559	0.7
201.09236	2.0
205.04962	1.0
205.08698	1.1
207.06624	5.6
210.41495	0.6
217.12343	10.7
219.06606	0.6
219.10243	0.7
229.08699	10.2
230.09024	1.3
231.06633	0.8
246.08919	4.0
247.09727	1.1
254.98564	0.6
261.11319	79.6
261.87405	0.6
262.11658	6.1
277.18109	2.9
321.13434	78.6
321.17093	26.4
322.13800	6.1
322.17511	2.7
322.23849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08332	0.8
57.03452	5.2
59.01384	37.2
65.00326	1.9
69.71090	4.7
81.03467	17.8
83.01410	2.4
83.05003	0.9
91.98291	0.6
98.20602	1.6
107.01387	2.4
122.03735	2.8
123.04555	5.3
125.02448	15.5
135.08182	2.0
151.00363	2.6
151.11311	1.1
152.01132	1.1
167.03499	0.7
175.11256	2.0
177.09221	1.3
193.12357	1.3
205.15871	1.4
217.12340	24.7
218.12585	1.0
235.13347	1.5
237.11278	1.0
243.10403	1.2
245.20192	0.8
247.17012	6.5
261.11322	33.8
262.11578	3.5
277.14468	11.6
278.14905	0.8
279.12332	3.5
321.13388	100.0
321.17084	30.1
322.13916	8.3
322.17441	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34905	0.6
50.59430	0.6
59.01382	100.0
67.29496	0.7
69.26922	6.8
69.27258	1.0
71.01367	3.1
89.02444	3.9
90.39565	0.8
96.96011	10.0
101.02460	2.2
113.02448	1.1
119.03524	1.7
139.03447	0.6
139.29443	0.6
154.03082	0.6
207.94794	0.7
242.18689	0.7
310.96106	0.6
321.06830	1.2
321.10223	4.0
321.13446	1.1
322.01352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46904	0.3
57.03454	11.1
59.01384	0.8
63.02395	0.6
65.00333	1.0
69.10301	0.3
70.22133	1.3
75.08755	0.3
81.03459	2.3
83.01392	6.8
85.02960	7.5
91.01952	0.4
93.03484	0.4
94.06393	0.3
95.01419	0.3
107.01396	1.3
113.51685	0.3
121.02979	0.4
123.04532	5.1
125.02457	100.0
126.02789	2.5
147.00851	0.4
151.00349	1.6
164.01059	0.3
167.03528	7.2
190.02719	2.3
191.03555	0.4
193.12358	2.5
202.99995	0.6
230.99300	0.4
251.16307	0.3
319.15543	31.6
319.18848	1.3
319.22583	3.2
320.15863	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	319.1551
Annotation	Zearalanone
Peak:m/z	Relative Intensity
50.50909	0.3
57.03453	2.5
59.01378	0.7
63.02386	0.7
65.00329	4.4
67.01885	0.5
67.58188	0.4
69.85360	1.8
74.48241	0.3
81.03456	8.8
83.01395	4.4
83.06856	0.4
84.08847	0.4
85.06607	0.7
93.03427	0.4
94.20600	0.3
95.01389	0.6
95.05028	2.0
107.01405	4.7
107.05039	2.3
108.02234	0.8
109.02955	0.8
109.06599	0.5
111.00900	0.9
120.28447	0.4
121.06596	1.0
121.10219	1.6
122.03735	1.7
123.04529	13.1
124.01640	1.8
125.02453	11.7
131.05014	0.6
133.02953	0.5
135.04521	0.6
137.02457	2.2
138.03293	0.4
145.06638	0.6
149.02452	0.5
149.06082	4.0
151.00372	12.6
151.07523	0.5
152.01062	1.4
161.09718	1.8
162.06836	0.5
163.07628	0.8
166.02693	3.6
167.03481	2.6
173.06094	1.4
173.83638	0.4
174.03267	0.7
177.01949	0.8
179.03502	1.5
184.83975	0.4
185.09642	0.3
188.08372	0.5
190.02727	0.5
192.04292	4.0
193.04895	0.4
202.99825	0.3
203.10805	1.9
219.13867	0.8
229.08771	1.0
235.13371	1.0
247.09767	2.7
259.09702	0.6
263.12912	0.4
275.16510	1.6
276.81006	0.4
277.14719	0.4
285.01935	0.4
287.83932	0.5
300.96606	0.4
301.14426	1.0
319.15503	100.0
320.12030	0.6
320.15863	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87231	0.4
54.55008	0.4
57.03450	4.4
59.01374	1.6
65.00328	1.8
68.84363	0.5
69.03445	1.6
71.05013	1.6
79.95756	0.7
81.03468	16.7
83.01418	2.4
83.05031	2.1
83.33453	0.5
88.35607	0.4
93.03439	0.9
95.05022	3.3
97.02982	1.1
97.06607	1.3
107.01408	0.7
107.04984	0.8
109.06603	0.9
118.05280	0.5
122.03774	1.3
123.08147	1.8
124.01667	0.7
125.02452	23.1
135.04492	1.0
137.09694	0.8
139.04027	7.1
140.04425	0.5
151.00385	1.8
152.01239	0.6
153.05505	1.2
165.12856	0.8
166.02631	0.5
176.20300	0.5
178.13289	0.5
179.03461	1.0
191.14384	1.6
193.12352	1.4
202.99779	0.8
205.15987	1.7
207.13800	0.7
209.15517	0.5
215.14482	0.9
217.12294	0.6
230.99329	1.2
233.15471	8.1
234.15927	0.8
235.13396	1.5
246.98875	1.3
247.16985	3.5
257.15399	0.8
275.16528	5.1
291.16159	1.3
300.95905	0.7
301.14474	0.7
319.15509	100.0
320.15854	10.2
320.19150	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	319.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65620	0.6
57.03468	0.6
59.01395	0.8
65.00324	0.6
71.05032	4.3
77.04015	0.9
78.09278	0.5
79.01897	6.8
81.37118	0.6
83.01425	1.1
93.03508	0.8
95.05036	14.1
97.02980	4.4
98.19836	1.5
121.02982	6.4
122.03755	1.5
127.32618	0.6
137.02509	1.0
138.03270	1.2
139.03041	0.5
139.04013	12.8
165.01958	9.8
166.02654	2.1
202.06252	0.8
221.15475	2.2
233.19084	2.4
273.18454	0.8
275.20166	17.7
276.20605	1.2
301.18021	1.3
319.19156	100.0
320.19513	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	319.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.5
65.00330	2.7
69.03465	1.0
72.87385	0.3
83.01403	1.1
83.98837	0.3
85.03008	0.3
89.00404	0.4
89.67159	0.3
91.01907	0.6
93.03471	1.3
95.01396	4.9
96.04178	0.3
97.02948	1.4
98.19823	0.6
107.01395	0.7
111.04527	2.7
121.02959	0.7
123.00919	1.5
123.04485	0.6
124.01673	11.8
125.02438	0.9
135.04536	2.9
137.02426	2.5
138.03244	2.1
139.04024	10.9
140.04356	0.4
149.99580	0.6
151.00388	4.9
151.04010	1.2
152.01158	11.0
164.01128	1.3
165.01929	5.2
166.02733	10.2
167.03024	0.5
179.03505	50.2
180.04155	3.7
193.05069	0.8
203.10690	0.8
212.03215	1.7
223.14995	0.3
233.08229	1.1
234.08957	0.5
243.17438	0.6
247.09740	7.4
248.01645	0.3
248.10110	0.9
261.11188	0.6
275.12787	0.4
304.16727	0.5
306.23328	0.3
319.19144	100.0
320.19473	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	319.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48034	0.3
52.87057	0.4
53.30267	0.3
56.06628	0.3
58.24139	0.4
63.02391	0.5
64.99990	0.8
65.00328	10.6
80.70296	0.4
83.01399	0.6
83.52609	0.3
89.00327	2.0
91.01895	2.6
92.26129	0.3
93.03448	1.0
95.01416	1.8
95.05042	0.8
97.02959	6.7
107.01385	0.9
108.02188	0.8
109.02979	0.8
111.00870	0.5
119.05044	0.6
121.02957	3.7
123.00867	0.6
124.01675	8.4
133.02956	0.4
135.00874	0.6
135.04440	0.4
137.02454	11.0
137.06079	1.0
139.04021	8.4
147.04599	0.5
149.99596	2.6
150.03221	0.6
151.00400	1.9
152.01163	5.2
163.00423	0.4
163.04037	1.4
165.01939	46.5
166.02423	2.5
177.01938	38.5
178.02293	1.8
183.02995	0.9
191.03508	3.0
205.05083	5.5
206.05821	0.4
215.38074	0.4
233.08292	0.9
247.09845	0.7
261.11194	0.5
303.15955	0.8
304.16919	0.5
319.19153	100.0
320.19470	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	319.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.54171	0.5
65.00332	0.6
68.13650	0.5
71.05032	3.8
79.01896	2.1
81.03461	4.1
83.01387	1.1
93.03472	1.0
95.05032	11.2
97.02964	1.4
110.56535	0.5
120.63815	0.5
121.02943	1.5
122.03730	2.1
123.04524	1.9
125.02438	2.1
135.04556	0.8
137.06087	6.7
138.85745	0.5
139.04013	11.0
139.48361	0.5
144.82268	0.6
149.06065	1.1
165.01926	2.1
166.02725	0.7
167.03435	0.6
176.04660	0.7
179.03464	0.9
193.05078	0.6
207.37242	0.6
221.15491	1.9
230.14232	0.6
235.17043	0.6
255.65450	0.5
265.28055	0.6
275.20163	29.3
276.20547	2.9
277.69128	0.6
319.19138	100.0
320.19482	9.9
340.68854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01382	1.1
62.50439	0.5
65.00316	2.0
67.53233	0.5
70.93764	0.6
70.94100	1.1
71.05006	2.3
79.01896	4.6
81.03448	5.5
81.91128	0.6
83.01391	1.8
85.02969	0.8
89.00326	0.7
93.03418	0.6
95.05030	9.9
97.02954	2.1
107.01381	0.8
109.02929	0.6
110.15925	0.6
121.02970	2.9
122.03721	1.1
123.08189	1.6
125.02451	1.8
137.02489	0.6
138.03217	1.0
139.04027	7.1
148.05286	1.0
149.06094	0.8
151.00389	2.7
153.77356	0.6
164.55313	0.5
165.01947	5.4
166.02679	0.8
167.07166	1.7
179.03450	0.7
180.04333	1.5
205.15785	0.6
221.15511	1.6
228.97957	0.6
230.99452	1.0
232.78009	0.5
233.19072	3.2
235.16997	1.1
275.20157	23.5
276.20554	2.6
301.18069	1.5
319.19135	100.0
320.19531	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	321.0253
Annotation	Digallate
Peak:m/z	Relative Intensity
59.01095	0.5
59.01384	9.8
67.01878	0.5
67.72109	0.3
69.03452	1.2
74.99101	0.5
79.01892	0.5
79.95745	1.0
81.03455	1.0
87.00887	0.3
95.01407	0.5
96.96018	4.9
97.02961	1.4
98.20591	0.8
98.95586	0.4
99.04523	3.4
108.16752	0.3
111.00935	0.3
113.02433	0.5
119.05022	1.4
124.01659	0.7
125.02453	57.0
125.59311	0.3
126.02795	1.5
136.99115	0.4
137.02448	0.4
138.40102	0.3
163.04054	0.3
169.01433	100.0
170.01767	3.0
174.76971	0.3
175.97838	0.4
189.05611	0.5
192.04333	0.4
229.05986	0.3
233.04619	0.4
277.03406	0.5
277.07449	0.4
309.13803	0.3
321.02524	1.5
321.06445	1.4
321.10110	0.8
329.87277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.1
59.97821	0.5
69.03456	1.0
71.01373	2.0
71.37006	1.0
72.97213	0.5
73.02934	0.9
74.99091	1.0
77.39353	0.5
79.95753	2.3
81.03452	0.8
85.02960	1.4
96.96015	54.5
97.02950	1.0
97.06602	0.8
97.76871	0.5
98.60471	0.6
98.95596	0.7
101.02422	1.1
109.02957	0.5
113.02450	0.7
119.05024	15.2
121.06577	2.1
125.02454	16.1
128.11234	0.6
135.08191	0.7
137.09683	0.6
145.06660	2.9
149.09705	0.7
151.07593	3.4
160.04070	0.7
161.09657	1.6
163.07668	4.2
164.07976	0.5
169.01433	25.8
170.01759	1.0
179.10742	2.2
189.01971	0.5
197.11922	1.0
241.10831	41.8
242.11194	2.7
247.35516	0.6
284.17792	0.5
310.94205	0.6
321.06482	100.0
322.06836	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	321.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56939	0.6
57.03450	3.4
59.01384	36.0
65.00320	2.7
71.36497	1.2
78.53646	0.6
81.03465	18.1
83.01382	2.5
95.05018	1.0
107.01434	1.6
109.06633	0.6
122.03732	2.9
123.04522	5.1
124.01664	1.2
125.02455	13.2
135.04524	1.1
135.08162	1.7
147.83936	0.6
151.00345	2.2
151.11284	1.0
162.03236	0.9
166.02713	0.9
167.03543	1.4
175.11244	0.8
177.09201	2.2
179.03534	1.1
205.16055	1.3
217.12346	28.0
218.12688	1.8
235.13376	1.2
247.17076	6.5
261.11325	44.7
262.11597	2.7
277.14450	10.0
279.12405	2.4
321.13370	100.0
321.17062	25.2
322.13739	9.9
322.17401	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	321.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18567	0.7
55.01886	0.8
55.49977	0.7
59.01384	100.0
60.01723	0.9
69.71069	4.9
79.01876	1.9
79.95775	1.0
95.04996	2.0
98.19944	1.1
99.00868	0.7
103.01942	0.8
105.03476	0.8
107.05006	0.9
111.04536	1.5
111.94938	0.8
125.02478	1.9
135.04547	1.9
136.01633	1.1
137.02440	2.2
137.29681	0.9
138.03232	11.9
139.03987	3.3
139.11343	0.9
147.08168	7.3
149.06038	1.3
150.03363	0.9
151.03981	3.7
152.04814	1.0
153.05583	23.2
154.05963	1.1
161.09692	1.5
164.01202	1.8
164.04797	2.8
165.01889	4.2
165.05525	1.9
166.02724	22.8
167.03148	1.3
175.04021	2.2
175.07602	1.0
179.03514	15.8
179.07080	5.0
180.04251	1.5
185.09692	7.2
189.05531	2.5
191.03535	7.0
192.04283	1.3
193.05080	8.3
195.22311	0.8
201.09267	2.3
205.05179	1.2
205.08644	1.2
207.06638	6.4
214.06400	1.6
217.12369	10.4
218.09566	0.8
229.08685	13.5
230.09033	1.3
243.10207	1.0
246.08908	4.7
247.09666	1.9
261.11322	83.5
262.11578	6.5
272.20682	0.9
277.18164	2.1
321.13400	85.2
321.17081	24.4
322.13763	9.6
322.17511	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	319.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03443	1.6
59.01381	2.7
61.33956	0.4
69.03448	1.7
71.01363	0.6
71.05025	2.1
73.02967	2.1
73.72917	0.4
79.01897	3.3
81.03461	2.1
83.05025	2.2
85.06594	8.1
86.85075	0.4
87.95341	0.4
91.05538	0.8
93.03429	0.5
95.05039	0.9
97.02974	2.2
97.06599	1.0
98.20726	0.7
107.05037	1.4
109.06596	17.5
110.06924	0.4
111.04535	5.2
111.08195	0.9
111.63071	0.4
123.04521	0.6
125.02448	2.8
135.04524	2.3
137.06157	0.4
137.09726	1.0
138.03165	0.7
140.04321	0.5
147.08151	0.5
149.06166	0.6
151.04037	1.1
153.05582	47.7
154.05954	2.1
161.09685	0.5
162.06886	0.6
163.07716	0.8
163.11292	0.6
165.09221	3.5
175.11320	0.6
177.12804	0.7
179.03520	2.1
179.10776	0.6
180.04187	0.8
191.14412	1.3
201.12895	2.0
202.99905	0.6
203.10748	0.5
219.13821	2.4
230.99287	0.5
231.13921	0.5
246.98773	1.1
247.17041	2.3
257.15244	0.5
275.16580	2.2
279.44846	0.5
291.16089	1.7
301.14536	0.6
319.15506	100.0
320.15817	9.4
320.19043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	Agallochin H
Peak:m/z	Relative Intensity
57.03452	3.7
58.03787	0.1
59.01381	1.8
61.37181	0.1
85.02955	100.0
86.03278	2.1
98.20641	0.3
99.04541	0.2
135.04489	0.3
217.01331	0.2
231.17538	0.2
275.20154	1.4
307.01581	0.2
316.99332	1.1
317.21213	27.2
317.99731	0.2
318.21555	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	319.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
69.48572	1.2
69.48898	0.2
71.01379	0.2
75.09574	0.1
79.95753	1.3
90.17736	0.2
96.96014	100.0
97.95934	0.4
122.27854	0.2
122.28731	0.2
141.49750	0.2
159.05055	0.1
167.03552	0.3
172.83344	0.2
179.07132	0.4
195.10428	0.2
239.09477	0.3
319.04956	9.1
319.08551	1.0
320.05206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0493
Annotation	N-Sulfonyloxy-PhIP
Peak:m/z	Relative Intensity
59.01385	28.2
70.91547	0.9
70.91880	1.0
71.01385	1.9
72.99326	0.5
73.02949	2.0
79.95743	48.4
80.96527	7.1
85.02906	0.8
87.00879	0.9
89.02474	0.7
96.96021	24.4
118.98086	0.6
119.03494	0.5
120.99650	1.0
121.02980	3.0
123.04508	0.6
124.01701	0.6
125.02477	1.7
135.04552	0.7
137.02428	1.6
139.07661	0.9
157.08704	2.1
160.05199	0.6
161.02414	0.6
162.06918	3.3
164.04837	2.9
169.01439	1.1
175.97865	3.1
177.09271	2.2
179.07146	31.8
180.07521	2.2
185.05984	0.6
192.04297	3.1
231.03011	0.8
239.09256	9.8
240.09549	0.8
246.02019	1.4
257.04932	2.4
259.02823	5.7
275.02087	0.6
275.05563	0.9
319.04950	100.0
319.13846	3.1
320.05295	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	319.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89492	0.2
59.01345	0.3
73.70440	0.2
79.95745	1.8
96.96017	100.0
97.95948	0.4
109.55283	0.2
120.24733	0.2
142.52328	0.2
162.74625	0.2
167.10791	1.9
168.11044	0.2
201.41698	0.2
221.15425	0.4
239.16544	2.1
249.46904	0.2
319.12204	34.6
320.12485	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01878	1.3
57.03456	4.5
58.00582	2.7
59.01384	61.4
69.88583	3.7
71.01387	34.9
72.99298	3.9
73.02959	4.6
83.01395	3.4
85.02957	7.8
87.00867	1.9
89.02450	32.7
93.03462	1.0
93.07088	0.6
95.01395	3.1
96.96017	11.3
101.02451	22.4
109.02919	1.6
113.02462	12.5
119.03507	13.2
121.02940	1.2
125.02454	21.6
126.02825	0.9
131.03528	1.1
135.04500	1.0
137.02446	3.1
137.97971	1.1
139.04018	1.5
139.06593	1.2
139.07657	17.9
143.03564	1.4
147.00876	1.9
149.02556	0.7
151.00366	3.0
153.01949	1.8
157.08691	3.4
158.09004	0.7
161.02451	2.7
161.04469	1.0
164.01112	2.0
165.01910	6.4
167.03467	1.9
169.73485	0.7
175.00349	5.3
178.99840	2.1
179.05551	0.9
187.03841	0.8
191.03490	2.4
193.01405	22.5
194.01791	0.9
195.10248	1.1
197.04524	2.0
215.03474	2.0
230.99313	1.0
233.04663	1.0
239.09338	0.9
257.04636	1.9
287.05524	0.8
301.03619	1.9
301.12949	1.0
319.04840	3.3
319.13986	100.0
320.14371	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	317.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.8
65.00323	9.5
66.33197	0.4
67.48606	0.3
68.42915	0.4
70.08503	0.9
70.08918	0.9
76.44668	0.3
83.01389	0.7
85.02938	0.8
89.00332	2.5
89.81004	0.4
91.01917	2.4
93.03477	0.7
95.01385	2.3
96.02193	0.5
97.02956	7.2
98.20608	0.7
107.01408	0.6
109.02960	1.0
111.00822	0.5
121.02960	3.7
122.03770	0.6
123.00883	1.2
124.01667	18.7
125.02382	0.6
135.00932	0.5
135.04539	1.3
136.01671	0.4
137.02438	11.6
138.03201	0.8
139.04018	11.8
143.95853	0.4
145.02994	0.4
147.04538	0.5
149.02472	0.5
149.99574	2.6
150.03239	1.7
151.00351	2.2
151.03990	0.5
152.01158	18.8
153.01498	0.7
163.04039	2.2
165.01936	44.4
166.02725	4.9
177.01926	10.5
178.02373	0.4
179.03488	8.6
180.04089	0.6
183.01489	0.4
183.03004	0.7
191.01933	0.7
191.03503	8.2
193.05016	0.4
205.05051	0.9
245.08270	1.3
259.09711	0.7
273.11322	1.9
285.14682	0.5
301.38055	0.3
302.15121	0.8
317.17569	100.0
318.17935	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	317.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54856	0.3
62.50935	0.3
69.65543	1.7
85.02947	1.5
85.03773	0.3
98.20694	0.3
117.03471	7.7
124.01690	1.9
125.02434	0.4
135.04483	0.4
147.00856	0.8
149.02434	0.4
151.00356	1.8
161.02457	9.9
162.03253	1.7
175.03963	1.8
177.01907	0.6
189.01941	0.6
189.05701	0.3
190.02716	6.8
203.03505	8.5
203.07092	0.3
204.04265	3.4
217.05083	2.4
217.08665	0.5
218.05611	0.3
230.16776	2.9
231.06680	1.6
232.07198	0.6
245.08171	1.7
246.08784	0.4
259.09729	1.8
260.10193	0.4
273.11359	0.9
274.15741	11.2
275.16110	1.1
287.12872	0.5
302.15240	6.1
303.15735	0.6
316.99298	2.1
317.17569	100.0
318.14142	0.5
318.17914	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	317.2123
Annotation	Divinylether polyneuric acid
Peak:m/z	Relative Intensity
59.20555	0.9
59.84958	1.0
65.00324	2.1
68.73325	1.1
69.03483	1.3
75.27890	1.4
81.03454	2.1
83.05026	3.0
85.02961	6.0
95.05067	1.8
95.05699	1.2
97.02934	1.5
97.06569	3.6
107.01404	1.2
123.08163	1.8
124.01648	4.7
135.04518	1.7
137.02405	2.3
139.04004	3.0
152.01175	6.4
163.03931	1.5
165.01923	12.4
166.02678	1.5
177.01910	3.7
177.16479	1.5
178.20335	1.1
179.03496	1.3
181.01425	1.6
181.48549	1.4
191.03485	3.2
204.04167	3.4
233.19077	11.7
234.19440	1.3
250.20387	1.2
255.21075	2.9
273.22266	57.1
274.22470	5.9
275.20120	14.2
280.08044	1.1
316.99487	9.2
317.17517	52.4
317.21179	100.0
317.99402	1.3
318.17844	4.9
318.21481	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	315.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
61.06539	1.0
62.32018	0.9
65.00318	4.1
68.46165	1.2
69.84901	4.8
77.04206	0.9
80.26656	0.8
81.03473	1.0
83.05049	4.8
85.02962	2.6
93.03447	1.6
95.05041	1.5
97.02934	2.9
97.06579	3.4
109.06600	1.0
111.08156	3.6
114.93342	1.0
123.08147	1.4
124.01660	6.9
136.67856	1.0
137.02451	5.2
137.09753	1.4
139.04048	5.0
151.00386	1.1
152.01163	6.2
159.00911	1.0
163.03966	1.1
163.11287	1.4
165.01938	14.3
166.02675	2.5
177.02003	5.2
179.03477	2.2
180.27565	0.9
181.05005	1.1
187.00209	1.0
191.03589	2.3
193.05130	1.3
201.36049	1.2
205.05115	1.1
215.00003	1.3
219.06418	1.1
231.17531	5.3
253.19637	3.5
269.16415	0.9
271.20706	39.0
272.20950	4.2
272.23721	1.2
273.18661	8.6
286.98340	1.5
300.02884	2.2
314.97830	3.9
315.05057	1.7
315.15988	41.0
315.19635	100.0
316.16266	4.1
316.19980	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	315.2541
Annotation	(9R,10R)-Dihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
58.00620	0.5
69.46081	3.0
79.60710	0.3
85.02949	1.4
98.19872	0.6
125.09757	1.0
127.11313	3.5
141.12889	4.4
143.10770	1.5
146.64374	0.4
153.12849	0.3
155.10809	1.7
157.12299	0.5
159.00922	0.9
169.12405	0.4
171.10315	4.2
171.13933	1.4
173.55400	0.4
201.11298	1.6
214.99864	0.7
230.99393	1.0
239.23880	0.8
242.99185	0.4
279.23306	2.6
283.22928	0.5
286.98358	1.2
295.22876	1.2
297.21021	0.4
297.24359	8.7
298.24805	0.6
299.99377	0.6
300.02753	2.0
311.22357	0.6
313.23859	9.6
313.27206	0.7
314.24106	0.7
314.97879	2.9
315.25412	100.0
316.25772	10.2
323.58878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45115	0.2
61.07898	0.2
69.30975	1.7
72.94025	0.2
75.20670	0.2
77.03939	0.2
87.00914	0.2
96.96022	0.9
105.03484	0.4
112.98796	0.2
117.03461	0.8
121.02964	0.4
123.04563	0.5
124.01691	0.7
125.02460	0.6
133.02983	1.5
139.04024	0.9
143.01404	0.2
145.02985	2.0
149.02441	0.9
151.00369	0.3
159.00903	0.7
161.02467	3.7
163.04012	0.9
165.01903	0.5
169.01459	0.4
169.05081	0.2
171.00856	1.3
173.02449	1.2
174.52257	0.2
175.00357	0.3
177.01903	1.0
179.03461	0.3
185.11800	0.6
187.00359	1.3
188.01053	0.5
189.01955	4.8
190.02197	0.3
193.01416	0.3
199.00369	0.7
200.01134	0.5
201.01877	0.8
202.99832	0.2
205.01407	1.9
214.99873	1.9
216.00528	0.5
217.01480	2.3
226.99965	0.5
229.01398	0.4
232.00298	0.5
233.00981	1.1
241.03561	0.4
242.99336	2.5
243.99884	0.5
245.00928	2.7
261.00372	0.9
270.98853	3.2
271.99289	0.3
273.00406	0.7
288.99438	0.5
298.98352	2.1
299.99152	2.1
314.97281	0.2
315.98615	3.2
316.99384	100.0
317.99731	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67259	0.5
59.01386	0.5
63.02388	0.9
65.00321	2.8
68.99831	0.5
69.03455	1.6
83.01396	1.3
84.34222	0.4
85.02959	3.8
93.03470	1.0
95.01377	5.5
95.05042	0.7
97.02953	2.1
98.84003	0.5
105.27826	0.5
107.01361	0.9
111.00900	0.5
111.04563	2.6
111.05206	0.5
117.29926	0.4
121.03016	0.6
123.00874	2.5
124.01671	13.5
125.02428	2.0
135.04535	4.3
137.02441	3.1
138.03209	1.4
139.04016	10.5
149.99532	0.6
151.00395	6.6
151.04027	1.4
152.01161	11.2
153.01503	0.4
164.01212	1.1
165.01952	5.7
166.02734	10.8
167.03127	0.5
179.03513	46.8
180.04123	3.8
181.01563	0.6
187.40881	0.5
188.50798	0.5
193.05101	1.3
198.23718	0.4
198.46468	0.5
204.75490	0.4
212.03284	1.5
229.12358	0.6
233.08231	0.6
242.84514	0.5
245.19084	4.9
246.19501	0.4
253.41399	0.6
273.11377	9.7
273.18774	0.5
274.11685	0.9
287.12863	0.6
292.64896	0.5
302.15344	0.9
303.15878	0.7
316.99240	2.3
317.17593	100.0
318.17941	11.1
325.89450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79004	0.3
69.28180	2.9
70.79369	0.2
79.95761	1.8
92.14110	0.3
96.96018	100.0
97.96025	0.4
98.19855	0.6
137.78461	0.3
169.01392	0.2
179.55034	0.3
186.01303	0.4
220.25487	0.3
316.99710	1.3
317.10657	27.8
318.10999	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	317.1066
Annotation	Pandangolide 2
Peak:m/z	Relative Intensity
59.01380	0.4
59.84717	0.2
60.63761	0.2
69.38106	0.5
69.38516	1.0
76.55898	0.2
79.95742	1.7
96.96020	100.0
97.95962	0.5
98.19851	0.4
98.95615	0.3
109.02928	0.2
119.88920	0.2
125.02502	0.2
178.13985	0.2
245.00826	0.2
257.17487	0.3
316.99506	2.2
317.10635	29.7
317.19870	0.7
318.10944	2.3
328.31137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03451	0.4
64.38792	0.4
65.00321	1.1
69.61815	2.5
71.05020	3.7
77.03992	0.8
79.01896	8.8
83.01369	0.6
93.03463	0.6
95.05035	9.9
97.02975	3.1
98.19892	1.0
98.32764	0.4
107.05062	0.4
109.02950	1.0
109.06614	0.7
121.02963	7.8
121.06593	0.9
121.10246	1.8
122.03735	1.7
125.02434	2.1
135.04572	0.5
137.02440	0.7
137.06096	5.6
138.03265	2.0
138.04196	0.4
138.73749	0.4
139.04022	11.3
140.04379	0.7
147.04550	0.6
148.05263	0.4
149.06117	0.8
151.03999	1.5
151.07664	0.6
159.00876	0.5
162.06943	0.4
163.04047	0.5
163.07654	1.9
165.00514	1.0
165.01932	20.4
165.05598	0.5
166.02686	3.1
171.39058	0.5
179.03511	0.5
180.04274	1.7
181.05077	3.9
189.05598	0.9
191.03490	4.6
193.05122	2.6
206.05862	5.1
207.06517	1.5
214.99782	0.6
217.42755	0.4
229.15776	0.5
230.34004	0.4
230.99431	1.2
271.17020	5.3
286.98581	0.9
297.14893	1.1
300.02670	1.1
314.97885	2.7
315.16016	100.0
316.16376	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	315.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
61.48038	0.9
65.00318	3.3
81.03444	1.8
83.01382	1.1
83.05035	3.7
85.41456	0.8
93.03487	1.1
94.02573	0.7
95.05038	2.7
97.02951	2.5
97.06591	3.0
106.73862	0.8
107.05051	0.9
109.06541	1.5
111.08147	3.0
119.08643	0.8
121.02985	0.8
121.10224	1.0
123.08173	2.3
124.01696	4.5
137.02440	3.4
137.09737	3.2
139.03996	4.4
147.11798	1.2
149.09666	1.6
151.98694	0.9
152.01167	4.8
161.13315	1.0
165.01933	12.2
166.02565	1.7
173.09755	0.9
177.01949	4.5
179.03526	1.4
191.03462	1.0
193.05054	0.8
203.18143	0.8
218.43747	0.8
231.17583	5.5
253.19554	2.8
271.20688	40.4
272.20969	5.0
273.18661	9.8
298.11591	1.1
314.97705	1.0
315.15982	29.5
315.19623	100.0
316.16293	2.9
316.19968	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	315.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
62.28386	0.2
65.00322	0.3
66.00519	0.3
79.95741	13.9
80.96510	0.7
81.91456	0.2
83.38023	0.2
85.06612	0.3
88.80981	0.2
93.03466	0.4
95.95234	14.0
96.96017	18.7
99.44953	0.2
106.18497	0.3
119.30595	0.2
121.67050	0.3
131.01402	0.6
136.98798	0.3
147.00867	0.4
149.99911	0.4
151.00714	11.9
153.05583	0.9
159.00883	1.4
164.01465	0.7
175.00378	0.5
187.00340	1.0
202.99803	0.9
209.15372	0.3
214.99861	1.7
229.05099	0.4
229.24806	0.3
230.99313	3.1
231.99829	0.3
235.06461	1.5
242.99290	0.7
244.06625	0.2
258.98773	0.6
286.98389	3.5
287.01675	0.5
287.09247	0.8
299.99124	3.2
300.02740	2.2
314.97836	9.8
315.01370	2.3
315.12717	100.0
315.98206	0.9
316.01633	0.4
316.09656	0.3
316.13004	7.3
328.17706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03429	1.0
59.01365	1.0
64.14529	0.5
65.00323	2.2
67.01841	0.6
71.05035	4.5
71.06933	0.5
71.61485	0.5
77.03978	1.1
79.01904	8.0
79.30851	0.6
80.02715	0.5
81.03461	1.2
83.01415	1.1
83.05021	0.8
85.02962	1.6
93.03463	0.9
95.05037	10.9
96.05371	0.7
97.02966	3.7
107.05015	0.7
109.02974	1.0
121.02956	6.5
121.06585	0.9
121.10230	1.2
122.03760	2.0
123.00900	0.6
125.02446	1.9
128.75928	0.5
131.01389	1.2
136.98805	0.5
137.02498	0.7
137.06097	6.1
138.03259	1.4
139.00395	0.6
139.04034	11.9
148.50841	0.5
151.04001	1.3
151.07629	0.6
152.69257	0.5
159.00897	1.9
163.07664	1.7
164.01100	0.6
165.01949	18.8
166.02727	3.4
175.00397	0.8
179.03511	0.9
180.04312	2.1
181.05086	4.9
187.00397	0.9
189.05620	0.9
191.03552	3.7
193.05087	3.2
202.99863	1.2
206.05843	4.5
207.06638	1.1
214.99843	2.2
223.40291	0.5
229.15933	0.7
229.18425	0.5
230.99347	3.7
242.99355	0.8
271.17096	6.5
272.17383	0.8
286.98364	4.4
297.14868	1.8
299.99136	1.3
300.02786	4.5
301.03134	0.6
314.97922	8.8
315.01572	1.1
315.05219	2.1
315.16031	100.0
315.98270	0.6
316.16382	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	315.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.76163	0.7
64.96056	0.7
65.00323	11.4
68.71049	0.9
69.63906	5.7
86.17940	0.8
89.00328	1.9
91.01907	2.3
95.01402	2.2
97.02962	8.0
98.20591	1.5
100.89220	0.8
121.02960	5.2
122.03800	1.0
123.00911	2.2
124.01674	21.1
135.04631	0.9
137.02469	11.1
139.04021	12.2
149.99622	2.4
150.03275	1.4
151.00365	2.7
152.01166	17.8
163.04025	1.8
165.01945	48.2
166.02724	4.9
175.03999	0.9
177.01949	12.4
179.03520	5.3
181.05099	4.5
191.03487	7.8
192.04031	0.8
193.05124	1.4
205.05075	2.5
207.06595	1.2
219.06921	1.0
223.80896	0.8
231.06599	1.7
271.20538	4.2
273.18832	1.1
300.02789	1.1
314.97672	1.0
315.16061	100.0
315.19656	11.6
316.16443	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	315.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96030	0.4
61.73923	0.4
63.02400	0.4
65.00324	10.1
65.50124	0.5
69.56448	2.8
69.60598	0.5
83.01399	0.9
83.32463	0.4
89.00347	2.7
90.83755	0.5
91.01905	2.0
94.45508	0.5
95.01405	1.8
97.02964	7.3
107.01503	0.4
108.02193	0.6
109.02957	0.7
119.92252	0.5
121.02940	4.5
122.03814	0.9
123.00906	0.8
124.01661	15.9
125.02451	1.5
135.00818	0.5
135.04526	0.7
137.02451	12.3
139.04021	11.2
140.04324	0.7
149.99586	3.0
150.03235	1.1
151.00320	2.3
152.01160	16.5
161.02457	0.5
163.04021	1.8
165.01939	42.0
166.02699	4.5
175.04146	0.6
177.01941	12.0
177.03496	0.6
178.02353	0.7
179.03508	6.4
180.04213	0.5
181.05060	2.0
191.03508	6.3
192.04102	0.7
193.05046	1.8
205.05086	1.9
231.06596	1.3
250.60474	0.5
271.09674	0.6
271.20734	1.3
285.11398	0.8
299.12766	0.7
315.16028	100.0
316.16409	10.4
316.19998	1.1
328.44846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.3
65.00330	4.3
70.00916	1.8
70.01311	2.1
81.03440	2.2
83.05042	3.6
85.02939	1.7
91.01900	1.0
95.01414	1.3
95.05009	3.7
97.02943	3.3
97.06588	4.7
98.19879	1.7
109.06625	2.0
111.08153	3.9
121.02956	2.7
121.10231	1.0
122.03761	1.4
123.08180	1.3
124.01672	8.7
133.10316	1.0
134.01981	1.0
137.02425	5.2
137.09689	2.7
139.03990	5.6
147.11766	1.7
149.09694	2.3
149.99590	1.6
150.03217	1.3
151.00395	1.6
152.01160	10.8
163.03989	0.9
163.11261	1.9
165.01933	24.3
166.02673	3.5
175.14943	1.7
177.01956	6.9
177.12840	1.1
179.03497	2.9
181.04988	2.2
187.11343	1.1
191.03503	3.1
193.05103	1.2
219.06693	0.9
230.99394	1.9
231.06895	0.9
231.17491	6.6
253.19572	3.4
271.20670	44.2
272.21021	4.1
273.18549	8.4
286.98331	1.6
299.12949	1.4
300.02856	2.4
314.97757	4.1
315.05118	2.3
315.15967	56.9
315.19623	100.0
316.16370	5.2
316.19992	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	315.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72205	2.9
59.01380	13.7
67.01894	3.3
68.63117	2.9
69.72272	18.0
71.01389	8.5
71.05025	4.6
72.99290	3.5
73.02948	3.5
83.01350	3.4
85.02911	3.3
87.00820	2.9
90.19418	2.7
93.03455	3.1
95.01394	16.2
96.96007	6.0
97.02950	8.3
101.02447	4.7
107.01390	6.0
109.02953	22.9
109.86960	2.9
110.02464	10.1
111.00859	3.6
113.02451	5.0
115.35264	2.6
117.04792	4.2
117.05584	73.0
123.00895	51.5
123.04535	41.2
125.02464	52.7
129.03578	3.4
136.04063	42.5
139.00401	15.2
139.04012	3.2
140.01140	6.3
141.01967	4.8
151.00374	11.1
153.01985	24.3
153.04456	5.2
153.05603	82.1
166.99808	15.1
169.01448	61.8
173.02475	4.5
175.97803	3.3
179.05618	2.8
187.00540	2.9
188.83675	3.0
193.01521	3.7
211.02509	6.5
229.01363	7.5
232.03055	5.0
257.01007	4.5
275.01935	8.7
294.04211	3.0
300.99918	24.1
302.03452	6.4
307.02707	11.9
313.05615	7.4
314.97964	4.4
315.01501	5.2
315.07425	26.3
315.53052	4.6
316.03339	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	315.1088
Annotation	Taxicatin
Peak:m/z	Relative Intensity
71.01386	0.4
95.01379	0.5
95.05038	0.6
98.09586	0.2
98.35146	0.3
122.03738	1.0
123.00916	1.1
123.04534	72.1
124.04866	2.7
125.02448	1.0
135.04633	0.3
139.00371	0.4
139.76645	0.3
153.05583	100.0
154.05939	3.8
166.99974	0.4
169.01425	1.4
200.05244	0.3
229.27142	0.5
258.90714	0.3
294.29031	0.3
300.99872	1.2
315.07361	0.6
315.10843	3.1
316.03278	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	315.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.9
65.00317	0.8
69.51136	2.9
81.03480	3.0
83.01394	13.3
85.02964	4.3
86.52081	0.4
93.03487	1.2
97.02977	1.5
105.03477	0.4
107.01382	1.0
108.02225	0.4
111.00913	0.4
119.05035	3.3
120.05366	2.9
121.02937	1.1
121.05695	1.0
123.04523	2.0
125.02455	100.0
126.02795	3.1
149.02446	1.6
150.03030	0.4
151.00369	1.1
159.00938	0.6
167.03505	3.7
168.03883	0.5
178.02760	0.4
179.03062	0.9
180.03177	0.6
184.75121	0.4
187.07695	0.8
189.09215	4.6
191.00168	0.4
193.04956	0.6
194.05385	1.1
195.05602	1.8
225.78891	0.4
230.99373	0.8
286.98334	1.2
289.53818	0.4
291.45450	0.4
300.02792	0.7
300.08075	2.1
314.97714	2.9
315.11551	6.0
315.15970	0.7
315.19662	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	313.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
69.69855	2.5
81.03465	4.0
83.05039	0.7
94.80421	0.4
102.07425	0.4
108.02182	0.8
111.52922	0.4
122.03753	9.4
123.04556	4.6
125.02425	0.5
128.47690	0.4
135.04536	10.5
135.06108	0.5
137.02449	0.9
149.06068	1.3
163.07681	1.7
183.18222	0.4
198.55579	0.5
198.57448	0.5
255.14023	0.6
271.20712	1.9
311.20145	1.6
313.21753	100.0
314.22079	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	313.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67131	0.1
55.01881	0.2
56.14181	0.1
57.03450	1.7
59.01091	0.2
59.01385	3.0
63.02391	0.2
65.00327	1.4
67.01903	0.5
68.99815	0.2
69.03465	0.4
80.02699	0.3
80.74238	0.1
81.03463	41.1
82.03801	0.9
83.01389	1.3
83.05026	2.1
93.03468	0.8
95.01398	0.1
95.05035	0.9
97.02946	0.1
97.06594	0.9
106.04272	0.1
107.05022	0.5
107.08694	0.1
108.02203	0.3
109.02972	0.2
109.06598	0.7
111.04504	0.1
111.08151	0.8
117.03506	0.1
119.05048	0.2
119.90218	0.1
121.02953	0.6
121.06625	0.2
121.10260	0.3
122.03752	4.7
123.04572	1.2
123.08178	0.4
133.06607	0.1
135.04535	3.3
135.08241	0.1
136.05305	0.4
137.06068	0.2
137.09746	0.5
147.08131	0.2
149.06100	0.8
149.09755	0.2
150.03197	0.2
151.07600	0.2
151.11247	0.1
154.02719	0.1
161.09779	0.2
163.07643	0.8
163.11337	0.1
168.04323	0.2
173.09705	0.1
175.07671	0.2
175.11296	0.3
175.15012	0.2
177.09251	0.6
177.16551	0.1
185.00758	0.2
187.11316	0.1
191.10785	0.3
205.12321	0.4
215.10727	0.1
215.14359	0.4
217.12309	0.3
219.13826	0.2
229.16045	0.2
229.19299	0.1
231.17575	1.2
241.12376	0.1
243.13957	0.5
244.14572	0.2
249.18559	0.3
253.19562	0.2
255.14044	0.1
255.17537	0.1
269.15506	0.3
269.19077	0.3
271.20642	1.3
274.37213	0.1
283.16989	0.2
283.19894	0.1
285.22144	0.2
295.20706	0.4
311.20050	0.2
313.21735	100.0
314.22070	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	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01365	1.3
71.59914	0.8
75.34875	0.4
78.95924	0.6
121.02990	1.1
125.09766	0.7
127.11290	1.0
139.11292	0.7
145.17294	0.5
155.10753	3.0
161.02522	1.0
171.10266	4.2
175.03929	0.6
199.13417	0.8
204.04344	1.0
220.04045	0.5
239.23770	0.6
267.23099	0.9
269.21173	0.7
277.21655	0.6
283.02612	0.6
295.22769	6.4
298.04840	0.6
311.22137	0.8
313.06976	1.0
313.14563	3.5
313.23856	100.0
314.24213	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01383	100.0
60.01724	1.0
71.05048	0.5
71.29372	0.4
74.03181	0.5
78.95930	0.6
79.01923	0.8
80.05093	0.4
86.53546	0.4
93.06836	0.4
95.05072	0.7
109.83617	0.4
119.05072	0.6
121.03004	1.1
125.02428	0.5
165.01945	2.1
225.22340	0.8
253.21738	5.7
254.22235	0.9
269.15463	0.6
269.21332	0.5
271.22794	43.0
272.23132	3.2
283.02441	0.7
298.04929	0.7
313.06970	0.6
313.14371	6.2
313.18082	0.9
313.23920	15.5
314.24216	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	315.015
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
59.30006	0.2
67.83338	0.2
68.75814	0.2
69.60789	0.5
69.61196	0.9
87.91422	0.2
96.95545	0.3
96.96136	0.6
107.44495	0.2
110.97710	0.2
127.08520	0.2
132.02304	0.5
137.02541	0.3
144.02292	0.4
148.01785	0.5
151.00644	0.2
159.00978	0.4
160.01662	1.3
163.00446	0.2
165.02118	0.2
172.01686	1.3
176.01253	0.2
187.00468	0.5
188.01268	0.8
199.00372	0.3
200.01151	2.5
200.02716	0.2
203.00003	0.2
214.99936	1.1
216.00648	3.6
226.99879	0.5
228.00775	0.6
230.99249	1.0
242.99280	2.6
244.00117	3.3
270.98828	1.8
271.99606	0.7
282.98907	0.8
286.98499	1.1
298.98370	1.3
299.99109	100.0
300.99469	7.7
314.97928	4.0
315.01440	47.2
315.98260	0.3
316.01782	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	315.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86032	0.3
65.00324	0.4
65.13379	0.2
69.64008	1.6
87.77838	0.2
96.96014	0.5
103.56216	0.3
104.02686	0.3
119.01363	0.3
121.02962	0.2
125.02436	1.2
131.01337	0.6
132.02174	0.6
144.02226	0.5
147.00868	0.7
148.01627	0.5
149.02374	0.3
159.00858	1.2
160.01614	0.9
163.00284	0.3
163.04002	0.3
164.01233	0.3
169.01370	0.6
172.01585	1.4
175.00334	0.7
176.01147	0.4
183.96793	0.3
187.00351	1.2
188.01096	1.1
197.11812	0.7
200.01143	2.7
202.99860	0.7
214.99913	2.2
215.03526	0.4
216.00613	3.7
218.29657	0.2
218.32304	0.3
228.00549	0.8
230.99373	3.3
231.02789	0.4
242.99332	3.0
244.00182	3.3
258.98727	0.3
259.02505	0.5
270.98810	1.6
271.02301	0.4
271.57904	0.3
271.99615	0.9
282.98853	0.8
286.98328	3.3
287.01965	2.5
287.98663	0.3
298.98273	1.5
299.99106	100.0
300.99448	7.1
314.97864	8.6
315.01410	60.4
315.98279	0.6
316.01797	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	313.1449
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
56.02778	0.8
57.03448	1.0
58.21118	0.8
65.00327	1.5
68.62907	0.8
71.05027	3.8
77.03960	1.1
78.95906	1.3
79.01894	11.3
80.02666	0.9
81.03503	0.9
83.01366	0.9
90.64218	0.9
93.03477	0.9
95.01403	1.0
95.05031	6.9
97.02935	4.0
105.79650	1.0
107.08651	1.1
109.02926	0.8
117.47482	0.8
119.05006	1.9
121.02958	9.9
122.03709	2.3
124.01626	0.9
125.02470	2.1
134.03712	0.8
137.02432	3.2
137.06081	2.0
138.03223	3.1
139.04024	14.5
147.11885	1.0
149.02374	1.4
151.04019	2.2
151.07631	1.5
152.98801	0.9
162.40350	0.8
163.00403	0.9
163.03902	0.9
165.01935	31.1
166.02702	5.6
173.05981	1.1
179.03496	4.0
180.04300	8.9
181.05045	2.5
191.03497	9.6
193.05096	1.9
193.89987	0.8
205.04970	1.3
206.05841	10.6
212.03374	1.0
213.12918	0.9
257.08066	1.1
269.15509	4.6
283.02444	1.0
295.13330	3.5
295.22513	0.8
313.14429	100.0
313.24335	6.3
314.14774	10.2
328.22177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35661	0.6
65.00333	10.1
65.03967	0.8
66.16018	0.6
69.47369	4.4
69.47781	1.7
89.00341	2.8
91.01860	1.7
93.03465	1.3
95.01382	1.9
97.02962	6.9
98.20601	1.1
98.60126	0.8
109.02948	1.4
119.08659	1.2
121.02962	3.1
122.03739	2.7
123.00894	2.2
124.01675	42.3
130.54411	0.6
135.00890	0.8
137.02451	22.0
139.00368	1.0
139.04024	27.5
140.04333	1.0
149.02493	0.9
149.99576	2.7
150.03253	2.1
151.00325	1.8
151.04063	1.2
152.01163	36.1
153.01501	1.0
163.04018	1.8
165.01941	76.1
166.02640	5.5
175.03937	1.0
177.01945	4.2
179.03490	2.8
180.04243	1.2
181.05078	10.4
185.00772	0.9
191.03510	3.1
193.05023	1.8
205.04990	1.8
219.06718	1.3
241.00374	0.6
249.30186	0.6
257.08215	0.7
281.11893	1.3
297.11392	2.5
298.12039	1.0
313.14453	100.0
314.14838	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	313.1447
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
52.78885	0.5
55.01863	0.8
56.92277	0.5
65.00317	1.4
69.06032	0.6
71.05025	4.5
74.09792	0.5
77.03972	0.6
79.01453	0.8
79.01893	11.5
81.03436	0.6
83.04984	0.6
84.81796	0.5
95.01396	0.5
95.05029	7.1
97.02959	4.7
107.05033	0.9
109.02966	1.5
109.06561	0.7
119.05005	1.0
121.02963	12.0
121.06577	0.6
121.10199	0.8
122.03781	2.7
124.01704	0.7
125.02493	3.2
126.20685	0.6
135.04451	0.8
136.01591	0.7
136.05310	1.3
137.02446	2.5
137.06081	2.0
138.03247	3.5
139.03015	1.1
139.04015	14.3
147.11818	1.0
151.04027	3.5
151.07628	1.2
152.04704	0.5
162.03242	0.6
163.07597	0.5
165.01933	30.4
166.02705	7.6
171.50569	0.5
178.06281	0.5
179.03572	3.5
180.04269	8.6
181.05006	1.6
183.03123	0.5
185.00694	0.6
188.04807	0.7
191.03508	10.3
192.03734	0.6
193.05055	1.1
198.01749	0.9
205.05046	0.9
206.05852	14.3
212.03322	1.3
220.07364	0.9
227.14450	1.1
229.62018	0.6
257.08276	0.8
269.15439	4.9
295.13370	3.5
313.14444	100.0
314.14755	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	313.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01381	1.0
65.00322	6.3
69.03461	1.3
71.37465	2.1
81.03459	1.8
83.05033	7.4
93.03448	2.4
95.01402	1.7
95.05044	3.1
97.02977	3.1
97.06593	5.8
105.07113	1.9
109.02926	1.1
109.06583	2.3
111.08192	2.3
119.05029	1.2
119.08662	1.1
121.03033	1.8
122.03728	1.9
123.08174	4.4
124.01665	11.7
133.10239	1.5
135.04565	1.4
135.08229	1.4
136.69489	1.0
137.02466	7.9
137.09738	1.4
139.04025	8.9
142.53485	1.0
145.10220	2.6
147.08189	1.6
147.11803	7.0
149.09717	2.0
152.01167	10.2
159.08167	1.4
159.11833	2.4
163.11299	3.7
165.01936	26.9
166.02599	2.1
173.13351	2.6
177.01926	1.2
177.12909	1.7
181.05069	3.2
184.01495	1.4
185.00844	4.0
191.03505	1.4
193.05035	1.6
199.11319	1.7
213.12854	1.8
229.16046	4.6
251.18056	4.4
252.18190	1.1
253.16045	1.8
269.19098	18.7
270.19455	2.1
271.17136	5.8
313.14456	35.4
313.18060	100.0
313.21790	12.4
314.14743	4.7
314.18436	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	313.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
62.59149	0.3
70.00525	0.7
70.00922	0.8
79.05509	0.5
81.03467	3.6
83.05020	1.0
91.05536	0.3
108.02174	0.8
109.02946	0.5
109.06605	0.4
122.03744	11.0
123.04530	4.7
125.02467	0.6
135.04526	10.8
136.05205	0.5
137.02466	0.9
149.06094	1.8
150.06873	0.3
151.78709	0.4
153.01842	0.3
163.07655	2.3
166.40459	0.3
177.09242	0.6
185.00719	0.5
189.09294	0.3
203.10782	0.4
267.26825	0.4
271.20648	1.5
311.20328	1.1
313.21732	100.0
313.27542	4.4
314.18530	0.7
314.22083	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0603
Annotation	(+)-Bornyl diphosphate
Peak:m/z	Relative Intensity
53.98356	0.5
59.01382	3.8
62.63569	0.4
63.04349	0.4
69.03466	1.1
71.01392	3.8
71.05014	3.5
71.59766	0.6
73.02958	0.5
79.95753	1.0
83.05013	1.0
85.02940	0.9
87.04520	0.7
89.02431	1.1
96.96014	100.0
97.46491	0.5
97.95937	0.6
101.02438	2.2
101.06081	2.2
107.01393	2.2
113.02438	2.9
115.04041	0.7
120.99712	0.5
123.00892	0.7
125.02462	9.0
125.06072	0.9
130.93257	0.5
135.08173	0.9
143.07147	1.0
143.10800	2.2
151.03970	1.0
151.06143	0.9
153.09215	4.7
154.09572	0.6
155.07114	0.7
161.04620	1.0
169.01436	13.8
171.10268	4.5
197.08170	2.0
215.09232	6.6
233.10289	20.3
234.10718	1.2
234.89195	0.5
241.03593	0.6
257.00888	0.7
313.05994	75.4
314.00906	1.0
314.06342	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32131	0.4
59.01383	1.5
63.02406	0.6
65.00338	0.5
70.01604	0.4
71.60702	0.7
75.16656	0.4
77.04005	0.5
78.95924	1.6
79.01907	1.2
111.00906	0.4
121.02948	3.1
132.02153	0.5
133.02943	3.7
134.03777	4.7
135.00920	1.0
136.01651	0.6
149.04810	0.4
150.03212	0.4
151.58815	0.5
161.02454	1.7
162.03226	0.6
163.00372	2.7
164.01259	0.7
165.01927	2.1
187.04051	0.6
189.01956	0.7
201.01942	1.5
202.02657	0.6
213.05620	0.7
214.06343	0.7
225.05557	1.3
227.03526	0.9
229.05066	1.0
241.05092	1.9
241.18114	0.5
253.05095	8.3
254.05548	1.1
255.02986	1.1
269.04526	3.3
270.05347	2.5
271.06018	0.5
281.04529	0.7
295.19272	1.0
297.04053	11.7
298.04828	92.4
299.05182	7.8
313.07187	100.0
313.20233	3.2
313.23834	2.0
314.03918	0.5
314.07523	9.1
330.03720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29632	0.2
59.01398	0.5
66.71531	0.2
70.34429	0.8
71.15868	0.2
73.49148	0.2
77.04002	0.2
78.95933	0.5
93.03468	0.3
121.02965	100.0
122.03290	3.6
180.05806	1.0
181.06607	5.0
182.07027	0.3
203.95317	0.2
225.05591	6.5
226.05939	0.6
230.25847	0.3
313.07202	13.8
313.20273	0.6
314.07666	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	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.9
57.03452	6.4
57.13522	1.7
58.00584	2.8
58.87363	1.7
59.01385	41.7
59.68372	1.7
63.26093	1.7
69.12631	1.7
70.72288	4.3
71.01389	100.0
72.99327	5.3
73.02950	32.2
75.00894	2.8
76.12493	1.7
83.01404	17.2
85.02959	52.4
87.00886	4.0
88.04053	7.2
89.02456	7.7
92.86076	1.8
93.03458	3.7
95.01414	6.9
96.53140	2.3
96.96011	24.3
97.02948	4.9
97.21906	1.9
98.95644	2.4
99.00888	14.8
101.02453	74.2
107.01424	4.1
107.05048	4.4
111.00910	3.3
113.02455	39.9
121.02867	1.8
123.00886	4.7
123.04536	2.3
125.02475	21.4
134.59483	1.9
140.01163	2.9
143.03508	6.6
151.00418	2.1
151.04025	12.1
153.22365	1.7
155.84164	2.1
159.03006	8.7
161.04582	32.9
162.71896	1.8
169.01442	21.4
199.87852	2.0
205.03371	2.3
223.02513	2.4
232.01254	2.0
240.16109	2.1
257.00970	2.5
269.10321	11.9
285.00577	2.3
312.99689	5.5
313.05655	19.5
313.09225	28.4
314.00696	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	313.1083
Annotation	CHEBI:66265
Peak:m/z	Relative Intensity
52.05812	0.3
59.01384	0.7
77.18415	0.3
78.95911	0.8
79.01909	0.9
83.01425	0.4
91.05521	0.3
93.03466	16.1
94.03803	0.4
108.24126	0.2
109.02950	0.4
110.94827	0.2
117.03494	0.4
119.05036	100.0
120.05370	4.6
121.02940	1.2
122.03767	0.5
126.03204	0.2
134.03775	0.5
135.04568	0.6
136.05339	0.6
137.02509	0.4
137.09805	0.3
145.02966	1.4
149.02502	1.2
149.06099	0.7
150.03233	9.5
151.03882	0.3
163.03967	0.6
164.04843	2.2
166.02689	0.3
177.01900	0.4
178.02730	23.9
179.03058	1.3
181.98859	0.3
192.04308	2.4
193.05074	47.3
194.05437	2.8
207.06726	0.4
210.01756	0.5
211.06097	1.1
219.06653	1.0
224.03326	2.7
252.08052	0.3
280.07376	0.4
298.04874	0.3
298.08478	1.3
313.10825	55.9
313.20383	0.9
314.11188	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	313.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	1.3
65.00038	1.0
65.00332	12.1
65.03947	1.1
68.79493	0.8
70.41840	2.8
74.70469	0.8
83.14941	1.1
89.00333	3.7
90.81600	0.7
91.01894	3.3
93.03463	1.3
95.01389	1.9
96.02158	0.8
97.02956	10.7
102.86991	0.8
104.66483	0.8
106.33860	0.9
108.02184	1.0
109.02919	1.5
111.40954	0.8
112.57282	0.7
119.08726	1.5
121.02986	4.6
122.03739	2.4
123.00896	1.2
124.01667	34.1
124.28360	0.8
125.02056	1.1
134.39508	0.8
135.00917	1.4
137.02452	28.5
138.02773	1.1
139.00392	2.9
139.04016	23.9
140.04288	0.8
147.11845	1.1
149.99565	3.4
150.03220	1.9
151.00331	2.3
151.04060	1.0
152.01164	32.2
153.01701	1.0
163.04044	1.9
165.01935	96.7
166.02583	7.7
177.01929	5.3
179.03503	2.5
181.05045	11.6
183.02982	0.8
185.00684	1.4
189.05592	1.0
191.03456	3.6
193.05042	1.8
205.05060	2.3
206.05814	1.1
207.06705	1.3
219.06662	2.1
221.08330	1.1
251.23857	1.8
257.08215	0.8
260.77316	0.8
269.19125	1.1
278.45160	0.8
281.11823	1.1
295.22916	1.1
297.11353	2.3
313.14441	100.0
313.17349	4.5
313.24069	3.7
314.14859	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.98920	0.8
57.03441	1.4
58.00588	0.8
59.01377	2.6
67.10091	0.8
69.66614	3.7
71.03594	0.8
73.90652	0.8
83.05061	1.0
99.08160	4.0
104.47569	0.8
106.52993	0.9
111.08167	1.6
113.09745	5.1
115.48570	0.8
118.48486	0.8
129.09261	7.6
151.11264	1.1
153.12891	1.1
169.12396	4.3
171.10277	1.2
181.12392	5.9
183.13882	3.3
193.12334	1.8
195.13980	0.9
197.11826	15.3
198.12291	1.0
199.13437	7.4
211.13396	25.1
212.13774	0.9
249.22244	1.2
265.21729	0.9
275.20206	2.7
293.21255	21.4
294.21524	1.5
311.22299	100.0
312.22678	10.3
334.88959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.30041	1.1
51.50142	1.0
55.96371	1.1
57.03449	2.6
58.00573	1.3
59.01379	5.1
64.51106	1.0
69.67237	7.1
71.08870	1.5
76.40092	1.0
87.73792	1.0
99.08155	2.4
111.08182	1.3
113.09734	4.5
127.07717	1.4
129.09227	7.3
146.63074	1.3
151.11324	1.3
167.10744	1.2
167.71440	1.3
169.12363	3.9
181.12363	6.1
183.01254	1.2
183.13850	2.0
193.12392	2.7
197.11835	15.1
199.13423	6.7
211.13402	20.4
212.13667	1.6
249.22340	2.5
260.43427	1.1
293.21255	19.4
294.21619	1.8
296.06952	3.8
311.09430	1.6
311.22318	100.0
312.22430	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	312.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82059	0.6
55.20544	0.7
57.03426	0.9
58.64571	0.9
59.01373	3.1
66.07189	0.7
71.01385	8.8
71.59483	0.9
77.53963	0.7
79.95741	0.9
85.06590	9.7
88.04047	81.9
88.39247	0.8
89.04379	1.4
96.96016	53.9
101.02448	1.3
101.19849	0.8
107.05029	2.9
113.06078	2.5
121.03021	0.7
125.02419	2.4
130.08864	1.1
151.04044	4.0
160.09811	15.6
161.10139	1.0
169.01434	2.7
187.00761	0.9
195.03328	2.8
196.09637	1.2
196.96271	0.7
202.34723	0.9
232.11908	15.7
312.07590	100.0
312.99915	1.2
313.08203	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58376	0.6
51.50247	0.6
52.13926	0.6
55.01871	1.1
59.01387	100.0
60.01728	0.8
61.05582	0.6
69.88690	2.5
69.89109	1.6
71.01391	8.8
73.02941	3.4
75.00864	0.8
85.02969	4.0
87.00894	1.6
89.02441	3.8
95.01437	1.0
96.96037	2.4
99.00918	2.9
101.02453	10.3
111.00919	1.7
113.02466	4.0
119.03483	1.7
123.03603	0.6
125.02483	2.8
138.03255	7.3
141.01938	0.8
149.02478	7.0
150.03210	0.7
150.05565	1.1
151.07674	1.2
159.03050	0.9
161.04607	8.5
161.05934	1.1
164.04842	1.9
168.11751	0.7
168.43631	0.7
177.05598	1.2
179.07144	14.5
179.08566	1.3
180.07451	1.1
193.01601	1.1
205.05035	6.7
221.04691	0.9
223.06241	1.4
251.11392	18.3
252.11757	1.5
267.05185	2.0
293.02994	4.6
296.06876	0.8
311.04224	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	311.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19438	3.5
59.01387	100.0
65.00314	4.3
66.84933	3.0
70.18571	14.2
71.01397	6.1
71.43034	3.4
80.65547	3.2
85.02959	3.5
86.87532	2.7
93.03484	6.9
95.01427	7.8
96.96049	5.8
98.20052	4.6
101.02464	4.0
120.04840	3.0
123.00905	3.9
151.00404	7.9
204.16035	3.3
223.09138	3.5
281.08334	17.0
283.09644	3.9
296.06879	28.8
311.09338	26.4
311.12454	4.3
311.15237	5.6
311.18643	7.5
311.22180	7.8
311.29645	12.8
312.09982	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	311.2018
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01352	0.3
69.64651	1.6
78.63173	0.2
79.95742	0.3
83.51035	0.2
98.20608	0.4
98.95613	0.4
119.05032	0.4
133.06592	2.4
139.23793	0.2
149.09729	100.0
150.10063	5.3
158.19646	0.3
183.01222	9.9
184.01880	1.2
188.85411	0.2
197.02719	0.3
216.00989	0.4
295.06107	0.5
296.06912	3.4
297.07150	0.3
311.09531	2.9
311.16843	18.8
311.20218	55.7
312.09735	0.4
312.13812	0.4
312.17212	1.6
312.20563	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	311.0926
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
53.24697	0.2
55.96697	0.2
59.01390	1.3
65.60732	0.2
68.64954	0.2
69.91738	0.2
72.16312	0.2
77.22747	0.2
79.01856	1.0
90.87138	0.2
92.21994	0.2
93.03438	0.3
95.01368	0.7
98.69751	0.2
98.75713	0.2
108.02145	0.8
110.40963	0.3
111.04499	0.5
115.78707	0.2
117.03452	3.7
119.05012	0.7
123.00890	0.4
134.03723	0.7
135.04449	0.8
136.01700	1.1
149.02438	2.1
150.03169	0.4
151.04034	0.2
172.34879	0.2
175.04016	3.9
176.04715	0.5
177.01930	2.2
178.02652	0.5
179.03542	1.2
185.02422	0.4
186.03285	0.4
195.08130	0.3
203.03511	0.5
209.06148	0.3
211.03964	0.4
216.14934	0.2
223.07658	0.7
225.05545	0.7
227.07077	1.0
229.16495	0.3
237.05476	0.4
239.07257	1.2
240.07924	0.8
251.07140	0.5
253.05034	1.8
267.06650	5.8
268.07367	1.7
279.06445	0.4
281.04477	0.5
295.06140	18.9
296.06894	100.0
297.07257	8.3
311.09262	80.8
311.29562	0.5
312.09589	7.8
328.05743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
62.63722	0.5
63.63427	0.5
66.99329	0.6
68.30089	0.5
70.23000	0.5
114.97902	0.5
117.03439	2.2
134.03685	0.6
135.04482	1.1
149.02386	1.1
175.03990	2.5
177.01888	1.1
229.11336	0.7
239.07103	0.5
240.07903	0.6
253.05016	1.3
260.97986	0.6
267.06631	3.8
268.07330	1.2
295.06134	11.6
296.06903	76.6
297.07254	5.0
304.78461	0.6
311.09271	100.0
312.09595	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	311.0983
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.74458	9.5
59.01385	100.0
71.01387	63.7
71.60622	15.6
83.01400	10.0
89.02451	90.4
95.52731	9.5
96.96023	85.5
98.95592	66.4
98.96353	18.6
99.00866	10.7
101.02463	57.0
101.03001	9.6
113.02425	14.5
131.03500	42.9
149.04518	36.2
191.05678	16.2
211.56630	13.0
311.09891	36.0
311.11032	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0987
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.05632	0.5
55.01890	1.4
56.04808	0.5
57.03451	1.3
58.00603	3.6
59.01386	85.4
60.01711	1.0
63.92461	0.5
69.00368	0.5
69.03461	6.4
71.01391	48.1
71.59635	0.9
72.01727	1.1
72.99320	5.3
73.02963	5.4
73.55956	0.5
74.30707	0.5
74.99107	3.9
75.00873	7.6
76.98676	0.8
83.01403	3.3
85.02958	11.1
85.03448	0.8
87.00890	4.1
87.04524	1.1
89.02454	56.2
90.02804	0.9
95.01407	3.4
95.50524	0.6
96.96037	2.4
97.02971	0.7
99.00883	3.2
101.02455	32.3
113.02469	21.2
119.03510	24.4
120.99727	0.9
122.03667	1.1
122.06068	0.6
124.00784	0.8
124.01617	1.2
125.02457	3.0
129.01967	0.7
131.03528	5.3
133.05144	0.8
136.73741	0.6
136.99149	3.7
137.02530	1.0
138.03259	2.5
143.03514	3.8
149.02470	6.1
149.04591	2.2
149.08189	6.2
150.03160	1.4
151.03970	0.8
151.07715	1.3
161.04584	5.2
161.05969	1.2
163.03943	0.6
164.03664	0.6
164.04765	3.5
165.05559	0.8
175.02489	0.6
177.04182	1.0
177.05617	1.7
179.05643	5.0
179.07184	15.8
180.07443	0.8
190.02754	0.7
193.01518	0.9
205.05086	7.9
207.05261	6.9
223.06247	2.9
237.06186	0.7
239.05783	0.8
249.04085	1.0
267.05154	2.8
283.02542	0.6
293.03082	1.9
293.08847	1.8
311.04739	8.3
311.09894	100.0
311.13419	8.8
312.10297	6.2
312.27176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.00618	1.7
59.01390	2.0
60.11495	0.6
69.03480	1.4
73.02982	0.8
74.66634	0.6
83.05027	1.4
93.07104	0.6
97.06646	0.8
98.19903	2.0
99.08195	0.7
105.19085	0.7
109.06635	1.4
111.08164	29.2
112.08522	1.3
127.07652	2.7
137.09744	0.6
151.03970	1.1
151.07732	1.3
151.11278	2.4
152.08418	2.0
153.12888	0.9
167.10728	1.4
169.12354	9.1
171.10345	1.4
181.12369	3.3
183.13910	1.9
193.12376	1.3
197.11839	100.0
198.12183	7.3
199.13403	4.2
209.15489	2.1
211.13417	12.6
211.69211	0.8
227.12907	3.0
247.20764	0.8
263.20142	6.6
264.20691	0.8
265.18112	2.2
273.18622	2.6
291.19681	19.4
292.19937	2.3
309.17184	4.2
309.20682	40.4
310.17618	1.1
310.21011	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97665	0.7
57.03445	1.8
59.01379	2.1
69.03444	0.7
70.35493	2.3
71.62325	0.6
83.95078	0.6
86.31161	0.6
97.06586	2.2
99.08240	0.7
109.06582	0.6
111.08144	1.2
113.09738	3.0
115.07661	2.3
125.06081	1.1
141.09224	2.4
151.03979	1.4
151.07625	2.2
152.08424	2.1
163.11200	0.8
165.12813	3.7
167.10777	1.5
167.14395	1.8
181.12378	3.9
183.13902	1.0
193.12384	2.5
195.13919	1.8
197.11803	2.0
209.15422	3.5
210.15829	0.9
211.13490	4.2
213.15005	1.2
221.15439	2.0
240.13644	1.1
247.20702	3.6
263.20038	0.8
265.18069	1.0
273.18585	4.1
281.21216	1.4
291.19684	46.7
292.20108	3.5
309.17258	6.5
309.20709	100.0
310.07993	0.6
310.21051	8.6
328.99661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
54.02164	1.0
55.01875	1.2
57.03458	2.6
57.77240	1.0
58.84238	1.3
59.01384	6.4
69.03452	1.9
69.42538	9.4
71.01376	1.4
71.05027	1.4
80.02670	1.4
81.03461	2.6
83.01404	8.5
83.05041	4.5
95.05051	2.7
96.35947	1.1
96.96029	2.4
97.02959	2.4
97.06588	4.7
98.03728	1.8
99.00893	1.7
99.08144	1.2
100.84141	1.2
109.06596	1.3
110.03711	1.1
111.08163	2.2
119.04990	1.2
123.04510	4.2
123.08152	4.0
125.06116	1.2
125.09740	10.2
125.88903	1.3
131.87810	1.0
137.06102	1.2
139.11334	11.7
141.09180	1.8
151.03986	2.5
151.07651	7.6
151.11334	2.0
152.08408	5.5
161.08368	1.1
161.09763	1.5
162.10605	1.5
163.11290	7.8
165.09157	1.6
165.12852	15.7
167.10771	6.1
171.10269	2.0
177.02043	1.3
179.10747	1.8
181.12390	4.3
183.13911	2.8
185.11909	1.5
191.10799	4.2
193.12300	1.7
193.16003	5.5
197.11809	3.2
209.11861	52.0
209.15297	10.2
210.12216	1.8
211.13472	3.2
217.54572	1.2
246.99013	1.4
247.20670	12.7
248.21170	1.2
265.18176	2.5
265.21655	4.9
273.18524	7.1
281.21268	2.3
291.19681	100.0
292.20071	9.3
309.17102	14.1
309.20721	35.8
310.17453	2.0
310.20966	3.7
314.13629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02164	1.0
55.01875	1.2
57.03458	2.6
57.77240	1.0
58.84238	1.3
59.01384	6.4
69.03452	1.9
69.42538	9.4
71.01376	1.4
71.05027	1.4
80.02670	1.4
81.03461	2.6
83.01404	8.5
83.05041	4.5
95.05051	2.7
96.35947	1.1
96.96029	2.4
97.02959	2.4
97.06588	4.7
98.03728	1.8
99.00893	1.7
99.08144	1.2
100.84141	1.2
109.06596	1.3
110.03711	1.1
111.08163	2.2
119.04990	1.2
123.04510	4.2
123.08152	4.0
125.06116	1.2
125.09740	10.2
125.88903	1.3
131.87810	1.0
137.06102	1.2
139.11334	11.7
141.09180	1.8
151.03986	2.5
151.07651	7.6
151.11334	2.0
152.08408	5.5
161.08368	1.1
161.09763	1.5
162.10605	1.5
163.11290	7.8
165.09157	1.6
165.12852	15.7
167.10771	6.1
171.10269	2.0
177.02043	1.3
179.10747	1.8
181.12390	4.3
183.13911	2.8
185.11909	1.5
191.10799	4.2
193.12300	1.7
193.16003	5.5
197.11809	3.2
209.11861	52.0
209.15297	10.2
210.12216	1.8
211.13472	3.2
217.54572	1.2
246.99013	1.4
247.20670	12.7
248.21170	1.2
265.18176	2.5
265.21655	4.9
273.18524	7.1
281.21268	2.3
291.19681	100.0
292.20071	9.3
309.17102	14.1
309.20721	35.8
310.17453	2.0
310.20966	3.7
314.13629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01029	0.7
57.03462	2.0
59.01367	1.0
63.95509	0.7
64.03644	0.8
69.03457	1.4
69.68139	5.1
71.05046	1.1
85.06499	0.7
85.52534	0.8
95.01398	2.3
97.02926	1.3
99.00890	8.4
109.06577	1.0
111.08162	7.3
119.08665	1.0
123.00871	0.9
137.06047	1.0
137.09723	3.3
151.04025	23.5
151.07657	40.0
152.04347	0.8
152.08449	40.0
153.09007	2.6
162.10521	0.8
163.11301	2.4
165.12845	3.3
167.07195	0.8
167.10733	1.2
169.12314	1.3
169.31703	0.9
171.10252	3.3
179.07246	1.4
179.14407	1.8
181.12350	2.9
184.07410	6.6
190.10025	4.1
191.14394	0.9
193.08681	5.0
193.16017	1.2
195.13899	3.6
197.11839	22.8
198.12111	1.5
208.11087	6.5
209.15466	65.5
210.15862	3.8
211.13383	3.7
221.15422	2.0
223.13342	2.9
241.15718	0.9
247.17001	3.5
247.20638	2.9
252.10022	11.8
263.20126	1.9
265.18118	14.7
266.18405	1.8
273.18536	1.4
291.16116	4.6
291.19659	43.1
292.20010	4.6
309.17065	100.0
309.20715	45.6
310.17410	10.3
310.21085	5.8
326.91583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47399	0.6
57.03452	0.9
58.00588	1.3
59.01375	2.7
60.37547	0.7
69.03455	2.1
71.05040	0.8
71.44601	0.6
78.98895	0.7
83.05037	1.0
93.07104	1.2
93.89371	0.7
97.02974	1.7
97.06594	0.7
99.00874	2.0
109.06590	1.9
111.08167	35.5
112.08512	1.4
127.07678	2.1
130.10237	0.7
137.09705	0.8
141.09192	0.9
151.04025	2.3
151.07671	3.3
152.08423	2.8
153.12881	0.8
166.02692	0.8
167.10732	0.8
169.12344	7.8
171.10304	1.9
181.12366	2.2
183.13896	1.0
184.14453	0.6
185.27521	0.7
193.12288	1.1
197.11836	100.0
198.12186	5.0
199.13400	4.4
209.15486	6.5
211.13428	9.7
218.33875	0.7
227.12883	3.0
247.17090	1.0
247.20714	0.9
251.16432	1.1
263.20166	4.2
265.18082	3.7
273.18716	2.3
291.19669	21.2
292.20026	2.9
309.13416	4.5
309.17123	10.0
309.20731	41.1
310.17618	1.3
310.20917	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30264	0.6
55.01893	1.4
56.58868	0.6
59.01381	84.0
60.01713	0.9
65.85860	0.6
68.09574	0.6
71.05047	0.7
71.84608	0.6
79.01907	3.9
85.06602	4.7
95.05058	1.1
97.02969	1.8
109.06602	3.1
111.04525	6.5
111.08161	1.0
123.04522	0.7
135.04523	3.7
137.06038	0.7
149.09747	3.8
151.04047	1.2
151.07657	1.7
153.05583	24.7
179.03535	2.1
193.05116	0.7
193.08714	1.4
197.11807	2.5
203.10887	0.8
205.12363	10.6
205.14247	1.0
206.12698	0.7
207.06731	1.1
221.11803	3.3
231.10387	0.8
245.52292	0.7
249.11322	54.7
250.11659	4.2
265.14566	1.7
265.17926	0.8
267.12396	6.8
291.12476	1.1
291.19684	1.4
309.13464	100.0
309.16766	6.1
309.20822	4.8
310.13791	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	309.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.4
57.47955	0.4
59.01383	25.7
65.00320	3.3
71.05025	1.0
73.02941	0.5
80.83698	0.5
81.03463	21.9
83.01400	3.1
83.05050	1.5
95.05051	0.6
97.06612	1.9
98.19883	1.7
107.01389	2.4
109.06637	0.5
110.29714	0.5
111.08161	0.7
118.97926	0.4
121.02953	0.8
121.10222	1.5
122.03769	5.5
123.04531	1.0
123.08176	0.9
123.88386	0.5
125.02463	14.6
125.09705	1.5
137.09756	0.9
139.11327	0.6
141.09253	0.7
151.00330	3.2
162.03218	0.7
163.11266	1.8
165.01857	0.6
165.09212	0.8
166.02783	0.5
170.05460	0.5
181.12343	3.1
183.10266	1.1
183.13879	1.2
185.11877	1.3
193.05092	0.6
195.13887	1.0
197.11819	0.7
199.16994	0.7
205.12329	14.3
206.12631	1.0
207.13939	0.5
209.15381	0.7
211.13409	11.7
221.15387	1.4
223.13426	4.7
223.17015	4.1
225.11343	2.2
225.14911	2.4
231.10091	0.8
233.15570	1.2
235.17015	5.4
236.17279	0.6
237.18655	0.9
247.17039	2.8
249.08949	0.9
249.11353	12.8
250.11633	0.8
251.16510	5.2
265.14444	25.6
265.18048	13.0
266.14853	1.9
266.18451	0.8
267.12369	5.0
273.18539	1.7
291.16333	0.8
291.19647	20.4
292.20062	1.0
309.13425	100.0
309.17075	71.8
309.20740	11.5
310.13751	9.7
310.17441	6.2
310.20840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03217	0.5
57.03453	5.1
59.01383	26.3
65.00343	2.9
67.01880	0.5
69.03448	0.7
71.05001	0.8
73.02972	0.5
75.46502	0.4
75.89825	0.4
80.02650	0.5
81.03465	24.6
82.03809	0.6
83.01402	3.4
83.01846	0.6
83.05027	1.6
85.02956	0.6
93.03434	0.5
94.32140	0.4
95.05037	1.4
97.06603	2.1
107.01377	2.7
108.02205	0.5
109.06569	0.7
111.08163	1.0
119.01470	0.5
121.10244	2.4
122.03755	6.0
123.04519	1.3
123.08168	0.6
125.02460	12.8
125.09711	2.0
135.04536	0.6
136.05313	0.5
136.75688	0.5
137.09702	0.8
139.03984	0.5
139.75409	0.4
141.09277	0.7
151.00363	3.1
157.12187	0.5
162.03262	0.4
163.11308	2.4
165.09232	1.0
166.02826	0.5
169.52275	0.5
171.10286	0.8
175.82953	0.4
181.12372	3.2
183.10242	0.8
183.13762	1.1
185.11874	2.9
193.12097	0.5
195.13879	0.6
197.11769	2.0
197.15511	0.5
199.17157	0.5
205.12328	15.7
206.12639	1.3
209.12059	0.4
211.13394	13.9
212.13701	1.0
221.15428	1.6
223.13434	6.2
223.16980	2.8
225.11319	2.0
225.14960	2.7
229.19685	0.7
231.10306	0.7
233.15437	0.9
235.17041	9.9
237.18567	0.9
247.17068	2.5
249.11319	12.8
249.18532	0.6
250.11673	1.0
251.16501	1.2
265.14426	25.6
265.18027	12.0
266.14743	2.6
266.18149	0.8
267.12369	5.3
273.18591	2.6
291.19659	28.6
292.19971	2.7
309.13400	100.0
309.17059	62.8
309.20712	12.6
310.13730	9.3
310.17419	6.4
310.20886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.00888	0.6
57.03458	0.7
59.01384	7.1
65.00323	2.0
69.03467	1.6
76.67864	0.6
89.00363	0.8
95.01410	2.3
97.02976	1.7
98.20366	5.0
99.00913	3.9
111.00894	1.0
111.08169	4.6
119.08672	2.8
120.84183	0.6
121.02953	1.0
123.00910	1.5
124.01665	28.8
125.02100	0.7
125.09750	1.8
135.08136	1.1
137.02509	2.0
137.09724	7.0
138.03224	2.5
139.04025	9.5
142.58958	0.7
151.00391	1.7
151.04012	4.0
151.07661	6.0
151.11302	1.0
152.01161	42.9
152.08453	5.7
153.01520	1.6
153.05556	2.8
155.10750	1.2
165.01947	4.9
165.12946	0.8
166.02719	8.0
167.10776	0.8
169.12254	0.9
171.10275	21.6
173.09695	0.8
177.01918	0.9
179.03490	10.8
180.04265	2.2
181.12306	1.0
183.10277	1.6
184.07336	0.8
185.11841	5.7
193.05063	3.0
197.11818	12.8
201.11290	1.2
208.11102	1.0
209.15488	10.2
210.15788	0.9
211.13390	2.2
213.11334	2.8
217.08650	0.9
227.12898	0.7
234.08916	1.4
235.09741	7.5
247.17140	1.0
247.20551	0.9
249.11349	12.8
250.11777	1.2
251.09265	2.1
251.16495	0.8
252.10005	1.7
265.18036	1.5
267.12369	6.0
267.24283	0.8
273.18597	3.1
277.14398	0.7
291.16388	0.8
291.19662	12.9
294.11200	5.1
294.14307	1.2
309.13443	100.0
309.17087	33.4
309.20755	17.8
310.13776	8.5
310.17426	2.9
310.21161	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64160	0.5
54.56939	0.5
57.03450	5.3
59.01384	26.1
65.00340	1.9
67.07114	0.5
69.38534	4.3
71.05026	0.7
73.02961	0.6
81.03464	24.0
82.03821	0.7
83.01403	3.7
83.05039	1.4
95.05048	1.4
97.06590	1.6
98.20640	1.1
107.01402	2.2
109.06596	0.7
112.14128	0.5
121.02968	1.1
121.10257	1.3
122.03741	5.1
123.04550	1.7
125.02452	14.6
125.09797	0.7
136.05247	0.9
139.04016	0.7
139.11363	0.5
141.09267	0.8
146.20618	0.5
151.00380	2.4
152.01195	0.5
162.03287	0.5
163.11310	1.6
165.01933	0.7
165.09206	1.1
166.02856	0.5
181.12352	2.7
183.10233	0.9
183.13863	0.8
185.11874	1.3
195.13890	1.8
197.11908	1.2
205.12328	14.1
206.12674	0.9
207.13939	0.6
209.15404	1.1
211.13406	7.9
221.15430	1.6
223.13435	4.7
223.16956	4.0
225.11366	1.8
225.14981	2.5
233.15594	0.9
235.17073	4.4
247.16998	2.2
249.11320	12.6
250.11726	0.8
251.16570	5.1
265.14465	22.4
265.18085	13.3
266.14783	2.1
266.18341	1.1
267.12384	4.6
273.18771	1.5
288.63055	0.6
291.12610	0.8
291.16312	1.2
291.19653	18.1
292.19916	1.7
309.13449	100.0
309.17099	67.4
309.20755	13.6
310.13776	8.5
310.17429	7.3
310.20889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
52.15642	0.7
58.90947	0.4
65.00323	0.9
83.08980	0.5
85.68126	0.6
89.00320	0.6
91.01884	0.6
95.01385	0.8
96.96011	1.2
119.01398	0.6
124.01681	6.0
135.00806	0.6
139.04001	1.7
147.00888	0.6
149.09824	0.5
151.00333	0.8
152.01157	6.6
163.00423	0.7
165.01898	0.7
166.02676	2.0
174.81828	0.6
179.03467	2.6
181.78580	0.6
216.97766	0.7
218.99313	0.6
235.09688	0.6
253.56094	0.5
288.96353	1.0
306.97037	0.5
307.19165	25.6
307.22763	100.0
308.19550	2.7
308.23120	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	98.0
71.01392	74.8
71.59574	5.7
72.99333	7.2
73.02961	35.3
74.99081	5.9
75.00874	13.1
77.20674	6.0
78.95929	8.5
85.02974	31.4
87.00885	12.9
89.02452	67.8
96.96022	54.9
96.96945	10.7
99.00850	10.7
101.02464	37.7
105.44071	7.3
113.02489	32.8
117.01940	53.5
119.03540	31.8
120.99657	14.2
125.02486	7.4
129.05588	17.1
136.99117	8.6
147.06662	32.2
149.06088	12.6
154.40332	6.6
161.04564	14.4
177.05608	17.3
179.05661	15.1
203.03590	8.1
221.04637	14.0
237.06174	8.0
265.03531	15.1
265.07590	6.7
309.02951	11.0
309.06503	21.2
309.08670	9.4
309.11893	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	309.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95165	0.4
56.92252	0.5
57.03431	0.7
58.51236	0.5
59.01372	1.3
67.55877	0.4
69.35249	1.5
69.35661	2.4
71.05020	0.9
73.94708	0.4
79.95764	1.9
86.39807	0.4
95.95244	0.6
96.96014	100.0
97.06590	0.6
98.95618	1.0
99.08178	4.7
104.82517	0.5
109.06601	0.6
111.08143	0.7
121.16935	0.5
127.07681	0.7
129.09221	17.4
140.23766	0.5
154.95612	0.4
229.14458	10.9
230.14780	0.8
256.84479	0.5
261.24533	0.5
265.11142	23.1
266.11456	1.5
309.10132	93.8
310.10428	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.08781	1.0
55.01884	1.0
57.03433	2.3
58.00591	2.8
59.01385	54.1
63.52502	0.9
70.45081	3.2
71.01392	34.9
71.05004	2.9
72.99316	2.8
73.02947	5.5
73.06575	1.1
74.99094	1.3
75.00870	1.4
78.95921	1.8
83.01383	3.1
83.05032	1.1
85.02963	15.2
85.06592	0.9
87.00891	2.4
89.02457	25.0
95.01405	2.8
96.96011	4.9
96.96954	1.7
99.00894	2.2
99.04507	1.9
101.02451	23.0
101.06104	13.6
103.98755	0.9
111.04530	1.3
113.02450	12.8
114.98824	1.1
117.01948	2.2
119.03512	7.9
120.99617	1.6
124.98795	1.3
125.02469	1.2
126.98911	1.3
129.05595	17.9
136.99133	0.8
139.30719	0.9
143.03542	1.0
147.06647	46.8
151.07678	1.1
159.02977	1.8
161.04616	6.0
177.05563	1.6
179.05557	1.6
204.90901	0.9
208.99326	1.1
212.98920	1.4
221.04730	2.7
224.98824	1.7
291.01459	0.8
292.32394	0.9
309.06253	2.6
309.11929	100.0
310.12082	6.4
328.64496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03447	0.9
59.01384	8.1
65.00326	3.6
68.38934	0.7
69.03463	1.8
71.01387	1.1
71.60045	1.0
74.57307	0.7
81.03451	0.9
83.05054	1.1
85.02935	0.8
91.01923	0.8
93.03424	1.0
95.01395	3.7
96.02167	0.8
96.95980	0.9
97.02956	2.8
99.00891	14.7
109.06591	0.8
111.00890	1.7
111.04536	0.8
111.08157	8.9
112.55547	0.6
119.08640	2.6
121.02959	1.3
123.00883	1.7
123.04495	1.2
124.01668	27.0
125.02430	0.9
125.09700	1.2
125.26283	0.7
127.07685	1.3
127.11282	1.0
135.04538	1.1
137.02437	1.7
137.06108	1.8
137.09738	6.6
138.03229	3.5
139.04022	12.6
149.02525	0.8
149.99588	1.2
151.00366	2.1
151.04024	8.8
151.07655	18.9
152.01166	47.8
152.08450	10.4
153.01579	1.4
153.05547	1.7
153.09135	1.0
162.10481	1.2
165.01956	4.4
165.12665	0.8
166.02737	8.9
167.10637	1.0
169.12395	1.6
171.10280	16.6
175.07744	0.9
179.03494	12.2
180.04233	2.0
180.07944	0.8
181.12424	1.4
184.07397	1.8
185.11858	3.9
190.10023	2.1
191.10768	1.3
193.05069	4.4
193.08771	1.3
193.12395	1.2
197.11844	19.8
199.13411	1.0
201.11267	1.4
207.06494	0.9
208.11069	1.9
209.15466	31.0
210.15794	2.1
211.13376	3.1
213.11296	2.0
227.12915	1.3
235.09807	7.0
247.16953	1.6
247.20656	1.0
249.11337	13.1
250.11845	1.1
251.09319	1.6
252.10025	3.6
265.18134	6.7
265.20743	0.9
265.21628	0.8
267.12375	5.5
273.18588	1.6
277.14462	0.9
290.97809	0.9
291.09067	1.8
291.16104	2.3
291.19638	17.2
293.65323	0.8
294.11215	6.8
294.14310	1.4
298.87231	0.8
309.13403	100.0
309.17053	61.3
309.20718	24.3
310.13751	8.4
310.17404	4.8
310.21118	2.5
314.51324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08200	1.1
57.03452	6.3
59.01376	5.6
65.00315	2.1
69.03454	2.4
69.96692	6.9
69.97066	2.5
71.01375	5.5
81.03442	2.1
83.05018	4.7
85.02919	1.6
93.03458	2.0
95.01403	1.9
95.04977	2.0
95.05534	1.4
97.02962	2.6
97.06609	9.5
109.02866	1.3
109.06602	2.0
110.80540	1.4
111.04584	1.5
111.08167	5.8
113.09747	1.5
121.02956	2.1
121.06601	3.0
121.40274	1.4
123.04588	1.8
123.08105	1.4
124.01672	29.4
125.09721	4.5
135.04512	3.1
135.08156	2.2
137.06009	1.6
137.09740	1.9
138.03227	2.5
139.04027	82.5
140.04323	2.0
147.11732	1.4
151.00380	3.9
151.11258	12.1
152.01155	6.7
153.09293	3.5
155.10825	6.3
161.09798	1.7
163.04007	1.4
163.07782	1.3
163.11282	1.8
164.61340	1.3
165.01920	3.8
165.12854	15.6
166.02742	18.5
167.10770	2.4
169.12296	1.9
171.10284	3.0
177.12859	3.4
179.03508	29.8
179.10754	3.8
180.03835	1.6
181.05077	14.4
181.12398	16.8
185.11789	5.2
191.10828	7.2
191.14412	5.1
193.05028	4.7
197.11971	1.6
205.12401	1.9
209.11832	28.2
210.12082	1.7
211.13448	2.4
216.97592	1.6
245.19106	20.5
261.18567	2.1
263.20166	6.5
271.17065	2.1
279.19492	3.8
289.18112	24.9
290.18365	3.1
307.15488	100.0
307.19138	51.6
308.15823	9.2
308.19537	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	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03447	10.4
59.01374	8.4
69.03460	5.2
69.51003	5.7
69.51428	14.2
71.01390	8.5
71.05006	5.5
71.16183	2.5
73.14355	2.7
80.02661	3.7
81.03471	3.1
83.05049	3.8
83.23729	2.0
92.96387	2.7
95.04990	2.9
97.02912	2.8
97.06608	19.0
98.03724	2.5
99.02945	2.7
109.06603	3.1
111.08160	9.5
118.60766	2.6
123.04514	3.8
124.04237	2.4
125.09673	4.3
133.63383	3.0
137.09700	3.7
139.04048	19.2
149.09810	2.3
151.11311	18.1
151.64600	2.1
153.12827	6.5
155.10750	10.1
163.11292	5.2
165.12859	18.5
169.12328	3.4
177.09393	2.3
177.12798	3.0
179.10767	8.3
181.12340	25.8
191.10773	6.3
191.14449	8.7
197.11998	3.1
205.12250	4.7
209.11812	44.8
210.12082	3.2
211.13388	10.3
239.09195	3.0
245.19101	36.7
263.20096	9.7
279.19666	6.3
289.15051	4.0
289.18112	45.7
290.18365	3.6
307.11899	3.1
307.15701	6.8
307.19153	100.0
308.19434	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	307.1915
Annotation	[7]-Gingerol
Peak:m/z	Relative Intensity
65.00345	0.4
68.48766	0.2
71.61293	0.4
72.03580	0.3
77.03966	0.6
79.01903	1.0
96.95988	0.3
97.02968	0.3
103.01895	0.3
105.03397	0.6
107.04977	0.2
109.02970	1.4
110.00069	0.3
111.04510	0.6
121.02999	0.4
123.00912	0.4
124.30476	0.2
135.00735	0.2
135.04510	0.8
137.02422	1.9
138.03232	11.9
139.03918	0.5
149.06027	0.7
151.04015	0.7
152.04808	0.3
153.05576	8.5
154.05948	0.3
163.00345	0.3
164.01137	0.9
165.01944	6.1
165.05554	0.4
166.02716	24.4
167.03036	1.0
170.02190	0.9
171.13933	0.4
179.03482	2.8
180.04279	5.6
181.04947	0.3
193.05060	9.1
194.05640	0.7
205.12416	0.3
207.06622	1.6
208.74274	0.3
212.03348	0.4
221.08231	0.4
231.17557	1.8
235.09753	0.9
236.10564	0.3
249.11299	1.0
263.12839	1.0
263.16467	0.4
263.20227	0.4
275.16693	0.3
277.14462	0.5
285.23074	0.3
291.16080	2.4
292.16818	8.8
293.17105	0.7
307.19153	100.0
308.19489	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03450	12.1
59.01379	1.5
65.03969	11.7
66.72240	0.7
69.03461	1.0
71.05025	8.8
73.02978	0.8
79.01889	4.6
81.03468	2.0
83.05045	2.2
85.06590	5.2
93.03478	1.0
95.05039	2.0
96.96032	1.6
97.02950	2.9
97.06592	13.3
109.06588	8.7
111.04520	5.4
117.07129	1.0
119.08664	3.0
121.05788	1.5
121.06606	17.3
123.04462	0.9
123.08183	1.6
124.05329	3.6
124.47146	0.7
125.09746	8.6
135.04506	4.8
135.08186	3.5
136.05360	1.2
137.09731	1.5
151.04025	1.2
153.05580	33.9
154.05956	1.5
165.12785	1.1
171.10292	1.5
177.12798	1.1
179.03468	2.9
180.04216	0.9
185.11858	14.1
200.81082	0.7
205.12424	0.7
205.15938	1.2
209.11769	6.8
211.13383	5.4
225.14961	3.0
231.14183	1.0
233.15509	1.2
235.13402	15.9
245.15413	2.4
247.16884	0.8
249.14975	33.4
250.15282	1.6
261.14908	0.9
263.16504	3.5
274.90829	0.7
289.14578	1.7
289.17972	9.6
307.15552	100.0
307.19095	7.7
308.15869	11.5
308.19113	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21753	1.3
52.84433	1.4
57.03437	5.3
59.01394	6.9
59.54889	1.2
62.30762	1.5
67.01912	2.1
68.31115	1.6
69.03471	2.3
69.78594	1.2
70.93713	3.1
80.02686	2.5
81.03465	6.2
83.01375	6.8
83.05034	6.0
91.13319	1.4
95.05020	4.6
97.02962	5.3
97.06606	11.3
106.04284	1.7
109.06577	2.9
119.08701	2.1
121.06621	4.1
123.04534	11.6
123.08163	5.0
125.09729	18.4
135.08176	2.1
137.06004	1.6
137.09747	13.5
138.10069	1.7
141.12869	3.5
148.60936	1.4
149.06084	1.8
151.11235	1.6
160.09010	1.4
161.09790	2.0
163.07677	2.1
163.11308	18.5
165.09242	2.1
165.12854	4.2
167.10776	2.3
171.10316	2.8
177.12915	1.5
181.12328	4.1
185.11823	19.1
191.10742	4.1
191.14415	22.8
205.53772	1.5
207.10291	9.2
209.09865	2.3
209.11852	39.8
210.12160	2.2
211.13425	2.2
217.15898	2.5
225.11340	8.1
226.11925	2.1
245.19104	41.0
246.19466	5.5
263.20233	3.7
271.16928	3.4
279.19672	1.7
289.18094	100.0
290.18442	10.8
307.16006	2.3
307.19159	59.6
308.19446	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.03450	12.4
59.01382	1.6
65.03973	11.5
70.60190	0.8
70.60540	2.1
71.01488	0.6
71.05025	9.0
71.80170	0.7
79.01900	3.6
79.05538	1.7
80.02722	1.1
81.03477	2.7
83.05057	2.1
85.02953	0.9
85.06588	5.0
91.05523	0.9
93.03474	1.6
95.05028	1.4
96.96011	1.3
97.02963	2.6
97.06593	13.9
102.00706	0.7
109.06615	8.5
111.04514	7.3
113.77235	0.7
114.41150	0.7
114.97761	0.7
119.08686	3.0
121.06605	22.3
123.08181	2.2
124.05316	5.7
125.09746	8.6
126.10113	0.9
135.04510	3.3
135.08182	4.4
136.05312	1.1
137.09760	1.0
139.04066	0.7
147.95383	0.7
149.06059	1.1
151.04030	1.1
153.05586	31.5
154.05978	1.8
163.00296	0.8
163.49129	0.8
165.12946	1.4
171.10295	2.7
176.53851	0.7
179.03511	1.6
180.04271	0.8
185.11839	16.9
190.06277	1.1
209.11874	6.4
211.13428	6.2
225.15050	1.7
235.13390	19.4
236.13763	1.1
245.15512	2.6
249.14972	37.0
250.15364	2.9
251.95348	0.8
263.16602	3.4
265.17941	0.8
289.14954	1.4
289.18127	8.4
307.15579	100.0
307.19162	11.5
308.15976	8.5
308.19324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01810	0.6
57.03356	0.9
57.03621	0.5
59.01272	5.7
59.01612	1.7
60.34994	0.3
63.09378	0.3
65.00228	0.3
68.31760	0.3
69.03359	0.7
69.47128	0.5
69.47523	1.9
69.73424	0.3
71.04909	2.4
71.05334	0.7
71.32525	0.3
79.01772	8.7
79.02288	1.3
80.02561	0.5
81.03344	1.8
83.01323	0.5
83.04897	1.3
91.54205	0.3
93.03358	0.3
95.04892	1.8
96.95876	1.0
97.02816	1.3
97.06462	1.2
98.03647	0.8
106.04144	0.4
107.04930	0.5
109.02859	0.7
109.06455	6.4
109.07255	0.5
111.04382	3.6
111.08044	0.6
119.01296	0.5
121.06497	0.6
122.03664	0.4
123.00766	0.6
123.04436	0.7
123.08020	1.1
124.01666	2.5
124.04631	0.3
125.02453	21.4
125.03286	1.2
126.02690	0.7
127.07632	1.8
135.08063	0.5
137.02452	2.0
137.06023	0.7
137.09572	0.4
138.03239	7.9
139.03844	1.0
143.10657	0.6
145.06487	0.8
147.00807	0.4
147.08011	0.4
149.05939	1.0
149.09621	0.6
151.00369	5.9
151.03848	0.5
151.11179	0.7
152.01007	0.9
153.05583	1.8
153.09099	0.3
159.08015	0.4
162.03235	1.6
163.00249	0.4
163.04008	2.2
163.07474	0.3
163.11211	0.5
165.01828	1.2
166.02740	3.9
167.10706	1.1
170.02217	4.3
175.03835	0.8
176.04729	0.4
179.03558	1.9
179.10696	0.8
181.12178	0.4
193.04941	0.9
195.13933	2.0
203.10732	1.5
216.97820	0.4
221.08194	0.5
221.11621	0.4
222.72177	0.4
223.13242	1.0
233.15344	0.5
234.98779	0.4
235.13284	0.7
245.19090	2.5
247.09758	3.5
248.10161	0.5
249.11154	0.3
249.14880	0.8
251.16716	0.5
263.16592	2.3
265.17297	0.3
271.16974	0.7
280.55341	0.3
287.16446	0.7
289.14615	3.6
289.18076	45.9
290.15210	0.6
290.18414	3.7
294.74039	0.3
307.12042	6.6
307.15509	100.0
307.18903	6.6
308.12305	0.6
308.15848	8.1
308.19342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1553
Annotation	Neovasinin
Peak:m/z	Relative Intensity
57.03451	10.5
59.01377	2.9
63.02385	0.8
64.55379	0.7
65.00334	1.2
71.01369	0.8
71.16063	0.7
71.61242	0.9
81.03474	1.4
83.01401	7.8
85.03069	0.7
91.01944	1.0
96.96013	1.0
107.01410	0.8
119.01408	1.9
123.04568	1.0
124.01680	14.8
125.02460	100.0
126.02798	2.2
128.31129	0.6
129.43146	0.7
129.58411	0.8
130.11185	0.6
135.04482	0.7
139.04031	36.1
140.04411	0.7
147.00922	1.1
149.02463	1.9
151.00398	0.8
152.01129	0.9
167.03548	1.0
181.12354	3.3
190.75334	0.7
190.99844	0.8
220.94861	0.7
234.98988	1.1
263.01730	0.6
263.16656	0.6
289.14627	0.9
289.18051	1.3
290.05591	0.6
307.11978	1.5
307.15579	21.6
307.19238	2.0
307.22751	0.9
308.16016	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	307.1552
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
57.03454	3.9
59.01384	4.9
62.99746	0.6
63.02391	1.6
64.91695	0.6
65.00328	2.5
69.03460	1.8
71.01371	2.1
71.60435	0.6
80.44843	0.5
81.03453	0.9
83.01402	1.2
83.05029	1.5
85.02946	1.1
88.34420	0.6
89.00355	0.7
91.01889	1.9
93.03452	1.6
95.01386	3.3
95.05022	1.0
96.96010	1.4
97.02949	2.1
97.06596	4.4
97.65968	0.6
105.03466	1.4
107.01377	0.9
107.05063	1.1
109.06593	1.5
111.00916	0.7
111.04514	1.7
111.08141	1.8
113.09751	2.1
119.01365	0.8
121.03013	0.6
121.06622	0.9
122.03792	0.8
123.00850	1.2
123.04515	1.0
124.01672	31.7
125.09694	1.5
133.06596	1.0
135.04533	2.3
137.02452	2.1
137.06084	1.8
137.09793	0.6
138.03236	4.4
139.04025	86.1
140.04388	2.9
148.01636	0.8
149.09720	0.9
149.99658	0.7
151.00365	3.5
151.04025	0.6
151.07762	0.7
151.11269	4.2
152.01196	9.1
153.05659	0.6
153.09248	0.7
153.12871	0.6
155.10796	2.0
163.00366	1.4
163.03983	1.6
163.11430	0.8
164.01236	0.6
165.01932	3.5
165.12837	5.7
166.02719	15.5
167.10805	0.7
171.10303	0.9
177.05505	0.8
178.02750	0.7
179.03516	35.9
179.10832	1.7
180.03854	1.5
181.05070	12.5
181.12341	5.0
185.11777	1.0
190.99887	0.9
191.10861	3.3
191.14453	1.9
193.05008	5.3
209.11830	12.4
210.12183	0.7
211.13405	2.3
216.97885	1.2
228.26711	0.7
245.19035	7.8
249.07613	0.8
263.20227	2.3
271.17163	1.1
279.19757	1.3
287.95840	0.6
289.18118	9.3
290.18518	1.1
307.15613	100.0
307.19211	19.5
307.22971	2.2
308.15939	8.3
308.19507	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13110	0.7
57.03448	2.3
59.01380	1.5
62.31740	0.6
65.00336	1.5
81.03468	20.6
82.03771	0.6
83.01395	1.7
88.60416	0.6
104.45029	0.5
107.01383	0.7
122.03772	3.6
125.02472	6.2
151.00385	2.3
181.15764	0.6
197.19096	1.2
199.17137	0.7
220.59419	0.7
221.19139	5.3
223.17056	9.2
224.17366	0.9
263.20181	48.6
264.20508	3.9
289.18073	1.6
307.19171	100.0
308.19504	9.0
315.21506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.47242	0.3
57.03445	0.4
68.70750	0.3
69.99136	1.3
73.02932	0.8
79.01892	4.4
81.03442	0.3
83.49352	0.3
85.06591	5.4
91.05534	1.0
97.02960	2.3
107.05024	0.8
109.06595	7.0
111.04527	7.4
117.59198	0.3
123.04493	0.5
135.04544	4.3
135.58485	0.3
143.79562	0.3
149.06081	0.5
151.04001	1.1
151.25768	0.3
153.05582	26.3
154.05927	1.2
162.06850	0.6
169.15991	0.7
176.04819	0.5
177.57545	0.3
179.03503	2.7
180.04349	0.4
195.13892	2.9
207.17558	5.1
208.18060	0.4
221.19051	0.5
261.18613	1.6
263.20157	17.6
264.20526	1.6
269.86102	0.3
289.18164	1.4
305.17529	0.5
307.19156	100.0
308.19501	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88257	0.8
59.01387	71.0
65.00331	3.4
66.04451	0.8
66.66885	0.8
69.03465	1.3
71.05015	1.7
76.00558	0.8
79.01925	1.6
83.01394	1.5
85.06593	1.7
93.03449	0.9
95.01370	1.1
97.02965	2.0
97.06567	2.1
99.00888	3.6
109.02959	2.1
109.06593	3.9
110.00108	1.0
111.04490	4.2
119.05020	1.2
119.90632	0.8
121.02905	1.1
121.06642	0.8
122.03698	1.6
123.00901	1.3
124.01683	12.4
125.02466	1.2
135.04573	2.1
137.02448	6.8
138.03256	13.1
139.04031	13.2
147.08189	15.5
149.06186	0.9
150.03189	2.8
151.00331	0.9
151.04001	2.1
152.01160	21.8
153.01532	0.9
153.05591	25.9
161.02466	0.9
163.00346	1.5
165.01949	18.5
165.05566	4.2
166.02711	15.0
171.08156	2.9
175.04047	1.3
176.04759	1.6
177.01924	3.8
178.02719	2.3
179.03491	13.3
180.04373	4.2
187.07617	1.2
191.07123	1.4
191.10945	0.9
193.05058	12.4
194.05482	1.0
198.01846	0.9
203.10809	4.8
207.06671	2.4
215.07166	11.1
221.08134	2.8
232.07402	2.4
233.08028	1.9
235.09805	2.0
247.09760	70.9
248.10147	5.4
263.16537	2.8
275.12927	2.9
291.12439	1.8
307.11871	60.4
307.15512	100.0
308.12183	5.4
308.15848	8.9
327.55847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03452	3.0
59.01379	2.0
63.02383	0.3
65.00326	1.5
69.03464	0.6
69.36480	1.6
69.36877	0.4
71.05019	1.8
74.84209	0.2
80.02672	0.4
81.03461	13.6
82.03794	0.3
82.24854	0.2
83.01387	2.1
83.05032	2.4
85.06608	0.2
95.01424	0.2
95.05022	1.0
96.71465	0.2
97.02983	0.3
97.06585	1.8
107.01421	1.6
107.05048	0.4
109.02954	0.3
109.06599	0.7
119.98636	0.2
120.08084	0.2
121.03011	0.5
121.06605	0.4
122.03745	3.1
123.04543	0.4
123.08177	0.4
124.01651	0.3
125.02449	11.5
125.09717	0.9
126.02785	0.3
131.70030	0.2
135.04535	0.7
136.05295	0.5
149.06078	0.6
151.00378	2.2
151.11356	0.3
152.01021	0.3
161.09760	0.2
162.03239	0.5
163.07631	0.4
163.11284	0.3
165.12807	0.3
166.02693	0.5
168.04274	0.4
169.12213	0.2
179.03546	0.4
179.14342	0.5
181.12334	0.4
185.11838	0.5
189.12831	0.4
197.15456	0.7
199.13419	0.2
203.10826	0.3
205.12248	0.4
207.13942	0.2
221.15468	2.8
222.15877	0.2
223.13399	2.4
233.15651	0.3
235.13342	1.6
235.16988	0.2
243.93587	0.2
245.15517	1.8
247.09744	0.7
249.14955	0.4
261.14972	0.3
263.16507	11.3
264.16879	1.3
265.14581	0.3
289.14407	0.8
307.15506	100.0
308.15836	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	307.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28139	0.6
57.03457	3.2
59.01384	29.1
61.19989	0.6
65.00319	1.8
69.03445	0.9
71.05035	3.9
75.07182	0.6
81.02981	1.1
81.03462	20.3
83.01382	2.0
83.05018	2.4
85.06587	0.8
95.01386	0.6
95.05026	1.7
96.95999	1.4
97.02942	1.3
97.06581	2.3
107.01376	1.3
107.04991	0.8
109.02964	0.7
109.06622	1.3
111.04486	1.5
111.08172	1.4
121.02991	0.8
122.03740	2.7
125.02464	10.5
125.09718	7.9
133.06648	1.0
135.04512	1.0
137.09706	0.6
143.66286	0.6
147.08101	1.2
151.00378	1.1
153.05566	3.4
163.00343	0.6
165.01971	0.9
165.12839	2.7
166.02689	1.0
175.04008	2.0
176.04823	0.8
179.03458	1.7
179.14435	0.8
181.12410	0.7
191.03496	1.1
191.07137	0.6
197.15533	1.1
203.10872	1.4
203.91435	0.7
215.07121	0.9
221.15453	2.3
223.09805	0.8
223.13493	1.3
247.09756	9.8
248.10114	0.6
263.16531	26.9
264.16815	1.9
265.14679	0.6
289.14346	1.1
289.17719	1.9
307.11926	13.4
307.15472	100.0
308.12476	1.0
308.15848	8.6
316.19589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18377	0.3
55.01884	1.6
57.03456	2.9
59.51206	0.3
61.13519	0.2
69.03468	0.5
70.06962	0.8
70.24092	0.2
71.05037	1.2
79.01898	3.3
81.03491	0.4
83.05030	0.5
85.06593	6.9
91.05544	0.9
93.03481	0.3
95.05032	0.6
97.02953	2.4
97.06609	1.6
107.05038	1.0
109.02946	0.3
109.06597	10.4
111.04522	8.3
121.06595	0.4
123.04545	0.6
123.08183	0.6
135.04532	4.0
135.08156	0.5
135.86339	0.2
136.05244	0.7
138.03233	0.4
149.06056	0.6
149.09700	0.4
150.06851	0.3
151.03998	1.4
151.07669	0.7
151.11191	0.4
153.05585	40.3
154.05949	1.5
165.05536	0.3
176.04776	0.3
178.06316	0.4
179.03474	2.7
180.04240	1.1
187.11346	0.3
189.12892	0.6
194.05817	0.5
195.10329	0.6
205.12286	0.4
207.06625	0.5
207.13957	0.6
234.12595	0.3
244.28465	0.3
245.15468	1.8
248.14204	0.3
261.14859	1.2
263.16501	1.8
263.30350	0.3
289.14536	0.9
305.13986	0.6
307.15518	100.0
308.15839	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	307.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54966	0.3
69.55074	3.1
71.01385	0.6
72.99313	0.9
73.02953	9.6
79.95737	2.6
87.04523	3.9
96.96017	100.0
97.96004	0.5
147.11841	0.6
165.12848	0.9
181.12390	0.8
209.11865	2.1
227.12875	7.6
245.08519	1.2
257.39163	0.4
263.09607	1.1
289.07617	1.0
307.08578	52.3
308.08920	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01382	94.6
65.00332	3.9
69.03471	1.2
70.64133	0.9
71.36595	1.0
75.63617	0.9
79.01914	1.2
81.03477	1.7
83.01404	1.1
89.75372	1.0
95.01403	1.7
95.05016	1.1
97.02938	2.3
97.06591	1.4
98.19804	1.6
99.00891	4.7
109.06608	3.7
111.04514	3.5
114.51474	0.9
121.02961	1.2
122.03762	1.5
123.04530	1.4
124.01672	16.9
125.02492	1.1
135.04527	3.2
137.02467	8.5
138.03238	10.6
139.04028	18.3
147.08170	23.8
148.08458	1.3
149.02374	1.4
149.06021	1.4
150.03253	2.8
151.00385	2.7
151.04007	2.7
151.11307	1.4
152.01161	27.7
153.05582	22.5
159.04515	1.3
161.02478	2.6
161.06146	1.6
163.00401	1.6
165.01929	21.0
165.05548	4.5
166.02730	13.5
171.08128	5.3
175.03981	2.2
176.04712	2.5
177.01918	4.8
178.02708	1.8
179.03508	19.2
180.04161	2.5
187.07631	1.6
191.07141	2.2
193.05066	14.8
203.10774	5.3
205.08730	1.4
207.06676	1.2
213.05536	1.2
215.07123	14.1
221.08203	2.7
232.07388	3.9
233.08099	1.9
235.09761	1.8
247.09753	98.9
248.10155	7.8
263.16571	4.7
265.10611	1.9
275.12808	2.8
277.10602	1.4
289.18329	1.0
291.12112	1.2
307.11847	100.0
307.15509	87.1
308.12189	8.8
308.15863	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63067	0.3
54.88266	0.3
59.96746	0.3
60.97543	0.3
66.21161	0.3
69.46428	2.4
74.99074	5.2
74.99487	0.3
83.28397	0.3
89.34479	0.3
91.02222	2.0
93.00128	1.7
132.38071	0.3
149.00926	2.4
158.52121	0.3
159.08466	6.8
161.06430	2.0
163.00331	0.3
192.98227	0.3
206.99698	1.3
209.01198	2.9
217.07185	0.9
223.02841	49.6
224.02896	3.6
241.03941	0.7
289.07605	1.8
289.18027	1.1
291.09113	100.0
292.05844	0.7
292.09225	11.4
307.12225	3.0
307.15503	0.5
308.12253	0.4
309.10165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
59.96725	0.4
64.18740	0.4
67.06274	0.4
71.60673	0.4
74.99079	5.4
85.02922	0.6
91.02225	2.8
93.00129	2.5
112.45943	0.4
118.98542	0.4
149.00955	3.2
149.43370	0.4
159.08484	6.7
161.06400	1.5
190.52638	0.4
192.98187	0.5
206.99689	1.2
209.01274	3.2
210.01361	0.5
216.97734	0.6
217.07243	0.6
223.02838	47.5
224.02934	4.5
225.00867	0.4
234.98903	0.5
241.03954	0.8
243.98961	0.4
250.88757	0.5
275.05975	0.8
289.07465	2.1
289.18076	1.1
291.09113	100.0
292.09235	11.7
306.97360	0.6
307.09036	0.5
307.12476	2.8
307.15656	1.1
307.18683	1.9
307.22562	0.4
308.12378	0.6
309.10217	1.6
326.67645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0283
Annotation	Resveratrol-3-O-sulfate
Peak:m/z	Relative Intensity
56.23998	0.4
60.90493	0.5
64.03549	0.5
64.18028	0.4
66.70016	0.5
70.08186	2.4
76.24481	0.5
92.02720	0.6
93.03465	36.8
94.03791	0.8
95.01402	1.0
96.96032	1.9
98.95594	4.4
98.96162	0.5
98.96467	0.5
107.05048	4.3
108.02174	1.1
117.39826	0.5
121.02963	38.4
122.03291	1.0
136.01665	1.5
137.02484	0.6
187.00703	3.7
197.06090	9.9
198.06483	0.9
199.07643	4.6
199.21524	0.6
209.06180	1.0
225.05466	0.8
227.07152	100.0
228.07484	6.0
239.79736	0.6
278.97757	0.5
307.02832	47.0
308.03149	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
51.44402	0.4
51.87709	0.4
59.01379	36.3
69.18020	0.4
69.31860	3.6
69.32270	1.3
79.95727	1.2
96.96009	100.0
100.85194	0.5
123.08193	0.9
134.86682	0.5
167.10806	1.2
169.48596	0.5
192.88544	0.5
227.12886	22.5
228.13220	1.8
247.06042	0.7
307.08563	83.8
308.08932	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	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
57.03441	1.0
69.32175	0.5
69.32599	1.9
71.05017	0.4
79.95741	27.0
87.04523	3.6
95.95193	0.6
96.96015	100.0
99.00872	0.4
111.08172	1.1
111.90942	0.2
167.00313	0.3
183.13890	0.4
206.06146	0.9
207.06882	0.3
218.68161	0.3
227.12907	4.7
230.34377	0.2
263.09723	0.4
263.49295	0.2
307.08575	43.9
308.08923	2.1
309.60880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
53.27566	0.8
55.01879	1.2
57.03450	3.1
57.88037	0.8
59.01383	4.1
65.00326	1.7
69.03463	1.7
69.63543	1.0
70.72002	2.7
71.01375	1.4
71.05025	37.4
80.02660	1.5
81.03466	3.3
83.05025	2.3
83.85712	0.9
89.00366	1.9
93.03474	2.1
95.01415	1.1
95.05030	20.3
96.95969	0.9
97.02975	2.0
97.06570	1.9
106.04259	1.6
107.05058	3.1
109.02938	1.5
109.06596	14.2
111.04548	1.0
119.05082	1.4
120.05866	1.4
121.02975	1.5
121.06572	5.3
122.03741	2.8
123.04561	1.7
123.08178	2.3
124.01720	1.8
125.02366	1.0
125.09712	1.0
127.07675	2.1
135.08214	4.7
137.02470	2.0
139.04025	9.8
139.07645	1.9
147.04509	2.1
147.08142	3.2
147.22205	1.0
149.06094	2.1
149.09772	1.5
150.06781	1.4
152.01138	1.5
153.05577	1.0
160.98828	2.1
161.06104	2.3
161.09717	1.1
165.02011	5.6
165.09215	9.7
174.73537	1.0
175.07637	1.6
177.01924	5.0
181.05078	1.9
185.11862	2.3
189.12834	14.0
191.03572	1.1
201.12968	1.1
203.14526	1.2
205.05235	1.3
205.15968	9.3
206.16139	1.1
231.13863	2.4
232.97289	3.0
233.11818	7.7
243.17513	10.8
243.53976	1.0
249.14952	11.5
261.14789	0.9
261.18582	2.9
263.16495	2.2
269.15488	2.5
287.16550	73.4
288.16940	7.5
304.06851	0.9
305.13962	35.2
305.17609	100.0
306.14288	3.4
306.17987	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	305.2125
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
51.97505	0.9
55.01880	1.0
56.16995	1.0
59.01375	1.5
71.01371	0.9
79.01898	2.0
79.10654	1.1
80.02692	1.3
82.15621	1.1
83.05027	1.4
89.00326	2.3
91.23528	1.1
93.03429	2.4
95.05031	61.0
96.05372	1.3
96.96030	1.8
97.59994	1.0
120.19847	0.9
139.04021	1.2
160.98817	3.0
188.98320	1.7
192.03218	1.3
207.17542	10.6
232.97249	2.4
233.19467	1.1
261.22235	100.0
262.22586	9.4
262.62241	1.1
277.29099	1.1
305.06726	1.4
305.17191	9.1
305.21204	75.9
306.21646	6.6
328.61819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	0.6
59.01372	3.1
60.02364	0.6
65.00350	1.3
69.84904	0.5
71.01413	1.0
71.60390	1.3
74.99097	0.7
75.02454	0.7
78.95901	0.7
82.09932	0.8
85.02977	1.1
93.03486	1.1
96.96015	9.0
98.95624	1.6
102.01682	0.7
109.02975	1.3
117.03470	1.4
120.99673	1.3
121.02920	3.2
125.02479	0.9
130.08725	0.7
133.02950	0.9
135.04559	2.8
137.02469	2.9
145.02991	2.4
147.04524	1.5
148.01685	1.3
149.02452	5.4
151.04033	0.8
161.02499	1.4
163.04033	3.5
164.01141	1.0
165.01953	4.8
173.02470	2.2
175.00418	1.3
175.04074	1.0
177.01913	1.4
189.01961	3.0
191.03471	5.5
192.00645	10.0
193.01427	35.5
194.01772	1.4
201.05717	0.7
207.02968	1.8
212.60532	0.7
217.01418	6.5
218.01830	0.7
219.03011	2.8
221.00952	2.2
227.12769	0.8
235.02490	32.0
236.02818	1.5
245.00917	5.3
263.01971	100.0
264.02301	6.5
279.45117	0.6
307.00974	23.6
307.04669	1.8
307.07999	3.7
307.17752	2.4
308.01425	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
57.82186	0.4
59.01377	0.6
65.00326	4.5
67.01919	0.4
67.80691	0.4
69.57047	2.7
81.03464	22.7
82.03776	0.4
83.01395	4.5
84.44423	0.4
89.00343	0.7
95.05045	0.6
96.03322	0.4
106.04259	0.5
107.01391	4.8
107.05068	0.5
108.02188	0.9
114.98335	0.4
118.91010	0.4
121.02932	0.5
122.03735	1.3
124.01683	1.2
125.02464	6.8
130.86546	0.4
134.03789	0.9
135.23137	0.4
137.06108	0.5
137.75926	0.4
148.05316	0.9
150.99164	0.7
151.00381	10.4
152.01057	0.8
160.98816	0.7
163.03943	0.5
166.02724	1.2
174.03197	0.4
175.07628	0.6
177.16609	0.5
179.14325	0.9
188.04709	0.7
195.17555	0.8
219.17540	3.5
221.15475	4.7
232.97246	0.7
261.18597	25.5
262.18924	2.7
287.16541	1.5
305.17599	100.0
306.17957	9.0
306.21188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03457	0.5
59.01358	0.5
69.57746	2.7
79.01899	5.9
81.03467	0.9
85.03004	0.4
85.06605	5.1
89.00342	0.7
91.05546	1.7
96.96111	0.4
97.02968	1.7
98.20619	0.5
107.04993	0.8
109.06609	7.4
111.04533	6.8
123.04531	1.1
125.02388	0.4
135.04553	6.1
148.05316	0.5
151.04018	2.2
152.04776	0.9
153.05589	24.6
154.05945	1.2
160.98859	0.8
162.06908	0.6
179.03525	6.5
180.04294	3.1
193.12317	2.2
194.05824	0.4
205.05034	0.4
205.15973	2.7
232.97360	1.2
233.00978	0.4
259.17047	2.2
261.18610	14.4
262.18854	0.9
263.16595	0.5
277.18109	0.7
287.16544	1.8
303.16052	0.5
305.17599	100.0
306.17950	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69616	0.6
57.03445	2.0
59.01376	1.3
65.00326	1.7
69.68163	1.3
69.68569	1.9
81.03464	16.7
83.01403	2.6
95.05041	1.3
98.19809	0.7
107.01372	0.8
123.04550	8.4
124.01640	0.9
125.02457	6.6
135.04527	1.1
151.00391	1.7
162.03206	1.1
167.03522	1.6
179.03511	1.2
186.59599	0.5
197.15462	0.8
219.17622	0.6
221.15486	4.2
261.18613	40.4
262.18903	3.4
305.17609	100.0
306.17960	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
63.02393	0.5
64.81942	0.5
65.00336	6.1
66.39956	0.5
70.93034	1.6
77.95494	0.5
81.03467	21.8
82.03800	0.9
83.01407	4.4
105.93246	0.6
107.01400	5.4
107.05016	0.7
122.03784	1.2
124.01675	2.5
125.02464	8.2
131.56300	0.5
136.67393	0.5
148.05273	0.9
151.00388	10.8
152.01033	1.1
163.04062	0.8
175.07581	0.6
176.08354	0.6
179.14395	1.2
188.04810	0.7
202.36641	0.6
212.85869	0.5
219.17511	2.5
221.15436	4.0
261.18619	23.5
262.18967	1.7
287.16531	1.6
305.17599	100.0
306.17972	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	305.1395
Annotation	Tenulin
Peak:m/z	Relative Intensity
57.03452	5.4
59.01374	2.6
65.00328	1.3
68.99819	1.1
69.03457	2.7
71.01371	0.6
71.09556	1.5
71.34547	0.6
72.53783	0.5
75.45655	0.5
79.01910	1.1
80.86269	0.7
81.03459	13.4
83.01396	2.5
83.05020	2.3
85.02953	1.0
85.06598	1.7
89.00342	1.3
93.03486	0.6
95.05006	1.3
96.96010	0.7
97.02946	0.9
105.00349	0.6
107.01411	0.6
107.04988	0.6
109.06597	2.6
111.04514	1.4
121.06554	0.8
122.03737	1.4
123.04517	1.1
123.08200	0.7
125.02454	21.5
126.02781	0.7
135.04538	2.3
136.05299	0.7
139.04060	1.4
149.06064	0.9
151.00441	1.2
151.04021	0.7
151.07663	1.0
151.11237	0.8
152.00990	0.6
153.05571	5.8
160.98825	2.3
161.02431	0.7
176.60130	0.7
177.12866	2.1
179.03514	1.6
179.10838	1.4
191.14468	1.5
193.12439	0.7
195.13795	0.6
201.12866	1.6
203.10765	0.8
219.13910	5.0
221.11931	1.2
222.82184	0.7
232.97377	1.9
233.15457	2.1
259.13403	0.8
261.14890	7.9
262.15277	0.6
277.14514	1.2
287.12979	1.4
305.13965	100.0
306.14261	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	305.1396
Annotation	Tenulin
Peak:m/z	Relative Intensity
55.01863	0.4
57.03451	6.5
59.01384	2.5
63.02401	0.7
65.00026	0.5
65.00327	3.4
67.01893	0.5
68.99824	0.4
69.03465	4.3
71.01391	0.8
71.05024	3.4
79.05538	0.7
81.03464	20.1
83.01394	4.8
83.05025	1.6
85.98744	0.4
88.16869	0.3
89.00337	0.9
93.03473	3.1
95.01411	1.4
95.05038	1.8
96.35865	0.3
97.02953	2.0
97.06601	1.5
106.04263	0.5
107.01423	2.2
107.02022	0.3
108.02180	0.6
109.02969	0.4
109.06594	9.0
111.04545	0.5
121.02948	0.6
121.06599	0.8
122.03746	1.2
123.00899	1.3
123.04510	1.1
123.08187	1.6
125.02458	38.0
125.09734	3.2
126.02795	0.7
133.03070	0.3
134.03735	0.4
135.04532	2.2
135.08167	4.3
136.08455	0.4
137.02499	0.9
137.09705	0.7
137.29561	0.3
139.04019	0.8
149.06119	0.4
149.09763	0.6
151.00418	2.2
151.11253	0.6
153.05595	2.0
160.98830	0.7
161.02547	0.4
163.11256	0.4
175.11337	0.6
177.12845	2.4
179.10777	2.6
195.13919	0.8
197.11836	0.5
201.12871	1.1
205.12337	0.4
205.15999	0.6
219.13947	2.0
221.11838	3.2
232.97249	1.0
233.15514	1.0
243.13829	0.7
249.14973	2.2
261.14975	6.3
262.15363	0.6
277.14474	4.4
278.14706	0.4
287.12897	0.9
287.16315	0.8
305.13974	100.0
305.17352	5.2
306.14328	9.3
306.17569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03452	7.6
61.32349	0.7
64.34853	0.7
69.03477	1.1
69.49513	5.4
81.03465	2.5
81.95058	0.7
83.01396	4.2
83.05074	0.8
93.03482	3.1
95.01379	1.8
95.05043	3.9
95.05534	0.6
95.09429	0.7
96.96048	0.8
97.02961	4.4
98.19820	1.1
109.02220	0.8
109.02956	13.8
110.03276	1.0
111.04519	5.6
121.02969	2.6
123.00908	5.9
123.04544	1.6
124.01683	5.0
125.02450	100.0
126.02792	2.8
133.06613	0.8
135.04527	1.9
137.02448	29.6
138.03220	1.5
139.04019	19.9
140.04343	0.8
147.04497	1.0
149.02451	1.4
149.06123	1.4
151.04033	2.5
159.04482	1.7
161.02437	2.8
164.01167	7.5
165.01936	20.8
166.02638	1.3
167.03493	22.7
173.06058	0.9
175.04033	4.1
175.07578	1.1
175.11205	0.7
176.04750	1.2
177.01921	2.6
177.05548	5.7
178.02650	1.1
179.03503	22.1
180.03874	1.5
191.07140	2.4
201.05603	1.3
203.03496	2.6
203.05304	0.7
204.04268	3.6
205.04861	0.7
219.06606	16.4
221.04541	7.5
233.08040	1.5
237.07649	1.9
243.06596	1.8
261.07687	8.0
270.62433	0.7
287.05646	0.9
305.06662	65.6
306.06955	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00695	0.3
52.58538	0.5
59.01384	38.4
69.50606	2.3
69.51023	0.8
79.95727	2.1
96.96015	97.9
97.06608	0.8
125.29347	0.3
134.94031	0.4
135.08096	0.4
147.08153	1.3
165.09090	0.5
181.12309	0.4
225.11325	21.6
226.11627	0.9
305.07010	100.0
306.07303	4.3
315.18503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82759	0.2
71.23666	0.2
79.95744	3.1
95.95241	1.1
96.96020	100.0
97.95963	0.6
110.97591	10.1
123.10459	0.2
131.24648	0.2
232.97246	0.2
234.53134	0.2
255.47313	0.2
273.08063	1.3
305.10663	35.7
306.10995	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	305.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08416	0.2
57.74696	0.2
71.21905	0.2
73.93253	0.2
79.95749	1.6
81.77687	0.2
85.92255	0.2
92.18417	0.2
96.96017	100.0
97.95927	0.3
98.20626	0.5
110.97604	1.2
204.16344	0.2
301.35562	0.2
305.10638	19.2
306.10971	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	305.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74652	0.2
57.03452	0.3
59.01390	0.5
61.48476	0.2
69.62966	1.6
71.05019	0.6
77.03217	0.2
79.95741	4.1
79.96191	0.3
85.06593	0.4
89.00348	0.3
95.95245	2.8
96.96016	100.0
97.95943	0.5
98.20592	0.5
107.08682	0.5
125.02456	0.3
158.06999	0.2
160.98808	0.4
163.04022	0.3
181.15999	0.3
196.66412	0.2
225.14973	2.6
226.15208	0.3
232.97380	0.6
261.11517	1.2
262.12463	0.2
272.68817	0.2
287.09601	0.6
305.10648	43.3
306.10931	2.9
329.17001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68241	0.3
57.03453	2.2
63.02382	0.4
65.00330	4.8
66.82343	0.3
67.01868	0.4
69.62981	1.2
69.63406	0.8
70.21317	0.3
79.69819	0.3
80.02695	0.4
81.03463	11.4
83.01386	3.7
90.08531	0.3
90.64441	0.3
95.05036	1.5
98.20663	0.5
100.44341	0.3
105.83865	0.3
107.01395	5.8
107.05029	0.6
108.02177	0.7
111.00872	1.6
122.03750	2.4
123.00909	0.4
123.04507	3.0
124.01678	1.7
125.02454	7.2
135.04561	1.5
136.05296	0.5
137.02458	1.7
137.06097	1.9
138.03242	0.5
140.41472	0.3
148.05330	0.4
149.02466	0.4
149.06029	0.5
150.03207	1.0
151.00378	16.0
152.01006	0.7
163.04065	0.4
164.04765	0.4
164.59648	0.4
166.02722	1.9
167.03488	1.4
173.06041	0.7
174.03230	0.5
175.14925	0.3
177.01955	0.7
177.12915	0.7
179.03583	0.8
186.88428	0.3
187.07603	0.4
192.04286	6.7
193.04628	0.3
199.37027	0.3
201.09222	0.4
213.43893	0.3
215.14352	0.6
217.15933	2.2
219.13908	2.0
241.16118	0.4
259.17035	13.1
259.19800	0.7
260.17291	1.0
285.15045	1.9
303.16022	100.0
304.16370	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	303.1601
Annotation	1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
Peak:m/z	Relative Intensity
51.36170	0.3
57.15937	0.3
63.02393	2.4
65.00330	0.6
98.19861	0.7
107.01382	0.8
146.03764	0.5
147.00951	0.3
147.02231	0.3
149.02434	0.8
161.02438	3.0
162.03288	0.7
189.01955	0.4
190.02725	38.5
191.03093	1.8
193.15962	1.2
195.13913	0.8
203.00038	0.3
203.03519	2.4
216.95613	0.3
217.04973	0.3
229.18382	0.3
230.99312	1.3
243.46617	0.3
259.17151	0.4
298.54474	0.3
302.97754	1.1
303.00790	2.0
303.16013	100.0
304.16357	8.7
315.57898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26056	0.2
58.00346	0.2
59.01385	4.4
60.01715	0.3
61.07622	0.2
61.98834	100.0
69.95964	0.3
69.96252	1.0
81.79392	0.2
82.73056	0.2
96.21805	0.3
98.20615	0.3
114.33354	0.2
159.01588	0.5
159.97304	0.2
160.01622	1.4
161.01222	1.6
161.98961	19.9
162.96643	0.2
162.99092	1.5
202.02716	0.3
203.02200	0.3
203.99980	3.9
205.00066	0.3
261.98993	0.4
285.33350	0.2
285.80823	0.2
304.00052	12.3
304.02750	1.0
305.00070	1.7
308.20306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31187	0.3
54.72420	0.4
58.02977	42.0
70.46692	1.1
123.24638	0.4
162.71713	0.4
168.13942	100.0
169.14314	6.0
212.12891	4.1
253.79118	0.4
304.19223	0.7
305.13895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.60723	0.6
57.03458	8.4
59.01391	0.8
64.50562	0.7
67.01882	1.0
68.99551	1.3
69.03472	2.8
69.70674	2.3
69.71087	1.8
70.84609	0.7
81.03481	4.3
83.01411	2.3
87.00912	0.7
93.03477	2.7
95.01395	3.3
95.05035	3.4
96.96028	2.5
97.02971	4.1
99.04510	1.0
109.02960	18.3
109.68008	0.6
111.04528	3.9
112.98548	4.4
120.99691	0.9
121.02956	3.3
123.00900	7.5
123.04520	2.0
124.01695	4.8
125.02460	100.0
126.02802	3.7
129.51436	0.8
131.05086	0.8
135.04532	2.8
137.02455	29.2
138.03221	1.1
139.04031	22.5
140.04431	0.8
147.04494	0.7
149.02425	1.1
149.06064	1.8
151.04031	2.6
159.04512	1.8
161.02458	2.4
163.07768	0.7
163.77327	0.7
164.01160	6.2
165.01947	19.1
165.05495	0.7
166.02576	0.9
167.03506	23.1
168.03752	1.3
173.06050	1.3
173.08272	1.1
175.03976	3.2
176.04738	0.9
177.01924	2.2
177.05620	4.3
178.02718	1.7
179.03505	22.3
181.05092	1.0
184.41649	0.8
191.07124	2.1
201.05588	2.0
203.03485	3.7
204.04279	3.9
215.07301	0.9
217.05133	0.7
218.05078	0.8
219.06633	18.0
220.06952	1.1
221.04575	8.9
233.08257	0.9
237.07732	1.4
243.06602	1.9
247.02548	1.2
247.34279	0.7
254.56592	0.8
261.04181	0.8
261.07693	5.7
262.89005	0.7
271.16037	0.7
280.99234	0.8
287.05563	1.2
291.22699	0.7
305.06659	66.9
306.07013	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.093
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
57.84166	0.3
59.01387	1.1
63.02408	1.0
70.59827	1.0
71.01391	4.4
72.99319	0.3
73.02950	1.1
74.99069	0.3
85.02955	1.6
87.00856	0.3
89.02472	0.3
92.17096	0.3
92.23003	0.3
95.01394	0.5
96.02171	0.5
97.02956	0.7
99.00907	0.4
101.02451	2.1
110.00113	0.3
113.02466	1.6
117.03475	0.8
119.05015	0.5
123.00889	0.9
124.01669	53.3
125.02409	1.9
127.19802	0.3
128.30745	0.3
129.03496	0.4
137.02391	0.5
138.03200	0.4
138.28113	0.3
139.04018	100.0
140.04367	3.0
145.02974	2.3
148.01706	0.3
149.02457	0.4
149.99640	0.6
157.02902	0.9
161.04596	1.4
163.03925	0.6
165.99063	0.8
168.00674	2.3
169.01408	0.9
173.02464	0.9
180.00783	0.3
185.02452	1.9
189.01842	0.4
190.98404	0.3
201.01962	1.4
217.01332	0.6
221.04657	0.4
225.96660	0.3
228.00642	0.4
229.01399	2.1
244.00117	0.3
245.00865	1.1
254.99547	0.4
257.00931	0.9
283.04663	0.3
283.99725	2.0
286.04919	1.6
299.99088	2.3
300.99893	37.0
301.05743	2.7
302.00186	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
56.18880	0.3
59.96714	0.3
60.97514	0.9
69.72067	1.3
69.72478	0.8
118.96266	0.9
134.99406	5.9
136.97336	2.2
141.07472	0.3
143.05339	1.2
153.51730	0.3
159.08466	1.5
161.06390	5.6
166.02695	0.5
179.03514	0.6
180.58578	0.3
201.04060	0.8
203.05705	2.8
205.03572	1.2
208.34254	0.3
210.72440	0.3
215.05669	1.1
217.07217	84.6
218.07336	6.5
229.01384	0.4
261.06210	0.8
283.12042	0.5
283.99429	0.5
285.13489	36.3
286.13678	3.8
300.99915	8.7
301.16626	100.0
302.00250	0.6
302.16818	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	301.0566
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
59.08569	0.5
64.92894	0.5
69.03469	2.0
69.75741	2.7
79.01863	0.5
79.58297	0.5
81.03469	0.7
83.01406	1.3
97.02959	2.3
107.01395	1.7
123.00917	3.5
124.01678	18.4
125.02462	50.8
126.02795	2.1
137.02460	0.6
139.04019	2.2
147.00772	0.5
149.99596	25.6
151.00414	3.9
168.00656	70.9
169.01392	8.6
257.00970	0.6
283.04584	6.3
300.99927	7.3
301.05661	100.0
302.00684	0.6
302.06009	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	301.0934
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01379	1.2
64.20029	0.2
69.03484	0.3
69.66352	1.5
71.01389	5.3
73.02965	1.4
83.01408	0.8
85.02953	1.8
87.00830	0.3
89.02444	0.6
93.03483	0.5
95.01399	5.8
97.02991	0.5
99.00890	0.8
101.02457	3.3
107.01334	0.3
107.82167	0.3
108.02164	0.8
109.02965	0.6
111.00888	0.4
113.02474	3.6
115.00338	0.3
121.02985	2.5
122.03761	0.6
123.00900	100.0
124.01762	7.1
125.02460	6.4
126.02814	0.4
133.02980	0.6
135.04530	0.3
136.01717	0.4
137.02460	2.6
138.03242	64.5
139.00380	1.3
139.04048	16.1
140.04419	0.7
145.03011	0.6
148.01656	0.3
149.02451	2.2
149.99622	0.8
150.03226	0.7
151.00406	0.8
151.04057	2.1
157.02957	0.4
159.02997	0.8
161.02473	0.6
161.04593	3.9
163.03995	0.7
163.86121	0.3
166.02730	1.7
168.00670	2.8
169.01442	6.7
169.02808	0.5
173.02437	0.5
178.02736	1.0
179.03444	0.5
181.05081	5.1
182.05446	0.3
183.33992	0.3
185.02461	0.7
193.05112	2.3
199.07362	0.3
201.01973	0.7
205.88748	0.3
213.02371	0.3
229.01375	1.2
245.00974	0.6
257.00961	0.6
283.99692	1.2
286.04675	0.4
299.99258	1.3
300.99951	20.7
301.05719	5.9
301.09399	2.4
302.00299	1.4
302.06076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83240	0.5
56.03849	0.5
58.99603	1.6
66.62171	0.6
69.37392	4.4
69.37717	0.9
75.00876	8.8
79.95738	1.1
83.93887	0.5
87.00889	1.2
87.02748	1.9
89.76285	0.4
93.17490	0.5
96.96016	43.1
101.19216	0.5
117.03480	3.4
119.05007	0.7
120.99656	5.1
123.00857	0.6
131.05347	1.9
133.06938	100.0
134.07268	2.4
145.02957	44.6
146.03297	1.8
157.02916	0.9
163.03993	1.0
173.02451	1.3
179.03831	1.3
185.02441	1.6
201.01848	1.6
221.04730	8.9
221.08527	55.8
222.04956	0.7
222.08937	3.0
229.01395	1.8
239.04250	1.7
245.00824	0.5
257.00916	1.1
283.99609	2.1
299.99149	2.4
300.99976	45.5
301.04218	56.0
302.00659	2.6
302.04272	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	301.0567
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
59.01367	0.9
62.19198	0.6
65.38781	0.6
69.03463	2.6
71.01387	0.6
71.21820	1.0
75.28193	0.7
79.01923	0.6
81.03465	1.1
83.01395	1.9
87.00884	0.9
88.04055	0.6
95.01414	1.6
95.12022	0.5
96.96017	1.0
97.02953	1.7
101.02410	0.6
104.82991	0.5
107.01400	2.2
109.02946	0.7
123.00891	9.8
124.01672	15.0
125.02457	53.1
126.02820	1.6
130.66417	0.5
137.02362	0.6
138.03230	3.7
139.04031	1.2
145.03018	1.3
149.00882	1.1
149.99594	28.0
151.00401	3.9
157.03008	0.7
161.04549	1.4
167.03458	0.9
168.00652	72.6
169.01428	8.9
173.02461	1.7
185.02412	1.8
196.97682	1.0
201.01836	1.8
229.01405	2.3
245.00960	0.9
257.00876	0.6
283.04514	6.4
283.99713	1.7
299.99118	1.8
301.00110	37.4
301.05624	100.0
302.00381	3.5
302.05948	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	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
56.25158	0.3
63.02399	3.5
63.41726	0.3
65.00327	6.0
69.40272	2.2
69.50990	0.3
76.71349	0.2
79.13639	0.3
81.72038	0.3
83.01382	3.4
90.87464	0.3
93.03469	2.1
95.01392	0.3
105.21478	0.3
107.01392	9.9
108.01722	0.3
109.02963	1.1
117.03471	0.8
121.02961	9.5
124.01729	0.3
129.03473	0.8
133.02966	0.5
137.05536	0.3
139.04047	0.9
145.02945	2.4
147.04553	0.7
149.02440	1.3
151.00375	31.1
152.00771	1.0
157.02939	1.5
159.04446	0.4
161.02458	1.1
163.00420	0.7
163.04004	1.7
164.01143	1.0
169.01439	0.9
173.02429	3.1
178.99866	11.2
180.00272	0.4
184.01764	0.4
185.02463	4.4
187.04033	0.5
189.01874	1.0
191.03484	0.4
193.01373	0.5
199.00372	0.4
200.01167	0.8
201.01979	4.0
201.05455	0.3
211.03986	0.6
213.01982	0.5
216.00534	0.6
217.01471	1.3
226.99800	1.1
227.03560	0.6
228.00493	0.8
229.01418	6.0
229.04945	0.7
230.01863	0.3
244.00075	0.4
245.00847	2.4
245.04672	1.0
254.99327	0.5
255.02934	0.9
257.00946	2.5
257.03387	0.4
257.04462	0.3
273.00357	0.8
273.04013	2.0
282.98920	0.4
283.99615	5.7
285.00079	0.5
299.99133	5.1
300.99899	100.0
301.03522	46.2
302.00232	6.9
302.03839	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99600	1.7
68.26025	0.6
69.28236	5.6
75.00885	1.5
75.83784	0.5
79.21124	0.5
79.95761	1.0
87.02703	1.1
96.96017	46.1
98.19888	0.9
112.92590	0.6
117.03419	1.0
120.99690	4.7
126.50703	0.6
131.05371	1.1
133.06947	100.0
134.07343	2.7
145.02988	7.0
158.18495	0.6
161.04797	1.0
173.02435	1.1
179.03841	1.5
185.02470	1.7
185.04271	0.6
201.01883	1.3
206.00372	0.6
221.04675	1.8
221.08540	55.6
222.08865	2.4
229.01411	2.7
239.04214	1.8
245.00861	1.6
257.00839	0.6
283.11011	0.7
283.99652	2.1
299.99112	2.0
300.99936	36.6
301.04260	55.8
302.00284	2.5
302.04526	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	301.027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43124	0.4
59.01383	16.9
61.98793	0.5
70.04858	1.9
91.84169	0.4
96.95999	0.7
110.19929	0.4
115.02505	2.1
117.00394	1.5
134.96094	0.9
136.94003	4.9
136.95653	0.7
137.94031	1.3
138.93719	3.2
151.92720	0.8
153.92442	0.6
157.03552	0.6
159.01506	16.9
160.01576	1.6
178.95059	5.0
179.95113	1.5
180.94780	3.1
196.92818	2.5
197.90736	0.8
198.40681	0.5
201.02548	4.2
241.86867	0.5
249.37100	1.2
249.86923	1.3
256.89539	1.2
257.87714	0.9
258.87405	26.4
259.88138	13.3
260.88220	0.6
272.85675	1.0
273.86130	11.5
274.86093	1.1
274.90796	4.8
275.88672	1.2
276.88483	100.0
277.88538	10.2
278.88852	0.4
289.87338	0.7
290.87454	1.2
291.87201	46.8
292.87262	3.9
300.38821	0.6
300.88480	16.1
301.02676	8.5
301.88565	1.7
302.02847	1.1
318.89560	64.3
319.89648	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40756	1.5
69.41181	0.8
83.35415	0.2
98.19783	0.4
117.03455	1.0
121.00474	0.3
129.03459	1.2
133.02959	0.7
135.04561	2.1
145.02975	3.7
147.04546	0.5
157.03001	1.8
161.02499	0.4
163.03987	0.8
165.01994	0.5
172.01540	0.5
173.02451	3.9
184.01607	0.4
185.02437	4.5
188.69456	0.3
189.01906	1.3
199.00345	0.7
200.01091	0.5
201.01956	4.6
202.02316	0.3
212.01073	0.3
213.02052	0.4
216.00676	0.4
217.01393	1.4
226.99820	1.4
227.98503	0.3
228.00647	0.9
229.01414	6.8
244.00209	0.7
245.00931	2.7
254.99359	0.4
255.99986	0.4
257.00909	2.3
273.00281	0.3
283.99612	5.9
284.99951	0.4
299.99121	5.9
300.99899	100.0
302.00244	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	301.0027
Annotation	ETHACRYNIC ACID
Peak:m/z	Relative Intensity
50.03106	0.4
58.09221	0.4
58.99604	1.0
59.01384	0.6
69.25898	1.3
69.26318	2.4
74.17546	0.4
75.00874	19.7
76.17609	0.4
79.95747	1.3
87.00871	0.5
87.02747	1.0
91.34042	0.4
96.96012	25.6
98.19898	0.7
117.03468	9.6
119.05011	2.1
120.99646	3.6
123.00901	1.7
129.03494	1.0
131.05356	1.2
133.06932	59.0
134.07240	1.7
138.03210	0.4
139.04086	0.5
145.02954	100.0
146.03300	3.5
147.04533	0.8
154.96573	0.7
157.02946	1.1
161.02434	0.5
163.04050	1.9
173.02441	3.2
179.03822	1.3
185.02444	3.7
189.02057	0.7
199.00349	0.5
200.01170	0.8
201.01927	3.5
213.02130	0.5
217.01402	1.1
221.04584	21.3
221.08516	30.9
222.04880	1.1
222.08855	1.3
226.99911	1.2
227.53230	0.4
228.00690	0.7
229.01393	6.0
239.04185	0.9
242.99640	0.9
245.00854	3.0
254.99185	0.4
257.00803	2.1
283.99564	4.3
286.04767	0.6
299.99097	3.9
300.99954	100.0
301.04160	29.9
302.00287	7.0
302.04401	1.5
314.67014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63516	0.6
69.63952	0.6
75.00883	0.9
77.27683	0.2
88.82803	0.2
101.03934	0.3
117.03466	1.3
119.05032	0.5
129.03442	0.5
133.02989	0.5
145.02959	6.4
146.03249	0.2
147.04535	0.5
157.02931	1.4
161.02448	0.6
163.04018	0.9
171.00899	0.4
172.01651	0.3
173.02440	3.3
174.02782	0.2
175.04115	0.2
184.01659	0.4
185.02434	4.4
187.19656	0.2
189.01871	1.0
191.03314	0.2
199.00345	0.4
200.01181	0.8
201.01923	4.1
202.02171	0.2
213.01961	0.4
216.00633	0.3
217.01410	1.1
221.04610	1.0
226.99846	1.2
228.00603	0.8
229.01393	5.8
240.00627	0.2
242.99425	0.2
244.00133	0.6
245.00894	3.1
249.95950	0.2
254.99313	0.6
255.99849	0.3
257.00919	2.7
271.99591	0.2
273.00415	0.6
283.99622	5.6
285.00089	0.4
299.95856	0.3
299.99115	5.2
300.99881	100.0
302.00226	7.0
302.03659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.999
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
55.61807	0.2
62.63368	0.2
65.26742	0.2
65.36111	0.3
68.01960	0.2
69.61122	1.6
71.42603	0.3
89.04048	0.2
96.82945	0.2
99.75693	0.3
101.03986	0.3
117.03460	0.9
129.03479	1.3
129.92677	0.2
133.02963	0.7
143.01363	0.3
145.02975	4.0
147.04623	0.5
157.02983	1.3
161.02397	0.6
163.03986	1.0
163.98631	0.2
171.00923	0.4
172.01630	0.3
173.02451	3.5
184.01572	0.3
185.02448	4.0
189.01942	0.8
196.19702	0.3
199.00323	0.9
200.01175	1.2
201.01950	3.3
216.00635	0.5
217.01431	0.9
226.99875	1.1
228.00597	0.9
229.01437	4.8
240.00742	0.5
244.00165	0.5
245.00912	3.2
251.28059	0.3
254.99405	0.4
257.00931	2.1
273.00464	0.3
283.99628	5.7
284.99899	0.3
299.99109	5.3
300.99896	100.0
302.00262	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	300.9991
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
58.73843	0.2
63.80651	0.2
68.84418	0.2
69.76221	1.3
74.33292	0.2
98.20580	0.5
117.03458	0.8
121.02972	0.3
129.03461	1.0
129.76706	0.3
133.02963	0.5
136.50162	0.2
145.02953	2.6
147.04507	0.5
157.02913	1.4
161.02498	0.4
163.04019	0.8
173.02461	3.0
184.01744	0.3
185.02458	4.1
185.99857	0.3
189.01898	0.7
194.50526	0.3
199.00377	0.6
200.01163	0.7
201.01924	3.8
202.02208	0.3
213.01941	0.5
216.00742	0.3
217.01422	0.9
226.99881	1.1
228.00563	0.6
229.01414	5.5
230.01837	0.3
244.00087	0.4
245.00879	2.3
254.99443	0.6
257.00931	2.1
258.01157	0.2
272.02771	0.3
273.00400	0.4
283.99649	5.2
285.00015	0.5
299.99103	4.5
300.99902	100.0
302.00229	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00333	0.4
52.19714	0.3
59.01381	3.1
68.01425	3.0
69.56361	1.1
69.56790	1.0
70.14857	0.3
71.01385	0.9
72.99309	0.6
75.00884	1.2
87.02591	0.3
89.02460	0.9
94.02997	0.3
96.96030	0.7
101.02477	0.7
105.55728	0.3
109.01836	0.3
110.00105	0.4
110.06120	0.4
117.03450	0.5
122.02492	0.8
123.03277	5.6
124.07690	1.1
132.02176	0.5
136.07719	0.4
137.04831	0.8
138.05617	100.0
139.04091	0.5
139.05226	0.3
139.05975	3.0
145.02975	5.0
150.05646	0.4
152.07164	1.8
158.06187	0.4
161.02441	0.4
166.08771	0.6
167.05869	3.0
168.06642	0.6
172.01616	0.6
173.02443	1.3
180.06667	5.7
185.02444	1.3
188.01131	0.4
189.02034	0.4
200.01201	0.5
201.01947	1.3
210.07657	0.4
216.00598	0.9
220.06136	0.7
221.04582	1.1
228.00742	0.4
229.01428	1.6
242.99420	0.4
244.00002	0.6
245.00845	0.8
256.55627	0.3
257.00967	0.8
271.41516	0.3
271.99371	0.4
282.98749	0.3
283.99689	1.5
285.03632	1.2
299.99121	9.6
300.02420	0.5
300.10889	15.1
300.99893	33.7
301.11279	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	300.9986
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
51.04326	0.1
58.58416	0.1
70.19280	0.5
70.19656	0.2
75.00877	0.5
89.03995	0.1
91.25953	0.1
100.79446	0.1
101.03970	0.1
115.01849	0.1
115.76845	0.1
117.03479	1.2
119.05057	0.3
127.01881	0.1
129.03485	0.9
132.76128	0.1
133.02968	0.6
135.04565	0.4
141.03456	0.3
145.02966	5.6
146.03230	0.3
147.04533	0.6
155.01389	0.2
157.02956	1.6
160.01675	0.2
161.02423	0.6
163.03995	1.1
169.01334	0.1
171.00912	0.3
173.02449	3.6
174.02907	0.1
184.01671	0.4
185.02448	4.6
186.02733	0.4
189.01932	1.1
191.03471	0.2
199.00389	0.5
200.01157	1.0
201.01944	4.1
202.02258	0.3
213.01939	0.4
216.00594	0.6
217.01466	0.9
221.04619	0.8
226.99852	1.3
228.00607	1.0
229.01404	5.9
230.01801	0.4
230.99332	0.2
240.00595	0.3
242.99454	0.2
244.00072	0.8
245.00912	2.9
246.01102	0.2
254.99295	0.5
256.00162	0.2
257.00964	2.6
258.01266	0.2
271.99582	0.2
273.00330	0.5
282.99042	0.2
283.99637	5.6
285.00061	0.5
299.99112	5.4
300.99893	100.0
302.00238	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	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93212	0.5
53.81007	0.4
55.01881	0.6
57.03467	0.9
58.00597	2.5
59.01382	45.9
60.01734	0.5
65.00325	2.5
68.01434	0.6
69.26428	0.8
69.26833	4.1
71.01385	30.9
72.99306	3.1
73.02952	0.7
74.99104	2.4
75.00855	0.7
83.01408	0.9
85.02950	5.8
85.83347	0.4
87.00882	1.8
89.02449	39.0
93.03452	6.2
94.38107	0.6
95.01385	2.2
96.96008	3.9
98.95595	1.2
99.00895	0.7
101.02452	16.7
108.02173	1.3
109.02930	0.5
113.02448	12.6
119.03522	16.9
119.05025	20.6
120.05396	0.7
122.02516	0.5
123.00907	0.8
123.03273	8.7
125.02471	0.8
127.29816	0.5
131.03511	1.4
136.01715	0.6
136.98840	3.5
137.02448	12.4
137.04875	0.7
137.06107	2.2
138.05617	100.0
143.03531	1.4
149.04597	0.9
149.99681	0.5
151.03992	0.9
152.01099	1.1
161.04573	1.4
163.07655	0.5
164.01082	0.5
165.04214	0.6
165.99028	0.5
167.05731	0.5
169.01451	0.9
172.01668	0.5
179.03625	0.5
179.05658	2.0
180.06670	1.9
186.03194	0.7
187.00337	1.2
199.04070	0.6
200.01118	0.5
200.04820	0.6
212.04774	1.4
214.99881	1.3
216.00569	0.9
219.12430	0.9
227.03592	1.1
237.04404	0.7
239.05655	0.9
242.99338	1.9
244.00069	0.8
249.39888	0.4
255.03329	0.5
258.30722	0.4
270.98911	5.8
280.18234	0.4
283.02386	0.6
284.03265	21.4
285.03647	1.5
285.88150	0.4
298.98578	3.5
299.02063	1.3
299.05377	11.2
299.11383	1.9
299.25851	0.8
299.99109	8.7
300.02429	0.8
300.05988	0.7
300.10950	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	3.7
57.03446	1.9
57.29893	0.9
57.30143	0.8
58.00600	7.3
58.44333	0.9
59.01384	100.0
65.00343	6.6
69.59287	2.3
69.59697	4.2
71.01390	67.7
72.99318	9.7
73.02953	2.4
74.99106	23.9
79.95753	2.8
80.96494	1.1
83.01408	2.6
85.02959	12.9
87.00881	7.0
89.02451	88.2
90.02767	1.5
93.03440	1.2
95.01408	4.4
96.96014	7.3
98.09119	1.0
101.02454	43.5
107.05061	3.7
108.02147	1.1
108.12624	1.0
112.15536	1.1
113.02457	29.2
114.05590	3.5
117.03521	1.3
118.98127	2.4
119.03522	37.5
119.05007	17.9
121.02970	1.1
125.02459	1.4
131.01373	1.5
131.03563	5.4
132.02188	3.2
136.98807	9.7
137.02464	2.5
137.06085	4.9
138.05614	18.6
138.07281	1.0
143.03516	4.0
144.02158	1.3
145.03035	1.5
146.06036	1.3
149.04562	2.3
158.06136	2.5
159.00829	1.0
160.01688	5.2
161.04562	2.6
163.00511	1.3
164.01093	1.2
169.01440	1.5
171.00923	2.4
172.01660	6.9
174.05627	1.3
174.68098	1.0
179.03609	1.0
179.05588	4.8
187.00336	5.8
188.01146	3.0
190.99767	1.4
191.89291	1.0
197.02498	1.0
199.00339	1.4
199.04057	1.4
200.01160	5.0
211.04062	2.3
212.04782	1.6
214.99902	6.4
216.00613	8.9
219.12263	1.3
220.06187	4.7
226.99883	2.9
227.03496	4.3
227.13985	2.9
228.00665	4.4
237.04356	6.2
242.99319	11.2
244.00128	6.6
270.98877	29.6
271.01971	1.8
271.99442	4.5
282.98889	2.7
283.02292	2.0
284.03284	61.6
285.03543	5.2
298.98474	21.8
299.01941	4.2
299.05554	30.2
299.11273	13.7
299.14752	1.6
299.25577	1.3
299.99109	99.5
300.05643	2.1
300.11096	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	299.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80536	0.5
57.03464	2.8
62.64623	0.6
63.02406	1.1
65.00335	9.9
69.67873	2.7
80.02679	0.7
81.03468	8.2
83.01398	6.0
86.71674	0.6
95.01411	3.2
95.05026	4.8
96.02167	0.6
103.27515	0.6
107.01407	9.9
107.05063	0.9
108.02197	0.8
109.33482	0.6
111.00921	2.7
119.04986	0.7
121.06570	0.6
122.03746	4.1
123.00871	2.0
123.04580	3.0
124.01671	4.1
125.02473	9.7
133.01118	0.6
135.04526	0.7
136.98805	2.5
137.02444	4.4
137.06102	5.8
138.03212	1.3
147.11765	1.0
149.02467	1.0
151.00388	31.5
152.01186	4.5
163.03975	0.7
164.04805	0.6
166.02730	10.2
167.03481	2.2
173.06143	0.7
177.01952	5.2
178.30737	0.6
179.03555	1.3
188.04837	0.7
192.04292	17.7
193.04797	0.8
197.09679	0.7
206.05850	0.8
211.11139	0.6
212.04694	0.7
213.12816	1.4
215.10764	1.1
216.04495	0.6
255.13927	6.3
256.14349	0.6
281.11813	2.3
283.02478	0.6
284.03296	14.1
285.03616	1.9
299.05823	7.1
299.12903	100.0
299.99173	1.4
300.13214	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	299.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.4
58.25606	0.4
63.02380	0.7
65.00329	10.2
69.77554	0.9
69.77960	2.3
72.88284	0.5
80.02682	0.9
81.03463	9.4
83.01391	6.3
83.05042	0.4
93.03434	0.6
95.01409	2.9
95.05043	5.1
98.20644	0.5
106.02480	0.4
106.04228	0.6
107.01396	10.3
107.05016	1.1
107.08687	0.6
108.02206	0.6
108.99346	0.5
109.02911	0.6
111.00915	2.8
119.05037	0.6
121.10294	0.7
122.03766	4.2
123.00898	2.1
123.04498	2.5
124.01673	6.1
125.02467	9.7
131.05020	0.6
133.02864	0.6
135.04576	0.7
136.98822	4.9
137.02452	3.7
137.06100	4.8
138.03238	0.8
147.04524	0.9
147.11810	1.1
148.05251	0.6
149.02446	0.9
149.06053	0.7
150.03230	0.6
151.00385	32.9
152.01201	4.4
155.39365	0.6
163.04022	0.5
164.04794	0.8
165.01935	1.2
166.02713	10.1
167.03479	2.0
173.06062	1.5
173.09763	0.4
174.03232	0.5
177.01959	5.3
179.03499	1.2
181.68405	0.4
183.04541	0.6
191.03514	0.8
192.04288	16.4
193.04868	0.8
195.13614	0.5
197.09634	1.2
200.04758	0.6
206.05861	1.3
211.04088	0.5
211.11214	0.6
212.04770	1.3
213.12842	1.1
215.10768	1.5
215.70810	0.5
228.04196	0.7
237.12939	0.6
239.10864	0.6
243.06516	0.6
253.12335	0.5
255.13942	6.5
270.98840	0.7
281.11893	2.9
283.02368	1.2
284.03278	24.8
285.03635	1.7
299.05750	11.2
299.12891	100.0
300.05688	0.7
300.13254	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	299.0928
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01883	1.1
67.26431	0.4
79.01903	26.0
80.02232	0.7
91.05546	6.9
93.03469	10.1
93.04060	0.5
97.02974	0.5
107.05037	0.8
111.04534	10.1
119.05040	71.3
120.05380	2.8
121.03004	0.5
123.04549	2.3
134.79410	0.6
135.04539	28.5
136.04860	1.0
136.98854	0.6
137.44695	0.5
145.02965	2.3
151.04021	5.1
153.05579	1.3
161.06055	0.9
164.04872	0.7
165.05544	2.2
179.03510	49.4
180.03897	1.9
187.03915	0.7
193.05069	7.7
197.04529	1.0
199.07680	0.8
205.05067	5.9
216.59731	0.4
229.08632	0.6
229.16847	0.5
257.08157	0.7
284.03265	2.2
299.09268	100.0
299.99115	0.5
300.09601	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	299.0926
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.61381	0.4
51.85940	0.4
55.01899	1.2
65.00335	0.5
66.15239	0.3
79.01895	22.6
80.02232	0.5
91.05537	6.3
93.03463	7.2
107.05073	1.0
111.04524	8.3
112.04872	0.4
117.03427	0.5
119.05032	63.0
120.05398	2.5
123.04528	2.0
135.04532	27.4
136.04843	0.9
136.98753	1.0
143.04926	0.4
145.02977	1.2
149.02487	0.4
149.06093	0.6
151.04004	5.1
153.05592	1.0
164.04752	0.9
165.05571	2.1
177.01910	0.4
179.03505	45.9
180.03807	2.0
182.49814	0.5
187.04041	0.5
193.05060	6.1
197.04659	2.0
199.04083	0.5
199.07608	0.9
205.05087	6.2
257.08286	0.5
282.12772	0.4
284.03311	6.0
299.09232	100.0
299.99225	1.1
300.09558	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	299.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01371	1.9
65.00302	1.6
69.91609	3.9
72.00905	3.1
74.02480	10.8
74.99101	2.6
79.95266	1.8
79.95741	36.3
80.96525	30.3
86.02484	21.8
88.04045	1.1
92.05066	4.1
93.03429	1.2
96.96017	14.5
99.04552	1.5
100.67750	1.0
101.02456	1.0
106.52649	0.9
118.02994	1.3
118.06606	1.4
120.04548	1.3
131.03781	14.6
132.04565	14.2
135.82854	1.0
136.98875	1.9
137.02446	2.4
144.03481	1.8
144.04559	25.0
145.04884	1.9
146.06131	2.5
152.65370	0.9
157.05463	1.9
157.07721	30.4
157.09004	1.9
158.06133	16.7
158.07619	1.2
158.07942	1.2
160.04027	3.3
161.04538	4.3
171.05638	5.6
173.07190	8.0
175.08733	3.0
201.06749	5.8
202.05098	5.0
212.00198	2.1
219.07759	78.1
220.08125	3.0
226.01704	2.0
237.03342	7.8
238.01796	1.8
241.38454	1.1
255.04533	7.2
281.02316	6.2
282.00806	4.4
284.03299	12.3
289.16415	1.0
299.03400	100.0
300.03589	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	299.0772
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
51.77885	0.4
55.01860	0.5
58.00592	1.2
58.52721	0.3
59.01385	15.0
65.00333	2.2
65.57690	0.4
71.01384	11.0
71.30260	0.5
72.99314	1.6
73.02954	0.8
74.99121	1.7
75.00881	0.4
79.95748	0.4
83.01383	0.7
85.02949	2.9
87.00861	0.7
89.02452	11.7
93.03465	59.4
94.03809	1.6
95.01382	1.0
96.96017	3.0
96.96942	0.4
98.95598	0.5
99.00929	0.4
99.04631	0.4
101.02451	5.1
108.02174	0.7
109.02959	0.5
110.00114	0.7
113.02450	4.3
119.03529	4.7
119.05031	6.4
123.03267	5.4
125.02424	0.6
131.03503	0.7
136.98889	2.7
137.02455	100.0
138.02805	3.3
138.05618	50.8
143.03453	0.4
149.06064	0.4
152.07069	0.5
159.00920	0.6
161.04550	0.8
169.01447	0.4
171.00848	0.4
179.03516	1.0
179.05696	0.4
180.06686	0.7
183.04613	0.4
184.05305	0.5
186.03241	0.6
187.00369	0.8
200.01134	0.4
200.04733	0.6
209.04549	0.4
212.04787	0.5
214.99747	0.8
216.00630	0.8
219.12325	0.8
227.03569	0.6
228.04216	0.5
239.05569	0.6
242.99417	1.3
244.00053	0.4
270.98831	2.8
283.02606	0.9
284.03284	13.6
285.03549	0.7
298.98587	2.8
299.02081	0.8
299.05209	5.7
299.08560	0.6
299.10962	0.8
299.99109	5.9
300.10907	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	298.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
70.15617	0.4
70.15949	1.9
71.01388	9.5
71.05026	10.4
79.95757	0.9
88.04048	79.4
89.04382	1.1
93.03447	0.8
96.96017	52.8
98.20595	0.5
99.04539	3.2
116.07159	1.9
120.99675	0.6
122.03746	1.4
129.05495	0.5
136.98799	0.8
137.02437	1.1
146.08244	32.6
147.08586	1.0
150.64169	0.5
171.81140	0.5
181.01770	2.0
182.97781	0.5
209.01277	1.4
218.10336	30.3
219.10715	1.1
284.03320	3.0
298.06027	100.0
299.06235	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	298.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
69.47742	3.6
71.01386	9.1
71.05022	10.0
72.00933	0.6
74.99071	0.6
79.95762	1.0
80.96519	2.0
88.04047	80.7
89.04400	0.8
94.55713	0.4
95.97070	0.4
96.96014	9.2
99.04534	2.7
116.03548	0.5
116.07186	2.0
116.84409	0.5
117.39068	0.4
122.03738	2.0
129.05588	1.0
146.08244	35.9
147.08556	0.7
208.02821	0.8
209.01254	7.6
218.10344	27.0
219.10715	1.0
220.72363	0.5
226.03862	1.8
280.05045	0.6
284.03226	0.9
298.06039	100.0
299.06192	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01372	0.8
62.68702	0.2
64.65461	0.3
69.84525	1.4
71.01390	0.4
123.08095	0.2
125.09779	0.5
127.11319	2.4
142.39624	0.2
148.24222	0.2
153.12822	0.7
171.10277	11.5
172.10637	0.7
183.01262	2.6
261.22198	0.6
279.23291	11.9
280.23669	1.0
295.22806	0.7
297.15417	4.9
297.24356	100.0
298.15631	0.7
298.24716	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.84357	0.5
55.75919	0.4
59.01381	0.9
59.70441	0.4
61.59274	0.4
63.34820	0.4
68.78526	0.4
68.95213	0.4
69.67834	1.9
70.05151	0.4
70.18349	0.4
71.05002	0.7
72.76695	0.4
83.05048	0.4
85.06659	0.4
85.36868	0.4
129.81169	0.4
165.58981	0.4
176.28134	0.4
178.88560	0.4
183.01241	5.9
202.83119	0.4
251.23810	1.1
279.23297	1.6
295.22937	0.6
297.15366	11.7
297.24374	100.0
298.15634	0.8
298.24731	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	298.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
58.17019	0.6
59.01374	2.9
62.63493	0.6
70.27476	2.3
70.27818	0.8
71.01392	9.1
71.05022	9.0
72.00914	0.7
74.02493	2.4
74.99134	0.7
77.15453	0.6
79.63564	0.6
79.95722	4.3
80.96515	2.6
81.73402	0.6
84.69201	0.6
86.02512	0.8
88.04046	71.2
89.04391	1.6
95.95238	1.5
96.96014	43.9
97.95882	0.7
98.95589	2.3
99.04517	4.6
101.02453	1.0
106.39664	0.6
116.07168	1.7
122.03781	0.7
129.05472	0.6
132.04578	0.9
144.04527	0.8
146.08240	31.2
147.08504	1.0
157.07617	0.8
161.04543	4.8
173.07143	0.6
181.01805	0.8
185.57277	0.7
209.01221	6.0
218.10323	27.4
219.07761	2.6
219.10599	0.8
219.62415	0.7
226.03954	1.3
280.29407	0.6
297.53793	2.2
298.06018	100.0
299.03354	2.8
299.06439	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	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03444	1.8
58.00587	2.9
58.28001	0.9
59.01382	100.0
59.38007	0.8
62.67893	1.1
70.25202	3.4
71.01388	46.1
72.48194	0.9
72.99306	3.1
73.02959	8.3
73.08926	0.8
77.41301	0.9
83.01393	3.8
85.02962	14.2
87.00875	2.4
89.02449	56.3
95.01393	3.7
97.95880	0.9
99.00911	2.2
101.01774	1.7
101.02447	31.1
113.02455	20.7
115.04069	1.0
119.03501	20.5
125.02495	1.7
128.84822	1.0
131.03516	1.7
135.06641	23.5
143.03516	4.0
143.41870	0.8
149.04572	1.6
158.53246	0.9
159.02995	1.8
161.04575	16.8
163.66022	1.0
178.93187	0.9
179.05595	12.0
237.09796	8.9
272.50879	1.0
275.24649	0.9
297.11932	44.3
298.06317	1.4
298.12097	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	297.2072
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
57.03447	1.8
59.01375	2.1
71.01366	0.8
71.60645	0.6
85.02975	0.7
89.02427	0.8
101.02429	0.9
105.26466	0.5
107.99058	0.5
109.02959	0.6
122.46056	0.5
135.06593	0.8
217.80180	0.5
235.20676	23.2
236.20975	1.8
237.11568	0.6
251.20053	0.7
253.05078	0.7
253.21718	18.6
254.21992	1.6
261.18579	0.7
279.19650	16.8
280.19989	1.2
281.04691	0.8
282.05322	10.0
283.05704	1.3
297.07724	9.7
297.20731	100.0
297.24121	5.4
298.08408	0.6
298.21045	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.15110	0.3
55.48092	0.4
59.01382	0.7
60.54129	0.4
69.71899	1.8
89.92026	0.3
91.15961	0.3
98.53868	0.3
113.09749	0.8
116.58775	0.3
141.09241	2.6
142.87967	0.3
165.12828	0.5
173.11835	1.4
183.01190	1.8
183.13902	48.9
184.14214	2.5
219.87471	0.4
279.23315	6.9
280.23538	0.7
297.15543	3.9
297.24350	100.0
298.21265	0.6
298.24692	9.8
298.27841	0.4
302.48294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97627	0.2
51.04145	0.2
59.01392	0.2
65.00338	0.2
71.23975	0.2
77.03973	0.4
79.01888	0.8
95.01409	0.2
97.02968	0.4
98.20677	0.3
105.52224	0.2
107.01401	0.2
108.02213	0.6
110.96894	0.2
113.73421	0.2
117.03464	4.6
117.04253	0.4
119.01353	0.2
119.04990	0.2
121.02969	2.0
134.03780	0.4
135.00905	1.8
136.01685	0.4
145.03014	0.2
148.01590	0.3
148.25786	0.2
158.03716	0.4
161.02460	2.2
162.03241	1.2
163.00360	1.9
164.01155	0.7
165.01933	2.2
178.01314	0.2
182.07335	0.2
185.02470	0.6
185.06075	0.9
186.03242	1.5
186.06760	0.2
198.06845	0.3
209.06158	0.6
210.06795	0.4
211.04039	0.7
213.02057	0.4
213.05536	1.0
223.04095	0.6
225.05627	1.4
226.06245	1.2
237.05627	0.7
238.06352	0.6
239.03413	1.3
253.05083	6.0
254.05862	2.3
265.05133	0.3
281.01355	0.4
281.04568	17.9
282.05334	100.0
283.05676	7.0
294.50653	0.2
297.07678	93.5
297.24405	0.7
298.08032	6.9
314.04605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01878	2.0
57.03451	2.3
58.00586	3.2
59.01382	100.0
60.01716	1.3
69.03445	0.8
71.01386	54.4
72.01752	0.9
72.99314	2.8
73.02951	7.6
74.99085	0.6
75.00887	1.7
81.03479	0.9
83.01411	3.7
85.02442	0.9
85.02956	16.8
85.03447	0.9
87.00880	3.1
89.02448	55.3
90.02800	0.8
95.01389	3.6
96.96019	2.6
97.02970	0.7
99.00888	2.1
99.04543	0.6
101.02448	35.6
102.02791	0.9
103.04017	1.5
105.01985	0.6
106.27363	0.5
106.89861	0.5
111.38832	0.5
113.02452	18.9
115.03996	0.6
117.05584	2.1
119.03511	24.0
120.99671	1.2
125.02450	0.8
125.30127	0.5
129.01944	0.6
131.03520	1.6
135.06644	27.0
136.07018	0.7
136.99239	0.7
139.07997	0.7
143.03505	5.3
149.04535	1.9
159.02995	2.1
159.43300	0.6
161.04556	15.3
162.04913	0.7
164.10181	0.5
179.05621	13.5
180.05919	0.7
237.09753	5.4
258.05923	0.5
297.08408	1.5
297.11893	43.4
298.06070	1.6
298.12241	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	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.22119	0.3
57.03442	1.1
59.01375	1.9
63.38046	0.3
66.92325	0.3
69.70685	1.7
69.71058	0.5
83.05027	0.4
90.17374	0.3
91.01873	0.4
97.06613	0.4
98.20608	0.6
99.04525	0.4
104.44312	0.3
113.09750	2.5
125.09719	0.3
135.00880	0.6
168.71970	0.3
171.10243	0.5
177.12772	0.6
179.14424	1.0
181.12460	0.4
186.47226	0.3
195.13907	18.4
196.14291	0.9
212.19731	0.4
233.82735	0.3
277.19385	0.3
277.21719	18.6
278.22150	2.0
295.22784	100.0
296.23129	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01375	3.4
70.05961	4.0
70.06295	1.3
91.01880	2.1
98.20004	0.9
105.82560	0.8
113.09726	1.6
133.01436	2.6
135.00890	2.5
168.73880	0.9
179.03354	1.0
179.14465	1.1
181.12276	1.0
183.13907	3.0
184.94351	0.9
195.13908	23.2
196.14235	1.4
218.33623	1.0
253.14491	1.0
277.21729	20.9
278.21988	1.7
295.22787	100.0
296.23148	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	296.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16620	0.1
70.52016	0.5
70.52370	0.1
75.74163	0.1
77.03963	0.8
79.01900	2.7
91.05527	0.6
93.03460	0.7
95.01408	0.4
105.97413	0.2
107.05039	0.4
108.02197	0.9
109.02997	0.2
110.54911	0.1
111.04527	0.7
115.02527	0.2
116.02688	0.4
117.03474	8.2
118.03822	0.3
118.36407	0.1
119.05037	1.6
121.02977	0.6
121.21820	0.1
131.05016	0.5
132.02171	0.2
133.02937	0.3
134.03758	1.2
135.04526	2.4
136.01671	1.0
141.03500	0.3
141.30876	0.2
145.02972	0.3
147.04543	0.6
148.05276	0.1
149.02451	3.7
150.03198	0.7
151.04022	0.7
158.03825	0.3
159.04550	0.4
161.02490	0.3
162.03210	0.5
164.01045	0.2
165.05545	0.2
169.06569	0.2
175.04015	7.1
176.04469	0.6
177.00462	0.3
177.01945	4.7
178.02765	0.9
179.03487	1.5
181.06538	0.2
185.02472	0.8
185.06154	0.3
186.03175	0.6
193.06627	0.3
195.08127	0.3
197.06091	0.3
199.07678	0.4
203.03513	0.4
207.08200	0.2
208.05431	0.2
209.06102	0.6
211.04012	0.3
211.07623	0.3
212.04747	0.2
212.08371	0.2
213.05486	0.2
223.07719	1.1
224.08362	0.4
225.05591	1.5
226.06163	0.3
227.07132	1.1
237.05544	0.5
238.06071	0.2
239.07130	3.1
240.07620	0.9
241.05002	0.2
251.07118	0.9
252.07837	0.4
253.05113	1.9
266.05728	0.2
267.06619	7.8
268.07300	2.3
269.07645	0.2
279.06631	0.5
280.03809	0.5
281.04495	0.5
282.05374	0.2
295.06125	20.6
296.06888	100.0
297.07242	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	295.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55845	0.3
55.01887	0.9
55.22141	0.3
57.03448	3.7
57.46990	0.3
59.01376	2.5
61.98807	0.4
63.02388	0.5
65.00318	0.6
69.55467	2.5
71.01399	0.7
71.05019	0.4
73.02967	0.6
76.87185	0.3
79.01903	4.1
79.95785	0.3
81.03460	0.5
83.05011	1.0
85.06590	5.0
91.01881	1.4
91.05515	0.9
93.03442	0.5
95.01389	0.4
95.05042	0.6
96.95993	1.0
97.02964	2.3
97.06588	1.8
98.20698	0.6
107.05051	0.6
109.06590	7.8
111.04528	8.0
111.08162	0.9
114.66616	0.3
115.00361	0.8
119.01382	0.5
123.00945	0.4
123.04527	0.5
133.01425	1.4
135.00867	1.7
135.04529	3.6
136.05280	1.1
137.09743	0.4
138.03210	1.4
149.06100	0.8
151.04018	0.8
153.05586	32.6
154.05904	0.9
157.12361	0.4
163.00397	0.7
179.03503	2.4
179.10893	0.3
183.10251	0.7
193.12292	1.4
195.13892	1.8
206.99367	0.8
209.15485	0.8
233.15485	1.4
235.13422	0.4
236.14154	0.5
249.14973	1.2
251.16516	4.4
252.16718	0.4
253.14381	0.8
261.78360	0.4
277.14578	1.8
277.17395	0.3
293.13849	0.4
295.15509	100.0
296.15851	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1553
Annotation	alhpa-tocopheronic acid
Peak:m/z	Relative Intensity
57.03442	1.9
59.01377	4.1
61.65316	0.5
69.92777	2.0
69.93187	0.7
71.01415	0.6
71.05021	5.3
81.03429	0.6
83.01408	0.9
83.05035	1.7
85.02958	3.3
94.50636	0.5
97.02965	0.5
97.06594	1.1
99.04527	3.2
103.17886	0.5
107.05016	1.8
109.02962	6.7
111.04507	1.5
113.02481	0.8
123.04562	2.5
125.06082	2.2
127.04025	8.6
133.01443	0.6
135.00920	2.3
137.02422	0.9
141.12912	3.2
143.10785	2.0
149.02444	1.6
151.04018	5.4
151.11267	2.0
152.04767	1.9
153.05545	2.2
163.00418	0.7
164.04790	1.2
167.03511	1.4
167.10791	5.9
167.14371	0.4
177.01927	2.0
178.02756	0.8
179.03586	0.8
179.10814	0.6
179.14450	0.6
182.02211	0.8
183.13904	9.1
191.14417	1.0
195.13942	0.9
196.03859	0.7
207.13858	1.3
207.17439	0.8
209.15407	1.0
210.16214	0.5
223.16986	1.2
231.13736	0.7
233.15497	3.6
234.12500	0.7
235.13385	9.4
236.14169	2.4
237.11285	0.9
239.12886	9.4
240.13293	0.7
249.14949	11.3
250.15428	0.6
251.12885	1.0
251.16539	2.3
253.14459	4.0
259.13361	1.1
261.11420	0.9
277.14459	37.0
277.21652	2.0
278.14838	2.7
280.13235	3.9
295.15527	100.0
295.22687	18.0
296.15866	7.3
296.22946	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03471	0.4
59.01382	1.6
69.30139	0.5
69.30542	2.4
71.05016	0.8
76.98585	0.3
79.50970	0.3
82.82570	0.3
85.06591	0.4
102.33772	0.3
102.64703	0.3
121.69579	0.3
133.01443	0.4
139.16228	0.3
141.33604	0.3
189.00085	0.4
205.16100	0.4
209.15439	0.4
223.17039	46.0
224.17395	4.1
237.18523	0.6
259.20724	0.4
277.21722	24.1
278.22180	2.1
293.21194	0.6
295.22781	100.0
296.19736	0.7
296.23135	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	295.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.8
64.60407	0.3
68.65508	0.3
69.36226	1.7
69.36651	0.9
70.91806	0.4
79.95730	2.2
85.02949	0.4
91.01879	0.7
92.55188	0.3
93.03392	0.3
95.95256	0.5
96.96017	86.0
98.95588	1.5
119.01421	0.4
133.01460	0.6
135.00868	1.4
151.00348	0.4
163.00334	0.6
164.63954	0.3
167.14383	0.6
169.15981	8.6
170.16269	0.4
177.58008	0.3
197.15483	0.6
206.99356	0.5
214.21359	0.3
215.16525	56.5
216.16861	3.9
253.10751	0.3
265.58832	0.4
283.66986	0.3
295.12219	100.0
296.12543	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	295.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96079	0.7
57.03448	1.0
59.01386	4.6
61.40389	0.8
61.42322	0.8
64.73071	0.7
65.00307	0.8
70.59861	2.4
71.01392	0.9
77.55370	0.7
79.95763	2.2
80.25043	0.8
91.01902	1.9
95.01365	1.2
96.96017	89.0
97.95931	1.0
98.95596	10.1
98.96477	1.8
99.41365	0.7
119.01427	1.2
134.76247	0.8
135.00873	4.0
139.04016	2.3
163.00409	1.7
169.15944	7.0
178.99959	0.8
188.78595	0.8
197.15552	1.1
206.99361	1.3
215.16528	49.7
216.16824	3.9
251.16605	1.0
295.02536	2.7
295.12241	100.0
296.12558	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19807	0.5
58.99567	0.8
59.01383	100.0
59.98652	0.4
60.01708	1.3
66.74418	0.5
69.03481	0.6
71.01379	3.8
71.59937	0.6
73.01167	0.5
73.02962	0.6
75.00858	0.5
79.95753	2.1
83.01411	0.7
85.02962	1.3
87.00867	0.9
89.02441	1.3
91.01936	0.6
95.05022	0.6
96.96017	64.9
97.02979	0.6
101.02455	2.5
104.03535	0.7
111.00897	0.6
113.02459	0.8
113.06142	0.6
119.05116	0.6
121.03009	1.2
123.00856	0.6
125.02474	2.1
129.84064	0.6
133.01439	0.9
133.05070	0.6
135.04564	2.3
135.08145	0.8
137.02548	0.7
139.00375	0.9
147.04568	0.9
151.00354	0.6
153.09207	0.9
159.08505	1.4
161.04604	1.1
163.04036	2.3
169.01457	2.5
171.10306	2.6
177.01939	0.6
179.03560	1.5
189.09615	1.0
191.03522	1.5
207.03047	1.8
207.10655	1.5
215.09293	3.3
219.02991	1.5
235.11807	3.6
243.02063	0.8
251.01982	0.7
251.05731	2.8
253.14438	1.0
263.24841	0.5
295.01291	2.2
295.04959	20.3
295.08572	7.1
295.12296	2.1
295.15683	0.8
296.05283	1.0
296.08325	0.6
310.45789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01382	25.8
59.73440	1.7
60.97526	3.1
70.80031	4.7
71.01390	14.4
72.97535	4.5
72.99313	5.3
74.99106	3.5
79.95744	7.1
80.96504	2.3
83.01398	2.0
83.05026	3.2
85.02953	5.9
85.58026	1.8
86.02415	1.8
87.00883	30.2
89.02448	8.1
90.98598	100.0
92.05086	1.8
96.96014	64.0
101.02454	5.4
101.77000	1.8
104.06168	2.0
113.02449	5.0
115.00365	3.8
115.04021	2.6
117.00122	2.3
119.03467	3.2
119.04983	2.1
120.99651	14.3
121.02939	3.5
123.00910	3.2
133.01440	11.9
133.03033	1.9
133.05080	2.2
135.01205	7.8
135.04500	5.4
136.99127	5.2
142.78423	1.9
145.02980	2.5
145.05836	3.6
145.06934	64.2
147.04543	4.6
149.02428	7.1
150.03117	2.1
157.91353	1.9
160.99086	2.1
161.02419	7.7
161.06248	2.4
163.04025	19.8
163.06665	3.1
163.07994	58.5
164.04790	10.1
171.09279	7.1
173.02435	3.4
173.08211	1.7
175.04010	4.9
176.04729	7.1
177.01915	3.5
177.05606	2.9
178.06320	5.6
178.24153	1.9
179.00204	40.9
179.03467	5.1
179.07147	17.0
189.05884	23.7
190.02673	4.1
191.03520	15.3
191.07137	2.3
192.04395	2.4
193.05128	4.1
203.03485	6.1
205.05101	5.8
206.05734	4.0
207.02928	9.8
207.06918	34.0
208.07466	2.6
215.09254	4.0
219.02997	8.1
221.04405	2.8
221.08234	2.4
233.04718	2.3
233.08562	23.5
235.06190	3.2
247.02463	4.5
247.06009	2.2
249.07605	3.5
251.05377	3.1
251.09579	13.1
253.14421	3.5
262.04831	7.3
265.07169	13.1
277.07324	21.9
295.04770	35.7
295.08551	52.5
295.15500	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01724	1.1
64.52843	0.7
69.30103	0.7
70.04678	3.2
71.01395	3.2
73.02950	0.8
75.74657	0.8
79.14245	0.7
79.95766	2.5
83.05016	0.9
85.02994	1.4
86.02486	1.0
87.00832	0.7
89.02489	0.9
96.96015	34.5
101.02461	2.5
113.02456	1.2
120.99683	0.8
122.23842	0.7
125.02420	1.0
133.01465	1.0
142.06633	0.8
153.09242	2.9
161.04575	0.9
163.04005	1.8
169.01459	0.9
171.09166	4.3
177.02069	1.3
179.07103	0.9
191.03474	0.9
192.04445	0.9
197.08321	0.8
207.06815	0.7
215.09375	6.3
235.11899	2.7
251.05351	1.0
295.04941	29.9
295.08466	2.3
296.05402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1188
Annotation	3-Oxopseudoanisatin
Peak:m/z	Relative Intensity
56.19722	0.6
59.01093	1.3
59.01383	24.2
65.00325	2.9
69.56429	0.6
71.01360	0.9
79.01902	0.8
91.01899	1.8
93.03442	1.0
95.01382	1.7
96.02214	0.8
97.02979	2.0
101.28276	0.7
115.00407	0.9
121.02939	0.9
123.00890	1.7
124.01666	25.9
125.02417	1.1
133.01418	1.3
133.02989	0.7
135.00888	2.0
135.04539	2.2
137.02440	2.5
138.03238	9.9
139.04027	11.3
149.99602	1.0
151.00383	1.7
152.01161	38.8
153.01575	1.4
153.05582	9.5
159.08131	0.8
161.02467	3.3
163.00392	1.4
165.01942	8.6
166.02721	24.9
166.88097	0.7
177.01863	1.7
177.09225	1.2
178.99939	0.8
179.03505	15.3
180.04266	4.5
193.05057	7.5
203.07199	0.9
206.99344	1.7
207.06625	1.1
219.13795	0.9
220.07420	4.8
221.08162	3.8
235.09769	29.3
235.13394	1.1
236.10132	1.9
237.07716	2.2
249.11194	0.9
250.12041	0.7
250.98434	0.7
251.16531	0.8
253.10799	2.3
263.12836	1.6
279.12384	2.0
280.09525	6.1
280.13095	5.5
295.11871	100.0
295.15485	77.0
296.12173	6.9
296.15805	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03449	2.3
58.00605	1.7
58.99634	0.5
59.01387	50.9
60.01719	0.5
61.94073	0.2
69.03461	0.4
70.02130	1.2
71.01389	26.5
71.05016	1.2
72.01727	0.4
72.99321	2.5
73.02953	3.6
73.89268	0.2
74.35086	0.2
74.99096	0.7
75.00880	19.0
76.01247	0.3
83.01405	2.3
85.02963	13.2
87.00887	1.9
87.04523	4.3
89.02454	24.1
90.02788	0.4
95.01391	1.9
95.76858	0.2
96.95992	1.7
97.02952	1.6
98.19904	0.4
99.00886	1.6
99.04575	0.3
101.02454	20.8
102.02793	0.5
103.00360	0.3
111.00874	0.5
111.04512	0.3
113.02464	10.6
114.02838	0.3
115.00414	0.9
115.04023	12.1
117.02033	0.4
117.05617	0.8
119.03517	11.7
119.05054	0.8
120.94688	0.2
120.99674	10.3
125.02412	0.3
128.03566	0.4
129.01976	1.4
131.03464	1.2
133.05089	19.3
138.05693	0.3
143.03543	1.3
145.05086	0.5
145.06880	0.3
147.02946	0.4
149.04626	0.6
154.99899	0.5
156.92810	0.3
159.03009	0.9
161.04585	4.2
163.04045	1.2
163.07959	0.4
173.00914	1.2
175.06137	0.4
179.00229	0.4
179.05679	1.4
207.03200	0.5
207.06998	0.4
233.09235	0.3
235.08269	1.6
237.03799	0.5
237.06189	9.5
238.06549	0.5
247.54205	0.3
252.06114	0.3
295.10364	100.0
296.10712	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.6
59.01391	2.5
64.34389	0.4
70.25101	0.4
70.92741	0.8
71.01373	0.4
80.41749	0.4
85.06594	0.9
96.96033	0.5
97.06598	0.9
109.06548	0.7
113.09731	21.9
114.10040	0.8
121.10229	1.6
125.09740	0.6
139.11307	2.0
147.35162	0.5
148.98586	0.5
149.09743	1.3
167.10794	2.3
171.10251	3.6
177.12801	1.0
179.10754	2.7
185.11877	0.9
187.99867	0.4
195.13918	2.5
220.14668	1.0
221.15474	1.8
236.10574	1.4
249.22292	1.7
258.34149	0.4
275.20142	6.0
293.21234	100.0
294.21552	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	295.0394
Annotation	CHEBI:84301
Peak:m/z	Relative Intensity
52.51970	0.6
58.00596	0.6
58.24685	0.4
59.01382	4.9
64.49983	0.4
71.01391	1.3
71.30236	0.8
72.00908	2.4
72.99306	0.6
73.02947	0.5
78.58410	0.5
79.95740	22.3
80.96516	6.8
83.01343	0.6
85.02993	0.6
86.02480	16.2
89.02470	1.1
92.05058	9.8
95.01410	0.5
96.96010	17.3
101.02443	1.0
115.00357	0.9
116.05066	15.3
119.04998	0.8
123.00905	0.8
125.02452	2.9
129.05850	1.1
130.06635	1.8
133.01434	1.0
133.02956	0.7
135.00926	0.5
135.04535	1.8
138.32755	0.6
142.06621	10.3
143.06133	2.3
144.08183	4.7
145.02956	0.9
147.04549	1.2
149.02449	0.9
153.05530	0.7
154.06596	2.2
156.06888	1.6
161.02460	1.5
161.04677	0.7
163.04002	2.7
164.04805	1.3
169.01408	3.1
169.07741	2.7
171.09277	67.0
172.09621	3.7
176.04735	0.9
177.01930	0.9
178.06363	0.8
179.03412	0.8
179.07133	2.3
190.02751	0.8
191.03482	2.8
193.05032	0.9
195.05530	0.6
197.07175	0.9
198.05540	0.5
203.03441	0.6
205.01329	0.7
205.05040	0.8
207.02962	1.1
207.06865	0.9
207.10425	0.7
215.08206	18.0
216.08675	0.9
218.05750	0.5
219.02968	1.8
221.08211	0.7
222.02292	19.8
223.01959	2.5
227.89578	0.5
234.02361	0.7
244.62035	0.5
247.05997	0.6
251.04991	11.0
253.14424	0.7
262.04697	1.0
265.07111	2.2
277.02707	1.9
277.07306	2.4
295.03943	100.0
295.22745	0.6
296.04272	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47999	1.5
59.01369	2.6
65.72834	1.3
65.98230	1.2
69.82618	7.2
85.02934	2.0
116.04389	1.4
121.10239	48.6
122.10583	2.6
125.09697	1.9
140.10417	1.3
171.10277	78.1
172.10632	4.3
177.16521	1.6
184.10011	1.3
185.11795	3.8
231.21150	7.8
236.10591	1.6
275.20157	100.0
276.20441	10.5
293.21255	62.2
293.23761	1.4
294.21652	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08695	0.7
59.01369	0.9
62.79410	0.8
70.07375	1.5
70.07760	1.8
70.08114	0.7
73.67162	0.7
81.09587	0.8
98.20531	1.4
113.09789	1.1
116.91827	0.9
179.14397	1.3
195.13919	16.0
196.14447	2.0
205.12291	1.0
205.16014	0.8
211.13477	1.1
223.13391	13.6
226.34152	0.8
228.13628	1.9
231.21219	1.0
256.13278	4.5
275.20163	10.4
293.21240	100.0
294.21573	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.2
59.01381	36.8
69.54947	3.6
71.01386	18.2
72.99315	1.2
83.01399	1.8
83.61368	0.5
85.02939	4.0
85.06078	0.8
85.06593	13.0
85.32903	0.5
87.00874	1.2
89.02447	19.1
95.01376	1.1
96.96006	0.8
101.02448	11.4
102.35146	0.7
105.75755	0.5
113.02441	7.1
113.06080	3.7
115.07634	2.0
119.03492	8.2
127.07654	1.9
131.07143	60.5
132.07477	0.9
153.07440	0.5
156.68994	0.5
161.04597	0.6
173.08179	2.0
179.05592	0.8
247.02502	0.5
249.02963	3.4
258.32953	0.5
293.12424	100.0
294.12750	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	293.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
57.03186	0.4
57.03451	5.3
59.01385	1.8
61.98838	0.3
65.00330	1.4
69.03458	0.9
71.01372	0.5
71.05018	5.8
77.03970	0.8
78.04691	0.3
79.01900	3.2
81.03420	0.5
81.10599	0.3
83.01377	0.9
83.05036	0.7
93.03467	0.7
95.01382	1.0
95.05034	13.2
96.05394	0.6
96.95993	0.6
97.02956	4.0
97.06602	2.3
98.95589	0.5
109.06611	0.5
111.04571	0.4
113.06023	0.3
120.99305	0.5
121.02972	2.9
121.06587	0.7
122.03719	1.1
123.04498	0.5
123.08094	0.6
123.48251	0.4
125.02441	0.5
135.04495	0.7
135.08153	0.8
137.02495	0.6
137.06093	1.5
138.03210	0.4
139.04015	22.1
140.04306	0.6
147.08234	0.4
148.98830	0.8
151.07730	0.4
152.76624	0.4
153.09183	0.5
160.33499	0.4
161.09741	0.5
162.16197	0.5
165.01939	2.4
166.02687	1.2
175.11288	0.7
176.98305	0.8
189.12823	0.6
193.05074	0.6
195.10301	0.7
207.13959	0.9
207.35492	0.4
213.12740	0.5
221.15431	0.6
231.13814	2.6
233.11809	0.4
234.12541	0.5
249.14931	3.5
264.96222	1.0
275.12881	1.0
293.13950	100.0
294.14285	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	293.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
63.02401	0.8
65.00330	2.2
69.41043	2.5
71.01400	0.3
81.03459	0.3
83.01393	0.3
83.47986	0.3
89.00333	0.6
89.48425	0.3
91.01915	0.5
91.28806	0.3
95.01395	3.6
95.05052	0.6
96.02182	0.6
97.02962	1.6
107.01410	0.3
109.03016	0.4
111.00859	0.5
111.04500	0.4
121.02947	0.9
123.00889	2.0
124.01677	26.5
125.02541	1.9
135.04541	1.1
135.08151	0.3
136.65082	0.3
137.02452	1.6
138.03252	0.6
139.04031	28.1
140.04347	1.2
148.98833	0.3
149.06163	0.5
151.00388	3.0
151.03995	0.4
152.01172	32.4
153.01486	1.5
159.51572	0.3
161.02457	0.3
163.07655	0.6
165.01938	5.1
166.02727	6.3
167.03461	1.3
170.57437	0.3
176.98277	0.5
177.09213	0.6
179.03517	12.4
180.04211	0.6
193.05067	2.5
198.01678	0.6
207.06645	5.1
208.07063	0.4
212.03152	0.4
217.12364	0.7
221.08205	3.0
222.08803	0.4
235.09787	0.3
249.11385	0.3
259.38217	0.3
261.11353	4.8
277.10867	1.8
293.13977	100.0
294.14304	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	293.176
Annotation	[6]-Gingerol
Peak:m/z	Relative Intensity
51.57591	0.3
55.01890	0.3
57.03460	0.9
59.01395	0.9
65.00340	0.8
69.77359	1.3
71.05023	3.7
73.02943	0.3
79.01889	2.8
80.02689	0.5
81.03484	0.5
83.01407	0.5
93.03462	1.0
95.01411	0.3
95.05030	15.1
96.05388	0.5
96.96011	5.8
97.02955	2.4
98.20599	0.5
99.55634	0.3
109.02937	0.4
115.59488	0.2
121.02980	1.9
122.03773	0.7
135.04512	0.9
136.05304	0.9
137.06071	0.3
139.04019	14.7
140.04393	0.4
143.35980	0.3
153.12837	0.4
162.03334	0.3
165.01939	2.2
169.16020	0.5
171.14008	0.4
176.04765	0.4
176.98296	0.4
185.80270	0.3
189.16347	0.3
193.16010	1.9
195.13892	5.3
205.15903	0.3
207.17552	4.4
208.17877	0.3
220.14677	0.5
221.15475	1.5
234.16296	0.4
236.10538	0.9
249.18597	38.4
250.18961	3.2
275.16476	1.4
293.17599	100.0
294.17953	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52298	0.3
67.28905	0.3
69.56642	2.2
71.01385	7.7
98.19889	0.4
101.05169	0.3
109.36026	0.3
116.88368	0.3
127.07629	0.6
148.05298	1.0
149.06029	0.3
151.07632	0.5
164.08415	1.1
177.09219	5.0
178.09477	0.3
192.11572	7.3
193.12099	0.7
205.12335	8.7
206.12654	0.6
207.13882	0.8
217.08734	0.8
218.09450	2.0
220.14691	48.5
221.15459	100.0
222.15804	6.5
235.13409	1.2
236.10542	70.0
237.10901	5.3
249.14896	0.5
253.14595	0.4
274.48825	0.3
293.14011	1.7
293.17593	7.7
293.21024	0.7
294.17831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	[6]-Gingerol
Peak:m/z	Relative Intensity
52.07551	0.4
56.07320	0.4
65.00334	2.3
69.42598	3.5
71.41905	0.5
78.12083	0.4
83.01385	0.4
95.01405	3.9
96.02187	0.8
96.95993	2.7
97.02959	1.6
97.65976	0.4
109.44952	0.4
121.02893	0.5
123.00925	2.6
124.01675	25.8
125.02422	0.6
137.02486	1.2
138.03242	1.7
139.03020	0.7
139.04037	9.3
149.99582	0.8
151.00388	1.7
152.01178	40.3
153.01500	1.7
164.47298	0.4
165.01961	3.0
166.02751	11.2
179.02054	0.9
179.03529	12.7
180.04216	1.0
193.05107	1.8
205.12360	0.5
207.06653	1.2
217.16008	1.2
221.08179	2.1
235.09836	1.4
236.10561	0.8
249.11400	1.0
249.18219	0.4
261.14920	0.6
263.12704	0.6
278.15253	3.2
293.17624	100.0
294.17938	9.4
304.72714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74633	0.3
53.22330	0.2
59.01382	0.6
66.74162	0.2
69.63338	0.3
69.97536	0.3
71.05016	0.5
71.38077	0.4
77.40061	0.2
77.71967	0.3
79.95354	0.4
79.95736	1.6
95.01402	0.6
95.95248	1.0
96.96018	100.0
97.95955	0.4
98.95609	3.5
98.96251	0.4
98.96484	0.5
101.64983	0.3
121.32316	0.3
125.02383	0.3
130.85909	0.3
132.44589	0.2
139.04022	0.3
146.06792	0.3
152.54257	0.3
186.13225	0.3
207.53339	0.3
212.03981	0.4
213.14978	1.1
249.11775	0.5
269.68875	0.3
293.10690	69.2
294.10974	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	293.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01394	1.0
65.00324	0.5
71.01384	0.6
73.02972	0.3
79.95739	1.9
89.02459	0.6
95.01392	0.9
96.96021	100.0
97.02983	0.2
97.95940	0.4
98.19836	0.3
98.95600	1.9
98.96466	0.4
99.08178	2.2
101.02450	0.3
125.02515	0.8
148.98828	0.6
175.00270	0.2
176.98306	0.4
183.13887	0.4
195.13980	0.7
202.99983	0.3
213.14970	3.9
229.20392	0.2
246.98676	0.2
249.03125	0.3
249.11621	1.6
264.96204	1.1
271.02121	0.2
275.09692	0.3
293.10699	41.8
294.11035	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	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.2
59.01383	16.2
67.46231	0.7
69.03452	2.4
69.03887	0.5
71.01387	17.2
72.99313	1.2
73.02949	6.5
79.95751	1.9
81.03463	0.9
83.01371	0.8
85.02934	2.7
89.02446	20.7
90.02799	0.6
92.72231	0.7
95.01398	1.7
96.96014	100.0
97.02954	4.0
97.67684	0.5
98.95607	1.0
99.00883	6.4
99.08150	4.1
101.02446	7.7
111.00910	0.7
113.02446	1.6
113.25401	0.5
115.04022	2.2
120.73634	0.5
121.77950	0.5
125.02428	7.9
131.03532	1.2
143.03488	1.3
149.04541	1.0
191.05643	2.6
213.14923	0.9
229.29031	0.6
233.06689	2.6
249.11678	3.7
264.96234	0.8
275.09387	0.5
293.10699	44.4
294.10986	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	293.0881
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.92668	1.3
55.01883	3.6
56.45132	1.1
57.03448	2.2
58.00580	3.2
59.01383	100.0
60.01723	1.4
69.86602	5.1
69.87009	3.2
71.01389	80.1
72.99325	4.1
73.02950	49.1
83.01378	7.0
85.02959	23.8
87.00889	2.1
89.02447	45.8
95.01399	5.0
98.19819	1.5
99.00895	5.2
100.72352	1.3
101.02452	42.2
103.04017	10.8
113.02460	27.2
119.03510	14.6
120.79172	1.4
123.04493	1.3
125.06094	1.2
131.03510	55.3
132.03830	1.6
143.03528	3.0
145.03329	2.4
161.04578	11.2
163.63611	1.2
171.06699	1.9
173.04605	1.5
205.05414	5.9
250.98793	1.5
259.70773	1.4
278.55865	1.4
293.08850	84.3
294.09351	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	293.1033
Annotation	Coriarin
Peak:m/z	Relative Intensity
57.03422	0.4
59.01384	100.0
60.01718	1.0
63.02404	0.4
65.00328	2.8
75.94582	0.4
80.43436	0.4
81.03478	1.4
89.00357	0.5
89.72984	0.5
91.80775	0.4
92.99837	0.8
95.01414	1.9
95.05102	0.5
96.96001	0.6
97.02956	2.4
98.95622	0.9
99.00916	1.5
105.03494	0.9
107.01406	0.4
108.02169	0.5
109.02985	0.5
121.03017	1.4
123.08213	0.6
124.01654	4.5
125.02471	0.9
133.02908	0.6
133.06610	19.3
134.03781	0.8
134.06961	0.9
137.02499	2.2
138.03236	0.6
139.04031	5.1
145.06613	0.6
147.04535	0.5
148.98863	1.0
149.02460	0.8
152.01158	4.7
153.05626	1.2
157.06612	1.8
159.04659	0.5
161.02469	9.1
162.03215	3.2
165.01939	7.8
166.02681	1.6
173.06129	1.4
174.06931	1.5
176.04778	4.4
176.98288	0.9
177.01958	4.2
177.05542	3.2
179.03531	1.1
185.48689	0.4
189.09241	2.6
193.04961	0.8
201.05589	4.9
202.05936	0.6
203.03569	0.6
207.06718	1.4
218.05881	1.3
219.06754	0.7
221.15504	0.8
233.08202	55.3
234.08662	2.6
236.10794	0.7
249.03069	0.9
261.11441	0.6
262.67068	0.5
264.96341	1.5
293.10397	54.9
293.13846	14.7
294.10730	3.4
294.13861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
65.00329	0.4
65.83614	0.1
69.51277	1.2
71.01377	0.5
79.95727	1.4
80.96513	0.2
89.02427	0.3
95.01385	0.7
95.05045	0.2
96.96017	100.0
97.95978	0.3
98.95619	1.1
113.09731	2.7
125.02645	0.1
131.03441	0.2
139.04050	0.3
148.98857	0.3
176.98276	0.5
213.14915	0.3
249.03058	0.2
249.11623	2.6
264.96304	0.6
275.09659	0.2
293.10696	26.3
293.13708	1.3
294.10925	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	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61042	0.3
58.02972	1.1
59.01381	2.1
65.00338	0.9
68.54772	0.3
69.03450	0.6
69.51864	2.9
71.01382	1.2
74.54026	0.3
82.82797	0.4
90.86631	0.3
95.01414	0.8
96.96033	2.0
98.95592	0.4
139.04021	0.7
148.98773	0.6
151.07555	0.4
152.01164	0.3
156.13950	100.0
157.14307	4.2
167.88831	0.4
192.11588	1.2
200.12910	7.0
205.12373	0.5
214.85796	0.4
220.14690	5.3
221.15482	9.1
223.49559	0.4
236.10544	6.9
247.02425	0.5
248.02818	3.4
249.02896	0.5
264.96317	0.8
284.72144	0.4
292.01819	0.5
292.09552	0.8
292.12769	1.2
292.19675	1.6
293.08597	0.6
293.14014	3.0
293.17700	1.5
293.21237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98161	0.3
55.01884	0.8
57.03438	0.4
59.01381	7.0
71.01391	1.7
71.59553	0.3
71.59952	0.5
74.11711	0.3
79.95725	1.6
83.01402	0.4
83.05059	0.6
83.25117	0.3
85.02960	0.6
85.06590	0.6
89.02453	0.7
95.05030	0.7
95.95254	0.3
96.96017	100.0
97.95967	0.4
101.02448	0.6
109.06567	0.4
111.08167	3.7
112.05332	0.6
113.06082	1.8
115.07719	0.3
121.06589	0.4
122.03726	0.4
131.07166	0.4
137.06061	0.4
151.11325	0.8
152.65353	0.3
161.04590	0.4
162.03215	0.7
167.17831	0.3
169.12349	1.8
174.79724	0.3
177.09236	0.7
195.10266	7.3
205.01376	0.4
213.11333	7.9
220.03203	0.3
221.15575	0.3
249.02863	2.2
249.07863	0.6
251.11302	0.8
268.46671	0.3
293.07010	36.9
294.07281	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.17289	0.4
57.03443	0.8
57.51488	0.5
59.01383	4.2
69.03454	0.8
70.06097	1.8
71.57339	0.6
73.02951	52.6
84.28620	0.5
96.96015	5.1
98.19942	0.6
99.04530	1.0
121.03017	0.6
137.06084	1.0
145.02983	0.5
148.36276	0.5
173.02414	0.6
175.00468	0.7
175.04005	1.2
191.03496	1.9
202.99870	0.6
203.03513	0.8
219.03032	1.0
246.98717	1.1
247.02487	16.1
248.02806	1.4
290.97971	1.0
291.01398	2.7
291.09082	1.6
291.12518	5.0
291.19678	100.0
292.12714	0.6
292.20001	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	292.1921
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.61042	0.3
58.02972	1.1
59.01381	2.1
65.00338	0.9
68.54772	0.3
69.03450	0.6
69.51864	2.9
71.01382	1.2
74.54026	0.3
82.82797	0.4
90.86631	0.3
95.01414	0.8
96.96033	2.0
98.95592	0.4
139.04021	0.7
148.98773	0.6
151.07555	0.4
152.01164	0.3
156.13950	100.0
157.14307	4.2
167.88831	0.4
192.11588	1.2
200.12910	7.0
205.12373	0.5
214.85796	0.4
220.14690	5.3
221.15482	9.1
223.49559	0.4
236.10544	6.9
247.02425	0.5
248.02818	3.4
249.02896	0.5
264.96317	0.8
284.72144	0.4
292.01819	0.5
292.09552	0.8
292.12769	1.2
292.19675	1.6
293.08597	0.6
293.14014	3.0
293.17700	1.5
293.21237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03438	0.6
58.76431	0.3
59.01372	1.0
69.45149	1.8
72.59754	0.3
83.05019	0.3
84.20857	0.2
95.05017	0.5
96.95998	0.7
97.06568	0.4
106.04217	0.3
113.06024	0.3
119.04992	0.5
125.06068	0.4
141.09286	0.4
143.37566	0.3
148.08943	1.5
149.09656	0.3
150.10507	0.9
151.11305	0.5
163.11241	0.7
165.12849	20.8
166.13141	1.3
175.11287	0.5
176.12054	0.6
177.12802	0.5
189.12904	0.3
191.03624	0.3
191.14394	1.0
217.15977	0.3
217.48853	0.3
229.19653	0.4
230.00143	0.2
245.19005	0.3
247.02519	2.1
247.16878	0.5
247.20679	10.9
248.20979	0.6
273.18594	6.8
274.18784	0.5
291.19662	100.0
292.20007	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.08993	0.8
59.01374	4.8
60.25486	0.8
65.00320	0.8
69.03454	1.9
72.67161	0.7
73.02969	0.8
74.21784	0.7
81.03461	38.2
82.03799	1.1
83.01377	3.4
83.05048	1.3
96.96024	7.7
99.04495	1.4
100.30252	0.9
132.76381	0.9
140.98204	0.9
157.93552	0.9
173.02362	1.1
175.00401	0.9
191.03485	3.4
203.03415	1.1
205.16035	0.8
207.17508	6.8
211.54472	0.7
219.02927	0.9
246.98796	1.0
247.02504	18.2
247.20677	87.9
248.02742	1.7
248.21025	7.8
249.18553	15.2
290.97827	1.2
291.01413	1.6
291.09088	1.9
291.12479	6.2
291.19669	100.0
292.20032	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	291.1605
Annotation	Latrunculeic acid
Peak:m/z	Relative Intensity
52.23370	0.3
52.56193	0.4
53.07447	0.3
55.80883	0.4
56.90897	0.3
57.03453	2.4
59.01383	4.1
65.00324	1.5
67.54983	0.4
69.03459	2.0
71.05029	0.6
79.95755	0.5
80.02705	0.5
81.03466	19.7
83.01416	2.2
95.01401	0.5
95.05012	1.8
96.96023	5.2
97.02961	0.4
97.06597	0.4
99.04514	1.3
106.90128	0.4
107.01405	0.9
111.04527	1.1
111.08231	0.5
121.02903	0.5
122.03767	2.8
123.04519	0.5
125.02448	7.0
135.04552	0.6
137.06068	0.6
139.04053	2.2
141.66942	0.4
147.00896	0.8
147.04497	1.0
151.00349	1.3
162.03204	0.6
163.04005	0.6
165.12834	0.7
175.03999	1.6
181.15967	0.9
183.13969	0.8
190.02696	0.7
191.03513	2.4
202.99849	0.9
203.03647	0.3
203.14349	0.5
205.15988	4.6
207.13892	8.5
209.01271	0.5
209.41516	0.6
218.99261	0.5
219.03001	1.2
231.17534	0.5
246.98865	0.7
247.02480	15.7
247.17032	47.1
248.02853	1.0
248.17313	3.4
263.20261	0.4
273.14987	1.1
273.18524	0.4
288.28625	0.5
290.98306	0.9
291.01453	1.9
291.09366	14.7
291.12479	6.1
291.16031	100.0
291.19589	7.2
292.09256	1.6
292.12924	0.8
292.16348	8.4
292.19608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1604
Annotation	7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
Peak:m/z	Relative Intensity
51.07486	0.4
52.79002	0.4
55.01872	0.5
57.03451	2.1
58.98903	0.4
59.01385	4.5
60.86186	0.4
65.00317	1.9
69.03465	1.5
71.05017	1.5
71.60261	0.4
71.92171	0.4
79.01906	2.5
79.90578	0.3
81.03464	14.4
83.01406	2.0
93.03468	0.4
95.05037	6.0
95.82800	0.3
96.96004	3.2
97.02940	1.4
99.04541	1.0
107.01392	0.9
107.05054	0.4
111.04547	0.5
119.05070	0.4
121.02962	2.7
122.03785	3.2
123.04587	0.4
125.02464	4.5
135.04500	0.6
137.06059	0.5
138.03181	0.6
139.04024	5.3
147.04514	1.2
151.00369	1.4
163.03951	0.8
165.01933	4.0
165.12733	0.3
166.02654	1.0
175.03946	1.2
179.03421	0.5
181.15895	0.5
183.13852	0.6
191.03528	2.5
193.12297	1.2
197.02545	0.4
202.99812	0.9
205.15985	3.4
207.13928	6.4
219.03012	0.9
239.34224	0.4
246.98802	0.7
247.02493	16.0
247.05020	0.8
247.17035	40.7
248.02771	0.6
248.17383	3.2
273.14993	1.2
291.01498	1.8
291.09085	2.1
291.12479	5.8
291.16025	100.0
292.13000	0.9
292.16357	8.6
306.37244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23143	0.3
57.03435	1.7
59.01389	4.8
66.86262	0.4
67.05550	0.4
69.03438	1.2
69.64189	2.2
71.01389	0.4
71.05019	3.1
81.46156	0.4
83.05042	1.1
91.01864	0.4
95.05034	0.9
96.96039	2.4
97.06581	1.3
98.20628	0.5
99.04512	0.6
101.62574	0.4
109.06635	0.5
111.08167	11.7
113.09738	0.6
119.05007	0.5
135.11798	0.5
137.09729	0.5
147.04489	0.9
149.09627	0.5
151.11298	0.5
161.09816	0.4
163.03954	0.5
167.10741	1.7
171.84846	0.5
173.02342	0.4
175.03987	1.0
177.12878	2.1
179.10828	1.8
179.14560	0.4
184.33488	0.3
191.03452	1.6
195.13905	7.6
196.14268	0.5
206.90799	0.4
206.93300	0.4
207.13936	0.4
219.02956	0.5
235.17027	0.6
246.98717	0.5
247.02480	11.4
247.20692	2.3
248.03069	0.5
273.18564	2.0
290.97507	0.4
291.01489	1.3
291.12878	3.5
291.19669	100.0
292.19995	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	291.124
Annotation	Curvularin
Peak:m/z	Relative Intensity
57.03218	0.6
57.03457	5.1
59.01382	5.5
65.00317	1.5
68.99800	1.1
69.03462	3.7
76.03065	0.5
81.03463	19.6
83.01385	4.1
83.05018	3.0
85.02934	1.5
93.03482	0.5
95.05026	1.9
96.96011	8.6
97.06590	0.8
99.04522	1.4
99.29321	0.4
107.01410	1.5
107.05020	0.5
109.06564	2.0
111.04507	0.7
111.08195	0.5
119.04962	0.5
122.03731	0.8
123.04507	0.9
123.08227	0.5
125.02451	22.2
135.04520	0.9
135.08157	0.8
137.06099	0.7
137.09731	1.5
144.84166	0.4
147.04594	0.6
147.08133	0.9
149.06070	0.8
149.09756	0.6
151.00372	2.0
161.06033	0.9
161.09669	0.8
163.03944	0.5
163.07663	0.6
163.11279	1.6
165.09219	4.8
173.02496	0.5
173.09772	0.7
175.04074	0.5
177.12840	1.7
179.03468	0.6
179.10747	0.5
180.04161	0.4
187.11284	4.9
189.09175	0.8
191.03473	1.6
197.08618	0.4
202.99875	0.7
203.03442	0.5
205.12303	3.4
207.10223	1.7
219.03009	0.8
219.13911	2.2
229.12372	1.5
246.98856	0.5
247.02473	11.9
247.13316	2.7
248.02728	1.0
249.11337	1.0
262.78903	0.4
263.12991	1.2
291.01486	1.8
291.12387	100.0
292.12750	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14772	0.3
69.41607	2.0
79.95761	1.7
96.96016	100.0
97.95944	0.3
98.95589	0.8
116.75266	0.3
163.04182	0.4
175.04059	0.3
184.84302	0.3
191.03484	0.6
193.43715	0.4
206.35201	0.3
219.07475	0.3
247.02510	3.5
291.01764	0.8
291.09113	25.1
292.09406	1.6
307.73935	0.4
313.33554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
66.66267	0.1
69.03461	0.1
69.92166	0.4
71.04673	0.1
71.05006	0.5
79.95281	0.1
79.95733	2.5
85.06591	0.1
88.79963	0.1
95.95222	1.0
96.96012	100.0
97.95947	0.3
107.08669	0.3
126.37473	0.1
167.14395	0.3
176.88512	0.1
206.06129	0.1
211.13385	2.2
247.10051	1.2
273.07941	0.8
274.08527	0.1
291.09076	50.8
292.09396	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	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30698	0.1
57.03462	0.1
59.01385	5.0
60.97499	0.5
69.03477	0.7
69.52190	0.9
71.28828	0.2
74.99075	1.4
75.96232	0.2
79.01900	0.4
79.95730	0.1
85.06606	0.4
85.63616	0.1
91.05554	0.2
93.00136	0.5
95.11736	0.1
96.96011	1.5
97.02967	0.2
99.04529	0.5
107.04967	0.2
109.06588	0.9
111.04536	1.0
119.01429	0.3
119.05045	0.2
121.02952	0.2
121.10170	0.2
125.09754	0.2
134.99373	0.2
135.04529	0.6
137.06085	0.2
144.86613	0.2
145.02965	0.3
147.00848	0.3
147.04517	0.4
149.00952	2.2
151.03966	0.2
153.05597	2.0
161.06395	1.2
163.04001	0.2
170.28137	0.1
173.02441	0.3
175.00282	0.2
175.04053	0.7
179.03502	0.4
179.10797	0.2
180.04282	0.2
180.91594	0.1
190.02733	0.3
191.03482	1.0
191.14346	0.2
192.98192	1.1
202.99870	0.3
203.03485	0.4
206.99696	0.5
209.01273	3.9
210.01250	0.3
210.99208	0.2
217.07217	1.9
218.07288	0.2
218.99382	0.2
219.02960	0.5
225.00642	0.8
246.98650	0.4
247.02461	7.8
247.17039	1.9
248.02829	0.6
249.11313	0.2
273.18756	0.2
275.05988	0.8
289.07532	2.4
290.07703	0.3
291.09116	100.0
291.16013	8.9
291.19662	3.6
292.09222	10.8
292.12732	0.3
292.16327	0.7
292.19690	0.2
309.10172	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	291.0148
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
70.05431	1.5
70.05765	0.4
73.27601	0.3
75.61800	0.3
103.05522	0.3
104.87769	0.3
109.02919	0.4
117.03442	0.4
119.05061	1.8
121.02915	0.4
132.01920	0.3
133.02953	0.5
135.04482	1.3
145.02965	2.9
146.03435	0.4
147.04521	3.8
159.04433	0.5
161.02449	0.6
163.04013	3.1
173.02431	3.5
174.03189	0.8
175.04031	4.1
177.01898	0.5
190.02744	3.3
191.03500	13.7
192.03818	0.6
201.01907	0.6
203.03482	2.4
205.01387	0.5
218.02223	0.5
219.02966	6.6
220.03317	0.4
221.04529	0.4
246.01526	0.6
247.02469	100.0
248.02814	5.7
291.01486	10.5
291.07651	0.5
292.01828	0.9
292.77429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
57.03461	1.2
57.68923	0.4
58.06092	0.4
65.00306	0.7
69.03460	0.7
69.52464	3.5
81.03458	8.9
81.07097	0.7
83.01382	1.9
83.05036	7.6
93.03453	0.9
95.05013	1.4
97.06588	0.9
107.05049	1.2
109.06628	2.8
121.06626	0.5
123.08168	14.4
124.01635	0.9
124.08490	0.5
137.02397	0.6
147.08145	0.7
149.09648	0.6
149.13353	0.7
152.01221	0.6
160.98833	0.6
165.01888	1.9
171.55266	0.4
175.14883	0.7
177.01857	0.5
177.12865	0.8
177.16496	0.5
203.14409	1.3
203.18016	2.4
205.15974	39.1
206.16315	2.5
217.15938	1.1
227.18060	1.5
245.19099	49.1
246.19386	3.8
247.17036	5.8
288.96768	0.5
288.99948	1.0
289.14636	6.4
289.18076	100.0
290.15317	0.6
290.18463	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83048	0.5
54.05107	0.6
69.37437	4.5
71.48405	0.6
73.21439	0.6
91.05549	1.5
98.20615	1.2
103.05538	2.4
105.03461	10.2
111.29144	0.6
119.05044	7.1
121.02985	1.7
130.04243	1.7
131.05032	4.4
133.02989	2.1
145.02995	2.1
147.04530	20.4
148.04893	1.4
158.03697	3.6
159.04535	6.9
160.01640	1.4
161.02425	1.3
163.03984	1.2
173.02464	2.5
174.03159	1.2
175.04016	77.4
176.01204	0.6
176.04346	4.6
177.05563	5.6
190.02658	1.4
191.03487	6.9
201.01836	1.4
203.03516	52.2
204.03839	3.3
219.02995	2.3
221.04555	10.9
247.02486	100.0
248.02840	5.8
273.00519	0.9
291.01486	24.2
292.01813	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	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
58.00610	0.4
59.01386	8.2
63.41034	0.4
71.59940	0.7
72.99315	0.8
75.00874	1.0
78.95905	2.5
79.95749	1.6
80.96531	0.5
84.99319	0.6
87.00892	6.4
92.94305	0.4
95.05072	0.5
96.96034	4.1
96.96967	5.7
97.06578	0.7
103.00382	3.7
111.08160	1.8
112.98817	6.7
120.99656	0.9
130.99873	1.3
149.00934	1.1
149.06065	3.1
157.08713	100.0
158.09039	3.5
191.05598	0.8
199.00085	0.7
200.57004	0.4
209.08215	0.8
229.01740	1.0
289.00180	1.1
289.03885	8.2
289.09125	2.9
296.58130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08585	0.4
57.03444	2.8
59.01380	4.8
67.52283	0.5
69.67899	2.9
72.99343	0.5
81.03449	2.6
83.01402	2.2
87.00880	4.5
93.03474	1.2
95.01405	0.5
95.05063	2.0
97.02959	5.4
103.00375	3.1
108.02175	0.9
109.02956	18.2
110.03284	0.6
112.98814	5.6
121.02980	1.7
122.03742	1.0
123.04530	12.9
125.02454	9.9
130.99858	0.7
135.04530	1.5
137.02448	5.8
139.04028	1.9
145.02954	1.0
146.03699	0.5
149.00981	0.9
149.02461	2.5
150.03230	1.0
151.04008	5.9
157.08702	100.0
158.09047	4.0
159.04543	1.9
160.05258	0.8
161.06071	2.5
162.03238	1.0
163.03989	0.6
164.01149	2.5
165.01962	2.5
167.03479	1.2
173.06001	0.6
175.03949	1.0
175.07664	1.1
177.05673	0.7
179.03503	4.8
185.06126	0.5
187.03995	2.4
188.04739	2.0
199.07693	0.5
201.05676	0.6
202.06358	1.1
203.07144	7.7
205.05072	5.7
221.08109	2.4
227.07069	1.8
227.62949	0.4
231.03119	0.6
245.05687	0.9
245.08185	13.1
246.08478	1.0
247.05997	1.0
289.04355	1.3
289.07092	36.1
290.07358	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.1
59.01379	3.0
65.41360	0.9
66.91405	0.8
69.03455	1.1
69.61587	5.7
75.83961	0.8
79.95746	2.0
80.02686	1.0
80.96475	0.9
81.03469	5.2
83.01405	5.9
93.03454	3.5
95.01400	2.1
95.05038	7.7
97.02959	14.3
101.63293	0.9
108.02187	2.4
109.02956	47.5
117.03460	0.8
121.02985	6.5
122.03736	2.7
123.04529	34.9
124.04839	1.0
125.02451	27.3
126.02817	0.9
135.04498	4.3
137.02454	14.4
138.03181	1.1
139.04010	6.5
145.02913	2.6
146.03734	2.8
147.08177	1.2
149.02440	6.8
149.06078	2.7
150.03223	1.9
151.04024	16.8
152.04346	0.9
157.06613	0.9
159.04500	4.3
160.05257	2.9
161.02426	1.4
161.06093	9.2
162.03203	2.8
163.04021	1.9
164.01207	4.7
165.01941	5.4
167.03477	2.8
173.06047	1.5
174.03206	1.5
175.03987	3.2
175.07658	4.0
179.03502	10.3
180.03806	0.9
185.06111	2.1
187.04025	7.2
188.04765	6.2
202.06317	3.3
203.07156	21.0
204.07468	1.6
205.05037	12.3
206.05330	1.6
209.08232	1.3
212.04831	1.1
221.08276	5.8
227.07150	5.0
229.01768	1.5
231.02911	1.1
245.08206	33.7
246.08502	3.0
247.06175	1.8
271.06177	1.8
289.03970	9.5
289.07166	100.0
290.07468	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.58731	0.5
53.70036	0.8
55.54456	0.5
56.53193	0.6
56.71906	0.6
57.03469	3.4
69.03484	1.2
76.38258	0.7
81.03465	3.3
82.13020	0.6
83.01398	3.0
93.03461	1.7
95.01385	1.2
95.05021	4.8
97.02962	8.5
99.04515	0.6
108.02154	2.1
109.02961	28.8
121.02943	3.9
122.03730	2.1
123.04533	19.4
125.02454	18.2
129.20056	0.6
135.04504	1.7
137.02458	9.9
138.03162	1.0
139.04039	3.8
139.26274	0.7
145.02925	1.3
146.03738	1.5
149.02461	3.9
150.03294	1.2
151.04005	8.1
159.04507	2.7
160.05267	1.8
161.02385	0.9
161.06076	4.9
162.03185	0.8
163.03972	1.3
164.01088	2.9
165.01973	3.7
167.03535	1.5
173.05997	0.9
174.03304	0.9
175.03983	2.2
175.07672	2.4
177.05650	0.9
179.03482	7.5
183.04314	0.6
187.03975	4.0
188.04832	3.1
202.06358	2.0
203.07153	10.9
205.05054	9.2
221.08191	3.0
225.74661	0.6
227.07109	1.8
245.08186	27.2
246.08519	2.5
247.06018	1.5
251.33348	0.6
270.83905	0.6
271.05984	0.8
289.07187	100.0
290.07565	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	289.072
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03452	5.9
59.74403	0.7
66.56870	0.8
69.03462	2.3
69.82734	4.2
79.95722	1.6
81.03438	4.6
83.01392	6.8
83.05053	1.1
93.03469	2.2
95.01403	1.5
95.05032	7.8
95.95244	1.3
96.96010	5.0
97.02953	12.3
98.20545	1.1
99.04490	1.4
108.02164	2.1
109.02959	51.6
110.03313	1.0
111.04510	1.1
121.02951	5.9
122.03727	2.9
123.04533	32.5
125.02451	28.5
126.02810	1.1
133.02969	3.7
135.04535	3.3
137.02448	18.8
138.03262	1.3
139.03999	6.7
145.02940	2.8
146.03752	2.7
147.04590	1.4
149.02455	6.7
150.03192	3.0
151.04015	15.3
152.04349	0.9
159.04532	5.1
160.05238	3.5
161.02510	2.3
161.06091	7.7
162.03242	2.6
163.04036	1.7
164.01123	5.6
165.01944	5.9
166.02693	0.9
167.03470	2.5
173.06052	2.1
174.03192	1.1
175.04041	4.8
175.07594	3.2
177.05643	0.9
179.03516	8.2
185.06041	2.1
187.04024	8.2
188.04768	7.8
199.07590	1.1
201.05566	1.0
202.06349	2.8
203.07140	21.7
205.05063	12.7
209.04504	5.3
212.04820	1.5
217.05396	0.9
217.08556	1.2
221.08115	6.9
227.07169	2.9
229.04961	1.0
230.05782	1.5
231.02969	1.0
245.08197	32.2
246.08498	3.3
247.06100	1.8
289.00244	2.9
289.07199	100.0
290.07526	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	288.9873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81855	1.2
57.03468	1.1
59.01385	8.5
71.36089	2.5
72.99321	1.2
75.00859	1.7
78.95912	14.6
79.95738	4.8
82.35924	1.0
83.80202	1.0
85.02945	2.1
87.00885	6.8
87.17999	1.1
96.96013	23.1
96.96973	31.5
97.06612	2.2
98.40336	1.1
103.00396	4.5
111.08169	2.2
112.98800	7.6
115.13924	1.2
120.99699	1.3
128.03453	1.3
142.99864	3.3
149.00894	1.7
149.06067	3.5
157.08711	100.0
158.08987	2.1
173.00945	3.0
191.05635	18.9
200.99001	1.2
209.04776	1.7
214.51085	1.2
229.01691	1.8
256.89520	1.1
261.00488	2.0
289.00275	3.2
289.03821	14.7
289.09262	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	288.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.4
71.01398	3.3
72.97501	1.2
72.99323	1.9
73.01210	1.5
75.57364	1.1
78.95921	13.5
79.95745	2.8
82.65654	1.1
87.00861	7.3
96.96029	52.8
96.96981	30.0
103.00396	3.7
111.08141	1.7
112.98838	6.9
114.93391	1.4
120.99679	1.8
121.03329	3.1
128.03552	8.1
142.99890	3.7
149.06119	2.7
157.08720	100.0
158.09001	3.4
159.14737	1.3
173.00940	3.9
191.05602	2.0
199.79462	1.3
200.05725	3.0
200.98944	3.0
209.04868	4.0
289.00714	3.2
289.03799	9.1
289.09302	4.0
290.08878	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	288.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.1
69.81142	2.7
69.81561	4.6
72.99316	1.2
78.95916	10.6
79.95730	3.0
83.71678	1.0
87.00866	6.3
96.96021	25.4
96.96968	27.2
103.00357	4.0
103.02186	1.1
112.98808	6.6
121.03276	2.0
128.03560	7.6
130.99879	1.5
138.97881	1.2
142.99832	2.8
149.00876	1.2
149.06071	1.6
151.21342	1.4
157.08710	100.0
158.09000	2.1
173.00887	2.9
178.35918	1.6
191.05519	2.5
199.00041	1.2
200.05698	2.2
200.98932	2.3
229.01651	1.3
245.01457	1.4
289.00449	2.1
289.03824	9.7
289.09250	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	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36461	0.8
57.03434	2.3
57.27877	0.8
59.01365	1.4
65.00322	2.4
69.03444	1.0
69.41727	7.3
73.98866	0.9
81.03458	16.5
83.01372	1.3
83.05035	14.5
85.02966	1.8
93.03436	0.9
95.01374	1.0
95.05018	3.6
95.13364	0.8
95.73220	0.7
97.02943	1.4
97.06579	2.8
109.06593	4.9
121.02991	1.5
121.06591	1.2
121.10251	7.6
123.07323	1.4
123.08174	13.9
124.01666	3.2
125.02402	0.9
133.06627	1.0
133.10258	1.3
135.08124	2.6
135.11798	1.1
137.02431	3.4
139.04068	1.2
147.08211	1.2
147.11731	2.2
149.09718	2.8
151.00314	1.6
152.01115	2.6
159.00835	1.1
159.08147	1.5
163.11334	4.3
163.69388	0.9
165.01933	11.7
172.60149	0.9
177.01923	1.9
187.00371	1.1
187.11372	1.2
187.15030	1.1
191.03479	1.7
201.12863	2.1
201.16481	2.7
203.14421	18.3
204.14731	1.2
205.04939	0.9
214.99971	1.1
215.14307	1.4
225.16484	4.9
230.99379	1.2
243.17529	37.0
244.17854	2.7
245.15471	5.9
251.03995	1.0
269.15433	1.2
286.98383	4.8
287.12909	16.7
287.16492	100.0
288.13489	1.6
288.16870	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	287.2019
Annotation	trans-Dehydroandrosterone
Peak:m/z	Relative Intensity
51.45506	0.3
69.31497	3.0
69.31898	0.6
79.05531	1.2
81.02975	0.8
81.03465	15.8
93.03444	0.7
95.01363	0.5
95.05006	0.4
96.27245	0.4
98.19843	0.7
106.60496	0.4
108.02150	1.2
122.03749	15.8
123.04536	28.1
124.04841	0.7
125.02454	1.0
135.04529	2.1
137.02426	1.2
147.04538	1.0
153.01927	0.5
154.02699	0.5
161.06108	2.7
174.46173	0.3
230.99266	0.5
233.29550	0.3
243.21152	1.6
244.67410	0.4
245.19179	3.7
246.19479	0.4
286.98392	1.2
287.20178	100.0
288.20508	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	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.00698	0.3
59.01373	1.0
65.03961	0.4
68.99774	0.3
69.80315	1.7
70.21072	0.3
70.47046	0.3
81.03468	1.5
88.16713	0.3
92.05072	0.6
93.03458	1.8
98.19939	0.4
107.03768	0.7
107.36355	0.3
108.02188	0.7
108.04552	5.0
109.02963	5.7
121.03020	0.3
124.01643	0.4
134.02492	40.3
135.03311	9.6
136.04054	42.0
137.02460	1.4
137.04393	1.5
138.07858	0.3
139.04007	0.5
140.92351	0.3
148.04053	0.8
149.04803	1.5
160.21127	0.3
160.98734	0.3
176.03542	4.9
177.04175	0.4
190.05035	0.5
204.04320	0.6
204.06528	0.6
220.32339	0.4
260.16620	0.5
287.98685	0.9
288.16071	100.0
288.96286	0.4
289.11264	2.7
289.16354	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	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36461	0.8
57.03434	2.3
57.27877	0.8
59.01365	1.4
65.00322	2.4
69.03444	1.0
69.41727	7.3
73.98866	0.9
81.03458	16.5
83.01372	1.3
83.05035	14.5
85.02966	1.8
93.03436	0.9
95.01374	1.0
95.05018	3.6
95.13364	0.8
95.73220	0.7
97.02943	1.4
97.06579	2.8
109.06593	4.9
121.02991	1.5
121.06591	1.2
121.10251	7.6
123.07323	1.4
123.08174	13.9
124.01666	3.2
125.02402	0.9
133.06627	1.0
133.10258	1.3
135.08124	2.6
135.11798	1.1
137.02431	3.4
139.04068	1.2
147.08211	1.2
147.11731	2.2
149.09718	2.8
151.00314	1.6
152.01115	2.6
159.00835	1.1
159.08147	1.5
163.11334	4.3
163.69388	0.9
165.01933	11.7
172.60149	0.9
177.01923	1.9
187.00371	1.1
187.11372	1.2
187.15030	1.1
191.03479	1.7
201.12863	2.1
201.16481	2.7
203.14421	18.3
204.14731	1.2
205.04939	0.9
214.99971	1.1
215.14307	1.4
225.16484	4.9
230.99379	1.2
243.17529	37.0
244.17854	2.7
245.15471	5.9
251.03995	1.0
269.15433	1.2
286.98383	4.8
287.12909	16.7
287.16492	100.0
288.13489	1.6
288.16870	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	287.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.6
65.00328	8.6
69.31671	0.5
69.67546	2.3
81.03474	1.2
83.01386	0.7
83.05035	1.2
87.74881	0.5
89.00348	1.7
90.33621	0.5
91.01901	2.0
93.03461	1.0
93.19974	0.6
95.01395	0.9
97.02975	4.4
107.01430	0.7
109.02918	1.0
111.00868	0.7
121.02980	3.3
122.03740	1.6
123.00896	1.4
123.08167	0.8
124.01674	27.7
125.57640	0.6
135.00870	1.1
137.02444	15.2
138.02837	0.6
139.04018	12.6
147.04544	0.7
149.99614	1.3
150.03249	1.8
151.00333	1.6
151.03990	1.0
152.01163	33.5
153.01543	0.7
163.03993	1.5
165.01939	58.6
166.02654	3.9
177.01929	6.1
179.03532	5.4
180.04214	0.7
181.05060	5.0
183.02969	1.2
191.03526	3.6
193.05040	1.1
203.14380	0.8
205.05064	1.0
217.05054	0.6
243.17560	1.7
254.56467	0.6
255.10342	1.0
257.08240	1.8
271.09833	3.4
272.10263	0.6
285.60629	0.6
286.98419	2.5
287.12924	100.0
287.16306	5.9
288.13281	9.5
288.16513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45634	0.3
54.36981	0.3
59.01380	0.5
65.00325	4.6
66.43237	0.3
67.42408	0.4
70.11934	0.9
70.12325	0.7
83.01421	0.6
89.00330	0.8
91.01908	1.3
93.03458	1.3
95.01376	2.0
96.02209	0.9
97.02954	2.7
107.05018	0.5
109.02969	1.1
111.00884	0.6
117.57848	0.4
121.02966	2.7
122.03745	3.7
123.00894	1.6
124.01667	42.2
125.01957	0.5
135.00830	0.8
135.04529	0.7
137.02458	16.8
138.03087	0.5
139.04019	19.5
140.04358	0.7
147.37500	0.3
149.02481	0.6
149.99681	1.8
150.03268	2.3
151.00429	1.3
151.04036	2.4
152.01160	53.7
153.01514	1.6
163.00322	0.4
163.04007	0.8
165.01938	60.0
166.02483	2.9
177.01897	2.6
179.03514	5.6
180.04248	1.1
181.05081	6.9
184.00191	0.7
191.03522	1.8
193.05090	1.4
217.04739	0.4
227.10928	0.7
230.99307	0.6
255.10307	0.7
257.08215	2.1
271.09769	3.5
272.07684	0.4
272.10498	1.6
285.74374	0.4
286.98495	2.5
287.12897	100.0
288.13226	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	287.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
55.41682	0.4
57.03446	1.3
59.01379	0.6
65.00327	0.7
69.47434	3.4
71.05029	3.7
77.03965	1.0
79.01899	5.5
81.03474	0.9
83.01408	1.3
83.05048	0.6
89.12471	0.4
93.03490	0.7
93.07182	0.5
95.05029	8.4
96.05383	0.5
97.02961	4.1
98.24845	0.5
101.86130	0.4
104.31715	0.5
105.59875	0.5
107.05037	1.0
109.06580	0.7
119.04993	0.6
121.02972	5.3
121.10190	0.5
122.03764	1.4
123.08198	0.6
124.01640	0.5
125.02469	1.7
131.01392	0.6
131.04977	0.5
135.04468	0.7
136.05305	0.7
137.02441	1.9
137.06104	4.3
138.03235	1.8
139.04030	13.5
140.04314	0.5
144.10846	0.4
147.04532	0.7
147.08173	0.7
151.03990	1.2
151.07671	1.4
152.04796	0.6
163.03986	1.2
165.01935	16.4
166.02731	2.6
179.03502	7.6
180.04295	18.6
181.04964	1.7
187.00446	0.6
187.07603	0.8
189.09206	0.9
191.03500	4.5
193.05020	0.7
201.12836	2.9
205.04984	0.6
206.05846	1.4
212.03317	3.1
213.05659	0.6
214.99892	1.0
225.12706	0.7
230.99309	1.3
243.13887	7.6
244.14223	0.4
259.61478	0.5
269.11707	2.9
286.98431	3.5
287.12912	100.0
288.13272	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	287.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75059	0.1
53.19018	0.1
56.25676	0.1
57.03452	0.1
61.99436	0.1
63.02407	0.5
65.00334	3.1
69.85603	0.5
79.95751	1.3
83.01398	1.4
93.58902	0.1
96.96021	100.0
97.95946	0.3
98.19904	0.1
107.01405	4.2
107.05042	0.2
108.01708	0.2
108.99384	0.1
109.02963	0.4
118.25801	0.1
123.00902	0.1
125.02458	1.2
131.01439	0.1
134.03740	0.6
135.04538	28.0
136.04883	1.1
137.02425	0.1
139.00421	0.1
151.00385	23.3
152.00717	0.9
155.63680	0.1
161.02454	0.2
165.01962	0.1
169.01428	0.5
187.00304	0.2
204.55992	0.1
207.10326	0.3
214.99959	0.1
233.39297	0.1
233.69099	0.1
269.04773	0.1
286.56000	0.5
286.98383	0.4
287.05783	4.0
287.09628	11.5
288.06073	0.3
288.10001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03292	0.8
57.03450	4.8
59.01383	2.3
61.98842	1.2
65.00320	1.4
72.99315	2.1
75.00869	1.4
79.95744	2.9
83.01398	4.7
83.67891	0.9
86.99117	1.3
87.00853	1.0
90.90977	0.9
96.96017	13.4
98.20610	2.3
98.95618	1.1
99.04562	1.1
109.02956	1.3
117.05366	1.0
121.02947	1.9
123.00902	2.4
124.01639	1.5
125.02446	41.7
126.02760	2.2
127.05008	1.4
132.04596	1.4
135.04492	5.3
136.04860	1.7
142.06635	2.0
143.05072	1.2
143.06989	5.5
144.04617	1.2
148.01619	2.5
149.02472	4.3
149.06033	1.0
151.00348	2.1
155.05019	1.6
157.07719	2.2
158.03712	1.5
158.05975	1.3
159.04555	4.6
159.06438	3.2
160.00710	2.7
161.02473	1.3
163.04030	5.2
165.01884	1.3
169.01408	2.8
171.04512	3.0
172.05298	1.8
173.03510	5.1
177.05630	1.2
179.03476	2.1
181.07706	2.0
182.03680	1.1
183.05743	12.1
187.04021	17.0
193.12413	1.0
199.04054	7.4
200.04805	15.0
201.05368	1.8
205.06987	7.9
207.07428	1.2
211.04008	7.7
213.02101	1.6
214.10791	1.2
214.99965	1.2
215.04642	38.2
215.11174	3.5
216.04892	1.4
219.06717	1.4
225.02257	1.3
227.03441	4.6
228.04271	17.0
231.03038	2.1
243.06720	11.6
244.06998	1.3
245.04518	4.4
255.02980	15.7
259.02301	2.1
259.06055	2.9
286.98380	2.1
287.02237	16.7
287.06644	100.0
287.18701	4.1
288.02414	1.2
288.06970	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
70.94431	1.0
75.58194	0.5
81.03502	0.6
83.36730	0.5
108.02178	100.0
109.02978	24.1
123.04507	1.2
133.02965	0.8
141.41997	0.5
142.42989	0.6
148.61124	0.5
151.04031	1.4
152.01154	63.9
153.01941	38.6
153.02901	0.5
154.02289	1.7
163.04031	1.3
165.01993	0.8
189.73355	0.5
222.80269	0.6
236.38023	0.6
285.06168	64.6
286.06375	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	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
52.76170	0.4
69.56063	1.6
69.56473	1.3
81.03461	1.0
91.71982	0.5
93.03489	0.5
98.19872	0.8
103.83146	0.4
108.02180	100.0
109.02997	15.9
116.56470	0.4
121.02979	0.7
133.02960	1.0
135.00908	0.5
142.34099	0.5
151.03973	1.7
152.01160	68.2
153.01950	31.7
154.02301	1.4
163.03981	1.0
165.01913	0.8
181.04901	0.5
194.74268	0.5
285.06168	65.7
286.06473	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	285.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34465	1.2
52.84914	1.4
57.03448	4.5
59.01395	1.5
61.84439	1.1
68.99850	1.4
69.03445	2.8
71.09937	2.6
81.03471	29.7
82.78754	1.2
83.01397	2.5
83.05045	9.3
95.05033	3.3
103.35043	1.3
105.07123	1.4
107.04976	1.9
107.08655	3.1
109.06602	15.0
110.06916	1.3
117.07215	1.6
119.08667	3.4
123.08183	26.7
124.08490	1.4
125.02421	1.3
131.08633	1.7
133.10246	22.1
143.05092	1.6
143.13589	1.3
145.06560	4.2
147.08138	1.9
147.11766	1.2
148.42172	1.3
149.09729	9.9
159.08183	6.3
163.11391	1.7
171.08224	1.5
173.09761	1.5
173.13358	3.4
185.09695	2.0
199.11264	4.1
199.14912	4.4
201.12868	10.3
211.11200	2.0
213.12898	1.7
223.14897	2.7
241.15987	21.0
242.16371	2.9
243.13884	5.3
285.04065	5.7
285.14987	100.0
285.27014	5.8
286.15210	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	285.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82416	0.9
57.03441	3.0
59.01383	4.2
65.00330	4.8
69.03473	2.5
69.70437	5.7
70.50289	1.0
74.46349	0.9
78.95903	1.2
79.05546	2.0
81.03467	28.5
81.07099	1.2
83.01382	2.2
83.05035	8.4
88.74514	1.1
93.03463	1.2
93.07073	1.9
95.05032	4.7
96.00489	1.2
105.07135	1.5
106.04223	1.0
107.05034	3.2
107.08674	2.8
109.06602	12.4
111.04549	1.8
117.07130	1.6
118.07294	1.1
119.08675	1.7
121.06553	2.0
121.10217	0.9
123.04541	9.7
123.08180	30.8
124.08523	2.2
125.02417	1.1
131.08702	1.5
133.06606	1.7
133.10260	23.2
143.05077	1.6
145.06609	3.1
145.10245	1.9
147.08168	2.9
147.11798	1.6
149.09738	10.1
151.00409	1.3
153.01907	1.2
159.08171	7.4
173.09778	2.3
173.13388	4.7
183.11731	1.2
185.09735	2.9
197.09862	1.5
199.11409	1.7
199.14963	6.5
201.12846	8.2
213.12904	2.8
223.14978	2.0
239.14308	1.5
239.47507	0.9
241.16000	21.4
242.16280	1.9
243.13940	6.4
267.84064	1.0
284.26852	1.3
285.04044	4.4
285.15012	100.0
285.18460	8.3
285.24146	2.5
285.27118	5.5
286.15381	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	285.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.3
71.61940	0.4
73.22724	0.4
79.05551	1.5
81.03466	22.3
83.01409	0.3
89.61927	0.3
93.03465	0.8
95.01406	0.7
108.02177	0.9
109.02961	0.9
109.36274	0.3
122.03754	20.9
123.00896	0.6
123.04539	48.7
124.01670	0.4
124.04897	1.6
124.32601	0.4
125.02422	0.7
129.09189	0.6
135.04539	5.1
136.05267	0.8
137.02440	1.0
147.04521	1.2
149.06154	0.5
153.11014	0.3
154.02751	0.8
155.61513	0.3
161.06091	3.3
175.07654	0.7
191.10886	0.4
241.19620	1.1
243.17545	2.7
283.16989	0.8
285.18613	100.0
286.18930	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	285.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01367	0.8
59.91441	0.3
65.00331	0.5
69.54219	1.6
69.54648	1.1
79.05533	1.7
81.03462	24.8
82.03786	0.5
93.03468	0.7
94.65314	0.3
95.01375	0.8
108.02187	1.1
109.02971	0.8
111.00909	0.5
122.03741	21.2
123.00928	0.8
123.04536	50.0
124.04864	2.1
125.02444	1.1
135.04544	4.5
136.05334	0.6
136.94078	0.3
137.02432	1.5
147.04530	1.2
149.06017	0.4
154.02754	0.6
159.04604	0.6
161.06058	3.7
175.07603	0.6
181.42268	0.4
241.12315	0.6
241.19626	1.0
243.17604	2.6
244.17921	0.4
280.05441	0.4
283.16959	0.6
285.18607	100.0
286.18961	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
50.90686	0.5
54.42448	0.4
57.03424	0.6
58.36926	0.5
59.01372	0.6
59.76304	0.5
64.29166	0.5
78.95912	0.7
83.05029	0.7
98.19734	0.9
123.00914	0.6
126.47331	0.5
223.20680	60.6
224.21005	4.9
229.17200	0.6
241.21814	0.8
267.19659	33.5
268.20154	2.7
285.04047	1.9
285.20731	100.0
285.27133	2.3
286.21036	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.07367	0.4
54.68635	0.3
57.07789	0.3
59.01357	0.6
70.02974	1.1
73.99042	0.3
74.06102	2.0
82.76067	0.5
85.02957	1.4
106.83864	0.4
108.55186	0.4
117.07109	1.3
118.05122	0.8
131.01329	0.4
159.00882	0.5
187.00342	0.7
214.99846	0.8
224.26675	0.4
228.98029	0.4
230.99338	1.0
240.23285	2.9
242.21227	1.5
268.22946	0.5
284.22330	0.4
286.23883	100.0
286.98260	4.1
287.16452	1.4
287.24335	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.42238	2.5
54.54319	2.6
57.03437	7.2
59.01370	3.2
60.11834	3.4
67.01867	3.1
69.59602	13.8
69.60005	5.4
74.07387	2.5
79.95750	3.0
80.96504	3.2
83.01386	22.5
92.04178	2.9
93.03454	8.3
95.01376	4.8
96.18133	2.5
96.96016	100.0
97.02956	5.6
107.05027	3.5
107.66806	2.6
108.02184	7.3
109.02953	42.0
119.05013	5.5
121.02946	30.8
123.00879	5.1
124.01686	21.6
124.02441	4.1
125.02446	80.3
133.06584	7.6
135.04553	16.2
136.70769	2.7
137.02448	90.4
138.02890	3.9
145.02927	4.4
145.06581	11.6
147.04535	11.4
148.05281	6.6
149.02448	31.4
149.06122	5.6
150.03242	15.5
151.00317	4.3
151.03998	13.3
155.05086	3.8
158.03665	5.7
159.03560	2.6
159.04559	27.3
161.02448	24.2
162.03130	3.7
163.03922	5.2
164.01144	10.4
165.01906	31.4
169.01416	5.1
172.05298	13.0
173.06047	26.3
174.03209	10.4
175.03993	65.8
176.04660	4.3
177.01938	12.8
177.05511	17.5
183.04521	12.5
187.03975	5.0
189.05556	12.3
191.03619	2.9
191.07106	8.1
197.06062	8.3
199.04010	8.8
200.04697	9.0
201.01851	3.6
201.03844	4.5
201.05588	54.3
203.03503	16.9
207.02812	3.5
207.06573	9.3
213.05617	5.3
215.07080	13.5
217.05078	21.0
219.06654	27.0
225.05602	12.5
241.05090	7.9
243.03043	7.1
243.06548	24.6
244.03967	3.2
245.04527	11.4
254.77649	2.9
258.05365	9.8
259.06097	77.4
260.06393	6.6
269.04495	13.7
286.98828	3.2
287.02658	18.9
287.05624	98.4
287.09451	10.7
287.53116	6.8
288.05969	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	283.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.7
72.00907	6.9
74.02477	9.0
75.17287	0.6
79.95743	35.8
80.96555	1.3
96.96033	2.5
102.98574	0.9
116.05073	29.6
117.05511	0.7
130.06650	1.4
142.06628	81.6
143.06979	4.1
157.07729	0.7
158.06104	2.4
159.09264	6.1
186.05568	2.2
196.00693	0.8
203.08276	35.3
204.08638	1.5
209.01442	0.8
210.02293	1.2
222.02315	40.2
223.02600	1.5
238.01884	3.4
241.00406	4.1
266.01166	1.1
283.03952	100.0
283.26419	14.2
284.04291	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	283.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.99603	0.4
59.01382	14.6
69.54708	2.5
71.01394	0.4
71.05019	1.0
72.99287	0.6
79.95763	1.6
96.96017	100.0
98.19894	0.8
98.95603	1.0
102.98586	1.5
107.55127	0.4
113.09738	0.5
116.05063	0.6
123.00888	0.8
125.02447	1.1
128.05061	0.4
130.06601	0.4
142.06595	2.2
143.10771	1.7
157.12323	2.9
158.06152	2.0
168.00739	0.5
169.01401	2.1
185.11844	1.2
186.05563	0.6
194.56506	0.4
194.93068	0.4
203.12891	24.5
204.06630	3.7
204.13214	1.2
210.02287	0.6
221.08563	10.0
222.02373	0.7
223.06424	3.3
241.03552	2.6
258.45776	0.4
265.07480	0.8
283.08597	60.3
283.26440	38.3
283.99710	0.6
284.02429	4.3
284.05606	0.7
284.08856	3.0
284.26694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0859
Annotation	Psilocybin
Peak:m/z	Relative Intensity
51.40342	0.4
51.47616	0.4
58.29406	0.5
59.01385	18.8
63.11523	0.4
64.59977	0.5
70.08329	0.8
70.08748	1.8
71.01363	0.8
71.05000	0.7
72.99278	0.8
77.83170	0.4
79.95744	1.4
89.02457	0.6
89.98957	0.4
96.70751	0.4
96.96019	100.0
98.95623	0.5
142.06590	1.0
143.10741	1.2
170.64825	0.5
203.12910	13.4
204.06686	1.3
204.13179	0.9
221.08553	13.7
222.08942	0.7
223.06480	7.2
265.00696	0.5
283.08591	70.0
283.26468	4.2
284.02344	2.1
284.08826	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	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
60.16851	0.4
63.69802	0.4
65.71252	0.4
69.64989	1.0
69.65422	1.5
71.08694	0.3
95.01430	0.6
98.20581	0.4
106.04265	0.5
107.05034	100.0
108.05359	3.0
117.16274	0.4
121.25122	0.4
123.04524	0.7
136.39360	0.4
149.94839	0.4
163.11292	95.4
164.11629	4.1
168.62910	0.4
188.90892	0.4
223.08110	0.3
235.65131	0.4
248.07851	0.4
273.21664	0.5
279.51376	0.4
283.17044	84.0
283.22934	2.0
283.26389	27.4
284.17404	7.3
284.26877	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	284.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49712	4.0
71.26355	0.5
72.99313	10.2
72.99723	0.6
75.00853	1.0
79.95744	9.3
80.96517	1.4
86.06268	0.6
95.13618	0.5
96.96025	7.2
116.05074	15.9
117.05367	0.7
128.05078	6.6
130.06636	7.7
132.04558	1.6
142.06627	54.2
143.06970	2.0
144.04509	1.3
158.06119	40.1
159.06450	1.9
172.04018	0.8
186.05629	16.4
196.00793	0.9
204.06656	85.2
205.06998	4.3
210.00418	1.1
210.02309	12.4
211.02834	0.8
222.02318	21.4
238.01785	2.6
266.01306	0.9
283.26477	1.9
284.02344	100.0
284.08890	2.2
284.26831	0.8
285.02707	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	281.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98483	0.4
57.03451	2.3
59.01386	5.1
59.82313	0.4
65.00330	1.3
68.19221	0.4
69.03451	0.7
71.01405	0.4
73.02937	0.5
81.03464	11.7
82.03808	0.5
83.01391	2.1
83.05054	2.2
85.02963	0.7
92.99820	0.5
93.03474	0.5
95.01414	0.5
95.05034	0.9
96.95999	0.7
97.06606	1.4
107.01414	1.6
109.02919	0.4
109.06602	0.5
109.07885	0.4
113.02488	0.6
114.68710	0.4
119.01361	0.5
121.02947	1.3
122.03749	5.4
125.02457	8.2
136.05360	0.6
137.02496	0.8
138.73868	0.4
149.02507	0.7
151.00343	1.4
155.10780	1.2
161.99677	0.4
162.03235	0.7
164.98300	0.5
165.01962	1.1
165.10924	0.4
168.04250	0.6
169.12378	0.5
171.13910	1.2
180.03844	0.4
191.00006	0.4
192.99731	0.4
193.01421	0.4
193.12282	1.1
195.13914	3.1
197.11856	3.5
207.13983	0.8
209.15414	0.7
218.99377	0.5
219.13910	1.2
221.08083	0.6
235.13483	0.4
237.14964	19.2
238.15317	1.4
239.12787	0.6
263.12930	1.1
263.16571	1.2
281.13959	100.0
281.24573	2.4
282.14322	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	281.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97479	0.4
57.03445	2.4
59.01381	4.4
64.46640	0.3
65.00327	1.7
67.01881	0.5
69.03480	0.7
71.61194	0.5
81.03461	12.9
83.01397	2.7
83.05036	1.5
85.02924	0.4
93.03461	0.4
93.50499	0.3
95.01382	0.5
95.05020	1.1
96.95999	0.5
97.06575	1.4
107.01391	1.1
107.44924	0.4
108.02177	0.7
109.06587	0.8
121.02953	0.7
122.03748	6.1
123.04521	0.9
125.02457	10.2
126.02797	0.3
136.05307	1.0
147.00854	0.4
149.02420	0.4
151.00380	2.4
155.10771	1.1
162.03168	0.4
163.78532	0.3
164.98248	0.7
168.04301	0.5
169.12405	0.6
171.13937	1.4
173.11877	0.5
193.01300	0.4
193.12331	1.3
195.13895	3.6
197.11823	3.1
203.28624	0.3
207.13911	0.4
209.15599	0.5
218.99232	0.5
219.13885	1.4
221.08240	0.6
235.13268	0.4
237.14970	18.6
238.15259	1.1
263.12836	1.3
264.72775	0.4
265.65503	0.4
281.13950	100.0
281.24811	1.5
282.14301	7.3
282.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81155	0.3
51.81427	0.3
56.92824	0.3
59.01386	1.8
65.31461	0.3
69.03437	0.3
69.09550	0.3
69.42666	0.7
69.43081	1.9
73.02951	0.3
79.95721	2.4
85.06587	0.8
92.99815	0.4
95.95219	0.4
96.96013	100.0
97.06562	0.3
97.96029	0.3
98.19913	0.5
99.08139	0.3
101.02465	0.4
102.07114	0.3
113.02457	0.4
121.03009	0.5
137.02551	0.5
147.00836	0.4
149.35257	0.3
155.13211	0.5
155.14430	7.8
183.13866	0.5
192.99641	0.4
201.14961	49.1
202.05063	0.5
202.15327	2.5
218.99272	0.7
254.27751	0.4
281.10638	97.2
281.24899	1.3
282.10980	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
57.03445	6.5
58.00580	3.4
59.01382	97.7
60.01724	1.9
69.88074	5.4
69.88469	3.1
71.01385	100.0
72.99315	4.7
73.02953	22.5
74.29012	1.8
74.99107	2.2
79.15870	2.0
83.01401	10.4
85.02956	39.1
87.00877	9.1
87.04510	3.8
89.02454	55.5
95.01396	7.2
96.96021	22.8
97.02952	2.9
98.19910	2.0
99.00889	10.0
101.02448	83.6
103.04019	2.3
113.02456	45.5
119.03502	19.6
119.07160	14.6
125.02446	3.4
129.01962	3.0
131.03513	1.9
133.01563	7.4
136.99136	2.6
143.03511	6.3
150.04199	16.5
159.02980	7.4
161.04579	46.1
164.75375	2.0
168.01544	1.8
179.05598	4.7
190.02200	1.7
281.03558	3.2
281.06509	1.7
281.09030	2.6
281.12381	44.5
281.24844	2.6
282.08463	3.7
282.12891	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	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01725	0.9
70.15938	2.0
71.01384	3.2
79.95752	0.7
80.15285	0.8
80.54275	0.7
85.02978	2.5
87.00925	0.7
89.02467	1.1
96.96013	20.1
98.19910	1.0
98.95609	0.8
99.00901	0.9
100.43850	0.6
101.02470	1.5
103.02850	0.6
109.02978	0.9
113.02484	2.4
121.06514	0.6
125.02524	0.9
136.04153	0.6
136.68251	0.7
137.02513	1.4
147.04491	0.7
149.06096	0.8
151.04089	0.8
161.04555	0.9
175.04037	0.9
191.03500	12.4
193.05069	5.5
201.07690	1.3
201.11392	2.2
219.03098	2.5
221.10384	3.1
237.04050	15.0
238.04425	1.0
281.03333	7.3
281.07071	5.6
281.11536	1.1
281.24951	1.8
282.03510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55392	0.3
57.03445	0.5
59.01380	2.8
63.30681	0.2
67.98155	0.3
69.57002	1.8
70.99606	0.3
71.01367	0.4
73.02943	0.6
79.95719	2.2
83.05054	0.5
85.02963	0.4
87.04517	1.8
96.96015	100.0
98.95609	1.0
113.06104	0.8
121.10226	0.3
124.76584	0.3
139.11322	0.5
155.10782	1.2
159.97716	0.3
163.03999	0.3
183.10344	0.5
201.11327	5.8
201.13167	0.3
219.06969	2.4
221.04892	0.9
237.08035	2.0
281.07013	47.9
281.24768	0.4
282.07327	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	281.0881
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
54.51068	0.8
55.01878	2.3
57.03454	13.1
59.01384	17.3
67.01869	1.3
67.37436	0.9
68.99848	1.4
69.03455	2.5
69.48391	7.3
69.70498	1.0
71.01389	66.4
72.01704	1.3
72.99291	1.7
73.02955	2.1
78.95905	2.8
83.01382	3.7
84.02155	2.3
85.02956	76.4
86.03281	1.0
87.00886	27.7
89.02443	3.0
95.01382	9.4
96.96026	10.1
99.04508	1.0
101.02441	3.1
102.05603	1.4
103.00389	6.2
103.03997	1.9
104.30564	0.9
111.00882	4.3
112.01640	3.3
113.02457	100.0
114.02778	3.2
127.03993	2.1
129.01968	6.0
131.03490	4.0
139.00401	3.0
146.04588	3.6
157.01427	2.0
158.31416	1.2
189.04106	1.5
205.07188	10.0
206.07530	1.2
249.06215	5.4
281.08780	88.7
282.09042	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36764	0.2
55.01877	1.2
55.33036	0.2
55.83463	0.2
57.03442	0.4
57.38219	0.2
71.04993	0.3
73.02932	0.4
79.01897	3.4
81.03463	0.5
85.06597	4.6
91.05525	1.0
93.03487	0.6
95.05009	0.5
96.20091	0.2
96.96027	0.6
97.02953	1.7
97.98736	0.2
98.19887	0.5
107.05045	0.9
109.06596	8.0
111.04530	7.0
125.09756	0.4
128.76195	0.2
135.04533	4.4
136.05176	0.4
141.12856	0.4
143.10770	0.6
148.05313	0.4
149.06076	0.4
150.06870	0.4
151.04002	0.9
152.04782	0.3
153.05580	25.6
154.05905	1.2
155.14464	0.3
162.06866	0.8
163.00354	0.4
167.10789	3.6
179.03487	2.9
179.14427	6.0
180.04190	0.3
180.14801	0.3
183.82004	0.2
193.15993	0.6
206.25627	0.2
217.15913	0.4
233.15436	1.5
235.17039	21.6
235.75510	0.2
236.17357	1.9
238.75270	0.2
261.14951	1.4
264.26117	0.2
268.93774	0.3
277.14542	0.8
279.16019	100.0
280.16370	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01381	1.3
63.02429	0.2
65.00323	1.5
67.01901	0.3
67.10238	0.2
69.33923	0.8
69.34357	1.1
71.05022	0.3
80.02704	0.3
81.03464	19.6
82.03763	0.3
83.01394	1.9
83.05026	0.2
83.93793	0.2
89.22254	0.2
89.91322	0.2
93.03488	0.3
95.05045	1.7
96.96032	0.5
97.02982	0.3
107.01392	1.6
121.02972	0.5
122.03760	3.0
125.02464	6.8
130.33638	0.2
135.04572	0.3
139.04039	1.1
151.00389	2.0
153.02956	0.2
153.12920	0.2
162.03214	0.4
169.15993	0.9
171.13954	1.1
179.79984	0.2
181.12299	0.5
193.15979	7.1
194.16295	0.3
195.13913	9.0
196.14297	0.5
211.17015	0.3
217.15860	0.3
235.17036	52.5
236.17383	3.7
237.14890	0.3
261.14938	1.2
279.16025	100.0
280.16348	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1031
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
57.03465	0.6
59.01383	100.0
60.01717	0.9
64.20428	0.7
65.00339	1.4
67.88322	0.6
69.03466	1.0
69.81719	2.9
85.02966	0.7
92.99811	0.9
96.99349	1.0
97.02962	0.9
98.20539	0.9
109.02925	0.9
117.03465	2.0
121.02954	1.2
121.06615	1.3
123.00874	0.7
124.01652	9.0
137.02437	2.0
138.03279	1.3
139.04033	4.6
145.06558	0.7
147.00978	0.8
147.04575	0.8
148.05223	0.9
150.03223	2.2
151.04008	2.8
152.01146	12.2
153.05582	1.0
161.02452	16.0
161.04552	0.8
161.06122	1.8
163.00414	1.3
164.98329	1.1
165.01923	1.9
165.05634	1.7
166.02696	2.9
175.04010	2.4
176.04787	1.7
177.01949	5.2
177.05522	1.5
178.02614	1.6
178.06244	1.4
179.03540	2.8
189.05568	1.4
191.07126	1.0
193.05052	4.4
194.05669	0.7
200.54167	0.6
205.05121	0.8
206.05843	26.0
207.06349	2.1
221.08199	89.1
222.08545	5.1
223.06013	0.6
236.98582	0.7
237.15094	0.9
247.91032	0.7
266.08078	1.7
266.11530	1.0
281.10339	65.1
281.13840	10.8
281.24780	3.4
282.10687	3.6
282.13693	0.6
299.15680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1241
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
54.34133	0.5
56.97948	0.5
57.03448	3.4
59.01381	1.9
60.63423	0.5
61.15461	0.5
65.00333	2.0
66.83938	0.4
68.99843	0.6
69.01841	0.5
69.03477	0.7
71.01378	1.3
71.60594	0.6
79.01904	0.5
81.03465	20.7
83.01402	2.2
83.05033	4.0
91.01900	1.3
93.03503	0.7
95.05038	1.4
96.96037	0.8
97.06600	2.0
111.08131	0.5
119.01429	1.0
121.02975	0.8
122.03765	1.9
125.02463	15.4
125.09749	0.8
126.02808	0.7
135.00861	1.0
139.04022	0.7
147.00876	0.6
149.09735	0.6
151.00388	2.3
151.11296	6.9
153.05626	0.7
153.09224	2.5
162.03261	0.5
163.00366	2.0
167.97774	0.6
169.12383	0.9
171.10313	0.8
175.11343	0.8
177.09163	0.9
190.99879	0.7
193.12399	2.8
195.10303	2.3
209.09505	0.5
234.98938	0.8
235.13409	24.6
236.13782	1.6
260.96777	1.0
261.11356	1.2
279.12405	100.0
279.15665	3.5
279.23303	2.6
280.12720	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01377	1.1
61.54466	0.8
69.69155	4.7
261.21951	1.1
279.23297	100.0
280.23605	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92754	0.4
53.35308	0.4
59.01386	2.0
59.83795	0.4
63.25079	0.4
69.48082	1.4
69.48499	1.5
70.76535	0.3
71.05038	0.6
72.99309	1.9
74.99094	0.5
79.95739	3.1
80.96500	0.6
83.05003	0.6
85.02959	1.3
87.00878	1.4
95.95235	0.6
96.96014	96.3
98.95616	1.3
111.04507	0.7
121.50513	0.4
121.95161	0.4
125.09699	1.7
125.44530	0.5
155.10780	1.2
157.84210	0.4
165.09251	0.5
168.19960	0.4
183.10277	3.4
192.99753	0.4
193.05222	0.5
195.03279	0.5
201.11325	72.7
202.11665	4.1
219.06895	0.5
237.08015	2.0
253.07570	2.9
263.05862	1.3
281.07001	100.0
281.24878	0.8
282.07321	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03449	0.7
58.00575	1.5
58.43003	0.5
58.83805	0.5
59.01382	47.7
60.01709	0.5
65.17768	0.4
68.85795	0.5
70.35000	1.2
70.35394	1.0
71.01385	23.3
71.05029	5.8
72.99311	2.3
73.02938	1.3
78.95197	0.5
80.96514	0.5
83.01379	1.7
85.02960	5.2
87.00861	1.5
89.02450	27.6
91.71991	0.4
95.01385	2.1
96.96019	5.2
98.20583	0.5
99.00898	0.6
99.04525	22.6
101.02457	16.4
102.59863	0.5
105.01961	0.9
109.02899	0.5
110.59863	0.5
113.02456	10.1
115.92152	0.8
117.05585	30.9
118.05916	1.0
119.03501	11.1
120.99641	1.3
131.07172	0.5
143.03539	1.2
149.04562	0.6
157.01454	0.5
159.06627	1.5
161.04611	1.1
179.05565	2.4
191.03572	0.5
279.10855	100.0
280.11215	6.3
300.99585	0.6
302.00076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01865	1.3
57.03432	0.8
58.00583	2.1
59.01383	48.7
66.68724	0.6
69.72052	1.7
69.72493	2.0
71.01388	24.4
71.05032	6.3
72.99287	1.4
73.02969	0.9
78.40192	0.6
83.01391	1.2
85.02966	4.6
87.00879	1.0
89.02450	26.3
95.01402	2.4
96.96011	1.5
99.04522	22.4
101.02452	17.1
101.06081	0.9
113.02464	10.1
117.05587	37.6
119.03510	10.3
131.03506	0.6
131.07140	0.9
137.98169	0.6
143.03448	0.8
159.06622	1.6
161.04565	1.0
179.05545	1.7
238.20779	0.6
273.43646	0.7
279.10858	100.0
280.11139	4.5
288.28357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18279	0.5
59.01382	8.0
69.68160	1.1
69.68567	2.0
71.01380	0.9
72.99305	1.1
79.95734	2.3
80.96520	0.9
84.99311	0.8
85.02929	0.4
87.00885	8.0
87.04510	0.6
87.59399	0.6
96.96013	23.6
98.20602	0.9
99.04534	0.8
101.02445	0.8
103.00360	5.0
103.05547	0.8
110.33765	0.5
112.98814	7.6
117.05571	0.9
119.05030	1.5
128.99498	0.4
130.99876	1.0
140.83862	0.5
142.26572	0.4
144.01151	0.5
147.04526	100.0
148.04849	3.2
154.14467	0.5
205.08701	0.6
235.06401	1.3
249.07860	0.6
279.05383	8.3
279.09058	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	279.0546
Annotation	sulfameter
Peak:m/z	Relative Intensity
50.28342	0.4
52.22317	0.4
57.03458	0.5
58.00595	1.6
59.01374	1.9
61.66187	0.4
69.03458	1.4
69.84506	2.0
71.01382	1.8
71.05013	1.0
72.99318	2.3
73.02943	0.6
79.95738	9.0
80.36145	0.4
80.96522	1.7
81.03443	1.3
85.02953	12.4
95.04967	0.5
95.95229	0.8
96.96014	100.0
97.95925	0.7
101.02450	0.7
101.06068	0.5
107.08670	1.3
110.41991	0.5
112.48516	0.4
113.02480	0.4
113.06107	2.0
119.08673	1.8
120.99660	1.2
123.08150	0.8
137.09724	2.3
138.97076	0.6
145.07712	1.6
147.04553	0.6
157.08743	0.6
169.08777	0.5
181.08698	1.9
199.09756	38.1
200.10071	1.6
203.39362	0.4
217.05338	0.7
219.03009	0.9
234.05168	0.4
235.06480	2.5
249.07715	0.6
261.04379	1.2
279.05441	73.0
280.05756	3.9
300.99808	1.7
302.00186	1.1
303.00586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24149	0.2
56.56849	0.2
57.03460	0.3
57.84870	0.2
69.92853	1.2
71.05025	0.3
79.95728	2.2
83.28133	0.2
85.01986	0.2
91.01884	0.4
95.95233	1.9
96.96014	100.0
97.95960	0.4
98.95590	1.5
98.96258	0.3
98.96362	0.2
116.78264	0.2
139.11313	0.3
153.12854	0.3
163.00414	0.3
199.13397	9.8
200.13731	0.6
205.41570	0.2
235.10072	0.7
255.16565	0.2
279.09088	59.4
280.09406	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.71086	0.3
59.01371	1.2
61.23176	0.3
69.48579	0.3
71.01362	0.4
89.00330	0.5
98.20635	0.7
115.15079	0.3
118.04454	0.3
138.30797	0.3
138.94547	0.3
176.02679	0.4
199.15649	0.3
229.23415	0.5
233.22789	0.5
259.20752	0.7
275.20258	0.6
277.21722	100.0
278.22067	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	277.1664
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01168	0.6
59.01488	2.5
60.69151	0.3
60.97592	0.6
65.00430	0.5
89.00484	1.9
92.99921	0.8
103.02309	0.6
116.99894	0.4
121.03305	4.1
146.99567	0.8
147.08484	5.3
147.13087	0.3
149.01059	1.1
160.98924	1.5
165.00461	11.0
165.01775	0.7
166.00545	0.4
181.00017	1.2
183.01556	0.5
188.98312	0.5
189.04181	1.2
191.05659	10.0
191.07294	0.7
202.18938	0.4
204.97841	1.1
205.07289	1.4
205.15959	0.9
207.05138	0.6
217.07195	0.8
231.08806	1.5
232.97237	0.8
233.10356	100.0
234.10497	8.1
258.98810	0.3
259.15439	0.8
276.96204	1.5
276.99487	0.6
277.16544	84.8
277.21606	6.1
278.16724	8.9
278.21661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82737	0.3
57.03451	1.5
59.01382	5.9
60.01694	0.3
63.02390	0.4
65.00329	4.9
66.19961	0.4
67.37585	0.3
71.01400	0.5
78.10600	0.3
79.41596	0.4
81.03461	21.4
82.03811	0.6
83.01389	4.2
89.00330	2.0
92.99843	1.1
95.01391	1.2
107.01398	5.8
107.05033	0.8
111.00902	0.5
116.99825	0.8
119.05082	0.4
121.02956	1.0
122.03768	0.8
124.01706	1.9
125.02470	8.1
133.02977	0.6
134.03726	0.8
137.02405	0.5
148.05339	0.6
149.02417	0.4
149.06114	0.5
149.13486	0.4
151.00374	11.5
151.11282	1.2
152.01163	1.0
157.23979	0.3
160.98863	1.8
161.02513	0.5
167.14409	1.1
175.07613	1.0
188.04834	1.5
188.98409	0.4
191.14407	3.3
193.12332	4.3
204.97791	2.0
205.01485	0.6
205.15996	1.5
218.13237	0.6
232.97250	1.5
233.00926	1.4
233.15469	26.9
233.19211	1.2
234.15796	1.7
235.13361	0.5
248.96924	0.5
258.98871	0.4
259.13452	1.3
276.96350	1.3
277.00006	1.1
277.14481	100.0
277.18021	13.8
277.21732	15.0
278.14792	7.9
278.18063	0.6
278.21835	0.7
288.72620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	1.6
59.01379	1.7
69.70503	2.0
69.70914	2.3
71.01373	1.7
78.95908	46.3
83.05038	1.3
84.04539	1.2
85.02966	0.7
87.00902	0.7
92.05064	1.5
96.96065	8.1
96.96968	100.0
98.20599	1.4
113.02347	0.7
120.99647	1.2
122.18245	0.6
125.06100	2.3
128.03539	5.2
135.04526	7.2
137.02448	0.9
144.04581	2.0
145.03270	0.9
145.05069	2.8
145.08694	1.6
148.04071	4.2
153.05527	1.3
179.03542	0.9
189.02164	0.9
197.04558	1.2
215.00203	2.7
215.08269	1.7
216.90787	1.1
233.01099	1.0
247.23114	0.7
277.00180	4.0
277.03891	2.1
277.07932	2.0
277.21777	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	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15931	0.7
56.38865	0.6
57.01762	0.7
59.01377	0.9
64.95470	0.7
71.59135	1.0
78.14724	0.7
78.95907	47.2
89.02434	0.8
96.96970	100.0
125.61311	0.7
275.34509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0753
Annotation	Sulfamethazine
Peak:m/z	Relative Intensity
54.46002	0.2
57.03449	0.3
61.34090	0.2
69.56188	1.4
69.56592	0.4
79.95722	1.8
80.58979	0.2
89.00343	0.6
96.96017	100.0
103.74030	0.2
124.33482	0.2
125.44691	0.3
160.98862	0.3
167.23882	0.3
194.51358	0.2
197.11853	1.2
204.97852	0.3
226.53899	0.2
233.08481	0.6
242.05757	0.2
259.06491	0.4
277.07516	32.7
277.21677	0.4
278.07874	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	277.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
65.00326	0.7
67.93950	0.3
69.94997	1.4
71.01379	0.8
77.00287	0.3
79.95739	4.2
89.00345	2.6
92.99831	0.8
95.01414	0.4
95.95232	0.9
96.96016	100.0
113.02343	0.3
116.99819	0.9
121.02980	0.5
125.02508	0.3
133.03030	0.4
146.08215	0.7
152.98230	0.3
160.98788	2.5
161.02402	0.7
177.01942	0.3
177.87080	0.3
188.98337	1.3
197.11833	1.0
199.64076	0.3
204.97736	1.1
205.01474	0.6
206.99467	0.5
232.97252	1.2
233.00850	0.7
233.08487	0.4
233.11874	0.3
276.96359	1.6
276.99899	1.4
277.07526	28.9
277.21750	0.9
278.07703	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	276.9183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37813	0.5
59.01366	0.8
66.03477	0.7
69.32125	4.8
71.01384	1.4
72.99319	0.7
77.02305	0.5
78.32790	0.5
78.95911	15.7
79.95760	0.7
85.02956	0.5
92.05066	32.5
94.02959	0.8
96.96020	17.2
96.96959	5.0
100.04035	1.5
134.96094	1.2
136.04050	7.2
136.94017	100.0
137.94086	6.5
140.07172	2.0
164.95360	0.6
178.95013	6.8
179.01183	0.7
179.95313	0.6
189.04126	0.5
195.05084	1.0
198.90494	1.9
216.89920	61.3
217.89838	4.4
218.93079	0.7
233.12933	11.5
234.90625	22.1
235.91103	1.8
247.87283	0.6
251.13995	3.6
258.91635	6.3
259.91681	0.7
276.91702	1.2
276.98877	11.2
277.11905	2.4
294.85120	0.7
294.94736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81239	0.4
70.45242	0.4
71.01388	1.9
71.59531	0.9
78.95922	7.6
79.95753	0.6
84.89153	0.5
92.05072	51.1
93.05418	1.3
94.03026	1.4
96.96024	10.9
96.96998	1.5
100.04066	2.8
134.96133	0.8
134.97067	4.1
136.03279	0.2
136.04057	11.4
136.94028	100.0
137.94086	8.0
140.07170	2.8
176.98109	1.4
178.95105	1.9
216.89705	80.7
217.89792	7.6
233.12975	14.9
234.90768	24.0
235.67487	0.5
235.90860	1.9
251.14052	5.0
276.88968	0.6
276.91837	1.6
276.98657	6.8
277.11987	3.0
277.21658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
57.03452	2.0
57.28330	0.4
59.01379	3.4
63.50698	0.3
65.00329	3.2
67.01913	0.3
69.88188	1.7
81.03460	19.0
82.03801	0.5
83.01399	3.0
89.00351	1.0
92.99847	0.4
93.03472	0.4
95.01392	0.7
95.05044	1.0
98.20699	0.7
107.01385	3.0
107.05038	0.4
121.03017	0.4
122.03779	2.6
123.04546	0.8
124.01662	1.1
125.01593	0.3
125.02445	7.0
136.05264	0.4
139.03999	0.6
151.00375	7.3
151.01543	0.5
151.11279	1.0
152.01155	0.4
159.04515	0.3
160.98816	1.0
163.04173	0.4
166.02740	1.7
167.14436	0.8
169.12314	0.4
175.07835	0.5
188.04794	0.6
189.12901	0.5
191.14410	3.1
193.12326	6.0
200.05544	0.3
204.97786	0.4
205.15991	1.2
232.97336	0.5
233.00822	0.4
233.15471	35.5
234.15828	2.0
235.13416	0.4
259.13388	1.4
276.96423	0.9
277.14468	100.0
277.17917	7.6
277.21573	2.8
278.14777	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11016	0.8
52.85443	0.7
59.01377	2.8
69.59561	3.6
69.59966	1.7
72.29017	0.8
81.56756	0.8
84.90150	0.9
101.57048	0.7
131.41170	0.8
177.16492	2.1
185.38351	0.7
225.13928	0.9
231.21165	7.2
275.20154	100.0
276.20502	6.9
286.90140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19851	0.7
59.01381	5.0
59.01625	0.8
69.54639	5.0
71.01369	0.9
72.95786	0.6
79.92288	0.7
84.59306	0.6
96.34887	0.6
177.16492	2.5
212.51985	0.6
231.21194	9.8
257.19244	1.1
274.98376	0.9
275.20160	100.0
276.20474	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
71.60705	0.6
72.86100	0.7
73.02164	0.6
77.97439	0.6
114.06141	0.7
115.91743	0.6
142.91547	0.7
177.16464	1.9
231.21193	6.6
275.20151	100.0
276.20502	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	275.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76449	0.6
64.08481	0.5
79.95742	41.0
80.22363	0.5
80.96539	3.9
96.96016	27.0
103.05517	0.7
119.05018	1.0
121.02973	14.8
125.02397	0.5
127.05120	1.1
135.04494	2.8
145.02969	2.1
145.64339	0.7
147.04543	3.5
157.02954	1.1
158.03802	0.7
159.04532	1.3
163.04025	2.3
173.02415	3.7
174.03107	0.9
175.04074	3.1
176.01183	0.6
177.08087	0.6
180.07932	83.3
181.08287	4.0
185.02446	2.6
190.02776	1.2
191.03519	3.7
193.05055	1.1
195.10269	42.2
196.10626	2.2
201.01933	9.0
202.02641	0.7
203.03516	8.5
205.01471	0.6
213.01962	1.2
217.01518	0.7
219.02985	3.2
228.99130	0.9
229.01413	18.9
230.01936	2.0
231.03065	2.3
247.02495	1.7
257.00925	20.2
258.01639	10.0
274.01270	1.2
275.02002	100.0
275.05945	79.9
276.02365	7.6
276.06186	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	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36940	0.4
50.50166	0.4
51.77215	0.4
56.13702	0.5
56.87927	0.4
71.61594	0.7
81.03450	1.5
83.01398	3.7
83.04999	0.6
84.02158	2.6
93.16869	0.4
96.96021	0.7
97.02931	0.7
97.06605	0.6
100.39584	0.5
125.09731	5.2
127.11279	1.6
129.74237	0.4
135.08148	0.8
142.35783	0.5
161.02457	0.5
163.11287	1.0
165.12834	1.0
171.10281	4.7
173.02455	1.4
177.79260	0.4
181.12343	0.5
182.65459	0.4
183.92545	0.5
191.10771	2.9
193.05078	4.7
194.05287	0.6
207.10214	0.6
209.11815	4.2
223.13486	1.3
226.12112	1.2
239.12773	0.8
241.14444	2.5
243.16092	1.6
245.00970	2.0
246.83734	0.5
273.00458	2.9
273.17099	100.0
274.17447	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	275.0199
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
51.77973	0.2
53.12040	0.2
55.97537	0.2
59.49307	0.2
62.49418	0.2
69.63102	0.2
69.63461	1.5
79.95741	7.4
80.96514	0.7
86.38887	0.2
86.78800	0.2
96.96017	9.0
101.03975	0.2
117.03455	0.5
119.05036	0.9
121.02956	2.4
123.00832	0.2
129.03448	0.6
131.04994	0.3
133.02953	0.4
135.04565	0.6
139.07637	0.9
141.03511	0.6
145.02966	2.1
147.04538	2.8
153.62589	0.3
157.02953	1.8
158.03616	0.4
159.04517	1.0
161.02481	0.4
163.04047	2.2
173.02448	3.6
174.03088	0.7
175.04031	3.0
176.01172	0.3
180.07924	14.0
181.08290	0.6
185.02461	2.6
186.03139	0.4
187.04010	0.5
189.01906	0.7
190.02730	1.1
191.03528	4.0
193.05086	0.8
195.10274	5.6
201.01942	7.4
202.02594	1.0
203.03500	7.3
204.03828	0.3
205.01352	0.5
212.01173	0.5
213.01973	0.9
214.02811	0.3
216.00635	0.3
217.01410	0.5
218.02109	0.5
219.03033	3.0
228.00572	0.4
229.01416	21.4
230.01932	1.2
231.02979	2.2
241.01274	0.4
245.00845	0.5
247.02507	1.6
257.00925	19.4
258.01636	9.8
259.02090	0.5
274.01239	1.0
275.01993	100.0
275.05893	20.3
276.02316	5.5
276.06223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1134
Annotation	(Z)-O-Methylsuberenol
Peak:m/z	Relative Intensity
57.03450	2.3
59.01397	0.3
63.02382	0.4
63.10426	0.3
65.00328	3.8
65.04021	0.3
66.89805	0.3
67.01896	0.9
69.68919	1.7
77.60996	0.3
78.69105	0.2
80.02660	0.5
81.03463	10.3
82.03820	0.3
82.22997	0.3
83.01396	4.3
83.05024	0.6
95.01393	1.0
95.05034	3.1
97.02971	1.4
98.19963	0.5
107.01398	4.9
107.05030	0.4
108.02157	0.5
109.02971	0.5
109.06557	0.5
111.00888	0.7
119.08674	0.3
121.10294	0.5
122.03747	1.6
123.00889	0.6
123.04549	4.4
124.01652	1.8
125.02454	8.1
131.05017	0.6
135.04530	1.0
137.02454	0.8
137.06099	2.7
138.03239	1.8
139.00395	0.4
145.06572	0.5
145.10262	0.5
147.08165	0.5
148.05325	0.4
149.02454	0.7
150.03123	0.4
151.00380	20.9
152.01039	0.8
160.32501	0.3
161.06078	0.5
163.03847	0.3
163.11290	0.5
165.01935	1.2
166.02716	18.6
167.03510	1.6
169.10213	0.6
170.02187	0.5
171.08168	1.1
173.06093	0.9
177.01912	1.7
179.03488	1.2
185.09720	1.3
187.07645	0.5
187.11253	3.7
189.09114	1.7
192.04318	1.5
193.05054	0.9
198.01712	0.5
211.11298	0.6
213.09322	0.5
227.10750	0.8
229.12326	14.1
230.12740	0.8
255.10320	3.0
273.11325	100.0
274.11639	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	271.1917
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
51.80707	0.4
57.03455	0.5
59.01393	0.6
66.20397	0.4
67.28804	0.5
83.05048	0.7
84.52613	0.5
95.01389	0.7
98.19899	1.0
140.49139	0.5
142.92973	0.5
171.38673	0.4
192.04295	1.0
207.17644	1.1
209.19118	57.4
210.19476	3.4
215.49200	0.5
221.78517	0.4
227.20207	2.0
253.18097	45.0
254.18474	2.0
269.20996	0.5
271.19171	100.0
272.19498	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03437	0.6
59.01377	0.5
68.63666	0.3
71.60468	0.4
79.53381	0.3
93.09042	0.3
95.01416	0.4
102.32887	0.3
107.59947	0.3
108.02188	0.4
116.50018	0.4
133.02917	0.5
176.44058	0.3
192.04250	0.5
225.22252	3.9
253.21722	1.6
269.21301	1.0
271.06018	0.8
271.22787	100.0
272.23138	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	273.0077
Annotation	Ferulic acid 4-sulfate
Peak:m/z	Relative Intensity
53.45760	0.3
55.78639	0.3
64.32664	0.3
69.54686	1.3
69.55096	0.9
70.49667	0.3
81.00414	0.3
87.00761	0.3
96.96014	0.6
98.19897	0.6
109.69583	0.3
110.97584	1.2
121.02951	0.8
133.02982	4.3
134.03749	7.6
137.02446	5.8
139.04065	1.5
139.87186	0.3
150.03252	0.6
155.57941	0.3
161.02457	12.5
178.02734	1.5
193.05063	100.0
194.05383	4.0
204.26613	0.3
273.00751	12.3
274.01035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45174	1.6
79.95747	0.7
80.09907	0.2
81.74776	0.2
93.03458	0.4
96.97691	0.2
106.04266	0.2
110.97593	1.3
121.02976	1.0
133.02966	5.0
134.03786	6.4
137.02455	5.7
138.02803	0.3
139.04050	1.8
150.03253	0.7
161.02455	10.4
178.02747	2.0
183.21289	0.2
183.23067	0.3
189.01974	0.2
192.04289	1.0
193.05066	100.0
194.05414	4.7
201.42204	0.2
217.01341	0.2
244.03780	0.2
254.89571	0.2
273.00754	14.4
274.01050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0076
Annotation	Ferulic acid 4-sulfate
Peak:m/z	Relative Intensity
53.80686	0.3
56.84349	0.2
69.67188	1.8
79.95750	1.0
95.30615	0.3
105.03514	0.3
110.97579	1.1
121.02972	1.0
133.02956	4.3
134.03780	5.5
135.04152	0.4
137.02451	4.7
139.04036	1.7
150.03291	0.4
161.02461	9.5
162.02788	0.4
178.02753	2.1
192.04370	0.7
193.05069	100.0
194.05412	5.2
215.20441	0.3
273.00754	13.2
274.01080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78764	0.2
56.81924	0.2
57.03455	2.3
59.01384	0.7
61.65189	0.2
62.20264	0.2
63.02400	0.3
64.93439	0.2
65.00325	3.3
68.99821	0.5
69.64142	0.4
69.64552	1.0
70.37341	0.2
73.11304	0.2
79.05544	0.3
81.03462	27.3
82.03801	0.8
83.01389	8.7
87.00689	0.2
89.13285	0.2
93.03465	9.8
94.03846	0.3
95.01415	0.8
95.05020	1.2
96.96024	0.8
99.04518	0.8
107.01405	2.9
107.05070	0.2
111.04568	0.4
119.05036	20.9
120.05388	0.9
123.04534	46.8
124.04869	1.6
125.02454	13.5
126.02837	0.2
135.04523	1.4
137.02444	0.5
140.27390	0.2
140.87143	0.2
145.06549	0.2
147.04509	0.6
149.02443	1.2
151.00372	6.2
151.04051	0.2
161.06102	0.3
163.07693	0.3
166.02705	0.8
167.03505	100.0
168.03835	4.2
169.06616	0.7
171.04491	0.7
179.03508	9.0
185.06052	0.3
187.07663	0.8
189.05591	4.3
193.05064	2.2
211.07535	1.0
229.08705	1.5
255.06587	1.0
273.07703	61.4
274.08051	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	273.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13184	0.7
58.00592	1.1
59.01385	26.1
69.55235	4.0
72.99305	3.3
80.96531	0.5
84.99323	1.8
87.00883	20.7
96.96027	2.4
98.95673	0.6
103.00380	16.9
112.98824	30.6
113.99130	0.7
119.29234	0.5
122.46022	0.5
129.01576	0.6
130.99876	2.7
133.02950	0.9
134.03758	0.8
137.02473	1.1
141.09236	100.0
142.09555	3.3
149.00938	1.8
161.02475	2.1
193.03322	1.3
193.05086	22.4
194.05458	0.9
223.70557	0.6
273.00595	4.4
273.05069	0.5
273.09949	5.8
273.12534	1.2
274.01154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.7
61.40508	0.5
68.19669	0.5
69.03462	4.0
69.84934	2.6
69.85318	1.0
70.84502	0.5
78.95918	1.1
79.95764	1.2
85.02956	13.9
87.04526	3.0
90.91645	0.6
96.96018	100.0
98.20512	1.0
102.15325	0.6
108.02232	0.9
110.02506	0.5
111.04539	1.0
121.25848	0.5
130.08768	0.7
142.99796	0.6
169.01407	0.8
173.08142	0.8
174.99254	2.7
191.09264	13.3
209.04883	5.8
211.02556	0.7
271.04935	66.1
272.05243	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.9
69.03461	5.0
70.71918	0.7
70.72263	1.1
74.32900	0.4
75.00875	0.5
78.95901	1.1
79.95753	1.1
80.10674	0.5
85.02956	18.3
87.04520	4.2
96.96016	100.0
111.04521	0.7
142.99866	1.1
155.07094	0.7
158.22031	0.5
169.01503	0.7
173.08247	0.6
191.05617	1.6
191.09262	19.5
192.09520	0.7
209.04889	6.0
211.02702	1.0
227.00002	0.4
238.30093	0.6
271.04929	72.5
272.05267	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.93692	0.4
59.01382	1.0
63.02404	9.7
65.00330	19.2
69.31447	3.7
69.31858	0.8
79.95737	1.3
83.01396	12.2
83.44135	0.4
84.54499	0.5
93.03466	14.7
93.34027	0.4
95.01363	0.5
96.96024	0.8
98.20598	0.7
107.01400	27.8
108.02203	0.6
109.02949	0.6
111.00891	1.0
119.05035	79.8
120.05385	2.7
121.02922	0.9
123.00885	0.5
124.01687	0.7
125.02466	4.4
130.04172	0.4
133.02950	1.0
137.02458	0.7
139.00395	0.5
140.01140	0.9
143.05009	0.5
145.02986	1.7
151.00380	76.1
152.00731	1.9
161.06100	1.3
165.01913	3.5
168.00687	2.9
169.01474	6.2
174.01712	1.1
177.01944	11.7
185.06146	1.4
187.04016	2.7
191.10822	1.8
192.04338	1.1
209.18231	0.5
211.02480	9.7
211.04341	0.7
227.07213	1.3
241.05089	0.9
253.05287	0.6
271.06180	100.0
271.19305	1.4
272.06497	6.3
294.21729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22612	0.4
55.01872	0.5
57.03453	0.6
57.94979	0.4
59.01381	16.1
65.00331	0.6
67.01892	0.5
68.99835	0.4
69.03452	3.2
69.26080	1.6
69.26512	2.8
71.01392	9.1
72.99299	1.5
73.02941	2.5
75.00880	0.7
78.95882	1.1
79.95753	2.8
81.03444	0.5
83.01402	1.1
85.02958	14.7
87.00850	1.0
87.04510	3.5
89.02446	0.6
95.01404	2.3
96.96018	48.6
96.97009	1.2
97.02959	0.8
98.20552	1.0
98.95566	0.6
99.00874	1.7
101.02455	4.5
105.03434	0.7
107.01424	2.1
107.05072	0.4
107.57274	0.4
108.02184	100.0
109.03023	8.7
110.00111	0.9
111.00910	3.4
111.04535	0.9
113.02463	4.1
121.02968	1.4
121.45353	0.5
123.00881	3.1
123.04523	2.0
124.01682	1.9
125.02454	20.9
127.00378	1.6
133.02963	4.7
135.04581	0.6
136.98828	2.2
139.00375	4.5
139.04005	1.3
140.01161	4.3
141.01866	0.4
149.02444	0.7
151.00378	1.2
151.03998	3.8
155.03362	0.6
157.86104	0.5
159.03020	0.5
161.04582	4.4
163.04021	1.5
165.02055	0.4
167.03490	2.2
168.00648	14.4
169.01436	24.7
170.01698	0.7
173.08183	0.8
177.01971	1.0
181.05087	0.7
191.05649	1.7
191.09267	12.0
192.04312	7.0
198.02377	0.5
209.04883	2.7
211.02486	53.3
212.02809	2.4
271.04782	70.5
271.19241	1.4
271.22763	1.3
272.05087	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	0.6
57.03446	8.5
59.01373	1.6
60.84687	0.4
64.63876	0.5
69.03448	0.8
70.33607	0.4
71.60806	0.7
79.88461	0.4
126.85823	0.4
137.09712	6.3
153.09273	0.5
155.10783	38.0
156.11115	1.5
163.11320	2.4
165.12857	9.3
181.08716	16.0
181.15993	4.3
182.09053	1.0
199.09734	1.9
207.13901	7.1
213.51381	0.4
225.14967	17.5
226.15306	0.7
241.04556	0.4
251.13004	3.2
269.00882	1.3
269.13947	100.0
269.20859	2.9
269.24893	1.8
270.14285	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	271.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99861	0.3
59.01373	2.0
69.03471	0.6
70.59876	0.7
71.01384	1.2
72.91496	0.4
72.99290	0.8
73.02928	0.4
73.98299	0.5
74.99103	8.9
78.95928	2.3
79.95732	0.7
83.01389	0.5
85.02962	8.1
87.00891	4.9
93.03481	2.3
96.96024	28.5
99.04494	0.6
101.02452	0.9
104.69553	0.4
109.02950	0.8
111.04515	1.3
115.86075	0.4
120.09231	0.3
122.95244	0.9
127.04021	1.6
128.89240	1.5
129.01936	0.5
129.05475	0.4
132.99722	0.7
138.93695	1.3
138.97142	0.5
151.00746	2.0
165.02251	0.9
171.02954	0.6
173.04581	1.7
180.95853	0.9
191.05638	100.0
192.05978	3.4
194.92612	0.9
196.95114	0.5
252.85532	0.4
252.94328	1.1
253.00279	1.6
261.44998	0.4
270.95352	1.0
271.01343	44.4
271.04837	4.7
272.01553	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	271.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
69.63898	3.2
79.95746	32.0
80.96521	6.3
93.03452	1.3
95.01395	0.4
96.96002	1.7
101.02464	0.6
106.04234	1.6
107.33941	0.5
108.02171	1.7
111.00864	0.5
125.02473	1.2
139.00314	0.5
140.01154	1.2
145.06583	3.1
146.07156	0.5
147.08160	6.8
147.63283	0.5
148.08551	0.7
151.00452	0.7
161.06068	0.7
168.00610	1.1
169.01407	1.9
171.98311	0.8
174.01631	0.7
191.03552	0.8
191.07152	4.4
192.04274	2.1
201.01788	0.6
211.02547	4.1
212.54901	0.6
215.03491	0.7
227.03821	14.2
228.04247	0.7
241.05020	0.6
243.02863	1.8
271.02768	100.0
271.19131	2.7
272.03122	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	271.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59801	0.3
55.01913	0.3
57.07135	0.3
57.51309	0.2
58.00645	0.6
59.01135	0.9
59.01455	6.4
63.02464	0.4
64.00502	0.3
65.00407	1.4
67.01971	0.9
68.99882	0.7
69.03506	0.6
71.01464	2.4
71.61477	0.4
72.99027	0.3
72.99400	1.0
79.01957	0.3
79.95807	0.4
81.03500	0.7
82.30701	0.3
83.01487	2.0
87.00954	0.4
89.02525	0.5
93.03554	1.0
95.01488	1.0
95.88651	0.3
96.96069	0.5
96.99390	0.3
97.03023	0.8
99.75771	0.3
101.02502	0.8
107.01400	5.3
109.03009	0.3
110.00134	1.4
111.00883	6.6
119.05035	6.0
121.03027	0.5
123.00897	4.8
124.01651	4.7
125.02454	31.9
126.02812	0.7
127.00377	2.4
133.03001	0.3
136.98813	4.6
137.02515	1.2
139.00385	7.2
139.04019	1.6
140.01170	9.7
141.02048	0.5
149.02432	0.4
151.00368	7.1
154.99959	0.9
163.07704	0.4
165.01950	2.0
166.99776	0.3
167.03494	3.1
168.00650	27.1
169.01434	35.4
170.01794	1.0
174.01839	0.3
177.01942	0.7
183.03011	0.8
185.06049	0.4
187.03996	0.3
191.07169	0.3
191.10811	0.9
192.04355	1.0
211.02489	100.0
212.02835	4.0
213.05510	0.4
229.57576	0.3
229.88406	0.3
241.05043	0.8
256.07190	0.9
271.04517	65.1
271.19098	1.3
271.22473	0.3
272.02335	0.3
272.04843	3.1
273.38907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0726
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01874	1.0
57.03458	4.2
58.00584	0.9
59.01387	24.8
70.92792	1.5
71.01390	32.4
72.99319	4.3
73.02941	1.1
75.00890	13.2
78.02509	0.7
78.74677	0.5
78.95924	2.5
83.01404	1.3
85.02962	29.8
86.03315	0.7
87.00887	17.7
89.02451	11.2
91.04018	1.0
95.01405	5.8
96.96014	0.7
99.00896	7.6
101.02453	2.6
103.00399	2.0
105.01948	1.6
106.08271	0.6
111.00869	0.6
112.01659	1.3
113.02466	39.6
114.02784	1.3
115.00393	0.8
117.01963	2.4
119.03555	0.8
129.01941	2.1
136.94930	1.0
146.44818	0.6
149.04457	0.6
175.02505	2.0
178.96024	1.0
205.07172	1.1
206.95605	1.1
207.05119	0.7
237.06049	0.8
249.06190	4.6
267.07245	100.0
268.07556	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0909
Annotation	moclobemide
Peak:m/z	Relative Intensity
53.30446	0.2
59.01381	3.9
65.76645	0.3
68.78754	0.3
71.01385	0.5
71.05029	0.7
71.60564	0.5
73.02930	0.3
75.10942	0.3
79.95753	1.3
81.03441	0.3
83.05040	0.4
85.02932	0.3
85.06596	1.5
87.04525	0.3
89.02473	0.5
95.05061	0.7
96.08186	0.5
96.96014	100.0
98.95586	0.9
109.06575	0.5
111.04526	0.4
113.02410	0.3
113.06104	0.3
125.06087	0.3
139.07674	0.4
141.12863	2.8
143.01881	0.3
155.10774	2.6
158.70874	0.3
167.10780	0.4
185.11827	0.3
187.13402	31.5
188.13742	1.0
205.15941	1.2
223.13515	0.6
267.09073	66.8
267.15759	5.3
268.09363	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	268.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13266	2.8
59.01387	12.2
61.88745	3.0
61.98836	100.0
67.98747	3.3
68.79604	2.9
70.95382	4.8
71.01387	4.1
96.95982	15.0
136.03468	3.9
238.37921	3.3
268.07813	4.2
268.11508	4.8
269.47156	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	269.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27984	0.3
57.03450	0.3
59.01392	2.1
69.50236	0.9
69.50665	1.1
71.01369	0.4
71.05035	0.3
73.02950	1.0
76.51962	0.3
79.95745	1.8
96.96014	100.0
97.95954	0.3
98.20695	0.5
98.95583	0.6
99.08142	0.9
113.09762	0.3
123.00907	0.3
127.07674	0.4
129.09221	0.7
143.10753	1.6
145.04808	0.3
159.10289	0.3
163.11232	0.4
171.10265	1.2
187.09813	0.8
189.11333	22.4
190.11682	1.0
207.06921	1.4
209.04840	0.7
222.85078	0.3
225.05714	0.3
225.11316	1.0
241.05075	0.3
251.05963	0.7
269.07004	71.1
269.21240	1.9
269.24805	0.9
270.07373	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.7
57.03451	6.8
58.00595	2.9
59.01384	45.5
64.87827	0.9
67.01916	1.0
69.03431	0.9
71.01388	100.0
72.99310	3.8
73.02951	34.8
75.00868	1.2
83.01391	20.3
85.02960	49.0
86.00096	1.7
86.03313	1.0
87.00887	7.3
89.02475	4.8
95.01401	7.1
96.96025	18.7
97.02978	1.8
99.00890	15.6
101.02450	75.8
108.49525	1.2
110.97584	1.9
111.00861	1.3
113.02459	37.7
121.02898	1.0
125.02455	1.9
135.04492	1.1
143.03471	3.0
159.03006	8.7
161.04555	25.5
166.06323	4.0
181.08690	2.3
184.47787	1.0
189.11305	1.3
190.93477	1.3
269.04340	2.0
269.07022	6.5
269.10391	12.0
269.21167	4.5
269.24728	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.6
61.85238	1.6
71.01385	2.1
72.99304	11.3
73.02950	1.8
78.95900	23.8
79.95749	2.3
84.60065	1.7
85.02939	1.5
87.00877	35.6
91.05537	79.8
91.06114	4.0
92.05891	2.1
96.72395	1.5
96.96018	68.5
96.96973	64.3
103.00368	17.9
108.53776	1.5
112.98804	30.3
112.99573	1.5
113.02489	2.4
130.99884	4.3
135.04526	100.0
136.04840	3.3
138.10164	1.6
149.00912	95.5
161.66716	1.7
187.09781	8.5
189.11067	1.5
205.05457	5.0
206.53072	2.0
207.03226	2.0
223.06541	3.7
237.05852	1.7
267.05267	30.1
267.07758	2.2
268.05640	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14788	1.9
55.35966	1.4
57.03437	1.7
59.01382	37.2
70.59038	3.1
70.59409	3.0
71.01385	6.2
72.99323	11.1
73.02965	2.0
78.55182	1.9
78.95910	17.3
79.95741	2.8
85.02964	3.8
85.63946	1.3
87.00882	40.0
89.02449	2.1
91.05543	54.2
92.05867	2.1
94.73695	1.5
96.96017	100.0
96.96973	41.7
101.02472	4.5
103.00390	17.3
106.62894	1.4
112.98823	22.8
113.02461	5.2
115.70348	1.4
130.99796	3.9
135.04541	92.6
136.04863	3.2
137.82280	1.6
142.47881	1.5
149.00932	93.2
151.04082	2.0
161.04605	2.1
187.09772	14.4
188.12811	1.7
205.05367	3.2
223.06479	3.8
224.77104	1.7
267.05246	49.4
268.05756	2.7
268.08585	1.7
286.05634	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	267.0722
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01875	1.7
57.03445	4.6
58.00601	1.6
59.01383	43.0
63.81693	0.8
70.71724	0.8
71.01385	49.9
72.99305	5.5
73.01173	0.8
73.02943	4.8
74.99101	1.2
75.00880	15.7
79.95753	2.0
80.96542	1.2
83.01399	2.9
83.05069	1.4
85.02438	1.9
85.02958	35.9
87.00880	24.5
89.02453	19.8
95.01393	4.9
96.96017	31.8
96.96649	0.8
97.03047	0.8
98.20690	1.3
99.00884	9.3
101.02448	15.8
103.00401	2.3
105.01967	4.3
105.05637	1.7
113.02460	40.5
115.00391	1.6
115.04041	1.7
116.05072	2.1
117.01987	2.0
119.03529	4.5
120.99667	2.0
123.56801	0.8
125.02473	3.3
125.06084	1.1
129.01945	2.2
131.03593	1.1
135.04547	1.0
136.99130	1.6
143.03517	1.0
143.07208	1.1
161.04597	4.1
169.01443	2.9
175.02502	1.3
179.03780	2.7
179.07224	1.0
187.06107	6.3
187.09738	2.1
207.05141	1.8
235.14194	0.9
237.06250	1.8
249.06219	3.3
267.01840	11.3
267.07294	100.0
267.10492	4.2
268.07690	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	265.1443
Annotation	Nardoperoxide
Peak:m/z	Relative Intensity
59.01369	0.5
63.66942	0.4
65.00324	1.6
65.64864	0.4
70.22148	1.5
71.01418	0.5
77.97623	0.4
79.95759	0.6
84.59316	0.4
91.01879	0.4
92.99793	0.4
93.03471	0.4
95.01399	4.2
96.02169	0.5
96.96024	38.6
97.02975	1.2
114.34415	0.4
121.02991	1.0
122.47855	0.4
123.00860	1.7
124.01681	18.4
125.04013	0.4
135.04524	0.7
137.02470	0.6
138.03253	1.2
139.04041	6.0
151.00369	1.5
152.01173	35.0
153.01555	1.1
165.01970	3.2
166.02728	6.7
177.01971	0.6
179.03523	9.8
180.04120	1.1
189.12820	1.2
193.05032	1.4
200.89757	0.4
207.06566	0.6
208.07413	0.7
221.08255	0.8
222.12633	0.6
250.12109	7.0
264.96432	0.5
265.14554	100.0
266.14859	5.8
282.11066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03460	1.1
59.01385	17.6
69.03472	0.5
69.55173	2.7
71.01396	7.2
71.05032	4.9
72.99306	1.3
73.02946	1.3
74.99117	0.8
75.00882	1.4
79.95767	1.8
80.96513	0.9
83.05039	3.4
85.02965	3.9
87.00874	2.5
89.02457	2.1
95.01414	0.6
96.96023	100.0
97.02946	2.4
97.06562	0.7
97.95997	0.6
99.00903	0.8
101.02445	4.8
105.05591	0.7
108.02151	0.7
109.02956	0.5
113.02461	4.0
115.04028	17.9
119.03505	0.9
120.99694	0.5
123.04518	0.7
125.02443	2.1
125.05199	0.9
125.06107	14.8
126.17738	0.4
127.04040	1.3
135.04561	1.4
136.99094	0.9
141.45131	0.5
143.07169	3.9
149.00909	0.7
151.04033	3.2
159.02975	0.5
161.04561	1.8
161.06371	0.5
169.01418	2.0
169.05089	8.2
179.03697	1.1
179.07227	0.6
187.06146	45.0
188.06548	1.0
188.09412	0.5
205.05145	1.1
207.03201	0.5
223.06273	0.5
254.90855	0.4
267.01819	88.5
267.05087	4.1
267.07452	2.8
268.02081	3.0
268.04764	0.9
277.88336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.21666	0.9
69.27574	4.8
69.28011	3.8
71.01392	1.5
73.02919	0.9
82.60379	0.8
84.94214	1.0
88.43730	0.9
96.96043	1.8
97.02948	1.1
98.20621	2.3
99.04532	1.4
111.04507	1.9
122.03746	0.8
125.06019	1.6
136.05296	1.3
138.06905	2.0
139.07639	2.4
151.07692	4.8
152.08449	3.2
161.09727	1.9
163.00333	3.7
163.07628	1.1
189.09335	1.0
190.99809	1.5
201.12907	2.7
203.10704	1.2
204.11501	5.7
205.15286	1.0
207.10222	1.3
219.13933	8.2
252.52417	0.8
262.98370	1.4
263.05124	0.9
263.12921	2.2
266.96606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1137
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
52.96517	1.1
53.53525	1.1
55.01883	6.5
57.03443	5.0
58.00591	2.8
59.01383	63.7
69.03443	1.8
71.01387	100.0
71.05002	1.9
72.99311	7.1
73.02952	26.1
75.00856	1.9
79.95751	2.6
80.96556	1.1
83.01387	13.0
83.04981	1.1
85.02956	41.1
87.00878	4.7
89.02455	29.2
93.03448	1.5
95.01393	4.8
96.96013	6.0
97.02945	2.5
99.00896	10.9
101.02451	78.1
111.00896	1.3
113.02452	38.9
119.03510	9.7
119.05016	3.9
120.99669	6.4
125.02446	2.1
129.01967	1.9
131.03467	1.5
131.07155	12.1
135.04527	3.0
143.03499	4.7
146.94557	1.0
147.04514	1.7
149.04564	1.2
149.81769	1.0
159.01859	1.2
159.02982	7.3
161.02538	1.8
161.04568	38.8
162.05014	1.5
163.04012	3.2
173.02557	1.9
175.04088	3.0
179.05666	1.2
181.05026	3.7
183.03099	1.8
191.03496	2.8
205.03528	2.4
219.03053	7.6
219.06639	1.2
219.13942	1.1
245.00983	1.2
263.00220	1.8
263.02039	3.3
263.05658	2.4
263.11288	15.4
264.12018	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	265.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37130	0.2
64.84639	0.2
69.40324	1.0
69.40747	0.6
70.92023	0.2
71.05020	0.7
73.30966	0.2
75.09946	0.2
79.28678	0.2
79.95726	1.4
96.96014	100.0
97.95950	0.2
113.06077	0.4
185.11836	1.9
206.20352	0.2
221.08553	1.1
265.07510	33.8
266.07776	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	265.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
70.05315	1.0
79.95725	1.1
96.96017	100.0
97.95921	0.3
115.04015	3.6
139.11356	0.3
167.10753	0.6
177.10074	0.2
185.10182	0.5
185.11836	8.1
186.12210	0.3
265.07516	38.2
266.07828	2.2
268.15189	0.3
280.25375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53225	0.3
64.22166	0.3
70.31852	1.0
70.32225	0.6
79.95736	3.2
88.13346	0.3
95.90210	0.3
95.95245	1.9
96.96014	100.0
98.95620	1.6
111.48399	0.3
151.00729	0.8
185.11833	1.4
233.16530	0.3
265.07510	92.1
266.07846	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	265.093
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
57.03443	3.2
58.00595	2.1
59.01384	36.0
70.93637	2.4
71.01386	18.3
72.99310	1.8
73.02978	1.1
74.98318	1.0
82.29983	0.9
83.01404	1.0
85.02957	19.4
87.00896	1.6
89.02454	19.2
95.01392	1.8
96.96016	3.8
101.02451	12.8
103.04016	35.9
104.04360	1.1
113.02451	7.6
117.05592	2.0
119.03496	7.5
145.05037	0.9
179.05695	1.1
239.65819	0.8
265.09293	100.0
266.09647	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	265.0929
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
52.00738	0.4
55.01886	0.6
57.03464	2.5
58.00579	1.5
59.01384	40.7
64.53614	0.5
69.55453	0.5
69.56071	3.0
71.01390	17.4
72.99293	0.8
73.02949	1.0
79.95747	0.7
83.01388	1.2
85.02958	21.9
87.00884	1.1
89.02449	20.0
95.01398	1.4
96.96012	9.4
97.06570	0.6
101.02449	13.0
103.04019	33.6
113.02466	7.8
115.00355	0.7
117.05562	1.5
119.03516	8.0
127.38596	0.5
129.01920	0.9
143.03508	0.8
145.05048	1.6
149.04562	0.9
149.06114	1.2
161.04517	0.6
173.00961	0.7
177.02231	0.6
177.05644	1.3
179.05704	0.9
265.03622	3.6
265.09293	100.0
266.09601	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	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
58.00604	0.6
59.01383	13.7
68.99783	0.4
70.33961	0.6
71.01385	3.4
71.05009	2.1
72.99297	2.5
73.02934	0.9
74.99099	0.4
75.00879	1.3
79.84465	0.4
80.96558	0.4
83.05032	1.0
84.99332	0.7
85.02959	1.8
85.06597	20.4
85.80367	0.4
85.99767	0.5
86.06931	0.5
87.00880	10.7
87.08156	1.7
89.02495	0.6
91.84014	0.4
93.03459	1.2
95.05012	0.5
96.96017	1.8
99.00870	1.3
101.02439	2.3
101.06094	1.3
102.81145	0.4
103.00387	8.1
103.04035	0.4
107.05031	1.0
109.02921	0.5
110.80380	0.4
112.98041	0.8
112.98823	12.1
113.02454	1.6
113.06094	1.4
117.03471	0.5
119.05053	2.5
119.05791	0.5
120.99657	1.7
129.05569	1.0
130.99860	2.1
131.07149	100.0
132.07478	2.9
135.04538	1.6
145.03006	1.2
149.00935	2.5
159.02971	0.4
161.02463	0.9
161.04553	0.7
163.04031	1.8
173.02542	0.6
175.04106	0.6
181.05051	2.1
183.05597	0.7
183.19830	0.4
188.09409	0.8
189.01926	1.2
190.02744	0.5
191.03500	3.0
210.90594	0.5
219.02954	2.0
235.02449	0.5
245.00940	1.6
263.00012	0.8
263.01886	3.9
263.07697	4.8
263.12726	0.4
264.08368	0.6
264.10767	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	263.0561
Annotation	7-Acetoxy-5,6-dimethoxycoumarin
Peak:m/z	Relative Intensity
55.47425	1.1
58.37513	1.1
65.00355	1.3
67.01894	10.3
68.54292	0.9
69.40463	2.9
69.40887	4.4
71.01395	1.1
71.07053	0.9
79.95741	1.2
80.96517	1.0
91.84391	1.0
95.01417	1.0
96.96017	15.7
97.02969	4.6
108.02158	2.9
117.03471	1.5
119.05076	1.9
121.02946	1.9
122.97558	1.7
123.00931	1.6
123.04549	1.5
124.01677	11.2
132.02267	1.0
134.03699	2.2
135.04575	1.1
135.10864	0.9
136.01634	5.0
139.04018	37.4
143.05067	1.8
145.02957	1.6
147.04507	2.9
148.01688	2.9
148.05244	1.3
149.02386	1.5
151.04031	11.0
158.03809	4.7
159.04506	2.9
160.05334	2.9
161.02473	8.0
162.03264	4.4
163.00351	1.7
163.04013	1.2
165.01955	1.3
172.28413	1.3
175.03993	12.0
176.01155	32.0
176.04735	6.1
177.01837	2.1
177.05592	10.8
178.02687	1.5
181.08734	5.5
186.03223	2.6
187.04045	5.7
189.01917	5.3
191.03510	71.1
191.07063	4.8
192.03835	2.1
201.05574	9.7
203.03506	12.8
204.04285	42.0
205.04576	1.0
208.03876	1.1
209.53130	0.9
219.06625	100.0
220.07039	3.2
263.05682	63.9
264.05981	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	261.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88887	0.4
52.20888	0.5
59.01389	1.7
70.27365	0.9
70.27715	1.7
72.99313	12.6
72.99733	0.7
75.00871	3.1
79.95744	7.8
80.96525	1.6
81.03461	1.7
85.02950	0.6
87.00886	1.0
93.03465	22.8
94.03815	0.9
96.96017	5.5
99.00888	0.7
103.00374	0.6
107.05047	2.3
109.02949	0.6
112.98818	1.1
119.05035	48.3
120.05368	1.6
120.99680	0.8
121.03020	0.5
129.05598	2.8
134.03706	1.2
135.04532	28.4
136.04872	0.8
137.06084	2.0
149.00931	1.1
163.04018	34.8
164.04370	1.4
181.05070	83.0
182.05402	3.8
199.00720	19.3
200.01053	0.9
215.00201	7.5
216.00549	0.6
242.99498	0.7
261.00735	100.0
262.01074	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	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
58.02065	0.5
59.01379	1.1
69.35579	0.5
70.34035	2.0
70.75710	0.6
72.51418	0.6
72.99310	13.0
75.00880	3.0
78.95941	0.7
79.95738	6.7
80.96509	1.8
81.03469	2.2
85.06611	0.7
87.00895	0.8
93.03462	23.1
94.03808	0.6
96.96038	2.9
99.00911	0.7
106.39515	0.6
107.05032	2.1
119.05034	46.9
120.05384	1.2
120.99671	1.3
129.05594	4.8
134.03761	1.3
135.04539	28.6
137.06093	0.9
138.88391	0.6
163.04030	36.1
164.04486	0.6
173.02679	0.7
181.05084	84.2
182.05397	2.7
199.00705	16.7
215.00227	10.3
242.99698	0.7
249.49594	0.6
261.00739	100.0
262.01093	3.3
283.43060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74417	0.2
57.57061	0.2
65.78410	0.2
68.42912	0.2
69.43324	1.1
69.43736	0.7
79.95721	1.9
93.42646	0.3
94.85091	0.2
96.96017	100.0
100.69128	0.2
105.03575	0.2
161.02415	0.3
169.48402	0.3
261.08017	50.1
262.08307	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0196
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
59.01369	0.9
69.54936	2.2
78.30860	0.3
79.95731	2.8
80.96526	0.6
83.05033	0.7
89.02402	0.3
91.01906	0.3
91.05550	0.9
95.95213	0.7
96.96011	100.0
98.19850	0.6
98.95618	0.4
107.05032	6.8
108.02166	0.3
117.03455	1.3
119.05020	3.5
133.03030	0.4
133.06932	4.4
135.00865	0.4
135.03491	0.4
135.04521	7.3
137.06091	0.5
139.11327	0.3
145.02965	3.9
147.00821	0.4
147.04489	2.7
148.01665	0.6
153.05576	6.0
161.02469	0.5
162.03194	0.7
163.00330	1.7
163.03998	4.9
173.02449	3.2
175.03996	0.8
176.01126	1.9
176.18036	0.3
183.10300	1.5
189.01944	0.4
190.02734	5.7
191.03497	47.2
192.03899	2.2
200.96674	0.3
211.15500	0.3
213.99660	0.3
219.02960	12.1
219.06750	1.8
220.03304	0.6
221.08586	0.4
234.98882	0.6
235.02495	0.7
263.01962	52.6
263.05933	38.0
263.09360	1.2
264.02325	3.3
264.06287	1.7
264.08649	0.3
271.98834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
59.01371	0.7
71.01374	0.7
71.28235	0.7
73.02947	0.5
75.00870	2.4
78.95906	91.6
79.95728	0.9
82.34023	0.3
85.02969	0.3
87.00861	0.4
96.96056	9.5
96.96965	100.0
101.02438	1.0
108.70512	0.3
138.97049	1.1
138.98045	5.1
143.01366	0.3
143.03491	0.3
161.04581	0.9
168.99101	2.9
178.96063	2.1
179.05609	6.0
180.05977	0.4
196.92648	0.8
198.90543	6.1
199.00267	3.1
214.93698	3.4
216.90602	10.2
217.90752	1.0
223.00238	0.7
234.91763	0.5
240.91585	6.3
241.01237	0.8
241.91689	0.4
258.92511	8.6
259.02005	15.7
274.17349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.6
59.01102	2.2
59.01382	37.8
60.50043	0.9
69.59519	1.9
69.59930	6.0
72.99321	7.8
78.95921	1.0
79.95730	4.5
84.99306	2.0
87.00887	34.1
96.96017	100.0
98.19923	1.9
103.00372	22.7
112.98818	36.1
127.07666	67.3
128.08080	1.1
130.99850	3.5
135.04524	15.1
148.77124	1.1
149.00928	51.1
179.03534	14.3
185.02043	1.0
213.02040	1.3
215.03423	1.2
217.01411	1.7
230.99503	1.1
234.46227	1.0
235.04593	1.0
253.22624	1.2
258.99179	3.4
259.02637	23.1
259.08228	6.2
260.08261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04992	2.5
59.38184	2.6
64.74014	2.6
71.61411	2.6
71.61804	3.3
78.95863	2.7
80.94454	2.6
81.68382	2.6
83.05027	10.4
84.02158	3.2
96.95443	4.4
96.96024	61.1
98.02493	5.5
131.18893	3.0
135.04524	30.0
135.24927	3.1
139.60513	2.6
144.87943	2.8
147.00826	3.0
148.04074	2.4
157.35982	2.5
163.11130	3.5
165.12810	3.4
168.69940	2.7
179.03500	29.8
180.31212	2.9
207.94731	2.9
209.11847	100.0
210.12151	4.7
216.37668	2.9
224.33989	2.8
227.12872	6.9
230.99249	4.9
258.99054	10.8
259.02429	6.4
259.06219	9.7
259.15628	5.1
259.19125	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	261.0075
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
55.71765	0.6
69.50890	5.1
72.99315	13.1
74.42759	0.7
75.00880	2.5
79.95741	7.2
80.96518	1.3
81.03461	2.0
93.03467	23.0
94.03764	1.0
96.96021	2.4
100.55679	0.6
104.49949	0.6
106.04296	0.8
106.71701	0.7
106.86380	0.8
107.05032	1.9
107.68254	0.6
119.05037	47.2
120.05386	1.6
135.04539	31.3
137.06082	1.6
163.04013	40.2
164.04410	1.6
181.05078	87.9
182.05406	3.2
189.92728	0.6
199.00717	16.0
215.00180	7.0
219.06593	0.8
261.00739	100.0
262.01071	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	253.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94207	0.2
59.01379	3.9
61.97276	0.3
69.03451	0.7
79.95770	0.9
87.00890	1.7
95.05039	0.5
96.96017	100.0
98.20640	0.6
103.00413	0.4
105.67844	0.3
106.22909	0.2
112.98824	0.7
113.06159	0.4
121.02966	22.5
133.28409	0.2
165.02251	2.9
165.05923	0.5
173.08209	4.0
180.21922	0.3
191.03813	2.7
193.01819	0.4
209.04869	0.8
217.74605	0.3
244.34081	0.3
253.03882	56.6
254.04247	2.1
255.28676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78017	0.3
59.01384	4.5
61.98819	0.8
65.00346	0.4
67.32190	0.3
69.33058	0.7
69.33459	3.0
71.01381	0.9
71.05019	0.8
73.83790	0.3
79.95758	0.8
85.02940	0.4
85.06612	1.0
89.02472	0.7
93.44995	0.4
96.96016	100.0
97.95987	0.5
98.20586	0.7
101.02460	0.8
121.02966	3.3
127.11300	2.7
136.98793	0.3
155.10759	0.8
171.10272	0.4
173.11833	15.5
174.12119	0.8
193.07123	0.6
246.95216	0.3
253.07498	45.8
253.21667	1.3
254.02251	0.5
254.07843	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
71.01393	1.2
71.61308	0.6
71.61680	0.5
79.95744	46.6
80.96516	4.6
85.02953	0.6
89.86713	0.5
95.05883	0.4
96.96017	1.8
98.95612	0.7
115.00404	0.9
116.05072	2.1
128.05081	6.2
129.19252	0.4
130.06636	81.8
131.06998	3.0
144.04568	0.5
146.06126	3.3
151.00371	0.7
155.04874	0.4
156.04588	0.8
156.82762	0.5
172.04056	1.3
174.05608	36.2
175.02505	1.1
175.05936	1.0
210.02310	100.0
211.02673	4.6
237.00482	0.6
254.01294	47.9
254.98215	3.4
255.01392	2.4
255.12413	0.8
255.23305	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	254.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12568	1.7
59.01381	1.8
61.98836	100.0
65.43539	1.5
67.52146	1.6
69.68612	1.4
71.08719	2.2
71.09052	2.5
72.98203	1.6
74.99104	2.2
79.79681	1.5
87.00875	3.5
96.96022	18.5
121.02961	18.7
122.01682	1.4
122.03297	25.3
129.63788	1.6
132.00455	1.6
156.70508	1.6
167.03860	2.2
174.08549	3.2
175.09843	2.8
182.62839	1.6
254.04225	6.8
255.01640	3.0
255.05476	4.1
255.23361	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	258.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42883	0.3
69.58384	2.8
79.95748	1.0
93.02082	0.4
96.96027	7.5
98.20631	0.5
107.05064	0.9
110.86356	0.4
120.31107	0.4
134.03754	2.1
135.04536	100.0
136.04868	3.6
150.67400	0.4
179.03511	92.2
180.03871	3.8
199.93874	0.4
215.00206	0.7
258.99176	26.4
259.99539	1.5
261.99939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9917
Annotation	Caffeic acid 3'-sulfate
Peak:m/z	Relative Intensity
50.66161	0.3
55.00838	0.4
69.33377	1.5
69.33802	1.5
76.75933	0.3
79.95770	0.8
96.96014	7.3
98.19911	0.7
134.03772	1.2
135.04530	67.6
136.04846	2.2
147.81873	0.4
179.03502	100.0
180.03825	2.6
215.00134	2.1
258.99173	30.6
259.99509	1.0
260.86948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95756	1.3
86.02489	1.0
91.84754	0.3
92.05100	1.0
96.13293	0.3
96.96018	6.2
97.35087	0.3
107.05034	0.9
116.05080	1.0
134.03729	2.1
135.04533	100.0
136.04860	3.7
146.03749	0.6
164.04839	0.8
171.09286	0.8
179.03505	92.4
180.03848	3.2
180.05348	0.4
194.53418	0.3
215.00195	1.0
215.08275	1.2
245.92357	0.3
258.99176	17.6
259.99411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80457	0.3
53.42392	0.3
59.01383	2.5
69.40703	2.5
85.62298	0.3
87.00889	7.3
96.96017	0.6
98.19887	0.6
103.00398	1.7
112.98813	3.5
121.02966	100.0
122.03301	3.1
130.99944	0.3
253.03635	2.6
253.99092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93278	0.5
57.03458	4.0
58.99623	0.4
59.01093	1.0
59.01384	14.6
60.97548	0.6
61.98833	7.2
65.56153	0.4
71.01374	0.9
72.99304	1.3
73.01157	0.5
73.98320	0.6
74.99104	9.2
77.03992	0.6
79.95764	1.2
80.96518	0.5
81.03362	0.5
87.00888	7.7
90.89172	0.4
90.98587	1.1
93.03458	1.4
96.96017	98.5
103.00388	1.7
103.02255	0.8
111.04524	1.2
112.98809	2.7
113.06108	1.1
114.98605	0.8
117.03777	0.7
120.99654	5.4
121.02965	100.0
122.03284	3.2
125.06069	0.8
127.07668	4.6
127.73577	0.4
129.05547	0.7
130.99854	0.6
135.98325	0.6
136.99133	1.8
146.15111	0.5
147.01270	1.6
147.04805	0.4
149.45804	0.5
151.00771	0.8
155.07120	1.3
155.58397	0.5
165.02284	3.7
165.03560	0.7
165.05872	0.8
171.06641	0.5
173.04623	1.2
173.08195	43.1
174.08551	1.4
191.03850	11.2
193.01781	1.3
253.00351	8.1
253.03867	85.1
254.04242	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	253.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85460	0.4
59.01092	0.9
59.01384	12.4
59.95467	0.4
69.48135	0.6
69.48534	3.1
79.95760	1.4
83.05034	1.2
85.02965	0.5
87.00891	3.7
95.05025	0.5
96.96017	100.0
101.02474	0.6
103.00362	0.8
111.55859	0.5
112.98826	1.7
113.06095	1.8
118.70887	0.4
121.02968	53.5
122.03320	1.8
128.43823	0.4
155.07129	0.5
173.08202	12.0
174.08607	0.6
191.03879	3.2
193.01761	1.6
209.04875	2.1
253.03879	42.4
253.22072	0.5
254.04233	1.6
271.84543	0.5
272.59879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01378	5.7
64.23450	0.4
69.03456	0.6
70.30131	1.2
70.30479	0.4
73.02351	0.3
74.99098	1.7
74.99498	0.3
77.60010	0.4
79.95750	1.1
80.96545	0.6
85.01994	0.4
85.02933	0.5
87.00900	0.4
95.79057	0.3
96.96015	100.0
98.19978	0.6
111.04559	0.5
113.06094	0.5
120.99677	1.3
125.06123	0.4
127.07643	1.6
129.05612	0.8
129.10880	0.3
147.01187	0.7
155.07201	0.7
165.02267	2.7
165.05838	0.5
173.04591	1.2
173.08185	13.8
174.08624	0.4
191.03831	3.5
193.01828	0.9
209.04843	1.4
214.30225	0.4
218.14944	0.4
252.22072	0.4
253.00301	3.4
253.03876	55.2
254.04170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1289
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
57.00795	0.4
57.03459	2.1
59.01381	2.4
63.02427	0.5
65.00333	1.7
65.50380	0.4
67.01898	0.4
68.99815	0.6
69.49136	3.2
77.74728	0.4
81.03463	20.1
82.03796	0.5
83.01398	2.1
92.99876	0.4
107.01385	2.2
108.24330	0.4
122.03754	4.3
123.04563	0.5
125.02462	6.9
135.00920	1.0
140.48341	0.4
141.12852	1.4
143.10803	1.4
151.00334	2.4
162.03242	0.6
162.71799	0.4
163.00375	0.5
165.12846	6.7
167.10776	8.7
168.11183	0.6
179.14590	0.4
189.12788	0.4
206.99319	0.5
207.13905	58.9
208.14275	3.2
233.11839	1.4
251.12885	100.0
252.13280	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	251.129
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
55.01884	1.2
57.03434	0.7
59.01375	1.4
71.01388	0.6
71.60390	0.4
73.02958	0.6
79.01889	4.2
81.03432	0.4
85.06600	4.6
91.01901	1.0
91.05543	1.0
93.03450	0.5
95.05037	0.5
95.63989	0.4
97.02948	2.5
107.05046	0.8
109.06593	7.4
111.04522	7.1
113.09722	0.5
115.07664	0.5
119.01382	0.5
127.11308	0.4
131.86343	0.4
135.00922	1.0
135.04552	3.5
136.98808	0.4
137.12842	0.4
139.07668	3.1
151.04016	1.7
151.11279	5.2
152.04810	0.6
153.05585	26.2
154.05949	0.9
160.70978	0.5
163.00282	0.5
165.12938	0.5
167.06569	0.4
176.04887	0.6
178.99908	0.6
179.03484	2.4
180.04257	0.5
189.12752	0.5
190.06311	0.4
205.12282	2.2
206.99263	0.4
207.13908	17.5
208.14235	0.9
233.11876	1.9
249.11342	1.1
250.98315	1.1
251.12885	100.0
252.13232	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.12198	0.4
57.64767	0.4
59.01374	1.8
65.61589	0.4
69.52677	0.9
69.53087	2.5
83.05034	0.6
83.48801	0.4
88.63315	0.4
91.01915	0.4
98.19728	0.4
104.18832	0.5
131.13963	0.4
135.00876	0.4
206.99525	0.5
233.19087	1.5
251.20166	100.0
252.20497	8.8
254.67616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44876	0.3
57.59085	0.3
59.01380	3.4
61.98846	2.0
69.38786	2.6
74.99095	1.1
82.16687	0.3
87.00882	7.5
89.02451	0.4
93.03490	0.3
96.96019	10.1
98.19876	0.7
103.00373	1.1
112.98830	2.8
121.02962	100.0
122.03294	3.3
145.65964	0.3
147.01184	0.4
165.02164	0.5
173.08220	0.8
186.92499	0.3
191.83678	0.3
195.17429	0.3
209.04822	0.5
227.79518	0.3
253.00662	0.6
253.03751	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	249.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
69.61787	4.6
74.07386	0.6
95.01414	0.9
97.64265	0.7
123.92411	0.8
149.13263	0.7
195.92599	0.6
205.19734	1.0
231.17622	1.4
234.38428	0.7
248.97115	0.7
249.18619	100.0
250.14565	3.0
250.18948	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	251.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26996	0.5
50.64521	0.6
51.73080	0.7
56.29201	0.6
69.63982	1.4
69.64395	2.3
79.95734	4.9
95.95273	1.4
96.96017	100.0
98.19905	1.2
127.11282	1.5
133.59178	0.6
146.49510	0.6
171.10287	8.6
203.50409	0.5
207.06953	6.8
233.04895	4.5
247.06502	0.6
251.05952	79.0
252.06227	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	251.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91782	0.4
54.00241	0.4
56.32795	0.4
56.33117	0.4
59.01389	1.6
69.25500	0.4
69.82487	1.2
69.82879	0.7
71.05022	0.5
79.95744	2.0
80.72523	0.5
91.01904	0.7
95.95253	1.9
96.96022	100.0
98.95607	2.9
125.09740	1.5
157.96661	0.4
171.10292	19.6
172.10651	0.7
184.31509	0.4
184.57263	0.4
203.79596	0.4
207.06940	2.1
230.95929	0.5
251.05925	64.5
252.06178	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.7
56.41072	1.0
56.61823	0.9
57.03443	7.0
58.00599	3.9
59.01382	82.4
65.03959	0.9
66.40454	1.0
69.44220	1.2
71.01385	100.0
71.59244	1.5
72.01746	1.4
72.99300	6.3
73.02947	34.5
74.99091	1.1
75.00879	3.2
79.95733	1.0
80.96523	3.0
83.01389	19.5
85.02956	49.6
87.00873	5.7
87.04475	1.3
89.02451	24.6
95.01402	7.4
96.96004	9.6
97.02946	2.7
99.00883	13.8
101.02449	96.8
102.02761	1.9
113.02457	43.1
113.30067	1.1
114.02773	1.5
119.03510	7.8
125.02458	2.6
129.01939	3.6
135.04462	1.4
137.92529	1.1
143.03491	3.7
149.11893	1.3
159.02986	6.0
161.04562	41.2
163.02513	9.7
163.04118	2.0
165.00459	19.1
169.01456	1.7
179.99115	5.6
205.03522	1.4
207.01498	10.1
207.03185	1.5
208.99411	6.6
251.00343	17.2
251.02348	2.8
251.05824	1.8
251.11322	24.6
251.14864	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	247.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.4
69.03452	1.5
69.72731	6.1
83.05034	1.3
112.19826	1.2
147.00912	1.5
149.13380	8.5
175.14932	1.9
202.99838	4.3
203.18047	29.5
203.19823	2.2
204.18269	1.3
229.15988	1.6
246.58536	1.3
246.98830	4.6
247.02568	1.4
247.17044	100.0
248.17482	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	247.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07241	1.1
59.01390	12.6
59.88081	1.2
69.11093	1.1
69.84961	5.0
70.81285	1.0
71.01393	1.1
83.05052	1.6
98.19987	1.5
129.67845	1.2
147.00963	1.4
149.13368	7.8
160.50606	1.1
175.14969	1.9
177.09232	1.5
203.18054	26.8
214.96692	1.2
229.16014	1.8
232.10219	1.4
246.98813	2.6
247.02437	1.8
247.09796	4.0
247.17043	100.0
248.17358	5.6
249.45901	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	249.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96389	0.2
69.03486	0.3
69.98637	1.1
76.77346	0.2
79.95746	1.6
84.57545	0.2
93.07131	0.2
96.96018	100.0
97.95953	0.2
126.08576	0.2
146.43411	0.2
159.54425	0.2
161.02423	0.3
169.08714	2.2
189.97711	0.2
205.05415	0.6
213.77507	0.2
231.03311	0.6
249.04384	31.3
250.04752	1.3
250.14490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
57.03454	4.0
58.00599	1.6
59.01383	34.3
66.53017	0.3
67.01899	3.5
68.99822	11.3
69.03457	7.6
71.01388	46.5
71.60942	0.3
72.01736	0.6
72.99314	9.0
73.02953	6.2
75.00880	30.8
79.95759	0.7
81.03465	2.1
83.01392	3.6
83.05029	1.1
84.02179	0.5
85.02957	26.3
86.00098	0.3
86.03299	0.6
87.00881	9.6
89.02450	9.0
90.02783	0.3
91.04010	2.9
93.03471	3.0
95.01396	7.8
96.96019	22.4
97.02948	2.3
99.00890	16.3
101.02451	0.9
103.00376	2.8
103.04024	1.1
108.02180	0.4
109.02950	1.6
111.00900	3.1
111.04540	1.1
112.01666	0.9
112.04058	0.5
113.02460	27.7
114.02805	0.6
115.00387	3.1
115.04007	1.5
117.01942	6.0
121.02975	0.3
122.97595	0.5
123.04585	0.4
127.00381	0.2
127.04053	0.3
129.01944	3.4
130.99895	0.9
131.03520	0.4
131.90005	0.3
133.05096	0.7
139.00420	0.4
139.04022	0.4
143.03551	0.5
144.16736	0.2
147.03076	0.2
147.04468	0.2
157.01460	0.8
164.07182	0.3
169.05077	0.7
169.08778	0.6
175.02509	1.9
189.04057	2.6
205.05455	0.5
231.05107	6.0
232.05585	0.4
240.80272	0.3
249.06194	100.0
250.06557	3.6
250.14543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0802
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
53.55933	0.2
63.50324	0.3
67.00459	0.2
69.74514	1.4
71.79429	0.3
79.95738	5.5
95.95223	5.4
95.95792	0.4
96.96015	98.3
97.95943	0.3
249.08014	100.0
250.08305	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	249.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27860	0.2
59.46217	0.2
69.31065	1.2
69.31492	1.1
79.95733	5.2
95.95231	5.2
96.96012	82.4
97.90808	0.2
120.23124	0.2
122.97572	0.5
159.99603	0.2
160.09280	0.3
249.08006	100.0
250.08360	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01385	4.6
63.92270	0.4
64.96156	0.4
69.75456	1.1
69.75846	1.1
93.26881	0.4
95.01309	0.4
102.56805	0.4
109.03072	0.4
111.51833	0.4
113.62756	0.4
119.18173	0.4
124.46761	0.4
133.49724	0.4
144.05095	0.4
205.15999	3.7
205.19579	2.0
231.17537	1.4
249.15015	4.6
249.18604	100.0
250.14638	2.9
250.18925	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	247.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13921	0.1
63.28520	0.1
69.95167	0.2
69.95559	0.2
83.26537	0.1
91.05537	0.3
93.03473	0.2
95.01419	0.1
97.02952	0.2
98.19928	0.2
103.05561	0.2
105.03470	0.4
107.05055	0.4
107.82809	0.1
115.05499	0.1
117.03465	0.4
119.05038	1.6
119.05817	0.2
121.02966	0.3
123.00877	0.2
129.03477	0.2
130.04271	0.2
131.05067	0.2
133.02971	0.4
133.23820	0.1
135.04532	1.3
139.04054	0.1
145.02963	2.8
146.03755	0.3
147.03375	0.2
147.04533	3.3
148.04919	0.1
149.02444	0.5
158.03740	0.1
159.04553	0.5
161.02405	0.5
163.00365	0.2
163.04013	2.6
164.04375	0.1
173.02449	3.5
174.03200	0.7
175.04004	2.3
176.01181	0.5
176.04369	0.1
177.01945	0.6
189.01970	0.4
190.02731	3.0
191.03511	13.0
192.00606	0.3
192.03882	0.5
201.01910	0.7
202.02647	0.1
203.03476	1.1
204.00516	0.1
204.03961	0.1
205.01431	0.3
217.01454	0.4
218.02213	0.4
219.02985	5.2
229.01421	0.3
246.01625	0.5
247.02480	100.0
248.02823	5.0
248.05458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63478	0.8
57.03462	0.8
58.00586	1.8
59.01383	27.6
60.38551	0.7
71.01393	4.4
71.60326	1.0
72.99319	2.5
79.95741	0.9
80.96468	0.7
84.99305	1.4
85.02951	2.0
85.38877	0.7
87.00886	21.3
91.05525	1.0
95.01401	1.1
96.96008	1.1
97.41057	0.8
103.00381	17.5
103.04026	5.4
105.03472	5.0
112.98821	31.4
113.02496	0.7
115.07658	100.0
116.07993	1.6
119.05030	4.4
121.03019	1.2
126.46427	0.7
130.99879	3.7
131.05058	2.2
133.02985	1.5
135.04567	1.3
145.02992	3.4
147.00931	0.9
147.04524	10.7
149.00949	1.7
149.02524	0.8
155.16257	0.7
158.03752	1.2
159.04585	2.5
160.01733	0.9
161.02469	0.9
163.04027	2.6
167.06071	0.8
173.02383	3.5
174.03183	1.1
175.04021	30.7
176.04385	1.6
190.02771	3.1
190.99968	0.8
191.01912	1.3
191.03525	12.4
203.03525	18.4
205.01524	0.8
219.02992	5.4
221.04526	1.7
229.01433	1.1
247.02495	87.0
247.08096	9.2
247.17082	1.2
248.02803	6.1
254.44887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.88008	0.1
69.94068	0.9
75.29606	0.1
91.01874	0.3
95.29483	0.1
115.30701	0.2
140.38162	0.2
147.00879	0.5
202.99820	0.5
205.16006	0.3
231.13951	0.6
246.98900	0.7
247.02512	0.6
247.17029	100.0
248.17381	7.8
252.57874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02428	0.6
65.00327	0.8
68.99808	0.3
69.32275	2.0
75.02402	2.0
78.23032	0.2
91.01897	14.2
92.02219	0.4
93.03445	0.6
95.01421	0.4
96.96049	0.2
101.55722	0.2
103.01929	0.4
107.01332	0.3
119.01396	13.7
120.01706	0.5
120.29079	0.2
121.02950	1.3
131.01431	0.4
147.00891	33.6
148.01221	1.2
165.01953	0.5
175.00371	16.4
176.00780	0.5
190.99873	1.8
192.00130	0.2
202.99867	63.0
203.85912	0.2
204.00177	2.6
218.99319	0.6
221.28827	0.2
222.80663	0.3
246.98834	100.0
247.99167	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	246.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
59.26215	0.6
61.57938	0.5
71.01361	1.8
71.58672	0.8
72.99289	0.8
73.02959	0.8
75.00879	1.0
79.95734	8.0
80.96520	100.0
81.03461	0.6
81.96499	0.7
84.10977	0.6
85.02935	1.0
87.00847	0.7
93.03474	3.5
96.96050	1.5
97.02900	0.8
99.04561	0.9
101.02463	0.8
103.04028	0.9
108.02178	53.5
109.02425	1.3
109.03027	1.4
113.24673	0.7
119.05042	1.0
121.02959	41.7
122.03297	0.8
123.04529	16.7
145.02974	1.0
147.04524	1.4
154.46498	0.6
157.01469	0.7
157.07722	1.7
158.99518	0.6
167.03481	6.0
173.02422	1.1
174.02850	0.6
175.04059	1.4
185.07199	1.5
186.95566	1.4
190.02682	1.1
191.03513	3.7
203.00189	25.8
204.00394	0.7
219.03030	0.8
246.99188	41.3
247.02473	17.6
247.06171	1.5
247.08119	0.8
247.17021	1.3
247.99506	1.2
248.03041	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	243.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.6
67.01891	0.8
75.11052	0.3
83.01408	0.3
87.54358	0.3
98.19833	0.7
110.85626	0.3
111.00894	2.3
125.09723	1.4
154.99844	1.0
197.90709	0.6
211.13399	5.8
243.16008	100.0
243.90085	0.5
244.16341	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	243.1601
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
54.61616	0.3
57.09259	0.3
59.01381	0.4
60.20296	0.3
61.98834	5.3
66.86993	0.3
67.01873	0.4
71.08819	0.7
110.02470	0.5
110.46547	0.3
111.00896	2.5
125.09711	1.0
154.99850	0.6
169.12410	0.3
180.81267	0.3
183.13942	0.4
197.90643	1.0
200.05630	0.4
211.13394	4.6
227.02332	1.2
243.16003	100.0
243.89909	1.0
244.16351	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	244.9986
Annotation	Isopentenyl pyrophosphate
Peak:m/z	Relative Intensity
71.58235	0.3
78.95909	100.0
83.77048	0.3
87.00919	0.3
96.96984	1.2
99.00903	0.2
158.92532	2.9
174.99117	0.3
176.33926	0.2
181.38521	0.2
189.01930	0.2
217.01538	0.3
226.98734	1.4
244.99799	5.6
245.04404	0.3
245.11594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
61.21358	0.3
65.18948	0.4
79.95741	25.9
80.96513	3.7
86.71597	0.4
95.05051	1.0
96.96014	27.8
98.19745	0.8
106.04253	8.5
108.02188	1.3
121.06600	3.8
123.04509	0.9
139.49782	0.4
148.62177	0.4
163.07683	0.4
165.09218	100.0
166.09535	4.6
217.01480	0.5
229.11133	0.4
245.04883	95.3
246.05223	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	245.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.5
69.04611	0.2
71.61168	0.1
79.16203	0.2
79.77924	0.1
79.95743	2.1
79.96183	0.2
84.03914	0.2
90.53187	0.2
94.82986	0.2
95.95255	0.6
96.96020	100.0
97.95951	0.3
114.23885	0.2
117.03487	0.3
145.02948	0.2
176.54903	0.1
217.01457	0.2
220.54741	0.2
223.29306	0.2
245.00954	0.4
245.08527	12.6
246.08815	0.7
258.46463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76814	0.4
63.02406	0.6
65.00324	1.2
69.50983	2.5
75.02410	2.0
79.01912	0.4
91.01903	14.5
92.02248	0.4
93.03454	0.6
95.01431	0.5
103.01917	0.4
108.52602	0.3
119.01399	13.9
121.02982	2.2
129.01971	0.3
131.01396	0.5
138.11098	0.3
138.17871	0.3
139.88220	0.3
147.00893	35.5
148.01277	1.0
163.00244	0.3
165.01932	0.7
175.00380	16.4
176.00755	0.7
190.99931	1.7
191.03464	0.5
202.99876	63.9
204.00217	3.6
218.99258	0.6
246.98853	100.0
247.02382	2.8
247.13483	1.4
247.99162	5.5
248.02959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.997
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95760	1.5
96.96017	6.6
111.00912	0.5
117.03471	0.4
119.05036	100.0
120.05377	3.5
159.04514	1.3
161.02525	0.5
163.04018	91.1
164.04344	3.1
172.05383	0.7
173.06097	1.3
175.04091	0.5
183.04863	0.4
199.00690	1.7
199.03856	0.7
200.04736	1.3
201.05603	3.2
215.07156	0.8
242.99692	17.9
243.02788	0.8
243.06609	7.9
243.15976	0.4
244.00008	0.7
244.06993	0.4
253.89688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01743	0.3
61.98847	0.7
67.01892	0.7
72.72323	0.3
79.95741	35.5
80.96537	0.9
89.79588	0.3
110.02531	0.7
111.00882	2.9
112.47527	0.3
127.48193	0.4
148.05312	100.0
149.05634	4.1
154.99879	1.1
163.07655	67.5
164.07973	2.7
207.13597	0.4
229.21107	0.4
243.03313	47.4
244.03647	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	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	14.8
61.98848	6.4
65.00338	7.8
71.01376	23.0
71.59311	10.4
72.99319	14.9
74.99091	12.9
75.00824	5.5
76.71409	5.4
78.95896	23.4
79.95734	29.9
80.96497	10.9
83.01386	9.2
85.02945	12.4
87.00873	5.9
89.02482	8.8
90.74435	4.9
91.01904	8.0
96.00917	5.2
96.96021	100.0
96.96631	7.6
96.96956	13.2
99.00885	30.1
99.04546	6.8
107.01390	6.6
108.02167	12.6
109.02931	18.6
109.06606	7.0
111.00858	18.0
112.98813	82.5
115.00321	6.6
120.99637	11.5
125.02438	9.7
127.00407	7.4
129.01889	8.2
135.00877	10.5
136.35789	5.4
140.63736	5.0
142.99847	61.7
145.01416	8.3
153.01942	12.5
153.95143	6.1
153.99695	10.3
161.04495	23.7
161.08177	9.1
167.03329	6.0
168.00565	6.2
169.01395	9.7
173.00922	81.0
178.99860	27.7
192.16849	6.2
197.00951	22.0
205.03568	35.5
206.09448	5.3
208.98584	11.8
222.98932	6.4
241.00192	84.8
241.03500	25.8
241.21812	7.2
258.28372	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	241.1811
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
52.34912	0.5
59.01362	0.7
61.02429	0.5
61.98828	1.3
69.98046	2.1
79.78060	0.4
97.02984	0.5
103.82740	0.5
103.92033	0.9
165.12869	1.1
178.99988	0.4
179.10883	0.5
193.15877	0.6
197.15498	0.7
211.17046	20.1
212.17322	0.7
223.17047	15.4
224.17409	1.1
241.18102	100.0
242.18462	5.7
246.56821	0.5
247.52635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81380	3.1
57.03437	3.8
59.01383	100.0
62.66438	3.2
62.90149	3.4
68.49210	3.7
69.03458	3.7
69.36243	28.3
69.36536	3.3
71.01391	39.1
72.99318	8.0
73.02956	9.0
73.78039	3.1
75.00888	5.1
78.95924	6.6
83.05029	3.8
85.02953	51.3
87.00884	14.4
89.01298	3.6
89.02448	39.0
96.96024	5.9
97.02962	5.2
99.00899	5.4
101.02438	19.9
101.67346	3.1
110.49972	3.6
111.04524	5.3
113.02480	11.5
114.79858	3.2
117.01985	5.9
119.03526	4.5
129.01942	5.7
130.54974	3.1
131.03526	20.0
136.99117	3.1
149.04584	5.4
151.00742	3.5
161.04581	18.1
165.04044	8.0
175.82938	3.2
178.96031	11.0
179.05615	64.8
221.06677	85.4
239.02321	4.2
239.07750	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01377	1.2
67.13880	0.5
71.24870	1.0
74.24187	0.5
78.48427	0.5
95.05041	1.2
97.83846	0.5
101.06087	7.8
109.06591	5.2
111.08159	5.6
125.09730	0.7
138.06886	1.4
139.03021	0.9
139.04024	12.6
154.06367	32.9
155.06706	1.0
167.14413	10.8
179.05626	1.4
179.10770	4.8
180.11441	0.8
182.05873	3.6
195.13905	100.0
196.14253	5.1
214.11736	0.6
221.94543	0.5
239.12900	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	241.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01041	3.3
55.01869	4.7
57.03447	5.5
59.01381	19.3
65.00323	3.9
71.01389	18.9
71.59904	4.6
72.99309	4.8
73.02965	5.6
74.99083	4.8
78.95924	11.1
79.95753	17.3
81.03449	4.7
83.01379	4.2
85.02966	7.4
87.00895	7.2
91.01899	7.8
96.96023	100.0
96.96918	6.7
99.00897	24.7
99.01489	4.5
108.02159	7.7
109.02972	7.0
109.06621	4.1
110.00708	5.9
111.00906	15.1
112.98830	53.5
120.99666	11.8
123.00868	5.0
124.01682	5.9
125.02484	9.2
129.01953	10.6
134.86211	3.5
135.00934	8.0
135.04532	4.1
142.99886	44.7
145.01483	6.4
153.01895	3.4
153.99710	10.0
161.04590	7.6
161.08192	12.6
162.81972	3.7
162.83939	3.2
168.00615	5.6
169.01375	12.3
173.00926	60.7
175.88878	4.1
178.99910	21.1
179.03833	3.6
197.00937	11.7
205.03596	20.2
208.98654	10.7
241.00151	45.9
241.03777	32.0
241.07292	6.9
242.06750	4.6
249.95078	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	237.044
Annotation	7-Chloro-L-tryptophan
Peak:m/z	Relative Intensity
58.09395	0.2
58.33816	0.2
59.01384	0.5
69.48278	1.4
69.48683	0.5
79.95743	1.5
96.96019	100.0
97.95939	0.3
98.20596	0.3
115.88450	0.2
126.75984	0.2
127.07654	0.8
139.07634	0.7
147.99858	0.3
157.08717	6.1
158.09073	0.2
192.99648	0.8
211.02611	0.2
237.04387	34.9
238.04655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03446	2.4
59.01387	7.7
70.65756	2.3
71.01396	4.7
72.99310	2.0
73.02953	1.2
75.00880	31.4
78.95911	14.1
85.02953	3.0
87.00883	100.0
88.01194	1.9
89.02458	3.2
99.00864	0.8
101.02432	2.8
113.02472	2.0
115.00386	1.4
117.01958	0.8
119.03496	1.5
120.99648	2.3
129.01947	14.6
136.93985	1.3
138.32980	0.6
143.03490	0.7
143.81483	0.8
148.75687	0.8
154.90565	2.2
154.91592	2.5
160.93640	0.9
178.94972	1.2
194.93835	0.7
205.21872	0.7
214.06563	0.8
218.86885	5.7
236.87886	1.9
237.00421	1.2
237.06158	34.1
238.06459	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	237.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67150	1.4
55.01870	9.7
57.03448	5.3
58.00578	3.8
59.01382	66.4
61.98841	6.9
70.02642	6.5
71.01388	100.0
72.99305	5.5
73.02951	35.5
74.99095	5.9
75.00871	8.6
78.95901	6.9
80.79957	1.4
80.96483	1.3
83.01385	15.8
85.02959	46.0
87.00875	7.1
89.02445	14.1
95.01376	6.3
96.96013	5.9
97.02950	2.1
99.00906	15.3
101.02450	90.1
105.00144	4.0
111.00890	2.4
113.02462	33.3
115.00385	37.2
119.03487	1.9
120.99666	54.1
121.03009	1.4
125.02438	4.5
143.03447	3.9
148.99147	3.4
159.02979	9.0
161.03226	2.1
161.04568	34.0
205.03569	2.5
237.00764	7.0
237.04340	4.7
237.09760	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	237.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12970	0.6
50.17738	0.5
51.20210	0.5
55.16409	0.7
59.01379	1.3
61.01181	1.0
68.10058	0.6
68.82192	0.7
70.30148	1.5
71.01385	29.9
72.99326	1.2
73.02953	0.9
74.99107	3.8
75.00874	2.8
80.63208	0.6
81.03464	0.7
85.02953	1.3
87.00873	7.5
96.96048	1.5
99.00858	0.7
101.02441	0.8
104.25166	0.7
105.00164	9.1
113.02450	0.6
115.00382	71.1
116.00763	0.8
120.99663	100.0
121.49600	0.6
121.99971	1.9
125.02434	1.5
129.01970	1.2
148.99152	6.5
149.02696	1.5
165.33331	0.6
193.01530	1.1
193.05266	0.8
205.03552	0.8
237.00763	11.3
237.04269	2.0
237.06189	2.8
253.11922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04330	0.2
59.01384	2.1
59.96721	0.6
61.98826	0.4
67.77524	0.2
70.59875	0.7
74.99078	10.8
75.44741	0.2
75.96228	0.5
76.45683	0.2
85.02950	0.2
87.03254	0.2
91.02217	10.1
93.00137	4.6
95.01398	0.3
97.02951	0.2
120.83305	0.3
123.00929	0.5
149.00972	5.0
150.98936	0.3
151.00375	0.4
161.04565	0.3
179.05630	2.2
195.13834	0.3
206.99750	2.5
223.02849	100.0
224.02908	7.8
228.63019	0.3
239.05983	0.7
239.12900	0.9
241.03885	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	239.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48349	0.2
57.03444	0.5
69.57534	0.5
69.57932	0.8
77.93799	0.2
78.65662	0.2
79.95746	0.9
85.82374	0.2
95.72882	0.2
96.96017	100.0
104.46557	0.2
113.09734	3.6
129.63997	0.3
141.09218	0.5
157.08708	0.3
159.10277	11.6
160.10608	0.4
209.36557	0.3
233.66248	0.2
239.05954	37.3
240.06274	1.4
259.19522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38354	0.2
64.83356	0.2
70.77029	0.3
71.05016	1.3
79.95747	0.6
85.06575	0.7
91.34959	0.2
96.96011	100.0
104.46172	0.2
113.09732	3.5
115.11274	0.2
117.52832	0.2
141.09192	0.5
157.08661	0.5
159.10263	11.1
160.10614	0.3
197.39610	0.2
239.05939	32.4
240.06300	1.4
252.18213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0439
Annotation	7-Chloro-L-tryptophan
Peak:m/z	Relative Intensity
56.95627	0.3
59.01362	0.4
60.13854	0.3
65.50485	0.3
69.12373	0.3
69.60299	0.8
69.60719	1.2
79.95755	1.4
90.21269	0.3
96.96017	100.0
97.06580	0.5
97.95941	0.3
98.95592	0.8
111.08153	1.2
147.99840	0.4
149.00685	0.8
152.51302	0.4
157.08707	35.3
158.09036	1.1
192.99672	2.1
193.05347	3.7
218.46446	0.3
237.04382	58.2
238.04706	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	233.1547
Annotation	Sesquichamaenol
Peak:m/z	Relative Intensity
51.25930	0.3
57.03463	0.3
59.01387	1.6
59.01630	0.3
64.96955	0.3
69.59308	1.6
75.41195	0.2
85.06596	24.8
86.06943	0.5
91.02087	0.3
93.03423	0.3
99.02858	0.3
107.05031	0.9
120.05820	9.8
121.06165	0.5
133.06635	1.0
135.08173	100.0
136.08508	4.1
147.08165	10.6
150.60800	0.3
152.04814	5.2
160.98866	0.3
163.11346	1.3
177.37054	0.3
215.14412	0.5
233.15474	86.7
234.15799	6.0
234.17981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0984
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
59.01367	1.1
64.77430	0.5
71.05026	13.1
71.36973	0.6
71.37300	0.8
72.00928	1.8
72.99316	0.8
75.63047	0.5
86.02488	6.2
87.00884	3.7
94.52293	0.5
96.96008	6.3
99.04513	3.5
101.06131	0.6
102.06424	0.5
103.40344	0.5
104.03543	100.0
105.03861	1.2
113.02530	0.6
114.01979	0.6
116.07182	1.2
124.07669	0.5
132.03055	2.5
146.08247	12.3
147.01225	1.1
147.06654	0.7
158.08191	1.5
188.09268	6.5
234.09830	79.9
234.15834	4.9
235.02724	2.7
235.10121	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	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39255	0.2
55.80510	0.2
59.01378	0.5
60.56329	0.2
61.58257	0.2
61.98828	0.4
70.45706	0.7
71.01368	0.2
94.03029	0.4
121.02972	0.3
128.78625	0.3
134.03748	0.7
135.04543	0.5
136.05283	0.4
148.05315	8.8
149.05968	0.5
149.09720	1.3
162.06871	0.3
175.07597	0.5
176.08473	1.0
177.09216	45.4
178.09540	2.0
190.09979	1.7
191.10802	1.0
192.11572	33.7
193.11971	2.1
194.08473	0.2
201.09247	0.5
203.07178	0.7
214.41292	0.2
217.08698	3.4
218.09488	8.4
219.09778	0.6
236.10550	100.0
237.10915	6.7
237.14944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20079	1.2
55.01888	1.5
57.03451	3.3
59.01385	40.0
69.03465	6.0
70.46583	3.6
71.01390	12.8
72.99323	2.4
73.02950	2.8
75.00864	8.8
79.01885	2.0
79.95753	2.0
80.96533	4.1
81.03453	2.2
83.01385	3.8
83.05048	1.8
84.99339	1.8
85.02953	3.7
86.02501	2.6
87.00883	23.4
92.05069	6.6
96.96044	3.1
97.02991	3.4
97.87009	1.4
98.95501	1.4
99.00903	5.8
100.04067	2.9
101.02466	2.9
101.06092	100.0
102.06444	2.3
103.00385	13.1
104.03548	4.3
107.01409	5.8
108.02181	3.0
109.02959	17.4
111.00893	5.1
111.04545	1.3
112.98820	23.9
115.92098	3.8
125.02493	5.9
129.01949	9.6
130.99832	1.4
135.00887	6.4
135.04517	2.3
138.15916	1.3
140.49655	1.1
145.01530	1.7
151.00388	2.9
153.01967	18.5
153.05582	1.7
160.89261	2.3
161.02486	2.0
171.01239	1.4
192.83803	1.3
214.96579	32.3
215.02019	1.6
224.82263	1.3
232.97565	14.8
233.01106	5.1
233.06526	8.5
233.15427	17.5
234.06119	8.1
234.09892	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
59.96742	0.6
60.97516	0.4
69.73986	1.0
69.74422	1.1
74.99073	8.1
74.99500	0.5
75.96204	0.4
79.82846	0.4
86.18827	0.3
91.02237	1.0
93.00138	3.1
104.62358	0.3
117.39849	0.4
118.96293	1.0
129.95346	0.3
134.99417	8.8
136.97342	2.5
141.07483	0.7
143.05373	0.6
147.52106	0.3
149.00972	76.5
150.00911	2.5
150.98909	1.1
159.08492	2.5
161.06418	3.5
215.05698	1.3
217.07224	97.8
218.07346	6.4
233.10352	100.0
234.10497	7.9
235.08380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.93610	0.8
59.01390	2.3
67.32900	1.4
69.43357	2.0
69.43767	5.5
73.02884	0.8
80.02671	1.4
81.03465	2.2
82.90285	0.8
83.05041	7.2
84.02160	2.8
95.05015	1.2
97.06597	1.6
111.00903	1.0
111.08181	4.3
146.19981	1.0
163.11292	5.6
165.11569	1.8
165.12868	25.1
166.13202	1.3
176.87776	1.0
181.12491	1.4
183.13913	28.5
184.14265	1.7
191.10773	1.0
209.11841	100.0
210.12164	6.1
227.12894	87.6
227.20184	4.4
228.13287	4.8
239.35025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.63943	0.3
57.03445	0.5
69.03458	0.5
70.66259	0.3
71.04002	0.7
71.04367	0.3
77.83691	0.3
111.08179	0.5
117.37753	0.2
137.05371	0.3
150.62592	0.3
165.12860	18.5
166.13257	0.6
181.12398	0.3
183.13908	100.0
183.74963	0.3
184.14272	4.3
191.10866	0.3
209.11862	2.8
227.12897	16.1
228.13281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03441	0.5
59.01362	0.7
65.00321	0.5
67.01889	0.8
67.72919	0.4
68.89507	0.4
68.99817	0.4
70.16914	0.8
72.99321	0.4
81.03459	0.9
81.07103	1.2
83.05024	1.8
84.02157	0.7
89.57803	0.4
95.01393	1.3
97.06595	0.5
98.19978	0.7
99.92596	0.5
107.85821	0.5
111.00873	1.9
136.98820	0.5
139.00380	1.6
139.11298	0.8
153.05542	0.6
155.18304	0.4
163.11295	1.4
165.12886	2.1
180.83211	0.4
181.12398	0.5
182.38188	0.4
182.99295	0.5
183.13904	5.6
185.11848	1.0
191.10730	0.5
197.15443	2.5
199.13425	3.9
209.11842	29.9
209.15382	2.2
210.12154	1.6
225.14926	0.7
227.03609	1.0
227.13197	10.6
227.16531	100.0
227.20184	5.7
228.16853	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.31169	0.3
57.03458	0.7
67.02415	0.4
72.74732	0.4
83.99856	0.4
95.01379	0.4
98.19875	0.6
108.12817	0.4
138.34679	0.4
139.11308	0.7
165.12840	1.2
167.14421	39.7
168.14751	2.0
185.15460	1.1
211.13403	52.3
212.13742	3.4
229.14452	100.0
230.14810	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03444	1.7
65.47377	0.3
69.26645	2.7
71.05018	0.7
81.12824	0.3
83.05041	0.3
84.02152	0.3
85.02953	0.8
97.06586	0.4
105.70831	0.3
106.88732	0.2
125.09746	2.8
127.11298	4.7
129.77965	0.3
134.28563	0.3
155.14442	2.0
165.12860	0.6
167.14449	1.4
171.10292	4.4
183.13904	1.0
185.11882	0.4
201.14989	0.5
209.11856	3.0
211.13434	7.4
212.13785	0.3
229.14452	100.0
230.14783	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.43332	1.0
56.83524	0.9
69.67228	6.0
73.01179	6.8
80.05069	2.4
82.03001	5.9
90.14525	0.8
96.04558	27.3
96.05157	1.6
96.96012	1.9
98.20793	1.0
98.99104	5.3
107.04998	2.3
108.03815	0.9
108.04557	27.9
114.00199	91.4
115.00582	1.4
119.37266	0.9
126.69863	1.0
142.03329	100.0
143.03679	2.4
151.04019	4.0
156.66553	0.9
186.02313	38.6
230.01279	80.0
230.99573	2.0
231.01503	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	230.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28435	0.4
54.28872	0.4
59.04545	0.5
61.60557	0.3
69.97865	2.0
74.89194	0.4
79.95751	1.7
80.96519	0.9
81.03458	0.7
81.33469	0.5
89.54768	0.3
93.03506	0.6
95.01401	0.4
95.95210	2.0
96.96008	10.1
103.30972	0.4
106.04256	1.1
107.05030	100.0
108.02169	0.7
108.05372	3.5
118.85144	0.3
121.02975	0.9
123.04530	1.4
151.04008	88.9
152.04393	3.2
158.25470	0.4
184.91335	0.4
187.00711	1.4
203.03520	0.7
203.07281	0.4
216.04242	0.5
230.99669	31.0
231.03029	1.2
231.08578	0.8
231.17563	0.7
231.99950	0.9
242.32404	0.5
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
54.61038	0.3
57.11733	0.3
59.01381	0.3
67.01924	0.6
71.05026	0.8
71.60330	0.4
73.39606	0.3
74.38477	0.3
75.13214	0.3
80.02673	1.9
81.03465	1.6
83.01381	0.5
83.05029	6.8
84.02173	4.1
85.02958	0.5
87.68185	0.3
93.03456	0.4
93.17821	0.3
95.01395	0.6
95.05035	0.9
109.06593	0.5
111.00892	0.7
125.06110	0.7
132.03876	0.3
135.08130	0.6
139.00403	0.6
147.11774	0.3
155.54608	0.3
163.11292	5.6
165.12851	3.9
166.13007	0.3
175.42741	0.3
181.12378	1.0
183.13876	1.8
191.10777	1.3
209.11832	100.0
210.12190	4.9
226.98399	0.3
227.12866	5.3
227.16463	0.6
227.20168	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
62.70260	0.3
66.04491	0.3
70.74490	0.7
70.74857	0.7
71.05025	0.6
80.02699	1.8
81.03461	2.0
83.05028	7.4
84.02178	3.0
92.92098	0.3
95.05040	1.0
109.06593	0.4
125.06074	0.8
125.09800	0.5
134.03867	0.4
135.08124	0.8
147.11807	0.4
163.11296	5.6
165.12848	3.9
181.10625	0.3
181.12376	1.1
189.78319	0.3
191.10800	1.4
192.44843	0.4
209.11833	100.0
210.12143	5.5
227.12904	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61619	1.7
69.62031	1.1
71.05020	0.7
80.02692	2.1
81.03478	1.8
83.05033	6.7
84.02179	3.2
95.05031	0.6
106.52366	0.4
106.53301	0.6
125.09830	0.5
135.08156	0.9
163.11287	5.1
165.12880	4.7
167.72476	0.5
191.10765	1.9
209.11842	100.0
210.12222	4.7
227.12904	3.7
249.42593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Blumenol B
Peak:m/z	Relative Intensity
54.72431	1.2
59.01385	18.5
61.98831	12.6
65.00331	25.8
68.38124	1.1
69.03458	1.4
70.68007	4.0
71.01370	1.4
76.11796	1.2
79.08894	1.6
81.03436	1.9
83.05019	4.4
92.99858	2.6
93.03477	10.4
97.02948	4.5
109.02926	1.7
109.06599	6.9
125.02478	2.0
126.90500	2.0
136.98816	39.0
137.02431	5.1
142.02716	1.8
151.07697	1.2
156.60637	1.2
163.11333	6.3
163.14934	2.9
165.01915	1.6
178.83369	1.4
180.97775	2.7
181.12375	6.7
189.12862	1.9
195.02914	2.0
195.13928	22.5
196.14209	1.5
197.15463	3.1
198.65900	1.3
205.12349	1.7
206.99405	1.6
207.10339	21.5
207.13911	72.8
208.14264	4.0
224.90399	2.0
224.96890	2.7
225.00436	5.3
225.07755	2.7
225.11475	36.9
225.14957	100.0
225.92758	2.4
226.15300	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
51.42701	0.5
58.90892	0.6
59.01384	5.6
62.68278	0.5
65.00328	8.7
71.01390	0.6
93.03480	1.4
98.19804	0.8
102.15345	0.5
106.35051	0.4
108.99388	0.5
133.99138	0.5
136.98814	11.3
149.25975	0.5
165.74304	0.5
178.83385	0.8
180.97737	1.0
204.26225	0.5
207.10287	0.5
207.17509	1.2
208.97552	1.0
220.58986	0.5
224.96786	0.9
225.00626	1.8
225.18611	100.0
226.18959	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.87793	0.4
57.03461	0.4
59.01379	0.6
71.01393	0.8
71.60043	0.7
72.99313	100.0
73.99672	0.6
75.00874	2.9
79.95753	1.3
96.96026	0.5
97.02937	0.7
107.05119	0.4
109.02917	0.4
112.38560	0.4
112.98790	0.6
113.06142	0.4
121.54005	0.4
122.03763	0.8
123.08164	0.6
125.06079	0.5
136.05359	0.4
137.02441	0.6
138.06847	1.4
139.07680	3.5
147.08170	1.3
151.03902	0.5
151.07674	4.2
152.04890	0.4
152.08453	4.1
153.09204	2.2
165.09225	4.7
165.12784	0.6
167.07010	0.4
167.98927	0.4
179.03450	0.8
182.73880	0.4
183.10368	0.5
183.13864	2.1
193.05096	0.6
209.08214	2.9
209.11903	0.5
227.03839	2.4
227.09258	38.5
227.12915	2.0
227.16527	0.8
227.20171	4.6
228.09598	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	225.1133
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03452	1.0
59.01382	9.2
61.98838	1.2
65.00327	6.2
66.10949	0.5
68.83981	0.5
69.03443	0.8
71.05029	0.6
71.61044	0.6
80.02711	0.7
81.03469	2.1
83.05041	2.7
83.05475	0.5
84.02192	1.6
85.02944	0.8
89.61518	0.5
93.03462	3.5
95.05042	0.8
96.95984	0.5
97.02956	9.4
97.06593	0.7
99.00893	1.4
106.04292	0.6
107.05017	0.7
109.02960	1.2
109.06593	25.3
110.03752	4.0
110.06094	0.5
110.06915	0.5
111.04552	0.7
121.06609	2.0
123.04552	0.9
125.09752	0.9
126.90462	0.6
133.06570	0.7
135.08160	4.0
136.05307	2.0
136.98817	9.6
137.02455	2.0
142.02731	5.6
144.82663	0.5
145.10236	0.6
151.07538	0.6
161.09703	1.9
163.11288	20.6
164.11617	0.9
165.01941	1.6
165.09163	0.7
178.91864	0.5
179.10741	0.9
180.04300	1.2
181.12344	16.0
182.12683	0.6
183.28351	0.4
189.09177	1.2
195.02986	1.2
195.06618	1.1
197.11864	0.7
207.10266	80.2
208.10638	4.6
209.56270	0.5
210.05229	1.0
224.90486	0.7
224.96858	0.8
225.00497	0.8
225.11324	100.0
225.92763	0.7
226.11661	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97013	0.8
59.01385	12.9
65.00330	8.9
80.02686	1.6
81.03468	4.8
83.05030	5.1
84.02174	3.0
92.44494	0.8
93.03471	4.9
95.05046	1.2
97.02964	11.9
98.19917	2.4
99.00871	2.0
109.02945	1.4
109.06598	41.3
110.03736	4.6
110.06860	1.1
121.06625	3.0
135.08171	5.8
136.05286	2.5
136.98825	15.1
137.02417	2.1
142.02731	6.8
143.05142	0.9
145.06595	14.3
161.09753	2.8
163.11295	25.9
164.11539	1.6
165.01939	2.6
180.04265	1.5
180.97772	1.5
181.12341	18.6
182.12604	1.4
189.09354	1.4
207.10266	90.6
208.10587	5.3
210.05382	1.6
224.96802	1.4
225.00346	2.0
225.02333	2.5
225.11331	100.0
225.14989	3.8
226.11633	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	225.1499
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.21321	0.9
52.85255	1.1
59.01381	14.4
61.98837	13.0
65.00333	21.0
70.11407	4.5
81.03442	1.8
83.05025	4.7
90.99958	1.0
92.99831	1.9
93.03452	7.8
95.01389	1.0
97.02926	2.8
97.06575	1.6
101.18007	1.1
109.02954	1.6
109.06609	8.3
121.06684	1.1
123.04488	1.2
125.02454	1.6
125.06092	1.0
125.20529	1.1
126.90533	2.5
135.08208	1.6
136.98817	31.3
137.02472	5.0
137.09851	1.2
137.99088	1.0
163.00269	1.3
163.11302	7.3
163.14967	2.2
165.01945	1.5
178.23164	1.1
178.83441	2.6
180.04335	1.7
180.97746	1.8
181.12300	6.5
181.16035	1.5
189.12910	1.5
195.03006	3.3
195.12244	2.0
195.13918	26.0
196.14258	1.4
197.15518	4.4
200.59196	1.1
206.99324	1.8
207.10356	18.3
207.13910	72.1
208.10573	1.3
208.14288	5.3
210.05344	2.2
224.96767	3.1
225.00406	3.1
225.04115	1.7
225.07666	3.3
225.11507	28.0
225.14963	100.0
225.92635	3.7
226.11710	1.7
226.15250	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	221.1547
Annotation	Kobusone
Peak:m/z	Relative Intensity
52.69126	0.1
54.40186	0.2
55.14697	0.1
59.01381	0.5
70.51771	0.2
70.52100	0.3
86.56313	0.2
87.00878	0.2
113.02542	0.2
121.84985	0.1
125.67823	0.2
127.07637	0.7
148.05281	0.3
149.06064	0.3
151.07640	0.5
164.08456	1.7
165.09157	0.2
183.09937	0.2
205.12352	1.7
206.12709	0.9
207.13942	1.1
220.14693	3.8
221.15463	100.0
222.15797	5.6
235.13353	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	221.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29138	0.2
55.24913	0.2
62.44540	0.2
68.92744	0.2
69.67996	0.7
69.68411	0.3
79.95741	2.6
84.88013	0.2
96.96017	100.0
97.95945	0.2
128.05109	0.2
174.87318	0.2
179.03549	0.3
221.99007	14.0
222.07564	0.2
222.99225	0.6
223.02757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78901	0.2
59.01371	0.5
70.94448	0.2
70.94796	0.5
74.01641	0.2
79.95731	1.6
80.69711	0.2
80.96541	0.2
84.99458	0.2
85.02957	0.2
96.96017	100.0
97.95966	0.3
99.00887	0.3
111.32158	0.2
125.02478	0.3
139.38051	0.2
143.07129	2.1
145.55806	0.2
179.03830	3.1
183.81660	0.2
193.01459	0.5
205.01735	0.4
208.00012	0.2
208.03757	0.6
210.19180	0.2
212.66388	0.2
223.02827	28.3
223.06348	0.7
223.13365	0.2
224.03131	1.0
243.33102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01379	0.6
66.01849	0.2
67.13620	0.3
69.58128	0.4
69.58531	1.5
71.01392	0.4
79.95734	2.5
80.96532	0.3
90.11945	0.2
96.96014	100.0
97.95956	0.4
99.08167	0.8
100.67155	0.3
121.63499	0.3
125.02454	0.5
135.04465	0.2
137.02454	0.3
143.07153	8.4
165.01945	0.3
179.03831	4.9
193.01439	0.7
205.01749	0.9
208.03793	0.9
219.00098	0.3
223.02818	50.1
224.03239	1.8
224.06960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46574	1.4
52.92474	1.4
55.01870	4.5
56.10297	1.8
57.03449	8.4
59.01396	10.5
69.03482	3.2
71.00067	2.3
71.01392	12.5
72.99310	48.0
73.01166	4.8
74.99098	4.5
75.00865	7.4
78.95919	3.1
79.95766	2.4
80.96513	2.7
81.03471	19.5
83.01396	2.8
85.02959	57.8
87.00879	7.4
87.02735	9.2
89.02431	3.0
90.98601	2.6
91.02236	10.4
96.96015	100.0
97.02958	3.0
99.00890	22.1
101.02477	5.0
111.00928	7.9
113.02438	8.3
117.01958	5.7
117.03835	8.1
120.99648	3.9
125.02454	66.2
126.02791	2.1
129.01953	82.6
131.03529	2.4
135.01231	12.2
135.04872	9.8
142.30307	1.9
143.03503	8.7
143.07140	3.2
144.18242	1.6
147.03004	33.8
152.91840	1.5
159.02982	1.9
159.45410	1.6
161.04500	3.4
167.03525	1.5
169.01447	4.5
179.00085	1.8
179.03714	5.7
179.07042	1.6
205.01640	3.8
205.03537	47.3
208.03825	2.7
223.02736	27.5
223.04604	99.1
223.06410	4.9
224.04939	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	223.1341
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
57.03459	1.3
59.01394	6.3
59.01633	1.1
64.19176	1.1
65.48468	1.1
69.03468	7.6
71.01376	1.1
71.05015	1.5
83.05064	1.1
85.06590	1.4
95.04987	1.3
97.06577	1.1
125.09728	1.5
141.09142	1.4
143.02025	1.0
149.09741	2.2
161.13391	1.3
167.10811	11.0
177.12790	1.9
179.10771	3.2
179.14424	10.9
195.13908	29.9
205.12326	24.7
223.02774	1.7
223.13397	100.0
224.13814	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.29212	0.5
59.01383	100.0
60.01708	0.6
69.03472	0.6
69.69717	3.6
81.03452	1.1
93.03450	4.4
95.05006	0.6
96.96018	2.0
97.06589	3.4
97.77919	0.6
99.00884	0.9
113.39694	0.6
121.02981	0.6
123.00893	0.7
125.02464	0.8
135.08147	2.2
137.02495	2.9
137.03464	0.6
147.08153	3.2
159.19316	0.5
163.11250	1.2
165.01953	3.6
165.09172	1.2
169.01439	1.2
179.73479	0.6
180.04247	1.7
181.01462	0.8
181.12332	1.1
195.02968	0.7
195.06569	2.1
196.56235	0.6
207.10159	0.9
210.05363	1.3
225.00514	0.7
225.07755	1.7
225.11313	34.9
226.11620	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	225.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86184	0.4
58.73234	0.4
59.01376	1.0
61.88153	0.4
66.54031	0.4
71.08892	0.7
71.09222	0.5
71.15642	0.4
75.00887	0.6
79.95773	1.4
81.03474	0.7
83.05038	4.4
92.00318	0.5
96.70998	0.4
96.96017	100.0
99.08157	8.5
112.35191	0.4
119.05051	1.0
131.50848	0.4
145.08714	54.0
146.09070	1.6
156.02382	0.4
163.04001	0.8
194.94882	0.4
221.02475	0.4
225.04390	88.7
225.16061	3.9
226.04739	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	225.1133
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
53.92347	0.1
57.03458	0.3
57.40353	0.1
59.01383	100.0
60.01719	0.8
69.03461	0.4
71.59711	0.1
72.94881	0.1
75.24647	0.1
79.83871	0.1
81.03459	0.9
83.05031	0.2
90.86048	0.1
93.03462	0.6
95.05027	0.6
96.96018	5.1
97.02930	0.1
97.06595	3.8
98.95611	1.6
98.96445	0.2
109.01192	0.1
109.06623	0.3
119.05044	0.3
125.02430	0.1
125.06087	0.1
133.06592	0.2
133.10245	0.1
135.08176	1.9
137.02466	0.6
145.10237	0.1
147.08168	3.6
148.08578	0.2
149.09702	0.1
151.11311	0.6
153.63275	0.1
163.11305	0.6
165.01987	0.3
165.09219	1.7
180.04311	0.1
180.99657	0.2
181.05130	0.1
181.12347	1.1
195.03029	0.2
195.06587	0.3
207.10306	0.5
208.14392	0.1
210.05293	0.2
225.08159	2.5
225.11336	30.8
226.11650	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	223.1704
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
51.38485	0.4
52.70170	0.3
52.95117	0.3
59.01385	7.2
70.20001	0.5
70.20380	0.6
71.01362	0.5
75.45483	0.3
83.05033	1.5
99.80611	0.4
145.24522	0.4
176.98250	0.5
194.99338	0.4
205.15948	5.2
206.16368	0.5
223.17038	100.0
224.17369	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	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
53.75857	0.3
61.98821	0.3
67.04564	0.3
72.30388	0.3
72.46051	0.3
91.18771	0.3
101.44647	0.3
102.40755	0.3
113.00607	0.3
122.89447	1.4
129.69666	0.2
138.12025	0.3
144.00891	0.8
153.62065	0.3
169.15987	4.8
171.01971	0.3
186.89720	0.8
197.15488	2.2
213.14973	0.8
215.00992	4.2
215.16525	100.0
216.16856	5.5
239.91487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28009	0.4
58.86467	0.4
59.01383	100.0
60.01706	0.7
69.54960	3.1
72.99310	0.4
77.24750	0.4
90.97146	0.9
114.98895	1.3
118.96648	0.9
132.98198	2.5
156.99931	3.0
160.97813	0.5
174.99254	29.1
175.99640	0.6
217.00304	27.9
218.00549	0.6
218.98270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	1.0
61.98857	3.5
71.56346	1.2
77.29200	0.5
90.97147	1.2
97.02798	0.6
118.39082	0.6
118.96674	0.7
124.89139	16.4
131.03818	0.7
132.98206	3.0
148.33296	0.6
158.84694	0.9
170.88448	1.3
174.99263	27.8
188.89484	8.4
216.80251	1.0
217.00281	24.2
218.04594	2.0
218.98273	0.6
235.48792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77248	1.8
59.01102	3.1
59.01385	51.7
59.59344	1.8
61.98829	8.0
68.89822	1.8
71.01389	2.8
72.74585	2.0
82.97661	1.7
83.05031	2.3
86.89070	1.5
94.96207	1.6
100.91176	1.6
105.67489	2.1
113.04441	1.8
119.01404	2.1
121.10242	19.9
123.88480	1.8
147.11797	6.7
153.91158	1.7
175.14920	35.9
201.12920	3.2
213.27586	1.9
218.99284	3.5
219.10437	2.9
219.14082	29.7
219.17534	100.0
220.17955	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	219.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98135	1.0
59.01384	23.1
61.98828	8.9
71.60360	0.8
71.60771	1.5
87.00832	0.9
91.01897	1.3
102.50011	0.8
107.08679	1.0
114.72697	1.0
119.01407	1.1
121.10236	9.8
132.89502	0.8
133.10211	0.9
142.79004	0.9
147.00867	1.7
147.04544	1.2
147.11787	5.1
163.07579	1.0
175.07654	1.1
175.14934	16.2
191.03662	1.0
201.12825	1.8
203.14430	1.3
218.99472	2.0
219.03033	2.4
219.06645	1.5
219.10475	2.0
219.14178	18.4
219.17537	100.0
220.14548	1.0
220.17868	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	221.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.9
57.03449	5.2
58.00587	2.5
59.01387	52.0
68.99827	1.1
69.03459	1.8
71.01393	43.6
71.59692	1.1
72.99319	3.5
73.02956	15.4
74.02483	22.7
75.00865	1.9
79.95739	2.5
79.98635	0.8
80.96515	1.1
81.03471	1.0
83.01389	10.2
83.05045	0.8
85.02958	25.3
86.00105	1.4
86.02491	5.2
87.00880	5.0
87.04502	0.9
89.02439	7.2
93.03485	1.1
95.01414	4.2
96.96021	100.0
97.02958	1.0
97.57293	0.8
99.00892	7.9
101.02453	43.2
113.02457	15.6
119.03538	2.1
119.04982	1.2
121.02959	1.6
123.04521	1.6
124.01640	1.1
125.02396	1.9
129.01942	3.0
129.03796	2.0
131.03511	3.2
132.08174	2.7
133.02995	1.3
134.03659	1.0
135.04498	1.0
139.03975	1.7
142.06624	1.2
143.03522	1.0
145.02910	1.3
147.04546	13.5
149.02422	2.1
149.06084	3.4
159.03008	2.0
161.04607	8.0
161.09656	1.1
163.04108	1.0
164.07239	1.0
165.01892	0.9
165.05623	1.0
166.32935	0.9
172.03244	1.0
176.07135	1.7
177.01917	3.6
177.05562	2.4
177.09192	1.1
178.08730	5.6
179.10716	1.9
190.99792	1.5
206.02187	2.6
206.09534	3.3
221.01181	7.1
221.04633	5.5
221.06659	8.7
221.08304	1.7
221.10220	6.5
221.12166	8.9
221.15416	1.4
221.18245	0.9
221.99043	11.9
222.07739	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	209.9493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98838	100.0
69.11479	0.1
70.81250	0.3
78.95892	0.1
94.02998	0.5
114.76953	0.1
122.07823	0.1
124.04051	1.0
142.20616	0.1
163.95618	0.3
164.96407	0.7
165.25301	0.1
204.22681	0.1
209.94917	31.4
210.94998	1.6
211.13318	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	211.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33741	0.3
58.19627	0.3
64.21040	0.3
65.81757	0.3
69.50723	0.6
69.51141	1.6
71.49447	0.3
79.95744	0.9
82.96130	0.3
83.05038	0.4
85.06602	7.8
86.06931	0.3
87.08146	0.7
95.95248	0.3
96.96022	100.0
113.06094	0.5
115.45615	0.3
129.05574	0.6
131.07155	26.0
132.07468	0.5
134.03751	0.3
153.05603	0.3
211.02835	42.7
211.13402	0.7
212.03027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.85782	0.3
59.01365	0.4
61.98841	0.3
62.69558	0.2
69.03461	1.0
69.85674	1.0
69.86087	0.5
83.05028	0.6
98.19882	0.3
104.33586	0.2
150.26654	0.3
155.10750	0.4
165.12822	0.5
167.10791	0.7
167.14444	1.4
181.12384	0.3
183.13910	14.8
184.14261	0.5
193.12338	3.8
211.13405	100.0
212.13747	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	211.1341
Annotation	Traumatin
Peak:m/z	Relative Intensity
55.01886	1.7
57.03461	2.2
58.39578	1.4
59.01374	3.2
61.50938	1.3
61.98841	3.5
65.00323	2.1
67.01891	2.6
68.99838	1.9
71.05022	26.3
71.60273	1.9
71.60648	1.7
83.05041	1.6
85.02951	2.4
93.07111	3.5
93.32659	1.6
95.01386	10.7
97.93529	1.9
107.08667	1.8
109.02987	1.8
111.00895	4.5
123.00873	3.9
123.04601	2.1
124.04041	2.7
125.04354	2.8
139.00380	3.0
140.53784	1.7
164.98343	2.4
166.99869	3.3
167.06131	4.6
167.10806	2.0
167.14395	5.3
183.13933	14.4
192.97804	8.5
193.12457	1.6
210.06859	2.0
211.06046	2.0
211.07736	6.5
211.13406	100.0
212.13779	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
61.58875	0.8
61.75151	0.8
91.14642	0.7
97.95423	0.6
98.19871	1.1
108.34367	0.8
170.29015	0.7
183.13901	20.1
184.14236	1.4
195.13907	20.2
196.14217	1.3
210.16269	0.7
213.14964	100.0
214.15335	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	214.1086
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
56.88250	0.9
58.00585	1.1
59.01385	14.0
60.91626	1.0
66.03496	1.1
70.02972	2.4
70.64884	1.1
71.01381	3.4
71.59996	1.1
72.99312	46.1
75.00875	100.0
75.20313	0.9
79.95731	3.8
87.00899	4.9
94.03004	1.0
94.06635	1.1
96.08196	6.7
96.96032	3.6
108.08165	1.3
120.04535	2.3
120.08159	5.7
131.03363	1.0
132.08212	2.0
134.09764	1.2
135.04576	1.3
135.56357	1.1
138.09258	16.2
139.07623	1.0
144.00917	2.3
148.60098	1.1
150.09245	52.2
151.09654	2.6
152.10844	5.6
168.10312	11.3
178.08675	1.2
196.09840	5.5
214.10847	80.7
215.01015	18.2
215.09280	1.5
215.11188	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	206.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98835	100.0
71.59289	0.1
75.39632	0.1
91.70303	0.1
149.02393	0.1
162.98508	1.2
164.96385	0.2
172.21004	0.1
177.01970	0.8
192.00659	0.6
192.04303	0.8
206.97455	7.0
207.02960	0.2
207.06627	0.3
207.10295	0.1
207.97595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03442	5.2
59.01368	2.5
61.98825	4.1
64.61215	1.1
65.00327	6.2
66.03496	1.5
68.99853	1.2
69.03459	2.6
71.01387	19.6
71.05005	0.9
73.02940	1.4
80.02673	2.4
81.03468	3.1
83.01397	3.2
83.05030	7.0
84.02185	2.1
85.02975	1.4
91.01903	1.2
92.99829	17.5
93.03461	4.9
94.03029	6.4
95.01414	1.7
95.05043	4.0
97.06600	6.1
107.05010	1.5
108.02180	1.2
111.08176	2.3
112.94228	1.3
121.02962	95.3
122.03320	1.9
123.08128	1.7
124.04055	16.4
125.09711	7.9
134.03835	1.1
135.04536	1.5
136.01611	2.1
136.98817	8.3
137.02449	2.3
137.06114	1.6
145.10222	1.2
147.11768	3.3
149.09656	1.1
151.11285	25.3
151.52408	1.0
153.12834	2.9
161.02420	1.2
161.09743	1.5
163.11293	9.6
164.98296	15.1
165.01898	2.2
165.09209	1.2
165.12837	15.4
167.10741	1.1
170.85684	1.0
173.09688	3.4
178.32710	1.0
178.34314	1.0
179.03542	2.2
179.10776	5.1
181.12352	35.5
182.12666	1.6
190.99869	1.4
191.10777	16.5
194.05820	3.2
208.97321	1.9
209.01009	2.3
209.04576	12.7
209.11833	100.0
209.94862	1.7
210.07646	1.6
210.12177	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	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01384	0.5
61.98834	2.3
64.62877	0.4
65.00336	1.3
69.67622	0.4
71.60436	0.6
80.02681	1.0
81.03471	1.2
83.05044	3.3
89.11156	0.4
91.01911	0.5
92.99824	2.8
93.03445	0.5
94.03015	0.8
113.30003	0.4
121.02971	19.2
121.03856	0.9
124.04043	2.5
136.98816	1.7
137.02481	0.5
159.78809	0.5
163.11322	2.1
164.98257	3.1
165.12857	1.5
181.12376	0.4
191.10764	0.7
194.02094	0.5
209.04567	2.3
209.11836	100.0
210.12186	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	209.1183
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.59103	0.2
59.01381	0.4
65.00342	0.3
80.02690	2.1
81.03458	1.9
83.05037	9.1
92.99848	0.4
93.03484	0.5
95.05035	1.4
98.20631	0.5
109.06552	0.4
121.02972	2.3
124.04047	0.5
125.06100	0.8
135.08142	1.4
147.11819	0.3
149.63507	0.2
158.05447	0.2
163.11310	7.1
164.11711	0.3
164.98279	0.4
165.12881	4.3
166.13184	0.3
181.12344	1.3
191.10793	1.9
209.11847	100.0
210.12192	4.5
221.40303	0.2
223.60188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32983	0.3
55.73037	0.2
61.98821	0.4
63.68471	0.3
65.00355	0.5
69.28871	1.4
69.29295	1.2
71.98895	0.2
80.02688	2.7
81.03461	2.2
83.05034	9.5
92.99835	1.3
93.03439	0.4
95.05039	1.0
97.02961	0.4
97.06577	0.5
98.19869	0.6
99.58329	0.3
101.54506	0.3
105.77065	0.3
121.02978	6.5
124.04056	0.8
125.06089	1.2
128.68311	0.2
135.08144	1.4
136.98820	0.3
147.11786	0.4
152.64584	0.3
159.33011	0.2
161.02498	0.4
163.11308	7.9
164.97075	0.3
164.98315	1.2
165.12856	4.4
166.13153	0.3
179.03468	0.6
181.12411	1.2
191.10797	2.0
194.05844	0.4
209.11845	100.0
210.12172	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
51.01882	0.6
58.78162	0.6
69.81124	3.4
71.01376	0.6
72.00912	20.7
74.02479	29.8
88.70197	0.6
116.05068	100.0
117.05418	3.6
122.52966	0.6
126.32762	0.7
130.06645	2.0
142.06625	28.0
143.25603	0.8
154.23853	0.7
159.09291	15.7
160.89302	0.9
161.04826	1.3
186.05655	3.1
191.42772	0.7
203.08272	53.9
204.08670	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	204.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67275	0.1
54.28378	0.2
57.48458	0.1
59.01385	4.7
60.01725	1.9
61.01814	0.5
61.98836	100.0
70.06786	0.3
70.07178	0.4
83.61464	0.1
160.03815	0.2
185.13464	0.1
204.00021	0.6
204.02766	0.7
205.16035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03458	2.8
59.01390	2.7
60.56525	0.3
61.98830	0.7
67.01897	5.9
68.99819	0.6
71.01397	2.1
71.05003	0.5
71.13106	0.7
72.99323	3.8
73.02959	4.7
75.00882	1.3
80.73940	0.4
81.03458	1.3
83.01395	0.9
83.05045	0.6
85.02953	1.4
87.00888	45.5
88.01222	0.5
89.03953	0.3
97.06609	1.6
98.72620	0.4
99.00902	1.6
99.04534	3.6
101.02457	1.2
103.04059	0.4
111.00896	100.0
112.01250	2.1
112.98813	0.5
115.00407	2.2
115.04037	2.2
117.02019	0.5
125.02485	3.6
125.06167	0.4
129.01978	0.6
130.99889	0.6
133.02980	0.4
142.99855	0.9
143.02400	0.7
143.03520	11.7
143.07133	2.8
145.01450	1.9
145.05081	2.9
150.97505	0.4
154.99875	1.3
161.02522	0.6
161.06104	0.6
173.00908	1.9
177.01851	0.4
187.02501	0.5
187.06207	1.7
190.02817	0.4
205.01624	0.9
205.03537	3.7
205.05176	1.3
205.07182	2.2
205.08797	0.5
205.12398	1.2
205.15959	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	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
69.47089	1.2
81.95389	0.1
83.32518	0.1
91.24815	0.2
116.90240	0.1
149.09630	0.2
162.89389	0.2
189.12866	1.9
205.01451	0.2
205.15985	100.0
206.16319	4.9
229.50137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.74549	0.9
58.02698	1.6
58.02979	31.5
69.35202	8.9
70.02983	13.7
72.00900	4.2
91.05532	14.9
101.04561	1.0
111.66272	0.9
117.41386	1.1
126.03267	1.2
135.04504	1.4
143.71434	1.1
147.04538	41.7
148.04872	1.1
164.07172	100.0
165.07492	2.8
177.94092	1.1
206.08229	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03449	3.6
59.01379	2.0
60.70984	1.1
60.99290	2.6
66.42465	1.1
67.01875	2.0
69.03459	75.8
69.47141	1.0
70.22660	3.8
70.23054	2.0
71.01385	56.3
72.99305	9.4
74.02460	2.4
75.00863	4.6
76.98952	1.1
79.01900	15.8
82.12576	1.2
83.01377	2.8
85.02956	10.3
86.06120	1.2
87.00883	15.6
93.05534	1.2
95.01385	10.0
95.05034	1.8
97.02957	100.0
97.06559	2.0
98.03297	3.2
99.00890	2.0
111.00878	4.2
113.02434	3.8
115.00374	10.0
123.00869	4.7
123.04498	1.4
127.23626	1.0
129.01952	7.5
141.01962	21.9
141.05586	1.7
157.03442	1.3
158.08199	2.2
159.02986	2.7
159.08559	1.7
160.04097	2.7
184.82494	1.4
185.04514	1.6
186.07767	1.7
203.01982	96.9
204.02341	2.7
204.08763	4.1
208.56473	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	203.02
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01893	1.4
57.03454	3.9
57.44724	0.6
58.02980	1.5
59.01376	1.2
60.99314	1.8
67.01905	1.9
69.03463	67.6
70.03798	1.2
71.01389	47.1
71.23438	1.0
72.01719	1.1
72.99313	8.0
73.02944	1.5
74.02480	1.5
75.00887	4.3
77.76530	0.5
79.01903	13.2
79.63354	0.6
80.02250	0.6
83.01404	2.3
85.02962	11.6
87.00884	12.9
89.72875	0.6
94.81490	0.6
95.01398	9.0
97.02962	100.0
98.03313	1.8
98.06143	1.0
99.00900	2.6
100.04059	1.7
101.02462	1.2
104.71109	0.6
109.07603	0.7
110.11991	0.7
111.00908	3.8
113.02463	3.7
115.00392	9.6
115.04034	1.6
116.07207	2.8
123.00896	4.7
123.04422	0.7
129.01964	5.9
140.07208	3.1
141.01956	22.1
141.05585	0.9
142.02267	0.8
157.03378	1.1
158.08243	5.5
159.03029	2.7
162.07733	0.7
185.00903	2.2
185.04590	0.7
186.07773	1.8
203.01990	87.3
204.02226	3.1
204.08757	7.8
204.10498	0.8
211.84325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34915	0.3
59.01384	100.0
60.01728	0.6
70.34071	1.0
113.04579	0.3
142.84201	0.3
157.03568	6.0
158.03673	0.3
159.01495	2.5
201.02568	11.6
202.02740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0519
Annotation	N3-Fumaroyl-(S)-2,3-diaminopropanoate
Peak:m/z	Relative Intensity
55.01890	0.6
57.03433	0.5
59.01385	100.0
60.01724	0.6
60.48995	0.5
71.01384	3.9
71.01698	0.4
71.36294	0.5
72.99323	2.2
75.00874	0.6
79.95734	0.6
82.02988	3.7
83.01390	0.8
84.04555	3.0
85.02968	0.6
86.02486	1.3
86.04819	0.5
86.06132	2.0
87.00871	2.9
95.05012	0.8
95.07782	0.6
96.35490	0.6
98.02491	3.7
100.04071	1.4
101.02496	0.6
106.04077	0.5
111.04556	0.6
112.02821	0.9
112.04060	6.8
112.07712	0.7
113.03590	4.0
113.06094	0.9
113.07217	0.6
114.05611	1.4
117.03518	0.6
122.94815	0.6
125.03593	3.6
127.05194	1.1
128.07162	1.7
130.08745	1.2
134.62576	0.6
139.04073	0.9
139.05139	0.8
140.03578	1.1
144.03036	12.4
144.04094	1.0
155.04634	21.8
156.03020	0.7
156.04939	0.6
156.06636	2.8
157.03577	5.6
157.06223	1.3
158.08249	2.8
159.00356	0.6
159.01512	3.0
170.01035	0.8
175.02843	1.5
183.04167	1.7
190.36510	0.6
201.02611	12.6
201.05244	51.5
201.11356	1.1
202.02843	0.7
202.05478	1.9
202.07288	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	202.0722
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
55.01880	3.4
55.06380	1.5
55.91380	1.3
57.03447	5.8
59.01379	6.1
60.12811	1.3
69.03448	5.4
70.02980	3.5
70.24296	2.7
70.24651	3.3
71.01385	8.3
72.04557	15.5
74.02487	8.2
79.95741	4.8
82.02991	9.0
83.01392	12.6
84.00919	3.9
84.04552	5.0
84.21670	1.5
85.02982	3.5
85.06586	3.7
86.06121	34.3
87.00885	2.5
89.37199	1.5
91.26194	1.3
94.02956	1.9
96.04545	7.8
96.96021	2.3
97.02954	11.1
98.02484	94.0
99.00835	1.9
99.02808	2.3
100.04070	16.6
105.67786	1.6
108.04560	2.9
110.06096	2.1
112.04060	29.3
112.07687	22.4
114.05626	28.1
122.06110	1.9
124.04037	3.5
126.05653	2.2
128.07181	36.6
130.08762	20.3
138.05618	6.8
140.03539	3.7
140.07184	15.8
141.01959	1.9
142.05054	2.7
156.03075	9.3
156.06667	89.2
157.07056	3.5
158.08232	80.6
184.02556	4.9
184.06267	2.1
202.02986	5.1
202.05589	4.6
202.07222	100.0
203.02000	6.7
203.05672	3.5
203.07475	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.29291	0.2
54.86074	0.2
59.01399	0.2
63.78035	0.2
65.00313	0.2
66.03489	0.3
67.01904	0.2
68.35696	0.2
70.35226	0.8
79.01901	0.2
79.89017	0.2
89.00358	0.3
91.83195	0.2
94.36024	0.2
94.42236	0.2
98.20370	0.3
103.92030	0.5
109.06596	3.9
111.08164	3.5
111.20079	0.2
122.03743	0.6
123.00905	0.5
123.04577	0.4
125.09719	0.8
135.11815	0.4
135.25859	0.2
138.06865	0.7
139.00237	0.2
139.07607	0.2
150.03204	0.6
151.00423	0.2
151.04033	0.3
151.11238	0.4
160.84236	1.6
165.01962	0.6
165.05615	0.4
165.12885	0.3
167.14427	6.6
168.14650	0.2
176.98344	0.2
179.10768	4.5
180.04300	0.5
180.11493	0.4
183.13873	0.2
187.16704	0.2
194.99409	0.9
195.13907	100.0
195.81104	0.9
196.14255	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01883	0.4
59.01377	0.7
67.94702	0.4
69.03462	1.7
69.85030	2.1
83.05006	0.9
90.21051	0.4
108.99326	0.5
123.00898	1.2
126.90562	1.3
137.09744	0.5
141.09190	1.1
150.92439	0.5
151.11314	1.1
153.09213	1.4
153.12863	3.6
154.65805	0.4
160.22797	0.5
162.83908	0.9
169.12358	16.5
169.13832	0.8
170.12741	0.5
172.42441	0.5
179.03351	0.4
179.10721	1.4
182.02213	1.9
197.11835	100.0
197.80763	0.9
198.12158	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.65253	0.4
53.00322	0.4
58.71713	0.3
59.01375	0.7
61.98831	0.4
65.00326	0.9
66.00212	0.3
69.03444	0.9
71.05038	1.3
83.01395	0.4
91.40104	0.4
95.01389	0.5
97.02957	0.5
97.06594	14.3
98.06984	0.5
99.08161	4.6
108.99327	0.5
109.02981	0.5
109.06613	0.7
121.02970	0.6
122.03735	2.0
123.00893	1.8
125.02415	0.8
125.09708	1.0
126.03287	0.8
126.90519	1.0
136.76299	0.4
137.02473	0.6
137.09741	1.7
138.03276	0.6
151.11263	1.1
153.01942	0.8
153.12856	100.0
154.13184	3.0
159.67598	0.4
160.84218	0.9
162.83914	3.6
166.99887	1.3
169.12312	1.4
179.10773	20.4
180.11165	1.2
182.02193	2.6
188.76433	0.5
192.95837	0.4
196.89384	0.5
197.02220	0.7
197.04553	1.3
197.08078	0.5
197.11830	15.1
197.15480	0.6
197.80817	2.0
198.12112	0.6
199.14629	0.4
204.14113	0.4
214.66936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0429
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
50.88868	0.5
56.72309	0.5
60.62372	0.4
62.53589	0.5
70.15216	1.7
71.52964	0.4
77.03977	1.9
79.95757	0.6
82.34105	0.5
89.03995	0.6
95.05043	4.8
99.83237	0.5
105.03469	24.6
106.03823	0.6
112.01173	0.5
121.02966	0.7
123.04512	1.8
128.35945	0.5
132.02144	0.8
133.02966	100.0
134.03716	2.3
137.02435	1.4
149.02441	4.4
161.02444	2.3
164.04791	6.5
177.01936	20.8
178.02519	1.7
192.04292	53.3
193.04979	9.0
200.69804	0.4
201.97037	0.5
206.42249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0871
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.76419	0.2
52.91517	0.2
59.01388	0.6
65.00328	0.2
69.03484	0.3
69.54295	1.5
71.01390	0.7
73.02956	0.4
80.85778	0.2
83.01402	0.2
85.02960	1.0
86.00096	0.2
87.00884	0.4
89.88370	0.2
90.09593	0.2
93.58467	0.2
96.96053	0.2
97.02963	0.3
101.02467	0.7
102.77604	0.2
107.05034	1.2
113.02437	0.3
121.02948	0.4
125.02455	0.4
129.87737	0.2
133.02975	0.5
134.03761	5.8
135.04538	32.9
136.04893	1.0
137.02457	0.8
139.04002	0.3
149.02478	0.3
149.06091	1.6
161.04567	0.9
163.04019	100.0
164.04346	3.7
165.05609	0.3
177.05591	0.4
178.02972	3.5
178.06363	71.1
179.06703	2.6
193.01405	0.9
193.05095	2.5
193.07190	0.5
193.08705	8.8
194.09055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.45492	0.2
57.03445	0.9
59.01388	0.8
67.01896	0.6
69.51752	1.2
71.01389	0.3
73.02951	0.5
77.03993	0.2
83.05051	0.2
83.84117	0.2
85.02956	5.1
87.00883	6.8
93.03482	1.0
99.00893	0.2
102.22706	0.2
108.34267	0.2
111.00887	14.1
119.05045	2.0
121.02963	100.0
122.03292	2.5
122.54878	0.2
129.01964	1.2
133.02959	0.2
135.04549	0.4
147.04533	7.5
153.02089	0.2
163.00381	0.4
163.04002	0.7
173.00908	0.3
176.01128	1.1
191.00255	0.3
191.01949	1.4
191.03526	8.3
191.05612	5.7
191.07326	0.4
191.10814	0.6
192.04025	0.5
200.65437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
54.81662	0.2
57.03453	1.2
59.01381	3.4
60.99313	0.3
64.03972	0.2
67.01897	1.0
69.03455	0.6
69.58453	0.5
69.58869	1.0
71.01376	2.2
73.02951	1.1
81.03474	1.1
83.05042	1.1
85.02955	28.0
86.03304	0.4
87.00878	8.2
93.03461	7.6
93.04355	0.2
94.03787	0.2
99.00980	0.2
99.04532	0.8
101.02508	0.2
109.02972	1.9
111.00884	8.1
111.04504	2.4
127.04023	5.0
129.01955	0.5
133.02948	0.6
137.02477	0.5
143.03474	0.2
155.03549	0.6
171.02991	1.3
173.04535	1.7
176.01158	0.4
191.05626	100.0
192.04372	0.4
192.05945	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
50.27423	0.2
51.67157	0.2
52.69252	0.3
57.03188	0.4
57.03455	6.6
59.01382	2.0
67.01891	3.6
69.03461	0.3
71.01388	1.2
71.34226	0.4
72.99317	0.8
73.02948	1.3
80.49682	0.3
81.03484	0.5
85.02958	38.6
86.03300	0.8
87.00882	49.1
88.01228	0.5
90.61568	0.2
90.64097	0.2
93.03463	2.4
99.00840	0.3
99.04538	0.3
99.31413	0.2
101.02439	0.7
103.04040	0.3
109.02965	1.0
109.91702	0.2
111.00890	100.0
111.04523	0.7
112.01225	2.1
112.98877	0.4
117.01952	0.7
127.04030	1.3
129.01952	6.2
130.99855	0.7
147.02985	0.9
154.99864	1.0
155.03537	0.3
171.03020	0.6
173.00925	2.0
173.04582	0.7
180.60013	0.2
191.02000	9.8
191.05620	33.2
192.05997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.8
57.22543	0.3
59.01378	1.6
63.80983	0.3
67.01888	4.2
70.59070	0.9
71.01395	0.9
72.99306	0.8
73.02960	0.8
85.02957	35.3
86.03285	0.6
87.00880	49.0
88.01222	0.7
93.03484	1.8
96.40282	0.4
98.20548	0.5
99.04514	0.3
101.02448	0.9
109.03020	0.4
111.00888	100.0
112.01209	1.9
112.98837	0.7
117.01965	0.4
120.56464	0.3
127.04017	0.7
129.01959	5.7
130.99854	0.8
146.84700	0.3
147.02977	0.5
150.39301	0.4
154.99904	1.0
173.00931	2.0
173.04401	0.3
191.02011	9.5
191.05630	23.8
192.05920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.04984	0.1
55.70561	0.1
65.99866	0.1
67.62891	0.1
71.33464	0.2
74.43033	0.2
97.87718	0.1
99.60938	0.1
100.23840	0.1
102.03504	0.5
116.05085	0.2
126.31631	0.1
144.04559	100.0
145.04900	3.6
159.03270	0.6
160.04008	0.1
188.03545	3.4
189.03839	0.2
189.20683	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	190.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01389	1.8
65.00333	2.0
67.01879	1.0
71.01380	0.7
71.60016	0.3
73.02954	0.7
79.95744	100.0
80.95673	0.7
80.96528	2.1
81.03454	0.6
81.95323	1.2
85.02957	14.4
87.00882	11.5
89.00330	0.5
91.01917	0.6
92.02727	0.3
93.03461	2.8
95.01382	0.4
97.02963	1.1
108.02172	0.8
109.02955	0.9
111.00888	22.2
111.04496	0.9
119.01427	0.4
120.04523	0.5
121.02963	7.7
122.03205	0.4
123.00928	0.3
124.12427	0.3
127.04034	1.4
129.01961	1.3
133.03003	0.8
134.03752	8.6
135.00963	0.4
135.04552	6.2
137.02472	0.3
147.04506	0.7
149.02457	19.4
149.99622	1.1
150.03276	4.4
150.53381	0.5
151.00352	0.4
152.01160	0.4
161.02481	1.0
163.00423	0.6
163.03967	0.5
165.01891	2.0
171.03001	0.3
173.04590	0.9
174.03244	0.3
176.01164	1.2
178.02713	6.0
179.03148	0.4
182.49898	0.9
183.02985	0.5
187.04054	0.5
189.02339	0.4
190.01071	3.2
191.02068	2.2
191.03714	1.0
191.05635	26.7
198.03218	0.6
199.04053	1.6
200.04820	0.5
201.01904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
57.03444	1.1
59.01375	3.0
61.13051	0.9
63.94933	0.9
67.01887	1.8
68.99835	1.0
69.03452	1.4
69.43712	6.3
71.01392	2.8
71.05030	2.3
79.95739	1.0
81.03478	7.0
83.01424	2.4
85.02973	1.2
97.06580	1.2
98.02483	7.4
99.00880	3.2
99.04518	44.6
100.04051	1.3
102.05639	3.2
113.02483	1.0
114.05606	6.3
115.04009	10.7
116.03539	6.7
116.07143	2.0
124.04082	1.3
125.02449	100.0
125.09686	5.5
126.02774	2.2
127.00343	2.6
128.03545	4.4
129.01878	0.9
142.05124	7.3
142.99797	1.1
143.03548	10.2
143.04602	2.0
143.07204	1.4
144.03018	5.7
144.04118	0.7
144.06693	4.7
144.10318	2.9
150.55804	0.9
159.02986	1.3
169.01418	1.0
178.84535	0.9
187.02446	15.5
187.03920	2.4
187.06097	1.1
187.09688	1.6
188.05659	5.7
188.09308	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	187.025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90505	0.6
58.02994	0.5
59.01381	1.1
63.90508	0.6
67.01869	1.2
70.09188	2.2
71.05025	2.4
72.00907	1.2
72.99310	0.9
81.03462	6.6
87.00925	0.5
92.32057	0.6
97.02953	0.6
98.02482	3.6
99.00896	2.1
99.04531	45.0
100.04865	1.0
102.05611	2.4
114.05589	1.2
115.04022	9.0
116.03548	7.1
125.02457	100.0
125.09753	1.1
126.02811	2.7
127.00371	0.7
128.03589	1.7
142.05116	1.2
143.03534	10.2
143.04633	1.6
143.07162	1.3
144.03009	7.7
144.06697	0.9
187.02422	13.2
187.06128	1.2
188.05670	1.0
188.09193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0093
Annotation	cis,cis-3-Carboxymuconic acid
Peak:m/z	Relative Intensity
55.01865	1.0
57.03452	2.5
59.01374	2.9
62.30876	0.9
67.01891	5.2
68.99837	0.9
69.03459	23.1
69.26114	7.6
69.57745	0.8
71.01389	2.9
72.99318	1.1
78.95908	58.6
79.00253	0.8
79.01898	2.9
79.95749	3.3
83.01397	3.6
85.02952	5.4
85.06585	1.0
87.00887	1.5
88.78295	0.9
95.01392	73.3
96.01739	1.6
96.96968	59.7
97.02958	23.2
97.06599	3.6
98.95609	3.4
99.00877	1.5
103.20638	0.8
111.00883	13.9
113.02464	6.6
113.08092	0.8
114.09232	0.9
115.92063	1.1
123.00893	100.0
123.04527	2.3
123.08151	1.5
124.01199	2.5
125.02457	1.8
136.01697	1.1
139.00383	20.9
140.01106	2.5
141.01949	62.6
141.05565	1.4
141.09207	2.8
142.02246	2.0
142.96596	1.5
160.97643	1.5
166.99870	53.8
168.00189	1.2
184.98529	5.1
185.00960	12.4
185.02702	1.7
185.04500	2.1
185.11890	4.2
185.15527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04616	0.5
59.01387	79.8
60.01726	0.7
60.29759	0.5
61.98830	3.7
63.69073	0.4
66.99638	0.5
67.33287	0.4
69.24311	4.5
72.65619	0.5
74.99387	0.6
82.38702	0.4
90.97138	1.8
97.06616	1.3
98.20582	1.1
99.00916	0.5
101.03150	0.5
114.98901	2.1
115.01804	0.6
115.02526	3.4
117.00465	9.7
123.08231	0.6
125.06070	0.6
125.09736	9.5
132.98172	0.8
141.86845	2.9
142.89421	1.1
143.02019	1.8
144.99944	1.6
155.12775	0.5
159.01512	100.0
159.87900	1.7
160.01636	6.0
168.88927	1.0
186.89999	0.8
186.95575	1.3
187.01012	13.0
187.03905	1.1
187.07941	0.7
187.09752	5.3
187.11234	0.8
187.13377	1.6
188.00858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
51.51559	0.2
58.61400	0.2
61.98861	0.3
64.21737	0.2
66.03477	0.3
69.03433	0.4
69.96593	0.8
79.95743	0.9
92.05068	4.5
93.03440	0.2
94.02985	1.8
95.01416	0.3
95.95168	0.2
96.96016	11.5
98.20599	0.5
107.03796	0.3
108.02189	3.5
108.04562	51.6
109.04906	1.3
109.13759	0.2
110.02528	0.2
110.06130	0.7
111.00888	1.7
120.04560	5.2
121.03024	0.2
122.02491	1.2
122.06113	0.3
123.00892	0.3
123.03255	1.0
136.04019	1.0
138.05617	100.0
139.00354	1.2
139.05975	3.2
152.01074	1.2
152.03580	1.0
152.98293	0.4
167.03030	0.7
182.04585	22.3
183.03264	3.3
183.04909	0.7
183.06488	0.3
183.10312	0.3
194.99756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
65.00330	0.7
67.01883	0.9
68.44344	0.3
68.99820	0.5
69.43652	2.6
71.01380	0.8
72.99298	0.7
73.21938	0.3
82.00603	0.9
83.01395	0.9
86.00082	0.4
87.00890	0.6
95.01402	0.5
96.99338	0.5
110.00076	1.2
110.00774	0.3
111.00887	7.5
123.00893	1.3
124.01663	7.5
127.00371	2.8
136.98805	5.4
139.00391	7.9
140.01175	14.4
141.01456	0.6
151.00368	0.8
154.99869	0.5
168.00653	15.5
183.02992	100.0
184.03357	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	183.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57063	0.3
58.65578	0.4
59.01366	0.6
62.02499	0.4
69.45798	2.9
81.49594	0.4
98.20699	0.5
111.00864	0.7
116.31817	0.5
136.98863	0.4
139.00378	0.5
163.18248	0.4
168.00681	0.8
178.33665	0.4
183.02997	1.7
183.13908	100.0
184.14220	4.0
203.75967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72804	0.3
59.50325	0.3
66.08112	0.3
67.01882	0.5
69.57859	2.2
79.95744	0.4
83.01360	0.4
84.46277	0.3
98.19830	0.3
99.86320	0.3
111.00901	1.0
129.27225	0.3
139.00340	0.6
140.01224	0.4
145.36024	0.3
152.98354	0.4
164.45183	0.3
164.98309	0.6
168.00647	0.8
183.03046	1.6
183.13910	100.0
184.14247	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	184.9857
Annotation	D-Glycerate 3-phosphate
Peak:m/z	Relative Intensity
69.03462	4.3
71.57877	0.4
71.58308	0.4
78.38955	0.2
78.95908	100.0
79.95722	1.4
81.95307	0.8
82.02982	0.4
83.47758	0.3
85.02917	0.4
87.00882	0.7
93.01035	0.2
95.01395	3.3
96.96968	96.0
97.02973	1.5
97.06606	0.7
98.02477	0.4
99.00909	0.3
99.92596	0.8
110.91718	0.3
110.98538	0.9
111.00896	0.4
111.04478	0.3
114.05566	0.4
115.92072	2.2
123.00885	4.8
123.04536	0.5
124.03993	0.3
136.01682	0.7
139.00429	0.4
141.01953	2.8
141.03810	0.4
141.05571	0.5
142.05096	0.7
142.08714	0.4
147.96500	0.3
157.03435	0.4
159.13625	0.2
166.97446	1.7
166.99907	1.2
167.03529	0.4
184.98564	7.5
185.01079	0.6
185.04492	0.3
185.11765	0.3
186.07741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03441	1.1
58.00598	1.2
59.01383	27.2
60.00369	0.5
67.01896	0.6
71.01386	43.4
71.60229	0.9
72.01725	0.6
72.99306	4.9
73.02959	3.9
79.95748	8.9
83.01392	1.5
85.02963	2.3
87.00880	100.0
88.01209	1.4
93.13076	0.7
96.96016	1.0
96.99330	0.7
99.00887	0.7
112.98804	2.6
113.02436	0.6
115.00380	97.1
116.00704	1.5
133.02975	1.6
158.47958	0.6
174.88976	1.1
175.02486	25.4
176.03534	0.6
192.04274	6.8
193.04575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.2
61.98832	0.4
65.40319	0.1
69.96803	0.3
69.97195	0.3
79.95739	0.2
119.93722	0.8
134.96095	25.1
135.96150	1.5
136.94016	100.0
137.94083	5.9
138.94496	0.2
148.30083	0.2
151.92726	14.5
152.92815	1.0
154.95102	0.4
161.04654	0.2
169.59669	0.1
178.95067	53.6
179.95154	3.3
196.96140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01381	0.3
63.36071	0.1
68.99827	0.1
69.67416	0.6
70.63639	0.1
71.01385	0.5
73.02969	0.1
81.03463	0.1
83.01384	0.1
85.02963	0.3
87.00885	1.2
89.02464	0.2
89.03986	0.3
91.05563	0.4
93.03482	0.3
97.03010	0.1
99.00911	0.3
101.02483	0.2
106.04248	0.2
107.05030	1.6
108.02186	0.2
109.02975	0.2
117.01970	0.2
117.03490	0.6
121.02982	0.1
123.04525	0.1
125.02476	0.2
133.02982	0.1
134.03760	6.4
135.04541	100.0
136.04872	3.5
141.01906	0.1
151.04039	0.2
161.04585	0.7
164.01198	0.3
179.03516	15.7
179.05504	0.6
180.03842	0.6
197.98862	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	179.0562
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
53.15382	1.1
54.91438	1.1
56.05554	1.0
56.27510	1.1
57.03446	2.1
58.00597	1.7
59.01381	39.4
59.60739	1.0
68.99816	1.3
69.03461	3.1
69.58759	1.2
69.82022	3.8
71.01387	33.0
71.05018	3.4
72.99310	15.3
73.02953	12.1
75.00879	100.0
81.03461	9.1
83.01395	4.6
85.02953	16.0
87.00878	49.4
89.02449	16.0
90.17322	1.2
90.98609	7.1
96.95999	1.8
97.02972	5.7
98.19934	2.1
99.00884	15.6
99.04500	2.6
101.02456	6.0
113.02443	2.9
117.01940	6.8
125.02452	7.8
131.03510	4.6
135.04538	3.5
141.01950	3.4
143.03502	13.6
147.02982	1.3
159.02908	1.2
161.04568	36.5
165.89091	1.0
177.03972	1.1
179.05624	80.4
180.05974	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	182.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13922	0.4
67.01903	0.4
71.01380	2.1
71.58196	0.7
78.98623	0.4
79.95744	24.6
80.96530	2.7
81.95338	0.4
87.03451	0.3
87.54201	0.4
91.62846	0.4
94.02991	1.8
95.01378	0.5
95.95244	5.0
96.96017	100.0
97.95952	0.4
98.95605	1.6
107.61721	0.4
108.02183	72.1
108.04572	1.1
109.02412	3.6
110.02547	0.5
110.03297	0.4
111.00888	1.2
120.99690	2.4
123.00851	0.4
123.03262	0.7
135.61348	0.5
138.01979	0.9
138.05634	3.3
139.00420	1.4
139.04051	0.7
150.97118	1.6
151.27116	0.4
152.01163	32.3
152.98418	0.9
153.01480	2.1
160.01103	0.6
164.98584	4.4
168.00627	0.5
182.00543	8.6
182.04669	0.7
182.50729	1.4
182.99652	5.1
183.03322	4.9
194.99707	9.7
195.01558	0.5
196.00044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	100.0
59.03323	0.9
68.99794	0.4
69.03458	1.1
70.02980	0.4
72.01031	0.3
74.35452	0.3
83.01412	0.4
92.89378	0.3
97.02974	0.7
98.19978	1.3
98.20655	0.5
108.04550	0.5
122.89449	0.7
125.02452	11.2
151.00381	0.4
167.34645	0.3
168.13922	8.1
169.01443	3.0
169.14320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
55.26466	0.5
65.43783	0.4
67.01908	0.9
69.03460	5.1
69.55114	2.4
69.55522	0.7
71.01373	0.4
79.01903	1.5
79.95751	1.1
81.03465	2.0
83.01369	0.7
95.01406	0.8
96.95998	0.6
97.02953	3.4
98.20645	0.7
107.01420	0.6
123.00896	0.9
124.01699	1.9
125.02451	100.0
126.02798	2.9
144.61548	0.5
151.81250	0.4
169.01433	26.9
170.01810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
56.27236	0.2
61.62976	0.2
67.01897	0.8
68.99803	0.2
69.03462	5.8
69.03848	0.3
70.03828	0.2
71.01388	0.5
71.22173	0.5
79.01896	1.7
79.95755	0.5
80.96527	0.3
81.03459	2.0
83.01391	0.2
95.01391	1.1
96.96009	0.7
97.02341	0.3
97.02960	4.3
98.90685	0.2
107.01439	0.9
113.02483	0.2
119.49795	0.2
123.00899	0.6
124.01685	1.5
125.02453	100.0
126.02808	2.9
134.48111	0.2
150.97031	0.4
159.84883	0.2
168.98314	0.5
169.01433	26.9
170.01794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
56.35693	0.2
57.14574	0.3
66.42513	0.2
67.01883	0.8
68.66476	0.2
69.03459	4.8
70.01642	1.2
71.28600	0.3
74.32053	0.3
79.01884	1.6
81.03456	2.1
82.55898	0.3
83.01356	0.5
92.04065	0.2
95.01398	0.8
96.16952	0.3
97.02950	3.4
107.01385	0.7
111.79047	0.2
123.00843	0.3
124.01677	1.5
125.02452	100.0
126.02805	2.7
169.01433	33.3
170.01762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
55.01880	0.2
67.01894	0.6
69.03456	5.7
70.01871	0.9
72.72141	0.2
79.01892	1.8
81.03466	2.0
83.01393	0.4
95.01409	0.8
97.02955	4.8
107.01418	0.9
123.00914	0.6
123.34048	0.2
124.01711	1.4
125.02452	100.0
125.46785	0.2
126.02785	2.9
139.41176	0.2
142.41934	0.2
169.01430	27.0
170.01799	1.0
181.01529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00317	3.3
55.01889	7.6
55.90990	0.7
57.03461	4.5
59.01381	5.9
65.98431	0.7
67.01904	4.7
68.99822	3.8
69.86272	3.4
69.86685	1.5
71.01392	100.0
72.01740	2.0
72.99314	4.1
73.02946	5.1
78.73956	0.9
80.99833	2.0
83.01401	11.0
83.05035	1.4
85.02953	7.6
85.06592	1.2
87.00880	5.2
93.03479	2.6
96.99318	4.5
99.00890	32.9
101.02445	1.9
111.00895	45.1
111.04504	1.6
112.98826	36.5
115.00384	3.6
124.98821	34.5
129.01968	2.4
129.05609	1.3
140.98302	1.7
142.99879	72.3
144.00243	1.8
154.99872	2.5
164.16508	0.9
173.00937	13.2
173.04524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
51.22435	1.3
53.00305	2.5
55.01883	6.3
57.03442	2.5
58.82467	1.0
59.01366	6.1
67.01887	2.2
68.99841	2.5
70.78657	2.0
70.78991	2.0
71.01385	100.0
72.01730	1.0
72.99305	4.9
73.02947	5.0
80.99856	1.5
83.01381	6.4
85.02953	3.8
87.00871	4.9
93.03468	2.5
96.99325	5.4
99.00884	37.3
104.14824	1.3
111.00883	3.6
112.98820	24.0
115.00393	4.8
124.97916	2.4
124.98811	37.6
129.01962	1.9
140.88907	1.0
140.98300	2.5
142.99864	91.9
173.00914	15.0
173.04453	1.6
174.07663	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	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03444	1.2
58.00596	1.1
59.01382	25.4
61.36364	0.4
67.01882	1.5
71.01386	39.9
72.99307	4.6
73.02589	0.4
73.02938	2.9
75.81654	0.5
79.95742	24.5
83.01397	1.2
85.02958	3.3
85.06582	0.6
87.00879	94.2
88.01196	1.6
90.56298	0.5
93.03477	0.6
96.96010	8.8
99.00887	1.0
101.02424	0.9
105.03450	0.7
112.98830	2.0
113.02464	1.6
113.06141	0.7
115.00377	100.0
115.04008	1.0
116.00725	1.9
119.05033	0.5
127.00380	1.0
131.05045	1.4
132.05820	1.2
133.02971	4.9
173.09749	1.7
174.88954	2.6
175.02519	22.6
175.04013	1.7
175.06209	0.7
175.07623	0.9
176.03291	0.4
177.01993	1.8
192.04297	15.9
193.04666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.60782	0.7
57.03451	32.1
59.01391	1.1
60.85601	0.5
65.00322	2.5
66.03485	0.8
67.01888	1.4
68.99813	1.8
69.03458	3.9
71.01380	2.0
71.05037	3.1
72.99314	2.6
73.02930	0.6
75.00893	0.8
77.03967	3.2
80.02692	1.1
81.03468	3.2
83.05029	9.8
85.84589	0.6
87.00892	3.1
89.02443	0.8
92.99818	9.2
93.03471	3.8
95.01400	0.6
95.05027	1.9
97.06603	5.5
101.02439	1.0
103.24228	0.6
105.01938	3.1
107.05020	2.1
107.22641	0.7
108.04517	0.7
109.02936	3.2
109.06606	4.1
111.08165	54.1
112.08495	1.9
119.04996	3.4
121.02962	41.5
121.05662	0.8
121.06565	1.3
121.62816	0.5
122.03341	2.4
122.06118	1.0
123.00898	0.7
123.04542	0.9
123.08187	1.0
137.02443	8.1
137.06010	0.9
137.09727	0.9
147.04530	7.3
147.11800	1.2
149.00941	2.0
149.06079	0.6
149.09775	0.7
150.03218	4.0
151.00340	1.2
155.07098	0.7
163.11241	2.8
164.83609	2.6
164.89565	1.7
164.98265	1.2
165.01938	9.0
165.04082	2.1
165.05595	4.1
165.09171	2.3
165.12849	100.0
166.05099	1.8
166.13179	5.8
181.45253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
53.30365	0.4
56.38810	0.4
59.01387	7.7
59.88280	0.4
61.19396	0.4
64.99771	0.5
68.99831	0.6
70.72435	0.9
71.01392	6.7
72.99315	5.1
73.02951	3.1
75.00887	13.5
75.48607	0.4
80.22776	0.5
85.02969	1.1
87.00887	100.0
88.01231	1.9
89.02443	2.8
99.00898	12.6
101.02471	4.1
105.01947	78.3
106.02254	0.8
117.01971	3.2
119.03513	1.1
126.98624	0.4
127.18484	0.5
129.02017	0.6
130.15495	0.5
135.02968	1.4
147.03014	8.2
165.04059	54.0
166.04393	1.2
179.65604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01389	8.6
66.62134	0.5
67.60817	0.5
70.30979	2.1
71.01390	6.9
72.99309	5.9
73.02946	4.1
73.49558	0.5
75.00880	21.5
85.02979	0.8
87.00883	100.0
88.01225	1.3
89.02445	3.2
99.00887	12.2
101.02470	4.9
105.01945	78.8
106.02278	1.1
117.01977	3.4
119.03544	1.3
121.02971	2.0
123.04105	0.5
129.01959	1.8
135.03011	2.2
147.03012	7.2
165.04060	49.6
166.04434	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	163.1126
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
58.24973	1.2
61.98842	2.8
64.01932	1.5
71.61140	1.4
71.61579	1.8
77.78074	1.5
91.01887	2.0
103.66230	1.4
112.82235	1.4
115.92093	1.4
116.92131	2.9
117.91938	2.3
118.99267	2.2
119.01421	1.5
119.05041	95.6
120.04630	1.5
120.05374	6.8
162.83952	13.6
162.89371	2.9
163.00336	3.4
163.04037	7.9
163.06157	1.8
163.11307	100.0
164.11632	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01382	1.5
70.95638	1.2
71.01398	0.6
72.00913	40.1
72.99319	1.1
75.00890	2.5
77.03956	0.7
78.95902	1.3
82.06876	0.5
87.00886	14.5
91.05542	2.1
93.03471	1.6
99.00883	1.6
103.05540	2.0
105.01944	12.3
109.02974	0.6
118.06641	0.6
119.05029	2.8
120.04587	1.0
120.05345	3.0
121.02956	8.3
137.02440	1.9
147.04532	100.0
148.04874	4.4
150.03220	2.2
164.07175	49.4
165.01920	2.2
165.04044	7.8
165.05478	1.2
165.07530	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	153.0559
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
53.29794	0.3
54.75041	0.3
58.10150	0.3
64.31483	0.3
65.00323	0.5
65.03965	0.6
66.03492	0.9
66.56037	0.2
67.01902	0.3
67.03826	0.3
68.99818	0.8
69.03450	0.9
71.01381	0.4
71.31565	0.5
72.99299	0.5
80.96539	0.3
81.03465	3.5
81.82878	0.3
82.02992	1.1
82.03808	0.3
83.01382	1.1
83.05027	0.4
85.02961	0.6
89.02451	1.8
91.01890	0.5
93.03449	1.0
95.01407	1.2
95.05048	2.1
96.96001	1.5
96.99305	0.6
97.02959	1.2
101.08685	0.3
107.01405	0.3
108.02179	5.1
109.02961	49.2
109.06580	1.0
110.00099	6.4
110.02582	0.5
110.03265	2.5
111.00887	0.5
111.04534	0.3
112.04063	0.4
121.02943	0.4
122.03754	2.1
123.00903	0.9
123.04533	100.0
124.01697	0.7
124.04038	2.5
124.04873	4.4
124.98779	0.5
125.01157	0.5
125.01544	0.3
125.02461	4.3
125.06035	0.3
126.01987	0.3
135.04546	1.7
136.04057	1.1
137.02449	0.6
137.99602	5.3
138.03246	0.8
140.66547	0.3
151.00385	1.1
152.01035	0.3
153.01958	19.6
153.05577	17.3
153.09225	0.5
153.12840	0.9
154.01321	0.6
154.02403	0.9
154.04947	1.6
154.06181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
51.05128	0.6
55.01854	0.7
60.79193	0.7
65.00323	2.9
65.03928	0.7
66.03487	2.2
68.99821	0.9
69.03464	2.0
70.02939	3.3
71.05029	1.7
77.63022	0.7
81.03466	5.3
81.66537	0.7
82.02960	1.3
83.01408	2.4
83.05041	1.4
91.01905	0.8
92.05033	1.1
97.02959	1.5
97.06596	16.5
97.07195	1.3
99.08165	4.6
108.02180	8.1
109.02962	100.0
109.06625	1.9
110.00103	4.2
110.03271	5.0
111.04531	1.0
112.04063	0.9
123.04567	0.7
124.01678	1.6
124.04044	2.8
124.98789	0.9
125.02480	4.9
125.09809	0.7
135.04524	2.2
136.03993	1.6
137.09715	2.0
137.99609	3.8
138.03319	1.1
146.21175	0.7
151.00380	2.8
151.11237	0.9
153.01952	32.4
153.05540	3.5
153.12863	50.7
153.86870	5.6
154.01326	1.1
154.02388	1.9
154.05083	2.9
154.13185	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	161.0821
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
51.17455	1.2
55.01876	2.8
57.03453	15.2
58.00599	3.4
59.01382	51.2
65.35062	1.2
69.03449	5.8
69.73273	4.4
69.73682	3.1
71.01387	59.1
71.05026	31.5
72.99322	8.1
73.02953	43.8
75.00871	6.5
79.95740	2.9
81.03469	11.2
83.01398	14.3
85.02956	60.4
87.00880	12.8
87.04523	24.0
87.95893	1.7
89.02452	12.4
90.03511	1.7
96.96028	2.5
97.02965	5.5
99.00873	2.0
99.04523	100.0
101.02436	8.8
104.04352	1.2
111.67229	1.5
113.02462	16.8
113.06128	1.4
115.04021	54.1
115.07648	12.5
115.92078	5.1
117.03468	2.8
117.05579	39.0
118.02972	1.8
118.05974	1.6
125.02435	1.6
129.01982	1.5
130.61177	1.5
131.03503	28.7
133.02980	3.1
147.10707	1.3
159.02989	1.7
160.84193	2.3
160.89252	10.9
161.02496	10.7
161.03470	1.5
161.04588	42.4
161.06050	4.1
161.08202	98.6
161.89395	5.0
162.01978	4.4
162.08542	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	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01398	0.3
60.12509	0.2
63.34839	0.2
69.41427	0.5
69.41834	1.9
71.01393	0.3
91.01863	0.7
91.05553	0.5
93.03476	1.3
108.04585	0.3
119.05032	100.0
120.04524	0.4
120.05356	4.0
135.00830	0.4
135.04475	0.3
162.89345	1.1
163.00375	1.1
163.04021	6.8
163.06125	0.4
163.07669	0.3
164.04445	0.5
173.47878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-ribulose
Peak:m/z	Relative Intensity
57.03440	2.5
58.00595	3.6
59.01382	48.8
61.24215	1.6
63.93871	1.8
69.86024	1.8
71.01391	34.6
71.26254	4.6
72.99315	85.2
73.02953	27.1
73.80847	1.7
75.00880	9.3
85.02952	7.1
87.00880	100.0
88.01260	2.3
88.04195	1.7
89.02451	94.8
90.02834	3.4
92.91502	1.9
101.02460	3.4
103.00371	14.2
103.04035	8.5
105.01932	6.7
119.35212	1.8
130.99879	2.4
131.03470	9.8
149.00929	50.2
149.02057	3.8
149.04568	41.0
150.01237	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	149.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
58.00595	3.6
59.01382	48.8
61.24215	1.6
63.93871	1.8
69.86024	1.8
71.01391	34.6
71.26254	4.6
72.99315	85.2
73.02953	27.1
73.80847	1.7
75.00880	9.3
85.02952	7.1
87.00880	100.0
88.01260	2.3
88.04195	1.7
89.02451	94.8
90.02834	3.4
92.91502	1.9
101.02460	3.4
103.00371	14.2
103.04035	8.5
105.01932	6.7
119.35212	1.8
130.99879	2.4
131.03470	9.8
149.00929	50.2
149.02057	3.8
149.04568	41.0
150.01237	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
61.78703	0.2
65.00349	0.5
66.03494	1.3
67.01886	0.3
68.99855	0.3
69.38245	1.1
69.38673	1.2
76.26948	0.3
81.03471	0.7
83.01392	0.4
94.93171	0.3
95.01365	0.3
98.19896	0.5
106.69542	0.3
108.02178	1.6
108.04570	0.8
109.02965	17.8
110.00112	0.9
121.02982	0.9
122.03753	41.6
123.04073	1.9
125.02409	0.7
135.04497	0.3
137.01994	0.6
137.99666	0.5
151.00356	0.3
152.03545	100.0
153.01973	5.0
153.03891	4.5
153.05598	0.6
154.65851	0.2
164.98238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
53.26500	0.3
54.04123	0.3
55.36513	0.5
60.99997	0.3
65.99852	0.7
70.89658	0.7
102.03513	1.6
116.05061	1.0
138.44234	0.3
144.04561	100.0
144.96463	0.5
145.04921	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03437	14.9
58.34800	3.5
59.01374	5.8
69.18188	3.5
70.56134	9.9
71.01371	13.3
73.02962	8.0
74.02490	5.1
83.01398	8.8
87.00884	5.8
99.00883	11.1
101.02441	40.8
102.05614	100.0
110.02448	6.0
115.00357	4.1
128.03539	40.4
145.01408	7.4
146.04573	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	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
55.01880	3.9
57.03437	14.9
58.34800	3.5
59.01374	5.8
69.18188	3.5
70.56134	9.9
71.01371	13.3
73.02962	8.0
74.02490	5.1
83.01398	8.8
87.00884	5.8
99.00883	11.1
101.02441	40.8
102.05614	100.0
110.02448	6.0
115.00357	4.1
128.03539	40.4
145.01408	7.4
146.04573	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	149.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.0
59.01388	38.3
59.83848	2.1
62.76001	2.3
66.29850	2.2
71.01395	30.8
71.16927	4.5
72.99317	77.7
73.02947	18.4
75.00885	10.2
85.02963	4.3
87.00884	100.0
88.01256	4.0
89.02459	68.3
90.02792	4.2
103.00359	6.1
103.04012	5.8
105.01926	6.0
125.04540	2.7
126.55067	2.2
131.03496	4.7
149.00923	39.1
149.04575	34.5
150.01303	3.1
150.87526	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	149.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67424	3.1
53.83955	2.7
59.01385	24.4
70.26419	10.9
72.99320	86.7
81.30512	3.2
82.76268	2.9
85.97915	3.5
87.00887	100.0
103.00380	11.4
105.01958	7.6
130.99878	3.9
148.99828	5.2
149.00931	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0093
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
50.68341	1.2
59.01385	37.4
63.88523	1.2
71.01391	13.8
71.35369	2.0
72.99312	91.1
73.02941	6.9
73.99673	1.7
74.72261	1.4
75.00880	6.6
75.72734	1.3
85.02956	2.4
87.00883	100.0
88.01225	1.7
89.02450	29.7
103.00372	10.2
103.04026	3.6
105.01933	5.5
107.86761	1.3
130.99886	2.5
131.03508	2.7
136.37444	1.3
149.00923	51.4
149.04559	14.2
150.01289	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	136.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60980	0.4
56.17606	0.4
57.09451	0.4
62.34438	0.4
69.57120	2.8
70.03180	0.4
74.99101	5.3
75.00878	0.8
77.01310	1.7
79.95744	2.6
81.03498	0.5
93.03464	16.7
94.03046	0.6
94.03778	0.8
95.95231	0.6
108.02182	1.4
109.03016	0.8
120.94588	0.6
126.65563	0.4
136.01680	0.8
136.94019	100.0
137.02460	8.3
137.03484	0.7
137.94095	8.6
138.01968	1.8
138.93700	1.5
151.92757	1.3
153.92453	2.8
154.95081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01891	0.4
55.14199	0.3
69.43050	3.0
89.09379	0.4
94.03774	0.6
95.01372	0.7
108.02178	71.7
109.02513	3.0
111.00884	0.9
123.81988	0.4
138.01974	100.0
139.00410	0.5
139.01460	0.5
139.02335	5.6
146.29182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0039
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
55.01884	12.4
61.30405	1.0
65.00338	1.7
67.01897	17.3
68.99494	1.1
68.99807	5.5
69.03457	1.3
70.14069	4.9
70.14421	1.8
71.01397	2.5
74.56712	1.0
76.16960	1.1
83.01398	22.4
94.98160	1.1
95.01389	12.8
95.05030	1.7
96.01699	1.0
96.96012	3.3
96.99319	1.2
97.02972	1.3
97.37542	1.2
111.00891	100.0
111.04532	1.1
112.01225	4.9
112.25819	1.0
124.01680	4.8
139.00391	45.2
139.03998	5.5
140.01212	6.2
140.03508	2.0
144.13980	1.3
157.24731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28631	2.9
53.00317	20.1
53.99157	3.2
57.31531	3.3
57.62840	3.3
59.01391	6.1
60.39175	3.0
68.99828	6.0
69.12176	3.5
69.45476	24.2
71.01387	41.5
72.56189	3.5
80.99833	8.5
84.83215	3.6
87.00884	9.0
96.99313	33.0
100.63185	3.7
106.67935	3.8
112.98827	36.9
124.98805	75.4
125.99157	3.8
140.98314	9.9
142.99873	100.0
144.04568	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57630	3.0
53.00314	28.7
57.68587	2.8
59.01374	5.4
62.87373	3.1
68.99843	3.7
71.01389	37.3
71.35086	5.5
80.99815	7.9
81.03442	3.1
87.00881	11.0
96.99309	25.6
106.99082	3.0
112.30428	3.3
112.98801	38.5
115.00365	5.2
116.16393	3.4
124.98811	64.2
140.98294	12.5
142.99864	100.0
144.00223	4.3
144.04556	6.6
153.24200	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
54.54124	2.0
55.01874	3.3
57.03455	18.6
67.01897	39.3
68.99824	21.4
71.01376	6.2
71.36700	2.8
72.99309	9.3
73.02937	8.6
74.31935	2.1
83.01397	4.7
85.02958	14.8
86.68776	2.5
87.00887	5.4
88.04057	3.7
99.00841	3.3
101.02488	4.3
111.00887	2.4
129.01932	24.9
130.08751	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	129.0559
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
51.21914	9.0
55.01875	26.8
57.03443	41.2
59.01374	31.3
65.01466	11.7
67.01891	43.8
68.99822	21.4
71.01388	35.2
72.99332	28.4
73.02942	29.5
79.95744	42.1
83.01398	16.7
83.05032	27.1
85.02965	84.9
85.06597	10.5
87.00870	18.0
88.04045	30.7
101.02452	26.8
111.00894	30.2
111.04535	17.4
112.90675	11.8
128.90161	100.0
129.01945	79.3
129.05594	52.1
130.08736	66.4
144.35641	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	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03451	4.8
59.01386	2.1
65.11376	1.2
66.48592	1.3
69.03496	1.7
70.27383	5.6
71.01387	5.8
73.02944	12.1
75.00883	1.7
77.66274	1.4
78.75939	1.4
85.02966	13.9
87.04516	11.5
88.04047	9.5
101.02452	1.7
107.46372	1.3
109.64291	1.5
113.02451	1.9
113.06202	1.5
130.08746	100.0
130.28485	1.7
131.03508	8.1
131.09085	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71276	1.0
59.01382	1.3
66.64560	1.0
67.23307	1.2
70.78912	2.1
70.79234	1.6
71.01388	78.6
72.01723	1.8
72.99312	15.6
87.00918	1.7
89.02450	9.7
115.00378	100.0
116.00725	3.9
133.01434	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
52.00645	0.9
57.33894	0.9
59.01380	2.1
60.18046	0.7
70.92431	2.1
71.01388	76.1
72.01715	2.0
72.99314	19.0
87.00848	0.9
89.02464	8.4
92.23182	0.7
97.08858	0.9
109.55289	0.8
115.00381	100.0
116.00727	3.9
133.01443	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Threonate
Peak:m/z	Relative Intensity
58.92147	0.9
59.01390	17.1
61.73866	0.9
65.34943	1.0
70.47948	2.4
71.01054	0.9
71.01383	6.8
72.99314	19.1
73.02952	4.1
75.00884	100.0
76.01227	1.9
79.16544	1.4
87.00892	75.9
88.01187	1.8
89.02457	8.8
96.80775	1.0
98.20547	1.0
99.92615	1.0
117.01971	1.6
126.02958	1.2
134.86557	4.3
134.88390	7.4
134.89500	7.9
135.01979	2.3
135.03024	44.3
135.04529	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	120.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96245	1.1
66.03497	2.8
71.60787	1.2
91.01901	1.3
93.03455	5.8
94.02990	25.2
95.01384	1.1
108.02187	2.8
120.99657	12.3
121.02961	100.0
121.06588	1.4
122.02484	18.0
122.03305	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	121.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03489	2.8
69.69067	6.7
71.10056	0.9
93.03460	5.6
94.02989	17.3
108.02210	2.1
121.02966	100.0
122.02480	14.1
122.03320	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
66.03489	2.8
69.69067	6.7
71.10056	0.9
93.03460	5.6
94.02989	17.3
108.02210	2.1
121.02966	100.0
122.02480	14.1
122.03320	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	124.9915
Annotation	Dimethyl sulfate
Peak:m/z	Relative Intensity
55.20464	0.1
56.46897	0.1
57.03432	0.1
57.35792	0.1
64.01900	0.1
67.01881	0.2
68.72669	0.1
69.03453	0.8
79.95743	4.7
81.03469	0.6
82.02985	1.1
83.01398	0.1
88.41608	0.1
95.95243	0.2
96.96014	100.0
96.99290	1.3
97.02966	0.6
97.95931	0.7
106.97208	0.1
110.00082	0.3
124.99152	25.6
125.02438	3.6
125.99458	0.5
126.01981	0.3
126.02830	0.2
141.29086	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	125.0246
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
53.84398	1.1
54.65567	1.0
66.62069	1.0
67.01878	1.5
69.03463	16.4
69.67221	7.3
77.45657	1.2
79.01891	2.0
80.16511	1.1
81.03461	3.0
94.74757	1.1
95.01381	3.2
97.02962	9.9
107.01434	1.7
123.00879	1.3
124.01700	3.1
125.02456	100.0
126.02781	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	129.0196
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01865	10.2
57.03449	53.7
59.01382	6.9
67.01897	98.3
68.99809	9.3
69.72601	32.6
71.01395	21.4
79.95744	17.4
83.01395	7.6
85.02956	100.0
86.03280	6.8
87.00868	6.8
88.04055	11.8
101.02443	10.3
109.03561	6.1
129.01965	37.9
148.57501	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01879	3.5
57.03465	18.9
66.56051	3.0
67.01900	50.7
68.99828	4.2
70.56388	9.8
70.56748	3.8
71.01396	4.9
72.99328	5.0
79.95750	13.5
83.01389	4.4
83.33991	3.1
85.02961	100.0
85.70432	2.9
88.04032	12.2
91.99776	3.3
96.59985	3.2
101.02460	9.9
112.98014	3.0
129.01978	21.6
133.02992	4.1
142.37556	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	1195.7001
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	1.6
83.05017	0.4
89.02486	0.1
93.03460	0.2
95.01398	0.2
95.05027	0.4
101.02482	0.1
107.01387	1.1
107.04955	0.1
109.03009	0.2
109.06599	0.2
111.00964	0.1
113.02448	0.1
122.03713	0.4
123.04532	3.0
123.08176	0.1
124.01677	0.5
125.02451	3.9
135.04500	0.4
137.02417	0.2
137.06046	0.2
149.02382	0.1
151.00368	1.8
152.01109	0.3
161.02380	0.2
162.03252	0.7
163.40604	0.1
166.02682	0.6
167.03499	1.7
175.03877	0.1
179.03491	1.2
188.04871	0.1
188.15477	0.1
193.05038	0.1
201.05577	0.1
203.14433	0.2
203.18021	0.1
205.15984	1.5
209.11833	1.4
227.13013	0.2
229.15869	0.2
233.08115	0.1
235.08215	0.2
243.17537	0.1
243.68369	0.1
245.19138	0.5
247.17044	1.0
255.23289	0.7
269.19122	0.2
287.20169	11.1
288.20590	0.6
313.18109	2.4
314.18423	0.2
331.19144	100.0
332.19473	6.8
333.19781	0.1
379.12537	0.3
397.13541	0.7
415.14362	0.1
974.56720	0.1
1124.15161	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	1175.6737
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	1.4
83.01431	0.2
83.05025	2.3
84.02199	0.2
84.38689	0.2
85.02967	0.8
87.00882	0.8
89.02452	0.7
93.03475	0.4
95.05039	0.5
96.96027	0.4
97.02967	2.1
97.06597	0.3
99.00912	0.5
101.02469	1.7
105.65110	0.2
107.05017	0.4
109.06605	7.8
110.03754	0.4
111.04523	0.3
113.02464	1.0
119.03507	0.3
121.02901	0.2
121.06596	0.6
123.08149	0.6
125.02438	0.5
125.06083	0.3
125.09722	0.9
125.15268	0.2
135.08170	1.1
136.05295	0.6
142.02751	0.6
144.77678	0.2
145.05035	0.6
145.10255	0.2
161.04561	1.0
161.09721	0.9
163.11288	6.6
164.11557	0.2
164.93250	0.2
165.09241	0.3
165.12796	0.8
171.10294	0.5
175.11317	0.4
177.13045	0.2
179.05649	0.2
179.10904	0.3
181.12390	1.7
185.11853	1.4
187.09746	0.3
189.09164	1.0
189.12881	0.3
191.10773	0.6
207.10280	27.9
208.10638	0.8
209.11839	49.4
210.12192	2.1
221.11902	0.6
223.13437	0.4
225.11330	12.9
226.11615	0.5
227.12895	9.3
228.13086	0.3
229.12401	0.3
231.10199	0.9
235.08232	2.3
243.12389	0.4
245.00873	0.2
247.13390	0.4
249.11331	1.0
253.09312	6.3
254.09697	0.3
263.13022	0.5
265.14398	1.0
281.13910	0.3
285.50461	0.2
299.15048	0.5
300.99942	0.6
355.22845	0.5
361.25372	0.5
363.26883	3.1
373.19919	0.3
373.24319	0.9
375.27063	0.7
377.24634	0.5
377.28589	1.9
379.30005	4.0
380.30289	0.3
381.20813	0.5
381.31723	0.3
387.27112	0.7
389.24237	0.8
389.29007	0.3
391.25854	0.3
391.30164	2.9
392.30582	0.3
393.27402	0.5
393.32108	1.5
399.21802	4.3
401.28494	1.9
403.30072	1.1
405.17612	0.3
405.28134	0.6
407.29074	1.8
409.31186	21.6
410.31662	1.8
411.28714	0.5
411.33359	0.3
417.22806	4.0
417.28024	1.4
418.24197	0.3
419.29538	1.7
421.31171	7.0
422.31470	0.9
423.29016	1.5
425.30573	1.0
435.23721	0.4
435.29126	1.3
437.30597	0.2
439.32065	1.2
441.33826	4.7
442.34314	0.3
443.19339	3.2
443.31784	0.8
444.19302	0.4
445.20770	2.3
446.21631	0.3
453.30145	11.6
454.30576	1.2
457.33337	7.0
458.33511	0.6
461.20294	6.5
462.20685	0.6
467.19553	0.3
473.32709	3.8
474.33249	0.3
477.47778	0.2
485.20612	0.6
485.32773	9.0
486.33130	1.0
491.26935	0.5
499.22394	0.3
503.33832	100.0
504.34164	9.8
505.35486	0.2
609.29016	1.2
617.29108	0.3
625.32361	0.6
627.29926	1.2
635.30768	32.3
636.31085	3.7
653.31818	33.5
654.32178	3.6
671.32880	38.7
672.33185	4.1
1003.79950	0.2
1165.92310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.294
Annotation	Unknow
Peak:m/z	Relative Intensity
82.52901	0.1
83.01376	0.2
95.95014	0.1
98.19844	0.2
107.01385	0.9
108.02184	1.1
109.02968	0.2
109.05427	0.1
121.02963	0.2
135.00922	0.4
146.43391	0.2
148.01695	0.9
151.00363	3.7
163.00389	0.9
164.01112	0.4
165.01884	0.1
169.01419	0.4
171.04521	0.2
178.99857	2.2
183.04518	0.3
187.03998	0.2
199.03998	0.7
201.01973	0.3
202.02538	0.2
203.03506	0.2
211.03973	0.4
213.05547	0.1
215.03452	0.6
216.04268	0.4
226.02753	1.2
227.03503	1.9
228.03995	0.3
229.01459	0.3
243.02972	9.3
244.03505	0.6
245.04474	0.2
254.02243	2.0
255.02982	23.7
256.03360	1.3
257.04269	0.2
271.02466	54.6
272.02930	4.0
273.03738	0.2
283.02213	0.2
299.02008	2.3
300.02744	100.0
301.03265	7.8
302.03961	0.2
325.03360	0.2
355.04498	0.3
411.07089	0.2
429.07788	0.2
447.09094	0.2
497.09052	0.2
579.13550	76.7
580.13867	6.7
593.15106	36.2
594.15491	3.4
1111.60388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.4
98.20597	0.5
107.01393	1.4
108.02173	0.9
109.02953	0.3
113.94505	0.1
119.73350	0.1
120.02187	0.1
121.02973	0.5
123.00826	0.1
124.01659	0.3
125.02416	0.2
135.00883	0.5
148.01651	0.9
149.02570	0.1
151.00378	4.9
152.01112	0.3
163.00354	0.7
164.01170	0.5
169.01460	0.3
171.04462	0.2
175.04016	0.1
178.99867	4.0
183.04544	0.2
185.02448	0.1
187.04030	0.3
190.99841	0.1
192.00635	0.1
193.01619	0.1
198.03169	0.2
199.03963	0.8
201.01939	0.2
203.03445	0.4
211.03996	0.4
213.01807	0.2
214.02768	0.3
215.03577	0.8
216.04262	0.4
226.02733	1.3
227.03487	2.1
228.03996	0.1
229.01411	0.3
229.77193	0.2
232.03824	0.1
242.02220	0.4
243.02982	9.4
244.03552	0.5
245.04422	0.2
254.02219	2.0
255.02986	23.7
256.03412	1.3
259.02484	0.4
270.01651	0.2
271.02478	56.0
272.02917	3.7
273.03949	0.3
287.02017	1.1
298.98660	0.2
299.02008	2.9
300.02750	93.4
301.03317	9.4
302.03833	0.2
303.05103	0.2
316.02219	4.5
317.02814	0.4
325.03403	0.3
340.36066	0.1
343.04633	0.1
350.04269	0.1
355.04413	0.4
392.12906	0.1
397.39401	0.1
429.08353	0.4
565.11987	22.8
566.12323	1.7
609.14594	100.0
610.14886	8.6
690.41852	0.1
740.21161	0.1
1000.73077	0.2
1160.01282	0.1
1177.85742	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66076	0.4
55.01876	0.5
56.97058	0.3
71.29417	0.7
73.02950	100.0
74.03288	3.5
90.53545	0.3
94.25913	0.4
99.00886	7.5
99.92571	2.0
116.92875	6.5
117.01945	12.9
117.92898	0.5
118.02306	0.8
138.32524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71059	0.5
55.01879	0.6
59.01377	1.1
69.30548	5.0
71.01389	0.8
71.05027	44.8
71.22859	0.5
72.05361	1.7
73.02952	52.4
74.03291	1.2
82.52617	0.4
86.45454	0.4
88.68600	0.4
99.00888	5.1
99.04540	0.5
99.92593	40.5
100.92597	4.9
116.92869	100.0
117.01954	7.7
117.05586	16.0
117.92873	13.0
118.05891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01881	0.6
60.31303	0.3
70.19446	1.1
71.01389	0.5
73.02956	100.0
74.03297	2.7
89.01742	0.3
90.83527	0.3
95.14474	0.3
99.00887	8.0
99.92606	2.7
100.92609	0.4
116.92883	6.0
117.01955	13.2
117.92937	0.5
118.02307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
70.56746	3.2
70.57116	3.0
71.01389	100.0
71.05016	1.4
71.27077	1.5
72.01746	2.6
75.49904	1.3
76.99137	1.5
89.49223	1.6
99.67442	1.5
105.92255	1.4
108.65766	1.5
115.00379	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56746	3.2
70.57116	3.0
71.01389	100.0
71.05016	1.4
71.27077	1.5
72.01746	2.6
75.49904	1.3
76.99137	1.5
89.49223	1.6
99.67442	1.5
105.92255	1.4
108.65766	1.5
115.00379	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	1151.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	2.4
83.01394	5.1
85.02956	0.5
86.09953	0.2
89.02438	0.6
93.03465	2.8
95.01407	1.2
95.05016	2.8
97.02954	5.8
97.06582	0.4
99.04502	0.3
101.02431	0.9
102.80550	0.3
107.05048	0.4
108.02200	1.7
109.02956	20.7
110.03256	0.3
113.02463	0.4
117.03472	0.7
119.04996	0.4
120.02203	0.3
121.02953	4.6
122.03724	1.2
123.00870	0.5
123.04533	13.4
124.01681	0.3
124.04848	0.3
125.02447	14.5
126.02770	0.4
131.05026	0.3
133.02956	1.1
133.06670	0.3
135.00912	0.4
135.04520	2.8
137.02448	19.0
138.03152	1.0
139.03008	0.4
139.04018	5.3
143.05014	0.4
145.02957	1.4
146.03769	2.4
147.04488	0.8
149.02458	5.1
149.06107	0.4
149.93091	0.3
150.03198	0.9
151.04021	7.6
157.06580	0.7
158.03726	0.6
159.04523	4.4
160.05307	2.1
161.02457	2.9
161.06079	7.6
162.03210	2.6
163.00366	2.2
163.04045	1.7
163.11311	0.4
164.01160	4.8
165.01929	4.7
165.05574	0.6
166.02615	0.4
167.03519	2.7
173.02394	0.5
173.06088	1.3
174.03235	1.0
175.03995	3.7
175.07625	2.6
176.01115	0.7
177.01945	2.9
177.05577	1.1
178.02718	0.4
179.03502	7.1
184.05333	0.6
185.06139	1.3
186.06760	0.3
187.04008	6.9
188.04787	5.1
189.05528	0.4
190.02721	0.5
191.03503	0.5
197.11819	0.4
199.07600	1.0
201.05568	1.1
202.06380	2.5
203.03505	1.2
203.07141	18.6
204.04002	0.3
204.07504	0.7
205.05052	11.6
206.05334	0.3
207.10214	0.3
211.03928	0.3
212.04770	1.0
215.06900	0.2
217.05110	0.6
217.08781	0.7
221.08226	2.8
221.11710	0.3
223.13420	1.1
225.11443	0.5
227.07132	2.8
229.05061	0.6
230.05913	1.1
231.03046	1.2
234.89926	0.3
235.07970	0.3
243.06543	0.3
245.08195	22.1
246.08513	1.2
247.06192	1.8
255.23323	5.2
265.14691	0.5
271.06165	1.2
289.07190	69.6
290.07629	2.7
291.12396	0.4
297.24277	0.3
301.00125	0.4
309.20795	0.4
367.94150	0.3
435.18570	0.5
457.41925	0.3
497.18176	0.8
519.86115	0.3
545.23828	0.3
771.03754	0.3
889.56805	0.3
932.32581	0.3
945.50153	1.0
987.53094	0.3
999.51721	6.8
1000.52087	0.9
1107.54944	1.4
1133.55322	5.4
1134.55432	1.1
1151.56470	100.0
1152.56641	21.2
1190.21936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7468
Annotation	Unknow
Peak:m/z	Relative Intensity
87.02679	0.1
96.96027	0.2
98.37157	0.1
125.02430	0.2
135.04472	0.1
145.89394	0.1
165.02046	0.1
169.01355	0.1
186.48167	0.1
209.11882	0.1
224.51318	0.1
249.03841	0.1
275.01965	0.1
300.99951	0.5
363.27002	0.1
377.28384	0.1
379.30188	0.3
391.30060	0.1
393.31754	0.1
407.29739	0.1
407.71033	0.1
409.26187	0.1
409.31250	0.7
421.30887	0.3
437.27048	0.1
469.29385	0.1
487.34286	100.0
488.34622	9.1
649.39215	0.2
908.34222	0.1
1137.45483	0.2
1137.74438	1.8
1138.51624	0.1
1138.74670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95763	0.1
83.01382	0.5
85.02959	0.8
86.00083	0.1
87.00838	0.2
89.02413	0.1
95.01385	1.2
96.96018	3.9
97.02955	0.4
99.00901	0.2
101.02444	0.7
101.28857	0.1
105.76007	0.1
107.01392	2.2
109.02927	0.1
110.00092	0.1
111.00889	1.6
113.02444	0.6
123.00894	6.9
123.04491	0.1
124.01677	0.4
125.02457	7.6
126.02777	0.2
127.00367	0.5
135.04512	0.2
136.98811	0.7
137.02426	0.2
139.00378	2.8
139.01405	0.2
140.01172	2.1
141.01974	0.9
141.16559	0.1
149.02455	0.1
151.00380	5.0
151.04001	0.2
153.01929	0.4
154.99934	0.1
159.61383	0.1
161.02419	0.1
163.04034	0.2
165.01965	0.1
168.00650	2.2
169.01436	9.1
170.01813	0.2
177.02072	0.1
179.03526	0.2
181.05069	0.3
190.02702	0.1
211.02438	1.1
223.02328	0.1
253.03667	0.1
271.04718	0.7
275.01962	0.2
291.09100	2.3
292.09393	0.2
301.00018	0.5
303.08475	0.1
313.05603	1.0
373.18607	0.2
483.18713	100.0
484.19067	7.2
503.33569	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	1133.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01403	0.3
92.80944	0.2
105.86450	0.2
107.01383	0.9
124.01671	1.4
124.02440	0.2
125.02451	0.3
135.00847	0.3
136.01704	0.4
137.02423	0.4
148.01668	0.2
151.00388	3.1
152.01158	0.7
163.00365	0.7
164.01173	1.2
169.01436	0.3
178.98399	0.3
178.99864	4.1
181.28535	0.2
184.76259	0.2
187.04054	0.3
190.02650	0.2
203.03506	0.8
204.04242	0.4
214.02715	5.1
215.03462	0.5
217.01483	0.2
219.02969	0.2
227.03415	0.5
229.50107	0.2
231.03041	0.5
232.03828	0.5
241.01443	0.2
242.02209	4.6
243.02959	2.7
244.03613	0.2
259.02487	4.8
260.03046	0.2
270.01721	5.0
271.02484	30.5
272.02893	1.4
274.01202	0.3
287.01987	19.6
288.02618	2.0
315.01364	1.1
316.02240	79.1
317.02753	6.6
537.19910	0.5
595.13074	100.0
596.13361	8.5
753.07922	0.2
767.16962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.7015
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02663	0.6
80.96532	1.0
81.03458	1.1
83.01402	0.6
84.02174	0.5
85.02955	9.3
87.00886	2.8
89.02449	1.4
95.01404	2.4
99.00892	5.1
103.00374	0.6
107.83791	0.4
112.21177	0.5
113.02452	10.3
115.00370	1.3
117.01966	1.8
121.63374	0.5
129.01967	0.6
129.41487	0.5
135.08133	0.7
142.57774	0.5
163.11285	2.5
165.12883	1.1
175.02480	1.3
191.10831	0.7
209.11833	38.0
210.12224	1.5
227.12880	2.7
249.06146	1.1
255.23297	28.3
256.23703	1.5
262.59134	0.5
263.96411	0.5
267.07379	0.5
275.13428	0.5
341.24979	2.5
385.23874	12.0
386.24197	1.5
411.24634	0.5
477.19977	0.7
715.29572	1.0
715.42743	47.8
716.42853	7.0
747.45410	100.0
748.45648	15.4
898.81323	0.6
1133.64392	2.1
1134.66052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.654
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95915	15.8
81.03458	0.8
83.05042	4.2
84.02138	0.7
96.96975	1.6
98.19844	1.7
107.48911	0.7
120.67706	0.6
150.98039	0.8
152.99608	24.5
163.11313	3.5
165.12868	2.2
171.00645	2.4
191.10814	1.3
209.11852	64.9
210.12148	2.5
227.03209	3.2
227.12898	5.9
244.67636	0.7
245.04254	1.2
253.21776	6.4
274.17014	0.6
363.11908	1.2
437.15848	2.6
455.17062	5.7
487.19562	28.8
488.20129	1.7
691.38544	3.8
723.40961	100.0
724.41315	10.7
968.00830	1.0
972.52020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
52.75156	3.0
55.01878	7.9
67.01898	70.3
68.02232	3.4
69.64222	17.4
69.64626	4.3
78.95931	3.1
83.01391	17.6
83.05679	2.4
98.20594	5.7
110.97578	5.1
111.00903	100.0
112.01221	7.2
124.71889	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43707	1.6
55.01882	15.3
67.01896	56.9
68.02219	2.4
68.53229	1.3
71.01356	2.0
71.23006	3.4
78.95912	7.2
79.95753	2.3
83.01395	49.4
84.01722	3.4
110.97590	8.3
111.00887	100.0
112.01225	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	1101.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.2
89.66348	1.1
91.61093	1.2
93.03474	1.7
95.01391	10.0
97.02950	1.6
98.20690	1.1
100.83632	1.3
107.05060	1.9
109.02974	2.9
111.00912	1.7
115.05514	1.9
117.03491	2.0
119.05031	4.2
121.02963	2.7
123.00911	19.1
123.04472	1.2
124.01674	6.0
125.02462	18.5
130.04271	1.5
131.05025	4.6
133.02982	3.0
135.04549	1.9
137.02473	2.1
143.04945	1.9
145.02956	5.3
147.04535	9.2
149.02449	4.7
149.06036	1.3
149.70654	1.5
151.04033	2.1
157.02931	1.4
157.37447	1.1
158.03732	3.8
159.04536	16.0
161.02448	4.9
161.06082	1.3
162.03268	1.8
163.00365	1.4
163.04077	6.0
164.01161	1.7
165.01936	1.8
165.05637	2.0
165.28720	1.3
169.06749	1.2
173.02460	2.8
174.03235	3.3
175.04018	19.4
177.01927	11.4
177.05606	3.4
179.03563	1.2
179.07173	3.0
185.02473	4.4
187.03957	8.2
188.45659	1.2
189.01938	4.3
190.02765	6.0
191.03506	6.1
193.01421	2.6
199.03989	1.9
201.01990	7.7
202.02705	3.3
203.03523	38.2
204.03911	1.8
205.05075	4.1
211.04071	2.7
213.01970	2.8
213.05519	1.3
214.02716	5.6
215.03554	1.3
217.01465	1.9
217.05017	2.0
219.02945	3.1
221.04407	6.5
224.04871	1.5
225.05634	1.8
227.03503	5.2
227.07101	1.2
228.04282	2.2
229.01428	10.9
229.05127	2.4
230.02162	3.1
231.03004	53.0
232.03523	2.1
239.03526	2.5
240.04362	1.8
241.05025	2.9
242.02148	3.0
242.05777	1.3
243.02971	3.5
245.00964	3.1
247.02409	2.8
248.03183	3.4
249.04041	100.0
250.04364	2.7
251.03450	1.7
252.04282	1.5
253.05107	2.3
255.02983	3.9
255.06619	1.8
256.03809	4.0
257.00903	7.3
257.04446	2.0
258.01666	4.2
259.02444	3.5
263.06787	1.3
265.05301	2.7
266.05869	1.4
267.02991	1.6
267.06454	2.1
268.03867	1.5
269.04501	2.6
270.01718	3.2
271.02493	3.9
271.06210	1.4
272.03229	3.7
273.00470	3.4
274.01163	6.0
275.01968	29.2
277.05002	3.4
278.05698	1.6
279.03125	1.8
279.06357	1.7
281.04504	3.1
283.02420	3.9
283.05597	1.4
285.00452	1.5
285.04022	2.1
286.01111	1.5
287.01993	5.4
288.02808	7.2
290.05713	1.5
291.01517	5.1
293.04529	2.1
295.02512	3.6
295.06055	2.7
296.03293	1.7
297.03976	3.8
298.01193	4.3
299.02032	6.8
299.05493	2.3
299.99356	2.2
300.02823	4.1
300.99908	22.4
301.03510	4.5
302.00311	1.7
302.04147	3.8
305.04703	3.4
307.06375	2.2
309.03983	4.0
310.01276	2.2
310.04733	1.6
311.01993	5.1
311.05276	1.8
312.02695	3.7
313.00180	2.8
313.03528	7.7
313.06738	1.5
314.00632	6.7
314.04181	3.0
315.01593	2.5
315.05185	2.2
317.03094	2.9
319.06021	2.1
321.03992	3.5
321.07578	2.1
322.04773	1.6
323.01901	3.3
323.05618	4.0
324.02768	2.2
325.00076	2.0
325.03510	7.7
325.06775	1.7
326.00635	4.9
326.04263	3.2
327.01453	10.7
327.05243	6.1
328.02167	4.2
328.05692	2.3
329.02963	2.9
329.06857	1.4
333.04077	3.3
335.05447	3.2
336.02811	2.4
337.03259	4.9
338.00818	3.4
339.01395	10.1
339.05179	3.8
340.02179	7.9
340.05838	2.3
341.02957	7.8
341.06607	2.3
343.04654	1.6
347.05658	2.2
349.03452	3.9
349.07300	2.5
350.04099	2.8
351.01395	4.7
351.05072	5.2
352.02072	2.8
352.05954	3.1
353.03003	9.0
353.06561	3.2
354.03860	11.5
355.04562	7.6
356.01688	2.6
362.04169	1.9
363.04993	3.5
364.01849	1.5
364.06027	2.9
365.03021	4.3
365.06915	1.9
366.03763	4.4
367.00885	3.0
367.04596	6.2
368.05344	4.7
369.02246	2.9
371.03787	2.3
375.05026	3.5
377.02933	2.9
377.07068	1.9
378.03778	3.5
379.04550	5.9
380.05444	2.0
381.02240	2.0
381.06339	2.2
383.04193	2.2
391.04074	1.9
391.08246	4.2
392.05157	3.8
393.06067	2.7
394.03226	2.2
395.04050	4.7
395.08325	2.1
397.06006	1.8
399.03345	2.0
402.03748	3.3
403.04456	3.7
405.05930	3.0
407.07944	1.9
411.03345	2.0
412.04657	2.9
419.07877	15.6
420.08578	2.6
421.05524	1.8
431.08282	1.7
435.06790	2.1
449.09006	1.7
461.03491	3.0
463.06754	54.2
464.07437	10.3
465.08316	1.6
475.06686	7.3
482.09515	1.5
491.05643	1.6
493.07672	6.8
495.08932	1.6
507.05637	1.7
508.06540	2.7
519.05804	6.4
521.07733	1.4
537.06873	9.0
538.07458	4.7
539.08356	5.7
555.07581	2.1
563.04877	3.8
565.06378	5.2
567.08282	1.5
581.05768	27.2
581.14374	2.3
582.06470	11.1
583.07135	8.7
598.06250	2.7
599.07013	13.6
600.07367	1.6
611.06519	2.4
617.07715	3.6
629.08209	2.9
639.10291	1.4
647.08441	1.9
665.09058	2.9
701.10175	6.3
719.11084	5.3
737.12189	4.4
755.13489	2.0
763.10297	1.7
781.10895	2.3
801.09296	1.8
857.08234	2.0
875.10712	3.0
893.10211	1.9
901.07190	2.7
905.10651	2.0
919.09149	6.6
937.10114	3.8
949.09528	8.8
951.07861	4.5
967.10693	20.2
968.11383	2.8
979.10297	2.7
981.09320	2.5
997.11768	2.7
1011.09979	8.8
1012.11456	1.7
1021.11267	3.3
1023.09851	7.7
1025.11328	1.9
1039.12769	10.6
1040.12219	2.1
1041.10608	2.6
1057.13782	41.6
1058.14966	8.8
1065.10535	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	1089.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
81.11132	0.7
82.57865	0.7
84.76514	0.8
86.16825	0.9
95.01399	1.1
98.19846	0.9
100.28884	0.8
101.24718	0.7
109.37990	0.7
123.00873	1.4
125.02448	1.8
129.03450	0.9
131.05031	0.9
133.02925	0.9
145.03009	2.0
147.04532	1.6
157.02951	1.5
159.04510	1.3
161.02428	1.1
163.03996	1.6
173.02446	3.1
175.04013	1.8
177.01863	1.3
177.81520	0.8
181.93741	0.8
185.02399	4.5
187.54944	0.7
189.02017	1.3
190.02675	0.8
191.03487	1.3
201.01958	5.6
203.03542	5.4
213.02002	1.9
213.56364	0.8
217.01422	1.5
229.01421	11.8
231.03069	4.2
245.00928	2.5
247.02618	1.2
249.04065	5.3
257.00934	9.3
258.01633	3.4
273.00296	1.6
275.01978	32.2
276.02234	1.5
283.99615	3.5
299.01874	1.9
299.99298	4.0
300.99893	100.0
302.00214	5.4
365.02850	1.1
439.62210	0.8
481.06055	3.5
613.04449	1.7
765.04657	1.4
783.06885	95.7
784.07446	11.6
795.83612	1.0
951.07556	1.0
952.06927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6585
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02692	0.6
81.03440	0.6
83.05024	1.7
84.30460	0.4
85.02955	6.2
87.00876	2.1
89.02442	0.6
92.55879	0.5
95.01383	1.4
99.00886	3.1
113.02469	5.2
114.18407	0.5
117.01932	1.2
123.18366	0.6
129.01944	0.7
163.11235	1.3
165.12833	0.7
175.02501	0.7
185.70412	0.5
209.11845	25.4
210.12056	0.9
216.89474	0.6
227.12889	2.1
229.31087	0.6
255.23291	17.5
256.23553	1.1
276.83914	0.6
359.22296	1.1
383.22043	1.5
623.93158	0.6
715.42773	100.0
716.43091	12.2
780.61926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.6315
Annotation	Unknow
Peak:m/z	Relative Intensity
75.97763	0.2
79.01893	1.3
81.03458	2.2
83.01404	0.9
83.05037	0.4
85.06593	1.3
91.05531	0.3
95.01384	0.7
95.05038	0.6
97.02956	0.6
100.65534	0.2
101.86596	0.2
107.01392	0.7
107.05033	0.3
107.08603	0.2
109.06606	1.7
111.04535	2.6
122.03764	0.2
123.00895	0.5
123.04533	0.8
123.83440	0.2
124.01690	1.1
125.01609	0.3
125.02456	2.9
135.04523	1.5
136.05304	0.2
137.02460	0.2
138.03174	0.3
147.11774	0.5
149.06146	0.3
151.00380	1.4
151.04034	0.6
151.07652	1.4
152.01137	1.9
152.04756	0.3
153.05585	8.1
154.05962	0.2
162.03264	0.2
162.06874	0.2
163.07690	0.2
165.05576	0.5
166.02734	1.4
167.03549	0.4
177.01903	0.2
179.03502	3.2
179.07076	0.4
180.04256	1.5
181.01459	0.3
193.05086	1.0
194.05811	2.1
195.06624	3.4
205.05049	0.6
207.06653	3.0
208.07391	0.5
209.11810	0.3
212.03171	0.2
221.08234	0.5
229.08688	0.7
233.15430	0.2
240.06488	0.2
247.09761	0.5
255.14000	0.2
262.12265	0.2
263.12842	0.3
269.19193	0.3
271.17026	0.4
277.14511	0.2
277.21722	0.3
285.11246	0.2
293.19135	0.3
299.12863	0.7
309.18591	0.7
311.16605	0.2
311.20193	3.7
313.14432	0.3
337.18039	1.0
339.16119	0.2
353.17575	0.6
355.19141	100.0
356.19485	5.8
438.03934	0.2
476.26514	0.2
766.50378	0.2
882.71838	0.2
995.00903	0.2
1079.48706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.3
84.33904	0.2
85.90466	0.2
88.13819	0.2
102.65664	0.2
107.01388	0.8
109.02986	0.2
123.00924	0.3
124.01643	1.7
125.02416	0.4
135.00848	0.4
136.01715	0.4
137.02444	0.8
148.01646	0.4
151.00374	3.9
152.01183	0.9
161.02440	0.4
163.00423	0.9
164.01157	1.2
165.01772	0.2
169.01424	0.6
178.99872	5.2
179.03398	0.2
180.00163	0.2
185.02455	0.3
187.04095	0.3
189.01874	0.2
190.95631	0.2
192.00607	0.4
193.01375	0.3
199.04030	0.3
203.03464	0.6
204.04266	0.5
213.01973	0.4
214.02715	6.7
215.03412	0.8
215.20090	0.2
217.01491	0.2
227.03500	0.8
229.01291	0.3
231.02994	0.5
232.03746	0.5
242.02217	4.9
243.02954	2.6
259.02472	5.7
260.02942	0.3
269.98810	0.4
270.01694	6.3
271.02475	36.6
272.02872	1.9
287.01981	20.9
288.02548	2.1
299.02328	0.2
299.99222	0.2
300.99844	0.5
301.03018	0.2
315.01370	1.3
316.02231	95.7
317.02744	8.6
463.08856	10.8
464.09152	0.8
492.20377	0.2
537.19983	0.4
595.12994	0.4
609.14606	100.0
610.14954	9.8
610.24963	0.4
726.61304	0.2
913.02112	0.2
945.23163	0.2
960.32629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	1.5
59.01385	27.1
69.44402	1.9
69.44817	5.1
72.99313	79.5
73.99649	1.5
75.00880	29.2
87.39897	0.7
98.19901	1.5
103.00382	1.5
105.01942	100.0
105.12984	0.8
105.96075	0.9
106.02273	2.8
114.03972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01094	1.5
59.01385	27.1
69.44402	1.9
69.44817	5.1
72.99313	79.5
73.99649	1.5
75.00880	29.2
87.39897	0.7
98.19901	1.5
103.00382	1.5
105.01942	100.0
105.12984	0.8
105.96075	0.9
106.02273	2.8
114.03972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
73.49489	0.2
83.01401	0.2
93.61794	0.2
98.75518	0.2
98.94799	0.2
105.10908	0.2
107.01383	1.1
109.02936	0.3
123.00887	0.2
124.01653	1.0
135.00867	0.3
135.04544	0.7
136.01770	0.2
137.02379	0.3
146.40399	0.2
151.00369	3.1
152.01178	0.7
163.00404	0.8
164.01167	0.9
169.01430	0.4
174.03221	0.3
175.04018	0.2
178.99875	3.9
179.03479	0.5
199.04076	0.3
203.03532	0.5
204.04166	0.3
214.02722	4.4
215.03381	0.6
227.03539	0.5
231.03093	0.3
232.03719	0.5
242.02203	4.0
243.02925	2.5
246.01900	0.2
259.02454	4.4
270.01718	4.8
271.02469	28.5
272.02823	1.3
287.01987	18.3
288.02560	1.6
299.02094	0.2
300.02832	0.7
315.01276	1.3
316.02231	85.9
317.02713	6.6
376.20251	0.2
386.24915	0.2
389.05679	0.3
463.09067	1.1
477.28748	0.3
521.09576	0.6
537.19879	0.3
595.13043	100.0
596.13348	9.1
744.89734	0.2
842.57782	0.2
886.92780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
73.91466	0.4
79.01910	1.1
83.01398	1.1
85.02960	2.1
87.00906	0.6
89.02435	0.5
94.52659	0.5
95.01401	2.4
96.07111	0.4
96.96044	1.0
97.02943	0.8
99.00917	0.5
101.02441	1.4
107.01410	5.9
108.02191	31.0
109.02995	5.8
110.03276	0.5
111.00877	3.1
113.02451	1.2
119.03446	0.4
120.99644	0.6
121.02970	14.3
123.00898	12.3
124.01705	1.1
125.02460	30.9
126.02790	0.8
127.00412	1.0
135.04501	0.7
136.98788	2.4
137.02452	0.7
137.09731	1.2
139.00383	5.7
139.04037	0.7
140.01180	5.1
141.01947	1.5
145.02890	0.7
151.00392	6.1
151.03979	0.5
152.01166	69.3
153.01953	3.5
154.99841	0.7
161.02432	0.4
163.04050	2.3
165.01958	1.2
167.03493	1.0
168.00653	12.0
169.01439	43.5
170.01753	1.5
175.04059	0.5
177.01924	0.9
179.03505	0.9
211.02490	53.3
212.02800	1.9
230.63966	0.5
241.03593	1.9
271.04608	81.0
272.04922	4.2
273.05212	0.7
285.06253	0.5
300.99747	2.2
313.05609	1.3
331.06723	21.3
332.06924	0.9
399.09341	23.8
400.09619	1.6
515.71661	0.5
521.13013	90.9
521.20422	61.7
522.13336	11.8
522.20752	6.6
523.13623	3.0
523.20813	0.9
537.19965	4.1
538.20374	4.2
539.21375	100.0
540.21741	10.0
1041.05798	0.6
1060.69836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.5
84.25334	0.2
97.02975	0.3
101.02448	0.3
104.16647	0.2
104.60791	0.2
107.01396	2.6
107.57475	0.2
108.02194	0.5
109.02950	0.4
111.00885	0.3
121.02932	1.0
123.00890	1.5
124.01667	0.5
125.02456	7.6
126.02898	0.2
135.00883	0.2
137.02460	0.2
137.97031	0.3
139.00395	0.4
143.04991	0.2
148.01654	0.6
149.02473	0.2
151.00378	6.7
163.00359	0.8
164.01137	0.3
168.00685	0.4
168.99956	0.4
169.01428	8.9
175.03975	0.3
176.94577	0.2
178.99857	3.1
179.03529	0.2
183.04501	0.3
187.03961	0.3
191.03369	0.2
192.00618	0.4
193.01477	0.3
200.01146	0.3
203.03586	0.3
211.02419	0.5
211.04129	0.2
215.03508	0.3
216.00627	0.4
216.04205	0.4
226.02682	0.4
227.03476	0.9
227.54964	0.2
232.10480	0.2
241.03445	0.3
242.99304	0.3
243.03000	3.9
244.00223	0.2
244.03545	0.3
245.04514	0.4
254.02168	0.9
255.02989	12.1
256.03360	0.9
257.04694	0.4
271.02454	23.4
272.02939	1.6
273.03970	0.5
275.02084	0.3
283.02530	1.0
299.02008	0.6
299.99142	14.8
300.02740	56.1
300.99814	4.6
301.03400	24.0
301.07544	0.2
301.08426	0.3
302.00568	0.4
302.03848	1.1
313.05685	2.2
343.04221	0.4
404.81430	0.2
447.05722	4.7
448.05658	0.3
463.08856	14.9
464.09253	1.2
615.09894	100.0
616.10242	10.8
764.49438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	6.0
83.01377	1.4
95.01425	0.5
95.05007	0.5
107.01392	0.8
121.02934	0.4
122.03735	3.0
123.04597	0.4
124.01677	0.5
125.02457	9.2
134.98828	0.3
135.04526	0.6
151.00404	1.4
152.01141	0.5
162.03198	0.4
166.02701	0.5
166.46301	0.3
177.09129	0.3
179.03528	0.6
182.58708	0.3
205.15970	0.6
245.19113	1.6
247.17030	1.1
259.20724	0.4
287.20187	8.7
288.20444	0.9
289.14597	0.4
292.84122	0.3
300.99658	0.4
313.18228	0.3
319.22839	0.4
331.19220	2.5
341.24796	0.4
359.25949	1.8
385.23828	0.6
401.23309	0.4
403.24911	100.0
404.25266	7.0
486.36523	0.3
555.19373	0.5
572.15839	0.4
641.22845	0.7
659.58795	0.3
813.80298	0.3
829.82971	0.3
928.68390	0.4
1045.48291	5.9
1046.49084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39437	1.7
94.46622	1.7
95.01390	11.2
108.01434	1.5
109.02928	1.9
115.00562	1.4
117.03503	2.1
119.05056	2.1
121.02994	2.9
123.00887	17.4
124.01665	6.1
125.02454	20.2
131.05042	2.8
133.02951	3.3
135.04539	1.8
137.02521	2.0
145.02968	7.8
147.04527	6.9
149.02448	4.6
150.03189	1.5
151.04034	2.5
158.03738	4.5
159.04507	12.0
160.01686	1.6
161.02481	4.5
163.04079	3.6
164.01169	2.1
165.01895	3.0
173.02357	2.5
174.03156	2.9
175.04002	15.9
176.01221	1.6
177.01932	14.0
177.05592	2.5
185.02487	2.6
187.04002	7.1
189.01949	4.0
190.02698	5.3
191.03505	5.5
193.01469	1.5
200.01187	1.9
201.01898	7.4
202.02594	1.8
203.03511	34.9
204.03818	1.8
205.01346	1.9
209.06100	1.8
213.02010	3.7
214.02708	4.0
216.00600	2.2
217.01436	4.1
219.02960	2.7
221.04518	5.0
223.04254	2.2
225.05565	2.9
227.03503	3.9
229.01332	8.6
229.05072	2.1
230.02162	2.0
231.00613	2.6
231.02979	48.4
232.03436	2.2
242.99319	2.1
243.03015	2.4
244.00066	1.8
245.00978	9.1
247.02441	7.0
248.03255	4.5
249.04025	100.0
250.04549	3.9
251.03534	3.6
253.05055	1.7
255.02969	2.6
257.00970	9.1
258.01718	2.5
261.00241	1.9
265.04889	2.6
267.02991	3.2
269.00821	3.9
270.98920	4.7
273.00397	13.0
274.01254	10.5
275.01904	20.2
277.05200	1.8
279.02951	3.0
280.03662	1.9
281.04761	1.8
285.00436	2.1
291.01364	4.5
293.04416	4.6
295.02444	2.2
297.00659	2.2
297.04141	1.8
298.01105	2.7
298.98312	7.0
299.99149	11.3
300.99915	45.7
301.03326	2.9
302.00333	3.1
307.02448	2.9
309.04056	3.9
310.01117	1.9
311.01874	2.2
312.99991	4.9
314.00690	6.8
314.05658	1.7
315.01703	2.3
318.01727	1.9
319.02277	3.1
321.03879	3.6
322.01303	3.1
325.00009	2.8
326.00565	7.9
327.01279	3.8
333.04019	2.5
334.04944	1.7
335.01996	4.2
336.02603	5.5
337.03537	5.2
338.04306	2.1
339.01227	2.3
340.02466	2.0
340.99405	3.7
341.03931	1.6
343.06189	2.1
347.02017	3.0
348.02960	3.2
349.03482	6.3
350.04242	2.2
351.01215	2.4
351.05042	6.9
353.03107	2.7
364.02176	2.9
365.03082	5.4
367.01114	4.2
375.01086	2.1
377.02905	1.8
379.00739	2.9
381.02521	2.2
385.03189	2.0
387.04938	1.8
393.02597	9.5
394.03055	3.1
398.02762	1.7
399.04562	3.3
405.02481	3.0
409.02481	2.0
415.04587	2.2
419.00085	2.3
420.01208	2.2
421.02008	5.0
425.01593	4.6
433.01990	5.1
437.01550	4.3
438.02322	4.5
443.04205	4.5
445.05719	1.8
449.01462	4.6
450.02161	3.3
451.03043	8.1
452.03613	2.1
458.06360	2.3
459.07346	1.8
465.00955	3.8
467.02521	9.0
471.03763	2.7
473.05408	4.5
476.07480	34.2
477.08200	26.3
478.08722	3.6
489.04617	6.0
490.05484	7.6
491.05954	3.0
493.00357	8.8
500.03656	3.6
501.04730	6.5
502.05679	6.0
503.06015	3.5
516.02893	1.6
517.03937	2.1
518.04932	27.1
519.05670	21.2
543.06079	1.9
544.02557	2.6
545.03925	4.5
546.04089	3.0
559.08789	3.5
561.06677	6.2
562.03516	4.0
569.06104	6.0
585.06769	5.0
603.08026	6.1
605.08667	1.8
613.04590	4.0
631.78418	1.7
639.10077	1.7
683.08966	2.5
871.06342	6.0
899.08899	2.4
915.05408	17.2
916.06354	3.8
917.07684	1.9
943.08386	10.4
944.08429	2.0
985.09430	6.5
987.08118	5.7
1021.48749	1.7
1029.07617	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	1067.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
92.72014	1.1
95.01403	6.2
107.01379	1.3
109.02961	2.1
115.05566	1.3
117.03483	4.0
118.98592	1.3
119.05032	2.2
121.02950	2.0
123.00110	1.4
123.00903	16.2
124.01654	3.9
125.02467	19.6
131.05020	5.4
133.02962	3.7
133.15982	1.1
135.04546	3.0
137.02400	1.6
143.05022	2.0
145.02962	6.8
146.03693	1.2
147.04532	6.6
149.02457	3.0
151.04007	2.6
157.02917	1.4
158.03726	2.2
159.04510	13.1
161.02455	5.0
163.04007	2.5
164.01172	2.4
169.01448	4.8
171.04556	1.5
173.02452	5.4
174.03139	2.1
175.03970	13.2
177.01929	10.0
177.05620	1.4
179.03513	2.1
185.02458	5.0
186.03154	2.7
187.04007	8.3
189.01973	3.7
190.02692	5.4
191.03564	6.8
193.05019	2.0
193.06570	1.3
199.03996	2.5
200.00995	1.2
201.01935	6.5
202.02689	2.9
203.03511	30.9
204.03856	2.8
205.01425	2.3
211.04008	1.5
213.01924	3.7
213.05547	1.7
214.02733	3.3
215.03488	2.6
216.00514	1.7
217.01421	5.0
219.02995	3.2
221.00929	1.3
221.04482	4.0
221.06314	2.6
222.40068	1.3
225.05560	1.3
227.03459	5.3
228.00620	2.7
229.01469	11.8
229.04927	1.9
230.02107	5.6
231.02989	42.8
232.03455	2.2
235.91577	1.5
237.05591	1.8
239.03548	1.4
241.01353	2.8
242.02190	3.0
243.03027	5.4
244.00119	1.5
245.00952	9.4
245.03258	1.4
245.04439	2.0
246.01486	1.6
247.02289	7.3
248.03223	4.9
249.04016	100.0
250.04274	3.6
251.03517	1.5
251.07124	2.0
252.04405	1.6
253.01306	1.9
253.05133	1.7
255.02925	3.6
257.00946	12.5
257.03354	1.5
257.04623	1.4
258.01633	13.1
259.02487	5.7
265.05045	2.8
267.03027	3.5
267.06595	2.0
268.03787	1.3
269.00964	1.5
270.01770	2.1
271.02423	6.8
272.03314	2.4
273.00473	13.5
274.01190	20.0
275.01938	41.9
277.04990	3.8
279.02975	2.5
279.06580	2.1
281.01019	1.9
281.04272	1.3
283.02371	3.6
283.99637	9.8
284.02628	2.2
285.03995	3.6
286.01230	5.4
287.01950	10.8
288.02765	9.8
289.03317	1.2
291.01315	7.7
293.04431	4.0
294.05511	1.3
295.02515	3.0
295.05878	1.8
297.00528	2.7
297.03879	2.2
298.01251	4.3
299.02057	11.0
299.99112	3.2
300.02560	3.0
300.99872	30.8
301.03528	13.4
302.00333	2.8
302.03983	2.4
305.04462	4.3
307.05908	2.4
309.04041	2.2
311.01981	2.9
311.99213	2.3
312.02603	2.7
312.99866	4.7
313.03574	5.6
313.96954	1.8
314.00705	32.2
314.04095	1.1
315.01532	7.6
315.04694	1.3
317.03125	1.7
321.04025	4.8
322.04767	1.7
323.01938	2.4
323.05591	3.5
324.02542	1.9
324.99875	2.6
325.03534	3.5
326.00647	3.1
326.07953	1.4
327.01483	28.7
327.04947	1.0
328.02054	6.2
329.03088	8.1
333.04031	3.8
334.04974	1.7
335.05569	2.5
337.02567	2.3
339.05142	1.9
340.02249	4.1
341.03036	11.7
343.00864	3.3
349.03552	10.0
350.04285	6.0
351.01321	2.3
351.05090	11.7
352.05679	3.0
353.02878	2.5
353.06647	8.1
365.02948	2.3
366.03595	2.2
367.04544	4.8
369.06323	2.3
371.03967	2.4
376.01797	1.5
377.03046	63.1
378.03806	23.7
379.04599	20.3
380.05112	1.6
381.06030	4.2
383.03879	3.1
385.05444	2.7
391.04593	1.7
394.03192	2.9
395.04099	21.5
407.04129	2.5
411.03333	1.4
413.05203	4.5
419.04153	1.5
425.05521	2.0
431.06000	1.7
443.06342	2.6
449.07062	3.9
497.07455	6.3
515.08429	1.4
533.09198	2.3
536.76337	1.3
583.07532	2.2
601.08508	5.0
631.09253	7.7
661.09668	1.7
687.05585	1.4
717.08545	1.4
721.12579	8.5
733.07190	2.6
859.09924	4.1
885.08331	14.4
889.56616	1.3
903.09436	15.8
915.08948	3.4
927.09070	3.5
933.10150	19.5
934.10809	2.8
977.08551	2.0
987.11365	2.1
1005.12122	3.9
1023.13281	29.9
1024.13293	5.4
1031.09985	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	1065.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01848	0.3
82.21721	0.2
82.41559	0.2
85.45190	0.2
94.51777	0.2
108.02128	0.3
109.06580	0.2
116.92803	0.6
117.03440	2.2
119.04996	0.3
120.19604	0.2
125.02365	0.6
134.03711	0.5
135.04535	0.3
136.01610	0.7
149.02477	1.0
155.27423	0.2
159.04514	0.3
163.11313	0.3
172.22200	0.2
175.04024	2.0
176.04727	0.3
177.01920	1.3
178.02682	0.4
179.03429	0.5
185.05913	0.2
186.03195	0.2
190.02573	0.2
197.11691	0.3
203.03349	0.2
207.10182	0.7
209.11761	0.3
225.05559	0.3
225.11400	0.4
227.07220	0.5
237.05508	0.3
239.07089	0.6
240.07909	0.3
251.07169	0.5
253.05049	1.1
267.06613	4.1
268.07419	1.3
279.06595	0.3
291.19720	0.3
295.06128	13.9
296.06894	89.2
297.07233	5.1
300.99860	0.5
307.19254	0.3
309.20703	0.6
311.09259	100.0
312.09598	5.7
312.13257	0.2
328.05844	0.5
391.21255	0.4
527.04913	0.2
723.41821	0.3
753.41510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99323	0.3
73.02972	0.4
76.34196	0.2
76.86678	0.2
79.01897	1.0
81.74388	0.2
83.01402	1.0
85.02956	1.1
87.00890	0.3
88.02795	0.2
89.02442	0.5
92.48469	0.2
95.01382	2.0
96.96018	0.5
97.02958	0.7
98.20641	0.5
99.00907	0.3
101.02453	1.9
107.01403	5.1
109.02966	0.3
110.00120	0.4
111.00894	3.1
113.02455	1.2
122.99987	0.4
123.00900	11.8
124.01653	1.6
125.02460	24.9
126.02800	0.9
127.00344	1.4
136.98816	1.7
137.02493	0.5
137.09724	1.1
139.00385	4.7
139.04016	0.5
140.01173	4.5
141.01956	1.7
150.99158	0.4
151.00388	7.9
151.04082	0.3
153.01926	0.7
154.99927	0.3
163.04001	0.3
165.01920	0.9
167.03520	1.2
168.00655	10.7
169.01439	36.7
170.01753	1.1
175.04015	0.2
177.04185	0.2
181.05052	0.4
182.02267	0.3
183.03069	0.3
189.96979	0.2
189.98868	0.2
193.01398	0.4
203.03659	0.2
209.04530	0.5
209.15588	0.3
211.02495	42.0
212.02864	2.3
241.03575	1.4
253.03581	0.5
255.04871	0.3
271.04599	68.6
272.04977	3.7
273.05151	0.8
291.09045	0.4
313.05612	1.5
331.06729	23.9
332.07062	1.5
521.20349	44.4
522.20679	4.9
523.21881	100.0
524.22241	9.3
524.30310	0.3
613.54175	0.2
708.12817	0.3
789.74146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	0.6
73.02917	0.5
79.01913	0.8
83.01398	1.0
85.02932	0.7
89.02446	0.4
95.01389	1.4
96.96043	0.4
97.02950	0.6
101.02454	1.1
107.01384	4.6
108.02153	1.5
109.02985	0.6
110.00105	0.4
111.00905	2.8
113.02450	0.8
121.02934	1.0
122.99986	0.4
123.00896	10.2
124.01643	1.8
125.02454	24.6
127.00389	1.2
132.99666	0.3
136.98799	1.8
137.02460	0.7
137.09734	1.1
139.00383	4.5
139.04018	0.6
140.01147	4.3
141.01913	1.1
149.02444	0.3
150.99171	0.4
151.00374	7.0
151.04031	0.5
152.01172	3.4
153.01907	0.7
165.01933	0.8
167.03508	1.3
168.00648	13.1
169.01427	37.5
170.01770	1.2
179.03503	0.3
183.03036	0.5
209.04604	0.4
211.02481	49.3
212.02805	2.0
214.69872	0.3
223.21109	0.3
241.03606	1.8
252.96321	0.3
253.03323	0.4
269.01132	0.3
271.04593	75.9
272.04932	3.4
273.05051	0.6
301.00061	0.4
313.05652	1.2
331.06705	20.8
332.06967	0.9
347.20502	0.3
392.22430	0.3
399.09390	1.0
521.13141	4.8
521.20251	56.6
522.13275	0.7
522.20557	6.9
523.21082	0.8
525.23419	100.0
526.23724	9.1
629.43854	0.4
654.23102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99291	0.3
73.02947	0.4
79.01875	0.8
83.01400	0.8
85.02963	0.9
95.01382	1.6
97.02969	0.8
101.02451	0.8
107.01392	5.5
110.00075	0.4
111.00883	3.0
113.02437	0.7
118.45313	0.3
123.00890	10.9
124.01645	1.3
125.02457	27.5
126.02802	0.5
127.00357	0.7
136.98827	1.5
139.00392	4.8
139.03975	0.5
140.01161	4.9
141.01949	1.0
149.02371	0.4
151.00381	5.7
153.01947	0.6
165.01944	1.1
167.03494	1.4
167.99188	0.5
168.00636	12.1
169.01430	38.8
170.01707	0.9
211.02486	54.1
212.02853	1.7
241.03590	1.9
271.04596	69.6
272.04916	2.1
313.05573	1.2
314.06348	0.3
331.06723	14.3
332.06903	0.9
429.24899	0.3
521.20300	69.5
522.20618	7.7
525.23431	100.0
526.23810	9.2
828.97711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95913	100.0
96.96968	0.3
149.00105	4.5
152.99539	0.5
177.22034	0.3
205.16025	2.5
255.23167	0.6
285.12640	5.7
293.10098	0.4
293.95889	0.3
355.16754	2.3
369.48416	0.4
385.17776	1.1
417.12506	0.8
447.13458	6.9
448.13861	0.6
653.30170	88.4
654.30450	11.4
742.14117	0.4
1037.48230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.8
96.96002	0.5
107.01388	2.0
108.02193	1.0
109.02959	0.6
115.89257	0.4
119.05002	1.0
123.00849	0.9
124.78280	0.4
125.02456	2.1
135.00877	0.4
145.02951	1.1
148.01717	0.8
151.00369	5.9
155.70746	0.4
161.06038	0.6
163.00372	0.8
163.03989	0.8
164.01196	0.6
169.01379	2.4
178.99844	3.7
181.22572	0.4
185.02470	0.4
192.00533	0.5
199.04123	0.7
201.02048	0.6
203.03355	0.6
205.04944	0.6
215.03531	0.5
226.02737	1.3
227.03444	1.6
229.01408	0.6
243.02954	7.8
244.03732	0.6
254.02295	2.1
255.02991	20.8
255.05699	1.0
256.03320	0.8
265.07333	0.5
271.02478	50.9
272.02954	4.1
274.01147	0.5
275.01907	0.7
286.00882	0.4
299.01978	3.5
300.02747	94.7
300.99857	6.3
301.03345	10.7
302.03531	0.6
316.02087	2.5
325.03741	0.5
433.07977	0.8
477.03317	1.6
477.10397	5.7
477.17578	0.6
477.19748	0.4
565.03137	0.8
565.11993	17.2
566.12646	2.4
602.21210	0.5
609.14600	100.0
610.14905	9.4
752.47137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99323	0.7
73.02982	0.4
79.01923	0.4
81.03510	0.2
83.01402	0.4
85.02959	1.4
88.36302	0.2
88.63171	0.2
89.02470	0.3
93.03481	0.2
95.01382	1.0
97.02962	0.4
99.00899	0.4
101.02496	0.2
107.01400	2.2
108.02186	38.0
109.02988	6.9
109.76998	0.2
110.00060	0.3
111.00928	1.0
113.02444	0.7
121.02968	16.0
122.03303	0.3
123.00893	2.4
123.04517	0.2
124.01698	0.9
125.02454	13.1
127.00378	0.7
133.02913	0.2
134.03795	0.2
135.04559	0.5
136.98792	0.7
137.02423	0.5
137.09735	0.8
139.00380	1.8
139.04028	0.6
140.01176	2.3
149.02463	0.3
150.12251	0.2
151.00365	1.4
151.03998	0.3
152.01166	77.4
153.01830	3.1
163.04015	2.2
165.01953	0.4
165.05556	0.3
167.03461	1.0
168.00650	7.9
169.01442	19.2
170.01704	0.3
175.04047	0.3
177.01909	0.6
179.03479	0.7
183.03062	0.4
193.01392	0.3
193.05048	0.2
207.02853	0.3
211.02493	33.3
212.02838	0.9
234.37079	0.2
241.03581	1.0
267.05118	0.7
271.04602	49.1
272.04919	1.9
282.09647	0.2
285.06186	1.2
331.06711	14.3
332.06866	1.0
381.08112	0.2
399.09351	23.4
400.09705	1.8
402.08969	0.3
521.13000	100.0
521.20398	32.4
522.13300	8.9
522.20721	2.8
558.32312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	0.7
73.02946	0.5
75.00879	0.3
79.01912	1.2
79.69893	0.3
83.01397	1.0
85.02949	1.4
87.00895	0.6
89.02486	0.6
91.77097	0.3
95.01400	1.8
96.19747	0.3
96.96021	1.3
97.02954	0.6
97.87434	0.3
99.00900	0.3
101.02444	1.2
107.01388	6.4
109.02961	0.4
110.00106	0.8
111.00892	2.9
113.02463	1.0
121.02960	0.3
121.06592	0.4
122.99991	0.5
123.00893	12.8
124.01622	1.8
125.02457	30.2
126.02798	1.8
127.00356	0.9
136.98817	2.8
137.02495	0.6
137.09734	1.3
139.00389	5.3
139.04053	0.5
140.01173	5.0
141.01967	1.5
145.02916	0.4
151.00377	7.6
151.03949	0.4
153.01955	0.9
154.99902	0.6
155.03401	0.4
163.03981	0.4
165.01927	1.1
167.00053	0.3
167.03499	1.5
167.99164	0.5
168.00648	12.7
169.01433	44.2
170.01788	2.5
171.01889	0.3
179.03503	0.3
183.02890	0.4
191.03416	0.3
211.02484	51.3
212.02814	5.0
213.03036	1.3
224.27420	0.3
241.03648	1.8
249.04015	0.3
253.03503	0.6
259.82993	0.3
271.04593	85.1
272.04919	8.8
273.05121	3.0
275.01962	0.3
291.09085	0.7
294.95645	0.3
298.26141	0.3
300.99954	0.9
313.05701	1.4
331.06717	29.1
332.07047	3.3
333.07306	1.1
340.23172	0.3
469.28259	0.3
477.53067	0.3
521.20325	47.6
522.20667	11.2
523.21838	100.0
524.22235	8.0
524.28094	0.2
810.22992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	3.7
78.07384	0.2
79.95719	1.0
80.96524	3.9
85.02949	1.1
87.00883	0.8
95.01379	0.2
96.96015	4.2
99.00881	0.2
103.00389	0.6
113.02457	2.5
115.00378	3.6
138.97099	1.2
145.03008	0.8
157.01436	0.5
157.02892	0.3
161.02423	0.2
166.96509	0.8
173.02446	0.8
174.97101	0.2
175.00969	0.3
175.02493	7.2
185.02458	1.5
192.98079	1.2
200.01093	0.3
201.01993	1.2
229.01442	2.5
245.00969	0.9
254.98164	41.2
255.98418	1.2
257.00885	1.6
273.00327	0.3
283.99622	1.8
299.99078	3.1
300.99890	100.0
302.00223	6.0
371.94971	0.2
463.05313	1.1
477.03122	11.0
478.03268	1.1
529.64215	0.2
556.98767	8.5
557.99365	0.5
782.65082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.237
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69576	0.2
73.57108	0.2
83.01395	0.2
92.38893	0.2
98.20688	0.4
107.01385	1.4
108.02190	0.8
109.22498	0.2
121.02943	0.5
125.02458	0.3
135.00883	0.5
148.01700	0.7
151.00385	4.3
163.00356	1.0
164.01151	0.5
169.01582	0.3
175.04236	0.2
178.99890	2.8
183.04581	0.3
199.03941	0.5
203.03549	0.2
211.03999	0.3
215.03517	0.3
216.04222	0.3
226.02783	1.1
227.03569	1.6
243.02995	7.1
244.03534	0.6
254.02266	1.6
255.03000	18.4
256.03406	1.0
271.02487	44.7
272.02921	3.1
273.03934	0.4
299.02063	1.9
300.02759	92.8
300.99878	0.4
301.03320	10.8
302.03952	0.3
316.07333	0.2
447.09821	2.9
579.13574	100.0
580.13885	11.3
597.15833	0.2
611.15442	0.2
718.14307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46526	0.1
83.01389	0.2
96.96033	0.4
99.11188	0.1
107.01420	0.8
109.02964	0.2
123.00881	0.3
124.01669	1.7
125.02469	0.6
135.00874	0.4
136.01677	0.3
137.02458	0.5
151.00383	2.9
152.01132	0.7
159.04512	0.2
163.00385	0.6
164.01172	0.9
165.01923	0.2
169.01384	0.8
175.03972	0.2
178.99869	4.3
182.38062	0.2
190.02637	0.2
192.00571	0.2
193.01332	0.3
203.03508	0.6
204.04153	0.4
214.02698	4.0
215.03358	0.5
217.01334	0.2
218.02074	0.3
227.03566	0.4
231.02792	0.3
232.03894	0.2
241.01540	0.2
242.02208	4.2
243.02950	2.4
244.03629	0.3
246.01552	0.2
259.02451	4.2
260.02890	0.2
270.01724	5.1
271.02481	27.0
272.02878	1.4
287.01990	16.4
288.02582	1.8
299.01913	0.2
300.02847	0.2
300.99930	0.2
315.01474	1.4
316.02243	80.6
317.02719	6.9
361.16757	0.2
369.02277	0.2
441.13052	0.3
499.18152	0.3
532.96368	0.2
537.19940	0.7
538.20660	0.2
595.13080	100.0
596.13385	9.4
790.92548	0.2
1005.36920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.068
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	11.0
71.60870	0.5
72.99312	0.5
73.02959	0.8
79.88335	0.2
79.95749	3.7
80.96520	10.0
83.01379	0.4
85.02955	3.4
87.00871	1.8
95.01410	0.9
96.96012	10.3
99.00835	0.4
103.00383	1.7
111.00856	0.3
113.02449	7.3
115.00376	9.7
119.95715	0.3
122.97586	0.3
123.00900	0.5
125.02448	1.8
137.02444	0.4
138.97102	2.6
139.04042	0.8
157.01410	1.5
161.02422	0.5
165.01970	0.7
166.96597	1.9
169.01451	0.9
174.97159	0.4
175.02484	17.1
175.03880	0.6
176.02783	0.6
185.02467	0.4
192.98123	3.6
200.01175	0.4
201.01979	0.5
210.34296	0.3
210.99219	0.8
216.00655	0.8
229.01428	0.6
231.02998	0.8
244.00114	0.6
245.00941	0.5
247.02597	0.5
249.03987	0.7
254.98166	97.4
255.98560	1.9
257.00772	0.5
270.98892	0.6
271.02371	0.4
271.99640	0.4
272.87299	0.4
275.01947	2.3
282.99023	0.4
283.99619	0.4
287.05383	0.3
288.02579	0.3
298.98364	0.8
299.01791	0.3
299.99109	100.0
300.99695	11.3
302.00244	0.7
314.00540	0.4
315.01465	87.7
316.01764	5.4
345.07916	0.4
439.10297	0.4
447.05768	0.9
491.04678	18.4
492.04938	1.5
571.00421	11.5
571.08044	0.2
571.09698	0.4
572.00751	1.3
615.09912	0.4
975.14539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60989	0.2
79.95747	10.4
80.96519	0.4
95.95202	0.3
96.95442	0.2
96.96021	3.4
109.02925	0.2
121.02956	1.9
135.04526	0.5
145.02951	0.3
147.04517	0.8
159.04485	0.5
160.05211	0.3
161.05870	0.2
180.85521	0.2
189.36250	0.1
192.07903	0.2
202.16682	0.2
223.07568	0.2
240.04298	0.6
241.08730	0.3
251.07140	0.3
253.08545	0.3
254.05977	0.2
255.10234	1.0
263.07111	0.2
265.08682	0.3
266.05936	0.2
269.08209	14.9
270.08627	1.0
270.12433	0.6
271.09964	0.8
281.08188	2.3
282.08737	0.3
283.09784	4.6
284.10147	0.5
294.08997	0.4
295.09778	0.9
296.10464	0.6
297.11328	0.3
298.12012	0.8
299.09262	11.5
300.02628	0.3
300.09561	0.8
300.99915	0.2
309.11368	0.5
310.12067	0.5
311.09280	14.5
312.09753	0.9
313.10840	0.5
314.11615	19.8
315.11908	1.2
325.10797	2.4
326.11594	12.7
327.11908	0.9
329.13953	41.3
330.14331	3.3
341.13937	15.4
342.14279	1.3
409.09717	2.3
439.10696	100.0
440.11011	8.4
571.20862	0.2
579.13330	0.5
646.28705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
96.95984	0.3
98.19883	0.4
120.99657	100.0
121.99971	1.2
125.02449	0.6
135.97958	0.2
152.58205	0.2
163.03960	0.2
166.06378	0.3
169.01387	0.5
175.04071	0.6
192.99597	0.3
196.01929	0.2
208.02005	0.3
211.04324	0.3
223.04279	0.3
241.05298	1.0
243.03111	0.3
255.03014	0.7
271.02505	1.3
281.76776	0.2
284.03314	0.3
299.99286	0.3
300.02734	2.9
300.99805	0.8
301.03357	0.6
307.14096	0.2
329.06989	0.3
336.66650	0.2
402.41003	0.3
433.07751	1.4
459.14926	0.3
511.17004	0.2
523.35492	0.2
579.13269	2.3
580.13812	0.3
688.90448	0.2
1000.03027	0.2
1046.42371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	1.3
83.01395	6.7
83.05048	0.3
85.03020	0.1
99.69832	0.2
107.01420	0.5
107.28136	0.1
109.06615	0.1
116.92867	0.5
121.02959	0.6
123.04521	0.6
125.02455	100.0
126.02795	1.9
144.13603	0.1
149.02426	0.6
151.00330	0.3
167.03485	0.9
203.14345	0.4
215.14816	0.1
245.15491	1.1
324.44223	0.1
353.17471	0.1
371.18634	28.6
372.18939	2.3
391.30655	0.1
481.15381	0.2
555.18915	0.5
572.15155	0.1
641.22736	0.7
642.22540	0.2
767.25922	1.6
768.26727	0.4
860.33691	0.1
1013.41547	1.6
1014.42627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
78.93919	0.3
83.01389	0.3
84.09875	0.3
95.01387	0.3
96.96030	0.4
107.01408	1.6
109.02984	0.6
115.01502	0.3
117.92142	0.3
123.00867	1.6
124.01673	1.3
125.02447	3.8
135.00923	0.4
137.02425	1.7
139.00397	0.7
149.02327	0.4
151.00377	5.6
152.01079	0.5
161.02496	0.5
163.00400	0.7
164.01189	1.2
165.01909	0.5
168.00671	0.5
169.01418	3.8
175.04008	0.5
175.93747	0.3
178.99876	3.6
187.04201	0.3
203.03467	0.6
211.02460	1.5
214.02725	4.6
215.03253	0.3
227.03607	0.7
229.01503	0.6
231.03076	0.6
242.02249	3.7
243.02968	2.2
259.02417	3.7
260.02908	0.5
261.47336	0.3
270.01660	5.2
271.02423	26.1
272.02792	1.5
280.66714	0.3
287.01990	16.7
288.02557	1.7
289.07288	0.4
293.15649	0.4
299.01981	0.5
300.99805	0.9
313.05716	0.6
315.01505	0.5
316.02234	87.0
317.02878	14.4
318.03433	0.5
444.25424	0.3
479.08261	100.0
480.08575	8.4
537.19751	10.6
538.20361	1.1
648.12311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73079	1.8
71.01388	1.1
72.99321	0.3
83.01398	0.8
85.02954	0.5
89.02450	0.4
95.01382	0.9
101.02408	0.8
107.01412	4.7
109.02942	0.8
111.00898	1.4
111.14101	0.3
113.02477	0.8
119.01415	0.5
121.02974	0.5
123.00894	8.0
124.01660	1.1
125.02454	11.1
126.02773	0.3
127.00436	0.4
136.98828	0.6
137.02435	1.1
139.00372	2.7
140.01164	1.7
141.02023	0.7
148.01619	0.3
151.00374	11.6
152.01170	0.4
153.01840	0.4
153.09239	0.7
163.00374	1.3
164.01164	0.6
168.00664	3.4
168.99966	0.7
169.01428	14.8
170.01723	0.4
177.01729	0.3
178.99860	4.8
191.03645	0.4
192.00801	0.5
203.03500	0.5
205.12318	0.5
211.02475	5.4
214.02782	3.0
226.02686	0.8
227.03535	1.0
242.02220	2.1
243.02965	3.8
244.82019	0.3
246.01503	0.4
254.02278	0.8
255.02963	5.9
259.02457	2.6
270.01715	3.3
271.02350	28.0
271.04636	3.8
272.02780	2.0
273.03897	0.5
287.01962	10.7
287.05237	0.5
288.02536	1.0
297.06100	0.5
299.01865	0.5
300.02750	27.1
301.00201	0.3
301.03464	9.9
302.03918	0.4
313.02258	0.4
313.05713	1.7
316.02231	54.0
317.02948	13.0
318.03192	0.4
331.06659	0.7
343.04596	0.4
346.71567	0.3
368.01669	0.3
382.68549	0.4
463.08820	97.7
464.09201	7.1
493.17593	0.5
519.18530	1.1
537.19788	100.0
538.20117	10.5
985.67932	0.4
1032.21729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.5
72.99290	0.5
73.02949	0.5
73.07040	0.3
78.19947	0.3
79.01860	1.1
83.01359	0.7
85.02946	1.5
87.82121	0.3
95.01395	1.8
96.95992	0.6
97.02943	0.6
99.00854	0.5
99.29814	0.3
101.02460	1.8
107.01411	2.7
109.02956	0.4
110.00085	0.4
111.00882	2.3
113.02430	1.1
113.56113	0.2
123.00894	12.9
124.01677	0.5
125.02457	15.5
126.02760	0.5
127.00355	0.8
136.98770	0.9
139.00398	4.4
140.01195	2.5
141.01941	1.3
151.00378	9.2
151.03922	0.4
153.01915	0.7
163.04016	0.4
168.00656	2.9
169.01436	18.5
170.01697	0.7
179.03488	0.5
179.24104	0.3
181.05055	0.6
191.03487	0.3
209.15340	0.4
211.02481	2.3
271.01901	0.4
271.04541	2.0
300.99823	1.0
304.51791	0.2
313.05710	1.9
483.18735	65.6
484.19159	5.8
485.19861	0.6
521.20428	1.1
522.19830	0.6
523.21881	100.0
524.22247	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	996.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	3.5
69.07075	17.0
69.50296	1.4
71.04982	6.5
71.08636	26.8
71.58051	2.5
73.02924	2.5
79.05489	23.8
81.03421	9.2
81.06573	3.1
81.07055	47.7
83.04968	6.0
83.08620	17.1
85.02901	8.1
85.06525	3.2
85.10178	15.9
87.04459	1.7
91.03944	3.7
91.05480	18.2
93.07041	29.7
95.04949	5.8
95.08608	35.0
97.02868	4.7
97.06519	10.4
97.10162	8.3
103.05434	1.9
105.07037	14.2
107.04922	5.2
107.08594	20.3
109.06492	2.5
109.09441	3.1
109.10149	39.2
111.08077	4.6
112.54094	1.6
117.07019	5.8
119.08612	8.2
121.06473	2.1
121.10122	8.6
123.08044	2.5
123.11706	6.6
125.09644	3.9
125.33360	1.7
127.03920	2.8
129.05475	2.5
129.06969	2.2
131.08543	9.9
133.10147	10.5
135.07988	1.7
135.11662	7.4
137.13222	2.8
145.04990	2.6
145.10115	5.7
147.08032	1.9
147.11674	5.2
149.09619	7.3
149.13245	6.8
155.08533	2.3
157.10072	3.3
159.11694	9.5
163.11208	5.2
171.11722	2.3
173.11737	6.8
173.13170	2.1
177.12650	2.6
195.13725	3.0
199.89815	1.7
219.13799	1.7
227.12737	6.7
229.14365	42.0
239.23631	4.0
257.18887	5.9
257.24655	1.8
267.15939	2.2
269.17496	6.3
275.20102	12.8
313.27371	89.7
314.27399	2.4
331.22522	4.3
339.18008	4.3
349.23734	21.9
381.26193	3.3
405.34872	1.8
413.21710	12.5
467.37350	35.4
483.36948	1.8
505.38379	2.3
506.25970	1.8
507.40430	100.0
508.40717	3.9
521.38080	2.8
539.38989	3.4
587.46692	28.9
588.46979	3.3
605.47357	3.8
619.49060	8.6
651.44611	11.2
890.26440	2.2
906.19177	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	1008.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85454	100.0
74.60328	59.5
79.46201	62.0
83.02700	80.6
92.98028	63.2
95.55569	61.9
102.06945	65.7
142.14331	65.3
206.29648	65.0
227.08026	63.8
277.15158	65.5
282.52722	68.2
833.60950	75.6
839.10889	98.5
928.51782	85.2
1037.83716	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	2.1
71.60770	0.4
72.99310	0.5
73.02944	0.6
77.06267	0.3
79.01894	1.5
83.01403	0.8
85.02959	1.5
87.00873	0.4
95.01395	1.9
96.96032	0.8
97.02947	0.7
99.00875	0.5
101.02454	1.6
107.01404	3.5
109.02922	0.5
111.00886	2.4
113.02463	1.1
116.60423	0.2
122.05140	0.2
123.00892	14.3
123.04484	0.3
124.01740	0.5
125.02453	15.4
126.02805	0.3
127.00391	0.7
135.04503	0.4
136.98817	1.4
137.02492	0.3
139.00375	5.5
140.01183	3.5
141.01936	2.1
151.00372	10.8
151.03978	0.4
152.00653	0.2
153.01944	0.8
161.02449	0.4
163.04024	0.5
168.00639	3.8
169.01430	19.1
170.01738	0.7
179.03418	0.4
181.05089	0.4
211.02457	1.5
231.03278	0.3
245.93887	0.2
253.03543	0.3
271.04541	2.0
272.04990	0.4
301.00009	1.0
313.05634	2.5
479.40237	0.3
483.18729	82.5
484.19077	6.8
487.12466	0.5
521.20551	0.9
522.20905	0.3
525.23425	100.0
526.23798	9.4
805.65430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.1
69.06714	1.2
69.07070	16.4
71.04967	2.8
71.08631	19.6
73.02909	1.7
76.62631	0.7
79.05052	1.5
79.05492	20.1
81.03400	3.7
81.07059	52.5
83.04989	3.3
83.08136	1.2
83.08619	18.8
85.02913	5.4
85.06551	2.4
85.10180	12.5
89.06041	1.3
91.03954	4.1
91.05482	17.4
93.07049	22.6
95.04980	3.6
95.08607	32.9
97.02874	3.1
97.06538	6.3
97.10169	10.3
103.05421	0.9
103.07607	1.0
105.07030	15.1
107.04979	3.9
107.08595	20.0
109.06505	5.8
109.10157	35.9
111.08051	3.7
111.11723	1.3
113.09639	0.9
117.07014	6.5
119.08586	12.4
121.06510	1.7
121.10149	7.5
123.08053	2.8
123.11709	7.3
124.06811	0.7
125.06757	0.7
125.09681	4.6
127.03915	1.9
129.05511	1.0
129.06984	2.8
131.08563	8.3
133.10129	11.0
135.08073	2.8
135.11737	4.5
137.09601	2.6
137.13245	1.6
143.08549	2.3
145.04953	1.9
145.10133	9.5
147.08032	1.3
147.11693	5.7
149.09633	5.8
149.13252	5.8
151.11125	1.3
155.08566	1.1
155.10678	2.2
157.10088	1.7
159.11671	6.6
161.13226	2.2
163.11192	2.9
165.12704	1.8
169.10118	1.1
171.10187	0.7
171.11647	1.7
173.11725	7.3
173.13245	2.1
175.14961	0.9
177.12726	2.3
183.11798	1.3
185.13110	1.1
187.11229	0.9
188.66936	1.0
189.11165	2.0
191.14265	1.0
191.99408	1.0
195.13838	1.3
227.12781	9.8
229.14349	41.6
229.19403	1.2
239.18002	1.9
239.23709	2.1
247.20609	1.5
257.18988	5.0
257.24844	2.7
269.14548	1.0
269.17480	22.5
275.20065	28.7
293.21140	6.3
310.73660	0.7
313.27365	100.0
314.27771	3.5
331.22845	2.4
349.23727	23.3
367.24817	17.3
373.18677	1.2
413.21600	2.3
467.37341	32.7
468.37567	1.1
507.40454	60.5
508.40552	2.7
587.46698	48.0
588.47021	2.5
605.47711	32.7
606.47809	1.4
623.43201	0.9
731.51874	0.9
781.71191	0.8
853.61414	0.9
925.58362	0.9
982.55365	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	996.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	2.3
69.07077	10.4
71.01353	1.0
71.04980	2.7
71.08640	21.6
73.02892	3.5
79.05494	12.6
79.32893	0.7
81.03417	8.1
81.07060	23.6
83.01369	0.8
83.04996	5.2
83.08624	14.6
85.02425	1.2
85.02909	18.2
85.06528	2.0
85.10182	10.9
87.04448	3.3
89.06026	1.5
91.03967	5.3
91.05480	8.0
92.85374	0.6
93.07040	6.6
95.04956	3.4
95.08610	24.2
96.04424	0.7
97.02892	9.6
97.06529	3.0
97.10175	15.8
99.04419	0.9
99.08095	0.9
103.03954	0.8
103.07568	0.9
105.07034	2.9
107.04940	2.0
107.08591	7.6
109.02838	1.0
109.06548	1.7
109.10161	46.1
111.04434	2.0
111.08077	2.6
111.11717	1.2
113.09694	0.9
115.03936	1.0
117.07006	2.2
119.08582	6.2
121.06523	0.9
121.10133	3.1
123.08081	1.3
123.11697	3.4
125.09631	11.0
127.03968	3.5
129.05515	1.7
129.06967	0.8
131.08545	1.8
133.10101	1.2
135.11694	2.8
137.09630	2.4
137.13167	1.1
143.10692	2.8
145.04942	3.0
145.10146	3.3
153.12727	1.8
155.10667	3.0
163.06013	3.0
163.11220	5.8
173.09532	0.9
173.11737	11.6
181.12210	2.5
191.10622	1.8
193.12288	1.6
199.13303	7.9
209.11765	5.4
211.13344	0.8
227.12758	8.1
229.14368	45.3
229.46205	0.8
230.14720	1.1
239.23660	4.2
257.13937	1.0
257.24762	2.5
261.18582	0.9
265.14432	0.9
267.15912	5.0
283.15363	3.7
295.98099	0.7
301.16483	20.9
313.27371	100.0
314.27722	3.0
341.26859	2.4
399.23831	14.1
437.36310	3.8
455.37436	9.8
467.30554	1.6
467.37338	32.7
468.37552	1.6
505.38614	2.4
521.38275	2.5
539.39441	15.6
557.40503	4.6
637.46729	40.6
638.46570	2.0
949.78412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32845	3.8
74.68802	2.0
75.11968	1.9
76.46878	1.6
81.03413	11.0
85.02904	10.7
86.70901	1.6
97.02917	4.6
98.21209	3.1
98.23090	1.6
103.05495	2.3
109.02884	3.8
119.04884	2.1
121.58336	1.7
129.03348	1.7
129.22098	1.7
137.02428	2.2
147.04425	3.6
153.78696	2.1
157.02866	4.9
163.03958	3.0
165.01724	1.9
168.46925	1.8
169.06480	2.0
173.02359	3.9
175.03957	3.9
185.02386	2.0
187.03917	8.5
191.03424	3.9
192.04172	1.6
193.01338	2.5
195.02879	10.2
195.04446	1.7
201.01817	5.3
203.03392	7.8
203.05171	1.7
209.05957	2.9
213.01846	6.2
213.05545	2.2
215.03369	5.4
217.01286	3.0
217.88205	1.9
219.02953	5.1
221.05989	2.6
225.05438	2.6
227.03456	2.2
229.01347	5.4
231.02898	33.5
232.03520	2.8
237.05449	3.9
241.01257	7.7
241.04990	6.3
243.06508	2.1
247.02190	11.1
248.03166	2.3
249.05656	2.3
251.03447	3.8
253.04944	5.1
255.02962	3.6
257.00769	10.7
257.04422	3.5
259.02386	54.5
263.03308	2.3
265.04922	5.4
267.02991	3.3
269.04520	4.1
275.01794	12.2
276.02509	3.5
277.03424	100.0
279.03024	5.1
279.06451	2.7
281.04446	11.2
283.02518	3.7
283.05878	3.0
285.00278	9.6
285.03589	3.2
291.03122	2.2
293.04355	5.8
295.02258	5.7
295.05890	3.0
296.03036	2.0
297.03931	8.1
299.01962	2.5
299.05664	2.6
301.04294	1.7
303.01346	87.2
305.04376	4.6
307.02408	7.1
307.05768	2.9
309.03885	11.9
311.05414	5.3
313.03571	8.2
315.01401	3.4
319.02222	2.0
319.05835	2.1
321.03552	8.4
323.01889	4.5
323.05438	2.8
325.03363	12.3
326.04022	3.0
327.01358	2.6
327.04993	7.0
329.02859	2.5
333.00217	2.2
333.03882	2.6
335.01776	6.5
335.05505	4.6
337.03418	16.9
339.01453	3.2
339.04874	10.0
341.03040	10.6
343.04568	5.0
345.03882	3.0
347.01862	3.6
349.03442	8.0
351.01401	5.8
351.04910	4.9
353.02899	19.0
354.03653	3.8
355.00793	2.9
355.04544	10.1
357.02655	3.1
359.05688	2.9
361.03381	3.1
363.01297	7.9
363.05151	3.8
364.01935	2.0
365.02844	14.4
366.03482	3.1
367.00662	4.6
367.04654	6.9
369.02307	13.4
369.06235	1.8
371.04108	5.7
373.02808	2.9
375.05151	4.2
377.02777	6.7
377.07104	2.6
379.00748	5.3
379.04550	6.2
381.02316	16.6
381.06192	2.2
383.03979	18.4
387.04410	5.0
393.02191	9.5
395.04160	9.5
397.01779	6.5
399.03604	11.9
403.04651	2.1
405.02441	2.8
406.99655	8.7
407.04657	2.8
409.01663	11.8
411.03491	12.6
415.04395	2.8
419.04172	3.1
421.01456	9.6
423.03506	3.8
425.01172	9.7
427.02914	14.7
431.03656	2.7
433.05688	2.5
439.02887	17.1
443.03098	2.2
445.04239	3.6
449.00897	2.4
453.00723	3.3
455.02472	7.0
457.04266	12.2
459.03964	2.6
461.05035	6.3
463.06754	3.4
465.04446	6.6
467.02261	12.5
469.04401	2.0
471.02078	6.8
473.03467	28.5
475.04446	3.8
477.04398	2.4
479.05966	7.5
485.03354	20.2
487.03931	3.5
489.03262	8.8
493.03687	2.7
495.05661	2.4
499.01480	6.8
501.02545	2.7
503.04355	20.1
507.05530	13.2
511.04849	6.1
513.03064	8.8
517.02429	20.3
521.04041	3.6
523.05145	6.2
525.06696	5.6
531.03870	19.5
535.05023	4.3
541.06317	12.1
543.03931	3.5
549.04816	4.7
551.04376	2.7
553.06171	16.5
555.04022	3.0
559.07184	8.9
567.04230	2.3
569.05621	9.1
571.07166	11.9
585.05322	3.2
587.06866	17.5
589.07825	5.9
597.04907	7.4
605.08197	2.5
615.06122	19.3
633.07111	16.9
651.08148	3.2
687.58405	1.9
953.08508	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	971.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.6
70.08447	2.1
72.75316	0.6
81.03447	3.2
85.02882	2.5
93.84530	0.8
95.01314	0.8
98.20898	1.1
98.21416	0.8
103.05462	1.2
109.02862	2.7
119.04918	1.4
129.03381	1.3
131.04903	1.5
133.02846	1.4
137.02318	1.6
138.44466	0.7
145.02898	0.7
147.04385	2.4
151.03841	1.1
153.01810	1.2
153.06964	1.0
157.02847	2.7
161.02348	1.0
163.03928	2.0
165.01920	1.6
165.07051	1.0
169.06456	0.8
173.02333	1.5
175.03889	4.6
181.06517	1.5
185.02269	2.5
187.03928	6.7
189.01962	0.8
191.03377	3.6
192.04065	1.3
193.01337	3.7
195.02879	12.0
195.04562	0.9
197.05962	1.8
201.01819	4.7
201.03363	0.7
203.03424	8.5
203.05219	1.2
207.02861	0.8
209.05992	2.5
213.01826	5.8
213.05577	1.1
215.03419	5.6
215.06834	0.8
217.01312	1.4
218.02081	1.7
219.02847	6.3
220.03664	1.9
221.04218	0.9
223.03886	1.0
225.05481	2.4
227.03413	0.9
227.07051	1.1
229.01317	4.9
229.04735	1.2
231.02890	29.6
232.03406	1.4
232.33336	0.6
233.00690	1.1
237.05495	3.6
239.03395	1.1
239.07175	1.0
241.01334	5.0
241.05006	1.3
243.02934	1.1
245.04375	0.9
247.02353	12.7
248.03036	1.6
249.05627	2.0
251.03386	1.5
253.04945	6.6
255.02893	1.2
255.06461	2.5
257.00830	7.7
257.04367	2.0
259.02390	46.4
260.03079	2.2
261.03751	1.0
263.03500	1.2
265.04971	5.4
267.02826	1.8
267.06424	1.3
269.04471	3.0
271.02551	0.8
271.06042	1.7
275.01828	8.9
276.02649	6.1
277.03418	100.0
278.03732	2.1
279.02850	1.4
279.06387	1.0
280.03619	1.2
281.04465	10.0
283.02451	1.8
283.05994	3.2
285.00296	5.1
285.03912	3.2
289.05060	1.2
291.02826	2.3
291.06339	1.0
293.04449	6.9
295.02390	1.1
295.05820	1.4
297.03903	3.9
299.02219	1.2
299.05600	3.1
301.03464	3.1
303.01346	57.6
304.01590	1.3
305.04596	3.2
305.07910	0.9
307.02499	1.6
307.05768	1.3
308.03339	1.1
309.03900	10.5
310.04681	1.1
311.02151	1.0
311.05469	6.0
313.03525	5.0
314.04050	0.9
315.01337	1.7
317.04190	2.0
319.02429	1.3
319.06342	1.2
321.04099	6.7
323.01904	2.1
323.05508	2.4
324.02747	1.5
325.03415	5.9
326.04272	1.5
327.01413	1.2
327.04904	8.1
329.03101	2.1
333.04010	1.9
335.01746	1.5
335.05405	3.0
337.03397	15.9
337.06842	0.6
338.04083	1.6
339.01495	1.0
339.05069	8.0
341.02881	3.6
343.04758	1.9
347.01791	1.2
349.03345	4.4
349.07101	1.6
350.03998	1.3
351.01395	1.2
351.04898	3.5
352.02081	1.2
353.02869	7.2
353.06784	1.3
354.03571	2.7
355.00537	1.1
355.04456	11.0
357.02469	3.0
359.05307	2.1
361.03305	2.4
363.00952	1.1
363.04922	2.3
365.02899	14.1
366.03488	1.9
367.00934	0.9
367.04581	7.5
369.02313	5.7
371.04236	2.1
373.03329	1.0
375.05023	1.0
377.02841	3.8
377.06897	1.2
379.00302	1.3
379.04617	5.5
381.02133	4.2
383.04007	22.4
387.03830	2.9
391.04547	2.0
393.02423	10.3
395.03888	4.5
397.01968	2.3
399.03766	2.5
403.04437	1.2
405.05923	2.7
407.03915	2.1
409.01688	2.0
409.06271	1.2
411.03470	24.1
412.03522	1.4
413.05283	3.2
415.03934	0.9
417.06406	1.4
419.03970	1.4
421.01724	12.4
423.03436	3.2
425.00818	4.1
427.03079	2.1
429.04593	5.1
433.05679	2.1
435.07657	0.9
437.05521	1.1
439.02948	19.2
440.02914	1.2
441.04523	3.9
443.03168	1.5
445.05478	1.4
449.00787	1.2
453.04510	2.3
455.02432	2.3
457.03983	18.2
461.05133	2.9
463.06561	2.8
467.02362	15.1
469.03952	1.2
471.05640	1.5
473.03497	1.6
474.98422	1.4
475.05054	18.1
477.04471	1.2
479.06537	5.4
485.03503	19.7
486.03693	0.8
487.05011	1.7
489.04373	3.9
495.05338	2.3
499.05103	1.6
501.02457	1.1
503.04739	3.6
505.03680	1.0
507.05530	15.0
513.02972	8.9
517.03589	1.9
523.04816	2.3
525.06866	8.8
527.04132	0.9
531.04065	23.5
532.04401	1.0
535.04926	4.7
541.05994	3.1
543.07361	1.6
553.06091	18.5
569.05408	3.1
571.07227	14.1
587.06842	0.9
589.08295	6.0
597.04974	1.6
605.07849	1.0
615.06165	4.8
633.06995	2.9
953.08154	3.9
971.08710	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	967.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.6
69.75532	0.9
75.85752	0.9
81.03400	4.0
85.02889	5.0
89.03918	1.1
91.05482	2.4
92.22335	1.1
109.02884	1.2
115.46394	1.0
126.83778	1.0
127.03915	1.6
131.04921	2.1
142.47966	1.0
145.02893	1.8
147.04384	2.8
153.01836	2.7
157.02846	2.7
157.05003	1.6
159.04436	1.4
163.03867	1.4
173.02361	2.8
175.03903	3.9
185.02354	2.2
187.03842	6.8
191.03375	2.2
193.01378	1.6
195.02960	1.4
197.05957	2.2
201.01897	6.4
201.05611	1.0
203.03441	6.2
209.06082	1.4
213.01923	4.8
213.05385	1.7
215.03401	6.6
217.01309	1.1
219.02872	3.3
221.05905	2.0
225.05516	3.3
229.01321	7.9
229.04927	1.8
230.02144	2.5
231.02885	33.3
233.06027	1.2
237.05426	2.8
240.19821	1.0
241.01341	6.4
241.05003	1.4
243.02777	1.6
245.04428	1.5
247.02330	10.2
249.05441	1.5
253.04939	6.1
255.03110	1.4
255.06436	1.2
257.00790	10.2
257.04553	2.0
258.01642	1.2
259.02371	45.2
260.02991	2.1
263.03293	1.8
265.04938	3.6
267.02979	1.5
267.06268	1.7
269.04388	4.8
271.06027	3.1
272.03247	1.7
275.01813	13.9
276.02621	10.9
277.03418	100.0
278.03687	1.6
279.02609	2.2
279.06097	1.2
280.03650	1.9
281.04413	7.3
282.05643	1.1
283.02463	2.7
283.06168	2.3
284.03030	1.8
285.00308	7.3
285.03931	3.3
286.01205	1.9
291.02808	2.4
293.04453	6.1
295.02444	2.0
295.06073	1.1
297.03885	6.3
299.02405	1.3
299.05551	4.6
300.02631	3.6
301.00052	1.8
301.03381	2.3
302.00552	1.6
303.01355	95.5
304.01785	1.8
305.04324	2.1
307.02582	2.2
307.06097	1.7
309.04028	8.8
310.04666	1.1
311.01843	2.4
311.05441	3.0
312.02701	2.9
313.03253	6.8
314.04105	1.7
315.01270	2.3
319.02368	1.2
319.05841	1.3
321.02820	4.9
323.01813	2.5
323.05298	1.7
325.03400	5.7
326.04050	2.6
327.01428	1.4
327.04959	12.5
328.02017	3.0
328.05664	1.7
329.02936	2.8
333.03741	2.3
335.01581	1.4
335.05426	2.5
336.02414	1.5
337.03394	10.0
338.04178	2.5
339.01297	4.2
339.04895	5.3
340.02051	3.1
341.02869	5.4
343.04425	3.4
349.03354	2.7
350.04141	1.5
351.01196	2.2
351.05054	3.5
352.02112	1.8
353.02866	7.0
354.03668	4.7
355.00821	1.6
355.04477	9.8
356.01315	1.8
357.02304	7.8
358.03024	2.0
359.05112	1.2
361.03372	2.5
363.01141	2.8
363.05130	2.5
364.02014	1.2
365.02945	9.3
366.03394	2.0
367.00464	2.1
367.04398	5.8
369.02301	8.8
369.06201	1.5
370.02930	1.4
371.04083	5.7
373.02090	2.3
375.01334	1.8
377.02786	3.9
377.06949	1.4
378.03506	1.3
379.00296	1.5
379.04419	4.5
381.02182	6.7
382.03131	1.8
383.00183	1.7
383.04059	18.4
384.00952	2.9
385.01813	4.5
385.06113	2.1
387.03812	2.2
391.04666	2.5
393.02145	7.8
394.99438	6.2
395.04486	7.4
397.01013	4.8
397.05624	3.8
399.03406	4.5
405.02142	2.5
407.04001	3.2
409.01508	5.6
411.03436	10.7
413.01205	21.9
419.04205	1.9
421.01501	8.7
423.03421	5.1
425.00360	1.4
425.05045	4.6
427.02713	7.8
429.00616	3.4
433.05673	1.4
437.00772	3.4
437.05786	2.2
439.02719	17.2
441.04553	8.2
449.01404	3.9
451.02872	4.7
453.04596	7.9
455.02429	3.7
457.04117	8.8
461.05109	2.1
463.02396	1.2
465.04785	1.4
467.02020	17.6
469.04080	8.9
471.05280	4.5
477.00162	2.5
479.05911	3.9
481.04175	5.6
483.06155	1.4
489.06619	18.3
493.07794	2.0
495.01831	17.6
499.04956	2.1
503.04514	2.8
507.05890	5.2
509.03436	3.7
513.02954	24.6
514.03790	1.5
517.04211	4.1
521.07184	3.6
523.04254	1.2
525.06494	2.3
527.04559	6.5
529.01489	1.5
531.04803	1.6
535.05261	6.1
539.07776	2.2
545.05615	7.8
549.06281	3.5
551.04340	1.7
551.45227	1.2
553.06091	6.2
561.04712	3.1
567.07898	7.1
571.07239	2.0
583.06622	1.1
585.08600	7.2
597.04553	1.7
603.09827	6.1
629.07465	2.9
647.08551	2.4
665.09973	1.6
891.08765	1.2
935.06525	1.8
967.09485	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	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	2.2
67.05507	38.6
69.03426	5.0
69.07071	22.5
71.04990	2.8
71.08627	23.3
73.02924	3.2
77.44720	1.7
79.05495	31.5
81.03403	7.2
81.07059	46.9
83.04959	5.6
83.08618	18.2
85.02907	8.9
85.06527	2.3
85.10176	13.6
91.03945	6.4
91.05486	26.4
93.07044	29.8
95.04961	9.0
95.08601	33.3
97.02864	7.2
97.06551	8.5
97.10178	10.4
98.20776	6.3
98.21493	4.6
99.04470	2.2
99.08080	2.5
105.07026	25.8
107.04949	4.3
107.08594	21.0
109.02812	2.1
109.06519	3.4
109.10155	16.1
111.08068	3.9
115.05502	2.1
117.07024	10.4
119.08585	15.1
121.06470	3.9
121.10128	12.5
123.08067	2.3
123.11717	5.0
125.09622	5.8
127.03904	4.1
129.06975	2.8
131.08623	10.0
133.10143	15.5
135.08043	4.5
135.11694	8.9
137.13306	2.3
142.07822	2.3
143.08521	4.4
145.04932	3.9
145.10153	13.0
147.11659	7.5
149.09616	7.6
149.13257	8.0
155.08536	2.4
157.10126	4.9
159.11693	11.4
161.13324	2.2
163.05966	2.4
163.11162	6.0
171.11823	2.6
173.13188	3.2
174.98041	1.7
175.11223	1.9
177.12665	2.3
189.11200	3.1
199.14641	2.1
217.15878	2.9
223.13431	2.1
227.12776	7.6
229.19360	4.6
239.18088	2.6
239.23749	3.6
247.20520	3.1
255.15773	9.4
257.18933	10.5
269.17465	31.0
275.20068	28.9
293.20917	2.7
313.27371	100.0
314.27728	2.3
328.62448	1.7
331.22614	2.8
349.23740	32.1
367.24969	8.6
467.37128	3.3
483.37213	3.1
487.18683	2.0
493.38837	15.1
495.73953	2.3
507.40469	42.0
547.43384	3.9
587.46655	52.4
588.46521	5.5
605.47675	17.4
743.87189	1.8
749.51996	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	966.6359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	26.3
67.13775	1.4
69.03425	5.3
69.07074	12.0
71.04993	1.4
71.08626	20.7
71.58218	1.6
73.02920	1.4
79.05493	15.9
81.03415	5.9
81.07056	36.9
83.04982	7.8
83.08626	11.4
85.02897	5.9
85.06565	1.8
85.10187	10.7
91.03947	1.6
91.05467	11.9
93.07050	21.9
94.65692	1.2
95.04966	4.8
95.08604	22.7
97.02898	6.3
97.06532	2.7
97.10176	5.1
98.21293	1.6
99.04456	2.0
99.08102	5.2
105.07024	6.0
107.08584	10.6
109.02881	1.9
109.10172	7.4
109.54960	1.4
111.04479	1.5
111.08062	3.0
117.07032	4.2
119.08567	4.4
121.06461	1.9
121.10127	5.9
123.11685	2.7
125.09615	2.4
127.03906	3.4
129.05472	1.8
129.07002	1.7
131.08556	4.9
133.10135	5.8
135.08078	1.5
135.11717	5.5
143.08578	1.6
145.04994	2.6
145.10167	2.5
147.11687	2.8
149.13263	7.3
151.11198	6.0
159.11694	4.6
161.13269	2.0
163.11134	3.4
170.83966	1.6
171.11707	1.6
173.04422	2.0
175.14825	1.6
179.14326	3.0
195.13800	4.1
204.31491	1.3
227.12776	3.1
239.23724	2.1
259.20602	2.8
269.17459	27.0
277.21649	7.1
293.17490	2.2
313.27362	54.3
333.24496	1.5
339.17996	2.7
351.25284	17.5
413.21649	3.8
486.84210	1.5
491.40460	2.4
507.40436	100.0
508.40945	2.8
589.48242	20.5
607.48883	2.9
651.44373	2.6
683.53192	1.6
749.71808	2.1
967.54907	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	964.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	49.0
69.03429	9.1
69.07066	24.7
70.69990	1.5
71.01328	1.5
71.04991	3.8
71.08629	27.5
72.75105	0.5
73.02914	3.4
77.03871	0.9
78.45255	0.5
79.05491	33.4
81.02918	0.6
81.03416	11.7
81.07055	60.2
83.04559	0.9
83.04981	9.3
83.08615	19.5
85.02425	1.0
85.02901	13.6
85.06532	3.2
85.10180	16.9
87.04436	0.7
89.05978	1.7
91.03948	4.6
91.04888	0.8
91.05476	30.4
93.07041	39.5
95.04974	8.2
95.08603	44.3
95.72839	0.6
95.76348	0.6
97.02886	7.9
97.06529	11.9
97.09629	0.8
97.10168	9.8
98.21237	0.7
99.04420	2.7
99.08086	2.8
101.02351	0.7
103.05436	1.6
103.07542	1.1
105.04441	0.9
105.07029	20.7
107.04961	6.5
107.08591	22.8
109.02853	2.5
109.06512	5.7
109.10148	18.5
111.04396	1.7
111.08102	4.6
111.11691	1.2
113.09611	0.8
115.03901	0.9
115.05468	1.5
117.07005	12.8
117.09046	0.7
119.08575	17.0
121.06487	3.8
121.09323	0.7
121.10139	13.7
123.04427	0.6
123.08063	3.0
123.11710	7.7
124.08238	0.6
125.05973	0.8
125.09596	3.7
127.03913	4.9
127.07563	0.8
129.05443	1.6
129.06999	3.7
130.07755	0.8
131.08568	13.5
133.06450	1.0
133.10123	16.2
135.08060	2.9
135.11694	12.1
137.09555	2.2
137.13217	0.9
137.82527	0.6
139.11142	1.2
140.33142	0.6
141.06918	1.4
143.08575	3.0
145.04962	3.1
145.06447	0.8
145.10118	11.2
147.07976	1.2
147.11687	6.3
149.09619	9.9
149.13255	10.7
151.11185	2.8
155.08470	1.4
157.10077	3.6
159.11685	11.7
161.09631	1.0
161.13240	3.6
163.06023	1.1
163.11188	6.3
165.12718	0.9
167.14381	0.6
169.10088	1.7
171.11714	3.0
173.04427	2.7
173.09587	1.1
173.13245	3.4
175.11189	1.8
177.12732	4.8
179.14241	1.9
181.12355	1.0
183.11726	1.4
185.13211	1.1
187.11165	1.2
187.14844	0.7
189.11209	1.5
191.14244	0.8
195.13795	4.8
197.13255	1.6
203.14339	0.6
213.14795	1.1
213.16643	0.7
217.15881	0.8
219.13733	1.1
227.12755	3.6
229.14296	1.4
229.19417	1.8
233.15401	0.7
239.17938	2.8
239.23726	3.8
247.20618	2.2
251.16313	1.5
255.15921	15.8
257.19028	7.1
257.24716	2.0
261.14932	0.7
267.15826	2.9
269.17468	35.9
270.17850	1.4
275.20047	26.6
293.17801	0.9
293.21216	2.0
303.15851	0.8
309.20694	1.2
311.25732	1.3
313.27350	98.4
314.27780	3.3
321.17163	0.7
321.24371	1.1
331.22760	2.6
331.28378	0.8
339.17987	1.2
349.23724	28.4
350.24051	1.0
367.24753	3.9
371.17188	0.8
413.21729	4.3
419.24298	0.8
467.37259	2.2
483.37131	1.0
491.40842	0.9
493.28030	1.3
493.38861	21.9
494.39182	1.4
505.39130	1.2
507.40427	100.0
508.40802	7.0
511.28821	0.7
523.40222	0.8
531.40625	0.7
547.43329	4.4
559.46729	1.0
561.41364	0.8
587.46655	37.5
588.46967	2.4
605.47620	14.3
651.44452	2.9
671.47992	0.9
731.50360	1.1
749.52411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.7
69.85555	3.2
69.85969	1.8
81.03416	4.9
85.02892	5.6
91.05489	1.2
94.42969	0.8
95.01321	1.1
98.20940	1.7
98.21471	1.1
103.05450	2.8
109.02876	1.5
115.03928	1.0
116.58998	0.8
118.04109	0.9
119.04958	1.0
123.04448	1.4
124.66656	0.8
125.02342	1.4
125.25951	0.7
129.03352	1.2
131.04910	1.2
135.04410	1.2
137.02374	0.9
145.02814	1.3
147.04413	3.3
148.43170	0.8
153.01802	1.8
157.02879	1.5
157.04955	1.0
158.78816	0.8
159.39398	0.8
163.03911	2.3
165.01830	1.6
165.06996	1.1
169.06442	1.1
173.02338	3.6
175.03885	3.6
179.04845	0.9
181.06476	1.8
185.02322	2.9
185.05972	0.9
187.03864	6.9
191.03383	3.1
193.01317	1.3
195.02908	3.5
197.05981	2.9
201.01813	8.4
203.03404	6.0
208.75970	1.0
209.05876	2.1
211.03827	1.5
213.01889	5.7
213.05478	1.7
215.03430	6.8
217.01372	1.1
218.02019	1.1
219.02951	3.0
221.05994	1.3
223.03865	1.5
225.05440	3.7
227.03432	1.6
227.07184	1.2
229.01357	7.4
229.04953	1.7
231.02892	30.7
237.05489	3.6
239.03395	2.0
241.01324	6.5
241.04982	2.3
243.02917	1.7
243.06490	1.8
245.04457	1.5
247.02313	11.2
249.05573	1.9
251.03464	1.8
252.04077	1.0
253.04991	6.8
255.02893	2.4
255.06506	2.6
257.00821	12.3
257.04486	2.0
258.01532	1.6
259.02374	45.1
260.02869	1.1
261.05551	1.0
263.03540	1.0
265.05014	5.6
267.02866	2.3
267.06409	2.2
268.03598	1.2
269.04404	3.9
270.05225	1.2
271.02338	1.4
271.06067	2.4
272.03094	1.8
273.03961	2.9
275.01816	14.4
276.02649	14.5
277.03427	97.2
278.03690	2.5
279.02908	2.2
279.06387	1.8
280.03702	1.5
281.04459	8.9
283.02368	3.9
283.06021	2.4
285.00311	7.5
285.03906	4.3
289.03577	1.1
291.02884	2.3
293.04425	5.7
295.02371	3.0
295.06015	2.2
297.03802	5.0
298.04504	1.2
299.02164	1.5
299.05493	4.9
301.03171	4.0
302.00571	2.0
303.01343	100.0
304.01791	2.1
305.04367	2.3
307.02359	2.5
307.05838	1.5
308.03030	1.3
309.03967	11.6
310.04715	1.3
311.01767	3.7
311.05481	5.4
312.02509	1.5
313.03442	8.0
315.01276	2.9
315.04779	1.7
317.04486	1.2
319.02408	1.2
321.04251	6.1
323.01859	4.9
323.05511	2.5
325.03442	5.4
326.04056	2.1
327.01541	1.7
327.04968	12.8
328.02090	2.7
328.05737	1.4
329.02872	4.1
331.05823	1.3
333.03903	2.9
335.01804	2.3
335.05511	1.3
336.02548	1.4
337.03418	14.9
338.04144	1.6
339.01279	4.0
339.05032	6.0
340.02191	3.3
340.05869	1.3
341.02951	8.0
342.03586	1.1
343.00769	1.5
343.04517	3.2
345.03296	1.6
347.01804	1.9
349.03568	4.8
350.03970	1.4
351.01242	3.8
351.05142	2.6
352.01862	1.3
353.02817	8.4
354.03589	5.8
355.00922	1.3
355.04517	9.1
356.01529	1.5
357.02338	11.2
357.06085	1.4
359.04349	2.0
361.03442	1.9
363.01151	2.0
363.05151	2.7
364.02008	1.9
365.02951	11.9
366.03757	2.0
367.00687	3.0
367.04657	4.5
369.02283	10.7
369.06305	1.2
371.00214	3.7
371.04285	5.4
373.02081	4.6
377.02710	5.6
379.00421	2.0
379.04514	3.1
381.02145	8.1
381.06586	1.1
382.02966	3.0
383.04053	22.3
384.01038	3.8
385.01947	3.4
387.03632	4.8
391.04468	2.6
393.02319	11.3
394.02863	1.8
394.99884	12.5
395.04224	5.0
397.01624	8.7
397.06360	1.5
399.03500	3.4
405.02380	3.3
405.06830	1.3
407.03909	3.0
409.01614	6.1
411.03491	15.1
413.01266	24.6
413.06131	1.7
414.01663	1.4
419.04144	1.6
420.01108	1.1
421.01779	16.8
422.02722	1.5
423.03317	8.6
425.01169	3.8
425.05231	3.5
427.02914	10.0
428.03152	1.3
433.01117	1.2
435.03467	2.5
437.00626	1.6
439.02902	23.3
441.04651	5.8
443.02438	2.0
447.02908	1.3
449.01083	8.9
451.02722	10.7
453.04724	15.2
455.02109	1.8
457.03781	4.4
461.05136	1.1
465.04626	1.8
467.02219	42.0
468.02679	1.8
469.03943	17.3
471.05884	7.3
477.00836	8.9
479.05914	3.0
481.04169	4.4
483.05637	2.4
487.04782	1.2
489.06619	23.3
490.06927	1.1
495.01907	35.8
499.04489	1.3
501.06723	2.0
503.04761	1.9
507.05917	6.0
509.03394	4.5
513.03003	44.6
514.03027	1.5
517.04028	4.0
521.07050	2.8
527.04681	8.7
531.04242	2.9
535.04999	5.7
539.08075	2.0
545.05640	7.4
549.06525	3.6
553.05817	3.4
555.07574	1.4
561.04919	3.3
567.07629	6.0
569.05920	1.4
571.06897	1.6
579.03986	1.6
585.08765	8.4
597.04657	3.7
603.09692	8.8
611.06415	1.9
615.05884	2.0
629.07666	1.2
647.08453	2.7
853.38098	0.9
891.07819	1.1
905.09821	2.0
935.07288	1.2
967.10510	4.3
987.66290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	22.4
69.03451	3.7
69.07067	13.0
70.53072	1.2
71.08635	14.2
71.57417	1.8
73.02966	1.5
74.47194	1.3
77.14624	1.2
78.88609	1.2
79.05501	30.9
80.63342	1.3
81.03432	3.8
81.07062	25.6
83.04977	3.4
83.08615	16.2
85.02920	6.7
85.10180	7.3
85.23095	1.4
88.04946	1.4
91.03963	1.8
91.05489	16.7
93.07049	17.6
95.04965	2.9
95.08606	17.8
96.09050	1.5
97.02884	3.5
97.06529	2.6
97.10175	31.6
105.07038	21.9
107.04964	5.9
107.08598	43.3
109.06483	2.7
109.10161	13.2
111.08061	1.7
117.07024	5.8
119.08572	11.4
121.10150	4.8
123.11720	3.7
125.09636	30.4
127.03919	3.3
131.08560	6.7
133.10136	9.2
135.08051	3.0
135.11719	2.9
139.69328	1.4
145.10133	16.1
147.11719	8.1
149.09628	9.2
151.11165	1.4
157.10136	2.2
159.11678	4.1
161.13258	2.7
163.11232	3.5
171.10201	1.6
171.11653	3.1
173.13300	2.7
189.11215	15.3
206.98622	1.5
227.12787	82.3
229.19553	1.7
239.17886	2.3
257.19012	10.2
268.05429	1.3
275.20090	48.9
275.23090	2.5
293.21289	1.7
297.13382	1.4
306.62302	1.4
313.27365	85.5
314.27585	2.2
331.22696	11.2
349.23752	62.4
350.24261	1.8
389.18112	4.4
471.19336	1.5
483.36786	7.0
569.45367	5.3
587.46686	100.0
588.47131	4.4
605.47534	6.8
627.40607	4.6
718.44641	1.9
964.52631	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	962.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04796	2.4
67.05220	3.7
67.05503	34.0
69.03430	3.7
69.07063	12.8
71.04967	3.7
71.08625	12.0
73.02900	1.8
73.24605	1.1
79.05492	19.6
81.03409	4.6
81.07052	43.1
83.04967	6.1
83.08612	9.3
85.02878	5.3
85.06561	2.8
85.10172	9.5
91.03928	3.0
91.05479	35.8
92.18760	1.3
93.07033	22.6
95.04971	5.9
95.08606	20.6
97.02861	2.5
97.06536	3.2
97.10158	4.3
98.21103	8.8
105.07026	28.1
107.04976	6.2
107.08588	24.9
109.06521	5.0
109.09453	2.4
109.10152	32.2
111.08089	2.3
115.05444	1.5
117.07008	5.3
119.08578	7.8
121.06474	5.8
121.10140	5.2
123.08033	3.4
123.11705	7.6
125.09595	1.9
127.03841	1.4
129.06947	2.2
131.08563	8.7
133.06490	3.4
133.10126	47.0
133.96399	1.2
135.08070	6.9
135.11661	4.2
143.08536	5.1
145.10083	5.3
147.08018	4.0
147.11661	2.7
147.92323	1.2
149.09613	8.0
151.11180	19.2
157.10114	3.5
159.07999	1.9
159.11671	3.2
161.09584	6.0
161.13271	1.5
163.11151	1.4
169.12288	3.3
171.11742	1.6
173.09671	1.5
175.11198	3.3
177.09082	3.0
177.89417	1.1
179.10664	1.8
183.11526	1.3
185.13275	2.0
189.12721	2.0
215.12756	1.2
223.13246	1.6
245.19037	5.5
251.12796	3.4
253.14348	71.8
254.14673	2.3
255.17453	4.0
257.24820	1.4
263.20038	3.4
273.18506	31.0
291.19547	27.3
294.01154	1.3
309.20590	2.9
313.27344	51.4
347.22183	12.2
365.23221	43.6
365.27237	1.1
474.16797	1.5
507.36960	2.6
509.38577	7.8
585.45325	6.7
603.46149	100.0
604.46124	3.7
621.46881	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	962.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05169	5.5
67.05459	19.0
69.03427	6.1
69.07066	21.4
71.04957	1.3
71.08628	14.4
73.02862	0.9
79.05491	15.3
81.03419	3.6
81.07054	20.7
83.04977	2.5
83.08617	12.4
85.02912	4.0
85.06508	0.8
85.10181	8.9
89.06005	1.1
91.03960	2.0
91.05473	11.8
93.07036	12.2
95.01282	0.5
95.04957	6.6
95.08601	17.7
97.02888	10.1
97.06484	1.9
97.10165	11.0
98.20966	2.3
99.04442	0.6
99.11707	0.6
103.05431	0.7
103.07547	1.2
104.41280	0.4
105.06405	0.5
105.07034	8.9
107.04956	5.3
107.07873	0.5
107.08584	9.1
108.05679	0.5
109.02853	0.7
109.06461	1.8
109.10159	10.2
111.04391	0.9
111.08018	1.6
111.11705	0.6
115.05417	0.8
116.06220	0.5
117.07027	4.6
119.04883	1.5
119.07806	0.6
119.08576	8.4
120.05715	0.4
121.06493	2.8
121.10121	2.9
123.04338	0.4
123.08046	2.6
123.11690	2.3
124.20191	0.4
125.08784	0.4
125.09631	7.5
127.03872	1.1
128.06204	0.6
129.06963	2.5
130.07686	0.4
131.07738	0.4
131.08563	6.2
131.10542	0.5
133.06509	2.7
133.09329	0.4
133.10121	3.3
134.07263	1.0
135.08043	2.5
135.11655	2.1
137.09531	1.5
137.13248	0.6
142.07791	0.5
143.08540	2.6
145.04909	0.9
145.06439	0.5
145.10130	3.5
147.08043	4.9
147.11691	2.4
149.09598	1.5
149.13216	1.9
153.09099	0.8
157.10153	2.4
159.11682	1.8
161.09615	2.3
161.13205	0.6
162.10388	0.6
163.05896	0.5
163.11153	2.0
165.09082	1.4
169.10101	0.5
169.12166	0.6
171.11667	1.0
173.11725	0.6
173.13124	0.5
175.11104	1.6
177.12810	0.6
179.10629	0.5
183.11717	0.6
187.11174	0.4
189.11241	3.0
189.12764	0.7
193.12213	1.1
195.13802	1.0
205.12248	1.8
211.13155	0.8
223.13280	17.7
227.12773	4.6
227.17879	0.6
229.19200	0.5
239.23691	1.4
245.18961	1.5
249.14879	3.3
255.17508	0.6
257.24783	1.0
267.15933	1.2
273.18484	12.0
291.19519	86.7
292.19885	1.5
309.21057	0.4
309.41098	0.5
313.27344	73.9
314.27744	1.9
347.22186	2.7
365.23209	67.5
366.23523	1.9
483.36667	0.9
505.39288	0.9
507.13498	0.4
523.39935	5.4
535.39459	0.7
585.45160	1.9
603.46143	100.0
604.46454	5.1
912.26447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	38.8
69.03422	4.2
69.07076	12.6
71.04984	4.1
71.08629	12.6
71.56548	1.3
73.02893	2.5
79.05061	1.5
79.05495	23.3
79.98820	1.1
80.40110	0.9
81.03426	6.4
81.07059	43.7
83.04990	7.7
83.08617	10.5
85.02898	5.2
85.06550	6.2
85.10195	7.6
89.06078	1.2
91.03941	3.2
91.05482	38.5
93.07049	25.2
95.04977	6.7
95.08606	23.4
97.02890	2.5
97.06510	3.9
97.10178	3.3
98.21085	1.3
99.04453	1.4
101.06135	1.1
105.07034	29.0
107.04946	6.4
107.08597	22.0
109.06504	5.5
109.10165	40.2
110.09981	1.1
111.08054	1.7
113.05948	1.7
117.07005	4.4
119.04978	1.7
119.08593	8.7
121.06547	5.6
121.10137	4.6
123.08088	3.2
123.11719	7.6
125.09653	1.5
126.76185	1.2
127.03918	1.3
127.07539	2.0
129.06941	3.0
131.08591	6.2
133.06485	3.8
133.10135	53.1
135.08054	6.3
135.11647	2.9
137.09627	1.8
143.08617	3.1
145.05029	1.2
145.06367	1.6
145.10098	5.0
145.22467	1.1
147.08015	2.6
147.11679	3.0
149.09622	6.6
151.11191	24.2
157.10138	2.8
159.11656	2.7
161.09630	6.9
162.66150	1.3
163.11258	1.6
169.12199	4.1
171.11601	1.8
175.11218	2.6
177.09129	3.2
179.10753	1.4
215.12813	2.1
227.17874	1.2
239.23383	1.3
244.23373	1.2
245.19016	4.3
251.12793	3.7
253.14363	100.0
255.17438	2.9
263.19992	3.1
273.18515	20.0
291.19547	21.3
304.95108	1.4
309.20502	2.2
313.27368	50.6
314.27634	2.1
341.26813	2.2
347.22205	7.2
365.23212	31.2
366.24097	1.5
505.18304	1.2
507.36536	1.2
509.38312	17.4
521.37476	1.2
585.45209	6.5
603.46198	86.9
604.46246	3.0
615.06226	1.1
621.47009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05174	5.5
67.05467	19.6
69.03436	7.6
69.07072	20.8
71.04980	1.5
71.08633	15.8
71.57505	0.6
73.02911	1.0
79.05497	13.9
81.03419	4.7
81.07059	20.2
83.04949	2.4
83.08624	11.8
85.02908	3.9
85.06504	1.0
85.10188	8.6
89.06017	1.2
91.03926	1.9
91.05488	11.6
93.07050	13.6
95.01340	0.6
95.04961	6.1
95.08611	19.6
97.02895	9.9
97.06548	2.7
97.10173	13.1
99.11723	0.8
103.07568	0.8
105.07035	7.6
107.04363	0.5
107.04973	4.3
107.08597	7.7
109.02877	0.8
109.06499	2.3
109.10168	11.2
111.08064	1.5
115.05417	1.0
117.07042	6.1
119.04944	0.9
119.08588	8.8
121.06528	2.7
121.10139	4.4
123.04388	0.8
123.08045	2.7
123.11700	3.0
125.09641	8.2
127.03890	0.7
128.06175	1.0
129.06975	2.6
130.07730	0.8
131.07727	0.5
131.08592	4.6
133.06470	2.4
133.10144	3.4
134.07269	0.7
135.08011	2.5
135.11690	1.4
137.09576	2.0
137.13217	0.7
138.59245	0.6
143.08530	2.6
145.04967	0.8
145.10120	4.2
147.08051	5.0
147.11693	3.0
149.09593	1.5
149.13254	1.3
157.10126	2.0
159.08009	1.0
159.11702	2.0
161.09570	1.9
163.11151	2.2
165.09109	0.8
169.10075	0.7
169.12239	0.9
171.11630	1.2
175.11166	2.2
177.12743	1.3
182.08406	0.6
187.17166	0.7
189.11244	3.1
193.12250	1.0
205.12196	1.5
211.13281	0.9
223.13304	17.1
227.12761	4.7
239.23730	1.5
245.13724	0.6
245.18951	1.4
249.14839	3.2
255.17430	0.8
257.24689	0.8
267.15973	2.1
273.18497	11.2
291.19556	87.9
292.20020	1.9
293.21140	1.1
309.20544	1.1
311.25827	0.8
313.27377	70.3
314.27640	1.9
347.22134	1.9
365.23239	61.1
366.23520	1.5
469.41650	0.6
477.28094	0.7
505.38937	1.2
523.39978	5.8
535.39282	1.0
574.68170	0.6
585.45117	1.9
603.46204	100.0
604.46429	4.6
621.47253	0.6
703.73859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	97.8
69.03417	3.6
69.07068	31.9
70.96320	3.9
73.02908	7.3
79.05493	45.1
81.03410	2.7
81.06574	4.6
81.07053	87.8
82.92136	1.9
83.04966	2.3
83.08614	15.5
85.02904	26.0
85.06538	2.4
87.57024	2.0
91.03957	16.5
91.05478	34.5
93.07046	54.9
95.04943	4.2
95.08604	76.2
97.02878	12.2
97.06532	6.8
97.10165	8.1
99.08127	2.2
101.80538	2.0
105.07028	23.9
107.08589	28.2
109.06536	2.1
109.10157	32.5
111.08065	2.9
117.07038	5.2
117.35767	2.0
119.08577	17.5
121.10137	28.2
123.11705	11.1
127.03905	5.6
131.08566	13.2
133.10129	17.4
135.11702	18.7
137.13248	7.0
139.11147	2.3
145.04945	8.5
145.10110	12.6
147.11703	11.3
149.13245	14.4
159.11696	10.5
161.13242	10.8
163.06024	8.8
163.14799	6.1
171.11691	1.9
173.13286	6.4
175.14827	7.6
177.16449	2.4
185.13260	2.5
187.14821	2.9
199.14838	3.1
201.16374	3.0
243.18712	1.9
243.21045	9.1
245.22624	5.0
259.20554	8.5
261.22116	30.0
263.23801	5.0
317.24600	5.1
333.24286	5.1
335.25778	85.2
336.26343	3.8
337.27356	100.0
338.27557	3.3
339.28885	10.3
523.44879	5.6
565.37836	2.1
597.48737	47.6
615.49817	55.9
769.63171	2.4
772.89594	2.3
835.56097	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	954.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	60.5
69.03420	3.2
69.07071	14.5
71.04974	1.9
71.41737	0.7
73.02908	3.1
77.03934	0.8
79.05496	40.9
81.03419	2.1
81.07058	61.3
83.04984	1.5
83.08624	10.0
85.02909	16.6
85.06537	1.0
91.03960	9.3
91.04897	1.2
91.05478	24.5
93.07044	51.3
95.04955	4.9
95.08608	48.8
97.02895	10.7
97.06528	2.6
97.10170	3.4
99.04443	1.2
99.08072	1.6
103.41150	0.7
105.04526	1.3
105.07034	21.7
107.08598	26.9
109.06509	1.5
109.10162	24.3
111.08070	2.9
111.11733	0.9
112.93591	0.7
115.05434	1.8
117.07017	7.9
119.08584	16.1
121.10143	22.4
123.08091	1.5
123.11718	8.0
127.03918	4.9
129.06966	1.5
131.07600	1.0
131.08560	14.9
133.10143	17.9
135.11697	15.1
136.55641	0.6
137.13243	2.7
143.08557	2.7
145.04967	5.9
145.10124	11.8
145.27458	0.7
147.11707	12.3
149.09627	1.3
149.13269	9.0
151.11172	0.7
157.10124	1.3
159.11702	10.2
161.13263	9.2
163.06059	6.4
163.14848	4.5
169.10286	0.8
171.11697	2.5
173.13266	8.8
175.14839	4.4
177.16376	1.8
185.13318	2.1
187.14810	4.7
189.16359	0.8
191.14281	0.9
195.11815	0.8
197.13310	0.9
199.14798	1.5
201.16446	1.7
203.18068	0.8
213.16510	0.9
215.17993	0.9
217.19469	0.9
219.17494	0.8
231.21106	0.9
240.85178	0.7
241.19566	5.0
243.21147	6.0
245.22751	0.8
257.22614	0.8
259.20651	9.1
261.22174	23.1
263.23785	1.7
271.20627	0.9
275.20175	0.9
277.21619	1.4
287.23679	0.9
291.23151	0.8
315.23410	0.9
317.24710	3.2
333.24252	8.7
335.25800	100.0
336.26050	2.1
337.27451	12.7
342.00104	0.7
489.36023	1.4
517.38300	0.9
521.43604	2.8
539.44995	1.0
543.39398	1.4
595.47241	18.0
613.48230	23.3
614.48505	1.9
954.57562	3.8
954.73981	0.8
989.86475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.0
69.69932	4.3
70.95798	0.8
73.56199	0.8
76.62431	0.7
81.03414	4.7
85.02898	3.5
97.29235	0.7
98.20933	2.2
103.05450	1.5
109.02862	1.4
110.74976	0.7
117.03382	0.8
119.04941	1.2
131.04958	1.6
137.02342	0.8
145.02815	0.9
147.04399	2.2
157.02832	2.4
163.03879	3.1
169.06529	1.1
173.02339	2.7
174.41539	0.7
175.03909	3.6
181.06497	0.9
185.02368	1.7
187.03906	6.0
191.03366	2.5
193.01167	0.7
195.02873	2.5
197.05957	2.2
199.03886	0.8
201.01842	7.8
201.05478	1.1
203.03404	6.6
209.05978	2.0
211.03899	0.9
213.01764	5.5
213.05391	1.7
215.03357	5.3
215.06923	1.1
217.04938	0.7
218.02036	0.7
219.02916	2.7
221.06023	1.7
225.05547	3.9
227.07002	1.3
229.01315	7.0
229.04942	1.8
231.02882	27.4
232.03439	0.8
235.03922	1.1
237.05455	2.7
239.03320	1.2
241.01317	4.8
241.05049	2.2
243.02820	1.2
243.06557	1.5
247.02321	8.3
249.05487	1.1
251.03305	1.7
253.04938	5.6
255.02769	1.1
255.06674	1.5
257.00818	7.1
257.04266	1.6
259.02374	38.1
260.02945	1.0
263.03305	1.6
265.04883	3.3
267.02927	1.0
267.06644	1.9
269.04514	4.0
269.32843	0.8
271.02371	1.3
271.06000	2.2
273.03809	0.9
275.01801	12.6
276.02621	11.9
277.03421	100.0
278.03723	2.1
279.02896	2.2
281.04422	9.6
282.05130	1.1
283.02499	2.0
283.06003	3.1
285.00290	5.8
285.03906	4.1
287.01804	1.0
289.03232	1.8
291.03110	0.9
291.06204	1.2
293.04410	4.2
295.02441	2.0
295.06003	1.9
297.03918	4.9
299.02115	1.4
299.05502	4.7
300.02692	1.4
301.03433	2.9
302.00659	1.3
303.01340	89.1
304.01569	1.8
305.04425	2.6
307.02499	1.8
307.05981	1.9
309.03937	6.5
311.01874	1.7
311.05466	3.4
313.03339	6.6
314.04269	1.7
315.01459	2.1
315.05081	1.3
317.04254	1.1
319.02328	1.0
319.05893	1.7
321.03506	4.3
323.01797	2.5
323.05569	2.0
325.03455	5.4
325.06906	1.3
326.04175	0.9
327.01578	1.1
327.04996	14.5
329.02951	2.1
329.06647	1.1
333.04074	1.4
335.05356	3.0
337.03384	7.4
338.04117	1.6
339.01306	2.4
339.05023	6.4
340.02048	1.4
340.99359	1.3
341.02841	5.9
343.00830	1.6
343.04257	4.1
345.03030	1.0
349.03400	3.0
351.01160	2.0
351.05096	3.3
353.02881	5.2
353.06711	1.5
354.03619	2.8
355.00961	1.0
355.04556	10.1
357.02402	6.9
357.06061	1.4
359.04282	1.6
361.03345	1.6
363.04932	2.7
365.02798	8.0
367.00629	1.7
367.04477	6.3
369.02386	8.4
371.00128	1.8
371.04019	2.7
373.02002	2.2
375.05179	1.0
377.02988	2.9
379.00385	1.3
379.04437	2.5
381.02155	4.0
381.06534	1.6
382.03165	1.2
383.04037	18.2
384.00595	1.2
385.01797	2.2
387.04129	1.8
389.02829	1.6
391.04678	1.8
393.02164	5.4
394.99438	6.2
395.04779	6.0
397.01852	3.0
397.05933	1.8
399.03317	2.2
403.04602	1.5
405.02371	2.8
406.99875	1.3
407.04541	1.7
409.01575	2.2
409.06137	1.4
411.03461	13.7
413.00958	14.6
419.04254	1.3
421.01797	7.0
423.03418	5.6
425.05679	5.3
427.02887	3.3
437.00720	1.3
437.05756	1.5
439.02930	15.0
441.04605	7.5
449.01346	2.9
451.02402	5.8
453.04700	6.0
455.02637	3.4
457.04047	9.0
461.04816	2.2
463.06717	1.6
465.04434	2.3
467.02368	21.0
469.04068	11.4
471.05481	1.1
473.04526	1.2
475.05084	28.0
477.00833	3.2
479.06070	3.2
483.01291	1.3
485.03333	3.5
487.04807	3.9
489.03561	4.4
490.03836	1.5
491.06308	4.8
495.01834	14.5
499.04462	1.1
503.04474	1.7
507.05832	5.3
509.07211	3.7
511.05899	1.0
513.03015	28.1
517.04309	3.9
523.04987	1.2
525.06378	3.1
531.04132	15.7
535.04962	5.0
541.06067	2.4
543.07507	2.2
547.03217	3.4
553.06122	9.4
558.25470	0.8
571.07184	14.2
579.04083	1.1
587.06354	0.9
589.08240	9.7
597.04773	2.2
615.05725	2.9
633.06964	4.9
651.08160	4.0
701.14056	1.0
891.08331	1.7
935.06830	1.6
953.08850	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	953.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62006	1.1
69.03424	1.8
71.55344	1.4
81.03411	2.7
85.02888	2.7
88.04805	1.0
88.24887	1.0
90.89485	1.0
91.05472	1.4
97.02892	1.4
101.02370	1.0
103.05470	2.1
109.02866	2.3
117.49661	1.0
127.03923	1.3
131.04915	1.7
139.85335	0.9
143.54633	0.9
147.04408	1.8
153.01828	6.9
157.02841	1.6
163.03882	1.5
163.85670	1.1
173.02231	2.3
175.03899	3.2
185.02385	3.2
187.03922	6.6
191.03384	1.9
193.01334	2.1
195.02864	2.3
197.06042	1.5
201.01863	4.6
203.03387	6.3
209.06027	1.5
213.01866	6.7
213.05382	1.1
215.03384	5.7
219.02853	3.2
221.06071	1.4
225.05455	3.0
227.03516	1.3
229.01297	5.3
231.02867	32.7
237.05461	3.1
241.01352	6.0
241.04921	2.1
247.02342	7.2
251.06859	1.1
253.05014	2.8
255.06297	1.0
257.00824	8.9
257.03409	1.2
257.04343	1.2
259.02383	47.6
260.02652	2.0
263.03439	1.6
265.04916	4.3
269.04440	2.7
271.02408	1.8
271.05984	1.3
275.01834	10.5
276.02493	6.1
277.03415	100.0
278.03757	3.1
279.06393	1.4
281.01556	1.0
281.04388	4.8
283.02277	2.6
283.05692	1.2
285.00293	4.8
285.03961	3.8
287.01837	1.9
293.04425	4.2
295.02338	2.1
295.06018	1.5
297.03931	3.5
299.02167	2.0
299.05469	2.8
301.02963	1.4
303.01349	61.2
304.01654	4.3
305.04614	2.3
307.02304	1.7
307.05829	1.7
309.03909	6.3
311.02130	1.2
311.05475	2.9
313.03433	3.4
315.01425	1.2
319.06003	1.1
321.04062	5.9
323.01993	2.3
325.03345	4.0
327.01297	2.4
327.04980	6.2
329.02829	1.9
333.03925	1.7
335.01666	1.8
335.05362	2.0
337.03445	7.5
339.01248	2.5
339.05072	3.6
341.02911	4.0
345.02731	2.0
349.03314	3.5
350.04132	1.6
351.01273	2.6
351.04953	2.6
353.02859	4.8
354.03458	1.6
355.00726	2.9
355.04645	3.1
357.02441	3.1
361.03168	1.4
363.05115	1.4
365.02979	7.3
367.04346	4.5
369.02444	6.3
369.06381	1.2
373.01929	1.3
377.02771	4.1
379.04617	2.3
381.02185	4.9
382.99884	1.9
383.04266	6.4
387.03964	2.0
389.02634	1.5
391.04608	2.1
393.02161	6.4
395.00510	1.4
395.04248	10.2
397.01520	2.2
399.03668	2.2
405.02222	1.7
407.04062	1.9
409.01773	2.5
411.03616	7.3
413.01346	4.0
421.01733	8.1
423.03442	7.8
425.00974	2.0
427.02658	2.3
435.03616	2.1
437.01157	5.1
438.01083	1.3
439.02905	9.2
441.04657	1.9
447.03372	1.4
449.01279	2.5
451.02716	3.6
453.04507	3.3
455.02301	4.3
457.03702	4.4
467.02408	14.3
469.03979	8.5
470.04053	1.8
471.02252	3.4
475.04907	3.8
479.05887	1.5
481.03955	1.7
483.01123	4.6
485.03439	3.7
489.03659	5.3
493.04141	1.5
494.95053	2.0
495.01913	28.8
496.02197	2.2
507.06076	5.5
511.01120	5.3
513.03070	13.8
517.03821	2.9
523.04993	2.5
531.03693	3.4
533.03510	1.1
535.05029	6.6
551.04852	1.2
553.05847	3.4
560.17670	1.3
569.05701	2.1
571.06946	2.2
587.06641	3.0
597.05188	1.4
615.05762	3.1
633.07190	2.4
935.07507	5.3
953.09210	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	937.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99784	0.3
69.03416	0.6
70.07549	1.2
79.01855	9.1
81.03420	5.9
81.06686	0.3
85.02908	2.0
91.05478	1.0
97.02892	1.5
98.20894	0.6
98.21433	0.3
103.05470	1.5
105.03403	0.4
107.01314	2.0
109.02886	1.1
115.05492	0.6
119.04941	1.1
125.02339	4.6
127.03932	1.0
128.56483	0.3
129.03345	0.7
131.04922	1.3
133.47852	0.3
140.71507	0.3
143.03398	9.2
143.05026	0.5
145.02823	0.4
147.04408	1.5
153.01833	93.6
153.02904	5.5
154.02193	0.9
157.02876	2.2
159.04353	1.5
163.03961	0.4
171.03017	0.6
171.04411	1.5
172.47487	0.3
173.02356	1.3
175.03929	3.0
185.02420	2.4
187.02245	0.5
187.03911	7.8
189.01805	0.3
189.05469	0.5
191.03357	0.6
199.03900	2.4
201.01816	1.0
201.05336	0.3
203.03386	5.7
205.05096	0.8
207.04503	0.3
209.05911	0.4
211.03926	0.7
213.01834	5.2
213.05455	0.5
215.03384	7.5
217.01392	0.6
227.03378	2.5
229.01355	1.5
229.04982	0.7
231.02885	27.4
232.03349	0.6
233.04514	0.8
237.05624	0.7
239.03456	0.8
241.01329	4.4
241.04965	1.1
243.02901	3.2
245.00882	0.3
245.04489	1.3
247.02345	2.5
253.05055	0.3
255.02817	2.1
255.05034	6.3
257.00684	1.5
257.04376	0.5
259.02390	43.1
260.02930	1.0
261.03882	1.5
265.05048	0.9
267.02924	0.4
267.06656	0.5
269.04471	1.4
271.02377	4.6
273.01010	0.5
273.03976	2.9
275.01776	2.6
276.02661	1.4
277.03436	100.0
278.03793	2.8
281.04361	0.5
283.02441	2.3
283.05255	0.5
285.00476	0.5
285.03638	0.5
287.01923	0.7
287.05316	0.5
289.03442	7.7
293.04437	0.8
297.03824	2.7
299.01871	10.0
300.02219	0.7
301.03424	7.5
303.01370	18.8
304.01718	0.4
305.02887	5.0
309.03885	0.5
311.01785	0.8
311.05392	1.0
313.03320	2.4
314.04300	0.4
315.01343	6.7
315.05060	1.5
316.01984	0.6
317.02942	2.7
321.02304	1.9
323.02054	0.4
325.03467	1.4
327.01346	5.3
327.04926	0.8
328.99252	2.9
329.02896	1.2
329.06274	0.5
331.00812	2.4
331.04449	0.7
333.02423	0.4
337.03229	1.0
339.01419	1.3
339.05124	1.1
341.02972	2.6
341.06622	0.5
343.00983	0.6
343.04510	2.2
345.02414	44.5
346.02707	1.0
349.02917	0.4
355.04498	1.3
357.02362	0.3
357.06326	0.7
359.03793	0.4
361.01779	0.8
365.02832	1.0
367.04559	1.8
369.02478	1.6
371.04199	0.5
381.02396	0.9
383.03949	1.0
385.05481	2.8
387.03519	4.0
393.02634	1.7
399.03281	1.2
411.03519	4.2
429.04565	1.8
447.05667	1.8
465.06784	0.8
575.06598	0.6
581.05432	0.4
599.06586	1.0
617.07513	1.1
937.09497	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	952.511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	100.0
68.05820	1.4
69.03426	13.7
69.07071	37.9
69.44774	7.6
69.45181	2.7
71.01344	4.5
71.04996	9.0
73.02908	5.4
73.03265	1.3
79.05496	73.3
81.03421	81.8
81.07058	90.9
82.03743	1.3
82.04200	2.3
83.04987	27.9
83.08133	2.4
83.08620	33.0
83.28124	1.1
85.02908	36.2
85.06572	6.9
91.03970	6.5
91.05482	90.1
93.07047	67.0
95.04974	46.4
95.08608	41.6
97.02895	18.6
97.06541	23.1
97.10172	15.5
98.07301	1.6
98.21317	4.1
99.04453	2.2
99.08099	4.4
103.05475	1.9
105.04488	2.3
105.07033	55.4
107.04961	20.3
107.08597	36.2
109.02878	3.5
109.06530	13.7
109.10153	29.5
110.07430	1.3
110.63278	1.4
111.04435	4.6
111.08088	19.7
113.06025	2.5
113.09668	2.1
115.05434	4.4
116.04701	3.2
117.07020	17.2
119.04922	2.4
119.08589	44.5
121.06548	7.1
121.10146	23.9
121.11014	1.9
123.04469	2.1
123.08067	12.4
123.11722	5.2
125.05964	1.5
125.09634	11.5
127.03934	7.0
127.07587	2.5
128.06197	3.3
129.05516	10.7
129.07014	18.1
131.08580	30.8
133.06493	5.6
133.10130	35.9
135.08035	8.0
135.11691	17.0
137.09625	12.2
139.11104	1.4
141.06978	1.6
142.07796	5.0
143.06990	2.7
143.08554	5.8
145.04985	2.9
145.06502	1.7
145.10129	17.6
147.08026	8.5
147.11707	27.4
149.09618	22.5
149.13300	10.4
151.11200	4.8
153.09079	1.9
153.12682	1.8
155.08528	3.7
155.10612	2.5
157.08719	3.2
157.10120	20.9
159.11716	10.9
161.09663	2.8
161.13268	3.6
163.06041	2.8
163.11180	11.0
165.09103	1.8
165.12848	6.1
169.10184	2.5
171.10197	2.7
171.11703	3.7
173.04462	2.9
173.09709	1.9
173.11729	9.4
173.13300	4.7
175.11200	19.8
177.12750	5.4
179.14345	3.6
181.12213	3.1
183.11694	3.0
185.11784	1.4
187.11226	2.7
187.13257	2.3
189.11209	3.5
189.12772	1.9
191.10539	1.7
191.14299	1.5
193.12248	65.1
195.13858	3.7
197.13278	2.5
199.13309	5.3
205.12276	1.3
209.11775	3.0
211.13297	70.4
217.15996	2.4
223.13274	1.3
227.12788	7.8
229.14331	10.4
229.19572	1.6
239.18062	3.4
243.16002	6.0
247.20473	1.5
253.14345	3.7
255.15840	14.5
257.18903	6.1
267.15921	39.6
268.16486	1.6
269.17465	21.8
273.18539	5.7
275.20078	26.7
283.15372	8.1
285.16968	60.4
288.38501	1.3
291.19504	6.7
293.21039	3.1
301.16473	11.9
331.22736	1.6
347.21994	1.5
349.23746	30.6
365.23215	5.8
367.24591	1.5
381.22632	2.9
383.24164	2.0
393.26389	2.4
409.26212	2.3
411.27356	2.8
421.25778	7.3
423.27515	7.4
435.27399	2.9
439.26941	23.8
447.27310	4.1
453.28445	5.5
459.27484	1.4
461.28943	5.5
462.29828	1.5
465.28870	6.3
477.28610	4.0
478.29288	1.8
479.29663	4.3
481.27924	6.7
495.29529	17.9
541.35187	17.3
557.34796	3.8
559.28369	2.6
559.36292	31.7
575.35693	9.1
577.37207	4.2
593.36432	3.0
639.32996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	9.3
69.07063	5.7
70.17312	1.1
71.08633	18.6
71.57610	1.1
74.68704	1.1
79.05492	6.7
81.03419	52.2
81.07056	15.1
83.04980	2.3
83.08617	14.8
85.02909	4.7
85.10186	11.0
91.03942	2.4
91.05476	9.8
93.07037	5.0
95.04975	14.6
95.08607	15.6
97.02889	4.1
97.10191	6.6
105.07019	8.4
107.04944	4.2
107.08620	2.2
109.06503	2.6
109.10138	7.2
111.08080	5.4
115.05473	2.0
119.08580	6.3
121.06508	1.9
121.10148	3.4
121.22918	1.2
123.04363	1.2
123.08076	1.4
123.11716	2.3
127.49889	1.1
129.07024	7.3
130.62819	1.1
131.08578	4.5
133.06503	1.8
133.10098	2.9
137.13297	1.9
142.07849	1.2
145.04942	1.4
147.08028	2.0
147.11681	5.4
149.09641	2.5
157.10136	7.1
163.05998	1.8
163.11110	1.5
165.12721	1.1
175.11177	6.0
193.12273	19.7
211.57718	1.6
237.39529	1.2
259.13254	1.4
267.15915	100.0
268.16318	2.5
285.27756	2.4
301.14453	2.5
309.16977	3.8
313.47195	1.4
341.30499	94.2
342.30942	2.3
382.65228	1.3
519.13843	1.2
530.42487	1.1
533.42029	81.3
534.42004	2.9
565.26099	1.3
575.43005	5.3
629.43903	3.2
677.46460	2.5
741.58490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.4
69.03430	3.1
71.01357	0.7
71.05021	0.6
71.08632	0.7
71.10346	1.3
71.10683	0.7
73.02929	2.7
79.05483	1.1
81.03422	1.6
81.07066	2.2
84.23785	0.7
85.02903	5.4
85.10234	0.6
91.03958	3.2
93.07033	1.6
95.08626	2.2
97.02881	5.9
98.21018	0.9
100.94765	0.7
101.02391	1.6
103.03998	0.6
107.08617	0.8
127.03942	1.3
210.47885	0.7
243.08479	2.2
315.95462	0.6
347.09610	2.5
405.13513	4.9
436.03094	0.6
497.30859	3.4
519.29498	4.0
659.36188	2.9
681.34613	5.9
937.58575	100.0
938.59583	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	936.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.3
67.05508	57.0
69.03430	2.1
69.07072	13.4
71.04987	3.2
71.57811	1.5
79.05053	3.1
79.05499	42.2
80.44082	1.4
81.03423	86.6
81.07061	63.4
83.04984	5.8
83.08633	20.8
83.85783	1.5
85.02895	10.1
85.06554	3.3
91.03956	4.7
91.05486	31.1
93.07054	41.3
95.04966	26.9
95.08610	41.5
97.02912	7.9
97.06529	3.2
97.10161	7.3
99.08082	2.1
105.04517	1.5
105.07043	27.0
107.04976	8.9
107.08604	27.5
109.06514	6.2
109.10162	23.7
111.04460	1.6
111.08096	7.9
115.05453	2.9
117.07024	6.5
119.08582	22.7
121.06524	3.8
121.10142	23.8
123.04462	3.3
123.08054	4.3
123.11749	7.6
125.09645	4.3
127.03855	2.2
129.06998	12.1
131.08582	18.5
133.06567	3.7
133.10138	17.1
135.08083	1.8
135.11711	11.2
137.09628	2.9
137.13306	2.4
142.07793	2.8
143.08562	2.7
145.04955	3.0
145.10133	10.2
147.04442	2.2
147.08087	5.0
147.11696	15.8
149.09657	7.4
149.13261	4.3
157.10144	10.9
159.11694	8.4
161.13260	5.1
163.06052	4.3
163.11188	2.7
163.14862	5.4
165.12764	1.7
171.11746	2.8
173.13283	5.0
175.11261	8.4
175.14833	2.4
177.16418	2.0
183.11748	2.2
185.13190	2.7
187.14891	2.9
189.05493	1.6
189.11266	3.4
193.12247	23.2
201.16315	2.1
211.13185	2.1
223.13284	1.6
227.12729	11.1
235.13173	3.1
243.15622	1.7
243.21140	6.7
249.14885	3.6
261.22174	17.3
267.15936	100.0
279.23215	2.4
301.14185	2.5
301.25314	5.9
309.16986	4.0
317.24854	4.0
335.25821	82.7
403.24747	2.0
421.25546	2.5
435.32748	3.4
453.33578	7.0
471.34662	5.7
475.31201	1.9
509.35931	1.9
527.37347	78.1
528.37677	2.1
545.38403	75.8
546.38318	2.6
564.84296	1.6
569.38544	9.5
577.40802	2.6
587.38727	2.1
611.38556	2.6
623.39087	3.1
635.39545	3.7
653.40234	3.4
671.41211	3.7
740.77917	1.8
919.28503	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	936.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	4.6
67.05507	64.0
69.03430	12.7
69.07068	28.5
70.10048	2.4
70.10436	3.0
71.04994	8.0
73.02908	4.6
76.41559	1.2
79.05494	64.9
81.03420	74.2
81.07059	85.8
83.04983	24.0
83.08621	31.9
85.02906	35.4
85.06538	4.7
91.03945	3.4
91.05482	70.3
93.07048	62.8
95.04972	34.2
95.08608	29.8
97.02906	11.5
97.06522	17.2
97.10197	8.2
98.21381	1.8
99.04433	1.9
99.08088	5.2
99.29506	1.4
105.07037	54.4
107.04955	13.4
107.08595	33.0
109.02866	3.9
109.06547	9.3
109.10150	11.6
111.04464	3.5
111.08074	14.0
113.06015	3.5
113.09634	1.4
115.05464	2.3
117.07021	16.9
119.07778	2.6
119.08589	36.1
121.06541	6.0
121.10149	21.0
123.08070	5.5
123.11693	6.6
125.09626	6.3
127.03929	6.9
127.07570	1.7
129.07001	16.4
131.08571	31.9
131.67656	1.2
133.06487	4.0
133.10132	32.5
135.08054	4.5
135.11710	15.6
135.12733	1.9
137.09624	5.2
141.07007	2.1
142.07793	4.3
143.08553	5.1
145.06487	2.4
145.10121	18.4
147.08084	5.1
147.11696	24.2
149.09619	18.8
149.13258	11.1
151.11171	3.1
155.08540	3.5
157.10132	23.1
159.11707	14.3
161.09656	3.1
161.13301	4.3
163.05977	1.7
163.11174	10.6
165.12772	5.6
169.10118	3.6
171.11693	4.6
173.04477	3.3
173.13274	5.8
175.11203	18.2
177.12717	3.3
179.14372	2.1
183.11806	3.1
189.11215	1.5
193.12242	48.7
195.13768	6.0
197.13280	2.6
199.14929	1.7
201.12675	1.5
205.43269	1.4
211.13286	57.0
213.14807	1.4
218.30742	1.2
227.12685	6.3
229.14413	1.5
239.17905	2.3
247.20691	1.4
249.14819	3.0
251.16396	1.5
255.15927	17.0
257.19046	8.5
267.15894	36.7
269.15161	0.8
269.17480	32.2
275.20047	31.5
285.16965	55.5
293.21121	3.3
321.24448	1.6
331.22607	2.9
349.23755	30.6
367.24701	5.1
387.25089	2.1
413.21530	2.3
421.25833	2.5
439.26859	2.9
443.27689	4.5
447.27280	10.0
454.42941	1.6
461.28995	44.1
465.28519	25.2
479.30035	100.0
480.30548	3.1
501.32724	1.3
519.33118	1.8
523.34515	2.0
541.35236	20.6
559.36359	44.6
560.36890	2.6
577.37207	12.7
580.04736	1.5
605.32660	1.9
614.07886	1.8
623.34106	6.8
703.40283	1.9
721.41382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51408	7.0
73.54892	0.9
81.03404	3.5
85.02881	2.8
89.03946	1.5
91.05452	1.4
95.01334	2.5
98.20763	2.1
98.21395	2.7
103.05477	1.7
109.02872	6.6
123.04458	1.1
133.02864	1.6
133.38824	1.0
137.02319	5.1
145.02878	1.1
146.03621	1.6
147.04428	2.9
151.03864	1.4
157.02856	1.7
161.02267	2.4
163.03886	5.2
165.01846	2.2
165.06915	1.4
166.02710	1.3
167.03325	1.1
173.02333	4.1
175.03857	3.2
176.04611	1.3
177.01814	3.1
179.03377	2.3
181.06462	2.8
185.02385	1.6
187.03894	8.4
191.03438	6.8
192.04138	2.9
193.01320	6.3
195.02899	20.5
197.06003	1.4
201.01872	7.3
202.02600	4.0
203.03403	7.1
205.01382	1.2
205.06413	1.9
207.02850	2.5
209.05980	3.1
213.01836	5.1
213.05592	1.3
215.03452	4.9
217.01392	1.1
219.02841	8.7
219.08054	1.5
220.03612	1.9
221.05960	4.5
225.05577	3.2
227.06909	1.4
229.01375	7.6
230.02095	2.6
231.02864	25.7
233.05910	1.7
235.03928	1.5
237.05486	5.5
241.01398	5.0
245.00775	1.7
247.02330	13.0
248.03151	2.2
249.05373	4.2
249.07777	1.4
251.03447	2.2
253.04933	5.2
255.06380	1.2
257.00900	5.8
258.01559	1.5
259.02359	33.8
260.02737	1.4
261.05615	1.9
263.07104	1.9
265.04980	6.6
266.05914	1.1
267.06790	1.2
269.04291	1.5
271.02911	1.2
273.00488	1.2
275.01804	20.3
275.06885	2.2
276.02646	53.5
277.03354	68.1
279.02780	1.9
279.06628	1.7
281.04434	11.4
283.06149	3.0
285.00357	4.9
289.04730	3.4
291.03079	1.5
291.06479	1.9
293.04382	7.6
295.02673	1.5
295.05948	3.1
296.03119	1.2
297.03961	2.4
300.99677	3.2
301.04474	1.4
302.00549	4.7
303.01318	54.3
304.01743	1.4
305.04535	6.4
307.02332	1.8
307.05887	2.0
309.03961	6.1
311.05334	7.4
313.03452	1.6
315.01364	1.4
315.06265	1.4
317.04440	2.5
319.02347	2.2
319.05936	2.8
321.03989	11.9
322.04166	1.2
323.01877	1.5
323.05426	3.5
325.03421	5.2
327.01633	1.3
327.04984	7.1
329.04813	1.3
331.02328	1.6
331.05951	2.7
333.03897	6.5
335.01862	2.9
335.05530	1.8
337.03445	8.6
339.05350	5.9
341.02914	1.6
343.06036	1.6
345.03958	2.3
347.01694	1.6
347.05582	2.6
349.03433	8.4
351.04993	4.0
353.02771	3.9
353.99619	1.2
355.04358	4.8
359.05524	2.5
361.03314	6.4
362.04077	1.3
363.01282	3.7
363.04999	2.8
365.02917	12.6
366.03735	1.3
367.04453	7.0
371.05801	1.4
373.03305	2.1
375.04947	3.0
377.02817	7.5
379.00171	1.1
379.04639	6.4
381.02274	5.2
383.04034	8.4
387.05127	2.6
389.02817	8.7
391.04437	4.4
393.02271	7.6
395.03979	12.6
401.02835	2.0
403.04346	3.6
405.02173	9.8
405.06076	1.0
406.03094	1.1
406.99530	2.0
407.04034	4.6
408.01099	2.7
409.01761	8.1
411.03329	5.4
415.04358	4.7
419.04175	5.0
421.01492	5.7
422.02554	1.6
423.03397	10.4
426.02087	2.1
427.02817	3.5
429.02066	1.2
431.04178	2.5
433.01926	3.6
435.03717	1.9
437.01263	31.3
437.06735	1.8
439.02960	49.1
440.03201	1.3
441.04346	3.6
443.03812	4.0
447.03445	4.2
449.01242	2.2
451.02975	25.0
453.00586	3.3
453.05386	1.7
455.02496	23.5
457.03183	3.0
459.03296	2.1
460.03705	1.4
461.04935	3.1
463.02701	5.1
464.99811	1.9
465.05209	2.0
467.02435	5.7
469.04010	100.0
470.04327	3.6
471.02887	3.1
475.02911	2.9
477.00433	1.8
477.04858	1.2
479.01752	2.2
481.03961	3.1
485.03052	2.3
487.03024	2.1
489.04984	6.8
493.04010	15.2
495.01901	61.9
496.02591	2.5
499.02954	2.3
505.04092	22.4
505.90216	1.3
507.05325	5.4
517.03973	22.2
523.05286	9.5
535.05078	24.0
537.03143	1.4
553.06091	6.0
561.02502	1.5
579.03827	2.2
597.04730	3.9
615.06195	7.9
633.07239	6.2
935.07178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
67.05506	32.7
69.03418	2.3
69.07072	11.5
69.89219	2.6
69.89626	1.8
71.04983	1.6
71.08633	17.8
73.02903	2.7
79.05062	1.3
79.05496	20.0
81.03386	1.2
81.07061	36.3
83.08625	8.6
84.73025	0.8
85.02910	13.6
85.06537	1.5
85.10184	11.1
89.06029	1.5
91.03961	10.7
91.05483	10.0
93.07046	23.5
95.04935	1.5
95.08610	38.8
97.02901	7.5
97.06517	1.3
97.10176	4.4
98.21172	2.0
99.04454	0.7
105.07018	7.1
107.08596	12.7
107.66595	0.7
109.09444	1.3
109.10158	17.2
111.11695	1.4
117.07007	3.0
119.08603	7.2
121.10152	11.6
123.11708	6.6
127.03901	4.5
129.36354	0.7
131.08566	5.8
133.10153	6.2
135.11694	9.5
137.13258	2.0
144.06538	0.9
145.04945	5.3
145.10130	5.3
147.11646	4.6
149.13246	6.3
158.82993	0.7
159.11754	4.1
161.13249	3.9
163.06029	6.8
163.14793	4.1
173.13240	3.8
175.14857	2.0
177.16275	1.3
187.14861	1.8
193.15852	0.9
201.16345	1.0
233.22636	1.2
239.23732	2.9
243.21120	8.6
257.24777	1.4
261.22156	36.8
272.90527	0.7
299.23825	0.9
313.27371	100.0
314.27841	1.8
317.24701	6.3
318.25070	0.8
335.25809	78.2
336.26035	1.3
400.59424	0.7
499.45404	0.9
564.68683	0.7
573.48785	36.4
574.50018	1.0
591.49994	8.2
644.72070	0.9
688.62939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10184	3.2
81.03407	5.4
85.02891	5.1
89.03922	1.6
91.05475	3.1
95.01321	2.7
103.05466	2.1
104.87378	1.0
107.04953	1.5
109.02870	5.6
119.04948	1.9
129.03386	2.0
131.04953	2.8
133.02843	2.8
135.04442	1.7
137.02345	3.7
145.02844	3.4
147.04404	4.5
149.02254	1.4
151.03912	1.3
153.06972	1.3
157.02856	3.6
161.02321	2.2
163.03935	6.0
165.01862	3.8
169.06560	1.3
173.02295	5.7
174.03094	1.7
175.03949	6.2
177.01877	2.4
179.03404	3.8
181.06575	1.7
185.02370	4.5
187.03909	8.6
191.03448	7.7
192.04251	2.3
193.01361	4.9
195.02922	13.5
195.04491	1.5
197.05916	1.3
201.01805	9.5
202.02617	2.9
203.03415	9.8
205.06531	1.5
207.02766	2.1
209.05983	2.8
213.01877	6.2
213.05482	1.6
215.03433	9.3
217.01335	1.2
219.02852	8.5
220.03680	1.4
221.06052	2.4
223.03943	3.4
225.05478	2.8
229.01352	11.8
230.02107	2.2
231.02888	38.5
233.06177	1.9
235.03902	2.8
237.05481	6.8
239.03412	1.4
241.01303	7.4
241.04897	2.8
245.06009	1.3
247.02362	16.8
247.07596	2.3
248.03011	1.5
249.05508	5.0
251.03461	1.7
253.04893	8.2
255.06581	1.7
257.00861	10.5
257.04129	1.2
259.02393	53.4
260.02811	2.0
261.05701	2.4
263.03421	2.4
263.07196	1.5
265.04904	7.0
267.02945	2.2
267.06372	2.1
269.04401	4.7
273.05530	2.2
275.01819	29.8
275.06564	1.5
275.99692	2.0
276.02667	35.3
277.03418	100.0
278.03674	2.4
279.02805	3.7
281.04404	13.8
282.05093	1.7
283.05994	3.5
285.00363	9.5
287.01968	2.1
287.07040	2.3
289.04807	4.1
291.03110	2.7
291.06485	3.3
293.04337	7.1
295.02493	2.9
295.05801	1.7
297.03912	7.9
299.02060	2.6
299.05417	2.7
300.99805	4.9
301.04892	2.1
302.00656	3.4
303.01349	88.7
303.06802	3.9
304.01544	2.2
305.01166	1.5
305.04398	6.8
307.02371	5.9
307.05658	2.2
308.03055	1.6
309.03885	9.3
310.04620	2.0
311.01968	2.3
311.05450	5.4
313.03256	2.0
315.01404	2.2
317.04401	2.8
319.02365	3.3
319.06036	5.2
321.04166	10.3
323.02072	2.9
323.05493	3.8
324.02600	2.4
325.03467	10.4
326.03714	1.5
327.04929	9.7
329.04507	2.1
331.02457	1.9
331.06009	4.9
333.04147	6.6
334.04538	1.6
335.01767	5.1
335.05582	3.5
337.03458	15.0
338.04037	1.4
339.01389	1.9
339.04971	7.6
341.03601	2.8
345.03775	4.9
347.01855	2.9
347.05511	3.8
349.03403	10.7
351.01294	5.6
351.05029	5.3
352.02228	1.6
353.02936	11.9
355.04483	7.6
357.03543	1.3
359.05774	5.5
361.03510	7.9
363.01276	10.6
363.05121	3.5
365.02924	19.1
367.04639	8.5
369.03577	1.7
371.05383	2.5
373.03448	4.1
375.00922	1.8
375.05060	5.0
377.02817	9.7
377.06812	2.6
379.00659	4.4
379.04828	7.3
381.02344	10.3
383.04092	11.9
386.04132	1.5
387.05023	8.4
389.02744	8.1
389.07065	2.3
390.03378	1.5
391.00183	2.4
391.04895	6.6
393.02307	15.0
395.03992	11.9
399.04410	1.8
401.03091	2.5
402.03519	1.5
403.04343	5.3
405.02261	12.8
406.99615	8.3
407.04379	3.6
408.01077	5.4
409.01782	17.4
409.06546	2.1
411.03409	9.2
413.04489	2.8
415.04575	5.9
419.04086	9.0
421.01782	13.4
422.02609	4.6
423.03461	10.0
425.01068	1.4
426.02283	3.6
427.03036	6.3
429.02115	2.8
431.03815	4.0
433.01208	5.6
434.02203	1.8
434.98712	2.3
435.03482	5.1
437.01324	71.9
438.01575	2.9
439.02972	73.0
440.03317	2.5
441.04086	5.3
443.03967	7.5
446.02631	1.8
447.03540	8.6
449.01294	4.1
450.97302	1.8
451.03000	27.1
453.00476	4.5
453.04956	4.9
454.01624	2.7
455.02460	53.8
456.02939	2.6
457.03415	2.9
459.03381	4.8
461.05017	5.0
463.03268	12.2
464.99677	1.9
465.04648	5.0
465.10410	1.4
467.02170	10.1
468.02896	2.6
469.04047	71.1
470.03989	2.2
471.03714	8.1
472.02841	4.9
473.04684	1.9
475.03201	7.0
477.05124	3.0
479.01678	2.1
479.06665	2.4
481.00119	4.5
481.04660	2.5
485.03336	4.5
487.03058	5.7
489.04510	15.8
491.02298	2.8
493.04001	33.8
495.01904	46.5
496.02203	2.0
499.02670	4.0
504.96863	2.4
505.04056	48.0
506.04443	2.5
507.05899	8.6
511.04749	1.6
513.02466	1.3
517.04059	45.2
518.04437	2.0
523.05176	14.5
535.05078	51.3
536.04883	2.6
553.06036	9.0
561.03186	3.4
579.04169	2.1
597.05389	6.4
615.06238	17.4
633.07434	8.6
917.06396	1.8
935.06689	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	930.562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.0
67.05508	55.0
69.03429	3.9
69.07070	6.7
71.01345	1.0
71.04994	5.6
71.08634	19.0
71.18270	0.8
71.18618	0.5
73.02892	2.3
79.05499	5.9
79.60841	0.4
81.03425	4.7
81.07059	20.2
83.04958	2.3
83.08624	11.8
83.86767	0.6
85.02909	7.9
85.06516	1.7
85.09706	0.7
85.10183	9.5
87.04471	42.6
89.05994	0.9
91.03957	4.2
91.05483	4.8
93.07040	4.3
95.04939	1.9
95.08612	18.4
97.02888	5.1
97.06519	0.9
97.09621	0.7
97.10175	9.6
99.04449	7.2
99.08065	0.9
103.07530	0.8
105.06982	0.8
107.04951	1.2
107.08592	4.8
109.06513	0.5
109.10159	53.6
110.10504	0.7
111.04423	0.9
111.08058	2.3
111.11722	1.2
115.03914	1.1
119.08582	4.1
121.10146	1.0
123.11724	2.6
125.09640	4.0
127.03957	2.6
131.08554	0.6
135.11642	0.8
137.09639	2.6
137.13203	1.3
145.04938	1.6
145.10103	0.7
149.09584	0.7
155.10680	3.1
163.05974	1.4
163.11194	1.4
173.04451	0.9
173.11746	16.5
191.10701	0.7
193.12245	0.9
199.13292	5.7
204.96533	0.5
209.11772	0.9
212.65892	0.5
227.12817	2.1
229.14363	55.9
230.14763	1.1
239.23712	4.7
241.14349	1.8
257.13861	3.0
257.24619	0.9
265.14227	0.6
267.15933	3.5
271.58752	0.6
283.15558	1.5
313.27374	69.1
314.27667	2.6
315.17987	6.8
341.26920	5.2
349.23813	0.9
437.36240	2.7
455.37311	8.8
467.37338	100.0
468.37650	4.8
477.22806	0.6
505.38776	2.8
521.38354	0.8
539.39325	1.0
553.40704	1.8
571.42194	0.9
715.46112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.9
67.05505	61.4
69.03428	18.3
69.06713	2.6
69.07067	35.4
71.04991	6.8
71.58190	1.9
72.94383	1.3
73.02898	2.2
77.03964	1.6
79.05492	64.0
79.05957	3.1
81.03419	59.6
81.07058	65.8
83.01347	4.3
83.04990	21.9
83.08617	31.1
85.02902	28.6
85.06532	4.0
85.64976	1.3
91.03941	4.8
91.05482	62.3
93.06464	3.2
93.07043	60.0
93.48299	1.2
95.04967	28.2
95.08039	2.8
95.08601	29.8
97.02887	18.7
97.06537	15.4
97.10187	17.9
99.04440	3.3
99.08089	1.7
105.03399	1.4
105.07029	51.6
107.04950	21.6
107.08596	35.0
109.02840	2.3
109.06511	10.0
109.10147	15.7
111.04421	4.3
111.08057	8.6
113.06000	2.3
115.05458	2.0
117.07023	16.8
119.04932	1.5
119.07781	2.5
119.08586	37.5
121.06525	7.0
121.10138	19.7
123.04468	1.9
123.08076	9.6
123.11677	3.9
125.05964	2.7
125.09645	12.8
127.03918	4.2
128.06210	3.6
129.07013	13.6
130.07773	2.8
131.08575	27.0
133.06526	6.4
133.09218	2.5
133.10129	27.3
135.08087	7.9
135.11703	14.7
137.09604	4.3
141.06995	2.6
142.07768	2.5
143.08545	6.7
145.04976	2.8
145.06451	2.5
145.10130	24.4
147.08060	9.7
147.11678	16.8
149.05994	1.7
149.09630	12.0
149.13281	6.6
151.11180	4.4
153.12665	1.7
155.08571	3.3
157.10129	13.9
159.08041	1.8
159.11696	8.7
161.09601	6.3
161.13336	2.7
163.05965	1.6
163.11201	17.2
165.09105	3.0
165.12755	2.4
169.10170	1.8
171.11728	2.9
173.04536	1.8
173.09581	2.7
173.13245	2.2
175.11191	13.1
177.12679	2.6
183.11760	2.0
185.13277	2.0
187.11142	2.2
189.11195	6.9
189.12749	2.5
193.12238	26.7
195.13846	1.8
209.11723	4.0
211.13287	34.7
219.13820	2.0
223.13298	16.9
227.12791	16.7
229.14297	1.6
233.15443	1.6
249.14861	6.0
253.14398	7.3
255.15950	4.4
257.18976	1.7
263.20059	1.7
267.15903	30.3
269.17429	10.6
273.18509	20.7
275.20114	13.0
283.15393	43.1
284.15610	1.7
285.14600	1.0
285.16956	40.9
291.19547	100.0
292.19562	1.7
297.18695	1.6
309.20657	2.3
347.22101	5.2
349.23834	8.6
365.23242	64.3
445.25504	2.5
447.28870	1.4
453.24399	1.6
459.27264	4.5
463.27017	13.9
477.28464	54.2
493.28314	2.3
495.29413	3.0
539.05115	1.5
539.33331	4.6
557.34717	73.9
558.35187	4.0
575.35785	96.7
576.35773	4.5
621.33032	2.9
719.38165	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05171	3.3
67.05508	49.8
69.03438	3.1
69.07083	19.1
70.92931	3.8
71.04992	4.8
73.02906	2.5
79.05500	48.2
81.03425	40.8
81.07059	50.6
83.05007	11.6
83.08629	17.9
85.02911	23.8
85.06528	3.3
91.03953	5.6
91.05486	66.1
93.07052	51.4
95.04980	23.6
95.08612	28.2
97.02885	6.2
97.06522	6.5
97.10191	5.2
99.08105	3.5
105.07037	58.3
107.04945	8.7
107.08611	29.0
109.06528	7.9
109.10141	14.3
111.08109	5.3
113.91795	2.6
115.05467	2.9
117.07037	18.0
119.08591	50.5
119.09437	3.5
121.06490	2.4
121.10168	22.4
123.08118	3.2
123.11685	4.1
125.09669	4.2
128.06276	4.3
129.07037	17.6
131.08580	25.0
133.10161	39.3
135.08046	4.9
135.11720	13.7
137.05957	3.0
141.07016	4.3
143.08588	8.1
145.10135	19.6
147.08061	4.5
147.11696	38.0
149.09692	2.8
149.13268	9.1
155.08577	4.2
157.10130	14.4
159.11725	18.0
161.13257	19.8
163.11185	5.7
163.14868	3.0
169.10138	3.4
171.11703	13.1
173.13266	7.7
175.11183	10.0
175.14839	9.9
183.23117	2.2
185.13293	10.1
187.14807	3.5
193.12276	23.7
195.11618	3.2
197.13304	3.0
199.14821	5.8
211.13278	30.1
211.15002	3.4
227.12845	6.2
229.14340	4.4
231.20850	3.3
241.19566	25.8
259.20590	61.4
267.15967	15.3
269.17462	6.2
275.20016	3.7
277.21661	2.6
283.15317	3.8
285.16992	40.4
315.23224	7.3
326.90298	2.6
331.22891	2.9
333.24231	56.5
349.23758	5.0
383.27142	2.4
423.32806	3.2
433.30905	8.3
451.31821	4.7
469.33145	2.9
507.34924	4.6
525.35803	31.6
543.36823	100.0
544.37396	4.8
561.37762	4.0
614.72748	2.9
687.40912	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	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.7
67.05509	57.7
69.03419	7.6
69.07075	18.0
71.04991	6.1
71.57887	3.5
73.02926	5.4
79.05495	65.4
81.03421	57.3
81.07057	67.3
83.04974	14.7
83.08614	28.8
85.02908	28.3
85.06528	6.0
91.03934	7.5
91.05482	92.6
93.07049	65.3
95.04971	26.8
95.08616	33.6
97.02885	8.9
97.06528	7.4
97.10162	7.1
98.21118	2.6
99.04479	2.2
105.04500	2.4
105.07034	81.2
107.04943	7.5
107.08598	37.2
109.06520	8.8
109.10147	18.8
111.08056	11.1
115.05460	4.8
117.07013	25.4
119.08584	70.7
119.09449	3.9
121.06524	2.6
121.10158	26.4
123.08038	6.3
123.11702	4.0
125.09533	2.4
129.07004	23.5
131.08577	42.2
133.06511	3.6
133.10138	56.6
135.08052	2.7
135.09000	2.2
135.11688	13.5
137.09616	2.6
142.07785	5.9
143.08533	14.2
145.10120	22.8
147.08049	4.4
147.11687	52.6
149.09589	8.2
149.13266	11.2
151.11124	2.6
154.60954	2.1
155.08524	3.4
157.10153	24.1
159.11676	19.3
161.09613	3.4
161.13272	31.3
163.11137	4.4
163.14841	3.3
165.12793	3.1
167.08496	2.4
169.10104	5.6
171.11710	16.9
173.13290	13.1
175.11224	14.8
175.14819	10.0
183.11731	3.8
184.07347	3.7
185.13235	11.8
186.17235	2.5
187.14798	4.6
187.78577	2.2
189.12775	3.1
193.12244	29.9
197.13242	2.4
199.14819	8.1
201.16463	2.7
207.11650	2.6
209.13312	3.3
211.13293	39.8
211.15184	3.9
227.12746	4.8
229.14346	2.9
231.21115	5.7
236.56143	2.0
241.19510	27.2
257.18979	5.2
259.20593	78.0
267.15878	18.0
268.77097	3.1
269.17542	3.7
275.20160	3.5
277.21628	4.3
283.15488	4.6
283.20474	2.2
285.13809	1.6
285.16971	44.8
297.22092	2.9
315.23163	7.2
316.11774	2.3
333.24246	52.4
351.25339	2.6
423.32385	3.4
433.30844	10.5
447.19080	2.5
451.32162	8.2
469.32822	5.3
507.34415	3.1
515.37225	5.0
525.35754	37.2
543.36823	100.0
544.37213	3.0
561.37500	4.6
678.77905	2.2
683.53186	2.7
687.40948	4.0
747.25269	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	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	2.1
67.05506	59.1
67.58266	1.2
69.03432	6.2
69.07068	15.1
70.81774	2.2
71.04990	3.2
71.08603	1.2
71.26093	1.0
73.02918	8.8
79.05492	51.2
81.03421	16.7
81.07058	60.6
82.04204	4.0
83.04988	12.4
83.08620	14.9
85.02908	17.1
85.06543	3.1
91.03957	7.8
91.05483	39.9
93.06461	2.5
93.07050	48.1
95.04968	18.3
95.08607	43.2
97.02906	10.3
97.06531	9.0
97.10168	13.4
98.07329	6.3
99.04446	1.2
99.08128	1.9
101.06060	1.4
105.04535	1.3
105.07036	27.6
107.04952	5.2
107.08594	32.6
109.02913	1.3
109.06535	4.4
109.10162	24.8
111.08061	6.5
115.03824	1.1
115.05461	1.2
116.04709	10.0
117.07020	10.4
119.08582	21.8
119.09351	2.1
121.06541	1.7
121.10143	23.6
123.08067	6.0
123.11721	6.4
125.09637	14.8
127.03914	4.3
127.11173	1.5
128.18266	1.1
129.05482	26.6
129.06931	5.8
131.08578	18.2
133.06538	1.8
133.10158	17.2
135.08090	3.1
135.11703	17.3
137.09665	2.7
137.13257	2.5
141.07057	1.2
142.07816	1.3
143.07066	6.2
143.08553	1.7
143.10570	1.2
145.04941	3.4
145.06555	1.5
145.10112	10.3
147.08046	1.7
147.11697	13.5
149.09645	3.3
149.13260	7.7
153.12740	1.9
155.08647	1.8
157.08629	12.3
157.10130	5.1
159.11659	6.3
161.13243	5.6
163.06055	4.8
163.11189	5.1
163.14864	2.0
164.66795	1.3
165.12747	2.2
167.89261	1.1
169.10104	1.3
171.10185	4.6
171.11664	2.7
173.09782	1.2
173.11749	3.7
173.13289	6.2
175.11197	3.7
175.14783	2.6
177.16420	1.3
180.08762	1.1
181.12369	1.1
185.13295	2.7
187.14787	1.9
189.11230	5.0
193.12192	9.9
195.13814	1.3
199.13359	3.5
199.14980	1.7
200.14117	2.0
201.16377	1.2
209.11682	3.9
210.58943	1.0
211.13252	7.8
227.12778	13.4
229.14203	2.4
243.21165	3.6
255.15930	1.8
259.20557	3.1
261.22189	12.1
267.15826	7.6
277.21738	5.3
283.15414	4.2
285.16980	4.4
301.16464	66.2
302.17041	1.2
315.23175	2.0
317.24881	2.5
333.24451	1.5
335.25821	77.8
336.26254	2.3
351.25259	1.9
389.26794	1.6
433.30362	1.7
469.33096	1.4
527.37177	7.2
543.36639	4.5
545.38470	3.6
561.37866	100.0
562.38190	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	920.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.9
67.05502	44.6
68.25282	0.6
69.03418	5.1
69.07063	11.5
70.03845	1.5
70.04232	1.6
71.01344	1.0
71.04978	3.7
71.08629	0.9
73.02917	7.8
79.05489	35.2
79.05955	1.7
80.06263	1.2
81.02969	1.1
81.03413	14.2
81.07054	42.0
82.03784	0.7
82.04186	4.1
83.04985	8.3
83.08614	11.8
85.02422	1.0
85.02905	14.9
85.06524	1.8
87.04432	0.6
91.03960	7.2
91.05475	23.0
93.07040	33.4
94.07814	1.0
95.04964	11.4
95.08602	30.2
96.05756	0.8
97.02884	9.0
97.06530	5.7
97.10164	11.8
98.07304	3.9
98.21024	1.9
99.04442	1.1
99.08088	1.6
101.26193	0.6
103.05479	0.7
104.06335	0.8
105.04527	1.0
105.07027	19.5
106.07789	0.8
107.04958	3.7
107.08594	20.1
109.06496	4.4
109.10159	16.1
111.04443	1.4
111.08102	4.5
111.11749	0.8
113.06007	0.9
115.03953	0.6
115.05446	0.7
116.04710	11.1
117.05515	0.8
117.07029	6.5
119.08581	14.5
121.06474	1.6
121.09302	1.2
121.10141	17.1
121.11016	0.9
122.10970	0.7
123.08059	3.8
123.11665	4.1
125.09634	12.7
126.27380	0.6
127.03907	3.9
127.11230	0.9
129.05479	28.5
129.06921	4.5
130.07808	0.9
131.08580	10.2
133.06512	0.8
133.10129	12.1
135.08072	2.6
135.11691	11.1
137.09586	2.3
137.13266	1.5
139.11142	0.7
142.07750	1.0
143.07022	5.7
143.08008	0.6
143.08575	1.0
143.10709	0.6
145.04944	3.5
145.10103	7.9
147.08070	1.4
147.11667	9.6
149.09610	3.1
149.13275	5.5
151.11191	1.3
153.09096	1.0
153.12709	0.8
155.08517	1.1
155.10620	0.9
157.08586	12.8
157.10120	5.1
159.11673	6.1
161.13298	3.4
163.06030	3.6
163.11198	3.5
163.14789	3.1
165.12741	1.9
169.10101	1.0
170.53029	0.6
171.10152	4.4
171.11705	2.1
173.11795	1.3
173.13252	4.1
175.11179	3.7
175.14819	1.6
177.12746	0.9
177.16489	0.7
177.99776	0.8
179.14268	0.8
181.12250	1.2
183.11714	1.0
185.11746	1.4
185.13213	1.6
187.14822	2.3
189.11211	6.9
189.12752	1.2
193.12231	9.4
199.13300	3.7
199.14914	1.2
200.14111	2.2
201.16357	1.5
209.11719	1.2
210.12498	1.4
211.13246	6.0
227.12793	10.9
229.14246	3.8
241.19489	1.5
243.21127	2.4
255.16040	0.8
259.20602	2.5
261.22162	10.7
265.14478	0.9
267.15802	7.0
269.17520	1.5
271.20343	0.8
275.20261	0.9
277.21619	6.1
283.15375	2.4
285.16876	3.2
299.14777	0.8
301.16452	100.0
302.16742	2.2
315.23172	1.5
317.24811	1.1
333.24350	2.0
335.25781	61.4
336.26163	2.0
351.25226	2.2
389.26785	1.1
487.34216	1.2
527.37366	6.8
543.36841	1.5
544.37329	1.2
545.37982	2.5
561.37842	58.4
562.38086	2.3
579.38776	0.9
819.20959	0.8
874.56836	0.7
921.48248	0.7
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
67.05508	1.7
69.03432	2.9
69.07046	0.6
71.01358	0.4
71.05001	0.9
71.08640	0.8
71.56914	0.4
73.02920	3.2
78.59397	0.3
79.05495	1.0
81.03418	2.7
81.07066	2.0
83.05013	0.4
83.08640	1.1
85.02913	5.0
85.10223	0.6
87.04489	0.4
91.03954	2.7
91.05500	1.1
93.07063	0.9
95.04981	0.9
95.08626	1.1
97.02901	4.4
97.10181	0.3
99.04478	0.7
101.02405	1.1
103.03989	0.4
105.07050	0.9
107.08608	0.5
109.02859	0.7
109.10160	0.7
114.68794	0.3
115.03937	0.4
119.08598	0.7
121.10172	0.8
123.11761	0.4
127.03931	1.1
129.07047	0.4
131.08606	0.6
133.10167	0.6
145.10136	0.3
147.11754	0.9
149.09654	0.8
157.10258	0.8
173.83151	0.3
175.11234	0.5
185.04250	0.7
193.12323	1.0
203.05293	0.4
239.23782	0.4
243.08392	2.0
267.16040	0.6
283.06403	1.6
283.15189	2.7
301.07553	0.4
313.27530	1.0
339.09021	0.4
339.17682	0.7
347.09573	3.0
357.09830	0.4
365.10852	1.1
405.13669	5.7
406.14102	0.3
419.08658	0.4
441.20789	0.4
469.20233	0.6
497.30927	5.9
501.23053	10.0
501.30200	0.6
584.69574	0.4
621.47949	0.4
659.36310	4.0
663.28284	8.0
757.47443	2.7
919.52356	100.0
920.52478	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	918.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	13.4
67.05817	1.4
69.03357	3.0
69.06985	3.8
71.04916	2.1
71.56252	0.7
71.56628	0.9
73.02883	0.6
79.05411	17.2
79.05899	1.1
81.03332	42.6
81.03849	3.2
81.06970	16.0
83.04892	4.7
83.08533	12.4
83.09067	0.8
84.08867	0.7
85.02829	1.8
85.06489	1.2
87.04382	0.8
91.03887	1.0
91.05488	14.9
91.05999	0.9
93.07050	13.0
95.04971	18.7
95.08613	7.6
97.02812	2.8
97.06437	2.5
97.10178	13.3
97.10762	1.0
99.04347	0.7
99.08039	1.1
105.07040	11.2
107.04955	13.1
107.08600	10.3
109.06516	8.3
109.10185	4.6
111.04363	1.1
111.08102	3.3
113.05988	0.8
115.05408	1.3
117.07032	4.5
119.04832	0.8
119.08595	10.1
121.06522	8.6
121.10136	6.9
123.04427	2.9
123.08064	4.2
123.11607	1.2
125.05932	0.7
125.09635	12.9
127.03844	0.9
129.07005	8.2
131.04832	2.2
131.08578	8.8
133.06511	3.3
133.10138	4.2
135.08075	5.5
135.11613	1.4
137.05899	1.2
137.09550	1.5
139.11096	0.9
141.06924	1.6
142.07732	1.2
143.08488	2.0
143.10637	0.8
145.04776	0.8
145.06496	6.0
145.10097	4.1
147.04385	1.5
147.08076	5.0
147.11700	6.1
149.09631	5.6
152.63083	0.6
153.09094	3.0
153.12646	1.3
155.08476	1.8
157.06432	1.1
157.10138	7.0
159.07974	1.9
159.11601	2.5
161.05894	1.8
161.09535	2.0
163.05898	0.8
163.11162	3.0
167.08452	1.2
167.10640	1.3
169.06390	0.6
169.10054	1.8
171.07918	2.6
171.10132	1.4
171.11586	2.1
173.05827	0.7
173.09622	1.4
173.13165	1.3
175.07530	0.7
175.11192	7.2
177.12704	1.3
179.08459	0.9
181.10057	0.6
183.07968	0.9
183.11653	0.7
185.09575	0.8
185.13211	1.0
187.11174	1.5
187.14838	0.7
189.11122	7.8
189.12717	2.6
189.16216	0.6
191.10594	0.7
191.14253	1.3
193.12242	18.2
195.11635	1.6
197.09509	0.6
197.13162	1.7
199.11157	1.2
199.13087	0.7
205.12129	1.6
211.11157	0.9
211.13136	1.2
213.12643	1.0
215.14232	2.3
217.12209	1.5
219.13742	2.4
223.13135	1.5
225.12715	1.0
227.12732	2.4
231.13768	1.3
233.15373	4.2
235.13214	1.6
237.12656	2.2
245.15398	0.9
249.14795	1.3
251.14249	0.7
255.13698	1.9
257.15369	1.1
259.13205	1.5
267.15921	48.8
268.16208	0.9
273.14801	6.7
273.17307	0.8
275.16400	1.6
283.70120	0.6
287.16403	1.3
321.22031	1.0
331.20654	0.9
339.23129	3.5
349.21759	3.6
357.24274	2.4
367.22742	13.7
385.23761	24.8
386.23801	1.0
403.24854	6.7
405.24161	0.7
408.36078	0.6
441.26419	8.4
459.27420	100.0
460.27567	4.5
477.28479	90.0
478.28854	3.3
491.30096	11.7
501.28198	4.2
509.31219	5.4
513.28638	2.0
531.29346	1.0
541.33923	1.0
543.29608	1.6
555.29370	1.0
567.29626	5.3
585.30457	1.2
603.31677	1.5
774.56958	0.8
822.87561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.6
67.05505	40.2
68.05827	0.5
69.03431	2.6
69.06721	0.6
69.07066	9.2
69.80342	0.9
69.80757	1.0
71.01337	1.2
71.05003	1.7
71.08633	18.4
73.02915	2.5
75.04466	0.6
77.42525	0.4
79.05491	10.7
81.03417	3.0
81.07056	21.2
83.04995	2.4
83.08619	14.2
85.02904	17.1
85.03428	0.7
85.06526	1.5
85.10178	10.5
87.04475	4.0
89.06017	1.2
91.03961	5.2
91.05478	4.3
93.07043	4.7
95.04959	1.4
95.08606	18.3
96.04463	0.6
97.02889	5.6
97.06528	1.2
97.10171	16.2
98.21144	1.2
99.04436	0.7
99.08091	0.6
99.11706	0.5
101.02388	0.5
103.03941	1.7
103.07587	1.2
103.18767	0.4
105.07025	1.5
107.04932	1.5
107.08598	6.9
109.02853	0.7
109.10159	35.1
111.04408	1.0
111.08065	1.5
111.11703	0.9
115.03940	0.4
117.06992	1.0
117.87058	0.3
119.08583	3.1
121.06514	0.4
121.10121	1.6
123.08064	0.7
123.11693	3.3
125.09631	13.6
127.03889	2.1
127.11169	0.4
128.05302	0.4
129.05623	0.4
129.06960	0.6
131.08534	0.8
133.10156	1.0
134.10510	0.3
135.11679	1.8
136.29918	0.4
137.09605	1.5
137.13266	0.5
143.10699	3.5
145.04996	2.2
145.10129	1.5
147.08006	0.7
149.09520	0.4
153.12756	1.0
155.10657	2.8
155.65965	0.4
163.06042	2.6
163.11159	2.0
173.09575	0.8
173.11743	9.8
181.12273	0.8
189.11246	0.6
191.10628	1.7
193.12184	0.7
199.13297	10.3
209.11758	4.2
217.14386	1.3
221.22601	0.6
221.99368	0.4
227.12779	5.7
229.14354	52.1
230.14731	1.0
239.23663	3.9
257.13818	1.5
257.24786	1.4
265.14328	0.8
267.15973	2.9
283.15479	3.4
299.14871	1.1
300.15271	0.6
301.16473	25.7
313.27356	100.0
314.27771	2.7
341.26889	2.2
412.65457	0.5
422.61392	0.4
437.36301	5.9
455.37308	13.3
456.37482	0.4
463.21558	1.0
467.37344	32.8
468.37439	1.0
500.80685	0.4
503.37680	0.4
505.38901	1.2
521.38379	2.4
539.39465	17.6
540.39233	0.6
557.40570	2.4
608.55768	0.5
701.44348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.3
67.05503	41.5
69.03419	2.5
69.07063	9.7
69.86389	2.3
69.86806	1.3
71.01340	1.5
71.04988	1.6
71.08631	22.6
73.02899	2.5
79.05059	0.9
79.05492	13.8
81.03426	5.1
81.07057	25.3
83.04986	4.8
83.08615	16.1
83.45171	0.7
85.02898	16.9
85.06537	2.2
85.10181	15.2
87.04467	5.6
89.06031	1.1
91.03954	4.2
91.05488	5.3
93.07038	4.9
95.04944	1.4
95.08609	21.8
96.65660	0.5
97.02893	5.5
97.06530	2.2
97.10166	23.1
98.20827	1.3
98.21426	1.3
99.04466	0.6
99.11749	0.9
103.03941	2.2
103.07577	0.9
105.07006	2.0
107.04938	1.9
107.08594	8.7
107.75285	0.5
108.55515	0.7
109.10159	39.4
110.94918	0.6
111.04419	1.7
111.08073	1.9
111.11722	1.1
117.07027	1.7
119.08598	3.5
121.10142	1.9
123.08079	1.2
123.11710	2.7
125.08245	0.8
125.09634	17.2
125.13232	0.7
127.03899	2.4
131.08575	1.2
135.11682	2.6
137.09618	2.1
137.13257	1.2
138.78038	0.6
143.10670	4.5
145.04976	1.1
145.10100	1.5
147.08052	0.7
153.12727	2.1
155.10684	2.2
163.06003	1.4
163.11156	4.0
173.09575	1.0
173.11754	7.3
181.12216	0.8
191.10588	1.5
199.13297	11.3
209.11685	3.2
217.14215	1.2
227.12787	15.3
229.14362	46.6
239.23732	4.8
257.13898	0.9
257.24774	2.1
267.15903	2.1
273.43958	0.6
283.15369	5.5
301.16470	37.4
313.27353	100.0
314.27701	2.9
319.17535	2.9
331.28491	0.9
341.26984	2.7
397.29776	0.8
437.36362	6.2
455.37338	17.8
463.21838	0.8
467.37338	28.0
468.37582	1.2
497.55621	0.7
503.36993	1.0
521.38257	2.4
539.39380	18.7
540.39764	1.0
557.40601	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	917.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01862	0.5
69.03419	1.3
69.78101	2.1
73.31335	0.4
77.03940	0.5
81.03413	3.6
85.02895	2.6
91.05480	1.0
95.01331	1.6
97.02885	0.8
98.20937	0.9
98.21490	0.6
103.05471	0.7
105.03461	0.8
109.02881	8.2
110.74570	0.4
119.04957	0.6
121.02851	0.5
123.04418	1.1
131.04944	1.3
133.02855	1.8
137.02330	6.7
139.03908	1.1
145.02852	0.9
146.03595	0.6
147.04440	1.3
149.02397	0.7
151.03934	1.1
153.01826	0.7
157.02867	0.8
159.04337	0.9
160.05141	0.6
161.02299	0.6
163.03937	1.7
165.01848	5.1
165.07057	0.6
166.02637	0.9
167.03416	2.0
169.06546	0.7
173.02385	1.7
175.03922	2.5
177.01895	1.3
179.03391	0.9
179.08919	0.5
181.06543	0.7
185.02423	0.9
187.03912	3.0
189.01854	1.0
190.02550	0.7
191.03433	1.8
192.04210	0.5
193.01343	10.5
195.02908	13.2
195.04613	0.9
197.05988	1.7
199.03897	0.7
201.01857	2.4
202.02678	0.7
203.03416	3.8
207.02811	0.7
207.04492	0.8
208.03482	0.5
209.05968	1.2
213.01859	3.1
215.03354	3.1
216.04158	0.9
217.01395	1.8
218.02177	0.5
219.02827	2.4
219.07845	0.9
221.06046	1.8
225.05536	2.9
227.03423	0.6
229.01410	3.8
230.02086	0.5
231.02867	12.7
231.08023	0.8
232.03429	0.6
235.03960	1.7
237.05533	2.9
239.03305	0.7
239.07246	0.5
241.01176	2.9
243.06479	0.5
245.00819	1.1
245.06097	0.8
246.01698	1.0
247.02304	5.5
247.07574	0.6
248.03143	0.5
249.05516	1.8
251.03516	0.7
253.04974	5.6
255.06569	0.7
257.00809	6.6
257.05997	0.7
259.02383	19.3
259.07556	0.7
260.02844	0.8
261.05829	0.9
263.03479	1.5
263.06985	0.9
265.04987	4.7
267.03052	0.9
267.06488	0.7
269.04422	0.6
270.01520	0.5
271.05969	1.3
273.00290	3.0
273.05508	0.8
275.01743	8.3
275.06970	1.2
276.02646	8.6
277.03384	34.1
281.04471	9.0
283.02695	0.5
283.05954	1.0
285.00385	4.8
287.01956	0.9
287.07080	0.8
289.04947	1.6
291.02866	2.4
291.06195	0.8
293.04553	3.4
295.02454	1.1
295.06128	0.5
297.04144	1.5
299.01910	1.2
299.05368	0.7
300.99875	5.3
301.05124	1.1
302.00562	7.4
303.01337	51.8
303.06845	1.7
304.01691	1.7
305.04501	1.6
308.03302	0.6
309.03976	7.5
310.04709	0.6
311.02078	1.1
311.05618	1.3
313.03360	1.3
315.01251	3.1
315.06552	1.4
317.04507	1.8
319.02399	2.2
319.06018	1.2
320.01935	0.6
321.04062	4.7
323.01947	0.9
323.05524	0.9
325.03552	1.6
327.01450	0.6
327.04990	7.2
328.99405	1.4
329.04150	0.9
331.02356	1.2
331.06070	2.5
333.03973	1.3
334.04880	0.8
335.01941	0.6
335.05640	1.7
337.03397	11.7
338.04221	1.4
339.01416	1.3
339.05179	1.4
341.03519	1.7
343.05829	0.9
345.04309	1.1
347.01807	2.9
347.05652	1.8
349.03333	4.3
349.07028	0.6
350.04251	0.9
351.01389	1.4
351.05276	1.1
353.03088	1.8
354.03683	0.7
355.04562	4.9
357.03915	0.8
359.01651	0.8
359.05508	3.2
361.03455	1.7
363.01334	1.3
363.05389	2.5
365.02908	18.2
366.03363	1.3
367.04590	2.4
369.03568	1.0
371.05640	1.4
373.03284	1.3
374.04187	0.6
375.00964	2.2
375.05182	1.9
376.02237	1.3
377.02716	5.0
377.06592	0.9
379.00674	1.3
379.04602	1.8
381.02777	1.4
383.03894	6.8
387.00754	0.9
387.05362	3.3
389.02557	2.3
390.03574	1.0
391.04565	2.8
391.46790	0.5
392.97281	1.1
393.02362	18.0
393.07254	1.0
394.02826	0.9
395.03979	3.4
397.03619	1.4
399.04944	1.2
401.02921	1.0
403.00717	1.7
403.04611	2.1
405.01959	5.8
405.06909	0.9
406.99612	0.6
407.04315	0.9
408.01086	0.7
409.02145	1.8
411.03479	4.8
413.04587	0.6
415.04770	3.7
417.06415	1.1
419.04059	3.3
420.00970	0.7
421.01797	17.1
422.02505	2.4
423.03265	2.2
427.03305	1.6
429.02472	1.6
430.99310	2.6
431.04486	1.9
433.01813	2.5
433.06146	1.7
435.03391	1.8
437.00909	1.1
439.02988	50.4
440.03293	1.6
442.02863	0.7
443.04080	3.8
444.04706	0.8
445.05441	1.3
446.02487	0.8
447.03879	3.3
449.01331	7.2
450.01782	0.8
451.02963	6.7
453.00531	0.8
453.04611	1.6
457.03128	1.8
459.03802	2.6
461.05295	4.5
463.02689	3.5
464.03271	0.5
465.00504	2.1
465.05176	1.6
467.02228	5.9
469.03867	2.1
471.03445	3.4
473.05453	0.8
475.03235	3.3
477.00336	6.7
478.01028	0.6
479.02014	1.4
479.07162	0.7
481.03726	1.1
487.02832	2.8
489.04553	9.0
491.02658	0.7
493.04156	9.8
495.01935	100.0
496.02234	4.7
499.03030	3.0
505.04028	31.6
506.04456	1.5
507.05585	5.0
511.05350	0.6
513.03284	0.7
517.04059	29.8
518.04474	1.1
523.05249	4.4
535.05072	31.9
536.05310	1.0
537.02759	1.4
553.06067	4.8
561.02832	1.1
579.03912	3.5
597.05157	19.1
598.05438	1.4
615.06335	2.3
775.43170	0.5
871.26550	0.5
899.06573	0.8
917.06451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.7
67.05505	44.2
69.03434	3.1
69.07070	9.1
71.01369	0.8
71.04980	2.3
71.08630	18.1
73.02909	2.8
75.04462	0.5
79.05053	0.9
79.05493	12.0
81.03429	4.0
81.07056	23.4
83.04996	2.5
83.08618	16.5
85.02901	17.6
85.06522	1.2
85.09705	0.9
85.10182	12.1
87.04474	4.1
89.06032	0.9
91.03965	4.8
91.04957	0.7
91.05481	7.9
93.07050	7.1
95.04955	2.2
95.08607	21.5
96.04480	0.5
97.02892	5.9
97.06544	1.4
97.10169	17.5
98.20792	2.0
98.21494	1.4
99.04441	0.8
99.08059	0.6
103.03935	1.4
103.07592	0.8
105.06380	0.6
105.07011	2.3
107.04948	1.4
107.08596	8.2
109.02880	1.1
109.06500	1.0
109.10155	37.5
111.04440	1.7
111.08061	1.7
111.11703	0.8
117.07022	1.4
119.08591	3.6
121.06483	0.6
121.10126	2.7
123.08038	1.0
123.11708	3.9
125.08740	0.9
125.09631	14.3
127.03926	2.4
131.08525	1.1
133.10126	1.2
135.11674	2.9
137.09644	1.9
137.13226	0.9
139.11096	0.6
143.10675	2.1
145.04945	2.0
145.10103	2.0
147.11674	0.7
151.11037	0.5
153.12756	1.8
155.10681	2.9
159.06473	0.6
163.06015	2.0
163.11174	2.3
173.09615	1.2
173.11742	11.0
178.13284	0.5
181.12271	1.3
183.65546	0.5
187.02667	0.5
191.10681	1.0
193.12260	0.8
199.13318	9.8
209.11729	5.0
217.14259	0.7
223.13235	0.9
227.12761	6.9
229.14348	53.5
230.14731	0.7
239.23689	4.4
241.14421	0.6
245.13907	0.8
257.13907	1.0
257.24759	2.1
265.14343	1.4
267.15936	1.9
283.15460	6.0
297.16959	1.2
299.14877	0.9
300.15271	0.6
301.16446	27.2
313.27356	100.0
314.27704	2.2
317.15613	0.6
319.17426	1.0
335.25848	1.8
341.26950	1.8
437.36115	5.8
455.37350	14.7
463.21835	1.2
467.37320	36.2
468.37701	1.3
505.38986	1.5
521.38281	4.5
538.37946	0.8
539.39417	18.0
540.39642	0.6
557.40106	2.9
701.44464	1.4
766.15881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.6
67.05505	24.9
69.03437	4.7
69.07069	22.3
71.04990	3.3
71.08636	3.2
71.57718	0.9
73.02906	2.6
79.05498	18.6
79.05955	1.1
81.03419	37.5
81.07055	31.0
83.04980	9.5
83.08617	29.2
85.02903	23.6
85.06549	1.7
85.10181	1.9
88.76593	0.6
91.03954	6.5
91.05484	17.5
93.07050	14.5
94.07360	0.6
95.04971	17.1
95.08608	20.0
97.02890	6.8
97.06521	4.4
97.10172	10.0
99.04450	0.8
99.08096	1.4
105.07030	13.7
107.04947	4.7
107.08586	8.7
107.19320	0.6
109.06525	3.3
109.10158	10.0
111.04430	1.6
111.08075	6.5
111.11703	1.9
113.06008	1.6
116.06200	0.6
117.07011	1.6
119.08581	12.6
121.06553	0.9
121.10143	9.8
123.08043	1.5
123.11674	3.0
125.09614	1.3
127.03907	1.9
127.07516	0.6
129.07008	6.3
129.88547	0.6
131.08571	7.0
133.06485	1.7
133.10117	7.8
135.11699	4.4
137.09586	0.9
139.11226	1.0
142.07799	1.8
145.04991	2.4
145.10109	1.6
147.08080	2.0
147.11688	9.4
149.09604	4.4
149.13271	2.2
157.10130	10.2
163.06056	2.3
163.14844	0.9
165.12758	1.4
171.46721	0.6
175.11197	9.2
193.12248	27.4
204.38333	0.7
211.13298	42.8
247.24173	1.0
265.25293	1.7
267.15915	14.3
270.22781	0.6
272.23026	0.6
285.16965	57.5
286.17270	1.2
293.17581	1.3
313.27423	0.7
339.28937	58.5
340.29276	1.7
457.36340	0.7
531.40454	15.5
542.96246	0.7
549.41504	100.0
550.41760	4.5
738.35156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62634	0.5
67.05507	10.8
69.03397	1.6
69.07070	6.7
70.02213	2.5
71.04974	1.0
71.08635	19.0
73.02887	1.4
79.05499	6.9
81.03422	57.0
81.07062	15.1
83.04987	2.8
83.08620	19.9
85.02908	4.1
85.06499	0.7
85.09716	0.6
85.10186	11.7
89.06067	1.1
91.03959	4.1
91.04980	0.6
91.05487	10.7
91.81313	0.5
93.07045	5.2
95.04971	15.4
95.08614	15.1
97.02885	3.1
97.06470	0.7
97.10169	4.7
98.21111	1.4
99.04431	0.7
103.07529	0.9
105.07037	6.5
107.04958	4.2
107.08607	3.4
109.02869	0.5
109.06496	1.7
109.10168	7.6
111.04396	1.6
111.08086	5.6
111.11692	0.5
113.13225	0.6
115.05431	0.9
119.08595	7.2
120.08845	0.5
121.06483	1.8
121.10142	4.6
123.04390	1.8
123.08096	0.6
123.11703	3.4
125.09584	0.6
127.03883	2.0
128.06206	0.5
129.07007	6.6
131.08578	4.9
133.06461	2.3
133.10152	3.3
135.08063	0.7
137.06015	0.7
137.09708	0.5
137.13249	1.1
142.07771	1.1
145.04930	1.7
145.10114	1.2
147.04375	0.9
147.08043	2.6
147.11685	4.6
149.09631	3.1
157.10112	7.4
163.06006	2.7
163.11169	1.5
165.12700	1.5
175.11179	7.6
189.12689	0.6
193.12244	23.0
194.12442	0.5
211.13243	1.3
228.75284	0.5
235.13304	1.7
239.23668	1.6
249.14877	1.8
257.24789	1.8
259.13272	1.2
267.15924	98.2
268.16284	1.7
301.14374	2.6
309.16953	2.8
313.27374	100.0
314.27686	1.5
319.15189	0.6
333.16931	0.6
343.99628	0.6
415.33435	0.5
429.50809	0.5
455.96317	0.6
505.38904	85.2
506.39197	3.9
523.40051	1.9
547.40051	7.0
555.49933	0.5
565.41010	0.9
601.41144	2.8
613.41119	2.1
631.41980	2.0
649.42883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.7
67.05505	33.6
69.03435	3.2
69.07066	9.2
71.04994	4.1
73.02882	2.2
79.05493	29.4
81.03419	37.1
81.07057	40.6
83.04982	9.1
83.08152	1.0
83.08617	16.1
85.02905	21.1
85.06506	1.8
87.04446	0.9
91.03490	0.5
91.03963	6.3
91.05480	26.6
93.07047	32.0
95.04360	1.0
95.04964	17.1
95.08610	25.4
97.02896	7.7
97.06534	4.5
97.10180	3.3
98.20972	2.4
99.04420	0.8
99.08062	1.4
105.07030	18.9
107.04967	3.6
107.08601	14.3
109.06523	4.2
109.09443	0.7
109.10155	10.5
111.04410	1.8
111.08081	6.7
113.06017	1.5
114.34428	0.5
115.03918	0.5
115.05425	1.1
117.07027	3.3
119.04881	0.6
119.08581	18.0
121.06519	1.0
121.09306	0.8
121.10139	14.5
123.08047	2.7
123.11726	3.3
125.09629	2.0
127.03878	2.0
127.07547	0.7
129.07018	6.9
131.08565	13.0
133.06468	2.1
133.10138	12.3
135.11723	6.2
137.09581	2.3
137.13229	1.0
139.11246	0.8
142.07761	1.6
143.08603	0.6
145.04996	3.1
145.10121	4.9
147.08022	1.9
147.11694	13.2
149.09621	4.8
149.13272	3.5
151.11040	0.8
157.10129	9.6
159.11687	3.0
161.13242	2.2
163.06009	2.8
163.11113	1.4
163.14763	1.7
165.12708	2.8
171.11697	0.7
173.13225	2.1
175.11191	9.7
175.14742	1.2
184.07271	0.8
187.14856	1.4
189.11191	1.0
193.12248	34.5
199.14738	0.6
201.16470	0.8
211.13295	60.0
212.13583	0.8
223.14882	0.7
227.12749	1.1
229.09462	0.6
229.14381	1.2
238.37305	0.6
243.21065	2.4
249.14900	1.1
261.22174	8.6
267.15918	12.8
275.19757	0.7
283.15573	0.7
285.16965	69.7
286.17343	1.0
291.23224	0.8
301.25275	0.8
317.24768	2.8
333.24088	1.0
335.25800	62.7
336.26096	1.5
435.32819	2.7
453.33490	1.7
465.32700	0.6
471.34357	1.2
509.36243	1.1
527.37317	13.2
545.38354	100.0
546.38770	3.4
563.39642	0.9
879.81421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	0.9
67.05505	16.1
69.03430	3.1
69.07069	8.3
69.32741	0.8
69.33145	2.3
71.01330	0.3
71.04990	2.8
71.08631	15.1
73.02915	2.6
73.78387	0.3
75.82514	0.4
77.03880	0.3
79.05495	11.7
81.03418	33.6
81.07057	22.4
81.07748	0.6
83.04981	8.3
83.08621	15.9
85.02904	22.0
85.06506	1.2
85.10182	9.0
87.04441	0.6
89.06012	0.6
91.03961	5.4
91.05480	17.6
93.07044	9.8
95.04971	14.7
95.08607	14.6
96.04452	0.4
97.02890	7.0
97.06520	1.6
97.09625	0.4
97.10170	6.0
98.20992	1.6
99.04420	1.0
99.08098	0.8
101.06014	0.3
102.30646	0.4
103.03899	0.4
103.05460	0.4
103.07573	0.7
105.07034	10.8
107.04967	3.3
107.08597	3.7
109.06506	2.9
109.09470	0.4
109.10157	6.2
111.04399	1.2
111.08076	4.9
111.11678	1.5
113.05962	1.5
115.03902	0.6
115.05431	0.7
117.06972	0.9
119.08575	9.7
121.10151	5.0
123.08034	1.4
123.11717	3.3
125.09591	0.7
125.13198	0.5
127.03874	1.5
128.06200	0.4
129.07010	6.3
131.08559	6.3
133.06465	1.6
133.10121	5.8
135.11664	0.6
137.09555	0.8
137.13225	1.3
142.07739	1.3
145.04994	2.6
145.10074	0.9
147.08049	1.6
147.11691	9.8
149.09612	3.4
151.14815	0.3
157.08945	0.5
157.10132	9.0
163.06018	2.2
163.11172	0.5
165.12727	1.5
175.09752	0.5
175.11189	8.3
193.12245	25.2
194.12437	0.4
211.13298	41.3
212.13683	0.7
249.14867	0.6
256.60248	0.3
267.15912	16.2
267.26773	0.7
285.16962	60.5
285.27734	1.0
286.17343	1.2
319.35675	0.3
341.30496	59.0
342.30939	1.8
533.42023	15.2
551.43073	100.0
552.43463	4.5
618.79065	0.4
834.61536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	7.4
69.03427	1.4
69.07070	4.0
71.01358	0.6
71.04980	1.7
71.08633	11.1
71.49204	0.7
72.35117	0.4
73.02901	2.0
79.05498	8.9
81.03417	4.5
81.07063	11.8
83.01336	3.8
83.04984	5.7
83.08619	8.7
85.02908	11.0
85.06523	0.7
85.09709	0.7
85.10185	7.6
86.17996	0.5
89.06043	0.8
91.03959	5.9
91.04955	0.6
91.05481	5.8
93.07045	11.4
95.04974	3.3
95.08039	0.8
95.08608	10.0
96.04498	0.5
97.02904	5.8
97.06546	2.0
97.10169	4.3
99.04465	1.8
105.07032	3.7
107.04951	3.7
107.08595	6.2
109.02881	0.7
109.06538	4.0
109.10165	5.5
111.04440	0.8
111.08059	1.0
111.11726	1.7
117.07037	3.5
119.08607	4.5
121.06512	1.7
121.10145	4.3
123.08077	4.0
123.11709	1.3
125.06001	1.1
125.09601	1.0
127.03921	2.3
129.07011	0.7
130.07771	0.5
131.08554	1.3
133.10106	1.2
135.08037	1.0
135.11728	5.9
137.09590	0.7
137.13248	0.9
145.04970	3.5
145.06088	0.4
145.06482	0.4
145.10135	8.8
147.08098	1.0
149.58620	0.5
153.12761	1.6
155.08601	0.5
161.42816	0.4
163.06004	3.3
163.11191	12.5
173.09587	1.6
181.12224	2.1
191.10710	1.3
209.11726	3.3
218.42879	0.5
227.12778	1.9
267.26797	0.7
283.15408	100.0
284.15720	1.7
285.27933	1.0
336.08121	0.4
341.30508	74.6
342.30920	1.0
346.77490	0.4
395.28635	0.4
549.41504	54.7
550.41870	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	906.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.8
67.05506	39.8
68.05828	0.7
69.03427	4.2
69.06722	1.2
69.07072	17.1
69.34188	6.2
70.07410	0.9
71.04995	4.1
73.02925	3.3
73.25624	0.6
79.05499	22.5
81.03421	36.3
81.07058	47.0
82.07388	0.8
83.04983	10.1
83.08621	22.6
85.02907	24.1
85.06534	1.5
91.03968	6.4
91.05483	23.0
93.07050	17.5
94.07384	0.7
95.04975	15.7
95.08610	31.3
97.02895	7.4
97.06536	5.3
97.10165	6.5
99.04488	1.0
99.08083	1.6
105.04533	0.7
105.07033	18.0
107.04962	3.2
107.08595	10.6
109.06521	2.9
109.10150	12.4
110.10542	0.9
111.04446	1.5
111.08096	7.0
113.06028	1.4
115.05441	1.2
117.07040	1.8
119.08582	16.0
120.08969	0.7
121.06481	1.1
121.10150	10.8
123.08054	1.8
123.11750	5.0
125.09630	1.9
127.03924	2.7
129.07001	6.8
131.08585	8.6
132.08913	0.8
133.06509	1.4
133.10139	11.1
135.11731	4.3
137.09625	1.8
137.13290	1.3
142.07774	1.3
145.04947	2.2
145.10149	2.9
147.08018	1.7
147.11696	10.7
149.09686	4.0
149.13303	2.0
151.11227	1.0
157.10139	9.9
159.11685	1.1
161.13249	1.8
163.06029	2.1
163.11206	0.9
163.14848	0.8
165.12788	1.9
173.11810	0.9
173.13202	0.7
173.81711	0.6
175.11198	10.9
175.14804	1.1
191.10641	1.0
193.12245	27.3
199.13521	0.8
211.13300	42.9
229.14352	1.8
231.94099	0.6
245.22723	0.8
255.15778	0.8
258.49295	0.8
263.23727	2.6
267.15891	11.5
275.20084	1.0
285.16971	56.7
286.17206	1.8
295.26886	0.7
337.27368	53.0
338.27771	1.3
349.23825	1.1
400.24426	0.8
405.13751	0.8
421.36948	0.8
443.18671	1.0
452.18927	0.7
455.35278	1.5
489.36194	1.3
529.38855	12.9
547.39941	100.0
548.40363	4.8
565.41382	1.0
906.34363	1.3
906.51086	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	902.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.5
67.05504	43.5
68.05795	0.9
69.03433	3.4
69.07072	11.1
69.33627	1.7
69.34025	6.0
71.01342	1.6
71.04981	3.1
71.08638	3.8
73.02910	5.3
77.03910	1.2
79.05494	36.8
81.03419	22.6
81.07056	46.8
82.03750	1.9
83.01333	6.9
83.04982	10.1
83.08623	15.8
84.08963	0.9
85.02418	1.4
85.02905	21.0
85.06533	1.6
85.10162	2.1
89.34534	0.7
91.03960	11.1
91.05484	25.2
92.05792	1.2
93.07045	44.2
95.04981	11.1
95.08604	32.1
96.08932	0.8
97.02892	12.7
97.06546	4.2
97.10178	6.6
98.21288	3.1
99.04464	3.8
99.08086	1.2
103.03957	0.7
103.05454	0.8
105.07030	16.8
107.04967	5.7
107.08598	23.0
109.02831	1.4
109.06521	7.1
109.10151	16.8
111.04425	2.8
111.08087	3.5
111.11729	1.0
115.03959	0.9
115.05447	0.8
117.07020	10.8
119.08588	16.7
121.06506	3.0
121.10143	19.3
123.08073	7.9
123.11708	3.8
124.98955	0.8
125.05976	1.0
125.09643	4.2
127.03944	3.6
129.06958	3.5
131.04951	0.8
131.08577	12.6
133.10165	7.7
135.08075	1.7
135.11696	15.8
136.06181	1.3
137.09605	2.1
137.13225	0.9
137.48563	0.7
139.07550	1.3
139.11177	1.0
143.08591	2.1
145.04964	5.1
145.10132	18.3
147.08037	2.3
147.11697	5.8
149.09630	2.1
149.13258	4.0
153.12758	3.0
153.34247	0.8
155.08586	2.2
157.10117	2.3
159.11736	5.9
161.13295	4.2
163.06003	7.0
163.11179	18.5
163.14836	2.8
163.70955	0.8
171.11678	1.4
173.09605	1.9
173.11830	1.2
173.13156	4.4
175.11185	1.9
175.14842	2.0
177.16321	1.2
181.12242	3.3
183.11641	0.8
185.13225	1.0
187.14847	2.1
189.11221	2.4
191.10666	1.3
193.12328	5.0
194.12582	1.4
199.14868	1.2
201.16473	1.0
203.14096	0.9
209.11729	6.4
211.13196	1.5
217.19781	0.7
227.12790	13.1
229.14249	0.9
241.19519	1.0
243.21053	4.3
245.14105	0.9
259.20627	2.2
261.22174	12.5
267.15891	14.3
268.16266	8.9
269.16507	1.6
283.15402	100.0
284.15759	2.3
285.16898	1.6
299.23553	5.1
313.27380	8.8
314.27719	9.3
315.28091	3.8
317.24738	5.0
333.24182	2.6
335.25806	69.2
336.26181	1.3
433.30994	2.1
451.32162	4.0
469.33127	2.8
487.34103	1.3
505.39023	4.5
506.39270	6.0
507.39679	7.9
515.37286	1.2
525.35577	8.0
543.36792	63.0
544.37085	2.2
561.37604	5.2
630.62415	0.8
658.82324	0.8
746.98529	0.9
775.21136	0.8
902.46124	0.9
903.48718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.2
67.05506	37.0
69.03432	4.0
69.07068	10.1
71.05000	3.4
73.02878	1.8
77.03910	0.7
79.05492	31.0
81.03418	35.4
81.07056	38.9
82.07360	0.4
82.26382	0.4
83.04980	8.2
83.08618	13.6
85.02905	19.1
85.06483	1.4
86.64057	0.4
87.04440	0.6
91.03959	5.3
91.05481	25.8
93.07047	29.3
95.04967	15.5
95.08609	25.4
97.02886	6.8
97.06521	4.1
97.10171	3.8
98.20728	1.4
98.21443	1.7
99.04411	0.6
99.08064	0.8
103.05433	0.5
105.04487	0.8
105.07031	17.5
107.04958	4.4
107.08593	17.6
109.06523	2.6
109.09476	0.6
109.10155	10.3
110.88577	0.4
111.04437	1.1
111.08086	6.0
113.05959	1.3
115.05437	0.7
117.07016	3.4
119.08582	15.3
121.06436	1.3
121.10143	13.9
123.08109	2.3
123.11706	3.0
125.09602	1.7
127.03849	1.6
127.07536	0.5
128.06155	0.8
129.07021	5.8
131.08572	11.7
133.06429	1.6
133.10133	10.6
135.07997	0.9
135.11690	7.6
136.45325	0.5
137.09583	1.6
137.13176	0.9
139.11200	0.5
142.07744	1.2
143.08519	0.9
145.04942	2.2
145.10133	4.8
147.07982	1.4
147.11684	10.3
149.09636	4.0
149.13307	3.3
151.11212	0.6
157.08905	0.8
157.10127	8.6
159.11690	2.4
159.58681	0.4
161.13257	2.7
163.05966	1.7
163.11197	1.2
163.14775	1.3
165.12708	1.5
169.10182	0.5
171.11646	0.5
173.13242	3.0
175.11186	8.1
175.14781	1.3
177.16319	0.6
181.12248	0.4
185.13184	0.5
187.14795	1.5
189.11201	0.6
193.12253	21.4
194.12550	0.7
201.16339	0.6
211.13286	32.7
227.12770	0.8
229.14378	0.7
231.81964	0.5
243.20982	2.2
249.14850	0.5
261.22168	8.2
267.15906	10.2
269.17615	0.5
279.23013	0.5
285.16953	40.2
291.19562	0.7
301.25204	0.8
317.24695	2.5
335.25793	62.8
336.26187	1.5
435.32565	1.4
453.33432	1.6
471.34579	1.2
489.36176	0.5
527.37286	12.4
545.38367	100.0
546.38824	3.3
689.42224	0.6
763.02551	0.5
770.88342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.9
67.05506	49.5
68.05835	0.8
69.03426	5.6
69.07066	13.9
69.07415	1.5
70.88223	1.8
71.01374	1.6
71.04999	4.4
71.08631	5.5
73.02915	5.1
77.03941	1.7
79.05494	44.4
81.03423	22.9
81.07058	56.2
82.03773	2.3
82.07394	1.9
83.01338	6.6
83.04984	10.3
83.08625	16.2
85.02902	23.3
85.06554	2.4
85.10183	2.6
91.03962	13.5
91.05479	29.7
92.05803	0.8
93.07047	56.8
95.04971	11.1
95.08608	38.3
96.08923	1.9
97.02896	11.8
97.06530	5.8
97.10169	7.3
98.21212	1.0
99.04448	2.7
103.05489	1.0
105.04479	1.1
105.07027	21.3
106.07368	0.9
107.04955	7.3
107.08598	29.0
109.02894	1.2
109.06512	6.6
109.10163	19.1
109.10908	1.2
111.04472	1.9
111.08076	3.6
112.99149	0.9
115.03929	0.9
115.05467	1.6
117.07005	11.6
119.08575	19.5
120.08948	0.8
121.06519	4.0
121.10139	22.6
121.47692	0.8
123.04456	1.0
123.08079	8.6
123.11721	4.7
125.06050	1.3
125.09648	5.6
127.03942	4.8
129.07018	3.3
131.08575	11.9
133.06522	1.2
133.10139	12.2
135.08054	2.5
135.11697	21.4
136.06192	1.1
137.09593	1.1
137.13257	1.9
139.11221	1.1
143.08553	1.8
145.04976	6.2
145.06439	0.9
145.10118	17.7
147.08031	2.4
147.11699	7.3
149.09613	1.6
149.13271	6.6
153.12761	3.6
155.08583	1.6
157.10196	2.9
159.11714	6.7
161.13257	5.6
163.06018	6.8
163.11177	21.0
163.12524	1.3
163.14799	4.4
165.12860	1.1
171.11642	2.0
173.09596	2.9
173.13222	5.6
175.11209	1.6
175.14781	2.3
177.16347	1.3
181.10214	1.0
181.12231	3.2
183.11703	1.0
187.14810	2.4
189.11276	3.2
191.10670	3.1
193.12244	5.8
194.12613	1.7
199.14861	1.5
201.16487	1.7
209.11682	6.4
211.13354	1.7
222.33673	0.9
227.12788	11.9
233.22603	1.0
241.19713	1.3
243.21130	6.9
245.13898	1.2
259.20560	2.2
261.22171	22.2
267.15909	17.3
268.16217	9.4
269.16559	3.4
277.21640	1.4
283.15399	100.0
284.15820	2.0
285.16956	1.5
299.23633	5.1
301.21704	1.1
313.27402	10.7
314.27734	9.4
315.23544	1.0
315.27933	5.3
317.24835	5.7
333.24384	2.3
335.25806	92.1
336.26151	2.4
433.30942	1.4
451.32175	5.1
469.32962	3.1
487.34058	1.7
488.74451	1.0
499.39636	0.8
505.38916	6.5
506.39246	7.6
507.39706	9.3
515.37354	1.5
525.35681	7.6
543.36810	95.7
544.37213	3.7
548.39594	0.9
561.37714	6.2
807.20892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49416	1.0
67.05167	1.6
67.05507	27.1
69.03428	2.2
69.07069	7.3
69.54035	6.9
71.05003	13.3
71.08631	17.0
73.02917	1.8
79.05501	7.2
81.07059	51.4
83.04992	1.8
83.08628	8.3
85.02910	8.4
85.06533	5.6
85.10180	8.1
85.24272	1.1
85.39169	0.9
91.03952	4.4
91.05480	11.8
93.07037	4.1
95.08607	17.5
97.02896	2.9
97.06519	1.8
97.10168	3.4
98.21169	3.6
98.25034	1.0
99.04473	1.1
105.07052	4.9
107.08580	4.3
107.68417	1.0
109.10163	9.3
113.83389	1.1
121.10127	2.0
123.11717	10.0
127.03897	1.8
129.01344	1.1
131.08574	1.7
133.10144	10.4
135.11691	2.0
145.05013	1.1
149.13301	1.9
151.11169	5.3
159.11693	1.3
163.06004	2.5
169.12198	1.1
174.51256	1.2
177.12662	1.4
183.13844	2.5
187.13295	4.2
239.23645	2.2
269.17444	3.4
301.16788	1.8
301.20020	9.9
313.27390	15.8
347.68781	1.3
481.38916	64.0
482.39197	3.3
495.40311	2.9
507.40408	7.2
539.43091	100.0
540.43201	4.1
593.11316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	0.8
67.05503	14.2
67.42487	0.2
67.87914	0.2
69.03429	3.6
69.07067	6.8
69.63700	2.0
70.41719	0.3
71.01352	0.5
71.04997	1.3
71.08632	13.0
72.91837	0.3
73.02916	5.4
73.06559	0.3
79.05495	9.9
80.06231	0.5
81.03416	7.7
81.07057	13.8
82.03780	0.3
82.04201	2.6
83.04556	0.4
83.04982	5.3
83.08152	0.5
83.08617	9.6
84.02120	0.6
84.05740	0.6
85.02903	9.7
85.06509	1.0
85.10184	9.1
87.04446	0.6
89.06001	0.8
91.03958	5.6
91.05479	7.1
93.06477	0.4
93.07041	6.9
94.04176	0.5
94.07822	0.4
95.04974	6.5
95.08605	13.1
96.05723	0.5
97.02891	6.0
97.06525	3.2
97.10169	9.1
98.07303	3.7
98.20693	0.3
98.21246	0.6
99.04424	0.9
99.08080	0.8
99.11727	0.7
100.05241	0.3
101.05995	0.9
103.03908	0.3
103.07562	0.8
105.07013	3.2
106.07818	0.3
107.04955	2.5
107.07958	0.4
107.08599	4.8
109.02858	0.7
109.06503	1.6
109.09465	0.5
109.10155	7.8
110.07276	0.6
110.95655	0.3
111.04408	1.2
111.08071	2.2
111.11696	0.8
113.05958	0.4
115.03860	0.6
115.05376	0.4
116.04711	8.9
117.05494	0.3
117.06990	1.1
119.08580	3.3
120.09341	0.3
121.06483	0.8
121.10125	2.1
123.04430	0.3
123.08057	2.4
123.11693	2.4
125.05908	0.3
125.08755	0.5
125.09630	8.5
127.03923	2.1
127.11174	0.6
129.05479	22.6
129.06873	1.6
130.07736	0.4
131.08568	2.2
133.09366	0.3
133.10129	2.7
135.08075	1.4
135.11679	2.5
136.08835	0.5
137.09578	1.2
137.13206	0.9
139.07487	0.4
142.07753	0.4
143.06039	0.4
143.07037	5.3
143.10588	0.5
145.05011	2.5
145.10130	2.0
147.08037	0.6
147.11705	1.8
149.09586	1.2
151.11223	0.4
153.09105	0.6
153.12743	1.7
155.07039	0.3
155.93068	0.3
157.08620	9.7
157.10043	1.4
158.05751	0.6
163.06029	3.0
163.11211	2.5
164.11902	0.8
165.12714	0.8
171.06543	1.4
171.10146	3.5
173.09578	0.7
173.11713	0.9
175.11134	1.2
181.12196	1.0
185.08051	0.7
185.11732	1.0
189.11227	5.7
191.10670	1.3
192.11433	0.7
193.12271	1.8
194.34627	0.3
199.09457	0.3
199.13286	2.8
200.14069	1.7
209.11684	2.3
210.12498	0.9
211.13280	1.3
213.11195	0.6
213.14738	0.3
214.87390	0.3
221.22626	0.3
227.12788	10.3
228.13326	0.5
229.14331	1.2
239.23619	2.3
255.15906	1.6
257.24783	1.3
265.14331	1.0
267.15891	4.5
283.15399	5.1
284.16156	1.0
301.16452	100.0
302.16876	1.5
311.22113	0.8
313.27362	68.7
314.27692	2.1
331.28195	0.5
367.28418	2.9
381.30130	0.4
395.31396	1.7
399.13104	0.3
409.33093	0.5
437.36127	0.6
438.37173	1.4
455.37393	0.9
467.37173	1.9
493.38727	0.3
494.39722	0.4
505.38831	4.8
506.39072	0.5
521.38367	3.1
522.39026	1.8
539.39417	67.0
540.39648	3.3
831.24280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.0
67.05509	42.9
69.03433	6.9
69.07069	9.2
70.10149	3.0
70.10558	1.8
71.01337	3.0
71.04980	4.7
73.02938	5.7
73.98311	1.1
79.05493	42.2
81.03421	95.4
81.07062	29.0
82.04183	3.8
83.04986	20.5
83.08621	26.3
85.02914	11.0
85.06539	2.5
91.03927	4.4
91.05486	35.8
93.07046	27.7
95.04974	38.9
95.08598	14.4
97.02896	11.2
97.06541	8.0
97.10174	16.4
98.07330	5.6
98.20818	1.3
98.21342	2.0
99.04457	3.1
99.08070	2.1
105.07034	23.9
107.04961	15.5
107.08598	21.2
108.05809	1.0
109.02886	1.8
109.06511	6.2
109.10156	19.7
110.10519	1.1
111.04453	14.0
111.08098	15.4
112.10578	1.0
113.05985	1.1
115.05360	1.4
116.04710	11.9
117.05489	2.2
117.07014	9.0
119.04939	1.9
119.07768	2.0
119.08588	24.2
121.02860	4.9
121.06525	9.1
121.10147	13.6
123.04417	3.0
123.08080	6.0
125.05989	2.1
125.09643	16.5
127.03917	2.0
129.05492	25.4
129.06993	14.6
131.04924	4.0
131.08580	15.9
133.06502	6.2
133.10136	12.2
134.92336	1.0
135.04398	4.0
135.08072	6.3
135.11702	12.5
136.08842	1.2
137.05939	2.1
137.09598	4.7
139.07611	1.6
141.06975	2.3
141.31544	1.0
142.07768	3.4
143.07042	9.3
143.08537	2.4
143.78810	1.0
145.04935	2.2
145.06529	3.3
145.10114	9.6
147.04361	2.7
147.08084	7.2
147.11714	12.0
149.05983	1.5
149.09619	9.6
151.03917	1.2
151.11172	1.2
153.01825	1.8
153.09119	3.0
153.12759	25.3
155.08556	2.0
157.08598	14.4
157.10112	16.2
159.07947	1.5
159.11661	2.5
161.05989	1.8
161.09572	2.7
163.05997	2.2
163.11177	18.0
165.12724	3.1
167.07060	1.8
171.06578	1.3
171.10280	6.1
171.11569	1.6
173.09605	5.2
173.11787	7.5
173.13159	2.2
175.11183	14.6
177.99771	1.0
181.12257	17.4
183.11714	4.6
187.11275	1.4
189.11238	16.8
189.12820	1.3
191.10669	11.1
192.11301	1.5
193.12254	38.4
194.12590	1.3
199.13312	4.0
200.14041	2.7
201.12764	4.1
201.14850	3.8
203.14377	1.7
205.12186	1.7
209.11720	10.5
211.13229	10.7
219.13893	6.3
223.13292	1.7
227.12787	52.6
229.12224	2.4
229.14310	20.4
231.13820	2.7
235.13290	1.9
237.14812	1.3
247.13319	37.8
249.14978	6.8
255.15953	2.3
259.13226	2.4
265.14334	4.2
267.15927	100.0
268.16257	3.2
273.14941	1.6
277.14401	1.9
283.15421	27.6
285.16940	3.7
301.16510	43.2
318.46686	1.2
321.16965	11.6
339.18051	4.3
351.17456	1.3
355.22714	2.2
365.21014	1.8
373.23657	2.1
383.22012	4.8
401.23224	3.6
409.25674	1.8
419.23825	1.6
421.25949	1.8
439.26215	1.3
447.27130	1.2
457.25705	2.4
458.26758	2.8
459.27493	3.8
475.26898	29.1
476.27518	3.7
477.28091	1.2
493.27972	45.8
493.35184	2.7
494.28070	1.2
525.30396	4.3
535.28784	1.7
543.31714	1.6
601.29950	1.7
619.30103	1.7
663.12634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.8
67.05510	27.5
69.03433	4.7
69.07076	13.2
69.44104	7.0
71.01332	3.5
71.04982	2.1
71.08635	23.3
73.02921	4.1
79.05062	1.4
79.05499	26.2
81.03419	28.1
81.07062	30.4
83.04989	15.3
83.08622	15.3
85.02911	13.8
85.06546	1.9
85.10189	13.4
87.24632	1.2
87.84888	0.9
89.06023	1.1
91.03949	6.1
91.05488	11.1
93.07056	19.0
95.04968	8.2
95.08613	26.6
97.02895	16.6
97.06540	5.8
97.10180	13.2
99.04445	2.1
100.05064	0.9
103.07572	1.0
105.07057	5.7
107.04956	21.4
107.08600	11.6
109.06483	1.4
109.10159	14.0
111.04456	9.5
111.08089	3.2
111.11709	1.3
117.07009	4.5
119.08576	7.3
121.06511	2.0
121.10149	8.4
123.08063	2.1
123.11721	4.2
125.06025	1.2
125.09639	6.2
127.03915	2.0
129.05481	1.1
129.06996	2.5
130.07811	1.1
131.08580	4.7
133.10121	1.7
135.08044	2.5
135.11696	13.3
137.13211	1.2
143.08534	1.0
145.04932	3.4
145.06538	1.6
145.10130	12.2
147.08046	4.0
147.11717	1.7
149.09612	2.7
153.12769	17.7
155.08556	2.2
157.10225	1.2
163.05992	2.5
163.11197	29.4
173.09650	5.3
173.11720	1.6
181.12251	15.7
184.07321	1.2
191.10680	18.5
199.13297	9.4
209.11711	14.8
217.07068	1.3
227.12798	25.9
229.14421	1.9
239.23665	4.6
257.24780	2.9
265.14362	14.0
267.15970	2.5
283.15408	51.0
301.16504	5.2
313.27374	100.0
314.27612	3.5
428.97836	0.9
437.36316	5.4
455.37247	3.7
467.37274	12.6
468.37689	1.0
503.37375	7.2
507.39459	1.0
521.38251	14.6
539.39227	10.2
870.00696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.4
67.05505	23.1
69.03434	4.2
69.06732	0.7
69.07067	11.6
69.59518	2.4
69.59926	1.5
70.04182	0.7
71.01346	1.1
71.04956	2.7
71.08630	22.3
73.02915	5.6
75.04475	0.8
79.05495	15.3
81.03419	8.8
81.07057	22.5
82.04166	1.9
83.04990	9.2
83.08616	11.4
85.02436	1.1
85.02905	13.2
85.06522	1.0
85.09719	0.9
85.10180	14.2
87.04453	0.8
89.06007	1.0
91.03493	0.6
91.03952	7.0
91.04973	1.1
91.05476	13.5
93.07037	12.1
95.04443	0.8
95.04970	9.0
95.08607	20.3
95.78474	0.6
97.02896	10.5
97.06531	5.5
97.10177	10.1
98.07275	2.7
98.20766	1.1
98.21415	1.5
99.04417	1.8
99.11702	0.9
101.05991	0.7
103.07503	0.8
105.07043	5.1
107.04951	5.9
107.08590	7.9
109.02814	1.1
109.06467	1.6
109.10149	13.6
111.04427	5.6
111.08074	3.1
111.11707	1.3
113.05975	1.3
115.03930	1.2
116.04703	4.8
117.07012	3.8
119.08600	4.1
121.06492	1.5
121.10131	5.1
122.28271	0.7
123.08052	3.1
123.11730	3.7
125.09628	7.4
127.03889	3.3
129.05469	15.0
129.06975	2.1
130.07761	0.9
131.08514	2.9
133.10135	3.5
135.08022	2.3
135.11670	5.7
137.09608	1.8
137.13231	1.7
143.06992	2.5
143.10655	0.9
145.04968	3.4
145.10130	5.3
147.11638	2.2
149.09610	1.9
151.14763	0.8
153.09105	1.0
153.12726	1.1
155.08530	1.1
157.08626	7.0
157.10007	1.4
158.05743	0.8
163.06036	3.2
163.11206	5.9
171.06525	2.3
171.10121	1.7
173.09615	2.4
173.11734	0.8
175.11261	1.5
181.12184	1.9
185.08138	0.7
185.11740	0.9
189.11197	3.1
191.10654	4.5
193.12201	1.8
199.13306	1.8
200.14064	0.9
209.11732	8.4
210.12462	0.9
211.13202	0.8
213.11244	1.1
221.22615	0.6
227.12767	7.7
229.14343	1.2
239.23656	3.5
255.15976	3.8
257.24661	1.9
265.14212	1.0
267.16043	2.9
283.15399	48.8
284.15851	1.7
301.16458	42.8
302.16714	0.8
311.22281	1.0
313.27359	90.5
314.27719	2.2
367.28323	4.0
381.29855	0.8
395.31802	1.4
437.36105	1.0
438.37048	2.1
467.38068	0.9
505.38928	4.7
521.38373	24.4
522.38922	2.1
539.39423	100.0
540.39996	4.7
837.61786	0.7
866.87134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69639	0.4
65.03931	0.8
65.45875	0.4
67.05508	14.7
69.03439	3.0
69.06731	0.5
69.07067	7.1
69.36305	2.5
69.36723	1.0
71.05003	2.9
71.08633	14.0
73.02910	2.1
79.05496	11.0
81.03420	32.0
81.07060	18.4
83.04986	8.2
83.08620	16.1
85.02906	19.8
85.06524	0.7
85.10186	7.5
87.04449	0.6
89.06007	0.7
91.03500	0.5
91.03957	5.7
91.05482	16.0
93.07047	8.1
95.04973	12.9
95.08608	13.9
97.02895	6.1
97.06503	1.6
97.10171	5.7
98.21549	0.8
99.04414	0.8
99.08092	0.4
99.11743	0.5
103.07552	0.6
105.06408	0.6
105.07038	10.3
107.04961	2.9
107.08599	3.1
109.06550	2.6
109.10157	6.2
111.04407	1.7
111.08079	5.1
111.11682	1.0
112.90764	0.4
113.05965	1.5
115.03889	0.6
115.05424	0.8
117.07004	1.1
119.04887	0.4
119.07809	0.8
119.08586	10.4
121.06517	0.6
121.10138	5.4
123.08057	1.4
123.11720	2.5
125.09602	0.6
127.03933	2.0
129.07024	4.6
131.08574	5.6
133.06465	1.3
133.10124	6.7
135.11720	0.6
137.09584	0.9
137.13240	0.8
142.07744	1.7
145.04958	2.4
145.10051	1.1
147.08025	1.5
147.11696	8.5
149.09604	2.9
151.11128	0.8
157.08920	0.7
157.10132	8.6
163.05989	3.0
163.11209	0.6
165.12721	1.3
171.60663	0.5
175.09758	0.5
175.11195	7.7
184.07298	0.7
188.58987	0.4
192.86215	0.4
193.12245	25.6
211.13297	41.6
212.13693	0.4
216.03741	0.4
253.25342	1.0
267.15930	16.8
271.26227	0.8
283.15372	1.0
285.16968	58.4
286.17288	1.8
313.27411	1.0
327.28931	59.4
328.29352	1.7
377.06516	0.5
484.52954	0.4
519.40442	13.9
537.41510	100.0
538.41882	4.8
837.55334	0.5
915.46313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.8
67.05505	22.2
69.03422	3.2
69.07070	7.7
69.51485	1.5
69.51914	1.7
71.04989	2.2
71.08633	13.2
73.02907	2.9
75.04446	0.5
79.05492	13.6
81.03417	6.9
81.07056	22.7
83.04982	3.8
83.08622	9.8
85.02906	11.2
85.06516	1.2
85.10183	7.7
89.06019	1.1
91.03416	0.4
91.03957	6.8
91.05473	8.6
93.07048	11.8
93.73815	0.4
95.04970	9.5
95.08608	16.1
96.04457	0.5
97.02886	6.8
97.06492	1.4
97.10165	9.4
98.21096	1.5
99.04408	1.2
99.05752	0.4
99.07993	0.5
103.05436	0.6
103.07565	0.5
105.06396	0.6
105.07030	5.3
107.04952	4.2
107.08583	7.5
109.02855	1.1
109.06529	2.1
109.09476	0.6
109.10161	10.0
111.04449	0.5
111.08028	1.4
111.11684	1.1
114.11621	0.4
115.05441	0.7
117.06338	0.5
117.07023	6.0
119.08591	2.3
121.06522	3.9
121.10130	2.9
123.08047	1.4
123.11717	2.3
125.09624	7.7
127.03917	2.4
129.06979	1.0
131.08574	5.5
133.10141	2.5
135.08083	2.4
135.11684	1.1
137.09557	0.8
137.13223	0.7
141.06967	1.2
143.08572	0.6
145.04962	2.6
145.06462	0.8
145.10124	2.6
147.11676	0.5
149.09579	1.2
149.13219	1.7
154.07803	0.6
157.10100	0.6
159.11687	4.4
161.09544	1.2
163.06012	2.9
163.11159	0.4
169.10104	1.6
171.10126	0.7
173.11714	1.2
177.12788	3.1
179.10756	0.6
187.11130	2.3
189.11203	6.1
195.13866	0.6
205.12236	3.0
223.13301	32.5
223.66051	0.4
224.13582	0.7
225.68332	0.4
227.12769	5.7
229.14380	3.1
239.23674	1.2
257.24756	1.5
279.15958	3.4
297.16968	100.0
298.17371	2.5
313.27365	60.8
314.27664	1.2
467.37381	7.6
507.40622	0.6
517.38898	1.3
535.39941	57.2
536.39899	3.1
553.41272	2.2
642.31384	0.5
864.86841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54116	0.9
65.03926	4.7
65.71168	0.9
67.05506	100.0
68.05830	0.9
69.03430	7.9
69.06722	1.8
69.07069	23.7
69.56973	6.3
71.01344	1.8
71.04977	6.5
71.08624	1.2
73.02901	3.9
79.05494	49.4
81.03419	21.6
81.07058	69.0
83.04979	15.0
83.08625	15.1
85.02904	11.1
85.06540	5.2
87.04458	3.7
91.05482	42.9
91.05973	0.7
91.06069	1.4
93.07045	44.3
95.04980	12.4
95.08607	25.5
96.05744	0.9
97.02881	5.7
97.06535	12.0
97.10170	12.5
98.21466	2.0
99.04443	1.7
99.08077	3.7
103.05452	2.0
105.06387	1.9
105.07034	24.8
107.04963	10.1
107.08593	30.3
108.45868	0.9
109.02855	2.3
109.06518	7.9
109.10158	51.9
110.10529	1.0
111.04414	2.5
111.08078	5.1
111.11742	1.0
115.05437	2.5
116.04692	1.1
117.07030	12.1
119.08571	21.4
121.06475	4.0
121.10151	15.3
123.04457	1.4
123.08054	4.2
123.11691	3.4
125.09635	12.7
127.03876	3.4
128.06235	1.1
129.05446	4.2
129.07007	5.0
129.07819	1.0
130.07726	1.1
131.08582	16.5
133.06479	2.1
133.10136	18.1
133.33186	1.1
135.08043	3.2
135.11690	14.5
137.09596	5.5
139.11223	1.1
141.06952	1.3
143.08545	2.7
143.10684	1.4
145.04999	1.1
145.06494	1.8
145.10118	10.9
147.08035	2.8
147.11676	10.2
149.09628	8.8
149.13249	11.7
151.11159	3.0
153.12843	2.1
155.08548	1.9
155.10672	3.3
157.10120	3.9
159.08122	1.1
159.11676	11.5
161.09686	1.7
161.13263	3.3
163.11182	12.6
165.12730	2.3
169.10069	1.7
171.11659	3.1
173.04442	2.3
173.11728	15.6
173.13249	3.1
175.11151	2.2
177.12744	4.5
179.10660	1.3
179.14316	1.5
181.12228	2.9
183.11722	1.3
189.11238	1.9
191.10669	2.3
193.12166	2.7
195.13826	8.5
197.13316	1.7
199.13351	5.1
201.16481	1.3
207.13837	1.1
209.11739	3.4
211.13280	1.8
227.12729	6.2
229.14366	37.5
229.19337	1.7
231.13670	1.1
239.18094	1.2
247.20631	1.2
251.16400	2.0
253.14357	1.6
255.15936	11.5
257.13821	1.3
257.19131	5.8
261.14987	1.5
265.14426	1.3
267.15912	6.3
269.17474	27.2
275.17294	1.3
275.20111	16.9
283.15491	4.7
285.16904	1.7
293.17636	1.0
301.16370	9.0
331.22617	1.6
335.25888	1.4
349.23834	10.7
367.24753	3.6
393.26300	1.9
399.23813	14.4
409.25861	7.9
411.27292	1.9
423.27429	24.8
434.29202	1.2
477.28558	1.7
495.29767	5.6
503.33862	6.2
521.34528	2.1
529.39191	1.9
567.30725	1.0
575.35931	1.4
579.35004	3.6
593.36755	28.1
666.17328	1.3
673.42529	3.7
691.44489	2.2
888.49878	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	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09228	0.9
65.03951	5.0
67.05508	100.0
68.05855	1.7
69.03436	9.3
69.06717	1.9
69.07072	29.3
71.01351	2.5
71.04995	7.3
73.02902	1.8
77.03944	1.8
79.05495	50.5
81.03425	19.6
81.07061	74.1
83.01347	1.2
83.04982	16.0
83.08616	18.0
84.12939	0.8
84.28004	1.0
85.02912	14.8
85.06535	5.3
87.04466	3.5
91.05484	47.2
93.07048	46.8
93.24510	0.9
95.04972	15.2
95.08614	29.8
97.02902	6.3
97.06541	15.5
97.10181	14.2
99.04443	2.3
99.08097	4.2
103.03931	1.4
103.05492	2.1
105.04517	1.1
105.07030	26.7
106.07353	0.9
107.04957	10.6
107.08604	28.5
109.02892	2.4
109.06536	7.2
109.10161	59.9
111.04426	2.7
111.08092	8.4
113.09653	2.1
115.05446	2.3
117.07021	15.2
119.08584	25.9
121.06528	6.3
121.10148	13.4
123.07291	0.9
123.08083	4.3
123.11717	3.0
125.09635	14.0
127.03928	3.7
127.07587	1.4
128.06227	2.1
129.05463	4.1
129.06993	6.5
130.07805	2.2
131.05019	1.2
131.08582	16.8
131.87872	1.0
133.06517	3.0
133.10135	17.4
135.08055	5.4
135.11696	15.3
137.09586	5.6
139.07567	1.4
139.11226	1.4
143.08569	3.5
143.10684	1.1
145.06503	1.4
145.10135	14.2
145.11261	1.3
147.08038	3.2
147.11691	9.9
149.09616	12.6
149.13255	12.7
151.11160	1.8
153.12750	2.2
155.08566	2.4
155.10683	2.4
157.08818	1.9
157.10150	4.4
159.08072	1.9
159.11697	11.3
161.05928	1.1
161.09714	1.6
161.13301	2.8
163.11195	14.3
165.09059	1.1
165.12711	2.3
169.10124	3.0
171.06514	1.6
171.10359	1.2
171.11609	4.5
173.04454	1.4
173.09558	2.1
173.10324	1.2
173.11755	14.8
173.13287	2.9
175.11189	3.6
177.12767	3.5
179.14328	2.4
181.12242	2.7
183.11700	2.4
185.11812	1.0
185.13277	1.2
187.11154	1.5
187.14871	1.1
189.11223	3.2
191.10631	3.7
193.12225	3.9
195.12115	0.9
195.13834	6.1
198.00398	0.9
199.13287	5.1
209.11725	4.7
211.13307	2.8
216.17213	0.9
217.14233	1.3
223.13351	1.5
226.97797	0.9
227.12816	9.5
229.14371	37.6
229.19438	2.1
233.15352	1.4
239.18068	1.8
247.17175	1.0
247.20625	1.8
251.16376	1.4
253.14363	1.6
255.15926	8.5
257.13672	1.3
257.19049	5.5
265.14276	1.8
267.15948	6.4
269.17484	22.3
275.17328	0.8
275.20081	21.8
283.15482	5.0
291.19565	3.5
292.19855	1.0
293.21033	2.8
301.16486	10.2
321.24084	1.6
331.22928	1.8
347.22232	1.6
349.23749	18.6
367.24631	3.5
384.01883	1.0
399.23837	12.8
409.25793	9.1
411.27576	1.5
413.21652	1.0
423.27390	27.9
424.27985	1.4
439.27271	1.2
445.46021	1.2
481.28070	1.2
495.29526	4.3
503.33798	8.7
521.34729	3.1
529.38654	1.3
557.34570	1.2
573.33588	1.2
575.35730	1.7
579.35193	3.8
591.35425	1.4
593.36896	23.6
594.36682	1.7
673.42804	5.2
691.43805	2.8
737.39795	1.2
888.47998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73490	0.9
63.69970	1.0
65.03944	8.0
67.05505	100.0
68.05022	1.5
68.05829	1.0
69.03427	12.7
69.07069	70.7
69.53465	7.7
70.07388	1.0
71.01356	2.3
71.04984	6.4
72.10067	1.2
73.02914	2.6
77.03930	1.6
79.05495	68.7
81.03417	15.5
81.07058	76.9
83.04984	12.8
83.08614	15.9
85.02916	9.7
85.06544	4.4
87.04479	1.5
89.07601	1.0
91.03956	2.1
91.05482	72.5
92.05805	1.3
93.07047	61.6
94.07349	1.4
95.01322	1.5
95.04975	18.1
95.08609	51.2
97.02890	7.8
97.06534	20.9
97.10172	12.5
98.06020	1.0
98.21530	1.9
99.04456	1.6
99.08082	3.6
103.05465	2.5
105.04494	1.6
105.07030	50.5
107.04962	14.0
107.07862	1.9
107.08595	32.8
109.02885	2.7
109.06534	7.8
109.10161	44.3
111.04433	2.2
111.08069	8.3
113.05965	1.7
113.09667	2.1
115.05460	4.6
116.04694	2.0
116.06187	1.0
117.07023	20.0
119.04957	1.7
119.08582	35.9
121.06503	6.6
121.10149	20.2
123.04424	1.5
123.08073	4.9
123.11729	3.6
125.06052	1.2
125.09631	12.1
127.03905	2.7
127.07643	1.0
128.06216	2.6
129.05472	4.8
129.07011	9.6
130.07790	1.3
131.08568	21.4
133.06493	3.1
133.10139	27.6
133.69849	1.0
134.10434	1.7
135.08066	9.0
135.11690	12.8
137.09618	12.1
139.11147	1.6
141.06982	3.3
142.07758	1.6
143.07080	1.3
143.08563	8.7
145.06467	2.2
145.10130	19.4
145.47083	1.1
147.08031	3.6
147.11685	12.3
149.09625	25.4
149.13289	7.4
151.11169	5.4
153.09177	1.3
155.08586	3.8
155.10716	2.3
155.29745	1.0
157.08852	1.6
157.10114	6.8
159.08028	2.3
159.11699	13.0
161.09622	2.9
161.13260	9.1
163.11186	16.5
165.09087	2.4
165.12726	1.2
167.10614	1.5
168.09299	1.1
169.10088	5.3
171.10223	2.5
171.11710	7.1
173.04515	1.1
173.09674	2.6
173.11729	8.0
173.13266	5.6
175.11237	3.6
177.12767	3.9
179.14320	6.3
181.10184	1.9
181.12154	1.4
183.11726	3.7
184.13261	1.4
185.13306	2.2
187.11203	2.4
187.13437	1.6
187.14903	1.5
189.11220	3.5
191.10704	2.2
191.14330	1.3
193.12181	1.8
195.11726	1.9
195.13736	2.1
197.13316	3.9
199.13222	1.6
199.14867	1.7
201.12784	1.6
211.14932	1.2
215.18082	1.9
223.13342	4.1
227.12700	6.5
229.14308	12.2
229.19475	2.8
239.17897	3.0
243.15962	2.5
245.19098	2.4
247.20589	3.2
253.17978	2.5
255.15991	3.3
257.19037	7.6
259.20685	1.5
267.15851	2.1
269.17480	5.1
273.18497	4.1
275.20078	33.6
276.20468	1.3
283.15427	3.9
291.19519	8.1
293.21130	4.0
297.17032	1.5
321.24207	1.1
331.22598	1.4
349.23761	32.4
365.23276	3.5
383.24344	2.9
399.24106	1.7
407.27982	1.6
408.60422	1.1
423.27454	2.2
445.29495	2.3
477.28448	1.3
503.33551	3.9
527.37201	3.7
529.34808	1.5
543.36835	1.4
569.18378	1.1
623.42975	8.5
641.43854	1.5
665.36884	1.3
765.61505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93187	0.2
67.05502	3.6
69.03435	3.1
69.07064	1.3
69.66090	0.5
69.66496	1.4
71.01369	0.3
71.04996	0.6
71.08621	1.3
73.02921	3.6
75.74555	0.2
79.05505	2.4
81.03421	2.9
81.07050	3.7
82.07404	0.3
83.04982	0.7
83.08627	1.3
85.02908	7.0
85.06516	0.4
85.10208	0.6
87.04491	0.5
91.03954	3.0
91.05483	2.8
93.07052	2.5
95.04988	1.2
95.08619	2.7
97.02896	5.0
97.03499	0.3
97.06560	0.6
97.10183	0.6
98.20774	0.5
98.21433	0.5
99.04477	1.0
101.02391	1.8
103.03967	0.3
105.07028	1.7
106.07401	0.3
107.04972	0.4
107.08563	1.3
108.08954	0.3
109.02913	0.8
109.06499	0.4
109.10162	2.3
111.03644	0.2
111.08096	0.5
111.77489	0.2
115.03979	0.5
116.27530	0.3
117.07043	0.3
119.08548	1.5
121.10175	1.0
123.11748	0.3
125.09672	0.4
127.03892	1.6
129.07045	0.6
131.08588	0.7
133.10165	1.6
134.10475	0.3
137.09653	0.3
145.05002	0.4
145.10210	0.4
145.44682	0.2
147.11719	0.8
149.13301	0.4
151.11224	0.6
157.10226	0.5
161.13269	0.3
175.11217	0.4
185.04303	1.1
193.12312	1.0
203.05243	0.6
211.13362	0.5
229.14468	0.4
243.08421	2.5
251.12726	0.7
253.14314	1.3
254.14758	0.6
268.16342	0.3
269.17578	0.8
271.34326	0.3
274.18802	0.3
285.17068	0.3
287.17590	0.3
291.19733	0.3
307.15308	0.7
313.27563	0.8
335.26038	0.4
347.09476	1.4
363.09158	0.7
365.10745	0.9
365.23392	0.3
405.13693	5.4
469.20465	7.2
497.30783	3.4
526.41223	0.4
527.41614	0.3
529.38794	1.3
579.96375	0.3
627.13739	0.3
631.25751	6.3
637.96997	0.2
659.36084	3.3
725.44281	2.0
887.49738	100.0
888.49884	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	886.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.8
67.05505	57.8
69.03426	8.3
69.07068	24.8
70.78236	1.1
71.01353	1.2
71.04993	3.2
71.08630	1.2
71.57589	0.8
71.57952	0.8
73.02901	1.9
79.05492	26.4
81.03418	9.3
81.07055	31.3
83.04982	6.8
83.08617	11.3
85.02905	7.3
85.06548	2.9
87.04457	3.4
91.05482	22.3
93.07043	17.7
93.42765	0.9
94.04200	1.0
95.04967	7.3
95.08602	14.7
97.02888	10.2
97.06532	3.6
97.10169	16.6
104.17897	0.8
105.07027	15.4
107.04945	8.0
107.08586	14.1
109.06522	3.3
109.10154	34.8
110.10503	0.7
111.04419	1.0
111.08062	2.6
116.00858	0.7
116.04664	0.8
117.07001	6.7
119.04956	0.8
119.08582	13.1
121.06513	4.0
121.10132	7.1
123.04408	0.9
123.08048	4.0
125.05966	1.1
125.09628	11.9
127.03967	0.8
127.11257	0.9
128.06166	1.0
129.05476	1.9
129.06998	3.3
130.07759	0.9
130.08673	0.9
131.08560	8.1
133.06496	3.0
133.10135	7.2
134.07248	0.9
135.08046	4.9
135.11693	4.4
137.09584	4.1
139.47771	0.7
141.66013	0.8
143.08563	3.2
143.10651	1.6
145.10156	6.1
147.08041	4.9
147.11688	3.7
149.09610	2.2
149.13248	1.9
151.11154	3.7
153.12740	0.9
155.10684	2.1
157.10135	2.4
159.07957	1.0
159.11719	2.0
161.09622	2.7
161.13333	1.0
163.11206	5.4
165.09166	2.5
169.12201	1.0
171.11705	1.7
173.09660	1.6
173.11769	9.9
175.11055	1.8
181.12160	1.1
185.13286	1.0
189.11270	4.3
189.12813	1.3
191.10638	1.8
193.12256	2.3
199.13251	4.3
207.13817	0.8
209.11691	3.7
211.13239	1.2
223.13284	14.2
227.12794	9.0
229.12080	1.3
229.14354	26.1
245.18954	1.4
249.14867	3.5
253.14307	5.2
255.17503	1.1
263.19849	1.1
267.15887	2.9
271.15540	1.8
273.18451	15.7
283.15479	2.7
291.19534	100.0
292.19717	2.0
301.16528	5.7
313.27383	2.9
314.27762	0.9
347.22070	2.7
365.23236	35.4
399.23761	11.1
405.13571	1.0
425.25412	1.5
489.32111	2.2
507.33203	2.6
519.25415	1.5
519.33148	29.6
520.33594	1.2
573.34009	2.2
591.35284	4.6
609.35828	1.2
689.42480	11.5
752.99377	0.9
886.48340	0.9
887.49689	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	887.495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.8
69.03432	3.5
69.07080	1.5
69.52640	0.7
69.53069	1.1
71.01363	0.6
71.05010	0.6
71.08636	2.0
73.02919	4.1
77.79642	0.2
79.05493	1.5
81.03427	2.7
81.07058	3.5
82.07420	0.3
83.04984	0.7
83.08619	1.7
85.02908	6.2
85.06546	0.3
85.10172	1.3
87.04483	0.4
91.03955	3.9
91.05488	1.9
93.07053	1.4
95.04992	1.1
95.08611	2.8
96.81388	0.3
97.02893	5.5
97.03493	0.3
97.10182	1.0
98.21119	1.0
99.04478	0.9
101.02386	1.9
103.03983	0.3
105.07064	1.3
107.08607	1.3
109.02914	0.8
109.06538	0.3
109.10165	2.7
110.10516	0.4
111.08101	0.4
119.08632	0.7
121.10179	0.6
123.08109	0.3
123.11755	0.6
125.09670	0.4
127.03915	1.5
129.07028	0.6
131.08607	0.6
133.10193	1.0
145.05042	0.4
145.10170	0.3
147.11728	0.3
151.11293	0.3
157.10226	0.4
159.11652	0.4
173.11809	0.5
185.04301	0.9
193.12242	0.6
203.05371	0.6
209.11647	0.2
218.97791	0.2
223.13400	0.3
229.14470	0.9
243.08377	1.7
251.12770	0.8
267.16187	0.3
269.74695	0.3
273.18436	0.6
274.18784	0.3
285.17184	0.3
290.42490	0.2
291.19531	2.7
291.22382	0.3
292.19937	1.4
307.15259	0.5
313.27432	1.2
314.27856	0.3
347.09567	2.0
363.09015	0.5
365.10742	1.0
365.23441	1.1
366.23834	0.7
399.24249	0.4
400.24292	0.4
405.13712	4.6
469.20496	3.6
497.30823	5.7
497.37555	0.3
519.33191	0.5
520.33636	0.8
562.84741	0.3
631.25836	3.0
651.06708	0.3
659.36188	6.3
660.35852	0.3
690.42932	0.6
725.44379	1.6
794.16949	0.3
887.49750	100.0
888.49969	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	886.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.1
67.05505	57.4
69.03123	0.7
69.03435	8.3
69.07071	24.5
69.90951	3.0
71.01334	0.8
71.05001	3.2
71.08616	0.9
73.02899	1.6
79.05491	25.8
79.05954	1.4
81.03416	10.0
81.07057	29.0
83.04990	7.0
83.08622	12.1
84.08146	0.7
85.02903	6.2
85.06535	2.8
87.04458	2.7
91.03957	0.7
91.05481	21.0
93.07047	20.9
95.04971	10.3
95.08604	11.9
97.02901	9.1
97.06533	5.2
97.10168	17.9
98.21011	1.5
99.04445	0.8
103.03976	0.7
103.05489	0.8
105.07027	16.1
107.04954	7.5
107.08597	17.8
107.58437	0.6
109.02869	0.9
109.06522	4.6
109.10152	37.2
111.04443	1.4
111.08088	3.9
113.05972	0.9
115.05472	1.4
117.07027	5.7
119.04947	1.5
119.08588	12.3
121.06491	4.8
121.10149	5.2
123.04440	0.8
123.08067	3.0
123.11711	1.4
125.09624	13.8
126.20263	0.6
128.06235	1.0
129.05479	2.2
129.06982	3.7
130.08633	1.0
131.08572	6.7
133.06482	2.8
133.10141	10.7
134.07300	0.6
135.08029	4.3
135.11679	3.3
137.09627	4.2
139.11153	1.1
141.09117	0.7
143.08571	3.8
143.10664	1.3
144.09372	0.8
145.06453	1.1
145.10141	7.6
147.08057	5.9
147.11713	2.3
149.05984	0.7
149.09587	3.1
149.13245	2.5
151.11220	3.9
153.09120	1.5
153.12749	1.7
154.31818	0.6
155.10681	2.8
157.08664	0.9
157.10085	2.5
159.08075	0.9
159.11684	2.4
161.09628	2.8
161.13138	0.7
163.11166	4.4
165.09111	1.7
168.24130	0.6
168.56845	0.6
168.94542	0.6
169.12247	1.5
171.11652	0.9
173.09578	1.4
173.10313	0.8
173.11754	10.1
173.13185	1.4
175.11205	1.9
177.12773	1.6
181.12244	1.9
184.32199	0.6
185.13309	0.8
187.11276	0.8
189.11226	4.0
189.12695	1.0
191.10645	2.0
193.12254	2.4
195.13751	1.0
199.13252	5.1
205.12183	1.5
209.11699	4.0
211.13254	1.2
223.13292	15.0
227.12750	7.3
227.17737	1.1
229.14349	32.4
238.40181	0.7
245.19029	1.4
249.14806	3.7
253.14281	7.7
263.20096	0.7
267.15976	2.9
271.15411	1.8
273.18491	13.9
283.15536	3.1
289.17526	0.8
291.19547	100.0
292.19876	2.7
301.16501	8.6
313.27423	2.1
347.22107	2.0
365.23242	36.2
399.23709	10.5
411.69290	0.8
421.25452	0.8
425.25363	1.9
439.26871	1.0
489.31970	2.7
501.31912	0.9
507.33203	1.8
509.38367	1.1
519.33185	29.0
520.33337	1.1
573.34033	2.3
591.35406	5.4
609.36133	1.0
689.42615	11.1
800.63599	0.7
865.15649	0.7
886.46588	0.9
887.49554	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	885.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.4
69.03432	3.5
69.07090	0.7
71.01360	0.8
71.04984	0.7
71.08630	1.6
71.93888	0.3
73.02921	4.1
78.58205	0.3
79.05502	1.2
81.03427	2.4
81.07066	1.6
83.01327	0.3
83.04982	0.6
83.08646	0.9
85.02908	6.2
85.10199	1.3
87.04466	0.5
91.03960	3.3
91.05499	0.8
93.07071	0.8
95.05000	0.5
95.08615	1.3
97.02896	6.1
97.03502	0.3
99.04491	1.3
101.02384	2.0
103.03960	0.4
105.07084	0.4
107.04986	0.4
107.08628	1.1
109.02866	1.3
109.10174	0.8
117.07088	0.4
119.08625	0.6
121.10193	0.4
123.11731	0.4
127.03915	1.8
135.11708	0.7
143.51987	0.3
145.04958	0.3
145.10156	0.5
163.11153	1.3
177.09531	0.3
181.12379	0.3
185.04251	1.1
193.70018	0.3
217.05426	0.4
240.56451	0.3
243.08458	2.2
249.11177	0.4
251.63165	0.3
283.15506	0.6
305.13712	0.3
313.27505	1.1
314.27704	0.4
314.80319	0.3
347.09482	2.4
363.09079	0.5
365.10739	1.1
405.13696	5.0
467.18909	8.2
468.38107	0.4
497.30875	4.6
526.41895	0.5
629.24127	5.6
630.23767	0.3
648.53864	0.3
659.36359	4.0
670.54846	0.4
723.42743	1.7
885.48145	100.0
886.48419	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	886.464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.0
67.05167	1.1
67.05508	16.5
69.03419	3.0
69.07069	3.2
69.43227	3.0
69.43641	1.9
71.04984	2.2
73.02917	1.2
77.03946	0.7
79.05056	1.0
79.05493	16.4
79.77200	0.6
81.03422	77.0
81.07062	17.2
83.04990	7.9
83.08625	19.4
85.02910	10.3
85.06541	1.0
91.03934	1.6
91.05485	21.7
93.07044	11.4
95.04974	26.8
95.08607	7.3
96.69166	0.6
96.84630	0.6
97.02896	4.2
97.06510	2.2
97.10191	4.8
98.20866	2.0
99.08067	1.0
102.96986	0.7
103.05479	1.0
105.06376	1.2
105.07035	15.8
107.04955	7.0
107.08586	6.0
109.06519	4.5
109.10155	3.0
111.04426	2.3
111.08096	8.3
115.05437	1.2
117.07011	2.5
119.04957	1.5
119.07796	1.2
119.08586	13.5
121.06519	3.8
121.10143	7.3
123.04443	1.1
123.08052	1.8
123.11726	0.9
125.09659	3.4
127.03938	0.8
128.06224	0.7
129.07008	10.6
131.04878	1.1
131.08582	10.3
133.06511	3.9
133.10132	6.5
135.08049	1.6
135.11688	1.4
137.05965	0.8
137.09593	2.0
141.06990	0.7
142.07787	2.0
143.08548	1.4
145.05049	0.8
145.06483	3.9
145.10135	2.0
147.08055	5.0
147.11691	9.9
149.09622	5.8
153.09084	1.1
155.08557	1.5
157.06508	1.4
157.10156	12.3
159.08040	1.4
159.11670	1.2
161.05963	1.0
161.09634	0.9
163.05946	0.8
163.11212	1.5
165.12726	2.5
169.06511	0.7
171.08031	1.4
171.11752	0.9
175.11191	12.1
187.11333	0.8
189.11276	1.3
193.12259	32.1
195.07994	0.6
195.11694	1.3
197.13289	0.8
205.12198	0.8
206.52286	0.7
211.11336	1.2
211.13284	12.0
215.14310	1.1
217.12219	0.6
223.13263	0.6
227.12775	1.7
229.14253	1.2
233.15340	0.8
249.14867	2.1
255.13905	2.2
259.13516	0.8
267.15924	100.0
268.16263	1.8
273.14850	4.7
285.16998	11.7
309.17010	1.0
339.23325	1.1
341.21201	1.8
349.21652	2.7
367.22672	7.4
385.23770	11.3
403.24973	3.1
415.24658	1.6
433.25906	17.1
441.26468	6.9
459.27426	76.3
460.27832	3.2
477.28513	46.9
478.28830	1.6
501.28543	1.6
519.29333	1.8
543.29517	0.9
573.31055	0.9
585.30493	1.5
603.31360	2.0
621.32385	0.9
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
63.46538	0.4
65.03909	1.5
67.05503	50.8
68.05797	0.7
69.03412	2.5
69.07063	6.6
69.94766	0.5
70.89215	0.5
71.04990	14.4
71.08632	19.6
71.09264	1.7
71.09650	0.6
73.02893	2.4
73.48330	0.6
79.05494	5.3
80.81210	0.5
81.03382	1.0
81.07056	19.6
83.04951	1.9
83.08620	10.9
85.02904	8.2
85.06522	2.6
85.10184	11.4
91.03961	5.7
91.05482	7.3
92.78899	0.5
93.07047	9.4
95.04941	1.2
95.08606	20.7
97.02902	4.6
97.06490	2.0
97.10170	3.5
98.21227	0.6
99.04412	0.7
99.08070	0.8
99.11711	0.8
104.57846	0.5
105.06985	0.6
105.89781	0.5
107.08592	4.0
109.06471	1.1
109.10155	53.4
110.10441	0.6
111.08042	1.7
111.11661	1.1
115.03856	0.6
117.06985	1.1
119.08587	6.6
121.10101	2.0
123.11704	3.2
125.09572	0.8
127.03883	1.7
133.10109	0.9
135.10802	0.7
135.11687	7.1
137.09593	8.1
137.13228	1.8
145.04958	2.7
145.10098	2.1
147.11656	0.6
151.14810	0.6
155.10661	3.3
163.06052	2.5
163.11160	1.8
169.12236	1.2
173.11734	8.8
181.12245	2.1
187.13257	0.8
189.10883	0.6
198.94998	0.6
229.14339	0.7
239.23631	3.2
243.15962	1.5
255.15851	3.6
269.17441	1.4
287.18521	17.3
313.27368	15.5
314.27704	0.7
332.59155	0.5
352.49866	0.5
431.22720	0.8
432.75607	0.6
467.37323	80.8
468.37546	2.9
477.36261	0.6
481.39075	2.0
493.38876	6.3
525.41498	100.0
526.41675	4.4
669.45416	0.8
682.65869	0.6
805.02460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.3
67.05508	56.0
67.06037	1.4
69.03428	2.4
69.07072	7.9
69.93286	0.4
71.04999	16.3
71.08635	16.9
71.24135	0.5
71.24489	1.1
73.02886	1.7
79.05502	7.5
79.36507	0.4
81.03423	2.2
81.07060	19.2
83.04954	2.1
83.08621	11.2
85.02435	0.6
85.02905	8.7
85.06515	2.1
85.09729	0.7
85.10188	11.8
87.04479	0.5
90.48688	0.4
91.03967	5.6
91.05486	8.2
93.07050	8.0
95.04960	0.8
95.08613	21.2
96.04475	0.6
97.02335	0.6
97.02886	5.4
97.06564	2.4
97.10188	3.9
99.04442	1.1
99.08057	0.6
99.11700	0.6
103.52071	0.4
105.07038	1.2
107.08589	4.4
109.06490	0.6
109.10161	55.0
110.10466	0.7
111.08038	2.1
111.11681	1.0
117.07013	1.0
119.08589	7.5
121.10138	2.4
123.11697	2.7
125.13301	0.6
127.03938	2.2
133.10110	0.7
135.11702	6.6
136.90248	0.4
137.09618	7.8
137.13225	1.4
145.04926	1.7
145.10133	2.1
155.10692	3.3
163.06012	2.8
163.11270	2.4
169.12234	1.0
173.11749	9.4
181.12195	1.7
211.13287	0.5
211.60458	0.4
229.14331	0.7
239.23708	2.6
243.15909	1.4
255.15953	3.8
269.17459	1.2
287.18518	17.1
313.27377	16.7
314.27829	1.0
408.37064	0.5
431.22656	1.3
467.37350	80.2
468.37619	3.1
481.39029	2.9
493.38998	4.5
507.40695	0.5
507.83328	0.5
525.41522	100.0
526.34515	0.7
526.41760	4.4
532.59387	0.5
559.56097	0.6
587.46899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88352	0.5
65.03919	0.6
67.05165	0.9
67.05505	14.2
69.03428	3.3
69.07069	6.5
70.83577	1.3
71.04987	2.1
71.08632	13.5
73.02913	3.1
77.03963	0.6
79.05492	10.3
81.03419	29.5
81.06575	0.7
81.07060	16.7
83.04989	6.9
83.08623	15.1
85.02908	18.8
85.03425	1.0
85.06516	0.7
85.10185	7.9
87.04486	0.7
89.06035	0.7
91.03960	5.5
91.05485	14.1
92.05795	0.5
93.07057	5.8
95.04971	11.9
95.08612	13.6
96.04485	0.6
97.02888	5.3
97.06525	2.2
97.10190	3.1
98.21091	0.8
99.04452	0.9
103.07591	0.8
105.07039	9.6
107.04985	3.0
107.08598	3.2
109.06528	1.9
109.10161	6.5
111.04455	1.0
111.08079	5.5
111.11692	0.7
113.06017	1.2
115.05488	0.7
117.06964	0.9
119.05018	0.5
119.08583	7.9
119.09361	1.0
121.10149	4.1
123.08086	1.4
123.11718	2.7
125.09593	0.7
127.03923	1.8
129.07005	5.9
131.08569	5.0
133.06467	1.0
133.10139	6.0
137.09637	1.0
137.13272	0.8
142.07773	1.1
145.04941	2.5
147.08061	1.4
147.11696	7.6
149.09633	2.8
151.11183	0.5
157.10123	6.2
163.06049	2.5
165.12764	1.4
175.11188	7.9
193.12245	23.9
199.80676	0.5
211.13306	41.1
214.65224	0.6
239.23735	1.8
257.24591	0.9
267.15936	15.9
285.16968	62.1
286.17264	1.2
313.27371	60.8
314.27676	1.2
315.91992	0.5
505.38895	14.1
523.39954	100.0
524.40222	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	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	9.9
65.03896	0.9
67.05504	12.1
69.03399	2.0
69.07074	7.0
69.25225	4.5
69.25636	1.5
71.01314	0.7
71.04957	2.8
71.08630	18.6
73.02929	3.5
79.05494	10.0
81.03420	6.0
81.07056	19.6
83.01343	4.8
83.04977	5.2
83.08619	11.0
85.02907	13.4
85.06503	1.3
85.10188	11.9
89.06000	0.6
91.03965	8.3
91.05496	6.4
91.55474	0.6
93.07046	15.7
95.04966	3.8
95.08614	19.5
97.02380	0.6
97.02892	7.4
97.06506	2.3
97.10186	4.0
98.21121	3.0
99.04417	1.7
99.11722	1.0
103.07539	0.6
105.07039	5.1
105.54956	0.6
107.04957	4.6
107.08607	9.8
109.06516	4.0
109.10165	7.8
111.04422	1.5
111.08035	1.6
111.11710	0.9
117.07039	4.8
119.08595	4.4
121.06477	2.1
121.10145	4.9
123.08069	4.3
123.11668	2.3
125.05974	0.9
125.09654	1.0
127.03937	3.1
129.06973	1.0
130.07762	0.8
131.08505	1.7
135.08005	1.0
135.11710	11.1
137.09595	1.1
137.13257	1.2
145.04913	3.4
145.06407	0.7
145.10130	10.7
147.08054	1.5
153.12701	1.8
163.06000	3.6
163.09831	1.1
163.11198	18.7
173.09570	2.4
179.40695	0.6
181.12231	3.9
191.10619	1.7
209.11700	3.9
215.77284	0.7
227.12772	8.3
239.23671	1.6
257.24835	1.5
283.15402	91.5
284.15750	2.3
313.27359	99.9
314.27628	2.4
521.38385	100.0
522.38635	4.2
723.51910	0.6
903.08215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23617	0.2
65.03949	0.6
67.05506	18.7
69.03429	3.6
69.07068	10.0
70.75239	0.3
70.75556	0.5
71.04994	3.2
71.08633	22.4
73.02919	2.8
74.00645	0.3
75.04496	0.3
76.42353	0.3
79.05493	11.8
81.03419	34.9
81.07057	23.5
83.04982	7.6
83.08620	20.6
85.02905	20.7
85.06554	1.5
85.10184	13.0
87.04480	0.6
89.06039	1.0
91.03957	6.0
91.05483	15.3
93.06458	0.5
93.07047	10.2
95.04349	0.5
95.04971	12.8
95.08608	21.2
95.88981	0.3
96.04483	0.3
96.08964	0.2
97.02890	7.1
97.06528	2.5
97.10165	5.9
98.20967	0.3
99.04463	1.2
99.08102	0.9
99.11738	0.7
101.06022	0.4
103.07583	0.9
105.07033	12.6
107.04955	4.1
107.08591	4.3
109.02899	0.7
109.06516	2.4
109.10149	8.3
111.04472	1.3
111.08078	5.9
111.11699	0.8
113.06016	1.3
115.03918	0.3
115.05448	0.7
116.06300	0.3
117.07028	1.0
117.09153	0.4
119.04920	0.5
119.08584	10.9
121.06527	1.0
121.10143	5.6
123.04507	0.3
123.08081	0.9
123.11697	3.5
125.09651	0.9
125.13258	0.5
127.03938	2.2
127.07523	0.3
129.07005	6.2
129.07906	0.5
131.08566	6.5
133.06502	1.6
133.10132	7.1
135.08156	0.3
135.11685	0.5
137.06015	0.3
137.09619	1.0
137.13286	1.2
142.07805	1.4
145.04980	2.3
145.10121	1.1
147.08051	1.6
147.11681	8.5
149.09631	4.4
151.11176	0.4
151.14870	0.5
157.10129	8.4
163.06017	2.3
163.11232	0.4
165.12793	2.0
165.16402	0.3
175.11200	9.0
184.07411	0.3
193.12247	21.5
194.12601	0.4
211.13297	25.5
221.22620	0.3
239.23747	2.1
249.14856	0.4
257.24741	1.5
267.15918	13.2
285.16959	35.6
286.17288	0.4
313.27362	73.4
314.27710	1.5
338.05096	0.3
431.34979	0.3
505.38879	18.4
506.39108	0.7
523.39935	100.0
524.40283	3.5
667.44373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.9
64.66686	0.4
65.03921	0.5
67.05507	15.4
69.03426	0.8
69.07073	6.0
69.61801	0.4
70.82420	1.0
71.04980	1.2
71.08636	10.8
73.02917	0.9
73.06572	0.8
79.05497	18.9
80.68077	0.4
81.03407	2.6
81.07060	16.3
83.04987	3.5
83.08626	5.3
83.54208	0.4
85.02895	2.6
85.06531	1.2
85.10188	6.4
89.06021	0.5
90.39994	0.5
91.03949	1.7
91.05485	14.9
93.06464	1.0
93.07052	20.5
95.04980	5.5
95.08609	16.5
97.02897	1.5
97.06531	1.2
97.10181	3.1
99.08121	0.5
103.05470	0.5
103.07578	0.7
105.04539	0.7
105.07039	11.1
107.04958	1.4
107.08616	4.3
109.06509	2.0
109.10159	5.1
109.46590	0.5
111.08070	0.7
117.07001	2.6
119.08585	7.7
119.09361	0.8
121.06491	0.8
121.10131	1.6
123.08047	1.8
123.11700	1.8
127.07601	0.7
128.06189	0.8
129.07042	4.6
131.08582	1.0
133.10153	3.4
135.11717	0.6
137.13217	0.8
143.08591	2.9
145.10159	2.6
147.08057	0.8
147.11690	12.6
161.09663	1.0
161.13274	3.5
163.06050	0.4
171.11685	6.1
189.12767	2.9
207.13821	6.9
225.14931	0.8
237.49518	0.5
239.23805	1.3
257.24780	0.5
260.73785	0.5
281.17484	36.9
282.17841	1.0
306.76093	0.4
308.21140	0.6
313.27386	36.1
314.27945	1.1
519.40472	100.0
520.40942	5.5
535.49908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.9
65.03920	0.4
66.86294	0.3
67.05505	8.7
69.03432	1.8
69.06726	0.3
69.07065	4.2
70.15201	1.0
71.01330	0.6
71.04984	1.8
71.08630	12.5
73.02914	2.5
79.05494	9.2
81.03418	5.7
81.07057	12.6
83.00890	0.3
83.01335	3.9
83.04564	0.3
83.04980	4.9
83.08621	9.1
85.02905	11.7
85.06525	0.7
85.10182	7.5
87.04472	0.3
89.05981	0.9
91.03954	6.0
91.04980	0.4
91.05476	6.0
93.07045	10.9
95.04453	0.3
95.04972	3.0
95.08607	11.9
96.04465	0.6
97.02299	0.3
97.02895	5.9
97.06525	2.4
97.10172	3.0
98.21201	0.6
99.04478	1.4
99.08035	0.4
99.11697	0.5
103.07563	0.7
105.07034	4.4
105.29977	0.2
107.04957	3.7
107.07867	0.3
107.08593	6.6
109.02870	0.4
109.06513	3.3
109.09457	0.3
109.10148	4.6
111.04459	1.4
111.08044	0.8
111.11695	0.8
115.03922	0.4
117.06342	0.3
117.07027	3.7
119.08588	3.9
121.06473	1.1
121.10139	4.2
123.08079	4.9
123.11729	1.4
125.05952	1.0
125.09580	0.7
127.03918	2.2
129.06981	0.7
130.07756	0.8
131.08557	1.8
133.10083	0.8
135.08038	1.0
135.11700	6.7
137.09598	0.8
137.13141	0.3
139.07513	0.4
145.04971	3.5
145.06253	0.4
145.10121	9.1
147.08029	1.1
149.09575	0.4
151.14757	0.4
153.12708	1.1
155.08551	0.8
163.06030	3.8
163.11191	12.9
165.08960	0.3
173.09608	1.9
181.12241	1.9
191.10713	1.5
209.11694	4.5
227.12825	2.2
227.14761	0.4
239.23700	1.3
257.24744	0.8
278.53540	0.3
283.15390	100.0
284.15744	2.3
313.27350	68.6
314.27658	1.7
371.07278	0.3
422.44687	0.4
521.38367	48.7
522.39032	2.0
713.29761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	2.3
65.03931	1.1
67.05510	19.5
67.05873	1.1
69.03404	0.5
69.07062	6.2
69.66828	3.1
71.04972	1.0
71.08282	0.7
71.08636	11.5
73.02921	1.2
73.06547	1.0
79.05493	25.2
81.01923	0.4
81.03423	2.9
81.07061	18.6
81.61569	0.5
83.04980	5.5
83.08626	5.9
84.44466	0.5
85.02905	3.1
85.06548	1.3
85.10182	6.2
89.06023	0.5
90.05193	0.5
91.03957	1.7
91.05479	21.3
93.07046	25.2
95.04971	8.2
95.08609	18.4
97.02894	1.7
97.06527	2.0
97.10173	2.8
98.21253	1.6
103.05439	0.6
103.07550	0.6
105.04489	0.8
105.07031	14.5
107.04952	2.2
107.08592	6.8
107.75526	0.4
109.06519	1.4
109.10168	5.8
115.05447	0.8
117.07008	2.6
119.08596	9.2
121.06503	0.5
121.10181	0.9
123.08102	1.7
123.11712	1.9
128.06230	0.8
129.07022	6.1
131.08524	1.2
133.06496	0.6
133.10138	4.3
137.13261	0.6
141.09088	0.7
143.08560	3.5
145.04959	1.0
145.10143	4.7
147.08014	1.5
147.11687	15.4
161.09644	1.7
161.13240	4.5
171.11716	8.7
185.74551	0.5
189.12720	3.2
207.13799	14.5
239.23804	1.0
250.52037	0.5
257.24796	0.7
273.47034	0.5
281.17474	49.3
282.17770	0.6
298.70511	0.5
313.27365	40.0
314.27664	1.4
362.31540	0.5
472.70557	0.5
478.74493	0.5
519.40448	100.0
520.40912	4.6
537.41010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.2
68.99781	1.4
69.03429	20.9
70.87257	1.8
71.01342	2.8
71.04996	20.7
71.37130	0.8
73.02919	21.5
75.04462	2.0
81.03414	2.3
83.04984	20.2
85.02904	41.1
87.04460	1.7
95.04974	2.2
96.79065	0.7
97.02281	1.8
97.02894	29.5
97.06489	0.9
98.21325	0.7
99.04453	1.7
101.66402	0.8
103.03918	1.1
109.02894	2.1
111.00807	1.5
111.04440	14.1
113.02367	0.9
113.05979	1.7
115.03928	12.4
117.05484	1.2
127.03914	1.7
129.05469	12.8
133.04956	2.0
135.04378	1.3
137.02336	2.1
137.05981	0.8
139.03882	2.2
141.70837	0.8
145.04971	0.8
147.06508	7.2
152.29652	0.7
153.01826	12.9
153.05531	0.9
157.04974	2.2
163.03923	1.5
163.05997	1.6
165.01834	3.1
169.04956	1.0
171.06544	3.2
179.03320	2.3
183.02858	1.7
183.06487	1.2
187.06052	1.3
189.05431	1.3
195.02919	1.6
199.06122	0.8
203.03343	1.3
207.03017	1.2
207.06502	1.2
211.05983	0.7
217.05008	2.6
219.02924	0.9
221.04378	0.9
225.07556	11.2
231.02831	0.9
238.05898	0.7
239.09160	2.4
243.08614	5.3
245.04478	5.0
261.09695	2.3
269.04498	1.2
273.03882	4.0
279.10687	5.7
286.04501	0.8
287.05594	1.0
290.04114	0.8
297.03796	0.9
301.03302	1.5
315.05005	1.4
318.03723	1.5
319.04483	100.0
320.04871	2.5
329.03030	0.9
331.04504	11.8
332.05374	1.1
339.35382	0.8
343.04431	4.7
357.05957	2.1
361.05536	28.8
369.05997	0.9
373.05356	2.0
385.05527	6.7
411.06927	4.1
429.08157	8.1
447.09299	6.9
451.08545	1.2
465.10352	24.2
489.10181	1.2
493.09796	1.0
597.14441	8.5
598.14819	1.0
611.16119	1.2
743.20526	1.3
796.49054	0.9
864.05530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.7
65.03947	1.2
67.05172	0.9
67.05508	14.0
69.03426	3.4
69.07079	3.6
70.06582	1.2
71.04998	3.1
71.57866	1.1
73.02908	1.8
78.75185	0.7
79.05053	1.1
79.05497	16.8
81.03423	73.2
81.07061	16.4
83.04980	7.7
83.08137	1.0
83.08627	19.5
85.02910	10.8
85.06534	1.6
91.03962	2.1
91.05489	20.8
93.07055	12.0
95.04977	24.0
95.08615	6.4
97.02924	3.7
97.06535	2.6
97.10158	4.0
99.08073	0.8
103.05480	0.8
105.06383	1.1
105.07041	16.0
107.04963	6.0
107.08595	6.7
109.06533	4.2
109.10174	4.0
111.04457	2.7
111.08092	8.1
113.05979	1.3
115.05476	2.6
117.07022	3.1
119.04967	1.7
119.08582	12.4
121.06490	3.7
121.10137	6.9
123.04454	1.2
123.08070	2.6
123.11726	0.9
125.05984	0.8
125.09624	2.9
125.97817	0.6
127.03893	0.9
127.11179	0.6
129.07010	10.6
131.04942	0.6
131.08568	10.7
133.06499	3.7
133.10130	7.9
135.08084	0.8
135.11737	1.1
137.05951	1.3
137.09637	1.9
142.07787	2.2
143.08623	1.4
145.04898	1.0
145.06519	5.6
145.10136	2.5
147.04413	0.8
147.08043	5.0
147.11696	10.3
149.09634	5.2
157.06474	1.7
157.10135	9.7
159.08076	0.8
161.06032	1.0
161.09651	1.0
163.03894	0.6
163.05988	1.0
163.11198	1.5
165.12784	2.6
167.07086	1.8
169.10101	1.0
171.11638	1.3
173.09532	0.7
175.11195	12.3
178.04994	1.2
181.04962	1.0
183.08115	0.7
183.11617	0.7
189.11241	1.1
189.12794	0.8
193.10434	1.5
193.12256	31.1
194.12697	0.9
195.07996	1.0
195.11688	1.1
199.11227	0.9
205.12230	1.1
208.08809	0.7
211.13295	13.9
219.13737	0.8
229.14354	1.3
231.13789	1.0
233.15401	0.8
235.13293	1.0
237.12773	1.0
239.14322	0.8
249.14908	2.4
255.13866	2.9
267.15933	100.0
268.16293	2.8
273.14804	4.1
285.16998	11.6
301.14169	0.7
309.16992	1.1
339.23212	1.0
341.21198	1.5
349.21597	3.0
357.24142	0.9
367.22705	7.9
385.23767	9.7
403.24631	3.4
405.24234	1.0
415.24506	1.1
421.26190	0.8
433.25882	16.3
441.26324	7.6
459.27444	75.8
460.27881	4.0
477.28525	45.2
477.34579	0.9
478.28705	2.3
483.11508	0.7
495.29395	2.0
501.28299	1.7
519.29419	2.3
567.29248	0.9
573.30383	1.7
585.30646	2.2
603.31616	2.5
621.32837	1.1
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
61.02927	3.6
65.03927	8.4
67.05507	100.0
69.03431	13.4
69.07071	59.1
69.07457	2.4
70.69926	2.6
70.70286	2.8
71.01360	1.9
71.05001	8.4
72.19805	1.1
73.02923	3.0
79.05495	82.5
81.03421	20.2
81.07059	99.9
83.04980	14.9
83.08621	19.7
85.02899	6.6
85.06532	6.5
91.05485	75.7
93.07048	77.0
95.04980	20.8
95.08607	55.2
97.02910	8.5
97.06536	23.6
97.10172	11.3
99.04481	2.9
99.08096	5.3
103.05491	2.8
105.04533	1.7
105.07034	57.7
107.04962	15.8
107.08602	41.6
109.02901	2.8
109.06509	10.6
109.10155	32.6
111.04459	1.6
111.08085	9.8
113.09664	2.7
115.05443	3.7
117.07025	24.3
119.05014	1.4
119.08585	40.5
121.06526	6.8
121.10146	22.9
123.08099	7.3
123.11700	5.5
125.09629	12.0
125.79362	1.4
127.03946	3.5
127.07504	1.6
128.06233	2.5
128.38821	1.4
129.05556	2.8
129.07022	10.3
130.07770	2.7
131.08575	25.4
133.06506	4.4
133.10138	35.8
134.10501	1.2
135.08073	7.8
135.11700	24.3
137.09622	13.6
139.11075	1.3
141.06958	3.4
141.33301	1.2
142.07805	2.8
143.08574	8.2
144.09277	1.3
145.06453	2.3
145.10136	23.0
147.08035	4.7
147.11693	18.8
149.08418	1.5
149.09622	29.3
149.13283	14.6
151.11188	5.3
153.09126	2.1
155.08534	4.6
155.10693	2.1
157.08833	2.0
157.10104	10.0
159.08018	2.4
159.11699	23.5
161.09631	3.7
161.13272	6.4
163.11188	13.5
165.09091	2.0
165.12807	2.8
167.08569	2.2
169.10120	4.8
171.10323	2.2
171.11710	7.2
173.04524	2.6
173.09665	1.8
173.11746	7.6
173.13304	7.7
175.11217	4.4
177.12744	7.8
179.14314	6.7
181.10117	2.2
181.12262	2.2
183.11714	4.1
184.07314	3.0
185.13272	2.2
187.11247	2.2
187.13263	1.5
187.14815	1.7
188.27495	1.3
189.11243	4.3
189.12784	2.1
191.14412	2.1
193.12321	1.3
195.11742	1.9
195.13832	7.2
197.13254	3.4
199.13275	2.7
199.14903	1.9
201.16473	1.4
205.12276	1.8
205.15910	1.2
211.14847	2.2
213.14786	1.6
215.14313	1.8
223.13220	2.3
227.12794	5.5
227.18137	1.7
229.14320	10.0
229.19502	2.5
239.17992	4.2
241.19667	1.4
243.15897	2.2
247.20624	3.6
253.14114	1.6
253.17975	2.4
255.15846	12.6
257.19025	10.8
261.18600	1.4
263.20004	2.5
267.15915	5.2
269.17514	21.8
273.18445	3.8
275.20059	46.8
285.16968	3.3
291.19611	8.2
293.21085	4.3
313.21561	1.7
319.52533	1.2
321.24261	1.4
331.22739	3.0
349.23743	37.7
350.24203	1.6
365.23285	6.1
367.24991	3.3
383.24332	1.5
409.25806	3.6
423.27316	8.2
433.29471	1.7
445.29184	1.4
447.30975	2.6
449.28824	2.0
469.33017	1.6
503.33679	1.7
525.35583	2.1
527.36829	1.6
529.35114	5.2
531.37982	1.7
543.29224	1.9
543.36792	21.5
544.37054	1.7
623.42676	4.8
641.44055	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	870.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.1
65.03934	3.9
67.05504	57.3
69.03429	10.9
69.07066	53.9
71.04984	3.9
71.57105	1.0
77.03927	1.3
77.28571	0.8
79.05490	43.3
81.03416	10.6
81.07055	44.2
83.05000	6.7
83.08615	11.9
85.02888	3.0
85.06532	2.2
91.05477	41.5
93.07040	36.3
95.01317	1.3
95.04968	15.5
95.08604	30.5
97.02884	9.2
97.06535	13.7
97.10171	12.5
98.21188	1.2
99.04440	1.3
99.08115	1.4
103.05474	2.2
105.07030	27.7
107.04953	13.9
107.08597	23.0
109.02853	1.5
109.06514	5.5
109.10155	24.7
111.04460	2.1
111.08080	4.9
115.05421	1.6
117.07018	12.6
119.04967	2.3
119.08581	23.2
121.06490	7.4
121.10145	9.0
123.04401	1.1
123.08080	5.1
123.11716	1.3
125.09627	10.7
127.03902	1.4
128.06192	1.6
129.05530	1.7
129.06979	7.3
130.07797	1.0
131.08560	16.3
133.06485	3.3
133.10123	15.0
134.07317	1.2
135.08070	5.1
135.11662	7.9
135.12431	0.8
137.09616	10.6
139.07593	1.0
141.06940	1.9
142.07814	2.2
143.08569	6.0
144.09227	1.1
145.06499	2.2
145.10114	12.5
147.08049	6.7
147.11670	7.2
149.09630	15.1
149.13277	3.0
151.11200	3.3
155.08557	1.6
155.10666	1.7
157.08893	0.9
157.10059	5.2
159.08046	2.1
159.11674	6.7
161.09648	4.3
161.13277	3.7
163.11191	7.2
165.09116	1.9
165.12834	1.5
167.08463	1.0
169.10127	1.6
169.12308	1.4
171.10223	1.9
171.11719	2.7
173.11751	5.3
173.13222	1.9
175.09743	0.9
175.11237	3.6
177.12747	4.2
179.14320	3.7
183.11739	1.8
187.11154	1.5
187.14841	1.2
189.11217	5.8
189.12709	1.5
193.12257	2.2
195.13881	1.6
197.13300	1.3
205.12172	2.7
211.13290	1.8
223.13280	21.3
227.12749	5.9
227.17880	1.1
229.14380	4.6
229.19501	1.2
239.17972	1.4
245.19003	1.4
247.20555	1.3
249.14864	3.2
253.14362	3.2
257.19043	6.9
263.20114	1.0
267.15887	1.3
273.18512	15.0
275.20062	23.0
283.15372	1.0
291.19534	100.0
292.19595	1.7
293.21106	2.3
321.24274	1.1
347.22083	2.2
349.23734	23.3
365.23215	24.8
409.06366	1.1
421.25620	0.9
461.28891	3.6
519.33032	7.2
543.36786	6.3
559.36584	1.9
621.41156	2.0
639.42639	24.9
640.42456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.1
67.05503	17.4
69.07060	7.7
70.95864	5.3
71.08635	8.6
71.19677	1.9
71.93003	2.8
72.93784	17.8
79.05506	9.8
81.03402	6.4
81.07063	16.0
83.08631	4.2
85.10168	6.1
88.96906	2.8
90.94832	11.9
91.05472	6.4
93.07055	8.0
93.07562	2.1
95.04948	1.9
95.08613	14.4
97.10157	3.5
105.07053	3.6
107.08546	3.1
108.95863	4.6
109.10148	5.9
113.96358	3.7
114.94855	2.1
116.96327	4.3
119.08553	2.6
121.10146	2.0
126.98393	3.4
128.96355	5.4
130.97894	2.5
131.08562	2.0
132.95840	19.7
134.97388	3.6
136.07988	1.6
144.95844	8.0
144.99486	3.0
146.97379	10.0
148.98982	3.0
150.96913	11.4
155.97386	2.1
156.95847	4.7
158.97403	9.7
162.96843	10.1
164.98485	38.2
164.99849	3.8
165.03787	1.8
165.96999	2.1
166.97873	1.9
170.97371	8.7
172.95320	1.6
172.98987	4.1
174.96843	4.0
176.98434	4.7
178.97879	1.8
182.97449	3.2
184.99031	2.7
188.00076	3.6
188.98459	8.0
190.99825	1.9
192.98006	2.4
198.96892	46.1
199.32379	1.6
200.98505	8.0
201.03529	2.3
202.99957	2.9
206.99443	10.0
213.03516	2.8
214.93092	5.6
214.99919	2.0
216.97975	15.4
218.99489	4.5
224.98648	1.8
225.08241	1.6
226.04301	1.8
230.99521	9.8
233.01004	10.1
239.99515	4.7
240.94417	1.6
242.99597	2.7
243.06770	2.2
254.99620	2.2
257.24899	1.9
262.93088	28.3
270.95819	9.6
273.00479	4.1
279.08289	1.8
280.94083	12.3
281.09888	3.2
283.11493	1.9
285.94586	3.8
298.95172	25.7
307.13504	2.8
309.14828	2.2
312.96570	4.4
313.27359	55.5
314.27475	2.0
318.95819	1.8
321.96826	4.4
327.16061	2.0
329.11996	5.5
329.17612	8.3
331.13495	12.4
333.15109	100.0
334.15265	3.2
335.25781	35.2
336.96741	8.4
347.18701	7.6
354.97803	19.5
372.98877	38.3
385.20279	3.5
396.00650	2.3
407.18790	17.5
414.01434	4.0
426.23367	2.3
445.22235	1.8
449.19690	3.7
455.71512	2.5
512.00061	2.0
519.17151	2.3
573.48444	5.5
583.37213	1.8
593.20972	9.4
611.21838	55.0
615.19275	37.7
633.20294	54.7
634.20172	2.8
645.42163	2.2
652.24261	6.0
871.43042	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	870.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.7
65.03938	6.4
67.05506	100.0
68.05825	1.4
69.03433	10.6
69.07069	51.5
70.12967	1.0
70.80542	2.2
71.00488	1.1
71.05013	8.4
71.10610	1.1
71.96843	1.1
73.02888	1.8
75.50617	1.1
78.04671	1.3
79.05495	67.5
81.03425	13.0
81.07059	83.8
82.03611	1.0
83.04986	15.6
83.08188	1.6
83.08623	15.6
85.02932	5.9
85.06562	6.7
91.05481	91.3
92.05788	1.9
93.07048	65.2
95.01360	1.2
95.04966	18.7
95.08610	49.4
97.02891	5.1
97.06533	18.7
97.10173	8.1
99.04428	1.7
99.08091	2.1
103.05460	4.5
105.04514	2.6
105.07034	64.9
107.04947	20.1
107.08596	48.5
109.02877	2.8
109.06523	10.9
109.10160	64.8
111.04432	1.9
111.08067	5.8
113.06017	2.4
113.09647	2.0
115.05442	2.5
116.06148	1.6
117.07025	16.9
119.04997	1.5
119.08585	31.3
121.06497	11.0
121.10141	16.9
123.04402	2.5
123.08060	8.1
123.11731	9.6
125.09624	7.5
127.03940	2.3
127.07584	1.5
128.06219	3.1
129.05484	4.4
129.06993	7.3
130.07791	2.6
131.04855	1.1
131.08568	23.1
133.06519	7.2
133.10133	79.5
134.10483	1.8
135.08063	12.6
135.11685	14.0
137.06056	1.3
137.09625	17.4
139.07564	2.4
139.11165	1.4
141.07034	2.8
143.08568	7.7
145.06525	3.5
145.10118	18.7
147.08043	7.0
147.11696	12.9
149.09630	23.4
149.13289	3.1
151.11192	30.2
155.08511	3.4
155.10638	1.1
157.08804	1.9
157.10124	6.8
159.08057	2.4
159.11694	10.5
161.09641	11.8
161.13293	5.4
163.11169	15.4
165.09108	2.0
165.12749	1.5
167.10626	1.7
169.10144	2.2
169.12271	6.2
169.13495	1.2
171.11716	8.7
173.09546	2.7
173.11763	4.8
173.13254	3.8
175.11226	6.1
175.14813	1.7
177.09142	1.9
177.12732	3.4
179.10686	3.7
179.14319	6.0
183.11737	2.6
185.13272	2.5
187.11165	2.6
189.12726	3.3
193.12260	2.0
195.11794	2.4
195.13829	2.2
197.11610	2.3
197.13249	1.7
199.14853	1.7
201.12671	1.2
203.10736	1.3
203.14331	1.4
205.12242	1.5
211.13242	2.4
213.16418	2.1
215.12799	3.5
223.13245	4.1
227.12842	3.2
227.17943	1.5
229.14285	3.3
229.19525	1.9
239.18045	2.4
245.18988	5.6
247.01143	1.2
247.20580	1.4
249.14738	2.7
253.14348	79.6
254.14670	2.5
255.17503	2.7
257.19009	7.3
263.20108	3.0
271.15363	3.2
273.18515	23.6
275.16953	1.3
275.20081	25.4
281.17419	1.4
283.15442	2.4
291.19534	20.3
293.21072	2.2
301.21619	1.2
313.21329	1.2
347.22321	6.4
349.23737	27.4
365.23245	19.3
383.24496	1.5
407.24509	2.0
431.28033	3.2
441.87787	1.2
461.28860	2.2
467.37390	1.6
489.28412	3.5
519.33032	4.7
527.33905	4.7
543.36182	3.7
545.34912	12.7
621.41229	3.7
639.42609	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	3.1
61.68486	1.6
65.03923	6.1
67.05505	100.0
69.03434	11.3
69.07068	54.7
71.04982	7.4
71.08595	1.7
72.70507	1.5
74.64850	1.4
79.05494	63.2
81.03421	13.6
81.07056	80.6
83.04984	15.0
83.08624	13.5
85.02902	4.5
85.06535	8.4
91.05482	92.1
93.07045	57.3
95.04963	19.8
95.08608	46.2
97.02898	5.1
97.06531	17.3
97.10161	6.9
98.21116	12.4
99.04416	2.1
99.08096	2.8
103.05465	2.6
105.04460	2.9
105.07031	65.5
106.07377	2.4
107.04953	17.3
107.08589	46.3
109.02861	2.2
109.06525	12.8
109.10157	67.5
111.04415	2.3
111.08078	6.6
113.06007	2.0
113.09630	1.9
115.05455	2.3
117.07021	15.8
119.08582	33.2
121.06470	9.2
121.10165	15.6
123.08051	7.0
123.11734	9.3
125.09631	5.8
127.07576	2.7
128.06239	4.2
128.43065	1.7
129.05466	4.2
129.07007	9.7
131.08572	23.4
133.06487	6.8
133.10127	71.3
135.08044	10.0
135.11673	10.0
137.09624	16.2
141.06927	2.4
142.07703	1.9
143.08560	9.4
145.10103	21.2
147.08022	6.4
147.11668	10.2
149.09616	25.9
149.13274	4.1
151.11189	35.5
155.08551	3.4
157.10123	4.5
159.08061	3.5
159.11682	11.2
161.09619	9.2
161.13255	6.6
163.11125	11.3
165.09132	2.0
169.10146	3.0
169.12201	6.7
171.10368	2.3
171.11723	6.7
173.09650	2.3
173.11659	4.8
173.13257	5.4
175.11194	6.6
177.12738	3.4
179.10645	3.7
179.14301	5.1
180.36253	1.5
182.10727	1.6
183.11563	1.8
184.07376	2.0
185.13322	3.2
187.11195	2.9
189.11172	2.7
189.12778	3.2
191.14291	1.6
193.12277	2.0
195.13768	1.9
197.13324	2.4
199.14774	2.1
201.12393	1.6
201.16441	2.1
213.12883	2.4
213.19534	1.6
215.12791	2.2
223.13222	2.6
227.12817	3.9
227.17863	2.6
229.19537	2.5
245.18935	3.3
253.14340	75.4
254.14806	2.5
255.17468	4.1
257.19144	8.2
263.19958	2.0
271.15442	2.8
273.18503	22.6
275.20090	26.6
283.15366	2.2
291.19568	15.3
293.21136	4.8
313.27780	2.5
314.27533	2.2
347.22107	5.7
349.23706	30.2
365.23279	20.2
383.24237	2.7
407.24487	2.7
417.04221	1.8
431.28101	3.2
461.28760	2.0
467.37024	3.2
477.28549	2.9
489.28607	2.8
510.38452	2.9
511.39377	2.8
519.33069	5.9
527.33478	4.4
545.34961	13.4
621.41138	4.4
639.42645	18.0
713.97302	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	870.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83289	0.7
61.02929	16.8
65.03941	2.5
67.05505	49.7
69.03432	12.3
69.07068	12.7
71.01352	2.0
71.04993	7.8
71.11537	1.8
73.02913	11.1
78.04718	0.9
79.05495	47.6
80.06280	1.4
81.03419	100.0
81.07056	48.4
82.04202	4.8
83.04475	1.3
83.04980	33.4
83.08623	37.6
84.02123	1.3
84.05763	1.2
85.02906	43.6
85.06551	2.6
86.03127	0.8
87.04491	1.7
89.24960	0.8
91.03961	10.4
91.05482	54.3
93.07047	32.2
94.04208	1.2
95.04970	47.6
95.08605	20.7
96.05744	1.6
97.02891	15.9
97.06527	12.6
97.10173	20.5
98.07315	7.5
98.21246	1.1
99.04463	2.3
99.08097	3.0
100.05249	0.8
101.06049	1.6
102.95669	0.7
103.05492	1.6
105.07031	36.3
107.04961	17.1
107.08601	19.3
109.02901	2.2
109.06519	8.6
109.09445	1.3
109.10162	14.3
109.10908	1.3
110.07281	1.3
111.04456	5.6
111.08082	22.1
113.06017	3.2
115.03952	1.2
115.05461	3.2
116.04723	13.7
117.05473	1.1
117.06986	8.4
119.04938	0.9
119.08585	28.3
121.06524	4.3
121.10143	14.2
123.04414	1.7
123.08076	10.7
123.11720	3.0
125.06007	1.6
125.09631	21.6
125.10535	1.2
127.03883	4.4
127.11207	2.7
128.06287	0.8
129.05486	34.8
129.06976	15.1
131.04918	1.2
131.08574	21.5
133.06479	4.8
133.10138	20.3
135.04529	1.0
135.08058	4.5
135.11679	5.7
136.08842	1.8
137.09659	4.1
142.07811	3.9
143.07057	7.1
143.10672	1.6
145.04971	4.1
145.06461	1.6
145.10107	9.3
147.08008	5.0
147.11690	20.2
149.09622	11.2
151.07651	0.8
151.11180	1.3
153.05496	0.8
153.09126	2.1
153.12741	4.4
155.08557	1.2
155.10677	1.5
157.08647	17.3
157.10158	22.3
158.05789	1.4
159.08069	0.8
163.06026	4.8
163.07202	0.9
163.11188	11.3
164.11952	0.8
165.12772	5.3
166.11757	0.9
167.07072	4.1
171.06578	4.4
171.10173	5.8
173.09656	2.6
173.11757	5.1
175.11185	23.3
181.04985	2.6
181.12204	4.0
185.08081	1.3
185.11758	2.1
186.06268	0.9
189.11192	9.8
189.12677	0.9
191.10675	3.2
192.11443	0.9
193.12253	81.2
194.12631	1.5
199.09714	2.9
199.13310	20.0
200.14008	2.3
201.14778	0.9
209.11731	13.3
210.12479	1.8
211.13295	98.8
212.13701	2.0
213.11371	0.9
227.12801	16.5
228.13441	0.9
229.14352	5.0
241.14377	0.9
245.13983	0.8
247.13388	4.9
249.14973	1.9
255.15956	4.2
265.14487	1.6
267.15897	29.9
283.15433	14.0
283.18710	1.0
284.16144	2.2
285.16968	68.0
286.17236	1.4
301.16464	70.0
302.16959	1.6
311.18811	0.8
313.69824	0.9
321.17090	1.9
339.18027	3.2
339.21692	1.2
367.21686	1.4
382.27097	1.9
385.23712	1.1
409.25790	6.2
417.15561	0.8
421.25830	1.8
427.26828	9.1
439.26956	25.3
440.27460	0.9
457.25745	1.1
458.26605	1.6
459.27313	4.0
475.26825	4.9
476.27570	3.6
477.28281	5.3
491.97321	0.8
493.27917	21.9
494.28604	8.3
495.28259	0.8
511.29041	75.6
512.29407	3.6
710.18347	0.9
768.37164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02676	0.3
61.02929	3.5
65.03935	0.4
67.05505	14.8
69.03413	1.7
69.06714	0.5
69.07065	5.2
71.04980	1.6
71.08633	5.2
73.02908	1.0
79.05492	5.2
79.82648	0.4
81.03406	1.6
81.07059	14.4
83.04983	3.1
83.08623	2.9
85.02898	4.0
85.06542	1.8
85.10184	2.3
86.03223	0.5
91.03947	2.4
91.05481	12.1
93.07046	5.8
95.04967	1.9
95.08607	5.7
97.02903	2.3
97.06496	1.1
97.10175	0.8
98.21283	2.2
99.04430	1.2
99.08091	0.5
105.07030	10.1
107.08595	10.5
109.02812	0.5
109.06507	2.0
109.10157	23.8
113.05987	1.4
117.06984	0.8
119.08562	1.2
121.10082	0.4
123.08119	0.5
123.11700	4.9
125.09638	0.4
127.03912	1.0
127.07561	1.5
131.08566	0.8
133.10130	29.1
134.10445	0.4
135.11693	0.7
137.13223	0.4
143.08618	0.4
145.04942	1.3
151.11189	15.3
161.09587	1.4
163.06035	1.3
169.12233	2.4
179.10712	1.0
197.11787	0.7
210.50021	0.3
215.12791	0.9
221.63013	0.4
224.73228	0.5
239.23576	0.5
253.14351	100.0
254.14687	1.7
257.24716	0.4
271.15396	20.2
313.27362	20.2
314.27704	0.5
347.13806	0.4
509.38364	31.6
510.38644	0.8
531.61591	0.3
599.46332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
62.11201	0.5
65.03938	2.2
66.55806	0.5
67.01870	0.7
67.05498	1.1
68.99431	0.7
68.99793	9.9
69.81702	1.0
69.82090	1.9
77.03939	1.1
79.05468	1.5
81.03416	4.0
83.04952	1.1
84.23908	0.5
85.02904	1.3
89.03931	2.8
91.05484	0.9
93.03405	1.8
95.04977	3.0
98.21562	0.6
99.04450	1.3
103.05459	1.0
105.03389	1.3
107.04955	6.9
109.02871	3.7
111.00811	8.1
111.04434	9.2
115.05482	1.2
117.03376	1.8
117.07046	0.7
119.04921	1.8
121.02867	2.0
122.82800	0.6
123.04430	64.7
124.04821	1.0
127.03918	100.0
128.04294	1.4
129.07043	0.7
131.04901	3.3
133.06377	0.7
135.04420	64.0
136.04800	0.7
137.02383	3.9
137.05975	1.5
139.03905	44.2
140.04330	0.7
141.06992	1.6
143.04906	2.0
145.02887	0.9
145.06531	1.2
147.04417	7.2
147.05511	0.9
149.02341	7.4
149.05988	2.1
151.03920	13.2
153.01833	1.0
153.05453	0.6
153.06987	0.7
155.04932	1.6
157.06464	1.3
159.04436	4.1
161.02408	1.0
161.06000	5.1
163.03911	63.1
164.04308	1.0
165.01907	0.7
165.05493	4.3
167.03427	6.2
167.04785	1.0
169.04965	3.5
169.06505	3.0
173.05992	5.8
175.03918	2.8
175.07527	0.7
177.05478	7.6
179.03386	9.9
181.04979	2.4
181.06429	1.2
183.04416	2.5
185.06021	2.3
187.03883	9.0
187.05244	0.9
187.07477	1.3
189.05492	3.6
191.03378	12.1
193.04953	2.7
197.05992	5.2
201.05472	8.5
203.03404	12.2
203.07065	3.2
204.03603	0.6
205.04933	3.7
207.02864	1.2
207.06499	0.9
211.03831	0.7
213.05440	3.0
215.03430	3.9
215.06976	3.8
216.04219	0.9
217.04900	3.5
219.06599	0.7
223.02426	2.3
225.05455	2.0
227.03467	1.5
227.07013	1.2
229.04938	13.9
231.02969	1.2
231.06516	2.3
233.04439	4.8
235.02307	0.7
237.05484	1.8
239.03307	0.6
239.06870	0.6
241.04909	3.1
243.02853	1.3
243.04201	0.6
243.06493	6.3
245.04462	71.3
246.04758	0.8
247.06018	50.8
248.06419	1.0
251.05432	0.6
253.04933	3.1
255.06552	2.9
257.04456	15.4
257.08365	0.7
258.05185	1.7
259.06024	10.2
261.07648	2.2
263.05313	1.1
265.04953	1.9
267.06503	1.2
269.04462	4.9
270.05261	0.6
271.06000	26.6
272.06497	0.8
273.03888	0.8
273.07568	1.8
274.04730	3.8
275.05487	22.1
276.05991	0.7
279.06604	0.9
281.04547	2.1
281.08142	0.7
283.05991	11.8
283.09039	0.9
285.04007	1.7
285.07394	0.8
286.04803	0.9
287.05478	19.5
289.07050	29.2
291.08624	11.9
293.04626	0.9
295.05991	2.6
297.03995	2.7
297.07443	1.3
299.05533	6.0
301.07071	10.7
303.05069	1.0
303.08713	1.5
307.06104	1.5
309.03925	1.8
311.05469	2.2
313.07126	2.3
317.07999	1.0
319.05936	1.2
323.05368	2.6
325.07184	0.9
329.06607	0.8
331.08209	1.4
333.07434	0.8
335.05438	0.8
335.09186	0.7
337.07193	1.1
339.04935	0.8
345.07495	1.0
349.07047	0.7
351.05078	2.7
361.07111	1.8
363.08743	0.8
365.06784	2.1
373.06747	0.7
377.06537	1.1
379.08136	4.4
381.10104	0.9
383.07654	2.7
389.06543	3.0
391.08136	2.3
393.06024	4.2
395.07675	1.6
397.09244	6.4
401.06592	1.1
405.05765	4.2
407.07602	21.9
408.08005	0.9
409.09174	24.8
410.09146	0.7
411.10822	3.1
417.06290	1.1
419.07492	4.3
421.09213	2.4
425.08694	10.0
427.10309	10.4
431.07492	1.2
433.09210	2.8
437.08643	8.4
439.10260	1.3
449.08759	2.1
451.10144	4.2
517.11023	3.1
527.09589	4.2
529.11517	0.9
535.11847	1.4
541.11078	1.0
545.10846	6.1
557.10889	1.0
559.12250	1.3
571.12341	1.6
577.13611	1.3
579.15149	4.0
679.14172	1.8
697.15955	2.8
715.16650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.6
67.05493	2.3
68.99793	10.5
69.03422	0.8
70.44305	0.7
71.56026	0.8
77.03934	1.7
79.05482	1.7
81.03407	4.2
83.04990	2.8
85.02902	2.0
89.03902	4.2
91.05472	1.0
93.03421	2.1
95.04980	3.6
96.56189	0.8
98.58633	0.7
99.04450	1.3
103.05503	1.5
105.03387	2.6
106.44244	0.7
107.04968	8.6
109.02914	3.9
111.00815	8.5
111.04453	13.6
115.05499	1.4
117.03394	2.2
117.07010	0.8
119.04950	3.0
121.02880	2.5
123.04432	92.4
124.04803	1.0
127.03920	100.0
128.04239	1.2
129.07057	1.1
131.04968	3.7
135.04420	83.1
136.04790	0.9
137.02325	6.7
137.05974	1.0
139.03905	65.9
140.04311	0.8
141.07005	2.2
143.04948	1.8
144.62234	0.7
145.02870	1.3
145.06505	1.4
147.04419	10.0
149.02361	8.0
149.05991	2.2
151.03915	23.4
153.01834	1.5
153.06998	0.8
155.04901	1.2
157.06511	1.4
159.04439	4.1
161.02307	1.1
161.05943	4.3
163.03911	75.7
163.43695	0.8
164.04359	1.2
165.01825	2.0
165.05527	4.4
167.03371	7.1
169.04965	7.1
169.06468	1.8
171.04443	0.7
173.02448	1.2
173.05972	6.1
175.03896	5.4
177.05463	7.2
178.47612	0.7
179.03404	10.3
181.04996	1.8
181.06465	1.0
183.04424	2.2
185.05991	2.5
187.03871	8.9
189.01920	1.1
189.05469	5.9
191.03409	13.6
191.07033	1.0
193.04912	3.5
197.06013	5.2
199.03876	0.9
201.05472	11.4
203.03413	16.2
203.07079	3.1
205.04892	4.1
207.06654	0.8
209.06171	0.9
211.03917	1.0
211.07468	0.7
213.05464	4.5
215.03433	4.8
215.07019	4.4
217.04967	4.5
219.06563	2.2
221.04300	0.9
223.02405	3.3
225.05473	3.2
227.03456	1.8
229.04942	14.6
231.02858	1.7
231.06531	2.7
233.04387	5.7
233.57745	0.8
235.02370	1.5
237.05376	1.4
239.06993	1.5
241.05005	4.5
243.06534	6.1
245.04468	70.0
246.04837	1.8
247.06029	49.2
248.06252	1.0
253.04950	3.7
255.06499	3.4
257.04459	21.7
258.05054	2.5
259.02185	0.8
259.03165	1.0
259.05972	11.7
261.07620	4.5
263.05450	1.4
265.05038	1.7
267.06540	1.8
269.04474	6.2
269.07010	0.8
270.05087	1.5
271.06009	37.5
272.06302	1.1
273.03882	1.0
273.07562	2.0
274.04791	1.7
275.05496	16.8
277.03287	1.1
279.06937	0.9
281.04425	2.9
283.06039	13.1
285.04205	1.5
285.07611	2.5
287.05496	22.9
289.07062	36.8
291.08667	14.2
293.04492	1.2
295.06030	4.7
297.04108	1.7
297.07410	1.1
299.05496	8.2
301.07056	16.7
303.01624	1.2
303.05133	1.8
303.08673	2.5
307.06125	1.5
309.03955	2.2
311.05634	4.0
313.06888	4.3
315.04947	0.8
317.06863	0.9
321.07504	1.3
323.05661	3.5
327.04813	0.9
329.06726	2.0
331.08188	4.6
335.05487	1.4
341.06573	1.0
345.07541	1.3
349.06934	1.8
351.04959	2.3
359.07544	1.5
361.07108	2.9
365.06604	2.2
367.08301	1.1
373.07294	1.1
375.08759	1.2
377.06497	2.6
379.08130	7.4
381.10001	1.1
383.07620	2.0
389.06601	3.2
391.08221	4.1
393.05835	5.2
395.07663	1.4
397.09384	4.1
403.07904	1.1
405.05988	4.5
407.07611	21.5
409.09216	35.0
410.09698	1.0
411.10696	5.3
415.08533	0.8
419.07507	6.1
421.09311	5.2
423.10785	1.0
425.08633	11.7
427.10229	14.5
431.07620	1.2
433.09210	5.2
435.45200	0.8
437.08612	8.6
439.10236	2.4
449.08820	3.6
451.10269	8.2
469.10840	1.1
517.11310	1.7
527.09619	4.1
529.11102	1.6
535.12006	1.2
541.11292	1.8
545.10876	6.3
553.11298	2.0
557.10431	2.2
559.12378	2.5
571.12524	5.0
577.13220	2.2
579.14838	4.4
589.13129	2.5
621.16089	1.2
679.14465	1.6
697.15302	3.7
822.51685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	14.1
67.05505	19.0
69.07047	9.1
71.08624	20.2
73.02941	2.7
74.09708	9.0
79.05499	8.3
81.03420	54.3
81.07060	19.2
83.04981	2.6
83.08617	16.2
85.02914	14.9
85.10176	9.1
91.03970	12.4
91.05460	10.5
93.07058	6.9
95.04961	18.6
95.08619	19.6
95.09198	3.6
97.02891	8.8
97.10209	4.6
98.11000	2.5
98.21128	16.5
98.21647	4.5
99.04404	2.8
105.07026	11.8
107.08603	5.1
109.10156	7.5
111.08102	3.8
119.08585	4.3
121.10166	6.4
123.11748	3.5
127.03857	3.1
129.06963	6.2
131.04942	2.8
131.08569	6.2
133.10172	3.6
139.13933	2.5
140.17545	2.7
145.04961	3.1
147.11690	6.5
149.09532	3.8
157.10126	9.2
163.06082	5.8
175.11259	6.1
193.12263	21.4
194.54414	2.6
252.80579	2.8
267.15924	81.9
277.13428	2.4
296.12518	2.6
309.17261	2.9
313.27374	100.0
313.49084	3.0
505.38928	68.7
506.38846	3.0
547.40179	4.9
622.79401	2.8
648.40570	2.7
839.99774	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	866.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.4
65.03916	1.1
67.05505	33.4
69.03397	1.0
69.07070	13.4
69.57120	1.9
69.57561	1.6
71.04989	3.1
71.08633	14.9
72.41924	0.4
73.02924	2.2
79.05493	14.9
81.03401	1.2
81.07058	43.9
83.04987	3.3
83.08617	12.1
85.02429	0.5
85.02910	8.7
85.06549	2.3
85.09708	0.7
85.10178	9.7
89.06023	0.6
91.03942	4.7
91.05474	6.7
92.72842	0.5
93.07049	27.5
95.04934	2.1
95.08608	19.9
97.02887	4.1
97.06002	0.5
97.06532	5.9
97.10180	4.5
98.21163	1.5
99.04414	1.3
99.08059	1.8
99.11679	0.9
103.07544	0.5
105.07019	2.9
107.08596	14.2
109.06496	1.1
109.10159	5.9
111.08096	4.0
111.11697	1.7
113.09596	0.7
115.03868	0.6
117.07018	3.8
119.08543	1.0
120.39957	0.4
121.06539	0.8
121.10152	9.3
123.11684	2.6
125.09626	1.1
127.03875	1.5
131.08578	4.0
133.10170	3.1
135.08026	0.7
135.11697	4.5
137.13257	1.1
139.11125	1.4
145.04903	1.5
147.11650	0.9
149.13263	18.0
159.11702	6.4
161.14989	0.5
163.05995	1.4
165.16377	0.5
167.14287	0.8
177.12784	3.6
195.13800	6.9
213.14838	0.8
239.23613	1.5
257.24799	1.2
269.17480	90.3
270.17813	1.9
313.27368	54.1
314.27710	1.5
330.02432	0.5
507.40451	100.0
508.40942	3.7
601.11432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	0.4
61.02931	3.5
63.96128	0.3
65.03963	0.3
67.05505	4.6
69.03423	2.3
69.07076	2.3
69.35574	1.9
69.35978	0.6
71.01370	0.6
71.04990	0.5
73.02919	2.4
79.05499	3.8
81.03413	1.8
81.07061	5.1
83.04973	0.5
83.08633	0.6
85.02904	3.7
86.09710	1.9
87.10058	0.3
91.03966	1.7
91.05474	3.7
91.05938	0.4
91.60902	0.3
93.07050	3.9
94.07359	0.3
95.04980	1.5
95.08607	2.0
97.02902	3.0
97.06540	0.6
97.10182	0.5
98.21233	1.3
98.98533	0.4
99.04483	0.7
100.62501	0.3
101.02382	1.4
105.07029	2.4
107.08590	2.0
109.02899	0.6
109.06544	0.5
109.10175	0.6
111.08157	0.3
115.03896	0.4
115.05402	0.4
117.07028	1.0
119.08583	1.4
121.06525	0.3
121.10152	1.1
123.11720	0.4
125.00011	1.2
125.27561	0.3
127.03943	1.3
129.07069	0.6
131.08600	1.3
133.10167	1.3
135.11725	1.3
137.09644	0.4
145.10158	1.2
147.11731	0.7
149.09660	0.4
149.13313	0.4
157.10194	0.3
159.11659	0.4
160.46999	0.3
166.54303	0.3
171.11752	0.4
184.07344	5.1
185.07718	0.4
203.05327	0.4
243.08440	2.5
290.59573	0.3
313.09241	0.4
333.20367	3.2
389.22968	0.6
439.19363	2.3
453.20728	1.8
469.20520	1.0
551.28271	9.9
552.28979	0.5
749.41187	0.4
763.42462	1.0
861.49628	100.0
862.49921	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	861.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08178	0.7
61.02922	2.9
65.03957	0.5
67.05506	5.4
69.03441	2.1
69.07073	2.3
71.01365	0.5
71.04977	0.9
71.07355	0.5
72.18427	0.3
73.02924	3.2
79.05502	4.8
81.03426	1.5
81.07059	6.2
83.04974	0.8
83.08638	0.9
85.02906	4.0
86.09707	3.2
91.03965	2.3
91.05482	3.4
93.07056	4.2
95.04962	1.8
95.08607	2.6
97.02905	2.9
97.06548	0.8
98.21353	1.6
99.04450	0.9
100.87373	0.3
101.02377	1.0
105.07038	2.2
107.04935	0.6
107.07968	0.4
107.08595	2.3
109.02898	0.5
109.06570	0.6
109.10191	0.5
117.06995	0.7
119.08593	1.9
121.06558	0.5
121.10171	1.3
123.08093	0.5
125.00027	2.1
127.03948	1.0
128.06218	0.4
129.07086	0.4
131.08617	1.3
133.10184	1.3
135.11736	1.3
145.10147	0.9
147.11703	0.9
149.09677	0.7
149.13287	0.4
159.11787	0.8
163.11191	0.4
184.07346	9.7
185.04358	0.6
185.07677	0.8
203.05389	0.5
243.08444	3.3
333.20367	2.6
366.18231	0.4
389.22937	0.5
439.19397	2.3
453.21045	3.0
469.20410	0.7
551.28284	10.7
552.28564	0.8
763.42310	1.4
843.54437	0.4
861.49652	100.0
862.50122	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	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.2
65.03950	0.6
67.05154	0.6
67.05498	4.7
69.03436	2.6
69.07063	2.0
69.73873	1.2
69.74265	0.9
69.86080	0.4
71.01357	0.7
71.04990	0.9
71.72053	0.4
73.02915	2.9
79.05493	4.5
81.03408	1.8
81.07052	5.9
83.04980	1.2
83.08610	1.2
85.02907	3.6
86.09699	2.6
91.03956	1.8
91.05482	3.6
93.07047	3.9
95.04980	1.6
95.08617	2.4
97.02882	4.3
97.06543	1.1
98.21090	1.3
99.04492	0.8
101.02399	1.3
105.07028	2.2
107.04972	0.5
107.08603	1.9
109.02879	0.6
109.06509	0.5
109.10198	1.1
111.40515	0.4
117.07025	1.4
119.08606	1.6
121.10137	1.4
125.00028	1.4
127.03936	0.7
131.08585	0.9
133.10184	1.2
135.08078	0.5
135.11696	0.9
136.06183	0.6
145.05028	0.4
145.10196	1.0
147.11716	0.6
157.10162	0.5
167.69228	0.4
184.07335	9.0
185.04314	0.5
185.07713	1.1
202.11121	0.4
243.08440	3.0
303.19363	0.7
314.46826	0.4
333.20453	3.4
389.23050	1.2
439.19421	2.5
451.36948	0.4
453.21234	1.4
469.20456	0.7
544.30652	0.4
551.28241	11.5
551.36157	0.7
552.28735	0.5
721.07635	0.4
861.49615	100.0
862.49902	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	859.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.5
65.03935	0.3
67.05509	4.5
69.03101	0.4
69.03432	3.0
69.07075	2.6
71.01355	0.4
71.05008	0.6
71.57780	0.4
73.02920	2.6
73.08862	0.3
79.05502	3.6
81.03426	2.2
81.07062	4.9
83.04980	1.0
83.08633	0.9
85.02914	3.9
85.06553	0.3
86.09704	0.5
91.03955	2.1
91.05489	4.3
93.07059	3.4
95.04956	1.5
95.08613	2.9
97.02902	3.2
97.06548	0.7
99.04447	0.5
101.02392	1.2
105.07040	3.9
107.04980	0.8
107.08588	2.3
109.02914	0.8
109.06538	1.1
109.10178	1.3
111.08035	0.4
115.03951	0.3
117.07029	1.1
119.08599	1.9
121.06519	0.3
121.10153	0.7
123.08073	0.5
124.99986	0.3
125.06044	0.4
127.03940	1.1
129.07002	0.4
131.08603	1.1
133.06531	0.4
133.10143	2.2
135.08095	0.5
135.11720	0.9
143.08571	0.5
145.10112	0.6
147.11746	1.0
149.09685	0.5
149.13284	0.7
151.11186	0.6
157.10226	0.6
159.11748	0.7
161.09637	0.4
184.07367	1.8
185.04311	0.5
193.12315	1.2
203.05324	0.7
212.43625	0.3
242.30002	0.4
243.08403	2.4
301.09064	0.6
313.17905	0.5
315.10629	0.5
331.18790	1.9
333.20444	1.3
439.19061	0.5
451.19336	0.7
453.21323	1.0
469.20477	0.4
531.25555	1.7
549.26721	3.3
551.28308	7.4
623.30573	1.0
679.37042	0.4
712.48401	0.3
761.40753	2.9
790.39758	0.5
841.34467	0.2
841.47028	9.4
859.47974	100.0
860.48431	6.6
860.65039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4812
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02925	3.5
65.03947	0.6
67.05508	6.9
69.03430	4.2
69.07072	2.8
71.04976	1.0
71.57003	0.8
71.71771	0.4
73.02927	3.2
78.35201	0.4
79.05492	5.9
81.03410	2.0
81.07054	6.9
83.04980	1.4
83.08610	1.0
85.02911	5.4
86.09713	0.5
91.03955	2.2
91.05481	5.4
93.07035	5.0
95.04978	2.0
95.08605	3.8
97.02899	4.5
97.06531	1.4
99.04450	0.5
101.02380	1.3
105.07026	4.1
107.04964	0.9
107.08624	3.0
109.02865	0.7
109.06522	1.0
109.10154	1.7
111.04472	0.5
117.07029	1.6
117.65069	0.5
119.08567	2.2
121.06559	0.7
121.10159	2.1
123.08088	0.5
125.00063	0.5
127.03918	0.7
129.05524	0.9
129.07014	1.0
131.08530	2.2
133.10103	2.6
135.08076	0.5
135.11746	1.2
143.08534	0.7
145.05037	0.5
145.10153	1.4
147.11729	1.3
149.09633	0.8
157.10127	1.0
159.11684	0.6
160.74721	0.5
161.09494	0.7
170.56549	0.5
172.80380	0.4
184.07408	1.9
193.12315	0.7
243.08412	3.4
273.18536	0.6
301.08884	0.9
301.17493	0.5
331.18881	1.8
333.20499	2.2
357.15567	0.5
437.17731	0.7
439.19443	1.1
451.19577	1.6
453.20728	0.5
531.25482	2.3
549.26361	3.4
551.28314	9.6
551.36108	0.4
552.29572	0.5
601.45282	0.6
623.31140	0.9
761.40875	3.1
841.47144	9.9
842.47455	0.7
859.48077	100.0
860.48517	6.4
887.86395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.7
65.03951	0.5
67.05505	5.0
69.03426	3.3
69.07078	2.4
69.40257	3.2
71.05000	0.6
73.02924	2.7
79.05492	4.4
81.03429	1.7
81.07061	5.1
83.04993	1.1
83.08620	0.6
85.02908	3.2
85.06559	0.5
86.09695	0.6
91.03948	2.1
91.05483	4.8
93.07050	4.9
95.04977	1.9
95.08622	2.1
97.02917	2.5
97.06535	0.7
97.10163	0.5
99.04444	0.5
101.02404	1.4
105.07037	3.1
106.07368	0.4
107.04994	1.0
107.08594	2.7
109.02879	0.7
109.06555	0.6
109.10159	1.9
115.05508	0.5
117.06996	0.5
119.08598	2.0
120.58797	0.5
121.06582	0.5
121.10160	0.9
125.00042	0.6
127.03957	0.8
131.08589	1.4
133.10117	1.9
135.11722	1.4
145.10204	0.7
147.11725	0.5
149.09654	0.6
151.18219	0.4
157.10172	0.4
161.13393	0.4
163.11243	0.4
177.12758	0.4
184.07391	3.7
185.04236	0.6
203.05338	0.5
223.13332	0.8
243.08429	3.5
265.39490	0.4
313.08835	0.4
331.18936	1.2
333.20578	1.1
387.21292	0.7
439.19290	0.9
453.21072	0.6
532.26855	0.4
549.26794	6.0
550.27386	0.7
551.28253	5.3
761.39630	0.6
859.48114	100.0
860.48895	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	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02927	3.1
63.59688	0.4
65.03931	0.5
67.05510	5.4
69.03423	2.7
69.07067	3.8
71.01371	0.7
71.04987	0.9
71.24641	0.5
71.24993	0.7
73.02924	2.8
79.05492	4.9
81.03423	2.4
81.07062	5.2
83.05012	0.6
83.08629	1.6
85.02904	3.1
86.09729	0.5
91.03966	1.7
91.04533	0.3
91.05501	3.8
93.07043	4.1
95.04977	1.9
95.08612	3.3
97.02901	3.6
97.06537	0.8
97.10170	1.9
99.04492	0.8
101.02382	1.3
105.07037	2.6
107.04990	1.2
107.08605	2.9
109.02898	0.9
109.06556	0.7
109.10166	1.6
111.08109	0.4
116.41059	0.4
117.07053	0.9
119.08613	1.5
121.06547	0.4
121.10175	0.9
123.08124	0.5
125.00017	0.6
125.09645	1.0
127.03922	0.8
131.08560	0.9
133.10182	0.8
135.08075	0.5
135.11699	0.8
137.09665	0.5
143.49203	0.5
145.10110	1.0
147.11719	1.0
149.09723	0.5
149.13286	0.7
151.11238	0.5
159.11760	0.6
184.07449	1.6
185.04318	0.5
189.11078	0.6
223.13387	1.2
243.08372	3.7
245.51170	0.4
247.01131	0.4
257.19357	0.5
257.22690	0.4
269.17584	0.7
269.57980	0.4
291.19659	1.3
301.08890	0.5
331.19009	1.2
333.20428	1.8
360.71143	0.4
439.19189	0.4
453.20981	0.7
487.29330	0.5
507.80750	0.5
531.25708	0.5
545.37500	0.5
549.26624	5.1
551.28314	6.2
708.81763	0.5
717.44446	0.5
761.41699	0.5
841.47003	1.6
859.48083	100.0
860.48212	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	859.481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.3
65.03951	0.3
67.05506	5.0
69.03431	2.4
69.07071	2.6
71.01356	0.6
71.04984	0.6
71.57632	0.4
73.02921	2.9
79.05489	4.7
81.03417	2.3
81.07063	6.4
83.04984	1.4
83.08619	1.0
85.02897	3.5
86.09711	0.9
87.04509	0.5
88.85633	0.3
91.03943	1.9
91.05478	3.7
93.07041	4.1
95.04985	1.2
95.08612	3.0
97.02901	3.5
97.06545	1.0
97.10176	1.0
98.21198	0.5
99.04462	0.6
99.08121	0.4
101.02398	1.3
105.07024	2.9
107.04977	0.6
107.08601	2.4
109.02893	0.8
109.06535	0.7
109.10163	1.5
117.07027	0.7
119.08608	1.5
121.10134	0.9
123.08070	0.5
125.00013	1.0
125.09679	0.5
127.03922	0.5
129.07066	0.4
131.08591	1.0
133.10144	2.4
135.11723	0.8
145.10133	0.6
147.11690	0.5
149.13260	0.7
163.11208	0.3
184.07333	2.5
185.04257	0.7
223.13350	0.6
243.08368	3.2
259.07843	0.5
269.17743	0.4
270.81027	0.4
279.43707	0.3
291.19577	0.8
331.18948	1.4
333.20529	1.2
387.21658	0.7
389.23218	0.4
439.19574	1.0
453.21033	0.9
469.20810	0.5
549.26752	5.6
551.28259	5.3
611.74811	0.4
723.04407	0.5
736.14435	0.4
859.48071	100.0
860.48291	7.6
885.29407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.25
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.4
69.03430	16.5
69.90842	4.1
70.06590	3.3
71.01353	2.2
71.04996	17.1
73.02920	20.5
75.04482	2.6
81.03415	2.5
83.04983	20.0
85.02905	40.6
87.04491	1.6
91.05473	1.1
95.04982	2.8
97.02887	26.0
98.21009	2.7
99.04463	2.7
100.98976	0.9
103.03955	1.2
109.02887	1.3
111.04441	15.3
113.06008	1.8
115.03926	11.7
117.05408	1.1
118.92611	0.8
121.02826	0.9
123.04453	1.7
127.03965	1.9
128.51904	0.8
129.05486	13.3
133.04955	0.9
135.04439	2.0
137.02347	7.1
139.03918	2.0
147.06534	4.5
149.05939	0.8
153.01822	3.4
153.05457	1.3
157.05032	1.4
163.03914	2.0
163.06075	2.2
165.01897	1.0
169.05049	1.7
171.06508	2.0
177.05472	1.0
179.07150	1.1
183.06569	1.4
195.02870	0.8
199.05989	1.2
201.05498	1.7
225.07576	12.3
229.04985	3.7
239.08981	2.1
243.08614	5.2
257.04501	2.9
257.10168	1.4
261.09604	2.1
279.10800	6.2
285.03882	0.9
299.05447	2.0
303.04993	100.0
304.05292	1.2
315.04996	8.9
316.05753	2.3
327.05099	4.1
341.06601	2.2
345.06052	22.8
346.05884	0.9
353.06656	1.6
357.06519	1.0
367.07971	1.5
369.05994	7.2
395.07578	4.9
413.08664	11.9
431.09543	7.1
449.10797	19.8
450.11118	1.0
473.10669	1.7
491.11832	0.9
581.14862	8.8
595.16290	0.9
727.21039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.3
63.96313	0.8
65.03935	3.7
67.05505	100.0
68.05821	1.0
69.03423	3.7
69.06725	1.1
69.07069	16.3
69.78683	4.0
71.04989	4.1
71.08617	1.3
73.02901	2.6
79.05496	45.5
79.05963	2.2
80.81580	0.9
81.03419	8.5
81.07059	61.8
83.04979	5.7
83.08620	15.0
84.59669	0.9
85.02428	1.2
85.02898	11.8
85.06548	3.4
87.04451	4.5
91.05485	26.6
93.07046	43.6
95.04971	7.1
95.08608	41.6
97.02890	3.9
97.06511	3.9
97.10165	14.3
99.08086	1.7
103.03942	1.1
105.04483	1.2
105.07029	14.2
107.04945	2.5
107.08590	25.9
109.06505	3.3
109.10157	55.2
111.08078	4.3
111.11688	1.6
117.07008	8.0
119.08581	15.4
121.06453	1.2
121.10140	19.1
123.08063	1.5
123.11726	5.1
125.09624	12.9
129.05469	2.6
129.06987	1.0
131.08566	10.2
133.10118	9.3
135.08076	1.5
135.11685	13.9
137.09595	3.1
137.13271	1.7
139.11186	1.3
143.08548	1.9
143.10677	3.0
145.10121	8.9
147.11671	5.4
149.09592	2.1
149.13280	7.2
151.11102	1.1
153.12700	2.5
154.39804	1.1
155.10667	4.0
157.10124	1.5
159.11696	6.2
161.13254	4.1
163.11224	6.2
163.14832	3.7
171.11670	1.4
173.09644	1.6
173.11739	14.4
173.13252	3.3
175.14856	1.2
177.16342	1.5
181.12216	2.0
183.11679	1.3
187.14792	1.6
189.11288	1.3
191.10696	1.9
191.14122	0.9
199.13342	5.9
201.16391	1.2
209.11732	5.1
215.14322	1.0
217.14345	1.4
227.12703	5.9
229.14359	42.4
230.14699	1.5
243.21034	4.8
257.13803	1.7
261.22162	14.7
267.15903	2.9
283.15482	2.1
299.23895	1.0
300.13904	1.0
301.16550	10.0
317.24615	2.6
335.25800	86.0
336.26251	2.2
341.30490	1.7
399.23743	12.4
459.34500	1.4
477.35620	6.1
489.35831	19.2
493.76724	1.1
496.40536	1.9
497.41269	2.0
561.37939	5.9
579.38611	3.4
659.45203	20.3
660.45276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.6
65.03932	5.3
67.05506	86.5
67.05872	4.4
69.03432	12.6
69.06714	3.3
69.07068	41.2
71.04984	5.5
71.46127	3.5
79.05492	95.3
81.03426	14.7
81.07057	88.5
83.04984	13.1
83.08621	31.4
85.02910	6.0
85.06549	7.0
86.09715	2.8
91.05484	68.3
93.07047	68.9
95.04971	16.6
95.08606	37.5
97.02910	4.8
97.06541	23.6
97.09544	2.4
97.10172	45.8
99.04454	2.1
99.08118	2.7
103.05437	2.0
105.07037	63.6
107.04967	13.6
107.08595	79.7
109.02882	3.4
109.06523	9.2
109.10150	24.5
111.04447	3.2
111.08097	7.9
115.05466	3.0
116.06178	2.8
117.07008	21.3
119.08575	44.9
121.06511	7.3
121.10143	20.5
123.08089	5.4
123.11703	8.7
125.09640	39.8
127.03921	6.3
129.07004	9.4
131.08566	32.9
133.10136	45.5
133.11082	3.7
135.08051	12.5
135.11714	18.2
137.09619	2.9
141.06908	4.5
143.08563	9.0
143.10672	2.6
143.53673	2.3
145.10130	33.4
145.11154	3.5
147.08081	2.3
147.11693	19.5
149.09637	23.8
149.13235	13.9
151.11183	4.3
153.09140	3.4
154.07857	2.4
155.08595	5.6
157.10103	9.9
159.08014	2.7
159.11688	24.6
161.09636	3.2
161.13281	8.8
163.11186	12.0
169.10103	5.7
171.10226	3.6
171.11697	8.1
173.13306	7.8
175.11188	2.5
177.12718	4.5
179.14360	3.6
181.10132	3.1
183.11737	6.0
183.18205	1.7
184.07385	9.7
185.13345	2.9
187.11179	3.5
189.11229	27.7
189.12814	2.4
195.13847	5.1
197.13249	4.7
227.12782	64.0
229.14276	4.6
229.19406	2.6
235.49950	2.4
239.17960	6.2
243.15778	1.9
245.13777	6.2
247.20563	3.8
255.15822	13.5
257.19025	17.3
259.20639	2.1
267.15762	2.1
269.17453	35.1
275.20068	76.0
293.21066	5.8
331.22791	6.9
349.23715	69.0
350.24020	2.9
367.24887	6.6
413.21542	2.3
433.31323	2.5
439.27188	11.8
447.30637	3.0
499.34561	2.4
503.33636	2.9
511.34171	2.7
519.33368	10.1
520.32782	2.5
525.35327	6.6
529.35352	18.4
543.36786	100.0
544.36951	6.2
565.30280	3.8
583.30811	3.5
583.39490	2.9
623.42981	19.2
641.43890	8.6
687.40784	2.9
857.47180	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	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	2.4
65.03928	5.2
67.05507	82.9
69.03439	9.0
69.06721	2.9
69.07069	38.8
69.80990	7.1
71.04984	4.4
76.97099	1.3
77.03915	2.0
79.05492	71.3
81.03420	17.9
81.07059	100.0
83.04984	15.0
83.08619	18.0
85.02895	6.2
85.06535	6.2
91.05483	59.1
91.05966	1.0
91.06070	1.9
93.07043	70.4
95.04981	17.4
95.08607	38.8
97.02887	6.1
97.06533	23.4
97.10159	9.0
99.04448	2.4
99.08083	5.5
105.04491	1.6
105.07030	49.4
107.04951	11.4
107.08595	46.8
109.02869	3.0
109.06537	10.4
109.10160	16.1
111.08086	9.1
113.06013	1.5
115.05478	2.3
116.06230	2.4
117.07025	21.5
119.08590	34.8
121.06500	6.0
121.10156	20.8
123.08044	6.3
123.11680	6.1
125.09612	6.7
126.44175	1.4
127.03891	3.0
128.06232	3.3
129.05498	2.0
129.07004	9.0
130.07822	2.2
131.08572	28.4
133.06479	2.6
133.10138	28.1
135.08041	6.3
135.11700	21.5
137.09634	3.8
141.07013	2.6
143.08582	7.6
145.06454	2.0
145.10130	19.8
147.08026	1.9
147.11703	15.1
149.09631	17.1
149.13271	17.4
151.07603	1.4
151.11148	4.5
155.08521	5.5
157.10120	7.3
159.08089	2.8
159.11693	19.2
161.09563	2.9
161.13264	5.1
163.11142	13.4
165.12669	2.0
166.19662	1.4
169.10173	3.4
171.11716	4.8
173.04460	2.1
173.13229	7.9
175.11162	3.3
177.12743	5.7
179.14314	3.5
181.12270	3.0
183.11745	5.5
184.07370	1.9
185.13283	3.8
187.11273	3.0
187.14848	2.0
189.11174	4.0
189.12781	2.6
195.13808	11.2
197.13272	3.4
199.14865	1.7
205.12100	1.9
227.12776	3.9
229.19574	4.1
239.17908	3.7
247.20453	4.3
253.14415	2.2
255.15970	16.8
257.19046	11.0
267.15939	3.4
269.17471	45.6
274.11456	1.5
275.20053	41.2
276.20462	1.8
291.19611	2.0
293.20828	3.3
321.23749	1.5
331.22723	3.3
349.23730	39.4
350.23865	1.9
353.24716	1.8
367.24814	6.9
371.95486	1.7
413.21860	1.6
431.27829	1.7
433.30856	2.6
435.27151	1.8
445.29813	2.0
449.29001	30.7
451.32062	2.3
463.30603	39.4
464.31152	1.6
469.32944	2.2
515.37122	1.8
525.35510	4.9
529.35236	9.0
543.36798	38.2
544.48517	1.6
547.36353	2.3
561.37738	5.7
607.34717	2.2
623.42651	2.3
641.43121	4.7
687.40698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.8
67.05507	78.8
69.03431	8.4
69.06718	1.7
69.07070	28.9
69.76198	5.5
71.01322	1.4
71.05000	7.0
71.14479	0.9
73.02917	1.5
74.83105	0.9
79.05495	61.1
79.30095	0.9
81.03427	13.1
81.07060	91.4
82.07397	1.5
83.04986	15.9
83.08614	11.8
85.02901	3.8
85.06544	6.9
87.04429	1.3
91.05486	77.3
92.05802	1.2
93.07048	61.7
95.04420	1.7
95.04974	16.4
95.08611	30.3
97.02883	3.4
97.06540	13.8
97.10168	5.1
98.21270	2.8
99.04455	4.1
99.08089	3.0
103.05467	2.5
105.04541	1.5
105.07034	64.5
106.07381	1.7
107.04963	13.0
107.08598	45.0
109.02874	1.5
109.06537	10.3
109.10163	51.2
111.04468	1.5
111.08073	6.1
113.05956	1.6
113.09651	1.0
115.05414	2.1
116.06204	1.2
117.07014	14.8
119.08585	28.2
121.06513	10.0
121.10163	14.8
123.04464	1.5
123.08050	6.8
123.11716	9.5
125.09631	3.2
127.07565	3.0
128.06203	3.1
129.07027	7.1
130.08727	1.5
131.08583	21.2
133.06479	5.1
133.10136	75.9
134.10469	1.8
135.08047	9.6
135.11691	14.5
137.05988	1.1
137.09599	4.3
139.07445	1.3
141.07036	2.6
142.07790	1.9
143.08537	8.1
145.06520	2.4
145.10135	15.6
147.08060	5.8
147.11705	10.1
149.09641	15.5
149.13237	7.1
151.11186	33.1
152.11525	1.2
153.06767	0.9
155.08533	2.6
157.10109	5.8
159.08070	2.3
159.11678	11.0
161.05911	1.0
161.09637	7.3
161.13217	5.0
163.07654	1.1
163.11159	5.9
169.10156	2.2
169.12271	5.6
171.11691	3.7
173.04469	1.3
173.13271	3.3
175.11203	4.7
177.09096	1.9
177.12741	3.9
179.10654	1.2
179.14325	2.6
181.10178	1.8
181.12143	1.6
183.11705	2.4
185.13332	1.2
187.11127	1.7
189.12784	1.3
195.13843	3.4
197.13306	1.2
199.14812	1.3
205.15971	1.2
207.13814	2.0
215.12758	3.5
227.12709	1.4
227.17970	2.2
239.18016	1.5
245.18944	3.5
247.20656	1.8
251.12820	2.3
253.14369	100.0
254.44833	1.1
255.15706	5.3
257.18967	4.1
263.20114	4.0
269.17490	18.8
271.15430	3.2
273.18506	26.4
275.20038	20.2
291.16437	2.1
291.19547	25.7
292.19870	3.6
293.20663	2.2
309.20529	3.4
331.22717	1.8
347.22089	9.3
349.23779	13.0
365.23273	28.1
366.23709	1.8
367.24554	3.7
391.24924	1.0
413.21701	1.1
447.27341	4.2
451.27039	2.9
465.28467	12.9
467.06702	1.1
527.33765	2.5
541.35126	6.9
545.34845	16.3
559.36304	38.4
560.36188	2.2
639.42657	7.5
657.42786	5.1
794.55341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.1
65.03646	0.8
65.03943	5.4
67.05507	87.4
69.03430	12.0
69.07070	44.6
69.72944	4.3
69.73357	2.1
71.01342	1.6
71.05002	7.2
71.08643	1.5
73.02911	3.0
79.05495	71.7
81.03418	18.7
81.07059	100.0
83.04985	17.6
83.08618	18.5
85.02898	7.2
85.06556	5.4
86.09712	3.9
91.05486	64.5
92.05787	1.3
93.07048	72.0
95.04971	16.6
95.08608	45.8
95.09228	1.6
95.92167	1.0
96.08920	1.1
97.02902	5.1
97.06527	21.3
97.10175	12.6
98.21147	2.9
99.04461	2.3
99.08090	3.8
103.05475	2.3
105.04522	1.4
105.07034	58.1
105.30381	1.0
105.33037	1.0
107.04963	13.9
107.08599	51.6
108.08959	1.2
109.02892	3.2
109.06512	11.0
109.10161	20.5
111.04480	2.2
111.08091	6.9
113.09655	2.4
115.05481	4.1
116.06250	2.0
117.07018	26.4
119.04959	1.5
119.08586	39.7
121.06505	8.3
121.10154	25.2
123.04449	1.0
123.08086	6.5
123.11742	5.5
124.99995	2.4
125.09646	7.9
127.03898	4.0
128.06195	2.4
129.05515	2.9
129.07021	11.3
130.07796	1.9
131.08571	29.0
131.09509	2.0
133.06465	1.8
133.10130	31.1
135.08034	6.7
135.11693	20.5
137.09625	4.5
139.11182	2.2
141.06963	6.2
142.07787	2.9
143.08562	11.5
145.06529	2.5
145.10136	26.1
147.08072	3.5
147.11681	17.0
149.09633	19.6
149.13255	13.5
150.92458	0.9
151.11179	3.7
153.09200	1.6
155.08554	5.5
155.10703	1.2
156.09354	1.0
157.10149	10.1
159.08038	2.4
159.11697	21.0
161.09625	3.4
161.13240	6.5
163.11201	14.2
165.09076	2.0
165.12790	1.2
167.08560	1.8
168.09370	1.5
169.10118	5.6
171.07986	1.2
171.11681	8.0
173.04433	2.7
173.09634	2.4
173.11850	2.1
173.13220	8.1
175.11218	4.2
175.14848	2.0
177.12796	5.4
179.08574	1.3
179.10722	1.5
179.14301	4.3
181.10168	2.2
181.12231	1.7
183.11667	6.6
184.07355	9.0
185.13330	3.6
187.11192	3.5
187.14841	2.2
189.11247	5.1
189.12752	1.8
189.16396	1.7
191.14284	1.2
193.10147	1.7
193.12177	1.3
195.11917	2.3
195.13838	8.9
197.13271	4.5
199.14871	1.9
201.12833	1.9
201.16412	1.2
205.15829	1.2
207.41765	1.0
209.13287	1.8
209.80038	1.0
211.14888	1.9
213.16478	1.7
215.14426	1.6
223.13110	1.3
227.12773	10.9
229.14201	1.4
229.19540	4.0
233.15259	1.2
233.18948	1.2
235.14861	1.3
235.17203	1.0
235.20392	1.0
237.16457	1.3
239.18030	3.8
245.13809	2.0
247.20653	3.6
251.16408	1.7
253.14328	2.3
255.15849	13.2
257.19003	14.1
259.20285	1.0
267.15927	4.8
269.17474	40.7
273.18588	1.9
275.20074	53.0
276.20395	1.0
291.19556	1.7
293.18018	1.4
293.20987	5.6
313.21439	1.7
321.24203	1.5
331.22668	4.4
349.23749	44.6
350.23883	1.8
367.24875	5.2
393.03177	1.2
413.21570	1.9
423.27432	1.5
431.28046	1.6
435.27164	2.5
439.27402	1.7
445.29764	3.1
449.28998	20.3
451.32233	3.0
463.30551	23.0
469.32913	1.4
501.36783	1.3
503.33615	1.5
513.36505	1.0
519.33331	1.4
525.35718	4.7
529.35504	9.5
543.36823	39.2
544.37158	1.8
547.36316	2.4
561.37799	7.4
623.42902	7.7
641.43701	4.2
654.56183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.0
65.03930	5.1
67.05506	100.0
68.05827	2.6
69.03433	12.0
69.06718	2.7
69.07073	47.8
69.93283	5.5
69.93703	2.3
71.04985	7.2
71.08606	1.5
71.92671	1.4
73.02924	2.4
77.03934	2.0
79.05496	88.5
80.05801	3.1
81.03425	17.0
81.07058	98.6
82.03721	1.9
82.07371	2.9
83.04963	14.4
83.08627	14.5
85.02892	5.9
85.06543	6.6
86.09697	2.7
91.05485	85.3
92.05791	2.9
93.07044	80.6
94.07366	3.0
95.04977	19.3
95.08614	53.4
97.02914	9.6
97.06543	15.5
97.10156	10.1
98.21133	4.3
99.08089	6.3
101.02345	1.6
103.05466	2.4
105.04530	3.1
105.07033	73.3
106.07346	2.6
107.04928	10.6
107.07854	2.8
107.08597	49.1
109.02872	2.7
109.06539	7.6
109.10155	30.0
111.04415	1.8
111.08076	9.2
115.05437	4.7
116.06264	1.7
117.07024	34.6
119.08587	56.2
120.08934	2.2
121.06534	7.7
121.10149	26.8
123.08071	6.6
123.11695	6.5
125.09611	7.1
127.03874	3.1
128.06212	5.2
129.05472	1.8
129.07001	18.0
130.07808	2.6
131.08575	35.6
133.06503	2.8
133.10133	43.5
134.10445	3.1
135.08089	7.8
135.11713	19.0
137.09602	6.2
139.11111	2.0
141.06966	9.3
142.07755	4.8
143.08553	20.5
145.10117	32.0
146.10608	1.6
147.08043	5.3
147.11708	26.6
149.09612	13.8
149.13278	11.5
151.11159	6.3
154.07799	1.8
155.08545	9.0
157.10121	16.2
159.08012	2.4
159.11697	25.4
161.09593	4.0
161.13264	11.7
163.11209	10.2
163.14815	2.5
167.08537	2.8
169.10114	10.7
171.11673	14.3
173.04515	1.7
173.09799	1.7
173.11806	3.1
173.13231	11.3
175.11235	3.9
175.14816	3.5
177.12749	5.6
179.14249	4.2
181.10168	2.9
183.11702	10.4
184.07303	8.9
185.13261	9.6
187.11176	2.0
187.14793	6.2
189.11198	2.1
189.12778	1.8
191.14314	2.8
193.12279	2.3
195.11668	4.7
195.13467	2.2
197.13272	8.3
199.14854	4.9
207.13763	1.7
209.13228	2.7
211.14882	3.4
213.16393	2.1
221.13181	2.4
223.14890	2.9
225.16434	2.0
227.12601	8.8
227.17769	2.4
229.14355	3.9
229.19402	2.3
239.17857	5.0
241.19484	5.2
247.20589	2.7
253.12029	1.9
253.14281	10.6
254.14641	3.7
255.15784	3.4
257.19009	8.3
259.20657	13.3
263.20135	2.1
269.17444	14.0
273.18655	3.6
275.20120	24.9
291.19476	8.5
293.21133	5.5
298.59677	1.8
331.22678	3.5
333.24307	16.9
337.21832	2.1
347.22021	1.8
349.23694	20.6
351.25092	2.1
365.23203	3.3
367.24564	3.2
421.31116	2.1
449.28711	2.9
463.30597	4.1
506.18390	1.8
513.35822	14.9
527.37354	11.3
543.36475	3.8
546.34741	2.1
559.35931	3.2
561.37244	1.8
607.43469	11.1
623.42651	2.0
625.43835	9.2
641.43420	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	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.9
67.05504	53.2
69.03127	1.0
69.03432	10.6
69.07069	35.1
69.84393	4.2
71.05006	5.0
74.75761	0.7
77.03930	0.8
79.05494	44.1
81.03423	9.3
81.07057	58.1
82.07375	1.1
83.04984	9.7
83.08614	13.5
83.81005	0.7
83.81569	0.7
85.02903	2.7
85.06541	2.2
91.05480	37.3
93.07045	42.1
95.04971	12.0
95.08607	22.4
95.09143	0.5
97.02886	9.1
97.06538	11.4
97.09605	1.2
97.10175	12.2
98.20838	1.6
99.04486	1.3
99.08068	1.0
103.05459	0.7
105.04534	0.8
105.07033	30.9
107.04960	9.9
107.08591	27.7
109.02869	1.8
109.06522	7.6
109.10160	15.7
111.04418	1.3
111.08090	4.0
113.06039	1.1
113.09669	1.0
115.05454	2.4
117.07016	15.9
119.04941	1.4
119.07786	1.3
119.08584	20.8
119.51163	0.7
121.06496	5.8
121.10143	10.7
123.04507	1.2
123.08109	4.9
123.11720	4.7
125.05964	1.2
125.09614	9.4
127.03911	1.6
128.06238	1.2
129.05515	1.1
129.06989	5.8
130.07790	1.9
131.08563	14.8
133.06535	3.8
133.10126	23.1
135.08051	6.3
135.11684	8.9
137.09621	2.8
139.11076	1.4
141.06987	2.0
142.07770	1.2
143.08545	6.0
145.06474	0.8
145.10123	12.4
147.08072	6.1
147.11691	7.2
149.09604	8.9
149.13257	7.5
151.11209	6.7
153.09061	1.6
155.08511	2.1
157.10121	5.6
159.08063	1.8
159.11693	12.5
161.09616	3.3
161.13266	2.7
162.10318	0.7
163.11195	6.7
163.14937	0.8
165.09119	1.8
165.12743	1.0
167.08591	0.8
169.08698	0.7
169.10155	2.2
169.12199	2.3
171.10329	1.0
171.11702	2.9
173.04456	1.4
173.09639	1.7
173.13255	2.5
175.11209	3.0
177.09163	0.9
177.12776	3.6
179.10678	1.1
179.14331	1.8
183.11655	1.7
185.13255	1.7
187.11197	1.5
189.11206	5.4
189.12793	1.5
195.13803	5.2
197.13318	1.7
199.14854	1.1
203.14256	1.2
205.12279	2.3
211.13185	1.0
213.14789	1.3
223.13306	14.9
227.12766	7.4
227.17882	1.5
229.19565	1.5
239.17943	1.7
245.19051	2.3
249.14861	3.5
253.14360	13.5
255.15694	5.9
257.18942	4.2
263.20206	1.3
267.15952	2.8
269.17465	28.9
273.18497	18.5
275.20068	16.6
291.19534	100.0
292.19821	3.0
293.21085	1.5
309.20624	1.8
321.24277	1.0
331.22540	1.0
347.22055	4.0
349.23770	12.9
365.23236	44.3
366.23441	1.6
367.24664	2.7
413.21750	1.3
421.66602	0.8
447.27487	1.3
461.28854	1.7
465.28696	0.9
479.29828	1.1
480.99808	0.9
501.32074	0.9
519.33081	0.9
527.33691	1.1
535.33069	1.3
541.35071	3.7
545.34711	14.6
559.36292	67.1
560.36432	2.7
631.62482	0.9
639.42560	12.9
657.43286	2.7
666.00391	0.9
703.39771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50333	1.3
61.02917	3.0
61.59612	1.2
65.03939	8.1
67.05506	84.9
68.05830	3.3
69.03438	10.5
69.06722	2.1
69.07071	36.0
71.04993	7.3
71.08642	2.5
71.57482	2.0
73.02916	2.3
73.06519	1.8
73.71919	1.3
77.03915	1.8
77.99336	1.3
79.05497	73.9
80.05813	4.0
81.03419	14.9
81.07060	100.0
81.64338	1.5
82.07380	6.3
83.04985	15.3
83.08610	15.9
84.08926	1.3
85.02900	8.1
85.06531	6.2
85.94888	1.3
86.09695	1.6
91.05483	81.3
92.05815	4.3
93.07046	75.0
94.07378	4.0
95.04976	19.9
95.08609	49.6
96.08945	2.2
97.02890	5.6
97.06538	14.2
97.10162	8.4
98.04031	1.8
99.04456	1.5
99.08096	4.3
103.05486	2.1
105.04566	2.2
105.07037	68.6
106.07357	2.4
107.04969	12.1
107.08595	49.4
108.08943	3.6
109.02938	2.2
109.06530	8.3
109.10162	27.8
110.10458	3.7
111.04507	1.6
111.08076	8.0
112.04758	1.4
115.05427	2.5
117.07030	26.6
119.08582	43.6
121.06533	8.6
121.10149	21.7
123.08063	8.5
123.11700	5.5
125.09624	5.9
127.03935	3.9
128.06218	4.1
129.05510	2.1
129.06998	15.9
131.04874	1.5
131.08563	27.2
133.06555	1.8
133.10141	51.4
134.10484	4.8
135.08063	4.9
135.11696	18.7
136.12051	1.6
137.09604	4.4
139.11172	1.7
141.07010	2.2
142.07776	3.4
143.08560	13.3
145.04971	1.7
145.06479	4.1
145.10143	26.2
147.08058	2.7
147.11694	19.2
149.09615	9.9
149.13269	11.8
150.13634	1.5
151.11194	10.3
155.08548	4.9
157.10141	11.4
159.08183	2.1
159.11694	18.6
161.09579	3.7
161.13274	10.5
163.11131	7.9
165.09126	2.3
165.12831	2.3
167.08630	1.8
169.10130	5.4
169.12321	2.0
171.11736	9.3
173.04433	2.9
173.09715	1.6
173.13278	7.8
175.11226	3.9
175.14877	2.6
177.12752	5.3
179.14313	2.7
181.10072	2.9
183.11719	5.1
184.07298	2.6
185.13246	6.4
187.11165	2.0
187.14825	4.5
189.11192	2.1
195.11772	2.9
195.13776	6.0
197.13216	2.7
199.14850	2.2
211.14893	2.6
213.16437	1.9
223.14980	1.8
227.12682	2.0
229.14294	1.4
231.21066	1.7
239.17786	2.2
241.19495	5.4
247.20561	1.5
253.14352	17.4
254.14713	6.6
255.15675	5.9
257.19006	4.3
259.20572	13.4
267.15836	2.4
269.17490	18.8
270.17920	1.9
273.18475	5.3
274.18878	3.3
275.20081	16.6
276.20377	1.9
277.21429	2.7
283.20682	1.7
291.19498	9.2
292.19983	3.5
293.21198	9.6
331.22635	1.6
333.24289	11.1
335.25851	1.5
347.21832	1.4
349.23810	9.9
365.23163	6.5
366.23178	2.8
367.24625	5.1
463.30203	2.9
466.28934	1.7
513.35748	4.8
527.37286	8.7
543.36414	4.1
547.35181	2.1
559.36237	5.5
560.36444	3.5
561.37140	6.8
607.43427	2.5
625.44543	3.7
641.43768	5.1
688.00085	1.9
857.46350	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	5.5
67.05508	87.6
67.25823	1.0
69.03423	10.5
69.07069	30.3
69.67000	4.6
69.67412	2.0
71.05003	8.9
71.15377	1.0
73.02909	1.2
79.05494	61.5
81.03423	16.2
81.07059	93.0
83.04984	18.5
83.08618	13.4
85.02915	5.4
85.06532	8.5
89.06028	1.5
91.05485	88.0
92.05802	1.3
93.07049	67.2
95.04375	1.4
95.04971	21.5
95.08612	34.6
97.02889	3.5
97.06536	14.6
97.10158	4.9
98.21037	3.6
99.04429	2.3
99.08089	4.0
103.05456	3.4
105.04546	2.0
105.07035	70.0
107.04956	14.7
107.08601	50.7
109.02879	1.9
109.06528	13.7
109.10159	51.6
111.04456	2.3
111.08070	6.0
113.06021	2.4
115.05455	3.5
115.07560	1.0
117.07027	19.4
119.04956	1.5
119.08590	30.9
121.06523	12.4
121.10138	14.6
123.04475	1.7
123.08083	7.0
123.11723	10.0
125.05992	1.7
125.09631	4.2
127.03983	1.7
127.07549	2.6
128.06189	3.6
129.05507	1.5
129.06993	7.3
130.07762	1.9
131.08572	23.8
133.06453	5.1
133.10135	80.5
135.08058	11.1
135.11708	12.8
137.05949	1.2
137.09578	5.0
141.06969	1.9
143.08557	8.1
145.06467	2.1
145.10126	18.1
145.11157	2.1
147.08012	3.6
147.11684	11.3
149.09624	16.7
149.13257	6.7
151.11198	30.0
153.12645	1.3
155.08574	1.2
157.10120	7.3
159.08080	2.8
159.11690	11.5
161.09607	7.7
161.13290	4.4
163.11188	10.6
165.09097	1.6
169.10159	3.4
169.12280	7.2
171.11678	5.5
173.04471	1.5
173.09642	2.3
173.13240	5.7
175.11200	4.1
177.08994	1.9
177.12759	3.4
179.10701	2.8
179.14308	4.5
180.84198	1.1
181.12230	1.5
181.18584	1.1
183.11676	2.3
184.07426	1.1
185.13257	3.2
187.11215	2.8
187.14803	1.7
189.11214	2.5
189.12723	2.3
193.12172	1.3
195.13806	4.6
197.13287	2.7
199.11182	1.5
199.14851	1.4
201.12724	1.9
206.10680	1.0
209.13266	1.6
215.12764	2.9
227.12762	2.9
227.18004	1.9
239.17857	3.0
245.19012	5.1
247.20453	1.4
251.12897	2.3
253.14357	100.0
254.14764	2.0
255.15825	3.5
257.18906	6.6
263.20096	4.6
267.15826	1.4
269.17484	16.4
271.15433	3.0
273.18521	26.8
275.20053	28.8
291.19550	24.9
293.20914	1.6
309.20609	2.8
347.22171	10.5
349.23761	18.7
365.23233	27.1
367.24667	2.0
423.23904	1.4
447.27524	5.7
451.26804	3.0
465.28409	7.8
505.52777	1.3
513.35693	1.2
527.33698	4.3
541.34924	4.8
545.34839	17.2
559.36346	39.5
560.36322	1.6
621.41583	1.5
639.42572	9.8
647.81677	1.1
657.43518	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13733	0.9
63.81799	1.2
65.03932	2.8
67.05505	54.2
69.03425	11.3
69.07069	41.7
69.07452	1.8
70.81652	2.1
71.04987	4.3
73.02914	1.3
74.00663	0.9
77.03937	1.7
79.05493	49.1
79.07570	0.9
81.03027	1.3
81.03433	12.1
81.07059	54.2
83.04983	10.7
83.08620	15.9
85.02903	4.1
85.06540	3.2
91.05485	40.9
93.07047	46.1
95.04964	13.7
95.08609	24.1
97.02889	9.0
97.06533	12.1
97.10181	16.9
98.21296	1.2
99.04438	1.1
99.08080	1.5
103.05459	1.9
105.04538	1.0
105.07030	32.4
107.04955	10.1
107.07869	1.6
107.08598	30.9
109.02872	2.8
109.06526	5.9
109.10152	14.5
110.29240	1.0
111.08083	5.4
111.11670	0.9
115.05476	1.7
117.07021	18.5
119.04945	2.3
119.06047	0.9
119.08584	21.7
119.09437	1.3
120.05701	0.9
121.06526	6.7
121.10133	12.8
123.04430	1.8
123.08056	4.8
123.11724	3.1
125.09636	11.3
127.03900	1.2
128.06226	1.7
129.07001	6.9
130.07805	1.6
131.08583	15.9
133.06502	3.8
133.10130	20.7
135.08081	6.1
135.11682	9.8
137.09627	3.2
139.07584	1.4
139.11188	1.1
141.06964	1.2
142.07703	1.4
143.08511	4.8
145.06523	1.8
145.10120	15.8
147.08060	5.3
147.11708	6.1
149.09637	11.3
149.13251	7.3
151.11211	4.8
153.09076	1.8
155.08554	2.3
157.10149	6.0
159.08104	1.9
159.11670	10.7
161.09634	3.7
161.13280	2.5
163.11177	6.9
165.09171	1.8
167.10709	1.1
169.10182	2.1
169.12221	1.8
171.10330	1.7
171.11697	4.5
173.04486	2.2
173.09561	1.0
173.13310	3.7
175.11191	3.7
177.12793	4.3
179.14279	2.4
181.12093	1.3
183.11697	2.6
185.13286	2.7
187.11299	1.3
187.14833	1.1
189.11209	5.7
189.12715	2.1
193.12277	1.6
193.18990	0.9
195.11935	1.1
195.13834	5.0
197.13197	1.8
201.12788	1.6
205.12276	2.3
209.13470	1.2
223.13295	16.4
227.12805	12.8
229.19565	1.1
233.15459	1.1
239.18002	2.3
245.19026	1.8
249.14867	3.1
253.14349	7.2
255.15733	6.3
257.18921	5.4
267.16016	3.7
269.17465	20.0
273.18503	19.0
275.20068	23.2
279.16260	1.1
285.24109	1.0
291.19540	100.0
292.19940	2.6
293.20978	1.9
309.20654	1.9
331.22809	2.2
347.22104	3.9
349.23767	19.7
365.23224	43.5
367.24725	1.3
423.23843	1.2
425.25290	0.9
461.28586	1.4
515.99792	1.0
519.32928	1.5
541.35132	2.6
543.36646	1.4
545.34723	15.2
559.36292	50.5
560.36389	2.8
639.42596	23.4
640.42969	1.9
657.43542	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.2
62.88641	1.0
65.03927	5.0
67.05504	89.3
69.03419	8.3
69.06721	2.1
69.07067	32.0
71.01350	1.8
71.04995	7.2
71.08630	1.4
77.03939	2.2
79.05492	66.1
80.05843	1.0
81.03416	15.0
81.07056	100.0
83.04981	15.6
83.08612	13.2
85.02901	4.0
85.06544	8.5
86.09735	1.6
91.05480	85.8
93.07045	74.0
94.07294	1.2
95.04964	20.5
95.08606	37.7
97.02901	2.3
97.06540	15.9
97.10140	5.5
98.20834	5.7
98.21518	2.1
99.04470	2.9
99.08067	3.5
101.06008	1.3
103.05464	3.3
105.04498	1.3
105.07029	72.7
107.04958	14.8
107.08595	52.8
109.02874	1.8
109.06532	11.5
109.10155	49.0
111.04442	1.8
111.08076	6.4
113.05996	3.5
113.09671	1.1
115.05428	3.3
117.07017	21.6
119.04888	1.5
119.08580	30.6
120.08115	1.1
121.06509	11.3
121.10134	19.7
123.04401	2.3
123.08089	6.4
123.11699	10.0
124.99956	1.3
125.09610	3.9
127.03918	2.2
127.07509	2.1
128.06186	3.3
129.05524	1.4
129.07037	7.5
130.07755	1.2
131.08569	30.0
133.06502	6.0
133.10129	71.0
135.08057	12.9
135.11711	16.4
137.09641	5.7
139.07489	1.5
139.11169	1.5
141.06972	2.8
142.07745	1.7
143.08585	7.8
145.06480	1.8
145.10112	16.6
147.08038	5.3
147.11678	15.1
149.09615	17.5
149.13229	10.3
151.11183	31.8
155.08504	3.5
155.36658	1.1
157.10138	7.8
159.08067	2.7
159.11699	13.9
161.09612	8.6
161.13231	6.2
161.35829	1.0
163.11192	10.5
165.12785	1.5
167.08505	1.2
169.10114	2.8
169.12230	5.3
171.11702	6.2
173.04446	1.6
173.09647	2.8
173.13249	6.2
175.11182	6.1
175.14801	1.1
177.09021	3.1
177.12717	4.2
179.10687	2.3
179.14273	2.2
181.10091	1.2
181.12196	2.0
183.11621	2.7
184.07320	2.7
185.13271	3.1
187.11188	2.9
187.14796	1.1
189.12691	3.6
195.11848	2.2
195.13794	6.2
197.13246	1.9
199.14819	2.0
209.13309	1.4
211.14757	1.9
215.12781	5.8
219.13826	1.6
227.18028	1.4
229.19502	1.7
229.39740	1.2
235.16920	1.2
237.16449	1.9
239.17921	2.0
245.18951	8.1
247.20680	1.8
249.18562	1.5
251.12889	1.8
253.14340	76.4
254.14676	1.6
255.15923	4.8
257.18970	7.0
263.20035	5.2
267.15863	1.7
269.17474	23.9
271.15305	5.3
273.18491	33.8
275.20056	25.4
276.20230	1.7
291.19550	34.8
293.21051	2.4
309.20599	4.5
329.21036	1.8
331.22537	1.7
347.22089	12.5
349.23776	15.2
365.23227	38.1
367.24774	2.7
383.24164	1.6
447.27328	4.3
451.26730	4.5
463.26468	1.5
465.28546	9.4
503.33484	1.3
527.33673	3.6
541.35297	8.1
545.34790	20.9
559.36304	51.4
560.36090	1.8
621.41626	2.6
623.41925	1.2
639.42395	11.8
657.43011	4.3
854.44897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	13.4
65.03940	3.7
67.05505	85.8
69.03422	5.6
69.07073	15.1
69.68795	9.0
71.01372	2.5
71.04987	4.8
73.02902	7.7
79.05049	2.7
79.05492	35.6
81.03418	15.0
81.07056	63.7
83.04985	10.4
83.08622	19.9
85.02914	25.0
85.06543	5.4
87.04457	4.8
91.03960	11.2
91.05485	27.8
93.07048	37.0
95.04975	9.4
95.08604	22.0
97.02893	12.3
97.06547	9.9
97.10167	15.0
98.20792	2.0
98.21336	3.1
99.04443	1.6
99.08097	2.1
103.03964	1.7
105.07040	13.0
107.04951	6.7
107.08594	25.6
109.06501	4.0
109.10156	51.5
111.08081	5.9
113.73995	1.3
117.06989	7.0
119.08572	14.7
120.74616	1.3
121.06516	3.5
121.10131	9.0
123.08065	3.0
123.11716	3.9
125.09592	11.1
125.58974	1.6
127.03925	4.1
129.05487	4.3
129.06970	3.0
131.08563	9.4
133.10112	10.9
135.08051	2.9
135.11696	9.7
137.09641	3.4
143.07010	1.7
143.10669	1.7
145.04979	6.5
145.10152	5.5
147.11684	6.2
149.09654	3.6
149.13242	11.8
153.12733	3.3
155.10654	4.3
157.10124	3.0
159.11700	6.1
163.06055	6.2
163.11156	8.8
165.12747	3.4
172.97136	1.6
173.04477	1.7
173.11752	13.4
175.11171	2.9
177.12726	2.8
181.12213	3.1
185.11771	2.1
186.38348	1.6
191.10689	2.6
193.12277	8.6
195.13811	13.6
199.13347	7.1
209.11685	9.7
211.13354	7.5
227.12758	11.3
229.12096	2.6
229.14366	53.5
239.16454	5.7
249.23062	1.4
267.15982	14.5
269.17490	58.2
270.18033	1.8
283.15479	8.6
285.16891	3.0
301.16470	22.0
323.18463	2.6
393.26434	3.1
406.40543	1.6
411.27585	6.7
422.26443	2.0
423.21692	2.6
423.27399	46.1
431.27954	3.9
449.28949	3.5
459.27621	2.4
468.09164	1.5
477.28336	3.8
495.29526	100.0
496.29611	3.3
513.30560	32.9
601.22552	1.8
774.46564	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	13.4
65.03940	3.7
67.05505	85.8
69.03422	5.6
69.07073	15.1
69.68795	9.0
71.01372	2.5
71.04987	4.8
73.02902	7.7
79.05049	2.7
79.05492	35.6
81.03418	15.0
81.07056	63.7
83.04985	10.4
83.08622	19.9
85.02914	25.0
85.06543	5.4
87.04457	4.8
91.03960	11.2
91.05485	27.8
93.07048	37.0
95.04975	9.4
95.08604	22.0
97.02893	12.3
97.06547	9.9
97.10167	15.0
98.20792	2.0
98.21336	3.1
99.04443	1.6
99.08097	2.1
103.03964	1.7
105.07040	13.0
107.04951	6.7
107.08594	25.6
109.06501	4.0
109.10156	51.5
111.08081	5.9
113.73995	1.3
117.06989	7.0
119.08572	14.7
120.74616	1.3
121.06516	3.5
121.10131	9.0
123.08065	3.0
123.11716	3.9
125.09592	11.1
125.58974	1.6
127.03925	4.1
129.05487	4.3
129.06970	3.0
131.08563	9.4
133.10112	10.9
135.08051	2.9
135.11696	9.7
137.09641	3.4
143.07010	1.7
143.10669	1.7
145.04979	6.5
145.10152	5.5
147.11684	6.2
149.09654	3.6
149.13242	11.8
153.12733	3.3
155.10654	4.3
157.10124	3.0
159.11700	6.1
163.06055	6.2
163.11156	8.8
165.12747	3.4
172.97136	1.6
173.04477	1.7
173.11752	13.4
175.11171	2.9
177.12726	2.8
181.12213	3.1
185.11771	2.1
186.38348	1.6
191.10689	2.6
193.12277	8.6
195.13811	13.6
199.13347	7.1
209.11685	9.7
211.13354	7.5
227.12758	11.3
229.12096	2.6
229.14366	53.5
239.16454	5.7
249.23062	1.4
267.15982	14.5
269.17490	58.2
270.18033	1.8
283.15479	8.6
285.16891	3.0
301.16470	22.0
323.18463	2.6
393.26434	3.1
406.40543	1.6
411.27585	6.7
422.26443	2.0
423.21692	2.6
423.27399	46.1
431.27954	3.9
449.28949	3.5
459.27621	2.4
468.09164	1.5
477.28336	3.8
495.29526	100.0
496.29611	3.3
513.30560	32.9
601.22552	1.8
774.46564	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	854.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	19.4
65.03938	3.7
67.05507	95.1
69.03436	10.1
69.06717	2.0
69.07070	24.6
69.90220	2.0
69.90641	4.7
71.01351	2.7
71.04995	9.0
73.02915	9.8
77.03881	1.5
79.05495	66.4
81.02969	2.5
81.03416	28.2
81.07059	98.8
82.04200	2.8
82.36285	1.4
83.01357	1.9
83.04980	16.9
83.08627	27.6
84.05758	1.9
85.02418	2.1
85.02908	25.7
85.06545	4.8
87.04455	1.6
91.03959	13.0
91.05486	44.3
93.07047	67.9
94.04210	1.8
95.04974	23.1
95.08611	27.4
97.02894	15.1
97.06532	16.5
97.10183	16.3
98.07308	3.9
98.21045	2.9
99.04430	2.8
99.08089	4.7
101.05981	1.8
103.03901	1.5
104.25114	1.3
105.07033	20.7
107.04958	8.3
107.08602	40.6
107.95072	1.5
109.02873	2.2
109.06517	7.2
109.10163	22.9
111.04418	2.9
111.08083	11.3
113.06007	1.8
115.05470	1.4
116.04713	7.2
117.05492	2.0
117.07025	12.2
119.08579	20.5
121.06497	4.8
121.10146	22.3
123.08064	5.5
123.11716	5.1
125.09628	19.4
127.03904	7.1
127.11175	2.0
129.04619	1.7
129.05501	19.2
129.07013	5.9
131.04874	1.3
131.08572	19.7
133.10126	15.7
135.08063	3.8
135.11700	14.2
137.09590	3.5
139.11118	2.1
143.07040	4.4
145.04977	4.3
145.10078	7.4
147.08031	3.5
147.11702	7.5
149.09605	4.5
149.13255	33.9
149.14360	2.6
151.11200	2.9
153.09158	2.6
153.12785	2.4
155.08615	1.8
155.10587	2.3
157.08589	8.9
157.10068	4.9
159.11697	17.9
161.09718	2.4
163.06021	4.8
163.11186	8.7
165.12759	2.2
167.07085	1.5
171.06573	3.1
171.10167	3.7
173.04601	2.2
173.09618	3.3
173.11700	7.3
175.11191	4.3
177.12807	7.2
181.12206	3.7
185.11751	1.4
189.11221	5.0
191.10686	4.9
193.12259	9.0
195.13820	18.7
199.13332	16.3
209.11722	10.3
211.13318	8.7
213.11032	1.6
213.14880	3.9
217.14348	1.6
227.12773	9.2
229.14339	3.8
239.16415	1.5
255.15837	3.5
265.14246	1.9
267.15970	10.2
269.17493	91.4
283.15408	15.2
285.16989	5.1
301.16461	44.3
323.18491	3.7
351.21609	2.2
356.10947	1.5
373.18781	1.8
393.26425	9.7
411.27353	16.2
413.21646	2.2
423.27423	46.9
424.27603	1.6
449.28888	4.2
459.27411	4.8
461.28998	5.3
477.28458	22.3
478.29111	7.0
479.30286	1.6
495.29565	100.0
496.29691	4.8
497.12750	1.4
621.32581	4.2
639.33563	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	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.7
65.03934	2.4
65.29446	1.0
67.05164	1.6
67.05509	24.4
69.03431	5.9
69.07071	7.0
69.92981	4.2
70.23290	0.8
71.04995	5.8
73.02921	2.5
77.28775	0.9
78.04733	1.1
79.05057	1.7
79.05499	27.6
79.05956	1.7
81.03423	87.1
81.06577	1.7
81.07059	30.5
83.04981	18.2
83.08131	1.8
83.08621	30.9
85.02909	37.9
85.06554	1.7
87.45948	0.8
91.03945	3.6
91.05486	34.5
93.07051	19.5
95.04976	31.9
95.08618	8.9
97.02898	7.4
97.06531	5.2
97.10182	5.1
98.20889	1.7
98.21459	1.2
98.25764	0.8
99.08083	1.9
103.05487	1.5
105.04532	1.2
105.07038	27.4
107.04969	9.2
107.08601	8.5
109.06517	5.5
109.10162	3.2
111.04458	4.1
111.08087	13.2
113.06014	4.1
115.05479	3.3
117.07022	4.3
119.04971	1.1
119.08587	22.8
121.06528	3.5
121.10136	11.3
123.04426	2.7
123.08067	3.3
123.11749	1.0
125.09625	3.3
127.03916	1.7
127.07599	1.0
129.07021	14.4
131.08595	15.6
133.06538	5.3
133.10132	13.0
135.08052	1.6
135.11678	1.7
137.06042	1.1
137.09621	2.3
142.07782	3.7
143.08508	1.0
145.04985	1.8
145.06540	2.4
145.10130	2.9
147.08044	4.8
147.11685	18.8
149.09630	9.3
151.03908	0.8
151.11189	1.0
157.10143	18.8
159.11823	1.1
161.05940	1.1
163.06015	1.5
163.11247	1.4
165.12744	5.2
167.07051	39.6
168.07365	9.3
173.05992	2.8
175.07727	0.8
175.11185	21.8
176.53365	0.9
181.04973	8.3
181.08603	3.3
182.05286	1.5
189.11177	1.1
193.08597	3.2
193.12253	52.9
194.08900	1.5
209.07968	0.8
211.13306	58.2
229.14398	1.0
233.08122	1.3
234.33145	0.8
235.09496	0.9
249.14926	1.0
267.15918	37.0
283.15408	0.8
285.16977	50.7
286.17245	1.0
357.13177	1.0
367.22638	1.1
385.12772	2.3
385.23749	3.0
386.13095	1.5
403.24515	2.0
417.15204	1.0
429.21671	1.3
433.25699	2.1
441.26544	2.3
459.27432	34.4
460.27972	1.7
477.28516	40.5
478.28824	2.8
495.29553	100.0
496.29654	2.7
621.32483	1.3
639.33435	3.7
854.32574	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	854.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64517	0.5
60.91439	0.6
61.02926	10.4
65.03931	1.5
67.05502	26.1
69.03423	6.7
69.07066	7.3
70.16298	1.9
71.04992	5.6
73.02913	4.2
73.06521	0.5
77.03912	0.6
79.05489	31.4
81.03415	92.2
81.07052	32.5
83.04980	19.5
83.08615	31.2
85.02901	39.8
85.06538	2.1
87.83212	0.5
91.03963	5.8
91.05477	40.6
93.06564	0.3
93.07040	21.4
95.04964	32.9
95.08602	13.9
97.02892	10.3
97.06509	5.2
97.10160	6.1
98.21061	1.2
99.04456	0.8
99.08096	1.9
103.05447	0.6
105.04536	0.6
105.07024	30.1
107.04941	9.3
107.08595	9.5
109.02920	0.6
109.06512	6.8
109.10155	2.7
111.04461	3.5
111.08076	13.2
113.06023	3.1
115.05475	1.9
117.07012	2.1
119.04961	0.6
119.08573	24.4
121.06493	3.4
121.10136	13.8
123.08064	3.1
123.11711	2.1
125.09632	2.1
127.03870	2.6
127.07542	1.1
128.06235	1.0
129.07005	15.7
131.08562	16.5
133.06491	4.4
133.10127	16.2
135.08031	0.9
135.11659	0.9
137.05989	0.7
137.09593	1.9
142.07773	4.2
145.04976	2.6
145.06122	0.5
145.10097	2.6
147.08046	4.8
147.11673	19.6
149.09618	10.0
151.07635	0.6
157.10121	21.7
163.06015	2.3
163.11185	0.9
165.12790	4.1
167.07036	0.7
170.65939	0.5
175.11176	21.1
189.11208	1.1
193.12234	61.2
194.12572	0.8
211.13284	100.0
212.13606	1.5
227.12697	0.6
233.15543	0.6
249.14769	1.2
255.13882	0.7
267.15900	48.5
268.16293	1.3
273.14752	1.0
285.16949	89.1
286.17380	1.9
367.22815	3.7
385.23834	5.5
403.24731	2.1
429.21014	1.3
433.25778	2.2
441.26227	1.7
452.06647	0.6
459.27359	32.8
477.28433	36.9
478.28845	1.7
495.29520	99.5
496.29803	4.6
549.33032	0.5
588.83740	0.5
621.32153	0.7
639.33557	1.8
888.71918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.1
67.05505	19.9
69.03397	0.9
69.07068	7.7
69.42741	2.6
71.01337	1.5
71.04996	2.1
71.08635	9.2
73.02918	1.5
79.05494	14.8
81.03416	3.1
81.07059	12.4
83.04980	3.6
83.08626	4.9
85.02435	0.3
85.02903	5.6
85.06548	1.6
85.09715	0.4
85.10185	5.6
89.05997	0.7
91.03960	3.6
91.05486	5.4
93.07045	20.2
95.04966	1.8
95.08607	10.7
95.68877	0.3
97.02889	2.9
97.06544	5.0
97.10177	6.2
98.21204	1.3
99.04446	0.7
99.08062	0.9
99.11755	0.3
103.07581	0.6
105.04507	0.4
105.07003	1.3
107.04945	0.5
107.08597	13.3
109.02859	0.4
109.06490	0.7
109.10162	5.4
111.08063	0.9
111.11671	0.8
113.05983	0.3
114.58714	0.3
117.07016	1.5
119.08578	3.0
121.06481	0.5
121.10150	3.1
123.11665	1.4
127.03927	1.5
133.10103	1.2
135.11699	27.8
136.12007	0.3
137.09596	0.7
145.04945	1.5
145.10133	4.5
153.12747	0.8
163.06023	2.1
163.11195	4.2
181.12244	6.9
199.13280	1.1
239.23763	1.1
253.14308	0.4
255.15916	100.0
256.16211	2.1
257.24744	1.2
288.15359	0.3
313.27362	39.8
314.27689	1.0
391.13116	0.3
493.38889	77.0
494.39243	3.6
774.12372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.4
65.03943	0.7
67.05505	22.8
69.03433	1.0
69.07071	9.1
69.70065	2.8
69.70438	1.0
71.01344	1.4
71.04991	1.7
71.08227	0.8
71.08631	15.1
73.02911	1.7
77.03912	0.6
79.05495	17.2
79.05963	0.8
80.54256	0.4
81.03414	2.3
81.06578	0.8
81.07060	15.7
83.04987	4.2
83.08623	6.8
85.02910	6.5
85.06532	1.6
85.10192	7.5
89.06023	0.5
91.03947	3.0
91.05484	7.4
93.07044	20.1
95.04980	1.8
95.08609	15.4
96.04539	0.5
97.02897	3.5
97.06535	5.1
97.10178	6.0
98.20791	0.9
99.04469	0.7
99.08093	0.9
105.07041	1.7
107.04949	0.5
107.07867	0.7
107.08595	14.6
109.10168	7.4
111.08100	0.9
111.11749	0.5
117.06997	2.4
119.08594	2.3
121.06530	1.0
121.10121	3.0
123.11720	2.4
125.09620	1.0
127.03903	0.9
133.10135	1.2
135.08089	0.6
135.11699	23.0
137.09613	0.6
137.13264	0.8
145.04973	1.3
145.10121	4.8
151.14824	0.5
153.12724	0.8
163.06009	1.5
163.11168	2.2
181.12271	3.7
199.13350	0.7
239.23647	0.9
255.15919	37.8
257.24826	0.9
313.27374	35.5
314.27771	1.2
417.90768	0.4
449.09445	0.5
493.38885	100.0
494.39099	3.7
565.10541	0.7
655.45337	0.5
811.88721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.5
65.03934	2.0
67.05505	19.6
67.05872	1.0
69.03437	7.5
69.07070	23.5
71.04984	1.7
71.57684	0.9
73.02897	0.6
79.05493	18.4
81.03425	5.2
81.07056	17.4
83.04972	3.6
83.08615	8.6
85.02881	1.4
85.06522	0.9
91.05484	13.6
93.07045	15.4
94.04208	0.7
95.01348	0.8
95.04957	6.2
95.08614	6.9
97.02895	7.9
97.06537	2.7
97.10166	12.1
99.04459	0.6
99.08080	0.6
103.05485	0.8
105.03367	0.5
105.06380	0.8
105.07033	10.6
107.04959	6.9
107.08596	9.5
108.05782	0.5
109.02868	0.7
109.06504	1.9
109.10156	6.3
111.04422	0.9
111.08088	1.9
115.05449	1.3
117.07009	5.7
119.04964	1.3
119.08586	10.2
120.05674	0.8
121.06516	3.8
121.10139	3.8
123.04410	0.5
123.08058	3.3
123.11677	0.5
125.09637	9.0
126.01410	0.4
128.06183	1.1
129.06992	2.8
130.07785	1.0
131.08571	6.6
133.06483	3.2
133.10117	4.4
134.07240	1.6
135.08043	3.7
135.11679	2.0
137.09607	1.7
139.18126	0.4
141.06950	0.7
142.07755	1.0
143.08560	3.8
145.06480	0.8
145.10130	5.1
147.08047	5.2
147.11665	2.3
149.09590	1.3
149.13271	1.9
151.11162	0.5
153.01765	0.5
153.09091	0.6
153.12837	0.5
155.08604	0.8
157.10098	2.3
159.11731	2.2
161.09633	2.7
162.10391	1.2
163.11172	1.6
165.09090	1.7
169.10123	1.3
169.12173	0.6
171.10211	0.8
171.11729	1.6
173.13229	0.5
175.11176	2.4
175.14774	0.5
177.12761	1.6
179.10684	0.9
184.07300	0.5
185.13239	1.0
187.14716	0.5
189.11276	3.6
193.12250	0.5
195.11736	0.5
195.13792	1.6
195.41945	0.5
205.12224	2.5
210.47340	0.5
211.13199	0.6
221.11678	0.6
223.13295	18.6
227.12721	4.9
227.17891	0.8
234.15070	0.4
237.16557	0.5
245.19002	1.5
247.59441	0.5
249.14865	4.3
255.17435	1.6
263.20044	0.6
267.15891	1.4
273.18491	15.1
275.20020	0.6
279.15881	0.5
291.19540	100.0
292.19916	2.8
309.20758	0.6
347.22122	2.7
352.25452	0.5
365.23236	45.3
366.23581	1.6
368.57272	0.5
387.09396	0.5
535.32428	1.1
538.16101	0.5
557.34448	1.9
575.35431	1.1
637.40881	2.5
655.42072	44.2
656.42297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.7
67.05508	43.1
69.03417	4.3
69.07071	12.4
69.26306	9.7
71.04980	2.8
79.05492	30.5
81.03420	6.0
81.07056	47.7
83.04991	9.5
83.08627	4.6
85.06534	3.9
91.05486	46.9
93.07044	33.4
95.04977	11.0
95.08607	15.5
97.02879	1.5
97.06525	5.4
97.10146	1.6
98.19667	0.9
98.21263	4.1
99.04462	2.1
103.05474	1.5
105.04533	1.0
105.07035	39.5
107.04947	8.6
107.08596	29.9
109.06541	6.5
109.10161	40.2
111.04464	0.9
111.08072	2.2
113.06023	1.4
115.05428	1.1
117.07008	6.3
117.57534	0.8
119.08574	10.0
120.48817	0.9
121.06499	11.7
121.10130	5.8
123.08073	5.1
123.11706	6.6
125.05959	0.9
125.09667	1.0
127.07595	1.6
128.06242	2.5
129.07051	4.8
131.08591	9.7
133.06448	3.6
133.10132	59.0
135.08054	7.4
135.11685	3.9
137.09630	3.3
139.07565	1.3
141.07037	1.4
143.08600	5.6
145.06490	1.1
145.10094	6.2
147.08018	3.6
147.11687	3.6
149.09653	6.1
151.11189	31.3
155.08519	1.4
157.10118	3.8
159.08078	2.3
159.11687	3.6
161.09605	7.2
161.13271	1.8
163.07468	1.0
163.11124	1.8
169.10126	1.4
169.12297	5.6
171.11656	2.6
173.09662	2.1
173.13289	1.6
175.11211	3.9
177.09059	1.7
177.12700	1.3
179.10640	3.3
184.07341	1.7
185.13232	1.4
187.11256	1.1
189.12790	1.1
191.10745	1.3
203.14291	1.4
209.11752	1.1
211.00386	1.0
215.12724	3.8
217.12077	1.2
223.13393	1.3
227.17931	1.7
237.16499	1.2
239.99161	1.0
245.19064	4.9
251.12703	1.3
253.14363	100.0
254.14636	2.7
255.17355	1.9
261.18381	0.9
263.20111	3.9
271.15341	3.3
273.18512	27.7
274.18613	1.1
291.19568	20.8
297.37592	1.0
309.20422	1.3
329.20926	1.6
347.22229	8.0
365.18982	1.8
365.23248	26.2
366.23846	1.1
370.02124	0.9
421.25797	2.5
449.25320	14.0
486.35382	0.9
510.38452	1.2
543.33075	7.0
561.34479	7.2
637.40698	2.6
655.41913	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.5
65.03934	2.0
67.05505	19.6
67.05872	1.0
69.03437	7.5
69.07070	23.5
71.04984	1.7
71.57684	0.9
73.02897	0.6
79.05493	18.4
81.03425	5.2
81.07056	17.4
83.04972	3.6
83.08615	8.6
85.02881	1.4
85.06522	0.9
91.05484	13.6
93.07045	15.4
94.04208	0.7
95.01348	0.8
95.04957	6.2
95.08614	6.9
97.02895	7.9
97.06537	2.7
97.10166	12.1
99.04459	0.6
99.08080	0.6
103.05485	0.8
105.03367	0.5
105.06380	0.8
105.07033	10.6
107.04959	6.9
107.08596	9.5
108.05782	0.5
109.02868	0.7
109.06504	1.9
109.10156	6.3
111.04422	0.9
111.08088	1.9
115.05449	1.3
117.07009	5.7
119.04964	1.3
119.08586	10.2
120.05674	0.8
121.06516	3.8
121.10139	3.8
123.04410	0.5
123.08058	3.3
123.11677	0.5
125.09637	9.0
126.01410	0.4
128.06183	1.1
129.06992	2.8
130.07785	1.0
131.08571	6.6
133.06483	3.2
133.10117	4.4
134.07240	1.6
135.08043	3.7
135.11679	2.0
137.09607	1.7
139.18126	0.4
141.06950	0.7
142.07755	1.0
143.08560	3.8
145.06480	0.8
145.10130	5.1
147.08047	5.2
147.11665	2.3
149.09590	1.3
149.13271	1.9
151.11162	0.5
153.01765	0.5
153.09091	0.6
153.12837	0.5
155.08604	0.8
157.10098	2.3
159.11731	2.2
161.09633	2.7
162.10391	1.2
163.11172	1.6
165.09090	1.7
169.10123	1.3
169.12173	0.6
171.10211	0.8
171.11729	1.6
173.13229	0.5
175.11176	2.4
175.14774	0.5
177.12761	1.6
179.10684	0.9
184.07300	0.5
185.13239	1.0
187.14716	0.5
189.11276	3.6
193.12250	0.5
195.11736	0.5
195.13792	1.6
195.41945	0.5
205.12224	2.5
210.47340	0.5
211.13199	0.6
221.11678	0.6
223.13295	18.6
227.12721	4.9
227.17891	0.8
234.15070	0.4
237.16557	0.5
245.19002	1.5
247.59441	0.5
249.14865	4.3
255.17435	1.6
263.20044	0.6
267.15891	1.4
273.18491	15.1
275.20020	0.6
279.15881	0.5
291.19540	100.0
292.19916	2.8
309.20758	0.6
347.22122	2.7
352.25452	0.5
365.23236	45.3
366.23581	1.6
368.57272	0.5
387.09396	0.5
535.32428	1.1
538.16101	0.5
557.34448	1.9
575.35431	1.1
637.40881	2.5
655.42072	44.2
656.42297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27200	0.6
62.66383	0.5
65.03917	2.0
67.05505	42.6
67.32986	0.6
69.03436	8.3
69.07069	26.3
69.07449	1.4
69.60558	0.7
71.04993	3.0
71.58489	0.7
77.03915	0.8
79.05494	31.3
81.03410	6.4
81.07059	41.3
82.33202	0.6
83.04973	8.1
83.08200	0.8
83.08627	9.4
85.02898	2.2
85.06548	3.8
88.42559	0.7
91.05481	41.9
93.07045	32.0
95.04977	12.3
95.08610	14.0
97.02880	6.2
97.06533	6.5
97.10170	9.6
99.04412	1.4
99.08081	1.0
103.05462	1.5
105.04517	1.4
105.07033	31.3
107.04274	0.8
107.04958	9.8
107.08598	26.5
108.05711	0.7
109.02884	1.1
109.06522	7.8
109.10159	34.7
111.04419	1.9
111.08071	2.7
113.06004	1.2
115.05434	2.2
116.06283	0.7
117.07022	9.4
119.04946	1.4
119.07793	1.0
119.08582	14.1
120.05604	0.6
120.37444	0.6
121.06516	8.6
121.10151	7.1
123.04404	1.4
123.08088	4.6
123.11709	4.2
125.05988	0.9
125.09632	6.9
127.07555	1.1
128.06203	2.6
129.07016	4.9
130.07800	0.8
131.08577	12.7
133.06512	4.4
133.10133	39.9
134.07246	1.5
135.08058	7.8
135.11694	4.0
137.06041	0.7
137.09631	3.2
139.07523	1.0
139.11217	0.7
141.06931	1.1
142.07799	0.8
143.08559	5.8
144.09372	0.7
145.06459	1.6
145.10129	7.9
146.07214	0.7
147.08044	5.6
147.11664	4.4
149.09625	5.0
149.13321	1.4
151.11192	20.1
155.08514	0.8
157.10106	3.9
159.08025	2.1
159.11642	2.9
161.09575	5.4
161.13205	1.8
163.07553	0.8
163.11151	2.7
165.09094	1.3
169.10103	1.3
169.12291	4.8
171.10226	0.9
171.11671	2.7
173.09630	1.3
173.11798	0.8
173.13264	0.8
175.11197	3.4
177.09097	1.5
177.12762	2.3
179.10643	2.1
183.11710	1.3
185.09578	0.7
185.13239	1.6
187.11197	1.6
189.11214	2.5
189.12746	1.2
191.10667	0.7
193.12398	0.9
195.11726	0.9
195.13841	1.4
201.12790	0.6
203.14273	0.8
205.12279	1.6
215.12737	1.8
223.13290	14.0
223.15422	1.0
227.12758	3.3
227.17941	2.1
235.13206	0.7
237.16295	0.7
245.19016	4.3
249.14859	3.3
251.12819	1.9
253.14355	79.2
254.14636	1.7
255.17470	2.2
263.20114	2.4
267.15948	0.8
273.18500	31.0
275.20181	0.9
283.15451	0.7
291.19543	100.0
292.19925	2.0
309.20435	1.4
347.22180	10.5
365.23233	40.1
366.23471	1.2
406.29562	0.6
413.96454	0.6
423.23666	1.4
475.97623	0.6
538.83325	0.7
543.33112	3.8
559.32556	1.5
561.25818	1.1
561.34253	17.1
573.34625	0.8
575.35657	1.2
598.60461	0.7
637.41083	7.3
655.42059	25.6
656.42401	1.1
680.39886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07057	1.0
65.03930	3.4
66.77410	1.1
67.05505	53.7
69.03424	4.5
69.07067	14.2
69.58682	1.8
69.58985	7.0
71.04987	4.3
79.05495	42.2
81.03425	9.0
81.07059	59.6
83.04978	13.6
83.08625	5.7
85.02902	2.2
85.06542	4.2
91.05483	64.6
93.06462	2.2
93.07044	42.6
95.04974	12.4
95.08607	22.0
95.09151	0.6
97.02901	1.6
97.06527	5.4
97.10174	2.1
98.21212	3.4
99.04446	2.0
103.05476	2.6
105.04530	1.0
105.07034	52.5
107.04964	9.9
107.08598	34.8
109.06517	10.3
109.10157	45.5
111.04404	1.2
111.08074	4.4
113.06006	1.3
115.05422	1.1
115.68076	0.9
117.07021	11.0
119.04898	1.1
119.08580	16.3
119.44243	1.3
121.06498	11.5
121.10143	8.1
123.04420	1.2
123.08101	4.9
123.11696	8.3
125.09608	2.1
127.07501	2.0
128.06198	2.6
129.06999	4.6
130.07762	1.2
131.08571	14.3
133.06491	7.0
133.10132	69.7
135.07108	1.1
135.08063	11.5
135.11693	5.1
137.05951	1.4
137.09593	2.8
139.07578	1.7
140.39775	1.0
141.06940	1.0
143.08559	6.3
145.06468	2.2
145.10123	10.4
147.08055	5.7
147.11691	6.5
149.09604	10.1
149.13290	1.9
151.11186	36.9
152.11545	1.2
155.08504	1.9
157.10068	5.0
159.08084	1.6
159.11688	3.8
161.09641	7.7
161.13243	2.3
161.26305	1.1
163.11151	2.9
169.12239	5.4
171.11711	4.4
173.09590	2.1
173.13239	1.3
175.11185	4.6
177.09117	2.9
179.10667	2.8
185.13281	2.4
187.11169	1.1
189.12730	2.5
193.12209	1.3
199.11224	1.5
213.16199	1.4
215.12741	4.1
227.17969	2.1
237.16357	1.4
245.19048	5.7
251.12688	2.7
253.14351	100.0
254.14722	1.5
255.17526	5.0
263.20020	3.4
271.15457	5.1
273.18481	45.2
291.19553	31.5
309.20596	2.6
310.22711	1.0
329.20770	1.8
347.22110	10.8
349.76547	1.0
365.23239	30.1
421.25879	2.5
434.16150	1.2
449.25400	15.5
525.32178	1.6
543.33105	8.9
561.34283	9.5
608.13220	1.1
618.99799	1.0
637.40851	5.4
655.42029	20.5
656.42590	1.2
666.24182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.3
65.03949	0.7
67.05509	14.5
67.09435	0.7
69.03432	3.0
69.07078	5.0
71.01357	1.2
71.04984	4.4
71.57334	0.8
73.02911	2.8
73.03545	0.5
79.05495	21.2
81.03419	35.7
81.07059	19.1
81.83314	0.5
83.01337	3.9
83.04984	12.6
83.08623	16.2
85.02419	1.3
85.02906	19.2
85.06536	1.5
91.03970	5.3
91.05485	20.5
93.07049	17.3
95.04369	1.0
95.04970	15.2
95.08600	8.1
97.02885	8.4
97.06534	4.0
97.10163	3.5
99.04473	2.2
105.06377	1.2
105.07030	14.7
107.04964	6.8
107.08600	8.9
109.02872	0.8
109.06531	5.9
109.10162	1.6
111.04439	2.6
111.08085	6.4
113.06017	1.2
115.05487	0.7
117.07038	4.4
119.08592	13.0
121.06519	3.7
121.10144	8.1
123.08080	5.1
123.11756	1.3
125.05984	1.3
125.09649	1.2
127.03947	1.5
129.07013	7.5
131.03546	0.6
131.08565	7.0
133.06500	2.3
133.10138	6.6
135.08073	1.1
135.11708	5.8
137.09608	1.3
142.07759	1.8
145.05011	1.2
145.06561	0.7
145.10132	8.0
147.08049	2.8
147.11694	6.9
149.09627	4.5
153.12753	1.7
155.08501	1.3
157.10123	7.5
163.06052	1.6
163.11185	13.2
165.12775	1.8
167.06995	1.6
173.09697	1.5
175.11160	7.0
181.05009	1.5
181.12259	2.1
191.10706	1.8
193.12244	21.0
209.11693	3.1
211.11603	0.6
211.13300	30.4
227.12759	2.4
267.15878	8.6
283.15396	36.1
284.15845	1.0
285.16971	26.9
335.14404	0.8
365.21005	0.7
383.22256	2.0
457.25745	3.4
475.26999	14.1
493.27969	100.0
494.28235	3.6
637.31866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.8
67.05499	5.6
69.03448	3.4
69.07077	2.3
71.57444	0.8
73.02919	3.0
79.05489	4.9
79.05891	0.7
79.16871	0.9
81.03429	2.9
81.07069	5.7
83.04998	1.4
85.02901	4.0
86.09706	1.6
91.03976	2.4
91.05483	6.0
93.07048	6.5
93.24506	0.7
95.04982	2.1
95.08627	3.2
95.88058	0.7
96.48701	0.8
97.02916	4.5
97.06536	0.9
97.10184	0.8
101.02427	2.0
102.52969	0.7
105.07027	3.5
107.08609	2.3
109.10187	1.6
117.07041	0.9
119.08607	2.2
121.10194	1.9
124.99994	1.4
127.03959	1.2
129.07045	0.8
131.08694	1.2
133.10190	2.9
135.11748	1.3
145.10100	1.1
147.11700	1.5
163.11250	0.9
184.07353	6.6
185.07707	0.8
243.08540	2.9
301.09116	1.5
315.10995	1.0
333.20468	3.0
439.19083	1.1
453.21378	1.0
535.29340	3.8
551.28247	6.5
623.31165	0.8
623.49200	0.8
845.50214	100.0
846.50385	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	846.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.4
65.03938	2.0
65.24622	0.4
67.05508	22.2
69.03432	0.7
69.07070	4.6
71.04993	1.0
73.06554	1.1
77.03914	0.7
79.05496	35.6
80.05826	0.4
81.03423	5.2
81.07061	18.8
83.04980	6.0
83.08629	3.0
85.02925	2.2
85.06541	1.7
90.59212	0.4
91.03983	0.7
91.05485	29.1
92.05785	0.5
93.07050	36.3
95.04979	10.2
95.08612	11.4
97.02901	1.3
97.06523	2.1
97.10181	2.1
98.20988	2.1
99.08086	0.7
103.05492	0.7
105.04498	1.1
105.07034	21.9
107.04968	3.2
107.08599	8.4
109.06512	2.7
109.10173	1.4
111.08089	0.9
117.07010	4.6
119.08585	13.0
121.06528	2.0
121.10151	2.2
123.08088	3.0
127.03934	0.7
127.07603	0.7
128.06252	0.9
129.07008	10.2
129.07904	0.8
131.08582	1.6
133.06535	0.9
133.10123	5.3
135.08228	0.5
135.11674	1.1
143.08562	5.2
145.10109	5.4
147.08049	2.0
147.11690	19.1
159.11806	0.5
161.08453	0.4
161.09608	2.5
161.13260	6.7
163.11258	0.6
169.10205	0.5
171.11693	14.6
179.14310	0.9
189.12749	5.5
207.13818	15.2
225.14850	1.8
263.16455	1.3
281.17480	38.8
282.17841	0.9
377.24542	0.6
406.74557	0.4
421.86526	0.4
459.31342	0.6
469.29443	2.9
487.30563	100.0
488.30759	4.7
567.32996	0.8
631.34277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	1.4
61.02941	3.3
67.05505	5.8
69.03447	3.2
69.07076	4.0
71.57758	1.2
73.02918	2.8
73.22880	0.6
78.23120	0.7
79.05491	6.2
80.54155	0.6
81.02987	0.7
81.03432	2.1
81.07066	6.8
83.04984	1.3
83.08643	1.3
85.02891	3.9
86.09698	3.7
91.03979	1.4
91.05493	5.8
93.07032	4.3
95.04977	1.8
95.08611	4.4
97.02904	3.5
97.06575	1.1
97.10181	1.6
101.02368	1.6
105.07030	4.4
107.04990	1.0
107.08614	2.0
109.02883	0.8
109.10165	1.7
111.31429	0.7
117.07024	1.4
119.08622	2.3
121.06472	1.0
121.10154	1.5
125.00028	3.6
125.09660	0.8
127.03937	1.2
129.07085	0.6
131.08566	1.7
133.10162	2.8
135.11725	1.1
145.10153	1.5
147.11746	0.7
149.09625	0.8
149.76726	0.7
157.10158	0.9
184.07364	14.1
184.14024	0.6
185.07661	1.6
229.14459	0.8
239.17987	0.7
241.77217	0.7
243.08502	3.0
245.13988	0.7
275.19876	0.8
280.75644	0.7
313.27713	0.7
315.19360	3.2
333.20554	1.1
371.22217	1.0
389.23187	1.0
439.19446	1.1
453.21054	0.9
483.36966	0.8
484.37570	1.0
533.27258	8.2
551.28198	7.1
843.48602	100.0
844.48871	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	850.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.7
65.03946	2.1
65.41300	0.9
67.05508	40.2
69.03423	4.4
69.07066	8.7
71.04997	3.0
73.02906	1.9
73.06580	2.1
77.03939	1.2
79.05494	62.2
81.03419	44.2
81.03908	1.3
81.07060	41.0
83.04984	18.0
83.08620	17.5
84.75266	1.0
85.02914	17.3
85.06550	2.8
91.03947	3.5
91.05484	51.7
93.07044	54.2
95.04964	30.8
95.08604	18.7
95.09161	0.7
97.02895	5.5
97.06543	6.2
97.10163	4.6
98.20982	4.4
99.04488	1.6
99.08083	1.1
103.05529	1.8
105.04533	1.8
105.07032	38.6
107.04967	7.8
107.08595	17.0
109.06522	6.1
109.10162	4.5
111.04414	1.5
111.08095	7.2
113.06013	2.0
115.05476	1.6
117.07030	6.2
119.08583	27.7
121.06512	3.4
121.10143	8.1
123.08064	5.3
123.11766	1.4
125.09597	1.5
127.03915	1.4
127.07599	1.4
128.06216	2.0
129.07008	18.4
131.08575	9.3
133.06477	1.7
133.10135	15.1
135.11713	2.3
135.44661	0.9
137.09610	1.6
142.07797	2.7
143.08540	6.8
145.10121	9.1
147.08034	3.9
147.11687	35.5
149.09637	4.4
157.10117	9.9
159.11732	1.0
161.09630	3.1
161.13287	8.8
163.06006	1.6
163.11247	1.6
165.12764	1.9
171.11702	19.9
175.11214	8.4
189.12778	8.2
193.12260	24.0
207.13794	23.3
209.13580	1.0
211.00070	1.1
211.13301	25.2
225.14809	1.2
229.88182	1.0
249.14803	1.6
267.15912	33.0
281.17480	98.9
282.17822	1.4
285.16959	25.9
473.29016	100.0
474.29288	4.1
491.30045	94.4
492.30270	3.6
635.33685	2.3
805.53589	1.0
832.97321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.6
65.03930	7.7
67.05507	90.9
67.05871	5.0
69.03431	10.5
69.07071	33.3
71.04976	9.8
71.57376	3.9
79.05494	86.1
81.03434	15.1
81.07059	100.0
83.04983	16.3
83.08620	20.5
85.02900	5.3
85.06525	4.5
86.09701	5.0
87.04464	10.0
91.03974	2.4
91.05482	90.5
93.07046	95.0
93.33350	2.5
95.04961	18.5
95.08606	61.3
97.02879	4.3
97.06521	12.4
97.10174	8.1
99.08081	3.5
103.05466	5.6
104.53259	2.6
105.07028	91.6
107.04931	6.9
107.08595	50.2
109.06508	7.0
109.10149	26.3
111.08072	8.6
113.09649	4.2
115.05408	4.6
117.07034	34.7
119.08583	70.7
121.06510	8.0
121.10153	33.7
122.65974	2.5
123.08055	8.8
123.11687	9.2
125.09657	4.5
127.03917	3.2
128.06203	5.9
129.05487	3.0
129.07004	18.2
131.07018	2.7
131.08572	52.2
133.10129	60.9
133.11086	5.4
135.08072	9.2
135.11700	31.3
137.09641	3.2
140.48802	2.7
141.06985	3.7
142.07748	4.5
143.08572	19.7
145.10121	38.7
145.65170	2.5
147.08110	3.3
147.11684	39.6
149.09622	9.6
149.13258	20.1
151.11169	4.9
155.08556	10.1
156.09450	3.4
157.10175	18.5
159.08002	2.8
159.11713	33.1
161.09657	3.5
161.13261	22.5
163.11177	5.9
163.14827	4.0
167.08473	3.1
169.10121	9.6
171.11679	19.0
173.04486	3.1
173.09564	3.0
173.13295	16.7
175.11214	4.7
175.14876	7.2
177.12788	4.5
181.10086	5.0
183.11763	12.5
184.07367	10.8
185.11784	3.0
185.13301	14.5
187.11156	3.0
187.14835	7.4
195.11914	3.8
195.13792	5.8
197.13237	10.4
199.14821	8.1
209.13203	4.8
211.14816	3.9
213.16426	6.2
231.17430	2.8
231.21107	5.5
241.19508	20.0
247.20447	3.4
255.15820	13.9
257.19031	4.0
259.20566	49.6
261.22064	3.7
267.15735	4.8
269.17447	24.6
273.18478	3.1
275.20013	15.8
277.21561	3.8
315.23166	10.6
327.23312	2.7
333.24228	48.3
335.25870	4.2
341.24796	2.6
349.23779	10.0
354.24969	3.0
367.25043	5.2
435.32587	11.8
453.33481	5.9
471.35004	4.4
495.10751	2.8
509.36206	6.3
513.35730	18.0
527.37354	58.7
528.37555	3.9
545.38342	9.3
607.43671	19.5
625.44452	17.9
678.80774	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	1.4
61.02941	3.3
67.05505	5.8
69.03447	3.2
69.07076	4.0
71.57758	1.2
73.02918	2.8
73.22880	0.6
78.23120	0.7
79.05491	6.2
80.54155	0.6
81.02987	0.7
81.03432	2.1
81.07066	6.8
83.04984	1.3
83.08643	1.3
85.02891	3.9
86.09698	3.7
91.03979	1.4
91.05493	5.8
93.07032	4.3
95.04977	1.8
95.08611	4.4
97.02904	3.5
97.06575	1.1
97.10181	1.6
101.02368	1.6
105.07030	4.4
107.04990	1.0
107.08614	2.0
109.02883	0.8
109.10165	1.7
111.31429	0.7
117.07024	1.4
119.08622	2.3
121.06472	1.0
121.10154	1.5
125.00028	3.6
125.09660	0.8
127.03937	1.2
129.07085	0.6
131.08566	1.7
133.10162	2.8
135.11725	1.1
145.10153	1.5
147.11746	0.7
149.09625	0.8
149.76726	0.7
157.10158	0.9
184.07364	14.1
184.14024	0.6
185.07661	1.6
229.14459	0.8
239.17987	0.7
241.77217	0.7
243.08502	3.0
245.13988	0.7
275.19876	0.8
280.75644	0.7
313.27713	0.7
315.19360	3.2
333.20554	1.1
371.22217	1.0
389.23187	1.0
439.19446	1.1
453.21054	0.9
483.36966	0.8
484.37570	1.0
533.27258	8.2
551.28198	7.1
843.48602	100.0
844.48871	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97105	2.5
65.03920	7.3
65.80110	2.6
67.05506	98.0
69.03424	7.3
69.06776	2.6
69.07070	29.9
69.73009	17.1
79.05500	81.5
81.03429	14.8
81.07061	100.0
83.04985	14.4
83.08622	19.1
85.02910	8.7
85.06540	5.6
86.09718	3.5
91.05480	88.1
92.05788	3.6
93.07047	90.9
95.04958	15.9
95.08045	4.0
95.08617	62.7
97.02894	6.7
97.06541	12.6
97.10167	11.5
98.20795	5.6
98.21379	5.3
99.08116	4.3
103.05476	3.9
105.07034	76.7
106.07338	3.7
107.04958	4.5
107.08603	41.9
109.06503	9.1
109.10152	25.6
111.08084	7.3
115.05420	4.3
117.07022	34.3
119.08584	56.8
121.06519	4.2
121.10143	28.4
123.08079	5.6
123.11697	8.9
125.09624	8.1
127.03955	3.5
128.06226	7.4
129.07008	23.4
130.07774	4.8
131.08582	42.0
133.06500	4.7
133.10144	47.5
135.08043	5.5
135.11708	19.2
137.09628	5.4
137.13281	3.1
141.06955	5.7
142.07753	5.1
143.08580	24.0
145.10136	38.8
147.11703	29.6
149.09583	7.5
149.13272	13.4
151.11118	3.1
155.08546	12.4
157.10124	18.8
159.11699	30.0
161.09625	6.2
161.13306	14.5
163.11230	4.2
167.08597	7.3
169.10138	14.7
171.11691	23.0
173.11964	2.7
173.13222	15.4
175.11168	4.6
175.14807	5.4
177.12761	5.2
181.10114	8.1
182.11053	3.5
182.81807	2.5
183.11740	12.9
184.07346	11.3
185.13234	13.5
187.14851	7.4
189.16333	5.0
195.11705	10.4
197.13272	8.7
199.11311	2.4
199.14830	11.1
209.13396	6.1
211.14850	6.2
213.16417	6.4
223.14931	6.3
229.14368	2.8
235.15001	2.7
237.16438	4.6
241.19466	9.0
253.14348	3.6
257.19080	3.6
259.20538	25.4
261.22153	4.6
267.15866	5.8
267.53589	2.9
269.17490	5.2
271.20627	2.9
273.18469	8.6
275.19983	5.8
277.21716	4.0
285.16986	3.5
291.19556	11.7
293.21155	7.4
315.23264	4.7
323.55374	2.4
333.24280	21.1
335.25830	20.1
349.24564	3.1
365.23273	5.3
383.24130	4.9
435.32367	3.4
453.33832	3.4
501.35645	3.9
515.37781	3.3
527.37280	15.2
533.39941	2.8
545.38245	9.5
563.35852	3.0
607.43414	5.0
609.45135	33.3
625.44867	21.6
643.45355	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61346	2.4
65.03936	4.9
67.05504	92.3
69.03409	10.7
69.07063	37.2
69.43909	2.3
71.04983	8.6
71.18033	3.6
79.05495	95.3
80.05828	3.2
81.03436	13.2
81.07057	100.0
83.04985	17.7
83.08611	21.8
85.02898	8.3
85.06546	3.7
86.09710	4.3
91.04903	2.8
91.05482	90.9
93.07047	91.0
95.04943	15.4
95.08607	61.6
97.02886	5.0
97.06562	13.7
97.10162	6.5
98.21170	3.2
99.08059	6.7
103.05492	4.5
105.04498	3.5
105.07030	91.5
107.04942	9.2
107.08598	56.3
109.06531	9.4
109.10152	26.6
111.08057	7.8
115.05448	4.1
117.07023	38.9
119.08575	63.4
121.06520	5.6
121.10146	31.8
123.08062	6.7
123.11691	7.5
125.00040	3.3
125.09602	5.0
128.06215	7.2
129.05505	3.6
129.07011	20.6
130.07751	6.7
131.08565	45.2
133.10130	56.3
135.08057	7.0
135.11685	27.6
137.09586	2.7
141.06970	6.0
143.08562	23.7
145.10130	40.6
147.08086	5.8
147.11697	36.5
149.09612	9.5
149.13243	10.0
151.11195	4.1
155.08568	13.1
157.06554	2.6
157.10107	22.5
159.08084	3.3
159.11682	30.1
161.13261	26.2
163.11165	7.8
167.08565	5.7
169.10143	14.3
171.11711	23.8
173.04457	4.9
173.13225	15.7
175.11237	2.4
175.14832	5.9
177.12712	4.1
179.08513	2.6
181.10155	7.0
181.20451	2.5
183.11696	12.5
184.07333	9.5
185.11800	3.2
185.13252	15.1
187.14796	7.0
193.10191	5.0
195.11696	7.1
195.13713	5.1
197.13216	10.5
199.14874	7.0
201.12798	2.9
209.13295	5.4
211.14784	7.7
213.16536	5.6
215.17876	2.5
223.14796	3.7
231.21117	5.7
237.16257	3.9
239.18051	3.8
241.19521	17.3
244.82816	2.3
251.18152	3.3
255.15726	11.9
257.18958	6.1
259.20572	41.4
267.15967	3.3
269.17490	19.8
275.20099	13.6
309.22186	2.9
315.23126	6.0
325.25186	3.2
331.22595	2.9
333.24295	50.1
334.24445	2.9
349.23822	8.2
367.25171	3.4
414.98959	2.3
435.32660	6.6
449.72760	2.6
453.34012	5.1
459.32120	2.5
471.34897	3.6
489.35217	3.2
509.36536	2.9
513.35632	20.2
515.38104	7.0
527.37329	38.4
531.36548	5.3
545.38208	5.7
551.40973	2.9
607.43433	27.1
625.44543	17.6
769.49316	4.0
836.32263	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	840.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	3.6
61.02920	3.7
65.03941	2.6
65.67425	1.5
66.60131	1.7
67.05506	100.0
69.03428	8.2
69.06725	2.3
69.07076	31.6
70.60448	5.1
71.01351	2.3
71.05009	11.0
79.05492	49.8
80.05777	1.7
80.91480	1.7
81.03419	75.8
81.07061	76.6
82.07365	2.0
83.04975	13.0
83.08624	26.3
85.02914	7.3
85.06539	7.1
87.04488	2.9
91.03973	2.3
91.05480	48.5
93.07050	41.4
95.04379	2.1
95.04971	31.3
95.08610	27.3
97.02882	7.5
97.06541	14.2
97.10156	10.5
98.21169	3.1
99.04459	2.9
103.05471	2.6
105.07033	29.9
107.04968	13.7
107.08590	33.4
109.06522	9.4
109.10156	48.1
111.04436	3.6
111.08129	9.6
115.05453	2.8
117.07059	10.7
118.29890	1.8
119.08585	28.0
121.06515	9.2
121.10143	20.9
123.08047	6.7
123.11721	6.0
125.06094	1.9
125.09618	11.7
127.03920	2.8
128.06200	2.1
129.05476	2.7
129.06995	12.2
131.04846	1.8
131.08566	19.8
133.06468	5.7
133.10132	18.6
135.08066	5.8
135.11667	11.2
137.09618	11.4
142.07796	3.4
143.08557	6.5
145.04839	1.9
145.06494	3.0
145.10156	11.0
147.08029	5.0
147.11667	14.9
149.09618	17.7
149.13248	9.3
151.11198	4.1
153.09067	2.0
155.08560	2.5
155.10645	2.8
157.10147	9.8
159.08035	3.1
159.11729	10.9
161.09613	3.2
161.13275	3.4
163.11241	9.2
165.12836	2.3
167.06990	2.7
169.09982	2.3
171.11717	5.0
173.09671	3.0
173.11798	12.2
173.13144	3.4
175.11206	9.2
177.12762	4.9
184.07455	2.4
185.13341	3.3
187.11351	2.2
189.11238	4.0
189.12825	2.3
191.10683	2.2
193.12241	27.1
195.13823	4.1
197.13203	1.9
203.14444	2.4
211.13306	6.2
219.13812	1.9
220.46722	1.7
227.12770	10.7
229.14340	44.8
243.15996	4.0
249.14825	4.1
257.19077	3.1
259.15472	2.7
267.15918	75.7
269.17505	14.4
275.20013	13.7
291.19449	4.2
299.18036	1.9
329.21170	5.9
347.22217	2.1
349.23764	11.5
355.22696	2.7
365.23221	2.8
367.24951	4.4
373.18442	2.3
383.24127	6.1
385.23685	2.3
386.45651	1.9
400.23795	1.9
403.24603	4.9
421.25790	38.2
423.27554	2.1
435.27383	7.0
437.29056	31.1
443.27707	3.7
447.27371	13.2
449.29337	3.0
451.26855	1.9
461.29028	18.7
463.30856	13.0
465.29749	1.7
467.30396	1.9
479.30231	3.8
481.31525	10.8
485.33063	2.2
493.31427	7.1
503.33746	2.5
541.35272	26.8
542.35242	3.1
557.34601	4.2
559.36169	17.0
575.35254	2.6
584.69659	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.1
67.05509	56.3
69.03422	3.8
69.07072	44.2
70.29198	4.3
71.04990	4.2
71.61469	1.2
73.02919	1.7
74.89802	1.4
79.05496	48.6
81.03426	10.3
81.07060	77.0
83.04999	9.9
83.08618	10.3
85.02936	1.2
85.06564	2.8
86.11160	1.2
87.04478	7.9
91.05487	65.3
93.07054	47.8
95.01346	8.0
95.04978	13.9
95.08042	2.8
95.08617	34.4
97.02927	2.4
97.06538	32.9
97.10166	5.3
98.21226	2.5
99.08110	2.3
103.05496	3.2
105.07036	91.2
107.04963	21.6
107.08604	28.1
109.02876	1.9
109.06519	7.0
109.10152	10.6
111.08093	2.9
113.06003	1.3
115.05441	1.8
117.07013	20.8
119.04944	1.4
119.08585	41.1
119.09450	2.0
121.06495	5.3
121.10141	11.8
123.04398	1.6
123.08092	3.9
123.11703	3.2
124.99995	1.4
125.09599	1.7
127.03913	2.8
128.06195	1.5
129.06946	6.5
131.08571	28.5
133.06506	1.8
133.10135	47.2
133.74405	1.3
135.08049	4.1
135.11707	13.9
136.06175	5.5
137.02336	1.4
137.09659	3.8
139.07518	2.9
141.07008	2.7
143.08566	5.3
145.04970	1.5
145.06499	3.7
145.10129	19.1
147.11687	20.9
149.09627	12.3
149.13275	7.1
151.11229	3.5
155.08553	3.1
157.10129	4.9
159.08096	1.3
159.11696	15.8
161.13326	8.3
163.11183	9.2
165.09106	2.9
169.10126	4.2
171.11732	4.0
173.04495	2.0
173.13274	6.3
173.69252	1.3
175.11203	1.7
177.12791	6.3
179.14313	15.7
180.97070	1.2
183.11684	3.1
184.07333	6.8
185.13344	2.0
187.11281	4.5
193.12318	1.5
195.13843	3.6
197.13298	3.7
205.12248	1.8
208.07704	1.3
215.17900	1.5
227.12759	1.4
229.19446	1.9
239.18019	3.9
239.31335	1.4
247.20782	1.9
251.16505	1.8
255.15723	6.5
257.18951	11.2
267.15942	1.7
269.17471	23.2
275.20078	100.0
276.20441	1.7
279.16000	2.2
293.21249	9.0
331.22571	3.9
349.23755	54.6
367.24948	5.2
413.21655	2.0
503.33075	2.4
527.36774	1.8
529.35260	31.2
530.35632	2.4
534.54572	1.5
543.36823	89.3
544.36932	5.6
583.39789	1.8
595.42944	2.4
605.41559	2.7
623.33179	2.2
623.43097	34.3
624.43195	2.4
641.44360	7.8
687.40857	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.9
61.63418	2.5
65.03934	5.4
65.92725	2.5
67.05505	62.3
69.03438	12.4
69.07077	36.5
69.43907	19.5
71.04975	4.6
79.05495	51.7
81.03419	9.1
81.07059	50.3
83.04998	5.3
83.08622	15.4
83.63208	2.5
86.09715	8.3
87.04465	10.5
87.28288	2.9
91.05482	54.5
93.07050	55.0
95.04959	14.4
95.08617	31.0
97.02906	7.9
97.06525	8.2
97.10167	23.8
105.07033	55.2
107.04979	8.0
107.08608	30.5
109.06533	5.7
109.10165	16.3
111.08096	5.1
117.07037	16.9
119.08591	48.2
121.06544	4.2
121.10165	15.7
123.08096	3.9
123.11655	3.1
125.00014	6.6
125.09647	13.3
128.06216	4.0
129.07027	13.8
130.07892	2.7
131.08582	27.3
133.06473	3.9
133.10135	32.1
135.08063	7.5
135.11659	12.3
136.06181	7.2
141.06998	4.4
142.07813	3.1
143.08575	11.0
145.10127	19.3
147.08060	8.9
147.11711	29.8
149.09647	6.3
149.13278	10.4
155.08534	3.4
157.10175	12.8
157.11305	2.7
159.11678	16.9
160.24782	2.8
161.13335	13.4
163.11232	3.8
169.10153	4.2
171.11644	15.8
173.11848	4.0
173.13318	8.8
175.11273	4.4
175.14888	7.2
183.11681	6.2
184.07312	32.8
185.13252	7.4
189.11234	5.1
197.13306	5.5
199.14807	5.5
213.16339	3.4
223.13223	14.5
227.12718	13.4
239.18137	3.1
241.19557	11.9
259.20581	38.9
273.18521	10.0
275.20065	14.8
291.19550	100.0
315.23138	2.8
333.24216	40.6
339.53873	3.1
349.23819	7.0
365.23251	38.1
424.39780	2.5
508.24536	3.5
513.36566	3.0
525.35614	7.6
543.36823	20.0
596.28674	2.9
605.42267	4.2
623.43109	45.9
624.43542	3.7
641.43628	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	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57800	1.7
65.03927	5.6
67.05508	79.9
69.03445	4.5
69.06716	2.2
69.07068	28.4
69.65054	11.0
70.74232	1.4
71.04982	7.5
73.87898	1.5
75.79234	1.4
77.03874	1.9
79.05495	64.1
81.03410	8.6
81.07059	81.4
83.04980	13.0
83.08629	10.0
85.02909	1.7
85.06536	5.3
86.09736	1.7
87.04471	3.9
87.25114	1.6
91.05482	100.0
92.05793	2.1
93.07050	67.9
95.04980	16.8
95.08039	3.1
95.08607	41.2
97.02919	2.4
97.06519	8.2
97.10174	4.5
98.21233	6.5
99.04448	2.0
99.08118	2.5
103.05464	3.3
105.04554	2.0
105.07037	92.0
106.07357	2.6
107.04918	8.7
107.07868	2.6
107.08592	46.2
109.05305	1.7
109.06499	10.7
109.10159	50.9
111.08097	8.2
113.06028	3.0
115.05427	3.7
117.07021	22.4
119.08587	54.1
121.06513	7.2
121.10162	20.5
123.08082	5.2
123.11698	11.1
125.06017	2.7
125.09642	3.4
128.06256	5.4
129.07005	16.6
130.07735	2.3
131.08572	31.9
133.06580	4.0
133.10136	92.6
135.08064	5.2
135.11690	18.8
137.09601	2.8
141.07043	2.7
142.07739	2.4
143.08569	14.3
145.10117	27.3
147.08041	4.5
147.11696	30.2
149.09630	6.9
149.13235	5.9
151.11188	27.1
153.09090	1.8
153.12762	1.9
155.08548	6.6
157.10143	12.3
159.08081	2.1
159.11736	15.3
161.09651	9.6
161.13248	21.1
163.11185	3.0
163.14893	2.4
169.10127	8.3
169.12233	5.9
171.11682	12.0
173.13177	7.9
175.11203	3.9
175.14911	7.7
177.12721	3.0
179.10689	2.6
181.10234	1.6
183.11649	3.6
184.07364	5.6
185.09595	2.4
185.13235	9.4
187.11269	2.5
187.14842	4.3
189.12662	1.9
193.10153	2.4
197.11589	1.9
197.13235	3.4
199.11136	2.4
199.14812	3.9
209.13329	2.4
211.14621	2.0
213.16269	3.6
215.12843	2.5
224.78816	1.9
227.18031	3.4
229.19507	1.9
231.21028	5.7
237.16440	2.5
239.14183	1.8
241.19608	15.5
253.14354	63.2
254.14587	2.2
257.19022	2.7
258.09283	2.0
259.20575	44.1
263.20206	2.5
269.21994	1.7
271.15393	2.9
273.18634	11.8
275.20056	4.7
289.17880	3.4
291.19522	15.2
313.21692	2.3
315.23120	8.7
327.23099	2.1
333.20346	3.2
333.24246	44.9
341.84067	1.8
347.22083	3.1
353.28384	2.0
365.23322	23.0
409.31448	2.1
419.29059	2.1
437.30228	4.0
455.31757	2.9
457.88892	1.8
479.36823	2.3
511.34219	11.0
513.36774	1.9
529.35156	16.4
531.38531	4.0
543.36401	2.0
549.39532	4.6
595.42822	2.4
605.41669	6.7
623.43066	33.8
624.43207	2.1
641.43475	5.5
752.58612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02683	0.6
61.02932	6.0
65.03938	1.6
67.05505	37.6
69.03430	3.4
69.06710	1.1
69.07071	14.1
70.83559	1.2
70.83902	1.0
71.01334	0.9
71.04994	4.9
73.02912	1.7
79.05496	25.9
81.03421	36.9
81.07060	51.1
83.04988	10.0
83.08134	1.1
83.08625	20.7
85.02907	18.2
85.06537	3.0
91.03967	4.0
91.05486	24.8
93.07049	35.7
94.07380	0.8
95.04972	16.8
95.08610	13.4
97.02900	5.3
97.06535	7.4
97.10159	2.2
98.21158	0.9
99.04448	1.1
99.08086	2.7
105.04549	0.9
105.07036	15.2
107.04971	4.6
107.08598	20.9
109.02924	0.7
109.06520	4.1
109.10159	2.0
111.04446	1.3
111.08096	7.9
113.06001	1.5
115.05460	0.8
117.07026	5.1
119.08589	12.6
121.06522	1.3
121.10149	15.4
122.10573	0.7
123.08042	1.4
123.11707	1.1
125.09669	0.8
127.03938	1.4
129.07021	5.9
131.08572	9.8
133.06506	2.6
133.10143	9.1
135.03406	0.6
135.08026	1.3
135.10799	0.6
135.11668	3.6
137.09669	0.9
142.07793	1.9
145.04958	1.3
145.10181	1.4
147.08093	1.4
147.11685	9.5
149.09622	4.3
149.13261	19.5
151.11292	0.8
157.10168	7.8
159.11716	8.6
163.05994	1.5
165.12776	1.9
167.07043	0.9
167.14410	0.9
168.97882	0.7
175.11211	8.3
177.12769	4.4
189.54277	0.6
193.12245	25.0
195.13826	5.7
208.90416	0.7
211.13292	28.3
249.14790	0.7
267.13046	0.7
267.15933	20.5
269.17477	72.4
270.17899	2.0
285.16977	19.8
299.45581	0.8
386.68713	0.7
422.16821	0.7
435.27316	2.4
461.28998	46.0
462.29300	1.3
479.30051	100.0
480.30228	4.6
623.34052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	8.6
67.05170	5.6
67.05508	88.2
69.03424	6.2
69.07066	31.1
69.86362	6.1
69.86765	12.3
71.04994	8.4
74.70490	2.9
75.65060	3.6
79.05496	76.4
81.03416	6.8
81.07061	95.0
83.04984	16.4
83.08632	14.2
85.02912	4.2
85.06545	7.3
86.09719	5.6
87.04472	5.2
91.05489	85.8
91.85381	2.9
93.07056	75.7
95.04974	19.3
95.08614	48.6
97.06522	10.3
97.10159	7.7
97.52698	3.2
98.20986	8.4
103.05470	3.7
105.07035	100.0
107.04955	12.5
107.08598	56.9
109.06529	11.0
109.10168	56.0
111.08081	6.9
111.11765	3.4
117.07020	27.8
119.08588	69.8
121.02951	2.8
121.06487	10.1
121.10159	24.3
123.08083	6.7
123.11703	9.1
124.99966	3.6
125.09659	4.8
129.07014	19.2
131.08563	38.3
133.06505	7.3
133.10135	81.4
135.08041	13.0
135.11693	18.9
137.09564	4.1
141.07005	5.3
143.08574	11.5
145.06551	4.4
145.10135	26.1
147.08142	5.7
147.10596	4.2
147.11708	31.5
149.09657	9.1
149.13266	10.4
151.11188	23.8
155.08577	6.3
157.10104	15.3
159.08061	5.5
159.11684	19.5
161.09642	10.4
161.13271	24.0
163.11185	9.4
169.10147	4.9
169.12283	4.2
171.11694	15.0
173.13283	11.4
174.48531	3.0
175.11218	5.0
175.14838	9.6
183.11717	7.6
184.07307	15.6
185.13260	8.2
187.14891	4.0
195.11803	3.6
197.13318	4.4
199.14842	4.7
209.13376	4.4
214.99612	2.7
215.17885	4.2
239.18207	3.3
241.19543	15.6
245.19234	3.2
253.14351	46.6
257.19028	6.6
259.20612	37.3
263.20322	4.5
273.18558	14.3
275.20050	8.7
283.15323	8.9
291.19498	21.5
309.20438	3.3
315.23178	5.3
333.24164	29.7
335.25775	21.5
349.23813	5.4
365.23285	24.7
381.22708	3.7
455.31256	5.1
501.35471	3.9
511.34113	10.6
513.36700	4.6
529.35181	15.3
531.37836	6.7
543.36719	23.3
549.39252	3.8
595.42480	3.3
605.42035	11.9
623.42981	47.8
624.43341	3.6
636.39966	3.5
641.43890	17.3
747.58429	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.7
67.05506	68.8
69.03428	6.6
69.07079	36.2
71.04987	5.0
71.08633	5.0
73.02893	2.8
79.05497	70.5
81.03436	14.0
81.07060	79.7
83.04979	28.6
83.08620	15.9
85.06541	3.8
87.04477	5.7
91.05487	85.5
93.07047	74.6
95.01343	4.8
95.04979	21.8
95.08608	56.2
95.09164	5.4
97.02917	4.5
97.06528	31.8
97.10164	12.9
98.20840	12.5
98.21526	6.8
99.08108	4.9
105.07034	100.0
106.07339	3.2
107.04971	24.2
107.08599	33.2
109.06488	6.7
109.10212	15.9
111.04471	3.9
111.08094	6.8
117.07018	23.8
119.08585	63.0
121.06510	12.8
121.10134	19.4
122.05184	3.3
123.08077	8.1
123.11700	3.6
125.09644	9.0
128.06242	3.5
129.07008	8.0
131.08580	31.2
133.06407	3.1
133.10144	41.7
134.10390	2.8
135.08044	11.3
135.11693	15.8
137.09642	7.7
141.06976	5.5
142.07840	2.8
143.08543	5.0
145.06453	3.0
145.10129	26.4
147.11679	22.1
149.09639	9.4
149.13242	7.1
149.85934	3.1
151.11211	4.4
157.10143	8.7
159.11691	19.2
161.13245	13.2
163.11198	9.8
165.98187	2.8
169.10184	3.8
171.11742	7.3
173.13322	4.7
177.12802	5.6
179.14351	19.9
183.11647	3.9
184.07364	13.3
185.13316	5.6
189.11284	5.0
227.12762	4.2
239.17953	3.5
241.19467	6.9
255.81215	3.4
257.18951	9.2
259.20685	9.8
261.18402	3.1
269.17548	9.8
271.17044	5.7
275.17258	5.9
275.20096	81.4
275.23087	4.8
276.20322	5.7
277.21597	8.5
279.15991	3.7
283.15338	8.3
289.18008	12.7
291.19498	12.4
293.20990	5.3
333.24179	19.2
335.25839	43.4
349.23749	35.7
350.24216	5.1
351.25369	5.3
363.21646	10.3
365.23196	5.2
367.24594	4.2
381.22769	5.0
437.10703	3.1
530.89929	3.4
543.36700	37.7
544.36310	3.9
607.43555	20.2
623.43005	33.4
641.44061	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.7
65.03941	1.9
67.05507	38.8
69.03424	3.9
69.07069	11.4
70.81880	1.4
71.04996	4.4
73.02908	2.5
79.05493	30.4
81.03420	42.5
81.07059	46.8
83.04987	12.1
83.08621	21.1
85.02419	1.3
85.02908	20.6
85.06541	3.1
87.04445	0.8
91.03957	5.1
91.05481	24.2
91.96746	0.8
93.07048	34.7
95.04976	17.9
95.08611	11.4
97.02895	7.4
97.06537	8.2
97.10172	3.4
98.21201	1.3
99.04443	1.4
99.08096	2.2
105.07034	16.4
107.04966	4.6
107.08594	18.9
109.02924	0.8
109.06520	3.9
109.10175	2.7
111.04423	1.8
111.08089	9.6
113.06007	1.9
115.05476	1.1
117.06995	4.5
119.08591	13.1
121.06541	1.7
121.10148	12.9
123.08096	1.4
123.11710	2.4
125.06028	0.9
125.09579	1.2
127.03925	2.0
127.07584	1.0
129.07008	7.3
131.08562	11.5
133.06497	1.5
133.10129	11.2
135.08131	0.9
135.11752	5.2
137.09651	1.0
139.11156	1.2
142.07750	1.5
145.04961	1.8
147.08115	2.1
147.11691	11.0
149.09627	4.6
149.13271	15.4
155.08632	0.9
157.10124	8.9
159.11705	7.8
163.06010	2.2
165.12772	2.7
175.11206	10.0
177.12721	3.9
193.12245	28.5
195.13789	5.4
197.77148	0.8
211.13298	35.4
246.92390	0.8
249.14877	1.4
257.23672	0.8
267.15912	31.9
269.17487	55.7
270.17831	2.5
272.29834	0.8
285.16959	30.5
295.46454	0.7
435.27280	2.7
443.27362	1.4
461.29016	80.0
462.29361	4.3
479.30063	100.0
480.30383	3.6
587.31769	1.3
623.34076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.2
65.03937	1.0
67.05505	20.3
69.03432	0.8
69.07067	5.9
70.06617	0.4
71.04985	1.7
71.57737	0.4
71.58072	0.4
73.02917	1.0
77.80748	0.4
79.05493	21.9
81.03426	2.8
81.07058	21.1
83.04988	4.3
83.08619	5.1
85.02909	2.6
85.06551	1.3
91.03960	1.0
91.05482	15.1
93.07047	24.2
95.04971	5.7
95.08607	9.1
97.02914	1.3
97.06535	3.3
97.10168	1.4
98.21410	0.5
99.08123	0.4
105.04523	0.5
105.07031	10.1
107.04971	1.6
107.08589	9.9
107.09287	0.6
107.21682	0.4
108.80177	0.4
109.06538	1.7
109.10197	1.9
111.08089	2.3
115.98002	0.4
117.07020	3.1
119.08591	5.5
121.06523	0.9
121.10137	4.9
123.08074	1.2
123.11758	0.6
125.09639	0.4
127.03973	0.6
128.06235	0.6
129.07001	4.2
131.08580	2.4
133.10129	3.9
135.08012	0.5
135.11696	1.8
143.08565	2.5
145.10092	3.1
146.10417	0.5
147.08038	1.1
147.11690	9.2
149.13240	6.4
157.10229	0.5
159.11684	3.2
161.09612	0.8
161.13260	3.0
163.06027	0.9
163.11314	0.6
171.11703	5.8
177.12788	1.3
189.12732	3.0
193.12367	0.4
195.13731	1.9
207.13820	7.6
225.14838	0.6
261.49347	0.5
269.17484	20.0
270.17889	0.5
272.23041	0.4
281.17468	17.5
457.29291	0.6
475.30591	100.0
476.30890	3.1
619.34302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	40.6
69.03426	3.9
69.07079	17.3
71.04991	7.2
71.08635	21.6
71.58494	1.9
73.04769	2.2
79.05499	20.2
81.03421	8.0
81.07063	49.7
83.04983	3.8
83.08632	15.6
85.02908	3.0
85.06547	2.3
85.10183	12.3
86.07076	1.9
86.09706	3.2
88.18517	1.9
91.05443	15.9
93.07051	26.3
95.04981	4.8
95.08620	29.1
97.06532	8.1
97.10156	5.8
105.07046	11.1
107.04959	3.7
107.08607	13.9
109.02908	2.5
109.06508	3.8
109.10167	21.1
111.08092	2.6
117.07027	7.7
119.08578	6.4
121.06518	2.9
121.10153	5.6
123.08055	2.3
123.11711	6.4
124.99975	3.7
125.09611	2.4
127.03917	2.9
129.07031	3.2
131.08591	9.8
133.10147	9.3
135.08076	4.5
135.11696	5.8
145.10124	3.9
147.11690	4.2
149.09627	6.6
149.13254	8.0
159.11719	7.8
163.11229	3.9
171.11790	2.8
173.11769	2.3
173.13148	2.1
177.12653	3.0
184.07388	15.7
227.12817	2.9
229.14337	14.8
229.19649	2.3
235.51968	1.8
239.23730	2.6
251.20569	1.8
257.18945	2.7
269.17493	4.4
275.20120	12.6
313.27377	55.1
314.28073	2.2
327.29419	2.2
331.23102	2.1
339.18021	5.5
349.23779	11.1
413.21597	12.7
467.37408	14.3
471.06372	2.1
507.40469	100.0
508.40842	4.4
587.46637	17.1
589.30035	2.2
605.47736	3.2
619.49152	7.5
651.44617	7.8
679.83606	2.1
863.61353	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	836.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.2
61.02927	11.7
61.46481	1.1
65.03943	1.5
67.05505	31.7
68.13072	1.0
69.03425	5.9
69.07076	9.6
70.13217	3.1
71.01362	1.1
71.05006	4.7
73.02915	3.9
76.88641	0.9
79.05496	25.9
81.03422	78.6
81.06578	1.9
81.07062	37.2
83.01354	1.7
83.04988	12.3
83.08622	24.7
85.02906	23.1
85.06555	2.5
87.60843	0.9
91.03962	8.4
91.05489	26.6
91.06069	1.4
93.07050	26.9
95.04977	27.6
95.08601	10.5
97.02889	12.5
97.06544	6.7
97.10166	5.1
98.21067	2.5
99.04452	2.1
99.08098	1.3
105.07031	22.0
107.04963	12.6
107.08600	15.9
109.06526	6.7
109.10143	5.0
111.04443	2.5
111.08102	8.1
113.06018	1.5
115.05470	1.2
117.07052	6.8
119.04942	1.4
119.08592	15.4
121.06503	4.8
121.10142	11.9
123.04420	1.2
123.08085	5.1
123.11683	3.0
125.09644	4.5
127.03893	3.6
129.07024	10.0
131.04930	1.8
131.08582	11.9
133.06496	3.4
133.10138	12.5
135.08069	2.8
135.11662	5.0
137.09601	1.9
141.06972	1.5
142.07797	2.6
143.08620	1.4
145.04976	3.6
145.06482	3.2
145.10129	7.3
147.04402	1.3
147.08063	4.5
147.11700	10.0
149.09621	8.0
149.13286	5.8
151.11235	1.5
155.08560	1.5
157.10147	10.6
159.11693	2.8
163.06055	2.5
163.11206	9.0
165.12801	1.8
171.08131	1.1
171.11551	1.1
173.09613	2.1
175.11197	9.8
181.12254	1.4
185.13187	1.1
189.11220	1.1
193.12256	28.3
195.11757	1.2
195.13811	2.1
207.13828	1.5
209.11795	1.8
211.13264	14.3
211.14993	1.4
227.12695	2.1
229.14380	2.3
249.14886	2.1
253.14328	3.0
255.13799	1.7
267.15930	85.6
268.16058	1.3
269.17484	12.6
273.14859	4.0
283.15399	19.6
285.16962	15.9
301.14233	1.6
309.17007	1.4
341.21283	1.4
349.21710	3.0
367.22601	9.0
385.23709	10.0
403.24835	2.2
406.63303	1.2
425.16196	1.0
433.25977	12.8
441.26361	4.7
459.27457	56.5
460.27792	2.3
477.28482	100.0
478.28790	3.7
501.28638	1.7
519.29761	1.3
520.01709	1.3
585.30951	1.4
603.31714	1.4
621.32623	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	836.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.7
65.87451	1.7
67.05167	3.2
67.05511	59.4
67.05869	3.6
69.03446	4.7
69.07072	35.4
79.05496	49.6
81.03428	11.9
81.07064	76.8
83.04995	10.2
83.08604	9.4
85.06545	5.1
91.05486	78.8
93.07053	42.2
95.01340	8.7
95.04983	14.4
95.08607	35.0
97.02926	2.2
97.06538	29.0
97.10151	3.1
103.05465	2.1
105.07040	100.0
107.04973	22.0
107.08601	33.9
108.14973	1.7
109.06532	8.7
109.10163	31.4
111.08054	5.0
113.06034	1.9
115.05476	4.3
117.07043	20.7
119.08590	41.7
121.06515	9.9
121.10188	11.2
123.04472	2.1
123.08071	3.2
123.11705	6.7
125.09626	3.4
128.06172	1.9
128.48065	1.9
129.07048	5.8
131.03287	1.7
131.08580	26.4
132.17381	1.8
133.06497	5.1
133.10143	77.6
135.08066	8.9
135.11719	9.1
137.09599	5.5
139.07530	3.9
141.06982	3.8
143.08563	7.6
145.10130	22.2
147.08064	4.0
147.11693	17.8
149.09619	10.7
149.13271	5.6
151.11206	18.6
155.08571	2.8
157.10176	6.3
159.08118	3.2
159.11732	11.9
160.11226	5.3
161.09642	5.8
161.13261	7.3
163.11171	6.3
169.10184	2.2
171.11736	4.7
173.09711	2.0
173.13385	4.3
175.11113	2.9
177.09172	2.3
177.12775	3.4
179.10799	2.0
179.14294	12.1
183.11682	2.8
184.07368	7.7
185.13348	2.7
187.11191	3.3
189.12769	3.1
213.16293	3.1
245.19054	2.4
247.20554	4.0
251.12807	4.4
253.14355	66.5
255.17508	2.2
257.19016	7.7
258.08997	7.2
267.15671	2.3
273.18497	20.6
275.20084	93.1
276.20273	2.9
279.16150	2.0
284.12323	1.8
288.37506	1.9
291.19513	20.8
293.21201	4.5
309.20670	2.9
347.22000	9.9
349.23743	44.6
365.23245	34.7
469.42734	1.8
527.33832	3.3
543.33289	3.3
545.34882	10.2
581.78796	2.0
621.41187	13.3
639.42560	90.1
640.42798	5.3
725.81213	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	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	3.1
60.08139	2.7
61.02647	0.8
61.02923	10.8
62.84756	0.6
65.03916	1.0
67.05505	70.4
69.03397	2.2
69.07072	7.2
70.91534	1.5
71.04964	2.7
71.07359	1.8
71.08632	21.0
73.02911	3.6
79.05470	1.9
81.03401	1.1
81.07056	15.9
83.04968	0.8
83.08620	12.0
85.02911	10.8
85.06519	1.8
85.09713	0.9
85.10180	12.1
86.09708	11.4
87.04435	0.7
89.06013	1.2
91.03954	7.3
91.05476	5.4
93.07036	3.9
95.08608	16.7
97.02896	6.0
97.10159	4.0
98.21249	1.1
98.98438	1.1
99.04424	0.8
99.08068	1.1
103.07567	1.3
104.10719	1.9
107.08554	1.8
109.10158	69.2
111.08057	2.3
119.08594	4.9
123.11716	3.1
125.00004	7.7
127.03892	3.0
131.89053	0.7
137.09592	3.2
137.13278	1.1
145.04974	3.6
155.10605	3.8
163.06007	4.0
173.11740	18.7
184.07346	37.0
229.14355	87.3
230.14755	1.5
239.23706	1.9
257.24786	2.5
313.27359	79.0
314.27682	2.8
367.03024	0.6
467.37329	100.0
468.37704	3.9
570.91241	0.8
611.41400	1.1
764.99207	0.6
826.51227	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02266	0.4
59.05002	2.3
61.02927	8.6
65.03942	1.1
66.72892	0.4
67.05505	56.7
69.03432	1.6
69.07063	5.9
70.82798	1.0
70.83147	0.5
71.04988	2.1
71.08633	14.9
73.02908	3.2
73.06557	0.4
79.05499	1.6
79.46859	0.4
81.03426	0.9
81.07058	14.6
81.24989	0.4
83.08617	8.7
85.02907	11.0
85.03416	0.6
85.06543	2.0
85.10180	10.5
86.09692	0.6
89.06036	0.6
91.03957	6.8
91.05474	3.5
92.23119	0.6
93.07067	2.2
95.08606	15.0
95.09229	0.7
97.02896	5.4
97.10172	2.9
98.21075	0.6
99.04485	1.0
99.08105	0.6
99.11761	0.8
101.86092	0.4
103.07628	0.5
107.08607	0.8
109.02911	0.5
109.10156	58.6
110.10478	0.5
111.08073	2.4
111.11730	0.7
119.08596	3.2
123.11690	2.0
125.13399	0.5
127.03897	2.5
127.11248	0.5
137.09612	2.5
137.13258	1.0
143.80887	0.4
145.04961	2.9
155.10658	3.4
162.54359	0.4
163.06033	3.8
173.11742	16.9
184.07391	1.6
211.29869	0.4
229.14355	100.0
230.14787	1.1
239.23689	1.8
257.24796	1.6
292.91904	0.4
313.27356	75.1
314.27777	1.3
314.47287	0.4
373.18521	0.5
399.51758	0.4
467.37338	63.1
468.37854	2.3
611.41937	0.6
773.88519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.3
58.96472	1.0
58.96778	0.9
61.02909	1.9
65.03941	5.6
67.05507	89.9
67.18965	0.9
68.05814	1.3
69.03441	9.2
69.06724	1.9
69.07071	28.8
69.99776	0.9
70.00097	4.8
71.04987	5.6
71.08625	1.9
73.02916	1.7
79.05493	65.1
81.03414	9.9
81.07058	100.0
82.07397	1.3
83.04989	10.8
83.08615	13.5
85.02893	5.7
85.06512	3.2
86.09691	6.5
91.03940	1.4
91.05479	50.7
93.07045	78.4
95.04973	11.6
95.08607	58.1
97.02924	5.4
97.06531	14.9
97.10163	6.1
98.21096	2.8
99.04445	2.8
99.08091	4.6
99.48544	1.0
103.05450	1.4
105.04500	2.3
105.07035	37.7
107.04964	5.1
107.08595	40.4
109.02871	2.6
109.06503	5.9
109.10161	22.0
111.04403	2.3
111.08080	5.8
113.09659	1.8
115.05449	2.0
117.07021	17.3
119.08584	28.1
121.06493	3.7
121.10149	31.4
123.08076	5.5
123.11751	7.2
124.99984	4.5
125.09621	3.5
127.03906	3.4
128.06235	1.4
129.05473	2.0
129.06998	5.1
130.07819	1.4
131.07587	1.7
131.08569	26.2
133.06448	1.7
133.10139	22.6
135.08076	3.6
135.11697	23.3
137.09605	2.2
137.13252	1.6
141.06993	1.5
143.08549	3.4
145.10133	16.9
147.11684	14.2
149.09618	8.9
149.13281	11.9
151.11180	2.7
155.08537	2.1
157.10118	4.1
159.11696	14.6
161.09616	1.9
161.13248	7.6
163.11200	6.5
163.14830	1.9
168.53215	1.2
169.10126	2.4
171.11714	3.6
173.04440	3.5
173.13225	6.5
175.11179	1.7
175.14781	2.2
177.12701	4.1
179.14302	2.3
183.11690	3.5
184.07350	21.1
185.07648	3.0
185.13333	1.6
187.14790	2.7
189.11221	1.1
189.16322	1.3
195.13779	4.0
197.13268	2.0
199.14824	1.4
201.12840	1.4
201.16383	1.1
204.40862	1.0
213.14789	1.4
217.15784	1.2
224.41290	1.0
227.12790	2.3
229.19508	1.6
239.17879	3.2
243.21083	3.4
247.20580	2.0
255.15904	8.3
257.19052	5.9
259.20557	2.1
261.22183	10.1
267.15976	1.4
269.17471	23.4
275.20062	21.3
293.21078	2.3
317.24554	2.7
321.24420	1.2
331.22931	1.8
335.25806	92.1
336.26059	4.1
349.23709	18.0
350.03900	1.0
367.24738	3.4
413.21423	2.1
424.00879	1.1
489.35370	1.9
505.35788	1.6
515.37378	21.4
516.37689	1.2
529.38879	71.1
530.39093	3.6
569.41809	2.9
609.35870	1.9
609.45129	22.6
627.46136	6.1
673.43024	1.3
686.72919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.4
59.94905	1.3
60.08165	1.5
61.02924	1.8
65.03930	4.2
67.05506	81.3
69.03412	7.7
69.07074	25.6
69.41692	13.3
71.04977	2.0
73.02916	2.1
79.05494	79.1
81.03415	7.3
81.07056	69.3
83.04967	5.7
83.08620	29.6
85.02899	3.3
85.06532	2.9
86.09710	2.6
91.05482	45.4
93.07047	67.1
93.57063	1.4
95.04953	6.0
95.08609	54.9
97.02886	3.1
97.06525	8.3
97.10174	48.1
98.21018	6.9
103.05493	2.2
105.04549	2.3
105.07027	42.7
107.04969	6.8
107.08593	75.9
109.02872	2.9
109.06512	5.6
109.10161	29.3
111.08065	4.7
111.11668	1.5
114.31696	1.6
116.07068	2.6
117.07022	15.0
119.08590	25.9
121.06477	1.5
121.10144	27.6
123.08044	2.0
123.11707	7.5
124.99990	2.8
125.09635	36.3
127.03897	4.6
129.06999	3.5
130.07794	1.9
131.08572	19.2
133.10133	20.0
135.08037	6.9
135.11699	17.4
137.13220	1.8
143.08568	5.4
145.10115	25.5
147.11720	15.3
149.09616	9.6
149.13234	10.0
153.09109	3.8
157.10112	4.7
158.79636	1.5
159.11667	12.4
161.13254	8.8
163.14778	2.5
171.10362	3.1
171.11726	4.4
173.11986	1.7
173.13274	9.8
175.14778	4.6
183.11652	2.7
184.07318	5.1
185.13290	5.2
187.14790	3.6
189.11246	23.1
197.13300	1.8
201.16412	2.3
225.16061	1.8
227.12790	50.7
229.19496	2.4
237.21086	1.4
239.17982	2.8
240.29860	1.7
241.19617	2.0
243.21141	4.8
245.13846	4.7
257.19019	10.9
259.20554	5.5
261.22156	19.8
275.20068	42.2
277.21570	3.6
293.20847	2.0
317.24609	3.7
331.22638	4.8
333.24274	5.8
335.25806	100.0
336.25977	2.3
346.79004	1.6
349.23706	45.3
350.23816	1.6
355.17667	1.6
367.30258	2.0
369.23785	1.9
383.32904	1.7
389.17987	5.7
393.15530	1.7
431.31525	1.9
487.34067	3.2
505.35199	23.2
515.37097	1.8
517.40259	2.4
535.41107	3.2
609.45135	92.2
610.45313	4.9
627.46112	13.9
649.38446	5.0
825.46381	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25946	3.4
63.68178	3.4
67.05176	4.2
67.05508	52.4
69.07066	24.4
79.05496	51.6
81.03432	7.1
81.07062	45.9
81.67835	4.1
83.04979	4.6
83.08605	10.6
84.04497	11.2
85.02892	4.9
86.09691	5.5
87.04465	4.6
91.05482	53.5
93.07048	54.1
94.24125	3.6
95.04949	11.3
95.08616	35.7
95.19215	3.4
97.06569	4.5
97.10196	5.8
98.21117	22.2
105.07038	54.0
107.08598	26.5
109.10142	17.6
117.06990	25.8
119.08569	34.3
120.08952	3.1
121.10129	15.9
123.08002	5.0
123.11668	3.8
125.09599	4.4
128.06268	4.4
129.07021	17.9
130.07785	3.6
131.08553	29.5
133.10124	22.8
135.11716	10.0
141.07008	5.8
142.07767	4.2
143.08548	15.5
145.10138	29.8
147.11670	14.8
149.13257	6.8
155.08540	12.8
157.10133	14.7
159.11685	17.4
161.13208	7.5
165.31476	3.4
167.08578	3.9
169.10132	13.6
171.11697	18.0
173.13266	12.5
181.10069	8.7
183.11699	14.1
184.07361	10.4
185.13234	12.1
195.11671	8.7
197.13257	7.0
199.14877	6.0
211.14777	6.4
213.16302	3.8
223.14911	6.3
242.40424	3.9
259.20505	6.1
333.24094	6.2
419.80664	4.1
517.40302	13.4
591.44055	9.9
609.45142	100.0
610.45569	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	824.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04163	2.2
60.49956	2.1
61.02917	3.8
65.03923	4.2
67.05505	73.9
69.03423	5.9
69.07073	22.0
70.71262	6.2
71.04983	7.0
72.02682	1.9
78.86712	2.1
79.05493	51.4
81.03416	84.2
81.07058	66.7
83.04985	9.9
83.08623	32.2
85.02896	5.8
85.06551	3.2
91.05482	55.5
93.07037	43.4
95.04973	37.8
95.08607	30.9
97.02897	4.4
97.06526	16.3
97.10173	15.6
98.20948	3.4
99.08074	2.9
103.05505	2.8
105.07029	40.5
106.75428	2.1
107.04952	14.0
107.08598	35.1
109.06538	8.8
109.10152	42.2
109.10831	1.6
111.04391	4.0
111.08066	11.3
115.05483	3.3
117.07011	9.6
119.04927	2.9
119.08578	35.6
121.06514	6.5
121.10137	21.4
123.04414	2.3
123.08059	5.0
123.11689	5.6
125.09657	11.5
129.07002	12.0
131.08589	25.7
133.06473	6.2
133.10124	23.0
135.08076	8.0
135.11696	9.9
137.05962	2.5
137.09567	4.3
141.06982	2.5
142.07768	3.4
143.08580	6.7
145.06458	3.5
145.10117	13.9
147.08060	5.9
147.11682	18.4
149.09587	12.7
149.13203	5.0
151.11201	3.8
151.61328	2.3
153.09129	2.3
153.12694	2.2
155.08658	2.9
155.10573	2.4
157.10123	18.3
159.08034	3.8
159.11710	11.1
161.09593	4.1
161.13258	4.5
163.11201	7.5
164.18774	1.9
165.12717	2.4
169.10165	2.7
171.11682	4.6
173.11758	7.3
173.13229	3.6
175.07732	1.9
175.11168	15.6
177.12779	2.8
181.10117	3.7
183.11720	5.5
184.07356	4.6
185.13252	3.0
187.11174	2.7
189.11230	6.3
193.12262	26.2
195.13791	3.5
207.13774	2.9
211.13319	4.6
219.13718	3.2
227.12772	9.8
229.14355	29.6
239.18050	2.4
243.65469	2.5
249.14984	2.9
255.15869	6.5
257.19034	4.9
267.15909	100.0
269.17499	11.3
274.33310	2.1
275.20020	23.2
285.16919	3.6
293.21063	6.3
349.23709	20.8
367.24808	20.8
369.24280	4.5
387.25259	4.3
403.25101	4.7
421.25888	37.8
443.27921	14.8
447.27042	10.6
461.29053	67.4
462.28909	3.8
465.28473	16.0
475.30606	4.9
485.32846	2.8
493.31671	34.7
503.29941	2.9
511.32611	2.8
541.35272	65.2
542.35645	4.8
547.28912	2.8
559.36298	68.7
560.36420	2.7
573.37610	2.7
739.06726	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	824.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83064	0.7
59.04988	0.8
61.02927	7.6
65.03942	1.8
67.05505	44.7
69.03418	4.6
69.07076	11.9
69.82466	3.8
71.01365	4.3
71.04998	6.7
71.91463	0.7
73.02934	3.5
79.05494	43.1
81.03419	52.6
81.07058	31.4
83.04983	15.1
83.08624	19.4
85.02425	1.3
85.02909	21.5
85.06556	3.5
88.67896	0.7
91.03975	4.2
91.05484	30.8
93.07048	44.0
95.04967	21.1
95.08614	9.8
97.02885	5.9
97.06538	11.5
97.10172	12.7
98.21284	1.9
99.04442	1.7
99.08092	2.3
105.04501	0.7
105.06373	1.4
105.07032	15.8
107.04956	6.1
107.08597	29.5
109.02886	0.8
109.06519	3.1
109.10168	6.2
111.04438	2.5
111.08083	7.7
111.11712	1.0
113.06009	2.2
115.05493	1.1
117.07040	4.1
119.08579	15.9
121.06561	3.2
121.10143	10.4
123.08089	2.0
123.11755	1.1
125.09657	2.6
127.03928	2.0
129.07010	7.5
131.08566	7.4
133.06508	2.2
133.10129	9.6
135.08022	1.1
135.11699	45.1
136.12047	0.9
137.06035	0.9
137.09628	3.4
142.07802	2.5
145.04958	1.6
145.10138	9.1
147.08066	2.2
147.11690	11.2
149.09639	5.4
151.11266	0.7
153.12746	2.1
157.10130	10.8
161.09673	1.1
163.05998	2.0
163.11179	6.5
165.12747	2.1
167.07057	1.0
175.11172	9.7
181.12271	8.3
193.12260	28.7
199.11513	0.7
199.13258	1.3
211.13295	29.8
211.15254	1.6
249.14853	0.8
255.15916	83.5
256.16238	2.0
267.15924	19.8
269.22226	0.6
285.16949	16.8
303.49628	0.8
358.47397	0.8
382.00034	0.7
403.24695	0.8
411.45218	0.7
421.25885	2.4
447.27411	40.7
448.27753	1.6
465.28485	100.0
466.29123	4.1
480.55869	0.7
609.32916	1.3
676.11566	0.7
829.63629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
57.07081	0.3
58.06593	0.3
60.08164	6.7
67.05505	2.4
69.03430	0.3
69.07064	0.9
69.25320	1.4
69.25729	0.5
71.07375	3.9
71.08604	0.2
79.05485	1.8
81.03417	0.3
81.07059	1.9
83.08625	0.5
86.09704	32.8
87.10069	0.2
91.05463	1.5
93.07049	1.4
95.04955	0.7
95.08627	1.1
97.06510	0.3
97.10161	0.6
98.21134	1.0
98.98466	4.3
104.10743	2.7
105.07032	0.9
107.08595	1.0
109.06497	0.2
109.10159	0.8
117.07031	0.5
119.08569	0.8
121.10162	0.4
123.11715	0.2
125.00003	21.1
125.09608	0.5
131.08537	0.3
133.10120	0.5
135.08064	0.2
135.11662	0.2
143.01053	0.4
143.08534	0.2
145.10123	0.2
147.11697	0.2
149.09668	0.3
149.13177	0.3
151.58063	0.2
166.02615	0.2
173.13170	0.2
184.07339	100.0
185.07689	0.9
189.11192	0.3
227.12775	0.4
253.14253	0.3
273.18475	0.7
291.19513	2.2
300.13577	0.3
335.25827	1.6
336.26672	0.2
347.21988	0.2
365.23267	1.1
413.39151	0.2
496.33188	0.2
625.44446	1.9
650.44214	0.3
704.48297	2.3
754.53217	0.5
772.54645	1.7
786.55896	0.5
790.55096	0.6
822.46167	0.2
822.58588	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.1
61.02918	4.6
65.03944	5.9
67.05508	100.0
69.03430	8.8
69.07069	36.8
69.41041	5.3
69.41447	3.4
71.01354	3.3
71.04995	6.3
73.02911	4.1
77.03954	1.5
78.04749	1.5
79.05497	51.1
79.05963	2.8
81.03421	24.6
81.07061	60.3
82.04193	2.6
82.07382	1.5
83.04991	19.5
83.08618	18.2
84.02097	1.4
85.02914	8.4
85.06551	3.9
86.09716	2.7
87.04470	1.9
91.05483	48.9
93.07050	42.9
95.04983	24.7
95.05572	2.5
95.08611	38.4
97.02891	7.5
97.06535	20.1
97.10171	18.8
98.07346	5.9
99.08094	3.7
103.05462	1.8
104.37863	1.3
105.04549	1.5
105.07039	36.9
107.04966	15.7
107.08599	24.7
109.02879	1.7
109.06550	9.1
109.10161	50.1
111.04456	2.7
111.08088	8.2
113.06009	2.4
115.05437	2.5
116.04710	7.2
117.05512	1.3
117.07040	13.2
119.08590	27.0
121.06524	6.2
121.10154	15.3
121.26987	1.3
123.04430	1.6
123.08071	11.7
123.11713	5.2
125.00030	2.6
125.05950	2.1
125.09627	18.6
125.62137	1.4
127.03929	1.9
127.07564	1.4
127.11216	3.0
129.05495	19.1
129.06979	6.3
131.08575	16.8
133.06514	3.4
133.10135	21.4
135.08066	7.1
135.11679	9.8
137.09619	13.9
139.83443	1.1
141.11826	1.3
143.07054	4.7
143.08560	3.6
145.06439	1.6
145.10143	14.8
146.10870	1.4
147.08041	3.4
147.11676	11.7
149.09612	15.7
149.13249	6.8
151.11206	4.1
153.09131	2.3
153.12875	1.8
155.10686	4.0
157.08611	10.4
157.10136	7.4
159.11768	6.9
161.09621	4.0
161.13266	3.8
163.11163	13.1
165.09160	3.4
165.12801	2.9
167.07072	1.9
169.10052	2.2
171.06581	2.4
171.10182	5.9
171.11610	2.7
173.09579	1.8
173.11794	17.4
173.13283	3.9
175.11212	5.6
177.12827	4.1
179.10620	1.2
179.14340	2.9
181.12303	1.4
184.07349	8.4
185.11684	1.7
185.13275	1.6
187.14838	2.0
189.11209	5.3
189.12709	1.7
193.12251	7.9
195.13823	2.6
199.09642	1.9
199.13300	9.4
200.14021	1.3
201.14766	1.3
209.11786	6.6
211.13290	5.1
227.12807	10.2
229.14374	22.0
253.14304	1.7
255.15868	2.5
257.19046	2.7
259.15405	2.2
267.15878	7.9
269.17487	7.4
273.18546	3.3
275.20071	22.7
283.15378	6.0
285.16937	3.1
291.19470	6.0
293.21140	2.7
301.16476	41.1
326.24356	1.4
349.23737	17.1
365.23135	4.0
367.24612	1.6
373.18683	2.7
383.24030	2.6
397.22232	1.8
421.26236	1.6
423.27454	3.5
438.26093	1.9
439.26797	2.2
455.26321	15.8
461.28683	2.3
463.30322	2.0
464.30698	2.5
479.29980	2.2
495.29465	5.7
541.34882	1.9
557.34290	1.4
559.35632	1.5
575.35822	18.1
577.35693	1.4
593.36920	7.0
689.19238	1.3
734.94305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
58.06366	0.2
58.06615	0.4
60.08164	6.3
67.05511	2.0
69.03427	0.2
69.07063	0.9
71.07374	3.9
71.57278	0.2
79.05489	1.2
81.03419	0.2
81.07053	1.7
83.04996	0.4
83.08622	0.3
86.09708	29.7
91.05488	1.2
93.07045	1.3
95.04969	0.4
95.08601	1.0
97.06580	0.2
97.10181	0.6
98.98467	3.5
104.10749	2.8
105.07043	0.6
107.04986	0.3
107.08603	0.9
109.06478	0.2
109.10173	0.8
117.07018	0.2
119.08595	0.7
121.06487	0.2
121.10143	0.5
123.11678	0.2
125.00010	21.3
125.09644	0.2
126.93526	0.2
131.08614	0.4
133.10120	0.6
135.11679	0.2
147.11700	0.2
153.01746	0.2
166.86743	0.2
177.42226	0.2
184.07346	100.0
185.07626	0.7
186.42667	0.2
202.16003	0.3
227.12755	0.4
229.14384	0.2
261.22345	0.2
273.18503	0.6
291.19547	1.9
300.13754	0.3
313.27243	0.3
335.25790	2.1
365.23236	0.9
496.33606	0.4
625.44653	1.9
650.43604	0.3
704.48480	2.5
727.18512	0.2
754.52271	0.4
772.54773	1.8
773.54535	0.3
786.54382	0.4
790.55243	0.5
822.59180	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	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.5
57.07063	3.9
58.63211	2.0
65.03945	5.0
67.05505	95.5
69.03421	7.6
69.07060	21.4
70.74931	4.2
71.04980	7.0
79.05054	3.7
79.05492	61.8
81.03403	6.8
81.07055	87.6
81.70206	2.1
83.04996	12.9
83.08605	8.9
85.02898	2.3
85.06531	7.1
86.09699	10.4
91.05481	68.5
93.07041	76.6
95.04980	11.7
95.08601	51.6
97.02928	2.5
97.06508	7.0
97.10146	3.4
99.04433	3.4
99.08032	2.1
105.07027	56.1
107.04929	7.1
107.08588	53.0
109.06503	11.0
109.10153	68.7
111.08083	3.0
113.06026	2.4
117.07004	9.1
119.08581	22.3
121.06490	7.8
121.10130	20.0
123.08041	5.7
123.11711	14.1
124.99992	8.6
128.06253	2.4
129.06995	3.3
131.08560	22.0
133.06430	2.9
133.10130	77.9
135.08037	8.3
135.11723	12.2
137.09633	2.7
143.08548	6.8
145.10127	13.9
147.08035	2.4
147.11652	8.1
149.09584	6.8
149.13226	6.2
151.11188	33.5
157.10101	4.6
159.11678	8.9
161.09608	8.8
161.13249	5.5
163.11156	3.5
169.12256	7.4
171.11690	4.0
173.13249	4.0
175.11192	2.6
175.14771	2.1
177.09142	3.0
184.07338	41.1
189.12714	2.4
215.12840	4.4
230.26599	2.1
243.21152	2.8
245.19016	3.9
253.14355	100.0
255.17473	2.0
259.20532	2.6
261.22018	11.8
263.19955	4.2
271.15390	3.5
273.18533	23.1
291.19537	24.1
293.07068	2.0
309.20575	3.7
335.25793	97.3
336.26114	3.8
347.22141	8.1
365.23154	38.2
447.30313	2.2
513.35645	4.9
529.35236	3.3
531.36841	35.4
607.43414	7.4
625.44672	57.0
626.44452	4.4
736.02332	2.1
748.89758	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
57.07076	1.3
60.08168	5.7
65.03940	2.9
67.05508	41.4
69.03432	6.0
69.06715	1.5
69.07070	20.7
69.89229	3.8
71.04984	2.3
71.07382	4.2
79.05497	30.1
79.05966	1.6
81.03414	3.7
81.07064	32.2
83.04964	2.8
83.08622	7.5
85.02863	0.9
85.06539	1.1
86.09709	32.8
91.05486	15.4
93.07054	28.0
95.04977	6.3
95.08608	22.5
95.09234	1.1
97.02911	5.2
97.06501	1.8
97.10146	7.8
98.21031	2.4
98.98473	3.7
104.10754	2.3
104.29397	0.8
105.04546	1.1
105.07036	11.3
107.04961	4.1
107.08595	15.0
109.06515	2.7
109.10160	10.6
111.08079	2.0
117.07050	6.3
119.08585	10.0
121.06500	2.0
121.10142	10.6
123.08035	2.7
123.11737	1.8
125.00009	20.1
125.09653	6.3
129.07001	2.0
131.08580	8.2
133.06490	2.1
133.10126	7.0
134.07188	0.9
135.08040	2.5
135.11690	7.0
137.09639	2.2
142.10278	0.9
143.08588	2.5
145.06485	0.9
145.10129	5.5
147.08052	4.8
147.11707	4.0
149.09636	1.3
149.13274	2.9
157.10123	2.0
159.11700	3.8
161.09659	1.6
161.13271	2.4
163.11157	1.6
163.14844	1.0
166.72890	0.8
169.10197	1.4
173.11827	1.1
173.13254	2.2
175.11232	1.8
177.12758	1.0
177.16353	0.9
179.10623	1.0
184.07349	100.0
189.11221	3.1
193.12268	1.1
195.13698	0.9
205.12189	1.6
220.77151	0.7
223.13278	12.4
227.12790	2.6
243.21164	1.5
249.14853	2.4
255.17557	0.8
261.22125	6.7
273.18506	7.3
291.19543	67.0
292.19919	1.1
301.41125	0.8
317.24854	1.1
335.25797	59.4
336.26160	1.5
347.22141	1.6
365.23245	30.5
505.34839	1.2
545.38190	2.3
607.43530	1.7
625.44641	58.7
626.44891	2.8
704.48169	2.2
772.54266	1.7
804.58997	1.6
822.57941	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	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.2
57.07070	2.4
63.92466	1.6
65.03948	2.8
67.05170	3.1
67.05507	47.5
69.07069	31.3
69.89627	8.9
71.04980	3.0
71.51036	1.8
79.05492	44.8
81.03413	6.6
81.07058	59.1
81.07523	3.9
83.04993	8.4
83.08630	8.2
85.06504	1.9
91.05482	79.5
92.05804	2.0
92.11797	1.9
93.07043	56.6
93.07628	3.3
95.01342	7.6
95.05000	11.8
95.08608	32.8
97.06528	19.7
97.10177	3.3
103.05450	3.3
105.04511	2.8
105.07029	100.0
107.04959	16.0
107.08597	30.8
109.06524	4.4
109.10127	10.9
111.08059	2.4
117.07024	21.8
119.08578	55.1
120.40816	1.7
121.06519	3.5
121.10161	14.2
123.04400	2.1
123.08053	2.9
123.11660	2.0
125.09623	2.8
129.06984	9.9
131.08559	31.0
133.09114	2.6
133.10129	53.6
135.08083	3.5
135.11684	11.1
137.09593	1.9
143.08548	7.7
145.10120	23.6
147.11679	30.8
149.09654	5.3
149.13231	8.5
155.08563	3.7
157.10153	7.3
159.11693	15.0
161.13245	18.8
163.11238	3.6
169.10089	2.3
171.11726	7.5
173.13266	6.9
175.14857	8.1
177.12773	3.8
179.14343	8.9
183.11650	3.7
183.20119	1.9
184.07370	4.7
185.13297	2.8
187.11194	2.2
187.14807	3.0
199.14786	2.3
215.17865	2.6
239.18138	2.0
241.19557	15.6
247.20583	2.3
257.19006	5.7
259.20581	23.5
263.18488	2.0
275.20071	59.0
283.06198	3.9
293.21167	3.4
315.23199	12.5
331.22592	2.1
333.24200	56.1
349.23743	41.2
392.85440	1.8
430.13647	1.9
502.88297	2.0
513.35229	1.9
515.38757	1.9
607.43579	88.0
608.44348	4.2
625.44666	10.7
680.22113	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	822.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	20.1
65.03942	8.3
67.05509	78.6
69.03437	18.2
69.07076	47.2
69.07447	3.0
71.04988	21.0
79.05499	82.8
81.03423	100.0
81.07063	77.6
83.04992	21.0
83.08634	30.1
85.02914	11.9
85.06550	6.2
91.05487	73.8
93.07050	71.9
95.04977	46.4
95.08607	31.6
97.02889	9.3
97.05915	3.3
97.06537	65.1
97.07140	4.6
97.10188	14.0
99.04494	3.4
99.08125	6.2
103.05498	3.9
105.07034	55.2
107.04962	23.7
107.08604	39.1
109.02904	6.7
109.06530	23.4
109.10155	24.4
111.04471	5.0
111.08088	16.9
113.06041	4.0
115.05457	6.7
115.07582	19.6
117.07022	22.6
119.08590	37.2
121.06533	17.0
121.10141	24.0
123.04465	4.4
123.08067	12.4
123.11726	5.3
125.09666	11.4
127.03941	6.9
128.06221	3.1
129.05515	5.1
129.06992	23.0
131.08565	38.2
133.06482	7.6
133.10141	27.1
135.08093	15.1
135.11673	13.2
137.05980	4.2
137.09637	4.9
141.07037	3.5
142.07799	6.2
143.08540	12.6
145.06630	3.2
145.10132	23.0
147.04442	3.2
147.08044	12.2
147.11659	13.2
149.09610	14.5
149.13280	9.8
151.11176	4.5
153.09074	2.8
155.08598	10.2
157.06387	3.2
157.10117	22.8
159.08096	8.6
159.11714	14.5
161.09662	10.5
163.11148	12.4
165.12807	2.7
167.07060	6.6
169.10234	5.9
171.08034	3.1
171.11740	6.5
173.09634	6.8
175.11197	10.7
177.12770	3.5
184.07326	7.4
185.13220	4.5
187.11211	4.7
189.11189	4.5
193.12283	19.8
195.13817	4.7
199.14911	3.9
201.12717	3.8
205.12335	4.7
209.11600	2.9
209.13367	2.9
211.13289	5.9
217.15945	5.9
227.12836	8.2
233.15344	3.4
253.14313	7.2
255.17566	3.4
257.15375	3.0
267.15903	60.3
269.17590	16.3
271.16980	3.1
273.15955	2.9
273.18576	22.0
275.20108	5.0
283.15259	3.2
289.18027	4.1
291.19513	13.4
297.16895	3.2
301.16666	3.7
307.19095	5.3
313.21591	3.9
345.20908	3.0
347.22217	7.2
351.23151	3.3
365.23380	8.1
369.24454	5.5
374.15826	2.8
421.26010	3.4
433.25769	3.4
443.28009	5.0
447.27979	9.9
461.29034	38.5
463.31390	3.7
465.30005	4.8
471.27377	3.9
483.30841	9.1
487.30676	10.8
489.28729	4.3
493.31555	8.7
499.30469	7.0
529.34540	3.8
539.33826	12.3
557.34869	37.9
575.35541	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	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	20.7
57.07067	4.4
59.04997	3.1
61.02923	4.2
65.03939	5.5
67.05508	100.0
69.03428	12.8
69.06718	3.0
69.07073	42.4
71.04988	13.9
71.58118	2.6
73.02914	4.0
78.83342	1.7
79.05495	71.9
79.05959	3.5
81.03423	59.0
81.07059	82.8
83.04987	24.1
83.08624	29.4
84.87282	1.7
85.02910	21.1
85.06538	5.3
89.05124	1.8
91.05486	72.1
93.07047	71.2
95.04354	2.3
95.04973	36.8
95.08614	45.3
97.02895	9.2
97.06540	21.5
97.10176	15.4
98.07343	1.9
99.04445	3.5
99.08061	4.2
102.00635	1.9
103.05484	2.3
105.04470	2.3
105.07034	41.2
107.04968	17.1
107.08598	35.1
109.02895	3.7
109.06493	10.8
109.10158	35.8
111.04478	4.6
111.08085	13.9
113.05997	2.7
115.05456	3.2
116.04688	2.1
117.07040	17.1
119.07779	2.9
119.08587	38.3
120.05696	1.8
121.06490	6.6
121.10160	21.7
123.08053	6.9
123.11690	6.3
125.09641	13.2
127.03914	3.6
128.06223	2.0
129.05542	8.7
129.07014	15.6
131.04967	3.0
131.08577	24.9
133.06490	4.2
133.10143	30.8
135.08047	8.0
135.11694	12.3
137.09634	15.2
139.11168	2.1
141.07008	2.1
142.07788	3.4
143.08559	5.3
145.06499	4.8
145.10135	14.0
147.08043	5.6
147.11676	17.7
149.09624	18.0
149.13300	12.0
151.11180	6.2
153.09207	2.2
155.08508	2.4
155.10715	2.9
157.08827	2.9
157.10133	13.0
159.11694	11.6
161.09618	2.6
161.13223	2.7
163.11203	12.3
165.09216	2.2
165.12682	3.5
171.11697	2.8
173.09621	2.0
173.11731	12.3
173.13179	3.9
175.11171	14.1
177.12772	3.8
179.10408	2.0
179.14308	2.7
183.11720	2.8
187.11186	1.9
189.11191	5.0
189.12692	3.1
191.10643	3.3
193.12254	33.4
195.13898	5.8
199.13329	4.8
209.11734	6.3
210.77571	1.6
211.13295	39.4
213.14862	1.9
227.12689	8.9
229.14343	15.1
239.17751	2.1
241.14708	1.7
247.20694	2.1
249.14850	2.0
253.14319	6.8
255.15799	2.2
257.19073	4.4
267.15887	22.8
267.34061	1.9
269.17456	20.8
271.15305	2.5
273.18652	1.9
275.20065	19.3
283.15546	10.3
285.16974	29.6
291.19586	3.0
301.16519	14.1
331.22885	2.3
349.23770	19.2
373.18497	1.9
381.26581	2.1
411.27490	4.1
413.21359	3.2
421.25717	6.6
423.27518	12.2
439.26950	31.5
443.27914	2.4
445.29657	2.2
459.27042	2.3
461.28915	7.6
462.29504	3.7
463.30585	25.1
477.28555	5.4
479.30072	21.1
495.29538	9.3
541.35168	6.8
559.36127	18.9
575.35638	6.8
577.37213	2.4
583.30933	2.2
639.35028	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	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	20.7
57.07067	4.4
59.04997	3.1
61.02923	4.2
65.03939	5.5
67.05508	100.0
69.03428	12.8
69.06718	3.0
69.07073	42.4
71.04988	13.9
71.58118	2.6
73.02914	4.0
78.83342	1.7
79.05495	71.9
79.05959	3.5
81.03423	59.0
81.07059	82.8
83.04987	24.1
83.08624	29.4
84.87282	1.7
85.02910	21.1
85.06538	5.3
89.05124	1.8
91.05486	72.1
93.07047	71.2
95.04354	2.3
95.04973	36.8
95.08614	45.3
97.02895	9.2
97.06540	21.5
97.10176	15.4
98.07343	1.9
99.04445	3.5
99.08061	4.2
102.00635	1.9
103.05484	2.3
105.04470	2.3
105.07034	41.2
107.04968	17.1
107.08598	35.1
109.02895	3.7
109.06493	10.8
109.10158	35.8
111.04478	4.6
111.08085	13.9
113.05997	2.7
115.05456	3.2
116.04688	2.1
117.07040	17.1
119.07779	2.9
119.08587	38.3
120.05696	1.8
121.06490	6.6
121.10160	21.7
123.08053	6.9
123.11690	6.3
125.09641	13.2
127.03914	3.6
128.06223	2.0
129.05542	8.7
129.07014	15.6
131.04967	3.0
131.08577	24.9
133.06490	4.2
133.10143	30.8
135.08047	8.0
135.11694	12.3
137.09634	15.2
139.11168	2.1
141.07008	2.1
142.07788	3.4
143.08559	5.3
145.06499	4.8
145.10135	14.0
147.08043	5.6
147.11676	17.7
149.09624	18.0
149.13300	12.0
151.11180	6.2
153.09207	2.2
155.08508	2.4
155.10715	2.9
157.08827	2.9
157.10133	13.0
159.11694	11.6
161.09618	2.6
161.13223	2.7
163.11203	12.3
165.09216	2.2
165.12682	3.5
171.11697	2.8
173.09621	2.0
173.11731	12.3
173.13179	3.9
175.11171	14.1
177.12772	3.8
179.10408	2.0
179.14308	2.7
183.11720	2.8
187.11186	1.9
189.11191	5.0
189.12692	3.1
191.10643	3.3
193.12254	33.4
195.13898	5.8
199.13329	4.8
209.11734	6.3
210.77571	1.6
211.13295	39.4
213.14862	1.9
227.12689	8.9
229.14343	15.1
239.17751	2.1
241.14708	1.7
247.20694	2.1
249.14850	2.0
253.14319	6.8
255.15799	2.2
257.19073	4.4
267.15887	22.8
267.34061	1.9
269.17456	20.8
271.15305	2.5
273.18652	1.9
275.20065	19.3
283.15546	10.3
285.16974	29.6
291.19586	3.0
301.16519	14.1
331.22885	2.3
349.23770	19.2
373.18497	1.9
381.26581	2.1
411.27490	4.1
413.21359	3.2
421.25717	6.6
423.27518	12.2
439.26950	31.5
443.27914	2.4
445.29657	2.2
459.27042	2.3
461.28915	7.6
462.29504	3.7
463.30585	25.1
477.28555	5.4
479.30072	21.1
495.29538	9.3
541.35168	6.8
559.36127	18.9
575.35638	6.8
577.37213	2.4
583.30933	2.2
639.35028	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	822.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	2.0
57.03440	24.4
57.07067	3.8
59.04993	5.3
60.17818	1.2
61.02935	5.9
65.03932	2.9
67.05506	100.0
69.03432	11.4
69.06769	1.6
69.07073	16.3
69.72024	6.4
71.01333	2.5
71.04993	7.3
73.02920	7.0
79.05495	39.3
81.03422	28.9
81.07063	43.7
82.04198	3.3
83.01331	1.6
83.04986	18.7
83.08621	18.5
85.02905	17.6
85.06531	5.4
86.09724	1.6
87.04465	5.1
91.03967	2.2
91.05483	25.9
93.07050	25.9
95.04967	17.0
95.08610	18.1
97.02893	11.6
97.06545	9.9
97.10173	27.9
98.07314	4.8
98.21280	3.5
99.04499	1.7
99.08093	2.5
105.07044	14.4
107.04967	7.8
107.08597	19.7
109.02887	2.0
109.06516	5.5
109.10162	66.7
111.04427	3.8
111.08060	8.3
115.05444	1.6
116.04705	11.2
117.05447	1.5
117.06993	6.3
119.08591	14.0
121.06512	3.1
121.10161	9.4
123.08072	6.8
125.09637	31.1
127.03912	1.7
127.11221	2.4
128.06229	1.7
129.05479	23.0
129.07007	4.9
131.08568	7.7
133.10136	6.3
135.08015	3.0
135.11665	9.2
137.08693	1.4
137.09584	7.4
139.07603	1.2
143.07043	3.8
143.10677	1.7
143.43594	1.4
145.10118	8.9
145.95436	1.3
147.08099	2.0
147.11679	4.1
149.02356	3.0
149.09641	3.7
151.11188	1.6
153.09036	2.4
153.12726	6.2
155.10637	3.5
157.08597	9.8
157.10002	2.8
163.11177	14.4
171.06554	2.1
171.10149	3.4
173.04456	1.8
173.09573	1.9
173.11748	22.2
175.11206	4.1
181.04922	1.3
181.12190	4.0
184.07335	4.4
189.11198	6.1
191.10661	5.2
193.12224	7.3
199.13290	14.9
200.14053	2.5
209.11769	14.2
210.12445	2.3
211.13255	4.5
217.14424	2.5
227.12810	16.1
228.13539	2.3
228.23166	2.2
229.14357	46.1
255.15852	3.1
265.14349	1.9
267.15939	9.4
269.17505	3.1
283.15402	11.2
285.17142	1.7
301.16464	55.7
302.27057	1.3
365.96512	1.4
371.24316	5.9
383.24362	8.4
399.23727	11.4
421.25818	2.3
425.25143	1.4
437.25095	4.2
438.26010	1.9
443.26208	1.8
455.26373	16.8
463.30301	1.4
509.27631	2.7
524.59711	1.3
527.28430	6.3
541.33655	5.0
545.29382	3.3
553.33887	7.4
607.34668	2.3
625.35657	12.3
822.36865	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	822.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.4
57.07069	1.2
61.02919	3.5
64.32005	0.4
65.03943	0.8
67.05508	32.9
68.50760	0.4
69.03450	1.0
69.07070	12.6
70.61935	1.0
70.62315	0.6
71.01363	0.9
71.05000	3.2
71.63079	0.4
73.02917	1.7
79.05497	19.3
81.03416	3.1
81.07059	46.7
82.07391	0.5
83.04996	4.0
83.08620	8.9
85.02907	4.8
85.06541	2.3
91.03952	1.9
91.05489	10.7
93.07048	33.5
93.86625	0.4
95.04975	4.2
95.08611	12.4
97.02901	2.8
97.06538	7.5
97.10172	1.5
98.21313	0.6
99.04447	0.5
99.08093	1.6
105.04503	0.6
105.07034	5.0
107.04963	0.7
107.08601	18.6
108.09025	0.4
109.02892	0.7
109.06544	2.0
109.10162	3.5
111.08081	3.8
111.11728	0.6
113.06001	0.5
113.09686	0.7
115.05426	0.6
117.07024	5.9
119.08563	2.3
121.06533	0.9
121.10144	11.9
122.10511	0.5
123.08066	0.9
123.11716	1.1
125.09681	0.6
127.03944	0.9
129.07033	0.8
131.08578	5.5
133.10135	5.0
134.10704	0.4
135.08070	1.2
135.11702	5.0
137.09669	0.5
139.11154	1.1
145.04977	0.5
145.10120	0.6
147.11700	1.3
149.09674	1.1
149.13263	20.3
151.11140	0.9
157.10158	0.8
159.11679	7.5
163.06029	0.8
163.11113	0.7
177.12781	3.0
195.13847	5.8
201.95636	0.5
213.14828	1.1
227.12807	0.6
229.14279	0.5
251.16528	0.5
253.14413	0.8
267.15936	0.7
269.17484	42.8
270.17896	0.8
283.15332	0.7
437.25717	0.5
441.45044	0.5
463.30569	100.0
464.31046	3.6
524.34814	0.4
607.34540	0.7
633.96667	0.5
822.40009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
57.07078	2.1
58.06614	0.5
60.08167	6.4
61.02954	0.3
64.85372	0.2
67.05505	3.7
69.07086	1.2
71.05029	0.3
71.07376	4.0
71.08639	1.7
71.12543	0.2
71.56876	0.3
79.05078	0.3
79.05492	1.8
81.03427	0.4
81.07060	3.5
83.04999	0.3
83.08604	1.2
85.06538	0.3
85.10195	1.0
86.09711	30.9
89.06024	0.2
91.05488	1.1
93.07049	1.9
95.04974	0.4
95.08619	2.2
97.06524	0.4
97.10164	0.9
98.21252	0.3
98.98466	4.6
104.10748	2.6
105.07015	1.2
107.08604	1.5
109.06512	0.3
109.10162	2.6
111.08089	0.3
111.14033	0.2
117.07047	0.6
119.08598	0.7
121.10162	0.6
123.08101	0.3
123.11660	0.3
125.00012	21.3
125.09619	0.4
131.08557	0.7
133.10152	0.6
135.11754	0.3
144.09251	0.2
145.10182	0.4
147.11690	0.4
149.09610	0.5
149.13304	0.3
153.05409	0.3
159.11661	0.5
164.98227	0.2
173.11734	0.6
173.13130	0.3
184.07350	100.0
185.07671	0.6
189.11211	0.2
227.12778	0.6
229.14359	2.0
241.32703	0.2
269.17484	1.3
275.20102	1.7
283.06207	0.9
293.21136	0.3
301.07190	0.3
313.27362	6.3
349.23703	1.4
367.24689	0.9
467.37314	1.4
490.23120	0.3
507.40546	2.9
587.46692	2.2
605.47455	1.0
650.44788	0.3
704.48419	2.5
728.58264	0.2
752.52136	0.3
770.53210	1.6
788.53125	0.5
802.55444	0.4
820.56946	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	817.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	15.4
57.07068	3.8
59.04999	2.7
60.85794	1.4
61.02930	2.9
65.03937	3.8
67.05508	59.1
68.59007	1.3
68.99788	2.0
69.03431	35.3
69.07070	8.0
71.01349	4.2
71.04996	8.2
71.56502	2.2
72.16952	1.4
73.02920	12.7
79.05497	32.2
81.03420	100.0
81.07058	30.0
83.04980	23.4
83.08615	16.2
85.02421	2.4
85.02905	34.2
85.06522	3.1
91.05486	33.5
93.07053	19.2
95.04969	23.7
95.08617	12.8
97.02900	33.1
97.06535	7.4
97.10172	9.5
99.04449	9.9
99.08076	2.6
101.02364	1.6
103.03949	1.6
105.07037	22.7
107.04972	17.6
107.08602	12.6
109.02900	18.0
109.06492	3.9
109.10164	31.4
111.04436	13.7
111.08094	8.8
111.47844	1.4
113.02335	2.1
113.06021	2.5
115.03913	2.2
115.05440	1.6
117.07043	5.0
119.04926	2.6
119.08582	20.7
121.02876	2.8
121.06525	3.2
121.10144	9.4
123.04433	6.4
123.08042	1.9
123.11709	2.0
125.09624	9.2
127.03915	18.4
127.11218	2.2
129.05460	7.0
129.06967	7.8
131.03355	2.0
131.04922	2.4
131.08592	9.6
133.06487	2.5
133.10165	11.5
135.04440	9.4
135.08047	3.3
135.11710	3.6
137.05986	3.7
137.09650	4.2
139.11232	1.6
142.07718	1.6
143.08548	4.2
145.05020	1.7
145.06506	2.2
145.10109	7.0
147.04390	2.6
147.08012	3.5
147.11702	13.8
148.33492	1.9
149.05975	2.9
149.09622	4.9
151.03888	2.7
151.11136	2.2
153.05508	3.0
153.12720	1.9
155.10718	2.0
157.10109	12.3
159.11627	1.8
161.09666	2.1
163.03911	2.6
163.11191	5.9
165.05473	1.6
165.12791	4.3
167.07002	3.5
173.04503	11.8
173.05852	3.3
173.09537	2.1
173.11749	10.4
175.11166	12.2
181.04980	2.9
181.12231	4.3
189.11246	3.7
191.10580	2.7
193.12236	29.2
199.06123	4.2
199.13319	2.0
209.11752	7.4
211.13281	41.9
217.07095	6.3
227.12775	8.3
229.14363	17.6
253.82278	1.6
267.15936	20.6
283.15421	5.3
285.16980	19.7
299.14902	2.6
301.16650	3.3
313.16418	1.7
337.16577	2.7
353.16052	2.6
355.17676	2.5
361.60715	1.6
371.17090	2.0
373.18420	4.3
383.22018	1.6
397.35794	1.7
403.24655	2.6
411.20178	3.1
421.25888	15.1
439.26904	30.1
475.27283	7.6
493.27948	7.7
511.29193	2.2
565.30115	2.8
583.31116	17.2
595.20642	1.8
619.30652	2.5
637.32233	6.7
655.33337	2.5
691.15546	1.5
759.41479	1.8
799.36017	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	820.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	1.0
59.07376	0.6
60.08165	6.3
67.05503	0.6
67.94296	0.3
69.07076	0.3
71.07378	3.6
71.57722	0.3
80.33620	0.2
81.07059	0.7
86.09708	30.7
91.05492	0.4
93.07052	0.7
95.08617	0.4
98.98469	3.3
104.10760	2.1
105.07035	0.5
107.08561	0.4
109.10169	0.4
125.00010	18.5
179.35208	0.3
184.07346	100.0
185.07674	0.9
222.08945	0.7
275.19977	0.5
550.34424	0.3
572.96454	0.3
609.45001	0.6
650.43860	6.0
678.46478	0.6
793.39807	0.4
820.53711	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	811.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.7
60.08194	1.9
61.02928	5.1
65.03949	5.2
67.05510	26.8
69.03433	11.9
69.07085	7.7
71.04997	6.6
71.56591	3.9
73.02906	4.4
79.05495	38.0
81.03428	25.7
81.07064	27.8
83.05001	9.0
83.08646	5.1
85.02924	12.8
85.06568	1.9
86.09723	14.6
87.04469	2.2
91.03979	4.7
91.05486	41.8
93.07047	34.7
95.04962	10.9
95.08611	14.4
97.02891	11.4
97.06556	3.4
97.10194	3.1
99.04473	2.2
101.02374	2.5
102.57629	2.2
105.07043	26.5
107.04993	8.0
107.08591	11.9
109.02886	3.1
109.06524	4.8
109.10213	3.8
115.05482	2.0
117.07015	10.1
118.31333	2.0
119.08603	15.0
121.06492	2.2
121.10163	4.1
123.08089	2.9
125.00028	7.9
127.03956	6.0
128.06250	4.7
129.07025	14.5
131.08615	6.4
133.06549	3.2
133.10170	7.9
135.08072	3.4
137.48277	1.8
143.08571	9.7
145.04973	2.5
145.06519	3.7
145.10181	6.5
147.11664	16.9
148.63229	2.2
149.09624	2.9
155.08670	1.8
157.10138	3.5
159.08141	3.1
161.09697	4.1
161.13335	4.6
167.08522	2.8
169.10245	2.6
171.08101	3.3
171.11694	16.9
173.04507	6.2
184.07358	48.5
185.07774	6.8
185.09625	3.1
189.12822	6.9
193.12453	2.2
207.13792	15.5
225.14961	4.4
241.15977	2.8
243.08411	3.9
269.15509	4.8
281.17499	27.6
283.06467	2.5
283.15298	4.2
287.16519	4.3
351.18091	3.0
425.22092	4.3
454.82883	2.2
469.29575	2.7
487.30530	30.3
501.23428	10.0
501.30246	2.1
539.33380	2.4
551.29010	4.9
567.33484	8.2
631.34668	4.1
747.42194	2.0
811.44476	100.0
812.44641	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	811.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.03126	0.5
59.04998	0.6
61.02927	3.9
67.05505	4.6
69.03435	3.1
69.07079	1.2
69.29337	3.0
69.29766	1.4
71.01360	0.7
71.05024	1.5
73.02918	3.8
79.05489	5.0
81.03422	4.6
81.07062	5.7
81.07516	0.6
83.05012	1.3
83.08637	1.5
85.02900	4.8
86.09705	1.0
87.04494	0.8
91.03943	2.5
91.05482	5.0
93.07058	4.3
94.98074	0.5
95.05003	2.0
95.08609	2.5
97.02895	4.3
97.06565	0.8
97.10184	0.7
98.21394	1.6
99.04490	0.6
101.02393	1.6
105.07039	3.0
107.04967	0.5
107.08606	3.2
109.02893	0.9
109.06573	0.7
109.10210	1.0
111.08085	0.8
117.07047	1.0
119.08562	2.4
121.10185	1.5
123.11725	0.6
125.00045	0.6
127.03953	1.5
129.07085	1.2
131.08569	2.1
133.10193	1.9
135.11780	1.0
145.10187	0.9
147.08159	0.5
147.11755	1.7
149.09691	2.0
151.11185	0.5
157.10170	0.8
163.11203	0.4
169.87971	0.5
175.11288	0.8
184.07376	2.7
185.04298	0.6
185.07899	0.6
193.12328	1.2
203.05354	0.6
225.14983	0.6
232.02536	0.5
243.08395	3.4
267.16022	0.9
283.15176	3.2
333.20432	1.6
339.17996	0.7
410.24615	0.4
439.19504	1.5
441.20792	0.5
453.21149	1.9
469.20575	1.8
501.23068	13.1
501.30194	0.7
502.23801	0.6
551.28296	5.4
641.31531	1.1
811.44482	100.0
812.44727	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	809.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04619	0.2
65.03944	2.6
67.05148	0.2
67.05489	1.1
68.99757	0.4
69.03418	0.7
74.94434	0.2
77.03884	0.3
78.04718	2.7
79.05495	1.7
81.03391	0.8
81.07037	0.5
82.04171	0.6
83.04974	0.3
85.02895	1.4
91.04955	0.3
91.05486	3.4
93.03400	0.8
93.07046	0.5
95.04967	1.9
95.08595	0.3
97.02879	0.3
97.06538	0.7
98.21277	1.4
103.05482	2.2
105.03417	0.4
105.07016	0.6
106.04177	1.6
107.04950	1.8
108.02081	0.3
109.02882	0.6
109.06523	0.3
110.03651	1.0
111.04495	1.4
115.05465	5.5
116.06236	0.3
117.07023	8.7
119.04943	3.3
119.08577	0.6
121.06496	0.3
122.03634	0.9
123.03551	0.4
123.04437	7.4
124.05235	2.6
125.05987	1.4
127.05428	1.4
129.06995	0.3
130.04132	0.4
131.04947	1.2
132.05627	0.4
133.02859	0.8
133.06468	0.7
134.03624	0.5
135.04408	0.7
136.05215	0.3
136.06187	0.7
137.05984	8.1
138.03123	0.5
142.02609	0.9
143.04953	1.5
144.05692	0.4
145.06496	13.4
147.04413	3.8
147.08031	0.9
149.05978	0.5
151.03928	3.2
151.07529	0.9
152.04663	2.2
153.01808	0.8
153.05466	2.6
155.04855	0.4
155.06056	4.7
155.07280	0.3
156.05736	0.3
160.05154	0.5
161.05959	0.8
165.05521	1.1
165.09154	0.3
167.07050	100.0
168.07401	1.3
171.04427	0.3
171.06512	1.8
173.05994	25.2
174.06483	0.5
175.07530	1.4
177.05476	0.5
179.07040	1.3
181.04967	35.5
182.05354	0.5
183.06534	0.3
186.40498	0.2
189.05466	0.5
190.06281	0.6
191.07013	1.1
195.06526	0.5
201.05464	0.8
203.07024	1.8
204.07843	0.7
205.08597	5.5
207.06531	0.3
207.10065	0.3
213.05582	0.3
215.06932	0.3
219.06430	0.6
221.06055	0.3
222.06725	0.4
231.06395	1.3
233.08101	4.6
234.08742	0.4
235.07526	0.5
235.09662	4.3
250.06207	0.3
265.08588	0.6
280.07205	0.4
282.08929	0.4
293.07761	0.5
295.09515	0.6
296.10529	0.3
297.11288	0.7
310.08340	0.4
313.11154	0.3
323.09174	0.4
325.10767	1.0
342.11038	0.4
353.10306	0.4
355.11792	0.7
357.13290	3.4
369.13144	0.4
370.10403	0.3
385.12848	14.8
386.13193	0.6
387.09369	0.3
387.14423	6.2
415.13791	0.5
417.15503	8.5
475.30838	0.3
583.21680	2.5
613.22821	63.9
614.23181	3.3
700.04321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	7.1
67.05494	0.7
69.07072	0.6
70.41410	1.6
71.07368	4.6
79.05476	0.7
81.07026	1.0
86.09706	30.5
87.10073	0.5
95.08643	0.4
98.21016	0.8
98.98464	3.3
104.10732	2.8
105.07082	0.4
107.08595	0.5
112.60431	0.4
119.08582	0.7
125.00010	20.4
132.28152	0.5
184.07346	100.0
185.07600	0.5
266.32269	0.4
292.26581	0.5
313.27512	0.5
356.81332	0.5
384.16125	0.4
714.46686	1.7
796.54272	1.1
814.57233	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	809.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98251	0.3
65.03950	2.5
67.05481	0.9
69.03410	0.9
70.91638	0.7
78.04719	2.3
79.05488	1.8
81.03394	0.8
81.07047	0.3
81.20931	0.4
82.04196	0.7
85.02884	1.2
87.58036	0.3
91.05474	4.4
93.03375	0.9
95.04944	1.1
97.06528	0.5
97.98304	0.3
98.21188	0.7
103.05470	2.2
105.03374	0.5
105.07075	0.5
106.04179	1.5
107.04964	1.8
110.03625	1.6
111.04417	1.3
115.05456	5.3
117.07019	8.5
119.04960	3.5
119.08561	0.3
121.06472	0.6
122.03654	0.7
123.04442	6.5
124.05203	2.8
125.05996	1.0
127.05427	1.2
128.06216	0.4
131.04929	1.1
133.02855	0.5
133.06464	0.5
134.03534	0.4
135.04384	0.3
136.06174	1.0
137.05986	5.8
138.03151	0.6
142.02692	0.8
143.04918	0.8
144.05737	0.4
145.06483	14.2
147.04414	4.1
147.08015	1.1
149.06015	0.5
151.03929	2.3
151.07555	1.3
152.04695	2.8
153.01859	0.3
153.05466	2.7
154.19244	0.3
155.06038	4.7
155.07152	0.5
157.79927	0.3
161.05963	0.8
165.05495	0.7
167.07045	100.0
168.04236	0.5
168.07336	0.9
171.06537	1.3
173.05992	25.1
174.06482	0.5
175.07555	1.2
179.07010	1.2
181.04962	34.8
190.06230	0.4
191.06975	0.5
195.06546	0.4
201.05513	1.0
203.06964	1.6
205.08626	5.6
207.10207	0.4
219.06416	0.6
231.06485	0.9
233.08078	4.9
234.08875	0.5
235.09648	4.5
250.06273	0.4
251.06981	0.4
253.08557	0.4
263.07132	0.5
264.07803	0.4
265.08585	0.8
283.09692	0.5
293.08231	0.5
297.11288	0.6
310.08359	0.6
323.09332	0.4
325.10696	0.8
327.08704	0.4
327.12207	0.4
329.10126	0.4
335.42764	0.3
339.12451	0.4
357.13400	3.2
367.11734	0.4
385.12827	17.0
386.13477	0.5
387.14429	4.5
411.14343	0.4
415.13452	0.4
417.15439	10.0
583.21686	2.8
613.22797	71.4
614.23230	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	809.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
59.05003	1.2
60.08140	0.8
61.02918	5.2
61.55220	0.6
67.05510	6.9
69.03428	5.4
69.07078	2.3
71.01373	1.0
71.05003	1.7
71.58184	0.8
73.02921	3.3
79.05490	7.7
81.03417	7.4
81.07049	7.9
82.07386	0.9
83.04987	2.0
83.08614	2.0
84.25017	0.6
85.02900	5.6
85.06521	1.1
86.09702	0.9
91.03966	2.5
91.05482	8.6
93.07043	5.6
95.04964	3.4
95.08610	4.2
97.02888	4.3
97.06553	1.7
99.04453	1.0
101.02386	1.9
103.03973	1.0
105.07039	5.5
107.04948	1.6
107.08610	3.4
109.02884	1.1
109.06538	1.6
109.10148	3.5
111.08141	0.7
117.07055	1.3
119.08608	3.2
121.06586	1.0
121.10181	2.7
123.08104	0.8
123.11736	0.8
127.03953	1.8
129.05568	0.8
129.07042	2.2
131.08591	2.9
133.10144	4.7
135.11757	0.9
145.10159	1.2
146.93367	0.7
147.11658	3.6
149.09657	1.9
151.11237	1.3
157.10201	1.9
159.11707	0.9
161.09668	1.1
175.11208	2.1
175.95721	0.7
178.41057	0.7
184.07336	4.0
185.04269	1.0
193.12260	3.9
203.05243	0.9
205.88045	0.6
211.13391	0.9
225.14972	0.8
229.14386	0.8
243.08368	3.8
246.69482	0.7
267.16168	1.4
270.62433	0.7
283.15186	4.1
313.17950	1.0
331.18970	2.5
451.19482	1.5
501.23074	14.3
531.26062	2.0
549.26746	3.7
573.25366	2.1
639.30487	1.9
711.35736	2.4
791.41760	10.0
809.42828	100.0
810.43127	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.0
59.58727	5.0
67.05509	82.1
69.07080	27.6
69.61899	25.5
79.05495	72.6
79.26968	4.5
81.07069	77.9
83.05001	5.9
83.08649	11.4
88.13163	5.4
91.05481	73.9
92.44630	5.2
93.07052	75.9
95.04970	8.9
95.08615	60.4
97.06575	6.4
97.10196	7.6
100.62450	5.2
105.07042	73.5
107.08586	45.4
107.13647	5.0
109.06491	5.1
109.10159	25.7
110.16916	6.7
117.07048	20.1
119.08589	57.5
121.10153	35.7
123.11732	11.2
129.07025	9.1
131.08571	33.5
133.10156	47.9
135.11732	31.1
143.08572	15.6
145.10135	28.0
147.11691	40.1
149.13284	13.9
157.10094	11.8
157.30432	5.1
159.11674	30.1
161.13309	23.2
161.36748	4.9
171.11740	12.2
173.13252	15.5
175.14896	8.8
184.07405	13.1
197.13319	5.5
231.21263	4.9
241.19543	22.7
251.18419	5.1
257.19125	8.7
259.20587	89.6
261.22165	9.9
283.15210	6.4
306.39316	5.3
315.23410	6.7
333.24194	61.3
335.25815	100.0
337.27408	8.8
341.50797	5.9
385.39944	4.9
415.89960	5.4
465.48508	5.7
593.45605	13.8
611.46667	64.4
612.38196	5.5
626.42438	4.8
760.71411	5.7
808.51636	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	807.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
57.07075	2.9
65.03939	1.0
67.05505	5.1
69.03422	2.8
69.07063	3.0
69.46996	1.0
69.47396	2.9
71.04988	1.1
72.47689	0.4
73.06549	1.8
75.58908	0.5
79.01855	6.0
79.05495	3.4
81.02970	0.7
81.03419	9.1
81.06588	0.5
81.07064	7.8
83.01348	8.0
83.04987	3.6
83.08613	1.8
85.02911	2.8
85.06547	1.1
91.05475	1.9
93.07046	4.8
95.04974	1.0
95.08614	7.0
97.02903	3.6
97.06555	0.9
97.10155	0.7
98.20904	1.3
99.04461	0.9
105.07034	3.1
107.01301	1.9
107.04981	1.2
107.08609	2.1
109.02893	4.7
109.06503	1.6
109.10175	3.9
115.90421	0.4
119.04993	0.5
119.08624	2.1
121.10164	3.0
123.04474	0.6
123.08082	0.8
123.11713	3.7
125.02354	3.8
125.05987	0.6
125.09637	0.5
127.03912	4.4
129.01872	2.1
129.06978	0.6
131.04910	0.5
133.06493	1.1
133.10136	1.6
135.04422	5.2
135.11688	1.2
137.05997	1.7
137.09608	0.5
137.13258	1.2
139.03899	0.6
143.03407	7.2
143.08501	0.7
145.06453	0.6
145.10194	0.7
147.04408	0.5
147.08055	1.7
147.11673	1.8
149.13237	0.8
151.04019	0.5
151.07520	0.7
151.11194	1.0
153.01836	100.0
153.02763	4.1
153.05339	3.6
154.02194	1.3
157.05028	0.5
159.11684	0.6
161.05974	0.7
161.09561	1.1
163.03880	1.3
163.07574	0.7
165.05496	0.5
167.07022	4.0
171.02892	4.7
175.07581	0.7
175.11203	1.1
177.09163	0.5
180.15814	0.4
181.04967	15.9
182.05392	0.5
183.06572	1.8
189.09116	0.8
193.08626	0.7
195.06544	14.5
195.08028	0.5
199.06026	27.7
203.10732	0.6
205.08699	0.4
207.06483	2.1
209.08086	4.4
221.08113	2.2
222.07683	0.5
222.69608	0.5
223.09679	8.9
231.10202	1.4
235.09647	2.9
237.11214	14.1
238.11829	0.4
247.09711	0.6
249.11243	16.7
251.12839	1.5
261.11295	0.9
263.12790	2.9
265.14459	0.8
275.12762	0.9
277.14355	1.8
279.15616	0.5
289.14502	0.9
291.15970	1.5
293.17545	1.1
297.06073	3.6
303.15961	0.8
305.17511	1.3
307.19165	0.5
315.07254	2.6
317.17462	1.0
319.19031	0.8
331.18860	0.5
357.20538	1.3
359.22424	0.5
373.23785	3.3
375.25403	0.6
387.25470	0.8
401.23502	0.6
439.28436	0.8
444.19977	0.5
457.23093	0.9
457.29514	17.6
458.29993	0.8
459.91919	0.4
475.30554	89.4
476.31015	3.4
493.31622	24.5
494.32013	0.9
594.97766	0.5
789.36188	0.9
807.38251	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	808.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	22.6
57.07058	4.5
59.04994	3.0
61.02921	3.5
65.03933	3.9
67.05505	100.0
69.03426	11.8
69.07066	50.8
70.29472	3.3
70.29868	3.3
71.01356	2.3
71.04990	10.8
73.02897	2.6
76.06705	1.3
79.05491	68.6
81.03417	70.2
81.07056	85.6
83.04980	26.0
83.08617	33.6
85.02899	30.3
85.06526	6.6
86.09715	4.6
87.04420	1.7
91.05480	74.9
93.07047	57.4
95.04967	39.5
95.08609	45.8
97.02880	8.7
97.06533	17.9
97.10155	11.9
98.20857	2.4
98.21423	2.3
99.04492	2.4
99.08083	4.4
103.05449	1.7
105.04517	2.1
105.07030	54.8
105.21696	1.4
107.04951	17.1
107.08596	27.5
109.02824	1.9
109.06500	11.3
109.10154	47.1
111.04456	2.8
111.08080	16.3
113.05993	3.8
113.09650	1.4
115.05443	3.6
116.04750	3.4
116.60423	1.3
117.07016	15.0
119.04897	2.0
119.08572	41.6
121.06525	6.6
121.10142	19.1
123.08074	6.5
123.11715	5.6
125.06024	2.4
125.09629	12.4
127.03916	3.1
128.06197	2.4
129.05502	9.7
129.07008	16.1
131.08553	26.0
133.06477	5.6
133.09229	2.4
133.10146	31.8
135.08061	5.7
135.11691	7.2
136.06187	4.1
137.09613	14.5
139.11160	4.0
141.07095	1.7
142.07800	2.5
143.07042	2.3
143.08582	3.0
145.06499	1.6
145.10133	11.5
147.08049	5.6
147.11679	24.5
147.22269	1.6
149.09619	22.9
149.13234	7.5
151.11160	4.4
153.01796	1.6
153.09167	2.8
155.08519	2.1
155.10706	4.1
156.91908	1.4
157.08740	3.5
157.10141	18.4
159.08038	2.2
159.11688	10.6
161.09627	1.6
161.13255	3.7
163.11163	10.4
165.09151	2.8
165.12784	3.7
167.07130	2.0
169.10127	2.6
171.11719	3.3
173.09538	1.4
173.11752	9.8
173.13251	3.5
175.11171	17.7
177.12761	4.0
179.10683	2.3
179.14314	3.1
183.11688	2.0
184.07304	9.4
187.04677	1.7
187.11211	3.2
189.11226	4.6
189.12794	1.9
193.12259	56.5
195.13872	3.8
211.13295	70.8
227.12743	5.8
229.14359	23.2
229.19566	2.3
241.14314	1.9
247.20547	2.7
257.19086	3.8
259.15500	5.4
267.15903	31.8
267.18555	2.2
269.17520	8.7
273.18515	4.9
275.20044	28.7
283.15466	2.1
285.16937	40.9
291.19635	5.5
293.21146	3.7
294.94101	1.4
295.70132	1.4
297.05063	1.5
301.16498	13.2
319.22852	1.5
349.23682	26.4
363.21616	2.2
365.23291	3.2
367.24762	3.9
373.18695	3.3
381.22980	2.4
383.24194	1.6
411.27228	1.4
421.25836	11.9
423.27252	3.5
439.26868	41.2
440.26959	2.2
449.29083	1.7
461.28903	5.1
463.30392	4.1
469.28433	2.6
477.28375	2.4
479.30026	17.1
480.30356	1.9
495.29544	6.8
541.35229	13.1
557.34607	2.2
559.36292	33.4
575.35602	8.8
577.37286	7.4
583.30511	2.4
593.36523	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	808.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06634	0.5
59.07394	0.1
60.08166	6.6
67.05506	0.3
67.76520	0.1
69.07092	0.1
69.69083	0.7
71.07374	3.6
71.08627	0.2
75.36041	0.1
79.05527	0.2
83.08606	0.2
86.09706	29.7
87.10035	0.2
98.21004	0.4
98.98467	3.8
101.34392	0.1
104.10744	2.7
105.07009	0.2
125.00006	20.7
127.20002	0.1
127.20998	0.1
143.01076	0.3
166.02596	0.2
184.07343	100.0
185.07700	0.7
460.99994	0.2
496.33789	0.3
509.48004	0.1
690.46973	2.6
754.53308	0.2
772.54968	1.7
790.55817	1.3
808.57111	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	806.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.5
58.04491	2.0
58.06601	3.4
59.30717	1.9
60.08161	5.6
65.03958	3.5
67.05513	37.2
69.07079	15.6
70.76139	6.0
71.07383	5.0
75.32581	1.9
79.05495	26.9
79.52614	2.3
81.03426	8.6
81.07063	42.8
83.04980	3.3
83.08614	6.2
86.09708	27.3
91.05479	30.9
93.07050	28.6
95.01308	5.1
95.04967	5.2
95.08612	30.7
97.06525	11.8
97.10134	3.4
98.21249	4.2
98.98495	2.7
104.10739	2.4
105.07035	40.2
105.07675	3.6
107.04974	5.9
107.08610	14.8
109.10169	10.6
109.49842	1.9
117.07037	6.6
119.08587	21.6
121.10149	11.4
124.99995	15.3
131.08585	11.6
133.10133	17.7
135.08046	3.0
135.11720	7.8
145.10127	10.3
147.11700	8.8
149.09715	3.1
149.13290	3.2
157.10222	2.8
159.11685	4.6
161.13237	4.5
171.17241	2.2
173.13243	2.6
179.14333	8.0
184.07350	76.3
219.17436	3.8
257.18970	3.9
267.15836	4.4
275.20078	33.9
313.27118	2.1
335.25827	53.9
336.26068	3.1
349.23782	16.6
601.96490	2.3
609.45148	100.0
610.45343	3.9
807.19879	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	806.554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
58.06631	0.4
59.07393	0.1
60.04833	0.1
60.08167	6.3
67.05514	0.3
69.07070	0.2
69.82830	0.2
69.83239	0.5
71.07377	3.6
73.51107	0.1
79.05516	0.3
80.97389	0.1
81.07055	0.3
83.08633	0.2
86.09708	29.4
87.10025	0.2
91.05494	0.2
93.07061	0.1
95.08617	0.2
97.33634	0.2
98.21061	0.3
98.98470	3.1
98.99120	0.2
104.10749	2.6
105.07064	0.2
125.00010	20.5
143.01070	0.3
149.60759	0.1
166.02676	0.1
184.07349	100.0
185.07730	0.8
486.78046	0.1
496.33368	0.2
580.38562	0.2
650.43658	0.4
690.47174	1.9
752.51514	0.2
770.53265	1.2
788.54376	1.7
806.41803	0.2
806.55316	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	806.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	25.3
57.07074	3.5
59.05008	3.2
61.02928	5.7
65.03922	7.1
67.05508	100.0
67.33417	2.1
69.03451	11.4
69.07072	38.4
70.09641	9.5
71.01360	2.9
71.04993	21.9
73.02921	5.9
79.05495	68.8
81.03421	66.9
81.07062	78.4
81.81917	2.3
83.01353	3.5
83.04993	25.5
83.08618	33.4
85.02913	27.8
85.06557	4.6
87.04454	2.6
87.37793	2.2
89.62219	1.9
91.03985	2.6
91.05488	75.3
93.07047	67.3
95.04975	39.9
95.08607	40.1
97.02895	14.4
97.06544	32.4
97.10172	11.1
97.33070	2.4
98.20858	3.5
98.21407	4.5
99.04485	2.4
99.08112	5.7
105.04483	2.3
105.07036	54.3
107.04970	17.3
107.08607	39.6
109.02898	4.8
109.06546	18.0
109.10162	36.3
111.04443	5.6
111.08100	12.9
113.05993	4.4
115.05461	3.8
115.07573	8.6
117.07020	15.6
119.08589	35.9
121.06512	8.7
121.10135	22.3
123.08073	10.2
123.11695	6.2
125.06030	3.9
125.09648	7.8
127.07550	3.6
129.05525	4.4
129.07028	18.6
131.08565	29.2
133.06505	3.6
133.10153	26.2
135.08073	9.1
135.11702	10.6
137.09596	9.9
139.07524	3.6
142.07777	3.9
143.08562	5.5
145.10120	16.2
147.08072	6.3
147.11723	21.8
149.09628	18.8
149.13243	7.4
151.11208	5.0
155.08434	2.4
157.10127	19.8
159.11720	9.1
161.09608	5.9
161.13243	3.8
163.11183	12.3
165.12750	2.9
167.07082	2.6
169.10213	3.9
171.11714	3.0
173.09605	5.3
173.11749	9.4
173.13107	2.7
175.11168	13.5
177.12830	3.4
183.11725	2.9
184.07338	8.5
189.11270	3.1
193.12267	38.9
205.12439	2.9
209.11665	3.4
211.13297	42.6
217.15915	2.6
218.73985	2.3
227.12865	7.8
229.14363	18.7
234.40884	2.3
257.18994	5.9
267.15936	20.9
268.16675	4.7
269.17523	11.6
273.18469	7.8
275.20093	18.4
283.15417	20.6
285.16977	39.9
291.19467	4.3
331.22736	2.4
349.23792	9.5
365.23203	3.1
413.21683	6.0
421.26062	8.1
437.25290	17.6
439.26953	36.3
461.28912	22.0
477.28589	4.5
479.30081	42.5
541.35059	9.1
557.34283	8.9
559.36194	13.2
561.29590	2.4
575.35669	3.1
591.38129	4.5
623.34009	8.9
663.18994	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03230	2.0
57.03437	23.9
57.07073	3.9
61.02911	3.9
64.90489	2.6
65.03928	6.4
65.09218	2.3
67.05505	100.0
69.03433	12.3
69.06722	3.3
69.07071	41.7
71.01347	2.7
71.05006	20.3
71.58231	4.4
73.02898	4.4
79.05058	4.4
79.05492	77.1
81.03418	77.9
81.07059	85.1
83.01320	2.6
83.04979	30.7
83.08620	40.8
85.02902	26.5
85.06514	7.1
86.09704	2.7
91.03953	3.5
91.04904	3.1
91.05479	78.3
93.07047	79.5
95.04966	45.9
95.08601	40.6
97.02885	10.5
97.06536	38.2
97.10173	14.7
98.21225	2.3
99.04442	4.7
99.08103	3.6
103.05437	2.7
105.04522	3.3
105.06376	4.0
105.07031	53.5
107.04961	18.2
107.08591	35.0
107.47147	2.5
109.02837	4.1
109.06530	18.8
109.09460	3.6
109.10164	44.4
109.20724	3.1
111.04460	6.0
111.08092	16.5
113.06013	2.7
115.05379	3.7
115.07581	5.9
117.07054	17.8
119.08578	36.6
121.06482	9.0
121.10152	24.5
123.08053	8.9
123.11720	3.6
123.54095	2.8
125.09618	10.7
126.49030	2.1
127.03905	6.5
128.06166	3.3
128.96959	2.2
129.05484	5.4
129.06985	18.4
131.08572	28.5
133.06491	5.1
133.10132	29.4
135.08058	6.0
135.11682	11.7
137.09607	6.2
139.07553	2.7
139.11224	4.6
141.07011	2.9
142.07767	4.4
143.08543	7.0
144.09373	2.7
145.10115	18.4
147.08058	6.8
147.11684	22.1
148.23759	2.4
149.09627	14.8
149.13246	8.0
151.11101	3.9
155.10611	2.3
157.10097	15.8
159.08057	3.8
159.11679	12.2
161.09639	4.4
161.13239	4.0
163.11217	14.3
165.09262	2.4
165.12708	5.2
167.06958	3.1
171.11664	3.5
173.09642	4.0
173.11691	7.5
173.13162	3.7
175.11171	18.6
177.12775	4.8
181.12410	2.5
184.07356	7.8
189.11131	4.6
193.12250	43.2
209.11737	3.1
211.13298	44.3
219.13954	2.5
227.12764	11.2
229.14339	23.8
239.18027	2.4
249.14970	3.8
257.19034	5.1
259.15356	5.3
267.15945	27.5
268.16586	2.7
269.17410	14.8
269.53729	2.2
273.18414	8.3
275.20053	18.0
283.15460	20.3
285.16959	44.5
289.17776	2.6
291.19522	5.2
301.16449	4.1
349.23941	11.6
421.25732	4.2
437.25656	13.6
439.26880	41.3
443.28143	3.8
461.29037	29.0
477.28345	4.3
479.29971	60.2
480.30252	3.8
537.60010	2.7
541.34833	6.1
557.34351	5.4
559.36230	20.4
591.38379	7.9
605.32037	3.4
623.34460	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	21.8
57.07082	2.0
60.73386	1.8
61.02906	1.7
65.03931	3.6
67.05506	69.1
69.03429	7.7
69.07069	25.3
69.45073	3.4
69.45478	9.4
71.01364	2.0
71.04991	6.6
73.02909	2.1
74.99528	1.6
77.03946	2.6
79.05494	55.5
79.05953	2.9
80.46421	1.6
81.03420	92.3
81.07058	73.0
82.03755	2.6
83.04999	11.0
83.08619	28.6
85.02894	5.4
85.06528	4.0
86.09750	2.2
88.92801	1.4
91.05488	53.1
93.07047	55.0
95.04969	35.4
95.08609	30.1
97.02904	6.5
97.06534	12.0
97.10181	14.5
99.04498	1.9
99.08076	3.6
105.07032	42.8
107.04964	15.4
107.08594	36.1
109.02917	1.8
109.06524	9.5
109.10147	15.5
111.04405	2.6
111.08085	10.7
115.05466	4.3
115.17165	1.4
117.07021	17.6
119.07793	2.3
119.08588	32.6
121.06503	8.8
121.10138	23.4
123.04443	2.4
123.08057	7.1
123.11710	3.5
125.09616	10.3
127.03936	2.1
128.06210	2.9
129.07004	16.9
131.08575	24.1
131.34514	1.5
133.06473	7.0
133.10136	31.2
135.08070	5.5
135.11681	18.0
137.09612	3.8
141.06978	2.6
142.07788	3.6
143.08563	7.8
145.06496	3.7
145.10133	16.3
147.08055	7.1
147.11678	17.9
149.09633	15.4
149.13278	14.8
151.11188	2.0
153.12775	1.9
155.08586	4.3
157.10139	17.1
159.07990	1.8
159.11736	12.8
161.09644	5.2
161.13275	3.6
163.11203	9.4
169.10159	2.1
171.08124	2.9
171.11707	4.7
173.09657	2.7
173.13274	3.4
175.11189	10.5
177.12799	5.4
181.12183	1.8
183.11627	2.7
184.07364	5.9
185.13271	2.8
187.11261	2.5
189.11217	3.9
193.12247	22.9
195.11914	1.7
195.13629	4.1
197.13333	2.6
198.10434	1.6
209.11685	2.9
211.13263	5.1
217.15886	2.9
225.14839	2.4
227.12737	7.8
229.14323	4.3
231.13989	1.8
231.86140	2.0
249.14883	2.6
255.15878	13.2
257.18982	5.3
264.60016	2.0
267.15918	77.6
268.16116	2.0
269.17496	33.2
273.14938	1.7
275.20059	21.1
291.19513	3.7
293.21060	2.4
301.14249	2.0
349.23749	17.0
351.23233	2.1
365.23181	3.0
367.24866	4.8
369.24213	6.6
387.25354	3.5
421.25742	4.1
443.27917	11.5
447.21909	1.9
447.27460	26.1
449.30835	2.6
461.29007	100.0
462.29376	4.5
467.31445	2.3
477.28607	2.1
493.31827	11.4
523.34167	3.0
541.27112	2.0
541.35291	32.8
559.36310	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	806.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	2.4
57.03438	25.9
57.07068	1.8
59.76108	1.3
61.02922	5.5
63.45432	1.4
64.68765	1.3
65.03936	6.2
67.05506	92.0
69.03425	10.6
69.07066	26.4
71.01369	2.4
71.04981	10.2
73.02924	4.1
79.05492	80.8
81.03417	100.0
81.07058	76.6
81.07469	1.4
83.04982	32.0
83.08623	28.6
85.02906	29.4
85.06526	8.3
86.09694	2.9
91.03974	2.9
91.05479	81.9
93.07042	67.4
95.04976	49.6
95.05486	1.1
95.08602	30.5
97.02882	12.6
97.06522	15.1
97.10158	11.4
99.04491	2.7
99.08078	3.5
105.04491	2.2
105.07029	51.5
106.03625	1.4
107.04948	19.0
107.08598	35.4
109.02879	4.0
109.06517	12.6
109.10163	17.6
111.04458	8.7
111.08066	15.3
113.06012	2.8
115.05429	2.6
116.06270	1.6
117.07019	15.7
119.07779	3.2
119.08582	36.2
120.56675	1.5
121.06520	6.5
121.10143	24.2
123.04442	3.3
123.08069	6.0
123.11710	4.6
125.00040	2.6
125.05980	2.8
125.09646	8.3
127.03928	2.5
127.07545	3.0
128.06215	3.7
129.05524	3.6
129.07002	20.5
130.07732	1.9
131.08574	29.0
132.33961	1.5
133.06485	6.5
133.10129	32.2
135.08044	8.0
135.11684	24.0
137.09639	5.9
141.06923	2.5
142.07802	4.5
143.08540	6.3
145.06477	2.5
145.10127	20.8
147.08083	8.7
147.11682	19.3
149.09644	13.3
149.13257	3.2
151.11165	5.1
155.08612	3.0
157.10103	19.1
159.11694	3.2
163.11174	14.5
165.12746	3.2
165.82983	1.6
171.11629	2.1
173.09618	6.0
173.11771	2.8
173.13164	2.3
175.11206	20.9
181.12251	5.3
184.07426	8.7
189.11220	3.3
191.10693	15.9
193.12241	62.5
199.11121	1.9
199.13260	1.9
209.11685	11.6
211.13292	72.7
227.12784	5.8
229.14354	6.9
241.14250	1.9
243.15904	7.8
253.14162	1.8
255.15904	18.4
265.14328	3.6
267.15900	44.1
268.16391	2.2
269.17477	7.7
275.20139	5.9
283.15405	28.1
285.16953	54.0
301.16553	8.1
349.23737	4.8
399.24338	1.6
435.27496	3.0
439.26962	3.3
443.28232	2.1
447.27521	7.2
453.28427	6.4
461.28995	25.3
465.28439	11.7
475.27036	4.8
493.27701	10.1
511.28867	9.0
541.35339	9.7
551.32684	1.9
559.36395	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	806.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.8
57.03440	25.7
59.04993	4.7
61.02910	5.0
65.03940	3.4
67.05506	100.0
69.03422	9.7
69.07070	18.1
69.27663	8.6
69.28079	3.7
71.01340	2.2
71.04988	10.4
73.02905	2.9
79.05495	50.5
80.05830	2.1
81.03419	74.4
81.07057	56.6
83.04982	24.5
83.08135	2.1
83.08618	37.0
85.02421	2.2
85.02906	34.8
85.06525	5.6
87.04465	3.0
91.03938	2.2
91.05484	54.3
93.07049	34.1
95.04972	31.1
95.08607	23.4
97.02898	8.5
97.06524	8.8
97.10160	16.9
98.20705	3.2
98.21391	4.8
99.08087	1.6
105.07037	31.9
107.04967	11.2
107.08601	20.0
109.02864	1.4
109.06531	7.0
109.10154	56.1
110.10468	1.6
111.04433	4.7
111.08092	12.4
113.06018	2.0
115.05442	3.6
115.20277	1.4
117.07008	5.5
119.08586	31.5
121.06499	3.6
121.10163	11.8
123.08054	5.4
123.11723	1.6
125.08858	1.8
125.09650	16.7
129.05464	3.4
129.07010	14.3
131.08569	15.9
133.06474	4.3
133.10135	17.1
135.08064	3.0
135.11690	9.0
137.09586	6.5
142.07784	3.3
143.10666	2.5
145.10098	9.0
147.08043	5.1
147.11693	18.2
149.09642	8.4
151.11168	2.9
153.12703	2.5
155.08574	2.5
155.10669	2.9
157.10123	15.1
157.66986	1.7
163.11218	11.2
165.12729	4.0
167.67584	1.3
173.09489	1.7
173.11778	21.7
173.13219	2.9
175.11186	17.5
181.12206	2.1
184.07327	2.4
191.10709	3.8
193.12250	60.4
194.12535	2.0
199.13243	6.9
209.11703	6.0
211.13297	77.3
212.13574	2.0
221.94855	1.4
227.12791	7.5
229.14352	49.0
249.14697	2.4
253.14268	2.8
267.15897	24.9
269.17456	3.8
275.20300	1.9
281.99146	1.4
283.15457	6.5
285.16962	55.6
285.31775	1.3
301.16516	11.4
338.45425	1.4
352.45483	1.4
399.23761	17.3
409.25845	3.4
411.83554	1.6
421.25861	11.3
423.27271	3.8
427.26779	3.4
439.26923	40.3
440.26968	1.8
446.73230	1.7
475.26691	1.5
493.27722	3.4
495.31180	1.4
511.28729	8.4
529.29962	3.0
559.34882	2.0
591.35437	2.5
609.36438	33.3
609.45831	1.6
685.26526	1.7
717.00983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	2.7
57.03437	35.3
57.07066	3.2
58.93988	1.4
59.04994	2.0
61.02912	7.2
63.47491	1.6
63.94951	1.4
65.03937	7.1
67.05505	100.0
69.03431	17.4
69.07066	29.5
69.24113	3.6
69.24529	13.3
70.04183	1.5
71.01351	5.5
71.04990	10.0
73.02908	9.1
79.05493	78.1
81.03416	38.0
81.07057	86.6
82.04190	4.0
83.04984	27.1
83.08621	26.0
84.05752	2.1
85.02899	16.6
85.06514	4.9
86.09702	2.5
87.04466	2.2
91.03953	3.8
91.05481	75.5
92.06237	2.6
93.07040	63.7
94.04166	2.7
95.04968	34.8
95.08610	36.5
96.05756	2.2
97.02881	15.6
97.06539	18.6
97.10159	21.2
98.07299	5.8
99.04398	3.4
99.08090	4.1
103.03988	2.3
103.05496	1.8
104.49816	1.5
105.04510	3.0
105.07024	42.4
107.04956	18.0
107.08595	37.9
109.02838	2.1
109.06537	10.7
109.10159	26.2
111.04424	4.6
111.08060	10.7
115.05396	1.7
116.04739	8.2
117.07030	16.8
119.04923	1.9
119.07787	2.4
119.08584	28.9
121.06484	7.0
121.10128	15.3
123.08060	16.3
123.11687	7.2
125.06039	2.9
125.09609	19.4
127.03898	3.1
127.07536	1.7
128.06198	2.7
129.05476	25.7
129.07005	12.5
131.08568	19.0
133.06476	3.9
133.10133	29.5
135.08047	10.0
135.11697	27.8
137.09599	6.3
139.07523	1.7
142.07712	2.0
143.07031	6.8
143.08536	2.9
145.10112	14.4
147.08061	6.8
147.11673	12.4
149.09645	8.9
149.13208	4.6
151.11154	6.0
153.12730	1.6
155.08618	1.7
155.10527	1.9
157.08748	9.4
157.10104	8.4
159.11676	4.6
161.09615	4.4
161.13176	2.3
163.11206	14.1
165.12704	3.6
167.07082	1.8
167.08502	1.7
171.06578	4.0
171.10179	1.8
171.11655	1.8
173.04436	3.0
173.09650	2.4
173.11746	4.2
173.13216	2.2
175.11201	12.7
181.12228	4.7
184.07332	6.3
185.13197	2.2
187.13277	5.0
189.11195	7.1
191.10632	3.8
192.11176	1.6
193.12222	18.3
195.13777	2.8
199.13214	8.8
200.14046	3.2
209.11676	4.8
210.12492	3.5
211.13232	13.2
211.75746	1.6
227.12766	18.9
229.14285	7.6
243.15967	7.1
253.14285	5.3
255.15862	25.7
267.15894	18.1
269.17380	4.5
273.18518	4.4
275.20090	5.3
283.15338	4.5
285.17004	11.3
291.19534	7.2
301.16437	48.2
302.16434	1.8
349.23712	3.7
365.23376	3.1
439.26794	5.5
443.53305	1.8
463.30469	2.4
469.27612	3.4
481.28009	8.1
495.29410	2.3
559.35339	2.2
609.36072	3.3
659.98914	1.7
709.37701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.6
70.55774	0.5
71.56075	0.8
85.02895	1.2
97.02905	1.4
119.01917	0.7
120.95394	0.6
123.25800	0.5
124.21637	0.5
127.26064	0.6
131.01871	0.8
138.96367	0.8
143.01883	1.6
145.03458	0.7
155.01883	0.8
156.97466	4.6
161.02922	0.9
173.02953	2.0
173.52951	0.8
174.98552	4.5
180.97455	12.9
185.02979	2.5
197.03056	0.6
198.98540	100.0
199.98586	2.6
203.04039	0.7
210.98590	3.2
213.00116	2.2
215.04103	0.7
216.99599	28.9
217.99779	0.9
222.00134	1.6
222.98473	2.2
223.28764	0.6
225.00009	1.1
227.04166	0.8
228.99635	9.1
231.01109	0.8
234.98444	3.6
240.99561	15.6
241.99678	1.0
245.05084	4.5
247.00642	1.6
252.99670	1.8
259.00629	7.1
263.06223	0.8
271.00473	0.6
277.01889	0.9
283.00629	11.0
284.06445	0.9
301.01688	28.5
302.01929	0.9
303.01425	0.8
319.02731	6.6
320.02725	0.7
343.02530	0.8
366.09488	0.6
421.32300	0.6
463.07013	57.6
464.07541	2.5
481.08078	1.9
610.55603	0.6
789.22711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.2
65.03916	4.5
67.05504	64.7
69.03432	6.9
69.07073	13.4
70.70076	3.4
71.04993	6.2
71.05348	1.4
71.77531	1.2
73.02955	1.4
79.05494	42.7
81.03419	80.2
81.06576	2.8
81.07058	65.8
83.04982	14.3
83.08618	18.6
85.02893	3.8
85.06525	6.0
91.05482	66.3
91.52522	1.4
93.07042	43.1
95.04966	31.9
95.08606	22.7
97.02857	2.9
97.06532	6.4
97.10145	4.3
99.04439	2.5
99.08111	1.5
103.05450	1.7
105.07027	52.9
106.07377	1.5
107.04960	13.7
107.08598	38.6
109.02866	1.8
109.06532	10.4
109.10155	50.7
111.04446	3.3
111.08088	8.9
113.06002	3.0
115.05466	2.9
117.07017	11.8
119.07774	2.1
119.08578	21.9
121.06498	8.4
121.10135	11.5
123.04453	2.6
123.08090	6.5
123.11718	9.0
125.09617	2.3
127.07554	2.7
128.06175	1.9
129.07018	12.4
131.04944	1.7
131.08563	17.1
133.06529	6.8
133.10130	65.2
135.08026	6.7
135.11696	9.1
137.09578	4.8
141.07002	1.9
142.07771	3.2
143.08546	7.0
145.06479	2.7
145.10130	9.3
145.28860	1.4
147.08052	7.5
147.11694	11.0
149.09607	10.6
151.11191	29.1
153.12741	1.7
155.10632	1.5
157.10135	10.5
159.08049	3.3
159.11667	5.4
161.09627	7.9
163.11217	7.5
165.12846	2.8
169.10072	1.6
169.12248	4.1
171.11700	2.5
173.09634	3.1
173.13266	1.6
175.11185	13.5
177.09123	1.5
177.12779	1.4
179.10675	3.9
183.11586	1.3
184.07266	1.9
187.11012	1.7
193.12247	25.6
203.14236	1.8
205.12192	2.0
215.12704	1.5
219.13722	1.8
227.12804	3.8
229.14369	3.5
233.15143	1.5
245.18939	3.8
249.14963	2.0
253.14354	100.0
263.20114	3.3
267.15921	71.5
268.16171	1.4
273.18509	19.5
280.31760	1.6
283.15225	6.2
287.20084	9.4
291.19522	23.0
301.16403	2.1
309.20566	3.1
331.69769	1.4
343.22495	1.7
347.22180	7.5
365.23184	30.6
383.24338	1.7
389.22955	3.5
437.25342	2.1
445.25778	17.9
447.28885	3.8
463.26947	24.4
465.29828	5.5
483.30936	3.3
539.33667	16.0
557.34766	93.2
558.34558	2.1
575.35968	3.1
607.35175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.7
57.03438	21.6
57.07079	6.4
57.95187	1.1
59.05000	2.5
61.02934	7.4
65.03936	6.9
67.05507	100.0
69.03437	13.1
69.07072	50.0
70.53036	3.9
70.53387	1.6
71.01357	2.4
71.04991	9.1
73.02916	6.0
78.04719	1.6
79.05495	63.9
81.03420	38.6
81.07059	66.2
82.04206	4.4
83.04986	20.1
83.08623	19.9
85.02914	11.8
85.06541	5.8
86.09701	1.7
87.04484	2.2
91.03967	3.0
91.05485	62.3
93.06459	3.1
93.07050	54.4
95.04976	26.6
95.08608	41.1
96.05793	1.8
97.02909	9.2
97.06535	19.4
97.10171	20.7
98.07329	4.7
98.21191	2.8
99.04456	3.8
99.08079	2.8
105.04552	1.6
105.07034	48.7
107.04958	16.0
107.08598	35.2
109.02895	3.5
109.06521	9.6
109.10155	49.6
111.04477	3.4
111.08112	8.8
113.06011	1.9
115.05463	2.4
115.07571	1.4
116.04713	7.5
116.06228	1.6
117.07015	14.3
119.08588	33.6
121.06523	5.1
121.10162	15.7
123.08077	10.7
123.11710	5.2
125.09637	22.3
127.03939	2.1
127.11217	1.7
128.06245	2.8
129.05487	21.2
129.06969	9.8
130.07813	1.9
131.08572	21.8
133.06505	3.0
133.10141	29.0
135.08061	6.4
135.11696	10.6
137.09618	12.1
139.11159	1.7
141.07037	1.9
142.07764	2.9
143.07053	5.0
143.08568	5.6
145.06529	2.1
145.10146	17.5
146.10832	1.5
147.08047	3.7
147.11696	13.7
149.09618	22.4
149.13310	2.0
151.11200	6.1
153.09113	2.6
153.12703	1.9
155.08568	3.1
155.10675	3.0
157.08745	10.0
157.09982	9.2
159.11673	7.7
161.09636	2.5
161.13275	3.1
163.11203	13.9
165.09155	2.1
165.12752	3.1
171.06583	1.8
171.10172	5.1
171.11736	4.6
173.09622	2.9
173.11745	11.4
173.13261	5.1
175.11188	9.6
177.12788	2.4
179.14243	3.5
181.12222	2.4
184.07399	4.6
185.11697	1.9
187.11272	1.7
189.11235	6.0
189.12692	1.6
191.10703	2.7
193.12241	12.7
197.13344	2.2
199.13304	8.1
200.14177	1.5
201.14851	1.8
205.12341	2.0
207.13918	1.5
209.11720	5.6
210.12592	1.5
211.13312	10.4
213.09196	1.7
215.18060	1.6
218.29820	1.3
223.13309	2.8
227.12766	10.6
229.14351	16.1
239.18025	2.6
243.16068	1.7
245.18907	1.7
247.20624	2.7
249.14908	1.6
249.80804	1.3
253.14217	9.0
255.15974	5.6
257.19086	6.4
267.15918	9.8
269.17383	2.7
273.18515	6.1
275.20071	24.9
283.15472	4.1
283.18878	1.4
285.17001	6.6
291.19547	13.4
293.21207	3.1
297.17154	1.6
301.16446	37.5
349.23773	24.8
361.74976	1.6
365.23300	4.7
375.43140	1.5
397.22314	3.2
421.25760	1.6
425.25546	1.7
439.26669	4.0
455.26392	6.0
461.28894	2.5
477.28870	1.5
478.22656	1.5
479.29932	5.2
519.33228	2.4
541.34833	1.5
559.35962	2.0
575.35809	18.3
609.36304	3.2
789.43970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	18.6
57.07079	50.9
61.02927	3.5
64.48672	1.9
65.03936	4.3
67.05506	57.1
67.84624	1.8
69.03431	7.8
69.07070	31.8
69.60642	1.8
69.65694	7.5
69.66099	3.8
71.04990	4.6
71.08630	37.6
72.21277	1.8
77.83630	1.5
79.05498	37.1
81.03420	12.6
81.07060	77.1
83.04966	10.5
83.08614	22.7
85.02892	5.8
85.06541	4.1
85.10184	19.6
89.06053	2.2
90.34095	1.8
91.05482	38.9
93.07041	41.0
95.04972	10.7
95.08043	3.7
95.08610	51.8
97.02879	4.3
97.06516	11.4
97.10167	6.0
98.21130	5.9
99.08129	3.2
105.07037	26.2
107.04958	8.1
107.08597	25.5
109.06527	4.1
109.10145	18.5
111.08080	5.4
115.05419	2.1
117.07024	13.2
119.05038	1.8
119.08573	18.4
121.06487	5.1
121.10147	13.9
123.08119	3.1
123.11713	7.7
125.09644	1.8
127.03938	3.5
129.07014	3.8
131.08525	13.4
133.10147	19.4
135.08018	4.0
135.11696	13.7
141.07002	2.2
143.08536	3.6
145.04973	2.5
145.10124	9.7
147.11656	6.6
149.09641	10.5
149.13278	10.9
157.10126	3.2
159.11676	9.1
161.13310	2.4
163.11205	8.0
165.35291	1.8
173.13332	2.7
177.12772	5.1
184.07339	3.0
195.13831	6.6
227.12767	2.8
229.19464	2.6
239.23746	4.7
247.20493	2.0
251.16469	1.9
255.15895	16.8
257.19003	7.3
257.24866	2.4
269.17496	39.7
275.20068	23.6
284.89676	1.8
293.20966	2.1
313.27350	92.7
314.27695	3.0
349.23801	25.4
367.24335	3.9
413.21628	4.1
436.66330	1.8
491.41400	2.5
493.38922	22.9
507.40475	100.0
508.40738	4.5
523.53955	1.9
587.46576	26.2
605.47809	8.8
729.58899	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	804.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03178	1.7
57.03438	18.0
57.07065	1.5
59.05007	4.8
61.02919	5.2
65.03924	2.3
65.33124	1.0
67.05505	69.1
69.03418	4.7
69.07067	9.9
69.52614	1.2
71.01330	3.0
71.05000	6.1
71.08595	1.0
71.57884	1.0
73.02904	3.6
79.05064	2.3
79.05497	38.1
79.05958	1.9
81.02976	1.8
81.03423	19.4
81.07059	33.6
83.01340	9.8
83.04982	18.8
83.08150	1.3
83.08621	20.6
83.12774	1.1
85.02906	16.0
85.06541	3.9
87.04461	4.4
91.03922	1.6
91.04957	1.9
91.05480	24.6
93.07043	32.6
95.04973	11.3
95.08607	14.2
97.02893	6.2
97.06521	6.6
97.09594	1.7
97.10171	13.5
99.04440	2.5
99.08094	2.0
103.03936	1.9
105.07039	13.6
107.04942	11.9
107.08592	20.1
107.47325	1.0
109.06522	9.3
109.10158	48.0
111.04417	4.6
111.08087	5.3
113.05995	1.1
117.07014	9.7
119.08570	15.1
121.06488	4.7
121.10141	9.3
123.04413	1.2
123.08089	9.2
125.05946	1.6
125.09635	12.9
127.03905	1.2
129.05482	2.5
129.06987	2.1
130.07767	1.4
131.08548	5.4
133.10126	4.3
135.08046	2.3
135.11700	15.0
137.09602	5.8
143.08586	1.5
143.10672	1.1
145.06490	1.6
145.10133	20.9
147.08057	4.0
147.11688	2.0
151.11166	1.0
153.12703	5.4
155.08578	2.0
155.10657	2.5
159.11685	1.4
163.11197	31.8
173.09622	5.1
173.11737	15.2
173.13150	1.7
181.12221	7.5
184.07359	1.4
191.10706	5.4
193.12198	2.3
199.13292	5.9
209.09973	1.7
209.11771	16.3
211.13312	2.0
227.12775	12.0
229.14348	46.0
257.13815	1.8
267.15933	3.9
268.97162	0.9
283.15402	100.0
284.15747	2.0
301.16479	11.1
331.38818	1.0
340.62955	1.2
399.23788	12.4
407.24368	1.9
425.25305	5.4
437.25394	32.8
438.25845	1.3
475.26758	1.5
491.26526	2.4
509.27509	8.8
527.28375	2.1
586.84668	1.2
607.34741	24.8
694.62695	1.2
766.38849	1.3
783.33386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71828	0.3
58.96302	0.3
61.02914	0.5
65.30621	0.3
69.03440	1.8
71.56277	0.5
73.02898	0.5
78.30453	0.3
83.06522	0.3
85.02892	2.4
92.17827	0.3
97.02895	1.8
98.20829	0.3
99.04444	0.3
101.00896	0.6
109.02862	0.4
112.83789	0.3
119.01894	1.3
120.95446	1.3
127.03915	1.9
131.01897	0.9
137.02831	0.3
138.96455	0.9
143.01884	2.2
145.03448	0.6
145.04971	0.5
147.23653	0.3
149.99722	0.4
153.01833	1.6
155.01881	1.6
156.97469	4.7
161.02933	1.8
163.44235	0.3
167.01872	0.8
173.03009	2.5
174.98570	4.9
177.98083	0.4
178.48146	0.3
179.01915	0.4
180.97467	9.6
182.99054	0.5
185.03015	2.9
192.97563	0.4
194.99074	0.5
197.02972	1.0
198.98550	100.0
199.98672	2.3
203.03951	1.5
210.98563	3.3
213.00113	3.4
215.04105	0.5
216.99608	34.2
217.99776	1.1
221.05112	1.0
222.00092	2.6
222.98567	1.5
223.09531	0.3
225.00116	1.1
226.09146	0.4
227.04002	0.4
228.99635	10.6
231.01155	0.9
234.98587	4.2
239.53510	0.3
240.01175	0.9
240.99586	16.2
241.99846	0.5
243.01250	0.9
245.05075	5.7
247.00609	1.9
252.99649	2.3
257.05145	0.4
259.00626	7.9
263.06277	0.7
264.99564	0.8
271.00662	1.1
275.06097	0.6
277.01172	0.5
277.03528	0.9
282.02158	0.4
283.00644	9.5
291.17819	0.3
294.93259	0.7
295.21982	0.3
301.01691	27.3
302.01819	0.9
303.01312	2.9
304.01730	0.7
305.07315	0.6
318.93069	0.4
319.02692	7.2
333.05600	0.5
333.55936	0.4
342.04276	1.0
343.02853	0.8
348.93707	0.4
365.09695	0.3
373.03781	1.2
378.95880	0.4
379.01126	0.5
382.04437	1.2
382.54373	0.9
463.06964	62.2
463.57199	0.5
464.07425	2.3
481.07828	1.6
633.57568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.0
57.07078	17.6
60.08155	1.9
61.02923	1.1
65.03929	1.6
67.05507	35.1
67.51421	0.6
69.03432	3.1
69.07066	11.6
70.71361	1.6
71.04999	4.1
71.07365	1.1
71.08626	11.8
73.02916	0.8
79.05067	1.0
79.05499	19.5
81.03425	4.0
81.07057	42.0
83.04980	6.9
83.08615	7.5
85.02867	1.4
85.06538	3.5
85.10185	7.5
86.09714	9.1
91.03948	0.8
91.05481	29.2
93.03470	0.6
93.06463	1.1
93.07044	19.5
95.04979	5.3
95.08608	18.5
95.09218	0.9
97.02918	1.0
97.06546	3.8
97.10165	2.7
98.98482	1.1
99.04447	1.2
99.08139	1.2
103.05468	0.6
103.07467	0.7
105.04523	1.0
105.07033	27.0
107.04953	5.0
107.07862	1.2
107.08595	22.0
109.06515	4.2
109.10158	35.1
110.10457	0.8
111.04415	1.0
111.08057	1.1
112.16833	0.6
113.06003	1.4
115.58437	0.6
117.07037	4.0
119.08582	5.7
121.06486	4.1
121.10144	3.8
123.08057	1.9
123.11706	8.0
125.00015	6.6
125.09595	1.1
127.07520	2.3
128.06172	1.0
129.06995	2.6
131.08551	7.1
133.06476	2.2
133.10133	41.3
135.08063	4.2
135.11707	3.1
137.09644	0.9
141.07001	1.0
143.08562	2.5
145.10117	4.3
147.08009	1.8
147.11661	2.1
149.09627	4.7
151.11185	18.4
153.12791	0.7
157.10149	2.0
159.08064	1.0
159.11655	1.9
161.09624	3.8
161.13336	0.9
163.11200	0.8
169.12247	4.5
171.11664	1.6
175.11203	1.8
177.09148	1.1
177.12727	1.0
179.10634	0.8
184.07343	33.8
188.46509	0.7
189.12773	1.5
195.00278	0.7
197.11697	0.9
215.12788	2.3
227.17976	1.5
237.16310	0.9
239.23581	1.2
245.19002	3.3
251.12746	3.0
253.14352	100.0
254.14687	1.9
255.17386	1.6
263.20102	2.0
273.18475	17.7
274.18765	0.7
284.10034	0.7
291.19574	16.9
309.20554	1.3
313.27371	40.1
314.27579	1.4
341.26950	2.0
347.22144	7.7
365.23212	24.6
366.23544	0.9
507.36816	1.8
509.38361	16.6
510.38757	0.8
521.37500	0.7
523.40131	0.8
585.44934	3.6
603.46210	48.1
604.46375	3.0
621.46613	1.3
628.45813	1.4
712.69214	0.8
782.56671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.0
57.07085	20.5
57.18771	1.2
65.03945	1.4
67.05510	29.7
69.03436	4.2
69.07069	11.6
71.04990	1.6
71.08633	15.1
71.57861	1.6
79.05499	34.6
81.03410	2.9
81.07063	24.8
83.05000	3.6
83.08630	20.5
85.02908	2.1
85.06558	1.2
85.10194	5.3
86.09706	1.8
91.05470	16.7
93.07049	15.5
95.04984	3.0
95.08608	17.5
97.06559	2.0
97.10177	40.1
98.21171	1.5
99.08101	1.3
105.07041	19.7
107.04979	3.1
107.08600	43.5
109.02871	2.7
109.06506	2.1
109.10175	10.8
111.08054	1.7
117.07050	4.9
119.08580	11.5
121.06492	1.1
121.10184	3.9
123.11717	4.1
125.09631	32.2
127.03854	3.2
129.07057	2.5
131.08563	5.1
133.10130	10.1
135.08063	5.7
135.11684	1.8
137.13367	1.3
143.08531	1.5
143.10715	2.1
145.10127	14.2
147.11737	6.7
149.09665	5.7
153.09116	2.3
157.10133	1.6
159.11687	4.0
161.13252	2.3
163.11223	2.0
169.79553	1.2
171.10207	2.1
171.11700	2.4
173.13245	1.5
181.04977	1.7
183.11790	1.9
184.07370	4.7
189.11212	19.4
227.12796	100.0
228.49628	1.1
229.19627	1.7
239.17969	3.0
239.23627	2.8
255.16022	1.4
257.19040	11.2
257.24786	1.3
275.17401	1.1
275.20068	43.5
313.27393	70.0
314.27563	1.9
331.22614	9.4
342.01419	1.2
349.23740	43.5
350.24432	1.2
389.18018	3.2
483.36774	9.4
569.45917	2.7
587.46753	55.2
588.46704	3.4
605.47760	2.5
609.40381	1.5
627.41187	3.2
802.46899	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	800.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.0
57.07088	15.5
59.25529	2.9
61.02939	4.9
64.43620	3.5
67.05512	88.9
69.03429	10.8
69.07076	54.7
70.76460	4.8
70.76788	4.5
71.04996	6.2
71.08630	9.2
79.05504	51.7
81.03419	14.4
81.07069	86.4
82.07420	4.0
83.04986	11.4
83.08625	30.9
85.02916	9.5
85.10219	3.5
86.09730	3.6
91.05490	44.4
93.07047	56.6
95.04981	12.3
95.08614	52.8
97.02880	4.3
97.06549	16.1
97.10180	13.9
98.21041	5.0
98.71967	3.9
99.08118	4.1
105.07039	28.2
107.04970	9.9
107.08607	32.8
109.06568	4.7
109.10128	19.5
111.08124	3.1
117.07031	16.7
119.08611	16.9
121.06547	5.9
121.10159	32.6
123.11735	6.8
125.00027	5.6
125.09638	4.7
127.03948	4.8
129.06966	4.0
131.08543	16.7
133.10144	18.0
135.08076	4.7
135.11716	24.3
137.05992	3.7
137.09558	3.3
143.08528	4.5
145.10144	13.3
146.15524	3.1
147.11711	6.6
149.09641	10.9
149.13286	12.5
153.12836	3.0
159.11731	13.2
161.13280	3.4
163.11137	4.2
173.13316	3.9
177.12740	5.4
181.04593	3.9
184.07422	12.6
195.13824	6.1
227.12753	3.4
237.22179	8.0
239.92854	3.3
247.20607	3.5
255.15961	11.1
257.19110	7.3
267.15918	4.5
269.17523	28.4
275.20108	26.0
311.25824	100.0
313.27524	4.2
313.88739	3.3
339.18176	3.6
349.23779	28.3
481.38898	3.8
491.37396	25.0
505.38934	90.1
506.39267	4.7
522.90369	3.6
545.42474	4.0
585.45300	28.5
603.45923	11.9
649.43103	3.8
650.58130	3.9
737.80182	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	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85276	0.7
57.03447	2.7
61.02925	7.0
67.05502	6.4
69.03446	4.1
69.07066	1.9
70.71291	1.3
70.71648	0.7
73.02921	4.9
79.05493	4.4
81.03434	1.1
81.07050	6.5
85.02911	6.1
87.04440	0.7
91.03954	3.9
91.05492	2.0
93.07052	4.4
95.08617	5.4
97.02888	6.2
98.20956	0.5
101.02360	2.8
105.07041	1.6
107.08583	3.1
109.02902	0.7
109.10157	1.3
111.08094	0.6
117.64879	0.7
119.08581	1.4
121.10157	1.8
127.03921	1.9
130.35164	0.6
130.82819	0.5
133.10104	1.3
135.11707	0.9
145.10219	1.2
182.29846	0.7
184.07381	0.9
243.08493	2.0
258.20810	0.5
335.25928	0.9
368.48489	0.6
519.29303	14.7
520.29681	0.8
535.00433	0.6
720.00433	0.7
797.51752	100.0
798.51813	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	798.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.9
57.07074	0.3
58.06618	0.5
60.08167	6.6
67.05505	0.9
69.07079	0.2
71.07368	3.3
71.58619	0.3
79.05502	0.4
81.07063	0.9
86.09705	29.7
91.05459	0.3
93.07033	0.3
95.08593	0.6
98.20781	0.2
98.98470	3.3
104.10740	1.8
119.08582	0.3
120.08936	0.3
125.00005	19.6
145.45729	0.2
184.07343	100.0
185.07648	0.7
187.64670	0.2
191.06984	0.3
226.71707	0.2
247.99278	0.2
311.91101	0.3
313.26987	0.2
341.56522	0.2
601.44574	0.2
780.55127	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	799.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	13.2
57.07081	2.0
61.02925	2.5
61.97793	1.2
65.03938	4.2
67.05507	49.2
68.99815	1.3
69.03432	40.8
69.07067	7.9
69.27758	13.2
71.01339	2.1
71.04982	9.0
73.02921	6.3
74.27860	1.1
79.05498	29.2
81.03420	100.0
81.07057	32.4
82.03755	2.2
83.01344	1.7
83.04981	24.9
83.08615	17.1
84.95633	1.1
85.02908	20.6
85.06555	4.1
86.09685	2.2
87.04476	1.6
91.05487	31.1
92.05817	1.4
93.07041	21.1
94.04188	2.1
95.04971	26.9
95.08616	13.6
97.02898	33.6
97.06517	5.9
97.10168	9.9
98.21122	6.9
99.04466	8.4
99.08086	1.6
101.02386	3.6
103.03963	2.2
103.71326	1.2
105.04530	1.6
105.06381	1.5
105.07040	19.7
107.04958	15.2
107.08593	15.4
109.02875	22.8
109.06504	6.7
109.10162	23.5
111.04446	13.4
111.08074	8.5
113.02391	1.8
115.03932	2.6
115.05473	1.6
117.07023	7.2
119.04947	3.0
119.08597	15.0
121.02835	1.6
121.06513	5.4
121.10183	8.9
123.04448	6.4
123.08076	5.7
123.11703	3.6
125.00002	2.6
125.02369	1.4
125.05974	2.4
125.09637	8.4
127.03921	18.4
129.05428	4.0
129.07014	9.2
131.04916	2.3
131.08575	9.1
133.06505	4.8
133.10120	11.4
135.04422	5.7
135.08026	4.3
135.11682	6.0
137.05986	3.8
137.09662	2.6
141.06938	1.8
142.07756	1.7
143.03452	2.7
143.08565	2.2
145.04930	1.6
145.06519	4.5
145.10114	7.4
147.04407	4.4
147.08049	3.7
147.11693	11.8
149.06020	2.1
149.09610	5.9
151.03929	3.4
153.01854	2.4
153.05458	3.4
153.12747	4.5
155.08528	2.3
155.10617	1.9
157.06499	1.5
157.10115	7.0
161.06029	2.2
161.09639	2.7
163.03960	2.6
163.07553	1.4
163.11143	7.8
165.09196	1.3
165.12782	3.6
169.10118	1.6
173.04462	14.3
173.05861	2.6
173.09595	2.0
173.11734	8.3
175.07579	1.4
175.11194	7.3
181.04886	1.9
181.12241	3.8
184.07368	10.9
185.07758	1.7
187.11156	1.5
189.05415	1.4
189.11218	3.3
191.10654	4.6
193.12251	24.5
199.06052	4.8
205.12245	1.8
209.11658	6.6
211.13306	30.6
212.13724	1.3
213.12752	1.7
217.07100	1.7
222.51129	1.2
227.12730	13.1
227.14500	1.2
229.14345	12.3
230.14740	1.6
231.13914	1.3
235.13330	2.8
243.13713	1.3
247.13322	1.4
249.14926	1.5
251.22382	1.5
253.07025	2.6
265.14462	1.9
267.15936	15.8
273.14893	2.3
281.13571	1.4
283.15439	7.4
285.16956	9.7
301.14285	2.8
309.17297	1.4
319.15454	2.2
337.16434	2.9
353.15945	2.8
355.17557	1.6
364.36993	1.2
370.29138	1.5
373.18652	1.8
421.25793	9.8
422.26541	1.8
427.19705	4.2
439.26868	10.9
440.27393	7.1
447.27133	1.9
457.25964	3.0
475.26791	10.9
493.27975	3.5
529.27527	1.4
565.30054	2.6
583.30835	7.5
601.30371	1.5
619.30792	4.9
637.31927	9.8
763.33624	1.6
781.36420	3.0
799.36871	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	795.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
60.08189	1.2
61.02932	6.7
67.05511	5.9
69.03440	4.6
69.07063	2.1
69.75169	2.6
69.75581	1.2
71.07368	0.7
73.02916	4.6
79.05495	5.1
81.03437	4.6
81.07062	5.1
83.04987	1.6
83.08630	1.9
85.02906	7.4
86.09724	6.4
91.03957	4.5
91.05484	4.8
93.07059	5.2
95.04974	2.7
95.08634	2.3
97.02909	5.9
97.06539	1.1
97.10182	0.9
98.21271	2.0
99.04490	1.1
101.02393	2.3
105.07019	3.2
107.04995	0.9
107.08602	3.1
109.02891	2.1
109.10169	2.4
111.08106	1.2
115.03957	0.7
117.05545	1.4
117.07021	0.9
119.08619	1.8
121.10136	1.9
125.00019	4.1
125.09644	0.8
127.03956	2.7
129.05548	2.0
129.07042	1.0
131.08588	1.5
133.10172	1.6
135.11740	2.0
145.10159	1.6
147.11760	1.7
149.02339	1.3
175.11311	1.1
181.12267	1.2
184.07365	22.8
185.04274	3.9
185.07611	3.2
193.12317	2.1
195.40076	0.7
199.05763	0.9
200.20236	1.1
201.03784	1.1
203.05374	1.1
211.13373	1.1
221.11559	1.4
223.13351	0.8
241.06981	0.9
243.08388	6.3
250.00854	0.8
251.12611	2.6
283.15991	0.8
301.08945	11.0
301.12122	0.9
301.37045	0.7
315.10681	3.1
333.20349	4.6
349.16278	1.1
355.13626	0.8
357.15317	1.9
369.15305	1.2
373.10995	4.8
383.16565	1.6
384.49866	0.6
385.18399	7.0
387.12952	1.1
413.18060	0.9
415.15857	0.8
429.17349	2.3
431.24158	2.1
439.19376	7.8
443.19113	2.4
453.21030	1.0
457.20749	1.4
469.20547	14.4
477.24893	3.1
481.20175	3.2
485.20074	2.2
487.21500	0.9
499.22055	1.8
515.33600	0.9
519.37946	0.8
528.21899	2.2
529.77563	0.7
541.22412	7.8
549.27283	2.1
551.28308	4.8
561.34491	0.7
567.28198	1.7
597.29840	1.0
603.68732	0.7
610.30505	0.8
611.30573	2.5
612.31171	2.2
612.76666	0.9
623.30420	3.4
625.32318	1.5
637.32123	1.3
641.31561	2.4
651.34192	1.5
667.33032	20.3
668.34003	0.9
693.38348	2.8
709.34106	20.0
710.34741	1.2
749.41016	3.4
777.40527	7.4
778.41150	0.8
795.41370	100.0
796.41949	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	797.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	10.6
61.02924	4.1
65.03932	5.3
67.05174	3.0
67.05510	47.3
69.03424	36.5
69.07070	14.5
71.04975	8.7
71.58388	3.6
73.02905	4.4
78.21658	2.6
79.05498	68.8
81.03419	100.0
81.06580	3.5
81.07056	59.1
83.04988	26.6
83.08627	21.4
85.02904	28.7
85.06535	5.9
86.09644	4.2
91.05482	64.5
93.07047	49.0
95.04974	35.9
95.08604	24.6
97.02897	36.1
97.06539	8.7
97.10167	6.8
99.04448	9.8
105.07041	47.3
107.04978	12.9
107.08596	23.7
109.02871	21.2
109.06512	8.3
109.10158	7.1
111.04429	10.9
111.08060	8.9
115.05441	6.8
117.07016	18.0
119.04945	3.6
119.08578	27.2
121.06505	8.7
121.10130	9.8
123.04409	3.4
123.08081	8.3
123.11717	4.9
125.09613	3.6
127.03924	20.4
128.06212	7.0
129.05463	4.2
129.06998	21.2
131.04898	4.2
131.08562	18.8
133.06499	9.9
133.10156	17.7
135.08083	4.4
135.11668	7.5
139.03931	4.2
141.06992	5.1
142.07755	3.0
143.08533	8.0
145.06456	6.1
145.10109	10.2
147.04395	5.8
147.08051	5.4
147.11693	35.6
149.09555	3.4
153.01866	4.0
153.12761	3.7
155.08514	3.1
157.06479	2.8
157.10136	10.6
159.08020	5.0
161.05945	3.2
161.09674	3.8
161.13277	9.8
163.11198	10.9
165.05493	3.0
165.12711	3.0
167.07133	2.9
167.08568	4.1
169.10243	5.1
171.08018	4.7
171.11716	17.2
173.04565	12.9
173.05847	5.1
173.09644	4.8
173.13222	2.8
175.11183	8.9
177.12759	3.7
181.12228	4.7
184.07297	9.4
189.12813	5.3
191.10649	4.2
193.10477	4.2
193.12196	22.7
207.13786	18.4
211.13309	32.6
227.12730	9.1
259.16989	3.1
267.15900	18.8
269.15292	4.7
281.17499	42.3
285.17007	13.0
287.16434	7.8
289.14294	2.6
333.16983	3.7
337.16431	3.2
389.19290	2.9
407.20374	3.9
411.20062	4.2
425.21777	4.9
429.21152	6.9
445.29260	3.8
447.52652	3.2
473.28925	40.9
491.29971	21.5
553.31506	4.6
599.32452	4.2
617.32965	7.5
622.42987	3.0
635.34271	26.5
722.84064	2.7
749.89349	3.1
797.42999	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
56.05276	0.1
57.03426	0.3
58.06614	0.4
60.08164	6.6
60.08472	0.3
60.42583	0.1
60.48734	0.1
61.02935	0.2
61.46809	0.1
64.41476	0.1
67.05513	1.0
69.03419	0.2
69.07056	0.5
70.06611	0.2
71.07377	3.3
71.56483	0.2
79.05494	0.6
81.03403	0.7
81.07056	0.8
82.07370	0.1
83.04989	0.2
83.08606	0.3
85.02913	0.2
85.06506	0.1
86.09705	29.6
87.10025	0.3
89.46154	0.1
91.05492	0.7
93.07052	0.7
95.05006	0.2
95.08621	0.3
97.02882	0.2
97.06532	0.2
98.72662	0.1
98.98466	3.6
102.14887	0.1
104.10738	2.7
105.07030	0.3
107.08597	0.3
109.10149	0.3
117.07005	0.2
119.08572	0.3
120.08998	0.2
121.10144	0.2
125.00005	20.9
125.09697	0.2
129.06973	0.2
131.08565	0.2
133.10121	0.3
135.11736	0.2
143.01047	0.2
149.13289	0.2
184.07339	100.0
185.07729	1.0
229.14244	0.1
267.16077	0.2
268.50745	0.1
346.64212	0.1
401.38190	0.2
461.29062	0.3
543.37103	0.2
570.28809	0.2
644.35461	2.1
726.43457	0.7
744.44446	5.4
745.44226	0.3
748.35956	0.3
794.43378	2.3
795.41931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05842	0.8
57.03429	3.9
60.08163	1.2
61.02927	5.1
67.05508	11.6
68.05832	0.7
69.03423	4.9
69.07063	3.1
71.01360	1.4
71.05002	2.5
71.24763	0.7
71.25096	1.1
73.02918	3.8
78.81111	0.5
79.05502	9.3
80.05842	1.4
81.03426	6.6
81.07059	7.9
83.05006	2.8
83.08635	2.3
84.05305	0.7
85.02903	6.8
85.56644	0.6
86.09706	4.8
87.10027	0.9
91.03960	2.5
91.05484	7.0
93.07048	9.3
93.07546	0.9
94.07409	1.6
95.04983	3.6
95.08607	3.1
97.02902	5.3
97.06524	5.2
97.10190	1.7
98.21216	1.2
98.98511	1.0
99.04494	1.4
99.08103	0.6
101.02415	1.8
105.07050	3.8
107.05005	1.4
107.08613	6.0
107.25788	0.7
108.08932	1.4
109.02870	1.2
109.06483	1.2
109.10188	2.0
111.08099	0.9
115.05506	0.9
117.07076	1.3
119.08612	2.2
121.10175	2.3
123.08045	0.7
125.00014	3.5
127.03952	1.9
129.06982	1.0
129.15700	0.7
131.08603	1.7
133.10107	3.1
135.11696	7.2
136.12047	2.0
137.05850	0.9
142.07716	0.7
145.10208	2.4
147.08105	0.7
147.11743	1.9
149.09636	1.4
153.01848	1.2
157.06525	0.7
157.10236	1.0
163.11200	1.4
164.11652	0.7
173.04398	0.7
175.11284	0.7
181.12250	0.9
184.07349	15.9
185.07751	2.0
193.12323	0.9
207.13910	0.8
216.61230	0.8
241.91867	0.8
243.08537	2.6
244.38170	0.7
255.15883	6.8
256.16208	4.0
267.16003	0.8
269.10587	0.7
285.17059	0.8
349.19901	5.6
418.70255	0.8
435.27505	8.6
436.27774	14.9
467.19183	1.2
469.20444	6.5
477.90439	0.7
542.34485	0.7
567.27594	4.0
795.41345	100.0
796.41644	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05262	1.1
55.05512	16.7
57.03440	10.1
57.03704	1.3
57.07069	3.3
61.02913	2.8
65.03975	1.8
67.05508	61.7
69.03423	1.2
69.07071	14.9
69.35501	7.5
71.04987	2.2
71.08632	1.3
79.05495	40.9
81.03428	1.2
81.07060	59.4
83.04973	2.2
83.08628	7.8
85.02898	2.5
85.06526	1.5
91.05486	25.0
93.07051	42.8
95.04976	5.2
95.08610	46.7
97.02899	1.6
97.06517	2.3
97.10162	3.4
98.20958	3.3
99.08099	1.4
105.04568	1.1
105.07040	19.2
107.08599	25.6
109.09452	1.3
109.10159	18.2
111.08076	1.6
113.09711	0.9
113.82224	0.9
117.07014	7.1
119.08588	15.1
119.41106	0.7
121.10151	20.8
123.08088	1.0
123.11705	9.4
125.09585	1.4
129.06990	2.5
131.08585	10.5
133.10136	12.0
135.11697	15.3
137.13249	2.3
139.11159	0.8
143.08502	1.7
145.10109	8.8
147.11688	9.2
149.13272	9.6
153.12648	1.0
157.10187	1.9
159.11700	8.4
161.13272	8.0
163.14812	4.6
167.53395	0.7
171.11667	2.3
173.13248	8.2
175.14824	3.7
177.16354	1.0
183.94559	0.8
185.13283	2.3
186.46400	0.8
187.14870	4.6
199.14867	1.5
201.16362	0.9
215.17947	1.8
222.85086	0.9
223.20555	1.0
231.21011	0.9
233.68301	0.7
241.19559	2.9
243.21143	5.4
251.56696	0.9
259.20581	6.7
261.22168	18.0
263.23734	1.8
317.24631	3.1
333.24329	5.7
335.25809	100.0
336.26154	2.6
337.27328	9.5
375.87320	0.9
521.43439	1.2
543.40460	1.0
595.38177	1.5
595.47076	11.2
613.48285	9.0
792.52698	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	791.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05518	2.3
56.43802	0.3
56.98566	0.3
57.03420	0.7
57.06863	0.2
57.07075	2.5
67.05504	3.9
69.03416	2.2
69.07068	2.7
71.04979	0.8
71.31745	0.6
73.06547	1.2
79.01854	3.6
79.05498	2.0
81.02972	0.5
81.03419	7.2
81.07060	3.4
81.75222	0.3
83.01340	4.2
83.04994	1.8
83.08616	1.6
85.02905	2.8
85.06547	1.2
86.09724	0.3
91.05465	1.7
93.07059	1.9
95.04970	0.8
95.08605	2.2
97.02897	4.0
97.06538	0.8
97.10165	1.2
99.04454	0.5
105.07036	1.2
106.43397	0.3
107.01309	1.1
107.04951	1.0
107.08590	1.9
109.02870	3.6
109.06532	0.5
109.10155	1.4
119.08569	0.8
121.10133	1.2
123.08096	0.3
123.11710	0.8
125.02351	2.9
125.09592	0.4
127.03925	3.9
128.35474	0.3
129.01860	1.8
133.10127	0.8
135.04413	4.6
135.07974	0.3
135.11716	0.8
137.05977	0.8
137.13315	0.3
143.03383	5.9
143.04485	0.4
145.10130	0.5
147.11623	0.3
149.09662	0.4
149.13290	0.9
151.07484	0.4
153.01826	80.1
153.02817	3.8
153.05281	2.6
154.02194	0.9
159.11748	0.4
163.03903	0.8
167.07088	0.4
171.02893	3.7
175.11206	0.6
181.04947	11.6
182.66959	0.3
183.06569	0.7
184.07332	1.7
189.09285	0.3
193.12239	0.7
195.06531	10.3
199.06017	20.3
207.06474	0.7
209.08072	4.4
221.08096	0.9
222.07669	0.5
223.09645	5.7
223.11650	0.5
235.09656	1.2
237.11203	5.1
247.26514	0.3
249.11208	3.1
251.12790	2.7
263.12726	1.6
265.14261	1.9
277.14474	0.4
279.15979	1.1
291.15933	1.3
293.17496	1.3
297.06079	3.8
305.17487	0.6
307.19009	1.1
315.07068	2.6
319.19022	1.2
333.20554	0.5
350.60620	0.3
361.23785	1.2
372.10901	0.3
375.25223	5.8
377.26968	0.8
389.26883	0.9
403.24802	1.9
459.31046	6.2
477.32104	100.0
478.32419	5.6
576.36456	0.6
656.63092	0.4
791.38434	6.7
792.38806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.9
55.05513	28.8
57.03439	19.6
57.07066	1.8
59.04997	2.2
62.96651	1.8
65.03936	3.8
67.05505	77.6
69.03440	8.8
69.07069	28.2
69.30286	17.2
71.04980	7.7
73.02939	1.9
76.15865	1.9
79.05493	62.3
79.93740	1.9
81.02400	1.8
81.03420	72.2
81.07056	100.0
81.21798	1.9
83.01239	1.8
83.04980	19.7
83.08619	34.1
85.02419	2.5
85.02906	30.1
85.06535	6.2
86.09714	3.5
87.04417	1.9
91.05479	58.5
93.07046	60.1
95.04969	32.6
95.08611	33.4
97.02899	6.4
97.06519	12.5
97.10153	9.1
99.08087	2.4
103.05500	2.0
105.07033	47.8
107.04963	12.3
107.08591	34.9
109.02943	2.0
109.06514	13.2
109.10158	17.4
111.04431	3.0
111.08093	15.1
117.07034	14.1
119.08582	34.0
121.06516	5.1
121.10149	23.0
123.08056	6.6
123.11712	8.9
125.09636	5.9
128.06303	1.9
129.07024	11.6
131.08575	24.3
133.06474	4.9
133.10130	29.7
135.08052	6.8
135.11720	11.6
137.05910	2.9
137.09612	5.2
142.07791	3.1
143.08534	5.2
145.10115	13.6
147.08031	7.0
147.11679	24.7
149.09610	16.6
149.13271	11.0
151.11147	3.1
153.01868	2.7
155.08641	1.9
157.10143	22.2
159.11685	15.7
161.13295	3.5
163.11197	8.1
165.12730	5.7
167.07062	1.8
173.13248	3.5
175.11211	16.4
177.12852	3.5
181.05013	3.1
181.10043	1.9
183.11705	2.6
184.07353	6.5
193.12244	41.8
195.13763	4.0
197.13281	2.5
201.12682	3.5
211.13309	48.2
227.12773	6.3
239.17976	2.8
247.20500	2.6
257.18982	8.7
267.15897	26.4
269.17459	31.7
271.95090	2.0
273.30441	2.0
275.20065	36.2
276.20422	2.6
285.16937	59.2
293.21072	8.8
308.90582	1.8
349.23676	25.1
367.24731	13.6
439.26810	5.1
443.27942	4.0
460.31464	3.2
461.28979	30.9
479.30029	95.0
480.30319	3.2
541.35150	22.6
559.36279	47.0
560.36969	3.7
569.31311	2.4
577.37433	22.8
623.34460	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	790.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05033	1.1
57.00057	0.2
57.07050	0.3
58.06363	0.2
58.06622	0.4
59.10773	0.2
60.08165	7.4
67.05494	0.6
69.07071	0.3
70.16812	0.4
70.17196	0.4
71.07374	4.4
71.08623	0.2
79.05496	0.6
81.07056	0.5
83.08628	0.2
84.78445	0.2
84.89171	0.2
86.09707	34.3
87.10041	0.6
91.05492	0.3
93.07053	0.4
95.04959	0.2
95.08632	0.4
97.10145	0.3
98.21017	0.5
98.98466	4.2
104.10751	2.6
105.07065	0.2
107.08605	0.3
109.10132	0.2
121.10112	0.2
125.00006	23.6
131.90295	0.2
143.01048	0.4
167.03416	0.3
168.34338	0.2
184.07343	100.0
185.07719	1.6
186.07797	0.4
224.07179	0.2
245.49669	0.2
261.46103	0.2
290.69415	0.2
386.33307	0.2
772.41760	0.3
772.54810	4.5
773.53357	0.3
790.55908	3.4
791.55634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.62356	0.7
64.82110	0.7
65.03935	5.5
67.05514	1.9
69.03413	2.6
71.57355	1.4
77.27029	0.9
78.04694	1.6
79.05498	6.5
81.03410	2.0
81.07063	1.2
82.04169	1.5
85.02895	3.0
90.42655	0.9
91.05479	18.1
92.06260	2.5
93.03386	2.3
95.04978	4.4
97.02908	1.1
97.06539	2.1
103.05469	4.6
105.07014	2.8
106.04162	0.9
107.04272	1.4
107.04959	18.0
110.03673	2.2
111.04440	2.5
115.05449	7.5
117.07022	7.5
119.04957	7.8
119.08574	1.1
120.05708	2.5
121.06523	2.2
123.04446	6.2
124.05189	1.3
125.05984	4.0
127.03857	1.5
129.06970	2.1
131.04929	5.3
131.08517	1.2
132.05688	1.2
133.06497	4.4
135.04405	3.4
137.05992	10.6
138.03119	1.2
142.02611	3.4
143.04942	1.3
145.06480	13.2
147.04396	7.6
147.08041	3.5
148.05222	7.3
149.05940	1.5
151.03889	3.5
151.07527	2.1
152.04695	1.4
153.01785	1.8
153.05421	3.0
154.06151	1.0
155.06064	4.4
157.06409	0.8
158.07260	0.9
159.04413	1.4
160.05247	1.5
161.05997	6.3
163.03870	2.1
163.07567	2.2
165.05486	16.2
166.84146	0.8
167.07045	73.3
168.07373	1.3
171.06522	4.3
172.05031	1.0
173.05983	17.1
175.07509	3.8
177.05443	2.1
179.06993	1.5
181.04965	100.0
182.05345	2.3
185.06029	1.4
187.07515	1.1
189.05537	2.0
190.06238	1.3
191.07076	4.8
192.07455	0.9
193.08531	1.9
201.05432	2.0
203.07043	3.6
205.04980	2.0
205.08585	8.9
208.07391	1.4
209.08032	1.6
210.29767	0.9
217.08611	0.9
219.06487	1.7
220.07272	6.4
221.08018	3.2
233.08028	4.2
234.08855	2.0
235.07661	1.2
235.09711	7.6
243.11220	0.9
255.11206	1.3
279.10266	1.0
283.10931	0.8
285.12253	3.3
291.10144	1.7
297.11530	1.0
307.09698	1.1
317.10168	1.4
325.10532	0.8
335.77878	0.8
339.12344	1.3
340.13089	1.0
349.10803	1.0
355.11630	4.4
357.13242	1.9
368.12640	1.4
369.13516	1.1
373.12500	1.0
385.12848	22.3
386.12817	1.1
387.14297	3.4
397.12607	1.2
398.13660	9.0
401.12381	1.8
409.76236	0.9
415.13855	7.9
416.14679	87.9
417.15305	11.9
430.12527	4.1
583.21576	1.8
612.21558	2.9
613.12909	1.7
613.22797	31.4
614.22809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.8
57.07063	0.1
58.06322	0.2
58.06627	0.4
59.07386	0.2
60.08165	5.2
67.05489	0.2
69.76299	0.3
70.06586	0.2
71.07375	3.5
71.08624	0.1
79.05529	0.1
81.07060	0.1
84.25870	0.1
86.09707	27.7
87.10042	0.2
91.05495	0.1
93.07014	0.1
95.08585	0.1
98.20763	0.1
98.21320	0.2
98.98463	3.3
104.10746	2.8
107.02691	0.1
125.00008	19.2
125.48596	0.1
143.01070	0.2
166.02678	0.2
184.07343	100.0
185.07741	0.8
388.57895	0.1
496.34320	0.3
676.45758	0.1
690.46948	1.6
691.47644	0.1
754.54498	0.2
771.02185	0.1
772.54889	0.7
790.41174	0.2
790.55927	3.4
791.55872	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	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.5
55.05513	29.6
57.03434	19.2
57.07064	3.7
59.04993	3.9
61.02920	3.5
65.03941	3.2
67.05508	100.0
68.05832	1.1
69.03421	3.8
69.06725	1.2
69.07072	21.7
71.01340	1.8
71.05000	6.4
71.58034	1.2
73.02911	2.0
73.69564	0.8
74.89134	0.8
77.62766	0.8
79.05495	39.2
81.03426	10.9
81.07059	76.5
83.04996	7.9
83.08617	18.6
85.02901	8.8
85.06550	5.3
86.09693	1.0
87.04456	2.2
89.11098	0.9
91.03941	1.1
91.05486	23.8
93.07049	49.5
95.04967	7.9
95.08056	1.0
95.08607	22.0
97.02895	3.9
97.06541	13.6
97.10168	9.6
98.21038	1.1
99.08081	2.9
103.03994	1.0
105.04540	1.0
105.07043	10.5
107.04964	4.7
107.08599	32.4
109.06507	3.0
109.10162	43.0
110.10490	1.0
110.71011	0.8
111.04475	1.7
111.08080	7.4
113.06007	0.9
117.07004	9.7
119.08584	7.3
121.06498	2.1
121.09296	1.5
121.10140	17.4
123.08071	2.3
123.11703	1.5
125.09617	9.0
129.05479	2.3
129.06970	2.0
131.08559	9.0
133.10164	7.8
135.08057	2.5
135.11694	9.4
137.09607	1.6
139.03857	1.1
139.11159	1.4
143.10655	1.0
145.10115	4.0
147.11678	2.4
149.09679	1.2
149.13263	27.9
153.12703	1.9
155.10666	2.7
157.10110	1.2
159.11722	10.8
163.11163	5.9
165.12622	1.3
173.11763	12.8
175.11197	1.4
177.12778	7.1
177.61542	0.8
181.12233	2.2
184.07315	1.3
191.10664	3.2
193.12242	2.2
195.13803	13.7
199.13322	6.2
209.11746	5.0
211.13243	1.1
213.14899	1.4
227.12781	6.2
229.14357	31.4
265.14227	1.3
267.15912	3.6
269.17490	75.6
270.17798	1.2
283.15390	3.9
285.10007	1.2
297.17160	1.6
301.16528	7.7
306.63684	0.9
341.12186	1.0
386.62286	1.0
393.26492	1.5
399.23834	8.9
411.27261	3.8
423.27444	52.4
424.27701	2.4
459.27219	1.1
461.29056	3.2
477.28540	3.1
495.29611	10.5
513.30481	2.4
593.36835	26.7
594.36707	2.0
608.23236	1.0
618.73248	0.9
635.91125	0.9
775.69318	1.0
790.37927	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	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.1
55.05264	2.2
55.05510	38.3
57.03185	3.6
57.03440	39.9
57.07069	2.2
59.05000	4.8
61.02900	6.2
65.03923	6.2
67.05505	98.5
69.03427	22.7
69.07069	60.0
69.07448	3.7
69.45362	13.1
69.45774	5.0
71.04994	24.1
73.02910	6.8
78.09949	2.4
79.05495	85.3
81.03419	75.8
81.03897	2.5
81.07058	100.0
83.04983	27.7
83.08143	2.6
83.08621	35.2
85.02903	33.1
85.06528	9.0
86.09702	3.6
91.03967	2.4
91.05482	84.1
93.07047	84.4
95.04966	35.7
95.08058	2.6
95.08610	41.3
97.02909	14.5
97.06531	78.1
97.10178	10.5
98.20937	7.1
99.04451	5.1
99.08093	8.8
103.05480	3.3
103.08195	2.2
105.07030	63.4
107.04955	22.2
107.08594	45.6
109.02858	6.2
109.06525	27.1
109.10168	19.6
111.04429	7.2
111.08095	18.5
113.05988	6.9
115.05428	5.0
115.07586	24.5
117.07018	24.0
119.07792	3.1
119.08578	47.3
121.06511	11.7
121.10149	28.4
123.04441	2.8
123.08084	10.7
123.11672	6.9
125.09599	7.6
127.03905	7.4
127.07515	5.7
128.06161	4.0
129.05524	2.4
129.07022	21.0
131.04953	2.7
131.08566	38.6
133.06467	6.3
133.10132	34.0
135.08075	15.8
135.11671	17.2
136.06137	2.9
137.09592	5.8
142.07756	4.8
143.08553	9.1
145.06499	4.3
145.10123	26.0
147.08026	9.4
147.11682	23.5
149.09586	16.3
149.13234	9.9
151.07549	2.9
151.11172	5.0
155.08505	3.3
157.06512	2.3
157.08890	3.1
157.10129	23.0
159.08052	4.4
159.11664	14.0
161.05933	2.3
161.09579	5.9
161.13268	4.0
163.03835	2.2
163.11188	15.4
166.66365	2.1
167.07040	2.5
169.10085	2.8
171.11732	5.3
173.04427	7.4
173.09630	5.6
173.13254	3.9
175.11162	20.1
177.12715	4.5
181.12216	3.3
183.11600	2.8
184.07341	9.7
185.09470	3.2
185.13164	2.2
187.11201	2.7
189.11177	3.1
189.12743	3.8
193.12256	47.1
195.13779	2.7
199.14891	5.1
205.12094	3.1
211.13289	54.5
217.15845	11.8
219.13791	2.7
227.12784	9.2
229.14352	3.3
233.15373	3.6
245.18996	5.8
253.14345	2.7
255.17583	4.4
257.19028	4.9
267.15927	23.3
269.17505	26.4
273.18491	29.3
275.20016	11.5
283.15366	31.7
285.14001	3.5
285.16965	48.0
291.19537	16.4
293.21039	4.7
307.19241	2.7
347.22095	8.4
349.23737	6.7
365.23221	10.1
367.24771	2.8
383.24545	3.0
437.25204	5.6
459.27359	2.4
461.29138	11.0
465.28903	4.7
477.28470	31.6
479.30023	22.3
505.31589	3.8
517.31409	3.7
539.33508	4.9
557.34607	28.1
575.35767	22.7
593.36652	8.9
621.32147	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	790.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.7
55.05511	33.1
57.03434	15.1
57.07060	3.0
59.04995	4.3
61.02925	4.4
65.03937	6.2
65.77212	1.7
66.15675	1.7
66.62932	1.9
67.05505	85.1
69.03421	8.4
69.07069	22.0
71.01359	3.3
71.04988	11.5
71.56588	2.8
71.56957	2.3
74.33749	1.9
74.52911	2.1
76.97345	2.1
77.03909	3.0
79.05493	64.1
80.05827	3.3
81.03420	52.2
81.07059	74.0
82.07442	3.4
83.04971	13.9
83.08624	21.9
85.02887	8.0
85.06524	6.1
86.09704	3.7
91.05482	72.3
92.05810	3.9
93.07042	69.1
94.07369	3.1
95.04974	24.5
95.08607	41.5
97.02886	6.3
97.06535	15.2
97.10182	12.2
99.08113	5.0
105.07036	61.8
106.07338	3.1
107.04948	12.5
107.08599	38.9
109.06517	8.2
109.10172	19.8
111.04428	3.5
111.08074	7.7
114.72166	2.1
115.05458	4.7
117.07018	23.6
119.08589	43.6
121.06500	6.5
121.10152	29.5
123.08066	7.2
123.11702	7.2
124.99990	2.0
125.09643	12.8
128.06256	4.2
129.05453	3.5
129.07002	17.7
130.07816	2.1
130.23279	2.0
131.08569	32.5
133.06520	3.0
133.10135	34.4
135.08093	6.0
135.11693	16.1
137.09601	4.5
139.11084	3.1
141.07019	3.1
142.07771	3.1
143.08583	16.9
145.06386	3.8
145.10141	25.4
147.08017	5.8
147.11668	20.4
149.09613	6.5
149.13316	9.3
151.11203	5.6
153.12787	3.1
155.08585	6.6
157.10132	19.5
159.11697	21.9
161.09599	3.1
161.13261	9.3
163.11119	10.3
169.10135	9.4
169.12274	2.9
171.10335	3.1
171.11644	11.6
173.09618	3.3
173.11873	2.0
173.13252	8.5
175.11192	7.1
175.14818	3.7
181.10089	3.5
183.11705	7.2
184.07336	11.7
185.09622	2.4
185.13264	7.4
187.14790	4.8
191.10545	2.6
193.12250	8.8
195.11688	4.6
197.13284	4.2
199.14966	2.6
209.11674	4.7
209.13434	3.6
213.16418	3.0
227.12677	10.7
229.14348	5.8
241.19565	8.1
243.15919	2.6
259.20602	16.3
267.15952	17.4
269.17358	9.3
273.18375	2.7
275.20041	7.7
283.15488	7.3
283.20544	2.8
284.15671	5.8
291.19604	4.6
299.23663	5.5
301.16464	4.6
331.22443	3.5
333.24301	13.8
333.32794	2.3
349.23560	6.0
415.29764	3.0
421.25781	6.9
423.27341	3.4
433.30966	9.1
435.27335	4.9
447.27603	3.0
449.28925	3.1
451.31943	12.0
459.27325	4.0
463.30328	2.6
469.33203	6.5
477.28360	6.0
479.29129	2.1
495.29202	5.8
507.34552	4.7
517.35132	7.2
525.28479	3.5
525.35779	48.0
526.35461	2.7
543.36761	100.0
544.37140	7.3
557.38708	10.7
559.36139	3.1
567.36945	2.5
575.39709	12.7
633.37787	2.8
698.68884	2.2
791.41718	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	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.8
55.05265	2.6
55.05513	34.3
57.03436	25.3
57.07069	4.4
59.04976	1.8
61.02924	6.5
62.43069	1.6
65.03934	5.2
67.05501	79.2
69.03430	13.9
69.07069	25.8
70.91361	1.4
71.01343	5.2
71.02800	2.7
71.04987	10.0
73.02908	3.1
77.03913	2.5
77.89304	1.3
79.05492	71.6
81.03414	60.2
81.07056	100.0
82.04154	2.1
83.04983	28.9
83.08612	27.2
85.02899	16.9
85.06532	6.3
86.09668	3.7
91.05478	68.3
93.07042	70.2
95.04965	35.0
95.08602	35.7
97.02897	11.5
97.06539	18.0
97.10173	12.2
98.07320	3.8
98.21138	1.5
99.04470	2.8
99.08086	6.4
103.05465	2.9
105.07031	48.6
107.04956	14.9
107.08587	31.6
109.02875	3.3
109.06523	11.3
109.10154	18.8
111.04446	3.9
111.08080	14.1
113.06021	2.0
115.05458	2.2
116.04723	7.1
117.07020	15.9
119.08582	25.2
120.50397	1.9
121.06502	6.9
121.10134	19.1
123.08070	12.8
123.11689	4.6
124.99985	3.6
125.06030	1.9
125.09624	14.6
127.03902	4.0
127.07595	2.1
129.05481	18.0
129.06969	14.3
130.07722	2.2
131.08571	23.7
133.06503	3.6
133.10138	35.9
135.08025	4.7
135.11684	21.6
137.09622	7.0
137.87750	1.6
142.07726	4.5
143.07039	3.8
143.08543	4.6
145.10132	16.0
147.04390	1.5
147.08058	4.7
147.11703	16.6
147.13657	1.7
149.09627	14.7
149.13277	10.0
151.11165	5.8
153.09085	1.9
155.08578	1.6
155.10591	1.8
157.08626	7.0
157.10123	14.8
159.11681	9.0
161.09636	3.3
161.13220	2.4
163.11179	12.4
165.12814	3.4
169.10149	2.6
171.10229	2.8
171.11697	3.9
173.04430	2.6
173.11867	1.8
173.13228	2.5
175.11151	15.3
177.12762	5.1
181.12221	5.9
183.11737	2.8
184.07315	10.3
185.13272	2.5
187.13257	1.8
189.11177	4.0
191.10571	2.0
193.12248	38.8
195.13832	5.5
199.13304	5.6
209.11740	6.2
211.13284	30.8
227.12779	10.0
229.14354	2.1
239.17955	2.1
243.16025	3.5
253.14291	9.0
255.15900	21.3
257.18988	2.9
267.15915	26.5
269.17487	23.1
273.18463	4.2
275.20068	14.7
283.15347	6.7
285.16992	22.4
291.19589	5.0
301.16403	33.7
347.22015	1.7
349.23663	10.0
365.23129	2.5
367.24643	2.0
411.26965	2.2
423.27411	5.6
447.27411	5.4
453.28467	2.7
461.29031	3.0
463.26746	2.8
465.28815	7.2
477.28442	5.7
478.29126	3.2
479.30060	3.8
481.28299	7.8
495.29559	26.8
557.34528	4.6
559.36426	2.0
575.35449	8.1
593.37115	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	17.3
55.05262	2.4
55.05518	41.2
57.03443	22.4
57.07071	2.4
59.05001	3.5
61.02928	5.9
65.03939	7.7
67.05511	100.0
69.03445	14.2
69.06718	3.5
69.07075	56.8
69.07456	3.1
69.52383	3.6
69.52785	7.9
71.01350	5.4
71.04995	12.7
71.39296	1.7
73.02945	4.0
79.05502	80.8
81.03426	69.3
81.03912	3.1
81.07062	89.4
82.91544	1.6
83.04990	28.1
83.08624	30.7
85.02912	33.4
85.06550	6.4
91.05489	94.9
93.07053	69.4
94.07372	1.7
95.04975	45.4
95.05557	3.5
95.08617	48.2
97.02894	9.6
97.06543	24.2
97.10168	15.3
98.21057	5.7
99.04461	3.7
99.08089	2.8
105.04577	2.9
105.07040	65.3
107.04968	25.2
107.08602	32.3
109.06515	10.8
109.10166	32.0
111.04455	2.9
111.08083	19.3
113.06009	3.5
113.43605	1.6
115.05473	3.0
116.04742	3.1
117.07021	15.9
119.08590	51.9
121.06517	6.5
121.10152	21.1
123.08074	9.0
123.11738	4.6
123.38969	1.9
125.05988	2.4
125.09618	10.4
127.03952	3.8
129.05521	7.1
129.07011	17.1
130.07768	3.0
131.08578	30.4
133.06485	5.3
133.10133	38.4
135.08038	2.4
135.11707	14.5
137.09615	11.7
141.09134	1.9
142.07774	4.6
143.07001	2.4
143.08582	6.0
145.10124	14.7
147.08081	7.1
147.11707	25.8
149.09644	26.2
149.13283	3.5
151.11198	4.6
155.08572	3.5
155.10637	2.8
157.08736	4.5
157.10155	17.4
157.24712	1.9
159.11736	9.5
161.09637	3.3
161.13286	4.8
163.11209	13.4
165.12735	4.5
169.10181	3.5
171.10236	2.7
171.11720	5.1
173.11755	5.5
173.13327	6.0
175.11195	21.6
177.12704	3.4
179.14400	2.1
184.07405	2.6
185.13309	2.9
187.11255	2.1
187.13275	1.9
189.11218	5.5
193.12270	55.0
199.13327	3.4
209.11655	3.1
211.13300	56.7
212.13589	2.2
223.13219	2.4
227.12799	6.0
229.14381	7.0
229.19501	2.8
239.18005	3.0
243.15923	3.6
247.20575	2.1
253.14362	4.6
255.15991	6.3
257.19064	5.7
267.15924	25.4
269.17474	8.5
273.18567	4.3
275.20093	28.5
283.15384	2.7
285.14008	3.2
285.16989	45.3
291.19644	4.6
293.21136	3.4
301.16534	11.0
349.23752	32.5
381.22772	4.1
421.25677	4.3
439.26941	12.1
453.28320	2.3
463.30368	5.9
465.28354	3.0
479.30051	1.9
495.29434	7.2
519.76703	1.8
541.35339	8.8
557.34619	4.3
559.36340	27.0
575.35736	6.1
577.37634	2.9
593.37067	2.2
821.77979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	18.0
55.05267	2.5
55.05514	40.7
55.52888	2.0
56.24480	1.8
57.03181	2.5
57.03437	30.5
57.07063	6.8
59.04999	3.2
61.02915	7.3
61.42831	1.8
65.03930	5.4
67.05508	97.4
67.05872	4.6
68.05850	2.7
69.03432	15.2
69.06728	2.3
69.07070	36.5
69.62821	1.9
71.01355	4.1
71.05000	19.1
71.08634	8.7
71.56720	1.8
73.02923	9.2
79.05499	84.7
80.06244	1.6
80.97079	1.8
81.02984	2.5
81.03425	32.4
81.07062	100.0
82.04183	7.0
83.01324	2.3
83.04988	25.8
83.08192	2.4
83.08619	25.0
85.02905	15.2
85.06535	7.7
86.09695	5.7
91.05485	85.7
92.05818	3.2
93.07048	73.7
95.04971	33.1
95.08615	39.9
97.02887	11.2
97.06525	23.6
97.09731	1.7
97.10186	19.9
98.07313	2.7
98.17841	2.0
99.04475	2.9
99.08089	9.3
103.05460	2.6
105.04536	2.3
105.07039	61.7
106.07336	3.3
107.04945	13.9
107.08597	42.5
108.08907	2.5
109.02907	3.1
109.06531	10.4
109.10147	27.5
110.10471	2.3
111.08096	11.2
115.05420	3.2
116.04713	10.2
117.07030	23.0
118.07754	2.3
119.08592	48.5
121.06499	6.8
121.10155	25.4
123.08102	12.5
123.11683	7.6
125.00009	3.4
125.09623	19.8
127.03915	3.5
129.05496	30.4
129.06970	12.7
131.08574	32.2
133.06479	2.7
133.10146	48.3
134.10446	4.1
135.08089	9.8
135.11703	20.3
137.09630	5.9
139.11198	2.2
141.06996	3.1
142.07753	3.0
143.07031	7.5
143.08557	8.5
145.06522	1.9
145.10106	23.3
147.08018	3.7
147.11694	32.5
149.09645	10.7
149.13234	14.3
151.11166	10.1
153.09123	2.4
155.08557	4.6
157.08582	10.3
157.10130	8.8
159.08015	2.9
159.11690	17.3
161.09627	2.2
161.13220	14.2
163.11194	14.6
165.12717	3.2
169.10187	3.1
171.10159	5.8
171.11708	9.1
173.09598	3.5
173.11743	5.3
173.13268	8.7
175.11191	7.0
175.14899	3.0
177.12773	3.4
179.14297	4.0
183.11876	2.8
183.13747	2.0
184.07391	14.4
185.13246	4.2
187.14861	3.8
189.11275	8.7
189.12819	2.4
191.10684	2.4
193.12209	7.8
195.13800	5.2
199.13312	4.6
199.14890	4.7
202.61690	1.8
207.13834	3.2
209.11765	6.0
210.61626	2.0
211.13263	4.1
227.12791	12.8
229.14307	4.5
239.18080	2.3
241.19540	8.0
247.20586	2.6
253.14218	4.2
254.14786	2.9
255.15781	2.7
257.18961	5.2
259.20584	21.2
260.64117	1.9
267.15952	14.0
268.16312	3.1
269.17395	14.7
275.20090	19.6
277.21716	2.1
283.15326	11.9
293.20984	13.6
301.16492	52.3
301.19952	5.4
302.16995	2.2
333.24249	12.6
347.21768	2.2
349.23740	10.6
351.25317	5.1
367.24597	4.8
374.39957	1.9
381.22580	4.3
423.27243	3.2
437.28903	6.0
449.28656	4.9
461.28979	7.2
462.29398	2.2
463.30670	4.8
477.28125	2.8
495.29041	6.3
495.33591	5.3
517.28210	1.9
517.35162	8.1
521.34088	2.0
525.35388	4.4
541.35406	3.1
542.35333	5.8
543.36249	11.3
559.36224	8.6
575.39471	2.6
577.37231	4.9
593.36639	4.5
762.36310	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	788.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
57.07055	0.1
58.06353	0.2
58.06630	0.4
59.07142	0.1
59.07405	0.2
60.08165	6.3
63.31578	0.1
67.05504	0.2
67.59944	0.1
68.62657	0.1
69.02394	0.1
69.63313	0.7
71.07376	3.7
79.05473	0.2
81.07034	0.1
86.09708	31.1
86.58329	0.1
87.10055	0.2
91.05465	0.2
93.07030	0.2
95.08621	0.2
98.20975	0.3
98.98466	3.7
104.10749	2.7
125.00007	20.8
143.01030	0.3
153.05333	0.1
161.91971	0.1
163.77997	0.1
166.02759	0.1
180.93277	0.1
184.07346	100.0
185.07687	0.8
196.04001	0.1
454.11353	0.1
482.07956	0.1
496.33722	0.1
510.08359	0.1
676.45483	0.1
690.47076	1.3
752.51624	0.2
770.53235	0.7
788.41718	0.1
788.54468	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	14.7
55.05258	1.8
55.05517	23.0
57.03440	13.0
57.07080	2.1
59.04985	1.4
60.08182	1.2
61.02928	1.4
63.91891	0.9
65.03934	3.9
67.05508	58.3
69.03433	7.0
69.07072	21.4
69.99010	4.0
71.05005	5.9
73.02920	2.2
78.30073	0.9
79.05499	48.5
79.39667	0.9
80.05853	1.5
81.03423	44.5
81.07061	62.0
82.07385	1.1
83.04988	13.0
83.08624	13.5
85.02914	4.3
85.06560	4.8
86.09730	2.5
88.12634	0.9
91.03966	1.5
91.05484	63.7
92.05804	1.6
93.06460	2.2
93.07048	38.1
95.01335	5.8
95.04977	23.6
95.08610	24.3
95.09228	1.2
97.02899	4.3
97.06530	16.0
97.10181	8.2
98.07327	1.7
98.21053	2.2
99.04434	2.7
99.08065	1.3
101.06044	1.1
103.05449	2.3
105.04543	1.9
105.07039	62.7
107.04967	14.6
107.08598	28.7
107.09285	1.9
109.06501	7.2
109.10165	36.9
109.10928	2.0
111.04436	2.2
111.08101	8.0
113.06031	1.0
115.05499	3.4
116.04725	3.0
117.07012	11.0
119.08588	29.5
121.06514	7.2
121.10137	10.0
123.04439	2.0
123.08076	7.0
123.11691	5.9
125.00010	2.2
125.09634	5.9
127.07507	1.0
128.06198	2.2
129.05516	6.3
129.07007	8.5
131.08575	18.1
133.06506	4.3
133.10136	58.3
135.08055	7.0
135.11696	9.6
137.06029	1.2
137.09622	3.5
139.07541	1.7
141.06981	1.9
142.07822	2.3
143.07054	1.5
143.08589	4.2
145.06456	1.9
145.10138	15.6
147.08018	4.4
147.11693	12.3
149.09622	9.8
149.13255	3.0
151.11200	23.5
152.11533	0.9
153.61490	0.9
155.08569	1.4
157.08638	3.4
157.10146	7.2
158.05786	1.4
159.08092	1.8
159.11702	7.3
161.09604	6.2
161.13272	4.0
163.11130	5.6
165.09079	1.3
165.12814	1.5
169.10176	1.7
169.12268	3.3
171.10210	0.9
171.11670	3.1
173.09673	1.7
173.11815	1.4
173.13297	3.2
175.11215	6.4
177.09180	1.1
177.12743	2.8
179.10759	1.1
179.14308	6.2
183.11766	2.5
184.07336	9.0
185.13289	1.6
186.39326	1.1
189.12720	1.8
191.10686	1.4
193.12233	7.7
197.13243	1.6
199.13264	2.3
203.14365	1.4
209.11710	2.4
211.13278	2.2
215.12738	1.6
215.17880	1.0
227.12743	5.2
227.17969	1.3
229.14270	1.2
239.18036	1.1
245.19049	1.9
253.14369	56.1
257.19147	2.5
261.35010	1.0
263.20023	1.3
267.15918	33.0
268.16144	1.0
271.15417	3.0
273.18524	15.8
275.20081	26.1
279.15878	1.0
283.15405	3.1
291.19516	15.1
301.16470	18.1
309.20654	1.8
347.22241	3.1
349.23752	18.2
365.23203	14.9
395.24625	1.1
497.27344	3.8
519.32922	1.5
529.38708	1.9
541.35272	100.0
542.35419	6.1
559.36060	1.7
573.34430	3.0
591.35339	18.4
592.34882	1.3
608.44293	1.1
611.46423	2.1
626.45099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01619	1.1
55.01872	11.0
55.05511	24.8
57.03441	14.3
57.07082	1.2
59.05005	8.4
61.02924	2.1
62.86390	0.8
64.80367	0.8
65.03931	2.2
67.05505	40.9
68.94977	0.8
69.03439	6.0
69.07070	10.9
70.29536	2.2
71.01331	1.2
71.04993	8.4
71.15596	0.8
73.02924	1.4
79.05498	37.0
81.03422	50.7
81.07059	35.0
82.07391	1.0
83.01342	6.5
83.04985	22.0
83.08623	26.1
84.02121	1.1
85.02423	1.3
85.02910	21.9
85.06547	2.3
86.09717	0.9
87.04465	4.8
91.05482	33.2
92.05816	1.0
93.07048	33.5
95.04974	24.5
95.08613	12.8
97.02874	6.0
97.06531	7.4
97.10162	11.4
98.20933	1.3
99.04449	5.0
99.08103	1.5
103.03911	1.0
103.05487	1.0
105.07030	25.4
107.04968	12.6
107.08597	18.9
109.06528	8.1
109.10155	14.0
111.04456	8.8
111.08090	11.6
113.06012	2.6
115.05479	2.4
117.07027	10.8
119.04946	1.2
119.08588	25.7
121.06507	4.6
121.10159	11.8
123.04410	1.4
123.08080	8.5
123.11742	1.4
125.05968	1.4
125.09635	9.5
127.03919	1.2
129.07016	10.3
130.07774	1.7
131.04930	1.1
131.08577	13.4
133.06471	3.3
133.10133	9.9
135.08078	5.8
135.11702	9.7
137.06001	0.9
137.09648	4.1
139.07465	1.0
142.07817	1.4
143.08589	1.8
145.06471	2.5
145.10130	14.8
147.08052	5.9
147.11691	12.1
149.09639	6.1
151.11224	1.4
153.09109	1.1
153.12767	3.9
155.08479	1.6
157.10127	13.7
159.08040	6.5
159.11661	1.7
161.09654	1.4
163.07573	1.0
163.11192	21.9
165.09102	1.2
165.12764	2.4
167.07031	1.4
173.05881	1.0
173.09665	5.2
173.11691	3.4
175.11189	11.0
181.12209	5.8
184.07368	1.2
189.11194	3.2
191.10654	3.8
193.12248	31.9
199.13297	1.8
205.12343	0.9
207.10023	0.9
209.11722	7.6
211.13304	42.2
227.12778	13.6
229.14374	6.8
241.14589	0.8
261.18561	0.9
267.15933	21.0
271.16962	3.9
283.15402	27.1
285.16965	44.6
286.17169	1.5
289.14819	0.6
289.17929	16.8
291.19666	0.9
307.19028	7.6
315.18045	1.4
345.20554	1.7
363.21576	6.3
381.18146	1.6
381.22720	21.3
382.23294	1.0
383.23569	1.1
401.23511	1.1
437.25336	1.1
457.25699	3.4
475.27020	21.2
476.27173	1.7
493.27963	100.0
494.28210	3.8
537.32214	1.2
555.32996	5.8
573.26166	1.4
573.34229	15.3
591.35309	24.5
592.35199	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	16.2
55.05513	40.6
55.94554	2.3
57.03440	24.7
59.05028	2.5
61.02934	5.2
65.03934	5.9
67.05165	4.6
67.05508	67.4
69.03439	15.0
69.06715	3.8
69.07072	40.0
69.92739	9.5
69.93144	5.5
71.04993	18.2
73.02928	4.7
79.05496	100.0
81.03422	51.9
81.07059	63.6
83.01348	7.4
83.04987	22.0
83.08621	27.0
85.02901	19.4
85.06561	6.1
91.03962	3.2
91.05484	99.7
93.07050	63.5
95.01370	2.4
95.02869	2.7
95.04977	39.0
95.08604	29.0
96.83350	2.3
97.02904	9.7
97.06544	65.3
97.10161	19.7
98.20841	5.8
99.04429	3.6
99.08068	3.4
103.05454	4.7
104.06252	3.0
105.07036	55.8
107.04958	21.6
107.08602	57.5
109.02888	8.6
109.06523	20.1
109.10158	24.8
111.04453	5.3
111.08080	14.9
113.06016	2.6
115.05464	5.3
115.07577	14.4
117.07027	34.0
119.08588	60.8
119.09444	3.8
121.06541	10.3
121.10170	15.9
123.04420	3.4
123.08086	13.3
125.09675	16.5
127.03892	3.2
128.06239	4.4
129.05498	5.1
129.07019	16.6
131.08572	30.5
133.06537	7.5
133.10138	39.8
135.08058	35.2
135.11671	12.8
137.09618	4.8
138.67877	2.8
142.07748	3.1
143.08557	13.3
145.06482	7.0
145.10117	31.4
147.08031	14.3
147.11754	15.7
149.09633	10.7
149.13301	7.3
150.58482	2.7
151.11195	8.5
155.08614	4.0
157.10107	18.9
159.08090	8.6
159.11697	11.8
161.09654	8.1
163.07498	3.2
163.11177	15.7
165.09166	3.7
167.08469	2.9
171.11548	3.5
173.04466	5.1
173.09654	5.5
173.13239	4.2
175.11185	13.1
177.09070	3.4
183.11699	4.2
184.07433	4.3
185.09593	2.7
185.13295	3.6
187.11238	4.4
188.52773	2.7
189.11230	17.2
193.12228	34.4
195.13834	3.1
199.11223	3.8
199.14862	3.6
201.12830	2.9
205.61179	2.7
209.11652	4.7
211.13272	24.3
213.12851	2.8
215.14546	2.4
217.16090	3.2
227.12738	27.7
233.15343	5.9
245.13899	5.2
253.14354	8.2
255.17621	4.5
261.18542	5.7
267.15952	10.8
269.17554	11.3
271.16977	8.0
273.18509	27.2
275.20084	8.6
283.15378	41.3
285.17041	24.5
289.17984	20.4
291.19626	10.4
299.15005	12.0
301.16495	5.0
307.19034	9.3
347.22275	7.7
349.23837	7.7
363.21640	6.3
365.23111	7.4
381.22662	10.5
437.25540	3.2
477.28619	19.7
493.27905	6.1
515.30194	4.0
517.80463	2.9
555.33081	11.6
559.37115	2.9
573.34186	31.8
591.35663	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	788.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	19.0
55.05258	2.7
55.05509	31.1
57.03434	21.6
57.07063	4.3
61.02915	3.5
65.03949	4.6
67.05503	70.8
69.03434	8.8
69.07071	23.3
69.53675	4.9
69.54104	7.7
71.04993	6.3
71.08669	1.9
71.09045	2.0
73.02920	4.9
79.05491	57.5
79.05954	3.3
81.03416	57.1
81.07055	67.7
82.04214	2.6
83.04988	19.5
83.08615	17.7
85.02912	5.7
85.06535	4.9
86.09676	3.1
91.05481	74.8
93.07043	46.0
95.01310	2.7
95.04967	29.5
95.08604	30.8
97.02900	6.8
97.06528	17.3
97.10164	9.9
98.07331	3.6
98.20883	3.8
98.21527	3.2
99.04443	3.3
105.07030	66.1
106.04331	1.7
107.04939	17.6
107.08596	39.0
109.06525	11.1
109.10153	48.2
111.04416	3.0
111.08076	10.5
115.05501	3.0
116.04694	4.9
117.06990	11.3
119.08582	28.0
121.06492	7.0
121.10137	14.0
123.04465	2.2
123.08075	7.8
123.11713	6.4
125.09622	10.8
127.11205	1.7
128.06203	2.0
129.05482	14.2
129.06955	8.8
131.08566	18.8
133.06464	7.0
133.10126	69.6
135.08044	7.6
135.11705	7.6
137.09619	4.6
143.07008	2.8
143.08611	5.1
145.06502	3.9
145.10117	12.5
147.08066	6.0
147.11662	15.5
149.09573	9.5
149.13335	2.0
151.11163	26.0
157.08636	5.3
157.10130	7.5
159.08047	2.7
159.11703	7.9
161.09586	5.7
161.13260	3.9
162.59291	1.7
163.11171	10.5
165.09113	2.3
165.12737	3.5
169.10077	2.6
169.12276	4.3
171.10233	3.4
171.11707	4.8
173.13214	2.9
175.11177	8.8
177.09154	1.8
177.12674	3.6
179.14291	3.9
181.12276	2.1
184.07339	8.4
187.11171	2.0
189.11212	3.4
189.12770	2.1
193.12236	11.7
199.13258	4.9
200.14029	2.3
205.12183	2.1
209.11809	6.9
211.13257	6.2
227.12816	7.2
245.19141	2.3
249.14890	2.3
251.12766	2.1
253.14346	60.8
254.14752	2.6
257.18878	2.1
266.22714	2.4
267.15909	54.2
271.15378	4.3
273.18500	17.5
275.20050	19.3
283.15375	4.5
285.16882	2.8
291.19562	16.2
293.21381	1.8
301.16440	42.4
325.16168	2.0
347.22220	5.9
349.23679	14.1
365.23154	17.2
463.26904	3.1
479.26538	2.4
497.27484	19.8
541.35236	100.0
542.35858	5.2
559.36072	2.7
573.33923	2.9
591.35217	23.3
592.35541	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	786.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05032	1.0
57.07078	0.5
58.06615	0.6
59.07430	0.2
60.08165	6.7
66.95543	0.2
67.05505	1.0
69.39365	1.2
69.39790	0.5
71.07372	4.6
71.08618	0.3
74.79055	0.2
77.87931	0.2
79.05487	0.5
81.07062	0.8
86.09709	34.8
91.05482	0.6
93.07054	0.4
95.08639	0.5
98.21105	1.0
98.98474	4.0
98.99116	0.3
104.10750	3.5
105.07066	0.3
109.10155	0.6
117.33840	0.2
125.00010	23.3
131.08528	0.2
135.11687	0.2
143.01102	0.2
144.60770	0.2
167.06981	0.2
184.07346	100.0
185.07692	0.6
197.02483	0.2
202.32213	0.2
467.37598	0.7
525.41162	0.4
642.91992	0.2
768.51495	0.5
786.52765	6.9
787.52777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	30.3
55.05263	3.9
55.05511	52.0
57.03187	2.0
57.03439	27.5
57.07069	2.9
59.04994	4.4
61.02911	9.9
61.77129	1.6
65.03934	5.9
67.05505	100.0
69.01205	1.6
69.03436	14.0
69.07067	66.2
69.56197	12.0
71.01340	4.5
71.04982	9.9
73.02897	5.6
74.43001	1.7
74.93724	1.6
77.04605	1.7
79.05492	73.8
81.03418	28.3
81.07057	89.2
83.01353	11.0
83.04984	24.4
83.08619	28.6
85.02907	13.5
85.06541	5.5
86.09733	2.3
91.05484	69.5
91.06073	3.3
93.06462	3.8
93.07046	79.0
95.04963	24.7
95.08607	51.0
96.52707	1.8
97.02872	15.7
97.06521	19.3
97.10167	16.3
98.20910	5.6
99.04470	6.0
99.08089	2.1
101.61922	1.7
103.05437	2.3
103.66465	2.3
105.07027	53.4
107.04955	26.8
107.08587	46.7
109.02866	2.6
109.06517	16.4
109.09464	1.9
109.10165	32.2
111.04442	4.5
111.08076	10.3
113.05972	3.3
115.05466	2.6
116.04739	4.0
117.07015	25.0
119.08583	38.8
121.06502	12.0
121.10151	24.1
123.08052	17.7
123.11703	5.2
125.05968	2.2
125.09628	12.8
127.03903	4.2
128.06184	3.1
129.05484	12.8
129.06966	7.6
131.08575	22.9
133.06458	3.1
133.10126	28.6
135.08044	9.9
135.11690	24.9
137.09596	17.1
143.07187	2.0
143.08549	9.1
145.10124	38.3
147.08037	10.0
147.11716	14.0
149.09610	19.9
149.13257	4.0
151.11148	4.3
153.12738	5.2
155.08585	2.4
155.10655	1.9
157.08626	2.7
157.10138	4.2
159.08081	2.3
159.11649	10.6
161.09557	3.1
161.13245	6.7
163.11182	39.6
165.09180	3.2
169.10287	2.2
171.10272	3.0
171.11647	4.4
173.09676	5.8
173.11774	5.5
173.13161	4.2
175.11177	3.6
177.12733	3.8
179.14304	5.3
181.12262	5.9
183.11662	3.1
184.07314	3.1
187.11128	1.8
189.11192	5.3
191.10664	4.0
193.12282	3.2
195.13670	1.9
209.11714	12.6
211.13202	3.5
223.13210	10.1
227.12787	14.9
229.14365	6.5
229.19435	3.4
239.17957	3.0
247.20599	4.4
253.14291	4.0
255.15672	2.9
257.18976	7.7
262.56549	2.2
263.20273	1.9
267.15991	4.1
273.18527	11.6
274.18951	2.1
275.20050	25.1
283.15399	79.0
284.15741	2.3
285.17044	3.4
291.19550	40.0
293.21094	3.6
301.16464	20.8
349.23770	38.2
365.23129	15.6
379.21146	11.6
437.25275	22.8
451.26587	5.0
461.29117	12.1
463.26657	3.5
477.28253	3.0
497.27820	2.3
557.34741	43.0
558.35199	3.8
573.33801	3.8
575.35693	6.2
591.35352	20.7
610.39594	2.1
651.27667	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	785.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.3
55.05513	22.3
57.03446	15.6
57.07065	2.7
61.02920	5.1
67.05511	48.0
67.63531	2.1
69.03432	35.3
69.07071	15.2
71.04998	11.6
71.21184	1.9
71.57582	2.7
73.02919	3.4
79.05498	42.5
81.03423	100.0
81.07059	65.7
83.04984	21.8
83.08630	20.7
85.02908	25.2
85.06541	3.3
91.05488	38.9
93.06474	2.9
93.07051	41.9
95.04960	20.5
95.08618	19.6
97.02903	30.8
97.06532	8.6
97.10179	6.4
99.04469	12.0
99.08125	2.2
100.78625	1.9
101.02362	2.3
103.03963	2.3
105.07042	30.9
107.04980	8.9
107.08606	25.9
109.02892	23.4
109.06529	5.9
109.10175	7.4
111.04433	9.3
111.08085	9.1
115.05485	3.1
117.07007	12.8
119.04964	2.4
119.08591	21.9
121.06490	6.7
121.10139	13.8
121.11447	1.9
123.04448	3.4
123.08055	3.4
123.11680	5.6
125.09665	4.6
127.03940	21.7
129.05489	5.8
129.07013	12.7
131.04939	2.7
131.08583	17.5
133.06462	5.1
133.10136	15.1
135.04424	2.3
135.08076	4.9
135.11726	6.9
137.05974	3.5
141.06964	4.7
143.08548	3.0
145.06555	3.2
145.10103	7.9
147.08035	4.9
147.11691	18.5
149.09665	6.7
149.13249	14.5
151.03886	2.2
153.12640	2.7
155.08600	2.9
157.10132	10.7
159.08066	3.3
159.11714	7.1
163.11197	6.9
165.12730	3.6
167.07057	5.5
167.08524	3.7
169.10175	2.1
171.11650	2.6
173.04448	8.5
175.11218	9.1
177.05504	3.3
177.12723	5.7
181.12192	5.4
183.06496	2.4
185.13414	2.1
189.11237	2.4
191.10664	3.3
193.12273	22.4
195.13803	6.8
211.13266	30.7
227.12755	6.3
229.14301	3.7
229.98032	2.1
249.14935	3.1
253.07141	3.4
253.18243	4.0
267.15945	16.7
269.17542	30.7
271.18091	2.7
273.14996	4.4
277.14474	2.3
283.15411	4.3
285.17087	11.4
339.18005	2.6
393.18939	2.8
395.20499	5.4
411.20148	5.0
413.21460	2.6
429.21130	4.1
433.29538	4.7
443.27835	5.3
461.29041	31.2
462.29742	2.6
479.30215	25.9
503.30267	3.5
569.31213	3.5
587.31854	5.2
605.33026	8.4
623.34161	33.7
767.37842	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	785.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
56.17879	0.2
57.03433	0.2
69.03071	0.2
69.03430	3.7
69.47910	0.3
69.48318	1.1
71.01347	0.2
71.04989	0.4
80.78650	0.2
81.02989	0.2
81.03426	2.7
85.02893	0.8
91.05482	0.7
97.02884	0.8
98.21185	0.7
99.04436	0.9
101.03909	0.2
103.05468	1.2
109.02887	1.6
113.02319	0.2
119.04937	0.7
125.02362	0.2
127.03922	2.4
129.03392	0.4
131.04921	0.8
139.03979	0.3
145.02914	0.3
145.04962	0.5
147.04419	1.3
151.03938	0.3
153.01801	1.0
157.02896	1.3
159.04405	0.3
163.03922	0.6
173.02414	0.9
175.03918	2.2
179.03395	0.4
185.02341	1.8
187.03923	5.4
189.01862	0.2
191.03352	1.0
201.01852	1.6
202.02657	0.3
203.03409	4.2
211.04079	0.2
213.01846	3.9
215.01454	0.3
215.03398	4.2
216.03908	0.2
219.02942	0.6
229.01332	1.8
230.02084	0.3
230.41208	0.2
231.02885	22.7
232.03267	0.4
241.01309	3.6
247.02402	2.3
257.00818	1.7
259.02390	35.7
260.02798	0.9
263.05527	0.4
274.17911	0.2
275.01865	2.8
276.02649	1.3
277.03439	100.0
278.03738	2.6
285.00333	0.9
287.02161	0.2
289.03387	0.5
299.01703	0.2
301.03342	0.2
302.00681	0.2
303.01349	29.2
304.01639	0.7
315.01395	0.3
315.04782	0.3
319.04544	0.8
321.02377	2.8
328.99255	0.4
339.05032	0.3
345.02408	0.4
350.25006	0.2
355.04642	0.3
357.06271	0.3
363.03607	0.9
367.04572	0.7
381.02200	0.2
383.03915	0.2
385.05704	0.4
387.03235	0.5
393.02493	0.2
401.05069	0.3
411.03415	0.7
429.04291	0.9
447.05411	0.9
450.50772	0.2
465.06628	1.1
483.07657	0.4
623.09973	0.3
773.87769	0.2
784.70782	0.2
785.08527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03395	0.7
69.81468	0.7
69.81879	0.3
81.03419	1.1
85.02857	0.6
91.05446	0.5
97.02862	0.5
99.04444	0.2
103.05479	1.2
103.84687	0.2
109.02905	1.1
119.04901	0.6
127.03906	1.3
129.03354	0.4
131.04892	0.7
132.96538	0.2
139.03876	0.3
145.04884	0.2
147.04402	1.3
153.01816	1.4
157.02859	1.2
159.04408	0.4
163.03839	0.3
173.02335	0.5
175.03891	2.1
177.01944	0.3
177.05516	0.2
185.02306	1.5
187.03912	5.5
189.01804	0.3
191.03391	0.5
195.02838	0.4
201.01836	1.0
203.01682	0.3
203.03407	3.6
213.01825	3.9
213.05406	0.2
215.01436	0.3
215.03401	4.4
217.01357	0.2
219.02867	0.3
227.03323	0.2
229.01419	1.0
230.02075	0.6
231.02890	21.5
232.03203	0.4
233.04468	0.2
237.05632	0.2
241.01312	3.8
247.02356	1.1
255.06891	0.2
257.00790	1.0
259.02390	34.8
260.02756	0.8
275.01822	2.0
276.02563	1.1
277.03436	100.0
278.03754	1.8
285.00366	1.1
289.03317	0.4
297.03763	0.3
299.01758	0.2
301.03345	0.3
302.00516	0.4
303.01355	15.2
304.01718	0.4
309.03912	0.2
311.05536	0.2
313.03415	0.4
315.01315	0.5
321.02487	1.9
327.04919	0.2
328.99173	0.6
329.02798	0.3
337.03323	0.2
339.05151	0.4
341.03027	0.5
343.04694	0.2
345.02524	0.8
355.04541	0.5
357.06067	0.5
365.03247	0.2
367.04486	0.6
368.17975	0.2
371.03348	0.2
383.03885	0.7
385.05566	0.9
401.05136	0.3
411.03494	1.1
429.04657	0.9
439.03119	0.3
447.05511	1.1
453.01260	0.3
465.06689	0.6
505.03894	0.2
507.05963	0.2
535.04840	0.2
785.08459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05028	0.4
56.93177	0.2
57.07072	0.2
57.08316	0.2
67.05497	0.8
68.05022	0.3
68.38349	0.2
69.03445	0.2
69.07056	0.9
70.06589	0.2
71.08620	0.9
71.58045	0.3
75.86676	0.2
79.05493	0.8
81.03399	0.4
81.07062	1.1
84.08121	0.3
85.02901	0.2
86.09707	100.0
87.10030	0.6
91.05466	1.0
93.07028	0.9
95.04987	0.4
95.08599	0.6
98.09683	1.3
103.05473	1.1
105.07018	1.7
107.08571	0.3
109.10133	0.5
110.09626	0.4
112.11248	6.3
117.07030	0.6
118.06490	0.2
119.08595	0.3
120.08108	42.0
121.08440	0.5
121.10180	0.2
123.11725	0.3
129.06969	0.3
132.08072	0.5
133.10165	0.4
135.11777	0.3
146.09653	2.3
151.11282	0.3
154.15907	18.4
157.13371	10.7
158.13664	0.2
167.11745	0.3
185.12859	14.0
186.13153	0.3
188.14337	7.4
191.11777	0.4
199.18060	15.5
209.16544	0.4
219.11411	1.3
223.13333	0.5
225.19633	6.5
227.17542	13.5
228.17957	0.3
233.16484	16.2
234.16870	0.3
235.18073	0.5
237.16116	0.3
243.14984	0.5
253.14844	0.4
253.19099	7.7
259.18100	2.1
261.16000	14.4
262.16495	0.3
267.24304	7.3
271.14548	0.4
277.22766	0.5
280.20322	0.5
281.18454	0.2
287.17569	2.7
295.23837	4.4
298.21255	8.3
299.21655	0.3
301.22766	7.0
302.23230	0.3
311.21252	0.5
322.25104	0.6
329.22226	4.5
332.19656	5.2
332.23367	0.3
340.25928	2.8
356.23376	0.7
366.27432	2.5
374.24393	4.5
376.26566	0.3
383.30106	1.6
400.25992	3.4
402.23682	0.4
408.32187	0.5
411.29697	4.6
411.34937	0.4
417.28516	1.4
421.28229	0.3
425.34818	0.6
442.30832	1.9
445.28064	4.8
445.33768	0.4
453.34509	0.7
455.26715	0.4
459.33212	1.3
473.28043	0.2
479.36084	2.3
485.35040	0.2
487.32739	2.7
488.74176	0.2
489.34485	0.3
493.28198	0.3
496.38379	1.3
497.31339	0.4
497.38034	0.2
513.34332	5.0
514.34460	0.4
524.38025	4.6
527.39587	0.4
530.37042	2.6
555.39172	1.9
558.36505	10.3
559.37091	0.4
572.41858	0.7
586.35968	0.6
587.35162	0.5
592.44824	1.1
598.43542	0.4
600.41028	1.8
609.46814	0.7
626.42816	6.2
637.46466	1.8
643.35455	0.5
643.45447	4.9
644.45203	0.3
653.43579	1.2
668.47260	1.0
671.44904	15.6
672.45410	0.8
699.44379	0.4
711.52234	0.4
713.49274	0.4
738.53064	0.3
739.51050	3.4
740.51721	0.3
756.53784	6.0
757.54431	0.4
766.52069	2.2
784.53345	8.0
785.53638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
55.05516	22.9
57.03442	16.6
57.07093	10.9
67.05509	27.5
69.03424	2.2
69.07070	29.6
69.60249	12.9
71.04987	2.2
71.08631	5.9
79.05496	17.2
81.03421	80.5
81.07058	34.3
83.04968	4.2
83.08627	34.7
85.02908	2.7
85.10171	3.1
85.48631	1.9
86.09708	5.0
91.05492	20.4
93.07042	13.0
95.04965	24.6
95.08049	2.6
95.08615	26.2
97.02909	2.8
97.06533	3.8
97.10158	11.7
98.21027	5.7
105.07044	14.5
107.04961	6.4
107.08601	9.1
109.06499	3.5
109.10154	14.2
111.04425	2.5
111.08089	7.2
111.11738	2.3
112.12571	2.1
119.08590	13.1
121.06484	2.9
121.10157	11.9
123.11732	4.5
125.00014	4.0
129.07021	8.1
131.08569	5.4
133.10158	5.4
135.11723	6.4
139.11186	2.1
142.07820	2.9
145.10114	2.9
147.11687	10.8
149.09570	4.2
149.13255	3.3
157.10155	7.2
175.11183	8.2
184.07343	15.2
193.12273	23.2
231.46715	1.8
246.28075	1.6
259.20398	2.0
265.25470	2.4
267.15924	100.0
268.16324	2.2
313.27509	3.2
339.28967	81.5
340.29324	3.7
457.36600	2.4
531.40466	77.6
532.40900	2.7
549.41528	10.3
573.41406	3.9
747.74695	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	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05511	2.0
57.03439	2.2
60.08155	2.6
61.02926	4.9
65.03945	0.7
67.05508	4.1
68.42437	0.4
69.03430	3.4
69.07072	1.7
71.05002	0.9
71.07379	1.2
71.57059	0.5
71.57414	0.6
73.02917	3.6
79.05508	4.2
81.03418	4.0
81.07070	4.7
83.04987	1.3
83.08623	1.0
85.02905	5.7
86.09705	12.3
87.04482	0.5
87.10049	1.8
91.03941	2.4
91.05480	4.6
93.07046	3.8
95.04977	1.8
95.08610	2.4
97.02906	4.8
97.06549	0.8
98.21246	0.5
98.98471	1.1
99.04462	1.3
101.02396	1.5
104.10742	1.0
105.07037	2.6
107.04960	0.9
107.08609	2.1
109.02904	0.8
109.10174	0.8
115.04032	0.5
117.07093	0.8
119.08591	2.4
121.10196	1.3
125.00004	8.6
125.09634	0.6
127.03892	1.1
129.07043	0.6
131.08597	1.3
133.10136	1.5
135.11691	1.2
145.10121	1.3
147.11719	1.0
148.47926	0.4
157.10054	0.6
159.11774	0.6
163.11176	0.5
175.11226	0.8
184.07339	40.4
185.07722	5.4
193.12355	1.2
213.00459	0.5
243.08397	2.8
251.12514	1.2
265.26181	0.4
333.20514	1.7
394.14703	0.6
439.19370	1.2
453.21060	1.0
468.26221	0.5
469.20471	6.2
502.73779	0.6
551.28210	5.9
637.67798	0.5
688.35449	0.6
688.48853	0.6
779.41888	100.0
780.42145	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	784.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.7
55.05261	1.9
55.05508	20.4
57.03439	20.0
57.07076	40.7
58.20670	1.1
67.05167	2.4
67.05504	31.6
68.15307	1.2
69.03433	6.6
69.07062	14.6
69.41380	1.2
71.02348	1.6
71.02707	2.6
71.04986	6.5
71.08281	2.2
71.08631	30.3
73.02899	2.2
75.01775	1.4
75.92397	1.1
79.05486	24.5
80.05023	1.1
81.03416	58.5
81.07057	42.4
83.04977	16.2
83.08134	2.0
83.08619	30.8
85.02426	1.6
85.02904	20.0
85.06549	3.0
85.10186	18.7
89.06016	1.6
91.04888	1.7
91.05477	32.0
93.07041	19.2
95.04966	27.1
95.08044	1.9
95.08609	27.5
97.02888	3.2
97.06533	1.9
97.10172	11.6
98.21063	1.3
99.04446	2.6
99.08081	1.6
99.11712	1.6
103.07616	1.5
105.07039	22.0
107.04964	6.1
107.08578	7.5
109.02859	3.9
109.06522	3.5
109.10149	12.0
110.03643	3.2
111.04427	5.1
111.08057	9.6
113.05974	2.0
115.05422	2.6
117.07011	2.6
119.07809	1.3
119.08591	16.7
121.10121	9.5
123.08086	1.9
123.11703	4.8
126.09255	1.4
127.03909	2.5
129.07014	10.2
131.08559	11.9
132.99521	1.7
133.06435	2.9
133.10132	11.4
135.11658	2.2
137.13159	1.3
142.07780	2.6
143.08557	1.3
145.10135	2.2
147.08083	2.1
147.10803	1.3
147.11714	14.6
149.09613	7.4
157.10149	14.0
165.12787	2.7
175.11194	16.8
175.49123	1.2
184.07330	1.3
191.00052	1.9
193.10579	1.5
193.12244	43.2
209.01154	1.5
211.13304	64.2
239.23709	5.3
257.24823	1.4
267.15918	33.3
277.97089	1.4
282.97821	1.3
285.16962	59.0
286.17441	2.0
290.18677	1.2
313.27365	78.8
314.27652	3.8
465.25159	1.6
493.17325	2.2
505.38840	29.3
511.18234	3.7
523.39917	100.0
524.40216	7.6
539.28937	6.7
632.65533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.4
55.05259	1.0
55.05511	14.6
55.16345	0.6
57.03442	6.4
59.05000	0.8
61.02940	0.8
65.03937	2.3
67.05505	23.4
69.03427	26.6
69.07063	6.3
69.46821	0.9
69.47222	4.7
71.01354	1.2
71.04995	7.8
73.02929	1.5
73.06619	0.7
79.05110	0.4
79.05489	22.9
81.03417	100.0
81.07056	23.0
83.04983	17.6
83.08617	14.8
85.02905	15.6
85.06547	2.2
91.03934	0.8
91.05479	26.1
93.03398	0.7
93.07045	14.8
95.04967	24.4
95.08604	8.6
97.02893	26.2
97.06528	5.7
97.10172	2.8
98.20680	0.6
98.21247	2.5
99.04472	9.4
99.08089	1.1
101.02357	1.3
103.05486	1.4
105.03381	0.7
105.07031	20.7
107.04954	7.5
107.08602	7.4
109.02879	22.4
109.06509	4.9
109.10141	3.5
111.04446	12.2
111.08081	8.7
113.06026	1.1
115.05483	1.3
116.06296	0.7
117.07008	4.4
119.04962	1.3
119.08589	16.1
121.02865	1.1
121.06490	4.3
121.10154	7.1
123.04377	3.4
123.08065	2.5
123.11717	2.7
125.05983	1.3
125.09656	3.6
127.03914	19.7
128.06216	1.1
129.05499	2.8
129.07001	8.3
131.04926	1.8
131.08566	10.0
133.06506	3.8
133.10129	8.0
135.04446	1.5
135.08072	1.7
135.11703	3.4
137.05998	2.1
137.09634	1.5
139.03947	1.1
141.07008	1.0
142.07785	1.9
143.08624	2.1
145.05013	0.8
145.06500	2.3
145.10057	4.0
147.04407	1.5
147.08072	3.2
147.11682	15.6
148.76503	0.7
149.06004	1.7
149.09608	4.4
149.13272	0.8
151.03925	0.9
153.09039	1.0
153.12779	2.8
155.07298	0.7
155.08598	1.8
157.06499	1.6
157.10127	7.8
159.08026	1.1
159.11751	1.0
161.09668	1.0
163.11128	4.7
165.05521	1.2
165.12737	5.5
167.08611	0.7
169.10127	1.3
171.11664	1.3
173.04477	10.3
173.05899	1.0
173.09631	1.5
175.03777	0.6
175.07513	1.0
175.11191	10.9
177.12759	1.5
181.05063	1.0
181.10068	0.7
181.12297	3.7
185.13332	0.9
189.11197	1.5
189.12756	1.1
191.10631	3.3
193.12241	35.3
201.12804	0.8
209.11707	1.6
211.13289	49.2
212.13577	1.3
213.14862	1.6
215.14909	0.6
217.12297	0.9
223.13315	0.9
227.12619	5.2
229.14357	4.3
235.13277	1.6
237.12831	1.2
249.14914	3.0
253.07169	2.8
253.14418	1.2
255.13808	1.5
259.13428	1.8
267.15906	11.8
271.08157	1.1
273.14923	2.5
277.14355	0.8
283.15509	2.3
285.17007	10.5
291.15967	1.5
301.14169	3.6
313.16571	0.8
319.15475	2.8
337.16354	3.6
355.17484	8.5
357.23889	0.8
367.23001	1.0
375.17770	1.5
385.23886	1.9
393.19028	2.7
411.20129	7.2
429.21127	4.1
459.27100	4.1
477.28751	4.6
495.29678	4.3
499.21814	1.4
547.28870	0.9
585.30579	2.2
603.31555	4.2
621.32782	9.3
639.33545	5.8
655.32648	0.8
729.34442	1.0
747.35687	1.4
765.37122	4.0
783.37891	21.6
784.38159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.03422	1.4
61.02927	5.4
65.03923	0.5
67.05492	4.1
69.03415	3.1
69.07052	1.1
71.01348	0.5
71.04994	0.7
71.57622	0.5
73.02913	3.3
79.05492	3.3
81.03413	2.7
81.07047	4.6
83.08612	0.7
85.02901	4.4
86.09705	2.5
87.04490	0.5
87.10041	0.5
91.03954	2.5
91.05474	3.2
93.07040	4.7
95.04974	0.6
95.08597	3.7
96.43710	0.4
97.02908	4.9
97.06533	1.1
101.02363	1.8
105.06380	0.4
105.06993	2.4
107.08607	2.6
109.02879	0.5
109.10172	1.6
116.00831	0.4
117.07033	0.7
119.08601	1.9
121.10153	2.1
123.11742	0.6
125.00020	1.4
127.03923	1.6
129.07040	0.7
131.08588	1.6
133.10167	0.9
135.11726	0.6
145.10146	1.1
147.11644	1.3
149.09610	1.0
157.10168	0.6
159.11707	0.5
167.07166	0.5
175.11214	0.6
184.07347	8.5
185.04204	0.5
185.07776	1.2
193.12308	1.3
225.14932	0.6
243.08401	2.1
267.16055	0.5
283.15146	4.9
297.50732	0.4
400.74316	0.5
501.22980	6.7
519.29309	7.4
675.44153	1.0
779.45483	100.0
780.45941	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	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.8
55.05513	6.7
57.03447	6.3
61.02922	12.8
63.40083	2.2
67.05498	13.2
68.30638	2.3
69.03435	7.5
69.07079	4.0
71.56962	2.4
73.02908	10.4
79.05502	11.1
79.22408	2.1
81.03419	5.8
81.07077	12.5
83.01097	2.5
83.08630	4.4
85.02906	17.5
85.06566	2.5
86.09712	8.1
91.03962	11.9
91.05511	7.1
93.07059	10.6
95.04956	2.6
95.08616	6.5
97.02908	10.9
97.06548	2.8
98.78596	2.6
99.04505	3.8
101.02412	4.4
105.07043	5.3
107.08601	8.9
109.02934	2.9
109.10160	3.6
125.00018	8.3
127.03940	4.1
129.05472	3.6
135.11705	7.4
137.09563	2.3
145.04984	2.8
147.11615	2.4
180.31186	2.9
184.07355	30.6
185.04262	15.0
201.03767	4.8
203.05281	2.9
221.11505	2.5
235.13147	3.4
241.06941	2.5
243.08395	12.5
301.08920	19.7
315.10620	13.1
343.13785	2.8
357.15289	4.1
369.15396	6.2
370.85757	2.4
371.16791	15.4
373.11115	9.7
377.64703	2.7
385.18530	7.6
425.21747	10.7
429.17578	3.9
439.19440	21.7
443.18857	3.8
453.20987	21.7
457.20935	2.7
469.20718	7.7
481.20673	6.5
483.22226	6.5
489.28195	5.2
495.22110	3.2
497.24115	3.7
511.21652	9.4
525.23267	5.7
535.28601	3.4
553.22394	3.3
567.31592	100.0
568.31586	5.0
579.30853	4.4
609.28729	4.0
621.32709	3.4
622.33234	13.0
635.33826	5.1
651.33423	48.4
652.33942	3.6
692.81232	3.0
693.34668	23.0
733.41199	53.4
734.41937	6.2
761.40894	7.1
777.40363	11.1
779.41760	92.9
780.42743	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	779.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05507	1.4
57.03436	2.3
60.08165	1.3
61.02929	3.9
63.39267	0.4
67.05511	4.4
69.03432	2.6
69.07067	1.5
69.25968	3.9
71.04996	0.9
71.07370	0.7
73.02923	3.3
79.05508	4.0
81.03426	4.0
81.07062	5.5
83.04983	1.3
83.08609	1.1
85.02901	4.7
86.09711	8.1
87.10026	0.5
91.03979	2.8
91.05473	4.0
93.07043	3.3
95.04988	2.0
95.08611	2.4
97.02896	4.0
97.06506	0.4
97.10161	0.4
98.20993	1.8
98.92599	0.3
98.98492	0.6
99.04466	0.4
101.02402	1.9
103.03947	0.6
104.10705	0.4
105.07048	2.5
107.04993	0.5
107.08593	1.6
109.02886	0.8
109.06528	0.6
109.10168	0.4
111.04437	0.5
111.08053	0.5
117.07011	0.8
119.08597	1.5
121.10134	1.4
123.08051	0.5
123.11710	0.5
125.00003	5.0
127.03923	1.6
129.07002	1.0
129.56726	0.4
131.08578	1.6
133.10150	1.7
135.11720	0.7
138.06377	0.3
145.10167	0.7
147.11713	1.3
157.10167	0.9
175.11179	0.7
184.07347	25.4
185.04286	0.8
185.07704	4.5
193.12265	0.9
211.13255	0.8
243.08379	2.4
251.12575	0.9
260.55405	0.4
333.20447	1.5
396.77161	0.4
439.19348	0.4
453.20981	0.9
469.20474	8.5
481.93661	0.5
551.28253	3.8
649.35339	0.5
681.34406	0.6
779.41864	100.0
780.42188	4.9
790.51257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
55.05514	37.8
57.03439	16.0
57.07061	2.9
59.04980	3.4
61.02912	4.2
61.72935	0.9
65.03921	3.1
67.05506	100.0
69.03423	4.0
69.06720	1.2
69.07070	16.9
69.72041	5.8
71.01357	1.3
71.04975	4.3
73.02901	2.5
79.05496	47.0
81.03406	6.3
81.07059	59.1
83.04995	6.3
83.08617	16.0
85.02905	15.8
85.06539	3.0
86.09724	1.6
87.04475	6.5
91.03942	1.2
91.05483	27.6
93.07048	42.9
95.04976	7.0
95.08611	38.1
95.09228	1.3
97.02895	5.2
97.06523	3.1
97.10177	17.2
98.21289	2.6
99.04497	1.4
103.03964	1.5
105.07033	16.8
107.04946	2.0
107.08595	26.4
109.06496	3.0
109.10165	46.9
109.10917	2.3
111.04432	1.5
111.08057	3.8
113.98312	1.1
117.07034	7.9
119.08581	17.7
121.06408	1.2
121.10160	17.2
123.08067	2.5
123.11736	4.5
125.09632	17.3
129.06998	2.8
131.08585	9.4
133.10135	8.6
135.08055	1.7
135.11710	12.8
137.09581	3.2
137.13268	1.3
139.11166	1.1
143.08551	1.3
143.10641	3.6
145.10123	10.8
147.08047	1.6
147.11711	6.7
149.09660	2.0
149.13248	4.8
153.12675	1.0
155.10670	3.2
157.10139	1.7
159.10248	1.2
159.11679	4.7
161.13264	2.7
163.11183	3.9
163.14830	3.3
165.12704	1.0
171.11678	1.6
173.09549	1.2
173.11728	14.5
173.13257	4.8
175.14938	2.1
181.12199	1.2
184.07388	4.8
185.13245	1.2
187.14861	1.9
189.11201	1.7
191.10558	1.0
193.12193	2.4
199.13287	9.3
201.16429	1.3
203.14340	1.3
209.11739	2.5
217.14378	1.7
227.12833	5.2
229.14362	40.0
233.22842	1.0
241.14395	1.2
243.21077	2.1
245.13840	2.0
259.20627	2.0
261.22171	12.8
267.15878	3.6
277.21619	1.5
283.15384	2.0
289.21552	1.4
301.16431	12.7
315.23181	1.6
317.24692	2.3
335.25809	65.9
336.26031	2.4
363.25284	2.3
401.85699	1.0
403.55347	1.0
451.32028	1.2
477.35773	8.6
489.35901	13.6
517.34814	1.1
543.36310	2.2
561.37982	6.3
690.35065	4.0
758.39258	1.3
776.42224	8.3
777.39709	1.6
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
55.01866	0.7
55.05511	1.8
56.72702	0.5
57.03434	2.2
60.86784	0.5
61.02938	3.9
67.05509	4.1
68.58355	0.5
69.03423	3.0
69.07070	1.2
69.28150	2.5
69.28578	2.4
70.67956	0.5
71.01372	0.7
71.05011	0.7
73.02919	3.7
75.32264	0.5
79.05512	3.8
81.03422	3.9
81.07068	4.1
81.94856	0.6
83.04987	1.2
83.08614	1.3
85.02911	6.2
86.09715	2.0
91.03968	2.4
91.05481	4.8
93.07047	2.5
95.04984	1.8
95.08629	3.1
97.02895	5.2
97.06532	0.7
101.02398	1.3
105.07047	4.3
107.04913	1.2
107.08597	1.3
109.10205	0.9
115.03866	0.6
117.07043	0.8
119.08586	2.5
121.10205	1.1
123.08089	0.6
123.11676	0.6
125.00022	1.3
127.03958	1.6
129.07031	1.0
131.08603	1.8
133.10155	2.1
135.11719	0.8
145.10101	0.7
147.11720	1.6
157.10147	1.1
175.11230	1.1
184.07326	6.0
193.12300	1.9
211.13419	1.1
243.08426	3.1
271.94907	0.6
279.22504	0.5
313.17709	1.5
331.18900	2.4
451.19250	1.0
469.20490	13.0
531.25897	1.5
531.60419	0.6
541.22595	1.1
549.26868	1.7
679.33148	2.1
759.39325	10.2
777.40295	100.0
778.40295	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	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05511	2.3
57.03437	2.1
60.08155	0.9
61.02924	4.6
65.03958	0.6
67.05503	7.3
68.05853	0.5
69.03439	3.4
69.07061	2.5
70.06567	0.5
71.01352	0.8
71.04996	1.7
71.07368	0.8
71.57115	0.8
73.02917	2.7
77.34110	0.4
79.05489	4.9
81.03410	3.9
81.07063	6.2
83.04997	1.5
83.08617	1.7
85.02903	4.7
85.06602	0.7
86.09705	5.7
87.04454	0.7
91.03960	2.2
91.05480	5.5
92.05831	1.0
93.07052	4.4
95.04984	1.7
95.08617	3.5
97.02895	4.5
97.06536	1.2
98.21118	0.6
98.98456	0.6
99.04464	1.3
101.02404	1.5
103.04022	0.5
105.07042	4.6
107.04971	0.8
107.08569	3.3
109.06553	0.9
109.10166	3.0
109.24023	0.4
110.10532	0.5
111.04424	0.5
111.08113	0.6
117.07060	1.2
118.98376	0.4
119.08571	2.4
121.10152	1.8
123.08066	0.6
124.99984	3.9
127.03941	1.0
129.07068	0.8
131.08582	1.6
133.10146	4.1
134.10481	0.6
135.11665	1.1
137.09641	0.7
145.05042	0.4
145.10158	1.3
147.08147	0.7
147.11673	0.8
149.02348	0.4
149.09645	0.5
151.11192	1.1
154.68095	0.5
157.10132	0.8
159.11765	0.5
161.13205	0.5
163.11191	1.2
175.11136	0.6
184.07352	15.3
185.04301	0.6
185.07715	0.7
243.08452	2.8
253.14532	1.7
254.14755	1.1
275.20370	0.5
276.20435	0.9
331.18921	1.3
333.20343	0.8
453.21207	0.8
467.18906	4.1
469.20343	4.5
482.32208	0.7
549.26721	1.2
551.28284	2.9
679.33362	0.5
710.44348	1.0
777.40302	100.0
778.40753	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	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05516	11.3
57.03444	7.4
57.07065	1.4
58.06599	1.0
59.05007	1.3
60.08167	5.8
61.02929	1.4
65.03930	2.9
67.05507	54.4
69.03432	3.8
69.07069	13.4
69.65865	4.9
71.01341	0.8
71.04997	18.4
71.07368	3.3
73.73289	0.6
77.92696	0.7
79.05494	25.6
81.03426	5.8
81.06579	1.8
81.07059	35.2
82.07383	1.1
83.04989	5.6
83.08621	6.2
85.02892	2.8
85.06532	3.1
86.09709	32.2
86.10239	1.6
91.03963	0.9
91.05487	25.0
93.07050	30.7
95.04974	6.0
95.08612	14.6
97.02896	2.2
97.06538	7.4
97.10168	2.2
98.98481	2.9
99.04501	1.0
99.08096	1.6
101.02394	0.9
104.10735	2.4
105.07033	12.3
106.07365	0.8
107.04979	4.0
107.08598	16.7
109.02879	1.0
109.06524	2.9
109.10159	34.3
111.04413	1.1
111.08067	3.5
115.05450	0.8
117.07024	7.0
119.08588	14.5
121.06474	2.5
121.10139	8.2
123.08061	2.2
123.11699	2.2
125.00009	22.3
125.09632	1.3
127.03926	1.5
128.88112	0.9
129.05440	1.1
129.07028	2.5
131.08582	7.2
133.06479	1.0
133.10144	8.9
135.11707	13.3
137.09633	6.1
139.11258	0.9
141.07069	0.9
145.10138	7.8
147.11731	3.9
149.09642	3.4
149.13278	3.9
151.11163	2.3
155.10681	1.1
155.38893	0.7
157.10155	2.4
159.11723	4.8
161.13254	1.4
163.11208	4.5
169.12273	1.5
173.04498	1.1
173.11722	4.2
173.13222	1.7
175.11214	0.9
177.12743	1.3
178.08801	0.7
181.12250	1.9
183.11798	1.1
184.07350	100.0
185.07777	1.2
187.11221	1.3
187.13258	0.9
193.12219	1.0
195.13841	2.8
211.13211	1.7
227.12804	1.7
229.14346	1.4
243.15877	1.7
253.14378	1.6
255.15906	5.2
257.19034	1.5
267.15930	1.8
269.17441	5.1
275.20044	8.5
287.18524	12.6
349.23730	6.4
367.24805	1.1
409.25882	4.4
423.27454	19.5
431.27792	0.9
435.27521	9.5
437.28891	5.3
449.28986	13.0
463.30417	1.8
467.30090	2.5
479.30200	1.0
481.31583	23.9
482.32260	1.5
485.32419	1.5
503.33746	13.5
511.34320	1.2
517.35034	1.3
529.35156	4.2
535.35901	1.3
543.36810	1.8
547.36133	1.5
561.37726	4.3
567.31488	1.5
579.38721	1.3
593.32837	2.1
625.35382	1.1
726.43231	6.3
776.40570	2.6
777.40442	5.8
780.09265	0.9
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
55.01865	1.4
55.05509	3.0
57.03430	1.9
61.02929	3.6
62.44478	0.4
64.71235	0.4
65.03950	0.7
66.50962	0.5
67.05513	7.8
69.03431	3.5
69.07064	2.4
71.01357	0.6
71.04983	1.3
73.02908	2.8
79.05495	8.3
80.05824	0.5
81.03418	5.3
81.07053	8.9
82.03721	0.5
83.04979	2.1
83.08631	2.3
85.02902	3.9
85.06544	0.6
86.38060	0.5
87.04452	0.6
91.03963	2.2
91.05482	7.6
92.05813	0.7
93.07047	7.5
94.07364	0.8
95.04987	3.0
95.08617	4.0
97.02888	3.7
97.06532	1.3
97.10180	0.6
98.21111	3.5
101.02395	1.4
105.07028	4.6
107.04956	1.1
107.08584	3.6
109.02883	0.5
109.06542	0.8
109.10178	1.7
111.08089	1.1
117.07028	1.3
119.08564	3.6
119.45486	0.5
120.08831	0.5
121.10188	1.7
123.08051	0.9
125.00027	0.7
125.09654	0.8
127.03943	1.1
129.07034	1.3
131.08598	1.7
133.10135	3.2
135.11731	1.2
143.08635	0.5
145.10167	1.8
147.06506	0.5
147.11685	2.8
149.09641	0.8
149.13327	0.5
151.11258	0.5
157.10141	0.7
159.11792	0.6
171.11731	1.5
184.07428	2.1
193.12268	0.8
211.13426	1.5
212.13701	0.9
243.08401	3.3
247.13185	1.4
253.14368	0.6
267.16187	0.6
275.20209	0.5
285.16995	1.6
286.17441	1.0
291.20010	0.5
322.01935	0.5
333.20477	1.9
453.21390	0.5
465.20898	8.1
551.28204	4.9
560.36523	1.0
563.88782	0.5
578.37683	1.0
775.42383	100.0
776.42792	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	775.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05516	5.2
56.05857	1.0
57.03434	4.8
61.02934	6.0
65.03957	1.3
67.05507	16.7
68.05842	1.2
69.03429	4.6
69.07069	6.1
70.07396	0.6
71.01341	0.8
71.05000	1.5
73.02914	3.4
75.13718	0.6
79.05493	12.0
80.05846	1.1
81.03414	4.8
81.07057	17.8
82.03758	1.0
82.07412	1.9
83.04967	2.9
83.08612	3.9
85.02901	6.2
85.06571	1.2
86.09707	0.7
87.04482	1.1
91.03973	3.3
91.05483	12.5
91.06006	1.0
92.05836	1.2
93.07044	13.1
94.07397	1.7
95.04971	4.2
95.08614	6.2
96.08955	1.2
97.02903	5.3
97.06547	3.8
97.10171	0.8
98.20816	2.1
98.21503	1.2
99.04456	1.2
101.02383	2.9
105.07028	7.9
106.07345	0.9
107.04977	1.9
107.08595	6.0
108.08977	0.9
109.02885	1.1
109.06532	1.8
109.10161	3.1
110.32439	0.6
111.08096	1.4
113.06000	0.6
115.03973	0.6
117.07053	2.4
119.08580	5.6
121.06534	0.8
121.10143	3.4
123.08105	2.1
123.11720	1.0
126.01311	0.6
127.03960	2.0
127.85306	0.6
129.07040	2.1
131.08574	3.7
132.48459	0.6
133.10161	4.7
134.10504	1.3
135.08098	1.1
135.11714	3.2
137.09621	1.5
143.08629	1.0
145.05011	0.6
145.10178	2.4
147.11708	3.0
149.04716	0.6
149.09668	1.6
149.13261	3.1
150.13629	0.9
151.07602	0.7
155.08681	0.7
159.11778	1.8
161.13292	1.3
163.11272	1.7
171.11720	1.8
175.11320	0.8
177.12808	1.1
184.07367	1.6
193.12212	0.8
195.13937	1.1
221.11639	0.6
229.14243	0.6
243.08589	2.6
247.13147	1.4
255.16039	1.2
269.17468	4.2
270.17957	2.4
275.20084	1.2
303.15823	1.0
331.19009	0.8
333.20395	1.1
349.23956	0.7
438.30029	0.6
453.21603	1.0
464.31235	0.6
465.21036	7.7
467.19284	1.6
543.37097	0.7
544.37311	1.8
549.26880	1.4
551.28375	5.5
677.33624	1.3
757.38562	2.4
775.42163	100.0
776.42517	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	774.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05042	0.7
57.07069	0.2
58.06632	0.5
59.07401	0.2
60.08165	5.6
67.02097	0.1
67.05502	0.5
69.07072	0.4
69.30865	1.2
71.07371	3.5
71.08639	0.2
79.05474	0.3
81.07060	0.6
81.25065	0.1
83.08636	0.2
86.09708	28.2
87.10049	0.3
91.05434	0.1
93.07034	0.3
95.08620	0.2
95.13400	0.1
98.20803	0.4
98.98466	3.4
104.10741	2.0
105.07043	0.2
107.08627	0.2
109.10138	0.2
125.00008	18.6
143.01074	0.2
184.07344	100.0
185.07690	1.0
259.70297	0.1
287.49136	0.1
293.21112	0.3
342.30994	0.2
496.33151	0.2
603.46124	0.8
624.21704	0.2
756.42682	0.2
756.55426	5.0
757.55579	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.05261	2.0
55.05511	20.3
57.03439	18.9
57.07085	2.7
59.58531	1.4
61.02909	1.9
64.01082	1.7
65.03946	3.3
67.05510	64.9
69.03432	4.8
69.07080	15.4
70.07059	5.6
70.07462	2.8
71.04983	2.9
78.92949	1.8
79.05053	2.9
79.05498	45.9
81.03424	87.6
81.07061	61.7
81.07443	1.0
83.04976	6.3
83.08629	21.8
85.02839	1.5
85.06541	2.4
90.04131	1.6
91.05485	36.4
93.07050	43.6
95.04977	28.8
95.08614	46.7
97.02917	3.9
97.06529	4.6
97.10172	7.0
98.20898	2.6
105.07031	23.8
107.04973	9.1
107.08602	23.3
109.06530	4.3
109.10160	20.9
111.04459	1.9
111.08092	5.8
115.53221	1.7
117.07026	8.5
119.08594	25.5
121.06524	6.1
121.10143	22.9
123.04404	1.9
123.08113	2.7
123.11712	6.5
125.09667	3.6
129.07004	14.8
131.08569	20.6
133.06512	4.0
133.10136	14.2
135.08075	3.2
135.11713	14.0
137.09660	2.2
137.13229	3.1
142.07788	2.6
145.10133	11.7
147.08018	3.3
147.11676	10.6
149.09654	5.0
149.13254	9.3
157.10127	13.0
159.11690	7.7
161.13313	7.1
163.11165	2.8
163.14827	5.2
163.31131	1.6
169.10085	2.0
171.11697	2.0
173.13274	6.2
175.11203	7.3
175.14799	4.6
184.07294	1.9
187.14867	3.5
189.11232	3.8
193.12247	20.7
211.13254	2.7
227.12860	7.3
243.21152	6.2
249.14767	2.8
261.22156	19.9
267.15930	100.0
268.16104	2.2
301.25323	7.7
309.16965	2.9
309.22327	1.6
317.24911	3.1
325.65619	1.9
335.25815	94.8
336.26074	1.9
359.26031	1.7
417.31519	2.3
421.26016	2.1
435.32458	4.4
453.33755	9.0
471.34616	5.1
527.37335	66.1
528.37634	3.9
545.38336	47.0
545.46692	2.4
546.39099	2.4
569.38336	4.5
635.39838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.9
55.05513	28.4
57.03441	21.2
57.07074	3.7
61.02932	3.5
65.03934	3.0
67.05508	66.2
69.03426	9.1
69.07070	26.6
69.49209	3.5
69.49627	7.2
71.01353	1.5
71.04990	10.1
71.08670	1.6
71.68317	1.4
79.05496	61.8
81.03423	71.8
81.07060	80.6
83.04978	20.1
83.08624	27.0
85.02906	24.5
85.06553	5.2
91.05485	60.4
91.06074	1.8
93.07049	61.2
95.04971	29.7
95.08611	27.1
97.02905	8.2
97.06542	15.2
97.10181	6.7
98.21092	6.1
99.04458	2.2
99.08119	3.1
105.04509	2.2
105.06445	1.5
105.07034	42.7
107.04968	11.3
107.08604	28.0
107.37064	1.8
109.02869	1.5
109.06504	8.7
109.10171	9.0
111.04482	3.8
111.08069	12.9
113.06017	2.7
115.05462	2.9
117.07015	13.8
119.07704	1.2
119.08578	33.6
121.06501	6.6
121.10155	23.1
123.08070	6.7
123.11714	5.8
125.09661	3.3
127.03893	2.4
129.05528	2.0
129.06996	13.8
131.08574	27.7
133.06497	4.6
133.10139	31.6
135.08072	4.5
135.11717	13.0
137.09634	3.4
141.07059	1.7
142.07813	3.2
143.08568	4.3
145.10147	9.5
147.08040	4.1
147.11693	24.1
149.09630	14.8
149.13260	13.3
151.11209	3.5
155.08551	2.4
157.10135	17.6
159.11693	12.1
161.13295	1.5
163.11168	7.8
165.12741	4.2
171.11778	2.3
173.04449	2.1
173.13234	3.7
175.11185	15.7
177.12802	4.1
181.12274	2.0
183.11818	1.6
184.07326	1.6
193.12245	50.0
195.11932	1.3
195.13728	7.0
211.13306	70.0
212.13741	1.5
227.12820	3.2
229.19554	2.5
239.17992	2.5
249.14815	2.4
250.59955	1.6
255.15883	14.6
257.15335	1.5
257.19012	9.1
267.15918	35.7
269.15207	1.0
269.17480	41.9
275.20102	20.4
285.16983	71.3
286.17316	1.9
293.21283	1.9
311.06400	1.5
342.48264	1.5
342.52545	1.9
349.23749	18.4
367.24725	5.6
443.27850	1.8
447.27417	10.4
461.29050	33.8
465.28540	20.5
479.30051	100.0
480.30246	3.4
541.35193	8.7
559.36310	22.0
577.36975	5.3
623.33551	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.4
55.05262	2.1
55.05513	32.6
57.03439	15.6
57.07077	3.9
59.04996	2.0
61.02921	7.6
65.03926	3.7
67.05507	96.3
69.03434	12.8
69.07070	41.0
69.55562	1.3
70.77815	2.0
70.78149	3.0
71.01339	3.3
71.05000	8.2
73.02917	2.6
73.23225	1.4
77.03943	1.6
77.49672	1.5
77.80493	1.3
79.05496	55.6
79.05962	3.2
81.02609	1.3
81.03417	25.3
81.07061	100.0
82.07364	1.6
83.04989	14.2
83.08618	20.8
85.02907	9.3
85.06549	6.2
91.03934	2.1
91.05482	56.7
93.07047	58.0
95.04978	14.9
95.08607	38.8
97.02898	11.5
97.06533	16.1
97.10175	8.9
98.20872	1.5
99.04452	3.5
99.08091	3.3
105.07033	26.5
107.04952	8.5
107.07860	2.2
107.08595	39.1
109.02901	3.6
109.06509	6.4
109.10155	25.9
109.10836	2.6
111.04461	3.0
111.08081	8.1
117.07006	14.3
119.08575	17.6
121.06516	6.1
121.10143	18.7
123.08087	9.1
123.11713	6.4
125.09647	5.9
127.03931	8.6
129.05533	7.3
129.07019	5.1
131.08582	16.6
133.06506	4.0
133.10133	25.5
135.08072	3.9
135.11696	18.2
137.09628	9.3
137.13319	1.4
143.08554	3.2
145.10136	6.2
147.08034	2.5
147.11694	7.4
149.09630	13.6
149.13264	14.7
151.11179	4.4
153.09108	1.6
157.10112	4.0
159.11684	10.3
161.13275	3.3
163.11218	3.9
165.12814	2.9
167.14336	1.5
169.10060	1.9
171.11707	2.3
173.04445	3.0
173.09608	1.9
173.11754	6.1
173.13219	3.0
175.11203	2.9
177.12741	6.5
179.14262	2.5
184.07364	1.9
185.11708	2.1
187.14713	1.8
189.11235	2.8
191.10580	1.4
193.12299	2.1
195.13802	17.0
211.13301	2.8
213.14839	2.2
227.12784	3.3
229.14291	8.8
241.17967	1.6
243.15953	4.1
253.14357	3.2
255.15953	6.5
267.15857	5.9
268.83722	1.5
269.14539	2.4
269.17465	50.5
273.18552	3.2
275.20090	8.7
277.21732	1.7
285.17001	4.0
291.19461	6.9
349.23685	10.1
365.23077	3.9
365.27060	2.6
373.18729	3.3
383.27808	1.5
420.28793	2.7
423.27536	19.4
437.29086	11.7
449.28857	6.2
461.28989	2.0
462.29797	2.1
463.30246	2.0
479.29895	2.5
543.36768	15.0
559.36194	3.7
567.31647	3.0
577.37219	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	14.8
55.05514	43.4
57.03439	15.6
59.05006	1.9
61.02924	2.8
65.03930	3.7
67.05508	51.5
68.47681	1.5
69.03431	8.3
69.07069	34.0
69.78674	1.3
71.04990	6.8
79.05497	65.4
81.03417	58.9
81.06579	2.7
81.07060	51.7
83.04983	19.1
83.08618	34.7
85.02909	24.4
85.06543	2.8
86.09698	3.7
91.03981	1.6
91.05482	56.8
93.07048	41.1
94.58919	1.4
95.04972	27.6
95.08608	25.0
95.18073	1.3
97.02902	5.7
97.06540	21.5
97.10172	40.2
98.21108	8.3
99.04441	1.7
103.05484	1.8
105.07038	52.4
107.04964	18.6
107.08598	59.6
109.02879	3.4
109.06509	6.5
109.10161	15.8
111.04465	2.5
111.08093	12.5
113.06010	1.9
115.05477	3.4
117.07046	11.3
119.04961	1.6
119.08587	35.8
121.06491	4.8
121.10143	18.4
123.08066	4.1
123.11738	3.4
124.99981	1.7
125.09631	33.5
127.03955	2.7
128.06232	1.9
129.07019	14.4
131.08562	20.2
133.06503	4.1
133.10130	28.8
135.08081	7.4
135.11710	7.1
137.09625	3.2
141.06967	1.7
142.07851	3.3
143.08600	6.2
145.10112	18.4
147.08072	4.1
147.11697	26.1
148.65344	1.6
149.09618	27.6
149.13268	1.7
151.11195	1.9
153.09152	1.8
155.08641	2.4
157.10118	16.0
159.11719	7.0
160.89014	1.4
161.09561	1.5
161.13292	5.1
163.11235	9.9
165.12770	4.3
169.10110	3.4
171.10179	3.9
171.11699	4.2
173.13235	3.9
175.11174	14.9
177.12729	3.9
179.14365	4.6
183.11702	1.7
184.07404	9.8
185.13283	2.7
187.11147	2.4
189.11223	15.8
193.12241	36.8
197.13121	1.8
211.13300	58.4
211.15265	2.8
227.12782	68.9
229.19510	2.2
239.17990	3.6
245.13885	2.3
257.19000	11.9
267.15915	19.7
275.20074	57.2
276.20361	2.0
285.16971	52.9
293.21158	4.4
299.20053	3.1
331.22754	4.5
349.23743	67.0
350.24200	2.0
350.79926	1.7
363.21869	1.5
367.24881	1.3
381.22757	2.4
389.18069	1.8
396.79459	1.4
437.25262	5.7
449.30313	2.8
455.26184	6.6
459.27338	1.6
461.28967	1.8
463.30511	4.2
467.31339	1.8
477.28333	2.2
523.34198	3.4
541.35254	36.3
559.36298	100.0
560.36517	5.3
577.37396	7.7
599.30200	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.1
55.05512	29.9
57.03445	22.2
61.02932	2.8
61.62412	2.2
62.20714	2.2
65.03937	6.2
67.05511	77.5
68.23218	2.4
69.03444	14.2
69.07073	32.8
69.66310	15.8
71.04990	9.3
71.08596	2.2
73.02933	2.9
79.05050	4.6
79.05495	72.4
81.03423	82.5
81.07059	99.2
83.04987	24.9
83.08624	40.1
84.67406	2.4
85.02913	28.5
85.06533	5.4
91.05486	81.1
93.04082	2.3
93.07050	61.3
94.04075	2.3
95.04970	43.2
95.08609	35.2
97.02879	9.2
97.06532	23.4
97.10162	8.5
98.20861	5.2
99.04469	2.4
99.08065	4.0
105.06369	4.5
105.07030	56.4
105.59389	2.6
107.04967	17.7
107.08607	35.7
109.02925	3.1
109.06522	13.7
109.10162	12.1
111.04459	2.3
111.08088	17.6
113.05984	2.5
115.05436	4.5
116.29448	2.2
117.07014	19.6
119.04953	3.7
119.08584	47.7
121.06476	7.8
121.10152	24.3
123.08071	10.9
123.11655	3.6
125.09623	6.9
127.03896	4.8
128.06226	4.9
129.07008	15.2
131.08574	36.2
133.06554	4.3
133.10138	39.3
135.08075	3.6
135.11708	12.8
137.06020	2.2
137.09569	4.9
142.07794	6.6
143.08630	2.9
145.10112	18.9
145.21324	2.5
147.08087	4.8
147.11690	30.8
149.09625	22.4
149.13303	15.8
151.11142	5.7
157.10132	23.2
159.11682	16.3
161.13243	3.3
163.11206	13.8
165.12782	5.2
167.10435	2.4
169.10074	3.7
171.11630	4.3
173.04417	4.4
173.13269	6.1
175.11230	22.8
177.12715	6.0
186.05811	2.6
193.12256	64.5
195.13872	6.5
197.13344	4.4
211.13310	91.3
211.24980	2.5
217.15652	2.7
227.12785	10.1
228.93512	2.5
229.19485	3.6
239.18034	3.5
247.20506	4.0
255.15909	14.1
257.19006	10.4
259.20605	2.3
267.15955	40.7
269.14926	2.8
269.17532	37.5
275.20090	43.6
285.14011	5.0
285.16989	91.0
286.17270	3.6
293.17679	2.7
293.21048	4.6
303.53488	2.4
349.23669	35.0
367.24658	3.2
443.27896	4.1
447.27460	13.5
455.26764	2.8
461.28903	35.3
465.28534	31.9
479.30063	100.0
480.30148	9.7
484.93356	2.5
519.33026	3.1
531.35474	2.8
541.34961	14.0
559.36304	40.9
560.36084	2.7
577.37592	5.4
623.33887	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.7
55.02103	1.6
55.05260	1.9
55.05513	27.1
56.43753	1.2
57.03437	18.5
57.07080	3.0
61.02938	6.9
61.90238	1.5
65.03928	4.5
66.91173	1.3
67.05508	87.2
69.03431	15.4
69.07071	21.7
69.92720	2.7
69.93118	3.1
71.01346	5.2
71.04998	18.7
73.02917	4.2
77.03911	2.3
79.05497	51.5
81.03423	19.5
81.07060	100.0
81.63869	1.4
82.07418	1.5
83.04983	13.6
83.08621	16.4
85.02911	9.8
85.06552	7.7
86.09689	1.9
91.03927	1.7
91.05485	59.9
93.07051	65.6
95.04980	14.3
95.08044	2.8
95.08615	38.7
95.47785	1.4
97.02879	10.2
97.06544	12.7
97.10169	5.4
98.07303	1.6
98.21236	3.5
99.04462	3.1
99.08080	3.1
105.07038	35.9
107.04960	6.3
107.08598	38.2
109.02887	3.1
109.06508	5.8
109.10162	30.3
111.04454	1.7
111.08085	7.1
113.05999	1.6
115.03918	1.6
115.05454	2.3
116.04693	1.7
117.07031	10.3
119.08598	17.0
121.06513	7.5
121.10152	12.7
123.04405	1.6
123.08066	16.7
123.11715	8.2
125.09650	4.0
127.03926	5.9
128.06123	1.6
129.05493	7.0
129.07014	6.4
131.08571	16.2
133.06479	2.2
133.10129	35.8
135.08075	5.4
135.11710	22.5
137.09630	6.1
139.07550	1.4
141.09187	1.7
143.08582	3.4
145.10120	9.7
147.08081	2.4
147.11720	10.3
149.09612	4.8
149.13286	11.2
149.57979	1.4
151.11177	11.5
157.10168	5.8
159.11742	10.4
161.09648	3.6
161.13243	2.5
163.11189	5.4
165.12750	3.8
169.12245	2.7
169.49573	1.5
171.11641	2.7
173.04475	4.6
173.11816	2.6
173.13266	3.3
175.11168	3.9
176.24702	1.4
177.12769	5.6
177.14314	1.6
179.10709	2.0
181.12204	2.6
183.11778	1.5
184.07362	6.0
185.11748	2.2
187.11165	1.8
187.13280	3.7
187.14949	1.7
193.12254	4.2
195.13815	12.5
211.13245	2.9
213.14761	2.1
219.89641	1.5
227.12834	2.1
229.14357	1.7
239.16293	2.8
241.17932	3.2
243.15919	9.8
253.14351	29.7
254.15041	2.5
255.15805	15.0
267.15918	7.6
269.17514	31.9
273.18396	7.5
275.20035	2.7
283.15378	2.1
285.17014	4.9
287.18436	6.9
291.19516	8.9
309.17068	1.7
347.22275	3.2
349.23782	1.7
365.23206	8.8
374.07040	1.5
420.28629	8.8
437.28967	17.2
439.26743	8.8
449.28986	6.8
461.28870	3.3
465.28082	2.6
479.29990	4.0
483.29538	3.1
501.32095	3.1
519.33136	13.8
533.34552	2.5
543.36536	2.7
545.34723	6.8
559.36273	2.1
577.37408	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	772.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
58.06591	0.6
60.07876	0.3
60.08168	6.4
67.05517	0.4
71.07384	3.6
71.31445	0.3
71.31779	0.4
86.09713	31.7
87.10018	0.5
98.21024	0.4
98.98476	3.9
103.08729	0.3
104.10760	2.1
122.56145	0.3
125.00016	22.9
126.00254	0.3
143.01039	0.5
184.07355	100.0
185.07680	0.5
186.57072	0.3
285.04825	0.3
346.19086	0.3
411.72409	0.3
496.33636	0.4
556.56769	0.3
630.55200	0.3
754.53845	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	773.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05506	2.1
55.08275	0.4
57.03440	2.0
61.02932	4.7
64.08166	0.4
65.03953	0.8
67.05506	6.3
69.03423	2.8
69.07055	2.3
71.01350	0.5
71.04980	0.9
71.57869	0.5
73.02920	3.9
79.05495	7.3
81.03422	3.6
81.07059	6.6
83.04993	1.9
83.08613	1.0
85.02905	4.4
85.06543	0.6
91.03951	2.6
91.05485	8.9
93.07046	5.9
95.04963	2.7
95.08604	3.9
97.02905	4.6
97.06537	0.5
99.04477	1.1
101.02384	1.6
103.03991	0.5
105.07038	6.0
107.04982	1.4
107.08588	3.4
109.02917	0.9
109.06542	1.7
109.10207	1.4
112.65888	0.4
117.07014	1.1
119.08585	3.7
121.06540	0.6
121.10190	1.3
123.08098	0.6
127.03938	1.4
129.07011	1.9
131.08585	1.1
133.06525	1.0
133.10129	3.1
135.08113	0.9
135.11693	0.5
143.08601	1.3
145.10173	1.3
147.08078	0.4
147.11679	2.6
149.09668	0.6
151.11218	0.5
159.11722	0.5
161.09631	0.8
161.13246	0.9
163.11148	0.4
171.11742	1.7
175.11203	0.6
184.07405	1.6
185.04373	0.7
193.12230	0.8
203.05293	0.5
232.31021	0.5
243.08356	3.4
247.13199	1.4
299.15042	0.5
303.16037	0.7
313.17908	1.4
331.18661	2.3
335.26138	0.5
369.19946	0.5
373.11188	0.5
419.72769	0.5
429.17142	0.4
451.19379	0.9
465.20950	12.4
473.37997	0.4
531.25592	1.9
537.23199	1.4
549.26672	3.7
675.33545	2.9
717.19379	0.4
724.41809	0.5
738.27142	0.5
755.26044	0.8
755.39764	12.7
756.39148	0.6
758.21112	0.5
773.40826	100.0
774.41083	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	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.6
55.05511	37.4
57.03439	27.4
57.07065	5.3
61.02928	4.9
62.29796	3.1
65.03919	4.9
67.05505	88.6
69.03427	11.4
69.07079	29.6
71.04981	11.4
71.44740	7.5
73.02921	5.4
79.05495	89.6
81.03418	65.0
81.07059	93.6
83.04980	25.8
83.08636	30.9
85.02902	30.5
85.06552	5.2
86.31107	3.0
91.03949	3.2
91.05482	100.0
93.07049	86.0
95.04968	39.3
95.08609	47.7
97.02895	9.1
97.06533	19.8
97.10170	12.9
99.08067	7.2
103.05444	3.9
105.04530	3.5
105.07036	80.9
106.07330	4.3
107.04959	17.4
107.08596	45.0
109.06549	15.1
109.10147	23.0
111.08105	15.8
115.05493	4.2
117.07009	27.5
119.08582	56.5
121.06474	7.7
121.10149	33.7
123.08068	8.2
123.11584	4.1
124.99989	4.1
125.09630	8.6
129.05472	9.5
129.07025	22.4
131.08571	47.3
133.06500	6.5
133.10139	49.6
135.08035	8.7
135.11707	16.5
137.09625	6.2
141.07011	3.5
142.07774	4.4
143.08575	8.0
145.10114	24.4
147.08037	5.8
147.11685	38.6
149.09636	15.5
149.13243	16.5
151.11154	4.4
155.01912	3.8
157.08771	4.0
157.10124	22.8
159.11699	21.8
161.13301	17.7
162.00906	2.9
163.11183	9.9
165.12701	7.0
169.10063	4.7
171.11674	12.0
173.13295	10.7
175.11198	18.6
175.14815	4.2
177.12743	7.4
184.07318	13.5
185.13194	7.5
189.11285	3.3
193.12248	53.6
195.13852	5.0
203.00854	3.1
210.76302	3.4
211.13272	49.8
227.12811	6.6
229.14339	4.4
231.21352	5.8
241.19531	12.2
253.14294	4.2
257.19101	7.0
259.20612	40.6
267.15817	25.2
269.17429	19.7
275.20135	22.5
283.15356	6.1
285.16971	48.8
293.21182	5.2
301.16397	16.0
333.24216	26.7
349.23615	12.1
373.69263	3.1
455.51025	4.2
461.28580	5.9
477.28217	7.8
479.29910	17.2
516.43677	3.5
525.35504	7.3
543.36798	25.5
559.36139	11.4
577.36755	6.7
775.39514	4.8
787.95105	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
55.05511	31.1
57.03444	15.1
57.07077	5.4
59.77374	4.1
61.02926	13.5
65.03927	6.3
67.05173	5.7
67.05512	99.7
69.03435	9.6
69.07059	34.7
71.05003	5.9
71.08632	4.5
71.57286	4.6
73.02927	6.3
79.05051	7.2
79.05496	95.6
81.03416	8.6
81.07061	100.0
83.04983	4.5
83.08611	20.9
83.40676	3.6
85.02914	18.5
85.06542	6.3
85.10206	4.3
91.03947	8.0
91.05488	85.6
93.07053	90.5
95.04973	13.4
95.08615	65.7
97.02898	11.8
97.06544	7.1
97.10189	7.3
105.07039	68.4
107.08598	43.8
109.06548	6.1
109.10162	32.3
117.07040	24.8
119.08598	61.2
121.10178	33.8
123.11705	10.2
128.06270	5.0
129.07045	17.3
131.08566	43.1
133.10135	41.8
135.08072	6.0
135.11736	19.7
141.06990	4.8
143.08572	17.2
145.10135	37.1
147.11684	36.2
149.09537	4.5
149.13281	17.1
155.08490	8.8
157.10146	18.3
159.11729	32.3
161.09613	5.0
161.13264	28.6
163.14883	6.1
167.07069	5.4
169.10201	8.9
171.11708	21.0
173.13266	20.2
175.11209	4.5
175.14807	12.3
183.11729	7.2
184.07362	10.5
185.13277	19.8
187.14795	8.3
199.14745	4.1
201.16501	5.7
220.78052	4.4
225.16197	4.8
241.19583	24.4
257.19098	8.1
259.20575	45.9
261.22150	9.7
301.21988	4.7
333.24344	32.4
335.25803	73.7
337.27206	5.2
339.23187	5.6
362.73932	4.0
517.01166	4.2
519.41711	7.0
547.39514	9.0
593.45233	6.9
611.46722	84.3
612.46997	6.1
695.63635	5.0
737.48944	6.2
773.51733	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.3
55.05517	30.4
57.03439	14.4
57.07071	2.3
59.04998	3.6
59.35678	1.7
59.97317	1.5
61.02913	4.3
65.03926	2.1
67.05506	62.9
69.03419	7.1
69.07072	19.7
69.30667	6.7
69.31097	6.4
71.01355	1.8
71.04994	10.5
75.10568	1.6
77.03888	1.6
79.05495	57.5
80.40810	1.5
81.03421	36.6
81.07059	73.7
83.01347	5.2
83.04977	25.6
83.08620	23.7
85.02904	15.5
85.06544	2.6
91.05482	57.7
93.07043	62.8
95.04973	23.7
95.08611	27.4
97.02901	6.5
97.06524	15.8
97.10162	6.2
99.04453	4.2
99.08124	3.5
103.05469	1.6
105.04534	1.7
105.07030	39.6
107.04966	13.6
107.08603	38.2
109.02899	1.8
109.06525	13.5
109.10157	22.0
111.04453	4.2
111.08088	8.4
113.06007	2.0
115.05489	1.7
117.07008	17.7
119.08575	25.8
121.06518	8.3
121.10141	21.1
123.04475	2.5
123.08108	9.7
123.11712	4.5
125.05960	2.8
125.09633	5.5
129.07011	7.8
130.07776	2.5
131.08574	20.1
133.06476	3.6
133.10136	39.4
135.08073	7.8
135.11678	18.3
136.22264	1.6
137.09637	5.0
141.07039	2.9
143.08563	4.5
145.10121	21.3
147.08058	6.4
147.11684	9.9
149.09616	10.1
149.13271	8.1
151.11183	11.4
153.12773	2.0
155.08530	2.3
157.10118	8.6
159.08055	3.1
159.11688	8.7
161.13240	2.2
163.11186	26.3
165.12682	2.9
169.10132	3.0
169.12311	2.9
171.11780	2.5
173.09642	4.4
173.13248	2.3
175.11165	7.6
177.09126	1.9
177.12766	2.9
181.12230	3.7
189.11230	2.3
191.10695	4.8
193.12256	14.8
195.13811	3.6
209.11742	4.6
211.13248	19.8
211.14963	1.8
227.12843	5.2
245.19081	2.0
247.20451	2.1
253.14325	20.8
255.15794	9.0
257.19086	2.0
263.20230	2.1
267.15952	7.4
267.78534	1.8
269.17502	23.8
273.18622	8.2
275.20074	16.6
283.15411	63.2
285.17044	15.3
291.19714	9.8
291.41464	1.8
347.22144	5.8
349.23706	12.5
365.23367	12.4
367.24707	3.8
463.26981	23.3
477.28491	100.0
478.28732	6.3
481.27914	5.5
517.31470	2.6
529.35449	1.8
539.33423	2.9
557.34869	22.8
575.35767	22.8
576.35590	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93190	1.4
55.01868	10.4
55.05512	28.2
57.03433	13.8
57.07055	1.5
61.02914	3.9
62.12042	1.5
65.03934	5.0
67.05505	63.5
69.03424	11.2
69.07074	16.6
71.05003	9.4
79.05057	2.9
79.05495	49.7
81.03421	57.9
81.07059	75.6
82.03746	1.7
83.04980	25.6
83.08621	24.2
85.02901	20.5
85.06534	7.0
91.05481	80.6
93.07046	45.4
95.04974	26.2
95.08608	22.3
97.02892	6.4
97.06537	8.6
97.10181	4.9
98.20695	2.9
99.04441	2.6
99.08092	2.7
105.07031	67.7
107.04963	15.3
107.08598	35.2
109.02846	1.8
109.06512	12.2
109.10159	50.4
109.10905	2.9
111.04464	3.1
111.08070	11.1
113.06017	2.6
115.05449	2.7
117.07005	7.6
119.08585	28.6
121.06499	11.0
121.10146	12.8
123.08058	6.2
123.11710	7.4
125.09624	4.4
125.44379	1.6
127.07567	3.8
128.06213	3.7
129.06984	12.2
131.08569	23.2
133.06485	7.1
133.10133	77.2
135.08054	7.0
135.11679	5.6
137.09596	2.0
142.07727	2.1
143.08572	4.2
145.06462	2.4
145.10114	6.4
147.07994	7.5
147.11697	16.7
149.09647	11.4
151.11168	32.2
155.08543	2.9
157.10152	16.1
159.08092	2.9
159.11665	2.7
161.09621	7.3
161.13269	2.2
163.11191	4.3
165.12791	2.9
169.12221	5.8
171.11592	2.0
173.09552	1.5
175.11186	18.8
177.09068	2.9
179.10617	2.2
184.07283	3.4
193.12250	40.3
211.13292	65.7
215.12758	3.2
223.13226	1.5
245.19031	3.6
249.14755	2.2
251.12788	3.3
253.14354	100.0
254.14813	1.7
255.17415	3.0
263.19974	3.1
267.15976	19.3
271.15344	2.5
273.18488	28.4
283.15417	1.8
285.16962	58.9
291.19534	33.5
291.22409	1.0
309.20441	1.7
347.22205	8.1
365.19009	2.3
365.23282	29.6
372.89044	1.8
445.26175	2.1
463.26987	24.1
481.27954	28.1
483.31165	2.2
539.33344	5.9
557.34772	23.5
575.35718	48.5
768.57227	1.7
770.11981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.7
55.05507	38.4
57.03440	20.1
57.07064	1.8
59.04744	1.9
59.05003	25.9
65.03925	4.5
67.05507	80.1
69.03418	5.5
69.07065	12.9
69.39691	15.6
71.01353	2.8
71.04998	16.6
74.18049	1.6
79.05057	2.9
79.05496	48.0
81.03418	100.0
81.07059	50.2
82.03706	2.3
83.04989	12.7
83.08624	30.3
85.02895	8.1
85.06531	5.0
85.62713	2.1
87.04465	25.9
91.05482	45.4
93.07047	37.2
95.04970	37.5
95.08608	21.9
97.02888	9.8
97.06541	9.6
97.10170	22.1
98.21133	9.1
99.04440	10.0
99.08052	1.9
103.05466	3.6
105.06387	2.3
105.07044	32.3
107.04951	21.2
107.08607	24.8
109.02901	3.0
109.06508	7.7
109.10161	48.2
111.04419	10.0
111.08077	14.1
117.07012	8.9
119.08585	27.9
121.02880	2.5
121.06517	11.4
121.10135	17.6
123.04431	4.4
123.08043	7.7
123.11652	3.3
125.05972	3.2
125.09611	14.7
127.03780	2.1
129.07010	17.1
131.08577	19.9
133.06467	5.7
133.10141	14.6
135.04393	8.6
135.08081	7.0
135.11662	7.9
137.05981	6.2
137.09622	4.6
142.07805	3.5
143.08524	2.9
145.06480	3.9
145.10133	11.0
147.04431	4.0
147.08073	3.8
147.11673	17.6
149.06020	3.9
149.09633	20.8
153.01817	2.3
153.09091	5.4
153.12735	7.0
155.10626	3.2
157.10118	13.4
159.04361	2.0
159.11621	3.2
161.06010	5.0
161.09657	3.2
163.11194	14.8
165.12729	3.8
167.06989	2.9
167.10722	2.9
169.10149	2.0
171.11612	2.5
172.91187	1.8
173.09624	4.3
173.11754	11.3
175.07603	2.4
175.11151	15.9
181.12215	7.0
184.07362	3.5
185.13289	2.0
189.11256	11.1
189.12660	2.8
191.10658	4.4
193.10432	3.5
193.12225	55.8
194.12585	2.9
199.13271	5.2
200.42448	1.8
205.12068	2.3
207.13734	2.6
209.11693	9.3
211.11310	3.8
211.13277	39.9
213.12759	2.6
217.14267	2.7
219.13725	2.3
223.13301	3.2
225.14828	14.4
227.12698	14.8
229.12283	2.7
229.14343	31.2
231.13904	3.9
235.13278	5.1
241.14403	2.2
243.24155	2.0
247.13327	8.7
249.14922	12.7
259.13235	3.2
263.16336	3.3
267.15912	55.6
273.14777	2.9
277.14285	2.3
283.15466	10.8
309.17001	3.4
315.18076	3.1
321.17081	2.8
334.36414	1.8
337.21414	2.8
355.22617	7.1
365.21051	10.6
373.23734	4.6
383.22119	23.7
401.23181	18.4
415.24731	3.8
421.25882	26.5
433.25772	4.6
447.27435	3.4
457.25607	5.3
463.27298	2.8
475.26981	21.5
476.26474	2.5
479.30048	2.6
489.27924	2.7
493.28015	8.3
507.29547	14.8
525.30640	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	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.7
55.05268	2.6
55.05515	37.0
57.03441	21.8
57.07066	1.9
59.04996	2.9
61.02913	4.5
62.22236	1.8
63.30570	1.5
65.03955	3.0
67.05170	3.3
67.05509	57.0
69.03436	12.7
69.06725	2.7
69.07071	36.7
69.97235	6.1
71.04984	6.0
79.05061	3.1
79.05496	60.3
81.03420	51.8
81.06589	3.2
81.07062	59.4
83.01302	3.0
83.04990	20.1
83.08621	30.0
85.02914	21.3
85.06522	2.5
91.05485	60.5
91.69305	1.9
93.07049	53.6
95.04976	29.0
95.08601	20.3
97.02895	14.5
97.06009	2.1
97.06548	14.1
97.09673	1.7
97.10184	16.0
98.21164	5.9
99.04456	2.3
99.08083	2.7
105.04530	1.7
105.07039	37.4
105.56161	1.6
107.04964	14.3
107.08604	29.0
109.06528	13.4
109.10188	10.2
111.04409	3.8
111.08111	9.8
113.06039	2.4
115.05450	2.6
117.07020	15.8
119.08586	32.2
121.06485	5.9
121.10158	18.0
123.08056	8.1
123.11741	2.4
125.09631	12.6
127.18137	1.6
129.07022	14.3
131.08572	20.7
133.06487	5.8
133.10135	17.6
135.08035	6.8
135.11710	11.1
137.09637	4.4
141.06947	1.8
142.07761	2.5
143.08562	4.6
145.06592	2.3
145.10135	19.1
147.08015	8.8
147.11703	13.9
149.09618	7.4
149.13268	4.8
157.10152	12.1
159.11688	8.6
161.09616	2.9
161.13226	2.3
163.11147	14.5
165.09103	2.9
165.12758	3.9
169.10202	2.1
171.11644	2.1
173.09645	3.2
175.11200	11.9
177.12672	2.8
181.12167	2.7
185.13196	1.6
187.11136	2.4
189.11218	5.4
191.10663	2.0
193.12271	26.5
195.13794	3.4
209.11740	4.8
211.13290	46.5
211.15266	2.9
223.13283	21.1
227.12756	8.3
249.14824	6.7
255.15639	3.4
257.18991	2.8
267.15897	30.3
269.17432	10.8
273.18555	17.9
275.20087	12.8
283.15393	35.2
285.13968	3.4
285.16983	43.8
291.19537	100.0
292.19943	3.9
347.22253	3.0
349.23758	9.2
365.23245	41.7
459.27182	2.8
463.26785	13.3
477.28519	54.3
531.20844	1.9
539.33801	2.9
557.34723	42.8
558.35114	3.7
575.35785	57.4
576.35614	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	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.3
55.05511	22.0
57.03445	14.3
61.02923	2.1
64.97474	1.3
65.03951	3.1
67.05509	74.0
69.03426	5.4
69.07073	20.2
69.46019	10.7
71.04989	5.4
75.79935	1.4
77.03942	1.8
79.05500	73.1
81.03410	14.2
81.07063	74.7
82.07387	1.9
83.01352	2.0
83.04983	16.2
83.08620	8.5
85.02908	3.1
85.06551	5.8
86.09689	2.0
91.05487	60.4
93.07056	68.9
95.04977	21.2
95.08611	31.8
97.02875	3.2
97.06545	10.1
97.10162	4.4
99.04449	2.5
99.08100	1.8
103.05438	1.6
105.04605	1.3
105.07037	51.4
107.04961	11.9
107.08604	32.9
109.02911	2.1
109.06551	10.2
109.10161	21.6
111.08103	3.5
117.07012	14.9
119.08585	25.7
121.06524	6.4
121.10155	10.8
123.04462	1.9
123.08082	5.4
123.11684	3.2
125.09638	2.2
127.07561	2.7
128.06238	3.2
129.06996	12.1
131.08575	13.2
133.06499	2.0
133.10144	35.9
135.08090	3.9
135.11705	11.9
137.09668	1.8
143.08559	7.5
145.10126	15.5
147.08040	2.4
147.11694	22.5
149.09665	6.2
149.13264	7.0
151.11156	9.4
155.08615	1.4
155.79623	1.5
157.10156	3.1
159.11681	8.5
161.09660	5.9
161.13220	8.9
163.11166	9.1
169.10152	1.4
171.11710	17.1
173.13358	1.7
175.11182	1.8
177.12785	2.6
185.13217	1.5
189.12672	7.1
195.75700	1.6
207.13828	17.3
239.17848	2.3
245.19003	2.1
249.09448	1.6
249.12146	1.6
253.14368	37.6
255.15997	4.3
257.19058	4.0
263.20309	1.7
269.17468	14.2
273.18613	8.2
274.79871	1.5
275.20084	15.6
281.17493	39.6
283.15402	10.0
291.19403	8.0
347.22147	2.7
349.23672	10.8
365.23254	6.8
367.24728	1.6
435.27530	2.5
457.64151	1.7
461.29037	20.7
475.30573	100.0
476.30844	5.0
479.26254	6.6
555.36963	17.6
573.33948	18.0
619.34167	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	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.05510	11.7
57.03438	6.8
57.07073	1.5
59.05004	0.8
61.02640	0.9
61.02927	15.4
65.03939	1.1
67.05169	1.3
67.05505	20.6
69.03429	7.9
69.07071	10.3
69.24878	2.0
69.25285	5.2
71.01321	1.4
71.04974	1.7
73.02919	10.8
79.05490	15.1
81.03441	4.0
81.07053	21.9
83.04977	1.6
83.08611	5.9
84.45218	0.6
84.59306	0.6
85.02415	1.0
85.02907	12.3
87.04447	0.7
91.03958	6.7
91.05479	14.9
93.07049	16.6
95.04966	3.1
95.08611	18.6
97.02896	12.1
97.06539	1.8
97.10165	2.6
98.21121	3.5
99.04434	0.9
99.08067	1.0
101.02366	2.1
105.07024	12.8
105.07676	1.1
107.04957	0.8
107.08599	8.9
108.04221	0.7
109.02924	1.5
109.06543	1.3
109.10167	7.5
111.08067	1.0
115.03944	0.8
117.07018	7.7
119.08582	11.3
121.10149	6.2
122.90090	0.7
123.08115	1.7
123.11728	2.9
125.09620	1.6
127.03953	3.3
128.06216	3.1
129.07001	10.5
130.07858	0.9
131.08569	11.7
133.10141	8.0
135.08066	1.1
135.11676	4.2
137.13304	0.8
141.06993	5.3
142.07758	2.7
143.08556	12.1
145.10110	12.3
147.11641	5.6
149.09628	1.1
149.13280	2.2
153.06984	2.1
154.07780	1.5
155.08559	9.7
156.09290	1.2
157.10136	12.1
159.11687	8.0
161.13277	3.8
165.06993	1.3
166.07680	1.2
166.43471	0.7
167.08574	4.9
168.09303	1.0
169.10112	11.1
170.10892	1.2
171.11699	9.1
173.13225	5.0
175.11183	0.7
175.14815	2.0
179.08578	1.5
180.09337	1.0
181.10161	8.4
183.11702	12.0
184.12341	1.0
185.13249	8.4
187.14847	3.2
189.16328	0.9
192.09399	0.7
193.10210	1.9
194.10971	1.1
195.11719	9.1
196.12509	1.0
197.13246	9.0
199.13257	0.9
199.14861	4.3
201.16397	1.0
207.11635	3.7
209.13220	6.7
211.14783	6.4
213.16414	3.2
219.11861	0.9
221.13248	3.3
223.14787	5.3
225.16409	3.6
227.18141	1.4
229.19452	0.9
233.13345	1.4
235.14857	2.1
237.16296	3.3
239.18005	2.4
241.19978	0.7
249.16478	1.2
251.17947	2.3
253.19785	1.0
263.18030	0.9
265.19458	1.2
277.19650	0.7
279.21033	1.3
297.22238	1.1
299.20432	0.9
309.22250	1.0
311.23642	0.8
313.21890	0.8
325.25415	0.8
333.25751	0.9
337.25137	1.0
339.23093	0.9
341.24518	1.1
349.25330	1.2
349.29483	0.7
351.26724	1.1
353.24527	0.9
355.25958	0.8
365.28387	1.2
389.27362	0.9
395.29584	0.8
408.36047	0.7
421.30438	0.9
447.32523	1.0
465.33914	0.9
487.34167	0.8
501.35782	1.1
515.36969	1.4
517.40430	6.4
521.36261	1.2
525.36133	1.3
527.37286	1.1
535.41455	3.2
539.37195	2.5
541.38892	1.9
573.43176	1.5
591.44128	5.3
607.43524	2.8
609.45105	100.0
610.45215	5.8
611.47076	1.1
621.45142	1.4
633.45502	1.1
735.48206	1.8
753.49335	1.9
771.50494	19.8
772.50616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.7
55.05515	24.1
57.03440	12.1
58.59420	1.3
65.03934	3.9
67.05507	70.1
69.03425	5.9
69.07065	22.2
69.84310	6.8
71.04985	4.3
71.08654	1.3
73.06563	1.9
77.03942	1.6
79.05495	94.7
81.03418	17.2
81.07061	79.6
81.07438	1.1
83.04980	19.2
83.08625	14.0
85.02907	3.8
85.06557	4.8
86.09697	5.0
90.07374	1.2
91.05485	69.8
92.05791	1.4
93.07047	82.4
95.04977	23.1
95.08610	36.8
97.02894	4.3
97.06532	14.8
97.10171	4.8
98.21062	4.0
99.08070	2.9
103.05473	2.2
105.04526	2.3
105.07034	55.8
107.04951	12.6
107.08598	36.6
109.02873	2.4
109.06543	9.8
109.10170	14.1
111.04444	2.8
111.08100	3.3
115.05450	1.6
117.07030	13.4
119.08585	36.8
121.06471	8.7
121.10149	12.8
123.08091	7.7
123.11724	1.9
125.09639	2.5
127.03922	2.4
127.07513	2.6
128.06180	2.8
129.07005	16.2
130.07809	1.7
131.08575	14.2
132.40778	1.3
133.06503	1.8
133.10129	29.0
135.08063	5.7
135.11693	15.9
137.09613	2.0
141.06998	2.4
143.08571	12.8
145.10124	20.2
147.08025	2.3
147.11696	35.5
149.09612	8.0
149.13258	7.2
151.11172	2.3
155.08580	1.7
156.09383	2.1
157.10139	3.2
159.11713	10.2
161.09625	6.5
161.13289	11.4
163.11191	14.8
169.10097	2.2
171.11690	25.9
173.04434	2.9
173.13261	3.0
177.12759	3.5
179.14363	2.4
181.12222	1.6
183.11693	2.4
189.12759	8.5
195.13754	2.8
197.13231	1.8
207.13811	25.1
210.63150	1.5
225.14944	1.4
227.12779	12.0
229.19423	1.6
239.17946	2.9
247.68205	1.4
253.14438	10.9
255.15968	5.0
257.19031	9.1
267.15915	2.2
269.17471	14.6
273.18335	3.2
275.20068	24.4
281.17484	73.8
282.17847	2.3
283.15558	7.0
291.19614	4.4
293.21051	1.9
347.22339	1.8
349.23776	15.2
365.23193	2.1
413.21890	2.6
451.26688	2.7
461.29053	26.3
464.37527	1.4
475.30579	100.0
476.30927	2.2
479.26431	4.9
537.35767	2.9
555.36841	32.6
573.34204	7.8
581.56720	2.0
619.33716	3.0
632.54797	1.5
778.15741	1.5
801.98743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.2
55.05515	23.3
57.03434	9.7
59.04993	1.2
61.02926	1.9
65.03929	3.3
67.05508	62.9
69.03413	5.7
69.07069	20.7
69.14111	1.2
69.91312	6.7
71.04980	5.7
73.06547	1.9
79.05495	68.1
81.03423	15.3
81.07059	69.2
83.04990	14.5
83.08630	9.9
85.02892	3.0
85.06533	4.6
87.05598	1.4
91.05482	60.7
92.73614	1.5
93.07048	70.1
95.04982	17.6
95.08039	2.4
95.08611	31.9
97.02895	3.1
97.06547	8.3
97.10171	3.0
98.20824	1.9
98.21378	2.2
103.05480	2.1
105.07034	47.3
107.04982	8.5
107.08602	35.0
109.06519	7.1
109.10160	19.9
111.04430	2.9
111.08071	4.2
115.05448	1.9
117.07016	15.1
119.08581	27.1
121.06509	2.9
121.10141	11.0
123.08039	5.5
123.11695	4.8
125.09606	2.6
127.07496	2.0
128.06235	3.5
129.07005	13.6
131.08588	14.2
133.06512	2.7
133.10136	27.4
135.08028	3.9
135.11691	10.2
141.06895	1.4
143.08589	7.4
145.06456	1.8
145.10146	13.5
147.08014	3.4
147.11694	28.6
149.09644	6.9
149.13287	7.6
151.11163	5.4
155.08502	2.1
157.10123	2.7
159.11679	7.5
161.09636	4.4
161.13243	7.0
163.11185	8.9
169.10042	1.9
171.11729	16.1
173.04399	1.6
173.09541	1.3
173.13240	3.3
177.12762	2.3
180.54240	1.6
189.12827	6.7
191.14273	1.6
207.13821	17.2
225.14844	2.0
232.57910	1.4
253.14374	32.9
255.15875	3.4
257.19019	3.9
269.17505	18.0
273.18405	4.7
275.20087	13.7
281.17487	45.1
283.15335	10.0
291.19461	5.1
347.22330	1.5
349.23779	8.8
365.23294	4.0
435.27399	1.6
442.04291	1.4
451.26984	2.1
457.29517	2.4
461.29004	18.8
475.30554	100.0
476.30771	3.1
479.26379	4.1
555.37079	20.1
573.33661	7.1
575.34979	1.7
576.07782	1.6
619.34875	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	770.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.9
55.05257	3.0
55.05509	30.6
57.03437	15.4
57.07050	2.6
59.04995	5.1
61.02918	3.7
65.03917	3.0
67.05506	73.3
69.03414	7.8
69.06779	1.8
69.07076	21.2
71.04994	8.7
71.57594	1.5
79.05496	67.9
79.05956	3.7
81.03423	22.8
81.07057	94.0
83.01349	8.8
83.04985	28.5
83.08621	21.8
85.02885	9.2
85.06540	9.3
91.05481	82.5
91.05917	1.0
93.07047	74.0
95.04971	20.8
95.08038	2.8
95.08604	30.8
97.02882	7.5
97.06534	13.5
97.10168	4.9
99.04438	6.2
99.08069	2.0
99.53033	1.8
100.11214	1.7
103.05438	4.2
105.04546	1.8
105.07034	67.3
105.07755	3.4
107.04967	19.1
107.08595	55.4
109.02870	4.4
109.06529	20.6
109.10159	66.4
111.04450	2.9
111.08041	5.6
115.05435	2.7
117.07003	19.3
119.08582	29.1
121.06505	14.4
121.10146	18.7
123.08064	15.7
123.11705	9.3
125.05975	3.3
125.09599	4.5
127.07572	2.1
128.06209	5.3
129.07001	8.5
130.07809	3.0
131.08577	21.2
133.06450	7.8
133.10130	76.8
135.08041	11.2
135.11702	19.5
137.06029	2.1
137.09612	5.8
137.54643	2.0
143.08583	10.0
145.06456	2.5
145.10118	25.3
147.08023	6.4
147.11649	8.9
149.03491	2.0
149.09599	9.5
149.13240	2.3
151.07570	2.2
151.11185	38.8
153.12741	3.0
155.08554	4.5
157.10085	6.6
159.08052	4.4
159.11679	5.2
161.09628	12.6
161.13217	3.3
163.07541	3.2
163.11192	29.6
164.11502	2.3
165.12788	1.9
169.10118	3.1
169.12268	7.8
171.11684	8.1
173.09627	4.7
173.13248	2.0
175.11157	3.1
177.09070	3.4
179.10574	2.1
181.12254	6.9
189.12784	3.1
191.10669	3.4
201.12758	2.6
207.13751	2.9
209.11743	8.9
215.12715	5.2
217.12305	1.9
223.13225	1.9
227.12845	8.6
227.17989	3.0
233.15373	2.5
245.13710	1.7
245.19112	8.6
251.12790	3.2
253.14352	92.7
255.17458	5.8
263.20074	4.1
267.15863	3.8
271.15472	3.7
273.18509	46.2
275.20065	5.5
281.17435	5.8
283.15408	80.3
284.15646	1.8
289.18002	2.2
291.19565	34.3
309.20612	4.8
347.22119	14.5
349.23749	2.4
365.23215	44.4
435.27164	2.4
475.30478	4.1
477.24667	5.2
479.26447	50.1
480.26373	2.7
555.32550	17.1
573.34216	100.0
574.34418	4.7
603.06097	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	770.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78957	0.7
55.01881	10.6
55.05514	26.7
57.03442	10.5
57.07081	1.7
59.04991	2.2
61.02918	2.5
65.03929	2.1
67.05505	33.0
69.03440	8.0
69.07072	24.0
71.01366	1.1
71.04993	4.2
71.56824	1.0
73.02921	1.2
79.05497	34.7
81.03423	15.0
81.07061	30.0
83.01344	8.1
83.04985	10.8
83.08621	16.2
85.02897	5.5
85.06548	1.1
91.03941	0.8
91.05482	27.1
93.03446	0.8
93.07050	33.3
94.04185	0.9
95.01330	1.1
95.04964	12.5
95.08610	13.7
97.02903	11.1
97.06545	6.6
97.09609	1.1
97.10185	11.1
99.04458	2.0
99.08086	0.8
101.53576	0.7
103.05474	1.2
105.07037	23.1
107.04956	11.8
107.08603	20.1
109.02841	1.3
109.06528	7.9
109.10159	8.2
111.04430	2.1
111.08089	2.9
115.05428	1.9
116.06252	0.9
117.07032	12.3
119.04944	2.0
119.07777	1.4
119.08585	19.3
121.06514	5.1
121.10153	9.6
123.04395	1.3
123.08069	9.1
125.06033	1.3
125.09624	8.1
127.06157	0.9
128.06271	1.4
129.05537	0.8
129.06978	5.2
130.07791	1.7
131.04906	0.9
131.08557	10.4
133.06499	3.4
133.10139	7.9
134.07269	1.1
135.08081	4.8
135.11719	8.2
137.09662	3.1
141.07045	0.7
143.08542	4.1
145.06476	1.6
145.10139	16.8
145.11258	1.1
147.08026	6.1
147.11592	3.8
149.09589	3.7
149.13239	1.6
151.11157	1.4
153.09068	1.6
153.12704	1.7
155.08522	1.9
157.10135	2.1
158.96477	0.7
159.08110	1.0
159.11777	3.6
161.09616	2.3
161.13213	1.2
162.10345	1.0
163.11192	17.4
165.09117	1.5
165.12698	0.8
167.00850	0.7
169.10117	1.2
171.10272	1.0
171.11682	3.2
173.09621	2.6
173.11809	1.0
175.11191	1.7
177.12782	1.7
179.10823	0.7
181.12257	2.9
184.07295	1.2
185.13335	1.0
189.11217	4.6
189.12711	1.5
191.10689	1.4
193.12193	1.4
197.13232	0.8
205.12233	2.0
209.11728	3.8
211.13283	1.1
213.12698	0.8
223.13307	17.5
223.51190	0.8
224.13600	1.1
227.12790	8.2
245.19003	1.7
249.14870	2.0
253.14325	2.3
257.19104	1.2
267.15961	2.1
273.18484	14.2
275.20184	1.7
281.17566	1.6
283.15405	71.3
284.15787	2.0
291.19547	100.0
292.19803	3.6
347.22198	2.5
365.23239	48.7
366.23663	1.3
400.38708	0.8
446.12344	0.8
453.24731	1.2
493.27936	2.9
505.01984	0.8
541.35187	2.5
555.25177	0.7
555.33917	3.0
573.34229	92.3
574.34607	5.4
608.43365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93416	0.8
55.01877	12.4
55.05262	1.6
55.05515	21.3
55.05780	1.4
57.03441	11.5
57.07075	1.4
59.05001	1.3
61.02914	3.5
65.03952	1.9
67.05509	53.9
68.05835	1.0
69.03440	5.2
69.07076	14.6
69.74268	5.7
71.01365	1.6
71.04990	6.3
77.03924	1.4
79.05496	45.2
81.03420	13.0
81.07061	54.3
83.01338	4.7
83.04990	14.5
83.08620	12.1
85.02907	3.4
85.06541	5.6
91.05486	53.4
93.07049	43.6
95.04974	15.2
95.08037	1.8
95.08611	20.2
97.02892	3.2
97.06532	7.3
97.10194	2.7
99.04449	3.7
99.08072	1.6
103.05465	1.8
105.04536	1.1
105.07036	44.1
107.04965	12.6
107.07860	1.8
107.08598	36.5
109.06519	12.2
109.10161	40.1
111.04445	3.0
111.08085	2.9
113.06007	2.3
115.05431	1.4
117.07031	11.7
119.08591	15.2
121.06488	7.5
121.10143	10.3
123.08073	7.6
123.11703	7.1
125.06004	1.6
125.09605	1.6
127.07585	1.5
128.06212	2.2
129.06987	6.1
130.07738	1.7
131.04970	1.1
131.08578	9.2
133.06503	4.3
133.10139	50.9
134.10411	1.1
135.08118	6.1
135.11697	10.2
137.09625	2.4
139.07599	1.4
141.06953	1.1
142.07848	1.0
143.08562	4.9
145.10127	14.0
147.08069	3.8
147.11734	7.5
149.09608	6.6
149.13243	1.6
151.11179	22.1
155.08568	1.2
157.10153	2.9
159.08075	1.6
159.11627	2.4
161.09654	4.5
161.13268	3.7
163.11200	17.3
169.10153	1.4
169.12244	4.3
171.11694	5.6
173.04382	1.1
173.09647	3.2
175.11166	2.1
177.09149	2.9
179.10612	1.3
181.12314	1.8
185.13402	1.4
189.12717	2.3
191.10640	2.0
195.11891	1.0
207.13756	5.3
209.11705	4.7
213.12912	1.2
215.12740	2.2
227.12817	3.9
245.19092	2.6
251.12854	3.5
253.14360	100.0
254.14709	2.8
255.17610	2.0
263.20175	3.2
269.17526	2.8
271.15372	1.3
273.18500	18.1
275.20074	2.7
281.17471	8.4
283.15402	48.7
284.16022	1.3
291.19547	20.0
309.20474	1.4
311.14978	1.5
347.22180	7.9
349.23703	2.6
365.23245	20.8
461.29099	5.0
475.30551	24.1
477.25064	2.7
479.26456	33.7
480.26385	2.2
493.28262	1.3
555.33069	5.6
573.34222	45.6
574.34210	2.5
591.34821	1.2
701.17621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.05512	41.1
57.03434	6.9
58.22604	1.0
59.05003	1.5
65.03938	2.5
67.05505	37.2
69.03422	8.8
69.07076	9.4
69.62112	1.1
70.03825	4.3
71.04975	3.6
77.97436	1.0
79.05495	34.7
81.03419	39.2
81.07053	29.0
83.04983	10.2
83.08622	27.9
85.02909	11.2
85.06545	2.0
91.04896	1.2
91.05479	41.6
93.07046	20.8
95.04972	17.7
95.08604	10.1
97.02892	3.7
97.06520	4.0
97.10173	54.5
98.20773	1.6
98.21358	2.5
99.08099	1.1
103.05447	1.3
105.07033	18.2
107.04963	5.5
107.08599	22.4
107.96114	1.0
109.06533	5.3
109.10172	7.5
111.04455	1.5
111.08082	9.0
115.05447	4.3
117.07011	16.7
119.04954	1.2
119.08584	42.7
121.06492	3.6
121.10124	5.8
123.08073	2.1
124.09132	1.1
125.09628	39.5
127.03965	1.8
128.06216	1.3
129.06975	8.2
131.08585	11.0
133.06490	1.9
133.10114	7.6
135.08063	9.2
135.11700	1.3
137.09608	1.7
141.07039	2.7
142.07750	2.2
143.08627	5.9
143.10646	3.3
145.06477	16.1
145.10114	4.0
147.08040	4.1
147.11705	8.9
149.09625	5.4
151.11084	1.3
153.09103	4.6
157.10115	9.7
159.08046	7.6
159.11688	1.9
161.09557	2.3
163.07518	1.9
163.11217	1.6
165.12811	1.9
169.10156	1.7
171.10167	4.7
173.09590	1.9
175.11208	10.5
183.11629	1.5
189.11220	26.2
193.12242	28.7
211.11606	0.8
211.13293	50.3
227.12781	100.0
228.13116	1.8
243.17583	2.1
245.13789	5.1
253.15833	2.1
267.15891	11.8
271.16928	34.5
272.17029	1.3
285.16953	21.5
289.17899	8.8
345.20468	8.3
363.21637	12.8
399.50845	1.2
419.24142	3.4
437.25446	17.4
455.26358	31.0
510.47815	1.6
537.31891	6.7
555.33215	17.1
573.34210	26.7
574.34509	1.5
753.97351	1.3
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
55.01874	9.3
55.05263	1.6
55.05514	24.7
57.03431	9.4
57.07094	1.1
65.03934	5.7
67.05505	87.1
69.03448	5.7
69.06719	1.4
69.07071	22.9
69.92830	6.0
71.04981	6.1
73.06541	2.6
77.03896	1.3
79.05493	100.0
79.28161	1.2
81.03413	11.3
81.07056	84.1
83.04986	19.4
83.08620	9.3
85.02899	2.0
85.06535	6.7
91.05481	97.5
93.07043	89.8
93.99090	1.1
95.04972	27.0
95.08607	36.1
97.02868	3.6
97.06532	7.2
97.10147	5.3
98.21112	2.6
99.04443	1.3
99.08064	2.2
103.05480	2.7
105.04527	2.5
105.07033	84.0
107.04947	13.8
107.08592	44.3
109.06512	12.0
109.10158	46.6
109.10916	2.0
111.04460	1.4
111.08080	4.8
113.05994	2.6
115.05450	4.4
117.07027	17.8
119.04925	1.1
119.07793	2.2
119.08587	28.1
121.06511	11.3
121.10136	10.0
123.04413	1.8
123.08068	8.8
123.11705	7.6
125.09662	2.0
127.07510	4.0
128.06219	4.1
129.07007	19.3
130.07790	2.3
131.08575	17.6
133.06517	6.8
133.10130	64.0
135.08080	8.2
135.11670	5.0
137.09622	3.6
139.07547	2.6
143.08559	13.2
145.06421	2.1
145.10112	15.1
147.08083	5.9
147.11690	33.8
149.09607	10.0
151.11192	25.9
155.08624	1.3
156.09352	1.7
157.10100	4.3
159.08070	3.4
159.11674	5.5
161.09613	12.3
161.13232	9.7
163.11166	2.9
165.08980	1.3
165.12740	1.5
169.10126	1.6
169.12212	4.4
169.18102	1.2
171.11679	27.9
173.09631	1.7
173.13208	1.6
175.11198	4.7
177.09114	1.6
177.12764	1.6
177.97716	1.2
184.48181	1.2
185.13289	2.2
187.11166	1.7
189.12724	12.8
195.11700	1.4
207.13799	26.2
209.13135	1.1
215.12746	2.4
225.14699	1.6
227.17958	1.7
245.18987	5.0
251.12762	3.1
253.14352	92.3
255.17447	4.3
263.16290	1.4
263.20139	2.9
273.18500	36.6
275.20126	2.2
281.17474	60.6
282.17776	2.1
291.19537	37.4
309.20529	4.1
347.22189	15.2
349.23770	1.4
365.23233	30.4
398.45667	1.4
459.27335	1.4
465.14496	1.1
475.26807	4.1
477.28473	31.4
529.38800	1.5
543.36749	2.7
553.35321	14.5
571.36292	85.8
572.36420	3.9
609.44440	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	768.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36030	0.9
55.01880	5.2
55.05262	1.9
55.05512	27.1
57.03432	7.4
62.93140	1.1
65.03929	2.5
67.05503	41.3
69.03423	8.2
69.06728	1.7
69.07073	22.1
71.04989	2.4
72.10756	1.0
72.99627	1.0
79.05493	56.2
79.36640	1.1
81.03420	10.7
81.07056	38.3
83.04984	12.3
83.08289	0.9
83.08624	8.8
85.02869	1.1
85.06532	2.2
91.04899	1.2
91.05480	39.7
93.07047	50.4
95.04966	20.0
95.08057	1.3
95.08611	20.7
97.02894	8.8
97.06516	6.0
97.10171	11.8
98.21123	6.6
103.05444	1.7
104.69272	1.1
105.04511	1.1
105.07028	33.9
107.04961	9.4
107.08588	18.2
109.06509	4.9
109.10159	7.6
111.08089	1.8
117.07018	9.1
119.04912	1.3
119.08584	24.8
121.06489	4.6
121.10150	5.5
123.08101	5.8
125.05942	1.1
125.09644	6.6
128.06242	2.4
129.06999	10.2
130.07782	1.5
131.08600	6.8
133.06506	3.6
133.10138	9.6
133.37091	1.2
134.07246	1.2
135.08069	3.1
135.11722	2.5
138.67418	1.3
141.06990	2.0
143.08560	6.8
145.10117	11.8
147.08011	6.6
147.11690	17.6
149.09576	1.6
149.13271	1.4
157.10121	2.9
159.11668	3.3
159.80083	1.1
161.09619	4.8
161.13217	4.9
163.11165	1.7
165.09088	2.2
167.08521	1.3
170.88600	1.1
171.11665	13.4
173.09711	1.2
175.11122	2.0
180.36713	1.1
189.11180	3.2
189.12733	5.8
205.12302	1.5
207.13773	13.1
223.13274	14.5
227.12766	4.9
249.14810	3.0
262.15649	1.1
273.18433	11.9
275.19879	1.4
281.14297	1.2
281.17471	48.1
291.19534	74.0
292.19788	1.8
332.97198	1.1
347.22141	2.6
365.23221	26.5
378.36044	1.2
451.26855	2.0
473.28873	1.9
553.34967	3.9
571.36285	100.0
572.36383	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	766.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05519	1.3
56.05032	0.4
57.03429	1.2
57.07079	3.2
58.06607	0.3
60.07879	0.4
60.08167	6.0
67.05507	2.4
69.03431	0.5
69.07085	1.3
70.06517	0.2
71.07377	3.6
71.08636	2.8
71.58424	0.4
73.02937	0.3
79.05503	1.4
81.03423	8.1
81.07055	2.5
83.04973	0.4
83.08632	2.4
85.02898	0.8
85.10194	1.3
86.09708	28.7
87.10033	0.5
91.05468	1.8
93.07034	0.9
95.04435	0.3
95.04980	3.2
95.08598	1.8
97.02881	0.6
97.10153	0.8
98.98476	3.2
99.04484	0.4
104.10744	2.0
105.07021	1.2
107.04956	0.8
107.08583	0.5
109.02907	0.8
109.10151	1.0
111.04411	0.5
111.08118	0.6
117.07018	0.4
119.08578	1.2
121.06534	0.5
121.10180	0.6
123.04408	0.4
125.00010	19.6
129.06984	0.9
131.08580	0.7
133.06543	0.3
133.10152	0.5
145.10107	0.4
147.11702	0.6
149.09631	0.5
157.10130	0.4
160.11156	0.4
173.11957	0.3
175.11147	0.8
184.07346	100.0
185.07689	0.8
189.12773	0.3
191.00255	0.3
193.12231	3.1
211.13287	0.3
235.13257	0.4
239.23674	0.6
249.14955	0.5
250.28996	0.3
258.08795	0.3
267.15927	8.4
268.16309	0.4
277.14276	0.4
309.16937	0.4
313.27368	8.7
493.17194	1.9
505.38889	5.5
506.38553	0.3
523.40082	0.4
533.41742	0.5
539.28778	1.1
659.63947	0.3
716.48639	5.8
717.48865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.1
55.05516	23.8
57.03440	8.9
57.07083	2.0
59.04994	1.5
59.49035	1.3
61.02929	1.6
65.03930	5.7
67.05508	75.0
67.85670	1.8
69.03426	5.7
69.07069	18.0
71.05000	5.9
77.03916	2.2
79.05495	89.0
81.03422	11.9
81.07061	78.1
83.04985	17.8
83.08622	12.2
85.02895	3.2
85.06547	5.5
91.05483	100.0
93.07044	86.5
95.04967	27.3
95.08049	2.4
95.08611	35.9
95.09223	1.8
97.02900	2.9
97.06542	9.4
97.10180	5.1
98.20766	3.4
99.08080	2.5
103.05460	2.8
105.04529	3.7
105.07034	70.9
107.04979	17.1
107.07876	2.3
107.08597	40.4
107.09295	3.3
109.06519	10.9
109.10159	36.0
111.04392	1.8
111.08080	4.4
115.05474	3.8
117.07029	13.6
119.08579	32.7
121.06523	11.8
121.10139	13.4
123.08104	8.7
123.11705	5.8
125.05977	2.0
127.07549	2.6
128.06215	4.7
129.07019	20.5
130.07756	1.8
131.08566	20.3
133.06519	8.0
133.10135	59.6
135.08066	11.0
135.11679	8.4
137.09615	3.9
139.07529	3.3
143.08582	15.8
145.06422	1.9
145.10107	14.8
147.08104	8.2
147.11691	33.6
149.09589	9.0
151.11192	22.6
155.08514	2.2
157.10150	4.5
159.08031	4.8
159.11679	7.1
161.09653	10.8
161.13264	11.2
163.07573	2.6
163.11116	2.9
169.10071	1.7
171.11700	27.2
173.13237	2.0
175.11203	5.8
177.09090	4.6
177.67342	1.6
179.10672	2.0
187.11195	1.8
189.12746	10.9
207.13803	26.3
215.12746	3.5
217.16089	2.2
217.45081	1.6
227.18088	2.2
245.18982	8.3
251.12788	7.4
253.14366	63.6
255.17522	4.3
263.20160	3.7
273.18506	42.0
275.20032	1.9
281.17477	60.6
282.18094	1.6
283.20944	1.5
291.19547	40.0
291.22845	2.3
309.20490	2.8
347.22287	16.6
365.23215	31.3
475.27072	4.1
477.28439	24.2
489.28528	1.5
553.35126	19.8
571.36310	99.7
572.36353	3.7
597.82806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05513	7.7
57.03181	1.2
57.03441	12.1
57.07078	32.2
60.08160	1.0
60.91080	0.9
65.03933	0.8
67.05507	20.2
69.03429	1.6
69.07072	8.4
69.16945	0.8
71.04985	1.1
71.08632	23.9
71.57272	0.9
73.02898	1.0
79.05496	10.9
81.03419	57.1
81.07056	21.2
83.04977	3.7
83.08620	20.3
84.08161	1.1
85.02900	2.4
85.10183	15.0
86.09710	1.7
89.06030	1.7
90.41807	0.9
91.05487	13.3
93.07030	8.6
95.01321	1.6
95.04970	16.2
95.08611	22.6
97.02907	1.7
97.06508	1.4
97.10189	6.2
97.36086	0.9
105.07040	9.5
105.14816	1.0
107.04965	4.0
107.08589	4.0
109.02908	1.8
109.06518	2.0
109.10162	10.6
111.04436	1.4
111.08115	4.4
111.11703	0.9
112.13112	0.9
115.05486	1.4
117.06978	1.5
119.08578	10.3
121.10136	5.2
123.04447	3.2
123.08090	1.2
123.11721	4.3
124.99997	1.1
129.07022	6.6
130.08652	2.6
131.08563	6.1
133.06499	2.2
133.10147	3.3
135.11726	0.9
137.09607	1.4
137.13263	1.9
142.07793	1.5
145.06506	0.9
145.10095	1.8
147.08041	3.1
147.11688	6.8
149.09615	4.1
157.10170	7.0
163.11237	1.0
175.11171	6.9
184.07321	2.8
193.12257	24.9
194.12573	1.0
207.13811	1.1
211.13272	1.3
235.13333	3.5
239.23721	5.4
249.14957	1.8
257.24597	1.8
267.15924	76.0
271.13336	1.5
281.17526	5.2
285.17227	1.1
289.14648	1.4
309.16901	3.3
313.27371	100.0
314.27783	2.5
335.25894	6.0
415.26547	1.6
431.35181	1.5
443.19290	1.2
489.30499	2.5
493.17419	2.5
505.38858	69.0
506.39252	3.5
523.39960	1.5
539.28485	1.8
541.38879	14.3
547.39911	5.8
601.40936	2.2
627.38239	1.4
663.40631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05505	6.8
57.03437	10.8
57.07077	27.3
65.65486	0.8
67.05504	14.9
69.03425	1.3
69.07072	8.3
69.33735	8.1
69.71487	1.0
71.01352	1.1
71.04973	1.9
71.08629	21.5
71.20875	0.9
73.02896	1.6
79.05492	7.9
80.21604	0.9
81.03416	50.1
81.07053	18.1
83.04975	3.3
83.08612	15.3
85.02901	3.6
85.06520	1.1
85.10183	13.2
86.09676	1.9
89.06014	1.7
91.05486	9.5
93.07037	5.6
95.04971	16.6
95.08599	18.0
97.02870	2.4
97.06544	1.5
97.10162	4.4
98.21133	4.2
105.07041	7.3
107.04953	5.1
107.08591	2.4
109.02876	2.1
109.06523	2.2
109.10149	7.3
111.04451	2.1
111.08070	4.6
117.07026	1.9
119.08591	7.6
121.06532	2.3
121.10143	3.7
123.04400	2.2
123.08059	1.0
123.11684	2.6
124.99953	1.3
127.03890	1.0
129.07016	5.5
131.08569	4.6
133.06483	2.3
133.10139	3.2
137.09616	1.2
137.13239	1.4
141.01846	1.2
142.07782	1.4
145.10100	1.3
147.08051	2.8
147.11694	5.2
149.09637	3.8
155.02414	0.8
157.10089	5.4
163.11128	1.0
175.11195	5.5
184.07315	5.1
192.04379	0.9
193.12242	23.9
211.13326	1.9
235.13257	2.8
239.23723	6.4
249.15030	1.6
257.24701	2.1
267.15915	79.8
268.16272	2.0
277.14389	1.0
281.17426	1.2
285.17038	1.5
289.14288	1.8
309.16882	3.0
313.27350	100.0
314.27582	3.9
402.73093	0.9
415.26929	2.6
443.19104	1.2
467.37164	0.9
474.99490	1.0
489.30762	1.8
493.17441	4.5
505.38867	70.5
506.39273	6.1
507.54288	1.1
539.28528	3.7
547.39777	3.9
601.40936	2.2
612.99371	0.9
645.39392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05503	1.8
57.03439	2.2
57.07067	1.5
61.02923	5.4
61.45877	0.8
65.03941	0.9
65.15233	0.8
67.05503	7.3
69.03432	3.0
69.07066	2.8
70.17439	2.4
71.04991	4.1
71.08614	0.7
73.02924	3.3
79.05486	5.1
81.03426	4.9
81.07053	8.5
83.05000	1.1
83.08639	1.4
85.02907	5.6
85.06570	0.8
87.36243	0.8
91.03969	3.5
91.05483	4.9
93.07035	4.9
95.04969	1.1
95.08605	4.7
97.02886	3.9
97.06573	1.2
99.04445	1.0
101.02414	1.1
105.07052	2.2
107.08608	2.9
109.10188	2.1
111.04430	0.8
117.07019	0.8
119.08599	2.1
121.10158	1.6
121.41193	0.7
123.11743	1.6
127.03940	1.2
131.08586	1.6
133.10107	3.6
135.11697	0.7
145.10155	1.2
147.11754	0.8
149.13217	0.8
151.11220	1.0
159.11758	1.3
167.03365	0.8
184.07454	2.0
210.97858	2.5
227.20107	1.1
243.08501	2.0
267.15933	2.2
301.16693	0.8
313.27460	0.9
325.27594	1.3
339.29108	1.2
418.98785	0.9
485.23553	8.2
487.34064	1.3
517.39380	1.1
519.29376	5.4
548.40308	0.8
566.41455	1.0
665.52759	1.0
713.34589	2.0
763.46051	100.0
764.46228	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	766.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05510	11.8
57.03441	13.2
57.07077	37.8
60.08148	2.6
61.15820	1.7
67.05501	19.4
69.03413	5.3
69.07085	8.9
70.30246	1.7
71.08286	1.7
71.08637	22.6
73.02917	4.5
79.05488	12.9
80.70615	1.6
81.03419	75.2
81.07056	22.6
83.04990	3.2
83.08624	24.2
85.02917	4.8
85.10195	13.5
86.09714	16.2
89.06037	2.6
91.05472	12.5
93.07051	8.7
95.04970	23.5
95.08614	22.8
97.02892	3.0
97.10158	4.2
98.20728	4.1
98.21393	6.1
99.04479	3.8
105.07043	12.0
107.04951	5.1
107.08585	4.5
108.08894	1.6
109.02890	5.8
109.06520	4.5
109.10178	10.7
110.03676	4.7
111.04424	4.5
111.08076	5.4
119.08607	8.5
121.06525	4.5
121.10133	6.6
123.04416	3.1
123.11716	5.1
125.00003	6.9
127.03906	3.8
129.07048	8.2
131.08583	8.6
132.99591	2.1
133.06525	3.4
133.10121	3.8
133.57640	1.8
145.10089	2.2
147.08032	3.3
147.11674	7.9
149.09613	3.5
157.10121	9.6
163.11136	2.4
175.11176	8.3
184.07362	35.9
191.00154	2.9
193.12256	36.5
211.13231	3.0
235.13309	6.9
239.23692	6.6
249.14835	4.7
267.15933	98.2
268.16171	2.3
277.14389	5.5
301.14163	3.9
313.27374	100.0
314.27634	5.5
331.28323	2.1
341.30499	5.5
374.98441	1.6
399.26837	1.9
493.17560	21.4
505.38864	71.7
506.39124	4.3
533.41962	5.9
539.28937	13.1
547.39703	6.3
654.97021	2.0
716.48584	2.6
766.44690	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	762.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.1
56.05034	0.7
58.06628	0.6
60.08163	6.2
67.05492	0.4
69.07079	0.1
69.89129	0.3
69.89542	0.4
71.07372	3.1
73.79836	0.1
79.05479	0.3
81.03419	0.1
81.07048	0.4
86.09704	30.1
87.10026	0.2
91.05486	0.4
93.07054	0.4
95.04962	0.2
95.08605	0.3
97.10143	0.2
98.21237	0.4
98.98464	3.5
98.99111	0.2
104.10745	2.5
105.07043	0.3
107.08579	0.2
109.10160	0.1
119.08595	0.2
125.00005	19.8
143.00986	0.2
155.69110	0.1
173.30663	0.1
184.07338	100.0
185.07765	0.7
222.08990	0.1
433.28000	0.1
597.30353	0.1
674.36780	2.0
727.44080	0.2
728.44904	2.1
729.44354	0.2
744.44110	1.0
762.41217	0.4
763.41235	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	762.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.05026	0.8
58.06631	0.4
59.07396	0.1
60.08166	5.9
60.08472	0.3
61.24757	0.1
61.52164	0.1
61.70076	0.1
67.05506	0.6
69.07063	0.3
69.88980	0.1
69.89272	0.7
71.07375	3.6
79.05491	0.5
81.03425	0.3
81.07059	0.3
83.04975	0.1
84.53551	0.1
86.09705	30.4
87.10033	0.2
91.05486	0.2
93.07059	0.3
95.08588	0.4
98.21060	0.4
98.98469	3.2
98.99113	0.2
104.10744	2.2
105.07047	0.2
105.23116	0.1
107.08575	0.2
109.10152	0.1
119.08621	0.1
123.12969	0.1
125.00005	20.0
126.00377	0.1
126.58480	0.1
143.01057	0.3
182.24207	0.1
184.07339	100.0
185.07729	0.9
252.01843	0.1
267.15942	0.3
337.27289	0.3
436.64105	0.2
491.99600	0.1
520.33887	0.2
529.38550	0.2
547.39081	0.2
712.45435	5.7
713.45337	0.6
763.39685	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	762.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
58.06354	0.2
58.06633	0.5
60.08166	6.4
67.05496	0.4
70.06599	0.3
71.07377	3.5
71.30257	0.1
71.30590	0.2
79.05498	0.2
81.03416	0.3
81.07057	0.4
86.09708	31.5
87.10030	0.3
89.20211	0.1
91.05524	0.2
95.08598	0.3
98.21281	0.2
98.98466	3.7
103.27521	0.1
104.10742	2.0
105.07080	0.2
107.08623	0.2
108.24256	0.1
119.08607	0.1
125.00008	21.7
131.77144	0.1
143.01051	0.1
173.13133	0.1
184.07346	100.0
185.07672	0.7
224.62560	0.1
244.64693	0.1
414.71182	0.1
428.07126	0.1
607.15472	0.1
617.21954	0.1
653.23407	0.1
712.45453	5.2
713.45074	0.4
721.41742	0.1
762.40350	0.2
763.40790	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	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01879	0.7
55.05503	1.8
57.03431	1.6
58.06596	0.4
61.02929	4.9
67.05515	4.9
69.03440	3.1
69.07067	1.9
69.32503	2.5
69.32928	1.4
71.04990	1.0
73.02915	2.9
79.05495	4.5
81.03409	2.3
81.07058	7.2
83.04992	0.8
83.08614	1.6
85.02901	4.3
86.09715	2.2
91.03986	2.1
91.05480	3.0
93.07046	4.4
95.04959	1.2
95.08609	2.7
97.02902	3.7
97.06508	0.9
97.27853	0.4
98.20886	1.4
99.08096	0.5
101.02390	1.5
105.07028	2.2
107.08605	3.0
109.02879	0.6
109.06508	0.6
109.10168	0.7
111.08080	0.5
117.07040	1.2
119.08596	0.9
121.10159	1.3
123.08004	0.7
125.00011	1.7
125.09657	0.4
127.03954	1.3
129.40248	0.4
131.08583	1.6
133.10153	1.6
135.11713	0.9
147.11678	0.8
149.13240	2.6
159.11685	1.1
173.61621	0.4
176.41348	0.4
184.07349	7.5
185.04276	1.0
185.07709	1.3
195.13797	0.6
243.08388	2.1
258.70514	0.6
291.15781	0.5
311.32748	0.5
322.42242	0.4
333.20438	2.0
389.23239	0.4
439.19836	0.9
439.96246	0.4
453.20987	9.3
492.18295	0.5
535.29132	0.6
551.28381	5.3
763.42365	100.0
764.42645	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	761.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01889	0.9
55.05514	2.6
57.03446	1.7
59.05003	1.7
61.02932	5.0
67.05517	4.5
69.03430	3.4
69.07064	1.1
71.04988	3.0
71.07368	0.7
71.58311	0.9
73.02911	2.5
79.05521	4.1
81.03413	7.1
81.07072	4.6
83.04980	2.0
83.08654	0.9
85.02914	5.5
85.06531	1.3
91.03977	1.7
91.05485	5.6
92.83921	0.7
93.07053	4.5
93.40290	0.7
95.04988	2.3
95.08624	2.4
97.02911	3.2
97.06566	0.9
99.04457	1.4
100.78710	0.7
101.02385	1.3
103.03942	0.9
105.07025	5.3
107.04977	2.1
107.08611	3.3
109.02902	1.0
109.10194	1.5
112.36405	0.8
119.08581	3.8
121.10135	3.9
123.08098	0.8
123.11729	1.1
125.09617	0.9
127.03996	2.1
129.06996	1.7
131.08577	2.4
133.06587	1.1
133.10149	2.1
137.05962	1.7
145.10057	0.9
147.11749	2.2
149.05962	0.8
149.09631	3.6
151.03886	1.2
151.07536	0.9
157.10204	2.2
159.11717	0.9
161.09586	1.2
164.47993	0.7
167.05765	0.7
167.07056	3.4
175.11255	2.3
181.05006	1.2
184.07417	1.2
184.93456	0.7
191.06987	1.4
193.12242	2.1
197.72191	0.9
225.14963	1.2
243.08482	2.2
267.15994	1.2
283.15195	6.9
339.17853	1.7
426.96280	0.7
447.21823	0.7
469.20593	1.1
501.23087	27.8
502.23578	1.5
761.39301	100.0
762.39563	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01863	0.7
55.05501	1.2
56.60403	0.3
57.03439	1.9
59.48027	0.3
60.08159	0.4
61.02933	3.8
67.05506	3.3
69.03432	2.5
69.07077	2.3
71.01334	0.5
71.04999	1.0
73.02921	2.3
79.05490	3.4
81.03422	3.9
81.07053	4.2
83.04984	1.4
83.08618	1.0
85.02911	5.6
85.92184	0.3
86.09699	1.6
91.03963	2.0
91.05480	4.5
93.07051	3.2
95.01318	0.4
95.04972	1.7
95.08593	2.0
97.02901	3.9
97.06544	0.9
97.10220	0.4
98.98475	0.5
99.04450	0.4
101.02381	1.2
101.63485	0.3
103.03985	0.4
105.07031	3.4
107.04975	1.3
107.08605	1.2
109.02918	0.7
109.06538	0.7
109.10187	0.7
111.04493	0.4
115.03976	0.4
117.07006	0.3
119.08601	2.6
121.10142	0.5
123.08082	0.6
125.00035	1.4
127.03928	0.9
129.06998	1.1
131.08595	1.8
133.10149	2.5
135.11731	1.1
145.10124	0.9
147.11699	1.6
149.09622	1.0
157.10176	1.3
159.11736	0.9
161.13347	0.4
175.11209	0.9
177.12755	0.4
184.07352	5.7
185.04236	0.4
193.12352	0.9
203.05325	0.5
211.13324	0.5
243.08409	2.4
251.12660	0.9
275.20087	0.6
307.15298	0.5
315.19287	3.2
348.42365	0.4
371.22098	0.9
469.20480	9.8
507.98248	0.4
533.27057	4.7
724.97937	0.4
761.40802	100.0
762.41132	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	762.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.1
56.05034	0.7
58.06628	0.6
60.08163	6.2
67.05492	0.4
69.07079	0.1
69.89129	0.3
69.89542	0.4
71.07372	3.1
73.79836	0.1
79.05479	0.3
81.03419	0.1
81.07048	0.4
86.09704	30.1
87.10026	0.2
91.05486	0.4
93.07054	0.4
95.04962	0.2
95.08605	0.3
97.10143	0.2
98.21237	0.4
98.98464	3.5
98.99111	0.2
104.10745	2.5
105.07043	0.3
107.08579	0.2
109.10160	0.1
119.08595	0.2
125.00005	19.8
143.00986	0.2
155.69110	0.1
173.30663	0.1
184.07338	100.0
185.07765	0.7
222.08990	0.1
433.28000	0.1
597.30353	0.1
674.36780	2.0
727.44080	0.2
728.44904	2.1
729.44354	0.2
744.44110	1.0
762.41217	0.4
763.41235	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	762.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72635	0.1
56.05038	0.8
58.06631	0.5
60.08164	6.6
67.05509	0.3
69.07077	0.2
70.06597	0.3
70.27679	0.6
71.07375	3.8
79.05493	0.5
81.03416	0.2
81.07059	0.2
86.09706	33.6
91.05486	0.4
93.07029	0.3
95.08600	0.4
98.21329	0.2
98.98463	3.7
104.10746	3.1
107.04966	0.1
109.10169	0.2
125.00005	22.2
143.01074	0.2
166.02704	0.2
167.79390	0.1
169.10059	0.2
184.07343	100.0
185.07652	0.6
295.00452	0.1
322.58530	0.1
334.32535	0.1
662.36542	1.8
726.43134	0.3
744.44061	0.9
762.45441	4.1
763.45477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01870	0.8
55.05499	1.8
57.03430	1.6
60.08162	0.6
61.02927	3.4
63.27299	0.4
66.23278	0.4
67.05503	6.0
68.47437	0.3
69.03435	2.2
69.07069	2.2
71.04981	1.2
73.02911	2.9
74.27986	0.3
78.84551	0.4
79.05497	4.6
80.05837	0.4
81.03421	4.5
81.07059	4.9
83.04979	1.2
83.08628	1.5
85.02916	4.2
86.09704	3.3
91.03959	2.2
91.05473	5.2
93.07052	3.6
94.07349	0.5
95.01332	0.7
95.04980	1.6
95.08604	2.6
97.02895	3.6
97.06537	1.4
97.10175	0.4
98.21257	0.4
98.98448	0.8
99.04478	0.6
99.08124	0.4
101.02393	1.7
105.07048	4.2
107.04978	1.2
107.08592	2.3
109.02912	0.6
109.06532	0.4
109.10156	0.9
111.08103	1.0
117.07044	0.8
119.08577	3.0
121.10123	1.7
123.08123	0.7
125.00007	2.2
127.03965	1.0
129.07039	1.1
131.07727	0.4
131.08556	2.3
133.10144	2.4
135.11732	1.5
137.09656	0.4
145.10144	0.9
147.08055	0.4
147.11739	1.3
149.09651	1.4
149.13376	0.6
151.11206	0.4
157.10164	1.1
159.11720	0.6
163.11226	0.7
175.11182	0.9
177.12889	0.6
179.14340	0.6
184.07335	9.1
185.07753	1.0
193.12279	1.0
203.05389	0.5
211.13310	0.5
219.99889	0.4
243.08412	2.8
251.12537	0.8
255.15872	0.6
256.16296	0.4
275.20181	0.9
315.19287	4.1
371.22067	0.9
392.31567	0.4
466.31378	0.5
469.20477	9.6
470.20999	0.5
530.35626	0.6
533.27332	4.7
761.40784	100.0
762.41003	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	760.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01878	4.1
55.05517	9.4
57.03431	5.0
60.08168	4.0
65.03938	1.3
67.05509	32.7
69.03432	4.9
69.07072	12.7
69.26350	9.5
71.04997	3.8
71.07367	2.6
73.27589	0.8
79.05497	18.1
81.03436	5.1
81.06581	1.8
81.07059	35.0
83.04989	6.7
83.08629	3.8
85.02911	2.5
85.06563	3.3
86.09708	21.4
86.10238	1.4
91.05488	26.7
93.07047	21.5
95.04977	4.7
95.08610	9.4
97.02896	2.2
97.06540	5.3
97.10185	2.1
98.21265	4.5
98.98480	2.7
99.04486	1.4
99.08083	1.3
104.10779	1.9
105.07038	22.6
107.04974	3.1
107.08602	25.3
109.06529	3.8
109.10162	36.4
109.41586	0.9
111.08108	1.9
113.06000	1.9
117.07023	4.8
119.08588	8.1
121.06564	1.8
121.10146	5.0
123.08089	2.3
123.11723	6.3
125.00016	16.4
125.09640	1.5
127.03918	1.1
127.07582	2.1
129.07080	1.1
131.08554	5.9
133.10136	44.6
135.07988	1.3
135.11711	3.6
137.09698	0.9
143.08563	1.9
145.10144	3.7
147.11697	3.5
148.11974	0.8
149.09666	2.9
149.13283	4.4
151.11188	21.4
157.10158	1.5
159.11707	5.9
161.09659	1.4
161.13348	1.0
163.11209	1.6
169.12263	4.4
170.52176	0.9
173.04536	1.5
177.12749	1.7
179.10672	1.2
184.07358	77.9
195.13834	1.6
209.61928	1.0
215.12851	2.1
253.14363	100.0
254.14725	2.0
255.16014	2.8
257.19028	2.7
269.17456	9.8
271.15421	23.4
275.20099	10.4
293.21057	1.4
349.24045	4.7
367.24768	1.7
451.26855	12.4
465.28503	47.7
466.28851	1.7
527.33685	1.8
545.34692	10.6
563.35712	2.9
609.32269	1.7
710.43884	2.1
760.42188	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	760.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01879	14.6
55.05513	27.0
56.34141	1.6
56.51436	1.5
57.03441	17.6
57.07067	2.6
60.08170	6.9
61.02918	4.6
65.03928	5.7
67.05505	100.0
69.03414	6.7
69.03770	1.5
69.07066	49.3
71.01347	4.2
71.04995	8.2
71.07363	3.3
71.57780	1.9
74.30477	1.3
75.10193	1.3
79.05493	76.7
81.03422	12.6
81.07057	54.9
83.04982	13.8
83.08611	9.4
85.02888	5.1
85.06536	4.3
86.09705	32.5
91.03960	1.7
91.05479	52.5
92.05800	1.5
93.07043	80.4
94.07336	2.1
95.04970	17.3
95.08608	41.3
97.02877	3.4
97.06538	26.8
97.10160	13.2
98.21174	1.9
99.04439	1.6
99.08068	3.3
103.05429	1.8
104.10707	2.8
105.04495	2.6
105.06372	2.7
105.07026	33.3
107.04984	9.6
107.08591	46.7
109.02827	2.6
109.06508	6.3
109.10159	29.7
111.08099	8.7
117.07011	15.2
119.07775	2.4
119.08582	27.1
121.06487	2.8
121.10132	14.1
123.08082	5.3
123.11736	3.4
125.00014	17.7
125.09627	7.3
127.03902	1.7
129.06984	5.3
131.08566	14.2
133.10129	24.1
133.87122	1.7
135.08052	5.1
135.11688	55.8
137.09613	17.6
141.06992	2.3
143.08597	3.6
145.10127	17.7
146.10425	1.7
147.08046	2.5
147.11638	9.5
149.09627	16.7
151.11157	3.6
153.12737	2.2
157.10130	4.7
159.11736	9.4
161.09628	2.8
161.13255	5.5
163.11198	17.7
165.09094	2.1
169.10144	2.3
171.11649	2.6
173.11708	5.2
173.13231	3.6
175.11131	2.0
177.12758	2.7
179.14281	4.9
181.12271	10.5
183.11703	2.1
184.07343	99.8
185.07727	2.5
185.13255	1.6
187.11150	2.0
189.11147	1.9
189.12735	1.8
195.13838	2.2
199.13222	2.7
199.75610	1.8
223.13274	2.0
227.12753	4.4
229.14342	6.0
229.19514	2.3
239.17862	3.6
253.14227	2.2
255.15897	59.9
257.18997	9.1
273.18561	2.0
275.20071	31.5
291.19519	7.1
293.21027	4.5
331.22675	2.3
349.19720	2.3
349.23746	29.6
349.28040	2.3
351.21722	9.4
365.23181	2.8
409.25818	26.7
425.25555	1.6
433.29599	9.4
449.28687	3.6
511.34259	1.7
529.35205	52.3
543.12219	1.6
545.37189	2.6
547.36108	4.0
672.33795	2.3
726.43457	2.6
760.42609	2.0
761.40350	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	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01865	6.8
55.05301	2.0
55.05516	20.3
57.03430	14.0
57.07069	3.3
60.08177	4.7
61.02932	5.1
61.74138	2.3
62.25977	2.4
65.03940	4.5
67.05508	100.0
69.03416	7.2
69.07069	30.7
70.18043	11.7
70.18398	4.1
71.04995	29.9
71.08624	3.9
73.02917	3.0
78.46434	2.4
79.05495	55.5
81.03408	8.6
81.07056	67.0
82.07372	3.6
83.04980	9.9
83.08630	15.6
85.02895	10.1
85.06550	6.7
86.09726	14.9
91.03952	2.9
91.05479	54.6
93.07047	77.6
93.73360	2.5
95.04976	13.2
95.08614	43.0
97.02907	5.2
97.06527	13.4
97.10172	7.7
98.20909	5.0
98.21420	2.6
98.98457	2.8
99.08100	5.5
101.91076	2.5
105.07034	46.5
107.04959	3.3
107.08600	34.6
109.06522	4.8
109.10149	41.1
111.08078	7.3
115.05459	2.3
117.07033	17.4
119.08589	37.6
121.10158	23.0
123.11710	3.9
125.00016	7.2
125.09631	3.0
129.07028	9.4
131.08578	21.4
133.10126	28.6
134.10510	2.4
135.08032	3.8
135.11708	28.1
137.09634	9.3
139.11160	5.1
143.08575	9.9
145.10147	16.4
147.11699	19.0
149.13251	14.3
151.11200	7.0
155.08612	5.6
157.10136	9.0
159.11711	19.8
161.09682	3.5
161.13243	14.5
163.11185	8.6
171.11728	7.9
173.11902	5.2
173.13277	8.6
175.14821	5.2
177.12761	3.9
179.14250	3.4
181.12364	2.3
183.11729	3.0
184.07350	54.2
185.13390	3.4
187.13290	4.1
187.14839	4.3
189.85507	2.2
195.13866	5.1
197.13185	3.9
197.71315	2.5
199.14832	3.5
229.14365	4.6
239.18010	2.9
241.19543	6.3
243.15956	6.0
259.20532	24.6
269.17456	30.2
277.21408	5.3
285.16986	3.0
287.18448	16.4
288.27332	2.8
315.19431	2.7
315.23257	3.7
333.24182	21.4
351.25357	9.7
395.29504	4.6
421.31165	5.1
444.49054	2.8
457.33203	3.0
463.30493	46.8
467.18741	3.7
468.19159	4.3
487.34265	51.6
488.34360	4.6
513.35657	27.9
514.36310	3.2
519.36810	5.1
531.36456	4.7
534.28845	2.6
545.38336	29.6
760.39441	95.1
761.40234	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	760.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01885	6.4
55.05515	12.0
57.03441	6.5
57.11969	1.0
60.08159	2.7
61.02929	1.3
65.03933	2.5
67.05509	39.5
69.03437	6.5
69.06711	1.4
69.07072	16.7
71.01335	0.9
71.05003	4.4
71.07371	1.5
79.05056	1.6
79.05499	24.4
81.03427	7.6
81.07060	41.2
83.04991	9.7
83.08636	6.1
85.02905	3.4
85.06538	5.1
86.09706	17.3
86.73811	0.9
91.05486	37.4
93.07050	24.6
95.04975	7.5
95.08610	13.7
95.98887	1.0
96.39045	0.8
97.02899	1.6
97.06558	7.5
97.10180	2.5
98.98442	1.2
99.04446	2.3
99.08072	2.3
103.76175	0.9
104.10754	2.1
105.07036	30.7
107.04967	3.2
107.08598	28.6
107.59048	0.9
109.02900	1.5
109.06532	6.8
109.10162	43.3
111.08086	3.3
113.05997	1.6
117.07047	5.1
119.08576	8.3
121.06506	2.7
121.10143	4.1
123.08048	2.2
123.11720	7.9
125.00010	10.5
125.09623	2.5
127.03930	2.2
127.07545	2.5
129.07030	2.0
131.08589	7.2
133.10138	54.8
134.10478	1.7
135.08031	1.9
135.11699	6.4
137.09578	2.1
143.08565	3.0
145.10144	6.9
147.11685	3.7
148.27373	0.9
149.09648	7.1
149.13268	3.3
151.11179	22.4
155.08572	1.1
156.09404	1.0
157.10156	2.0
159.11717	4.4
161.09604	1.7
161.13301	1.9
163.11194	4.0
169.12247	6.4
173.13304	2.1
177.12776	1.7
179.10638	2.4
179.14291	1.4
183.11749	1.4
184.07347	53.3
195.13847	1.7
215.12814	3.5
227.12776	2.1
239.17937	2.3
253.14365	100.0
254.14633	2.9
255.15970	4.7
257.19019	4.3
269.17563	5.9
271.15411	24.8
273.18750	1.1
275.20053	14.3
291.19559	2.0
293.21063	2.2
349.23831	8.7
451.26901	11.4
465.28522	37.2
505.30914	1.0
527.33990	2.3
545.34753	15.8
563.35504	6.8
609.32196	1.3
742.42773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.05514	14.2
57.03442	7.4
57.07061	3.5
61.02913	3.9
62.29896	0.9
65.03930	4.8
67.05505	64.7
69.03426	1.9
69.07069	11.7
71.04595	1.2
71.04992	20.2
79.05493	39.9
79.05956	2.0
81.03402	2.3
81.07059	100.0
82.07384	1.4
83.04975	3.7
83.08624	9.4
85.02892	2.8
85.06540	7.2
91.05485	27.1
93.06461	2.4
93.07045	43.6
93.09444	1.0
95.04967	4.4
95.08607	29.5
97.06528	5.7
97.10162	2.4
105.07036	16.1
107.08591	24.6
107.09287	1.9
109.06544	2.1
109.10166	14.0
111.08104	2.0
117.07007	5.0
119.08579	9.6
121.10136	14.2
123.08057	1.2
123.11716	14.9
131.08566	8.7
133.09221	2.0
133.10127	19.0
135.11681	11.6
138.90034	1.1
143.08498	1.7
145.10138	4.8
147.11679	4.1
149.13239	6.5
151.11153	7.2
159.11702	6.1
161.13263	3.6
165.12624	1.5
171.11710	1.4
173.13290	2.2
175.14760	1.3
176.12239	1.2
177.12688	1.4
181.33797	1.2
183.13858	3.3
184.07332	2.1
185.13272	1.4
187.13277	4.2
187.14771	1.6
195.13818	2.5
198.92355	1.0
201.14801	1.7
201.43245	1.0
203.41222	1.0
227.16399	2.5
243.21155	1.1
257.17419	2.1
261.22086	2.4
269.17404	6.4
301.20056	22.5
317.24710	1.8
335.25815	25.4
393.31073	1.4
411.32782	1.4
429.33765	1.3
485.36157	4.2
503.37292	96.4
504.37543	4.7
517.38855	5.0
529.38867	15.6
530.39539	1.8
561.41486	84.7
562.41626	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
53.72482	0.5
55.01888	0.7
55.05506	2.0
57.03445	3.0
57.07071	0.5
60.08168	0.6
61.02928	3.9
63.22966	0.5
67.05506	8.6
69.03435	3.0
69.07071	2.4
69.74858	2.8
71.04999	0.9
73.02918	3.6
79.05492	10.7
80.05851	0.5
81.03419	4.7
81.07062	10.2
82.07375	0.7
83.04978	1.6
83.08628	2.2
85.02911	4.6
86.09714	2.1
91.03977	2.7
91.05477	8.1
92.05833	0.8
93.07055	7.9
93.45192	0.5
94.07362	1.0
95.04973	2.8
95.08604	5.7
96.08964	0.5
97.02895	4.0
97.06526	1.1
98.21107	1.8
99.04445	1.0
101.02371	1.5
103.03962	0.6
105.07036	6.3
106.07415	0.7
107.04942	0.8
107.08608	4.7
107.64680	0.5
109.02892	0.7
109.06565	1.0
109.10172	2.4
111.04433	0.5
111.08090	1.0
117.07047	1.6
119.08559	3.9
121.10127	3.3
123.08073	1.0
125.00040	1.2
127.03953	1.4
129.07042	1.6
129.13194	0.5
131.08598	1.7
133.10141	2.9
135.11742	2.2
143.08577	0.9
145.10162	1.8
147.11681	3.1
149.09677	0.6
149.13278	1.9
151.11212	0.8
157.10115	0.9
159.11694	1.6
161.13341	0.8
171.11696	1.3
173.13263	0.6
184.07336	8.5
185.04285	1.4
193.12286	0.6
243.08354	2.7
244.60376	0.5
247.12997	1.0
259.20557	0.7
261.22226	0.8
267.15848	2.5
269.17590	1.4
270.18057	0.8
281.17667	0.5
335.25812	2.4
336.26312	0.7
451.52191	0.6
458.22110	0.5
465.20905	9.2
465.26767	0.9
466.21384	0.6
495.22241	0.7
527.37500	1.9
535.28711	6.1
537.23157	1.6
544.36908	1.1
545.38318	1.4
759.42877	100.0
760.43164	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
54.38057	1.1
55.01873	11.8
55.05256	2.2
55.05512	34.3
57.03439	24.1
57.07071	3.5
59.04995	1.2
61.02926	6.2
65.03934	3.4
67.05506	86.1
68.05843	1.3
69.03425	9.1
69.07069	22.2
69.18489	1.1
71.04987	6.6
71.58069	1.6
73.02927	6.8
77.03933	1.5
79.05494	68.2
80.06274	1.5
81.03424	16.6
81.07058	72.3
82.04198	3.3
83.04979	17.5
83.08612	15.6
85.02896	7.6
85.06546	3.6
89.01301	1.0
91.03979	1.8
91.05478	42.2
93.07046	65.7
95.04968	16.9
95.08608	52.7
95.09228	1.9
97.02914	7.2
97.06544	10.9
97.10182	16.2
98.07306	5.9
99.08090	2.3
101.05998	1.7
104.06283	1.2
105.04500	1.8
105.06308	1.2
105.07027	34.0
107.04971	4.4
107.08599	36.9
109.02913	1.5
109.06517	5.3
109.10151	25.0
111.04450	2.1
111.08071	4.8
115.05437	1.9
116.04697	11.7
117.07034	10.7
119.08589	25.2
119.09440	1.5
121.06527	3.3
121.10143	27.6
122.04338	1.1
122.10973	1.3
123.08060	6.4
123.11688	6.3
125.09640	14.8
127.11192	2.0
129.05482	30.1
129.06953	6.9
130.07831	1.3
131.08578	18.8
133.10138	19.8
135.08069	2.3
135.11697	18.4
137.09618	3.9
137.13309	1.2
139.11154	1.2
142.07779	1.6
143.07028	7.5
143.08566	3.2
145.06451	1.4
145.10132	13.4
147.08006	2.3
147.11681	13.8
149.09686	3.4
149.13289	8.5
153.09117	1.9
153.12808	1.4
155.08543	1.9
157.08624	13.5
157.10141	5.7
159.11710	10.1
161.13248	6.6
163.11191	4.5
163.14870	3.1
165.12747	2.1
171.06622	2.0
171.10156	3.3
171.11646	2.3
173.09654	1.5
173.11845	2.2
173.13213	9.7
175.11177	3.2
175.14859	1.8
184.07361	4.4
185.11746	1.6
185.13271	1.8
187.14851	3.2
189.11320	7.2
189.12683	1.4
191.10818	1.2
193.12251	11.2
195.13811	1.4
199.13277	4.2
200.14046	1.4
209.11743	3.9
211.13246	6.4
227.12752	11.6
229.14433	2.4
243.21111	4.5
255.15804	1.8
259.20663	3.6
261.22110	13.1
267.15927	6.7
267.50089	1.2
277.21658	4.2
283.15463	4.5
285.17020	1.7
301.16458	70.1
302.16766	1.6
317.24756	2.9
333.24478	1.7
335.25790	100.0
336.26157	4.2
351.25146	1.6
435.32324	1.5
451.18863	1.2
476.62537	1.2
527.37189	5.0
542.73950	1.2
543.36670	4.9
545.38190	1.3
561.37854	90.9
562.38245	4.6
759.39362	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.3
55.01855	8.1
55.05511	35.4
55.08569	3.1
57.03452	23.0
60.08159	6.1
60.42799	2.8
61.02904	3.7
62.60371	2.8
65.03931	5.2
67.05508	80.0
68.20758	2.8
69.03426	6.8
69.07069	31.4
70.45888	8.9
71.04992	7.2
71.07375	3.4
79.05500	84.1
81.02972	4.9
81.03419	67.2
81.07056	90.0
83.04973	20.8
83.08617	42.4
85.02916	31.0
85.06548	7.0
86.09702	27.7
91.05486	96.2
93.07045	85.9
95.04973	37.0
95.08607	45.7
97.02898	6.0
97.06519	11.6
97.10172	16.5
98.20980	6.6
99.08079	6.1
104.10744	3.3
105.07035	88.5
107.04984	14.3
107.08600	51.6
109.06511	6.3
109.10156	17.7
111.04391	3.1
111.08072	10.1
115.05456	3.2
117.07038	27.6
119.07790	4.7
119.08582	70.0
121.06519	4.4
121.10136	31.9
123.08022	7.6
123.11706	5.5
125.00015	21.4
125.09635	9.0
129.07022	23.2
131.08578	34.5
133.10118	50.2
133.77846	3.6
135.11705	20.2
142.07739	6.2
143.08575	11.3
145.10143	28.5
147.08127	4.4
147.11687	53.8
149.09616	15.9
149.13246	16.4
151.11163	4.2
155.08527	5.6
157.10126	26.9
159.11713	25.1
161.13223	21.8
163.11102	4.8
163.14832	5.4
163.73381	3.6
169.10136	4.8
171.11729	15.3
173.13246	13.7
175.11197	13.5
175.14839	13.3
184.07339	99.5
184.08969	5.0
185.13261	9.2
187.14821	3.5
189.11191	3.6
193.12260	48.8
195.13771	5.2
199.14818	6.7
211.13297	56.4
211.15254	4.9
227.12737	9.1
231.20966	4.3
241.19518	28.8
249.75494	2.9
257.19101	5.0
259.20581	64.3
261.22205	3.4
266.77994	3.3
267.15875	22.7
269.17404	27.2
275.20129	14.1
283.15366	5.0
285.16980	72.1
299.23688	5.1
315.23071	9.2
331.22507	3.7
333.24191	60.2
349.23755	11.3
433.31161	10.2
435.27371	4.6
439.26865	8.3
451.31897	9.1
469.33081	10.0
479.01135	3.1
515.37177	6.6
525.35730	31.3
543.36853	100.0
543.45337	4.8
544.37012	6.7
561.37872	5.3
758.41730	7.3
759.38165	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01866	8.3
55.05266	2.0
55.05513	28.7
57.03445	21.1
59.90723	1.6
61.02933	10.6
65.03940	4.3
67.05508	86.6
69.03423	12.8
69.07074	42.0
69.53494	3.3
69.53915	11.4
70.08188	1.6
70.71657	1.7
71.04993	7.2
71.08634	2.8
73.02909	7.7
76.21649	1.7
79.05495	77.0
80.05843	3.7
81.03416	18.1
81.07061	100.0
82.07439	1.8
83.04986	14.7
83.08620	22.5
84.05785	2.6
85.02899	9.5
85.06544	4.6
86.09691	3.6
91.03981	4.5
91.05485	65.3
92.06277	1.9
93.07050	82.7
94.04182	3.5
94.13550	1.9
95.04972	20.4
95.08041	3.7
95.08611	42.3
97.02884	10.5
97.06551	14.6
97.10190	2.2
98.07308	1.9
99.04478	3.2
99.08112	4.8
103.03912	2.4
103.05472	1.7
105.04547	2.8
105.07038	50.3
107.04929	10.8
107.08600	38.7
107.09298	3.4
109.06522	8.3
109.10168	13.6
111.04446	2.5
111.08096	7.8
113.05996	1.9
115.05479	1.8
116.04722	4.1
117.07018	23.7
119.08587	28.4
121.06515	4.6
121.10148	18.4
123.08087	9.7
123.11720	8.5
125.00005	2.7
125.09626	3.4
127.03928	5.2
129.05519	9.5
129.06993	11.7
130.07965	1.8
131.08586	24.3
133.10132	30.4
135.08076	5.1
135.11722	18.7
137.09648	3.2
141.07025	2.7
143.07063	3.1
143.08575	6.9
145.10141	20.8
147.08052	4.4
147.11722	18.7
149.09625	10.1
149.13281	20.1
151.11115	3.1
153.19522	1.6
155.08556	2.5
157.10172	6.6
159.11699	22.3
161.09685	2.1
161.13300	8.2
163.11209	6.8
165.12823	2.3
167.14400	2.0
169.10190	2.4
171.11668	10.3
173.09650	2.8
173.13272	5.7
175.14758	2.2
177.12744	6.0
179.14381	3.5
181.10155	2.7
183.11731	3.6
184.07375	8.2
185.11732	4.4
185.13211	4.0
187.14864	4.3
189.12744	4.0
195.13834	15.1
197.13315	2.4
207.13843	6.1
209.11771	2.3
213.14754	3.3
227.12695	2.5
239.18115	2.1
241.18129	2.0
243.08499	3.5
247.20522	2.1
253.18153	2.3
257.19083	3.6
259.20715	6.6
267.15958	3.8
269.17493	53.8
275.20059	15.7
280.16776	3.0
281.17453	14.4
293.17453	3.4
311.00208	2.2
329.24860	2.4
333.24319	5.6
335.18524	2.0
335.25809	4.9
349.23877	10.7
405.31781	3.4
418.31247	2.4
423.27350	2.3
423.32300	1.9
441.33694	2.9
445.29517	2.0
446.30386	12.0
461.29068	2.1
463.30600	38.7
464.31335	3.2
465.21103	4.1
466.21506	5.0
475.30423	10.4
499.73465	1.9
515.37524	8.2
527.37671	4.5
543.36896	10.8
545.38208	2.7
561.38074	3.8
597.39520	2.0
758.41620	90.6
759.41986	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01870	13.2
55.05511	27.8
57.03181	1.7
57.03440	22.7
57.07070	4.0
59.05003	1.1
61.02928	5.9
61.71827	1.0
62.07487	1.2
65.03940	3.1
67.05505	65.2
69.03432	6.7
69.07071	18.5
69.70812	6.4
71.04972	3.6
71.08609	1.5
73.02911	4.9
79.05494	47.4
80.06261	2.7
81.03416	13.5
81.07058	60.3
82.03771	1.1
82.04191	4.9
83.04984	14.0
83.08629	11.8
85.02914	6.5
85.06546	2.4
87.04452	1.8
91.03962	2.1
91.05481	37.0
93.07046	48.2
95.04966	15.8
95.08610	39.2
95.09231	1.5
97.02904	4.7
97.06512	9.4
97.10170	12.8
98.07323	4.7
99.04488	1.4
99.08089	2.6
101.06010	1.6
105.04491	1.1
105.07037	22.0
107.04948	4.8
107.08595	26.5
109.06530	4.0
109.10150	17.8
111.04485	1.7
111.08092	4.6
112.16123	1.0
116.04699	14.2
117.07018	10.3
119.08593	19.2
121.06478	2.1
121.10142	18.9
123.08073	4.9
123.11702	6.6
124.99956	1.4
125.09644	13.6
127.03937	1.2
127.11208	1.1
129.05484	35.9
129.06941	5.7
130.07771	1.1
131.08588	13.9
133.06483	1.7
133.10120	16.4
135.08098	2.1
135.11705	13.3
137.09631	3.6
137.13249	1.4
143.07040	8.6
143.08557	2.1
145.10130	10.0
147.08064	1.4
147.11703	9.7
149.09630	3.7
149.13268	5.8
151.11224	1.9
153.09134	1.8
157.08604	15.1
157.10098	6.1
158.05762	1.4
159.11694	6.9
161.13300	4.2
163.11201	3.9
163.14806	2.9
164.11903	1.7
165.12816	1.4
171.10175	6.0
171.11591	2.1
173.11862	1.6
173.13263	4.9
175.11221	4.8
175.14784	1.7
184.07341	3.8
185.11729	1.7
187.14763	1.4
189.11278	6.9
189.12762	1.5
193.12247	8.6
199.13257	3.4
200.14026	3.9
202.47990	1.0
209.11700	1.4
211.13214	6.9
211.14943	0.9
227.12778	10.2
229.14336	1.4
243.21089	3.6
255.15973	2.0
259.20660	1.8
261.22171	10.8
267.15912	3.5
268.16263	1.3
277.21707	3.5
283.15488	2.3
285.16974	1.9
301.16467	100.0
302.16681	1.4
315.23294	1.7
317.24835	2.6
333.24472	1.6
335.25806	70.0
336.25995	2.8
337.27020	1.1
351.25253	1.8
527.37402	5.4
529.38031	1.2
543.36609	1.8
545.38214	1.3
561.37823	43.8
562.37897	1.8
579.38770	1.1
758.41296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01877	6.9
55.05512	19.6
57.03444	16.5
57.07055	2.4
65.03934	3.4
67.05508	82.1
67.36128	1.4
69.03424	6.7
69.06726	2.9
69.07072	36.4
70.83148	1.8
70.83495	3.0
71.01360	1.7
71.04984	6.3
73.02888	2.1
77.03913	1.6
79.05495	58.5
79.66993	1.6
81.03428	10.4
81.07059	97.4
83.04975	10.9
83.08630	19.0
85.02905	7.3
85.06527	5.0
85.45977	1.3
86.09695	4.4
91.05479	43.6
93.07047	79.9
95.04964	13.3
95.08602	33.1
97.02870	4.2
97.06528	20.0
97.10156	5.5
98.21181	2.0
99.04469	2.9
99.08086	5.5
100.58701	1.4
103.05417	1.8
105.07030	26.7
107.04958	7.3
107.08599	44.7
109.02862	3.2
109.06510	5.5
109.10161	7.0
111.08093	7.3
113.09634	1.5
117.07022	14.6
119.08598	16.1
121.06503	3.5
121.10150	28.5
123.08090	3.0
123.11686	3.4
124.99994	3.3
125.09643	3.2
127.03914	2.1
129.06970	3.9
130.07774	1.5
131.08565	19.5
133.10146	21.7
135.08057	4.7
135.11694	14.8
137.09624	2.2
139.11224	1.6
143.08572	4.0
145.10132	15.7
147.11679	10.5
149.09608	11.5
149.13263	34.4
151.11159	3.3
157.10127	3.8
159.11700	21.6
160.62372	1.4
161.13268	3.7
163.11143	7.1
165.12773	1.9
171.11671	2.5
173.04482	2.0
173.13246	3.7
176.11488	1.4
177.12764	8.6
179.14262	3.2
184.07353	16.9
187.11241	2.1
193.12277	1.5
193.32950	1.3
195.13791	12.7
197.13257	2.2
211.13292	3.3
213.14900	2.9
227.12769	4.0
229.19460	1.7
238.82034	1.3
239.17993	3.0
255.15834	6.6
257.18948	9.2
259.20508	2.2
267.15778	3.2
269.17477	90.2
270.17871	2.1
275.20074	24.9
285.16986	2.6
293.20798	2.6
331.22757	2.4
349.23746	16.2
409.08008	1.6
413.21417	2.2
423.27246	2.1
439.26709	2.5
449.29001	28.8
463.30576	100.0
464.30856	4.6
503.33481	3.0
515.37427	1.6
525.35822	2.7
543.36853	36.0
557.62646	2.0
561.37860	10.9
607.34546	3.0
698.58722	1.5
740.16608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01860	5.4
55.05510	20.9
57.03443	12.3
57.07043	1.4
61.02915	2.2
62.02523	1.3
65.03943	2.0
66.25276	1.4
67.05505	67.0
69.03421	3.9
69.07068	26.5
69.84467	8.1
71.05011	7.0
73.02920	3.3
79.05493	51.8
81.03417	9.2
81.07057	82.6
83.04990	10.4
83.08614	18.3
85.02896	5.6
85.06539	5.3
86.09743	1.4
91.05480	39.0
93.07049	63.2
95.04984	8.9
95.08607	28.4
97.02877	2.6
97.06522	14.6
97.10185	3.0
98.20840	2.8
98.21384	2.3
99.08092	4.3
105.07028	23.2
107.04979	4.2
107.08606	39.2
109.06506	5.7
109.10166	10.9
111.08089	6.0
117.07018	16.2
119.08578	14.6
121.06522	4.0
121.10163	18.9
123.08099	2.4
123.11703	5.3
125.09646	1.8
129.06995	2.9
131.08574	15.9
133.09209	2.5
133.10124	22.5
135.08061	3.0
135.11690	14.2
143.08554	3.3
145.10130	8.3
147.11691	6.1
149.09673	8.5
149.13252	23.6
151.11176	4.5
157.10146	3.0
159.11707	16.2
161.13315	2.3
163.11188	4.7
169.10182	1.8
173.13283	1.8
177.12753	6.2
179.14302	4.4
184.07349	5.4
185.13161	2.1
195.13786	12.1
213.14781	2.4
227.12808	3.9
247.20680	2.1
253.14183	9.2
255.15948	5.9
257.19025	3.6
267.15906	2.7
269.17477	65.1
270.17712	1.7
273.18686	2.7
275.20068	16.2
285.17065	1.7
333.24622	2.1
349.23727	17.5
395.20410	1.7
445.29416	2.7
449.23511	1.8
449.29129	24.8
463.30530	100.0
464.30737	3.3
535.20129	1.7
543.36798	25.8
561.38220	9.5
607.34607	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	757.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01868	1.1
55.05511	1.4
57.03441	1.6
61.02925	3.3
65.03931	0.6
67.05510	6.0
69.03429	2.1
69.07072	3.0
69.81517	1.1
69.81924	1.3
71.04974	0.6
73.02918	2.5
79.05502	5.8
81.03414	2.6
81.07058	6.3
83.04976	1.2
83.08643	0.6
85.02905	3.1
91.03957	2.0
91.05480	5.9
93.07043	5.5
95.01333	0.6
95.04978	1.7
95.08617	4.0
97.02901	3.4
97.06549	1.3
98.21063	1.3
101.02398	1.3
102.42547	0.4
105.07024	5.5
107.04972	2.0
107.08587	2.4
109.02898	0.7
109.06519	0.8
109.10161	1.3
117.07043	1.6
119.08583	4.0
121.10133	1.0
123.08096	0.6
127.03927	0.7
127.89969	0.4
128.88669	0.5
129.07022	1.1
131.08586	1.3
133.10106	2.3
135.11665	0.6
143.08557	1.2
145.10135	1.4
147.11694	2.4
149.09686	0.8
159.11690	1.2
161.13309	0.9
171.11778	1.6
173.13322	0.6
184.07405	0.8
187.11223	0.7
203.05322	0.8
207.13986	0.5
228.25339	0.5
243.08450	1.9
247.13110	1.2
269.17511	0.8
275.20139	0.7
281.17685	0.4
282.01093	0.5
315.19348	3.4
335.25693	0.7
371.22012	1.2
465.20969	8.9
533.27264	6.1
534.27869	0.6
757.41315	100.0
758.41748	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	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
53.87720	1.0
54.22349	1.1
55.01873	13.6
55.05260	1.3
55.05513	19.1
57.03440	6.9
65.03935	2.5
67.05167	2.2
67.05509	33.0
68.11003	1.1
69.03428	2.8
69.06719	1.6
69.07071	27.7
71.04989	2.5
71.37282	1.4
71.37612	2.1
73.02911	1.5
76.03687	1.0
79.05053	2.2
79.05495	32.1
81.03416	27.8
81.06577	2.0
81.07060	49.3
83.04992	8.7
83.08625	13.4
85.02914	11.1
85.06561	2.8
91.05485	55.1
93.07046	27.1
93.94756	1.1
95.01331	8.6
95.04968	17.6
95.08044	2.0
95.08611	28.1
97.02877	2.0
97.06538	22.1
97.10191	2.8
97.40417	1.1
98.39805	1.2
99.08075	1.2
103.05466	2.5
105.07036	70.5
107.04961	15.0
107.08600	13.3
109.06525	5.1
109.10149	7.2
111.04424	2.1
111.08073	5.2
115.05498	1.7
117.07023	12.0
119.08591	41.1
121.06539	3.4
121.10166	10.0
123.04402	1.6
123.08078	2.8
123.11726	3.0
125.09599	2.2
129.06996	6.1
131.08574	23.1
133.06526	1.9
133.10133	40.0
135.08064	4.0
135.11696	4.9
137.09615	3.7
141.06949	1.8
142.07811	2.0
143.08569	3.8
145.06468	2.3
145.10135	17.2
147.08081	2.1
147.10603	2.1
147.11682	18.6
149.09621	7.7
149.13268	3.7
155.08539	2.6
157.10138	8.2
159.11667	6.6
161.13245	4.2
163.11153	3.5
165.09113	1.6
165.12788	1.4
171.11687	2.6
173.13277	4.1
175.11206	3.9
177.12770	3.7
179.14326	12.2
185.13167	1.2
187.11200	1.9
193.12248	13.6
211.13303	15.4
219.17320	1.3
239.17914	2.7
241.14369	1.6
257.18988	5.2
267.15909	16.6
275.20062	71.6
276.20596	2.5
279.15952	2.7
285.16986	26.5
286.17310	1.6
288.54068	1.3
293.21066	4.9
323.90991	1.2
349.23743	38.9
519.12885	1.2
521.43878	1.3
541.35284	52.9
542.35162	2.3
559.36334	100.0
560.36932	5.7
577.37341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01877	13.7
55.05515	21.7
57.03448	12.1
61.02911	1.8
64.20240	1.4
65.03928	3.6
67.05167	3.2
67.05506	43.9
69.03413	4.2
69.07071	24.9
70.70274	4.3
71.04990	4.4
73.06570	2.7
75.50958	1.4
79.05056	2.6
79.05493	40.9
81.03421	45.3
81.07059	55.9
83.04987	14.9
83.08617	18.9
83.15228	1.4
85.02911	17.3
85.06509	2.0
91.05482	65.1
93.07049	39.0
95.01320	6.5
95.04973	24.9
95.08612	30.5
97.02901	2.9
97.06542	26.6
97.10169	3.3
99.08118	1.9
103.05482	1.9
105.07035	75.3
106.07359	1.5
107.04955	19.9
107.08596	18.2
109.06510	6.8
109.10157	9.4
111.04408	1.9
111.08073	6.0
117.07002	10.5
119.08578	41.5
121.06535	3.5
121.10139	11.2
122.59779	1.5
123.04397	2.1
123.08057	4.6
123.11689	3.0
129.07019	10.1
131.08569	26.4
133.06499	3.5
133.10126	48.0
134.88327	1.5
135.08063	3.0
135.11710	6.0
137.09650	3.2
143.08545	4.1
145.06512	2.4
145.10118	13.2
147.08066	3.2
147.11684	23.4
149.09624	12.5
149.13274	2.3
149.45056	1.7
153.09111	1.5
155.08536	2.0
157.10146	11.5
159.11690	10.7
161.09525	1.9
161.13278	5.3
163.11218	5.1
165.12756	1.7
175.11160	11.2
177.12770	3.8
179.14317	11.0
183.70129	1.7
184.07407	2.6
187.11269	3.3
193.12236	23.5
197.13170	2.7
211.13306	26.5
257.19058	5.7
267.15921	36.1
268.16202	2.9
275.20068	77.3
279.16086	2.7
285.16974	79.6
286.17108	2.0
293.21185	2.6
299.47940	1.4
307.83124	1.5
315.65091	1.6
349.23752	40.2
350.23895	2.6
541.35236	62.3
542.35358	2.5
549.96692	1.6
559.36310	100.0
560.36572	5.6
577.37054	2.0
774.47119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
53.60132	1.0
55.01867	8.1
55.05264	1.7
55.05511	23.5
57.03436	11.5
57.07069	1.8
59.04984	1.0
61.02932	2.1
62.37571	1.0
65.03927	3.3
67.05503	65.5
69.03426	6.3
69.07069	30.3
71.04993	6.2
71.57003	1.2
79.05493	45.6
79.05960	2.3
81.03415	8.9
81.07055	82.7
83.04980	10.4
83.08623	15.8
85.02892	3.7
85.06538	6.5
86.09682	3.0
89.73744	1.2
91.05481	48.8
93.07045	57.9
95.04977	12.7
95.08040	1.9
95.08607	23.8
97.02885	6.4
97.06531	10.6
97.10178	6.4
99.04441	1.6
99.08092	1.7
103.05401	1.6
105.04453	1.6
105.07032	31.8
107.04939	9.6
107.08594	43.5
107.86153	1.0
109.06531	5.3
109.10156	26.0
111.04439	2.1
111.08081	8.3
113.06032	1.8
115.05453	2.2
117.07010	13.2
119.04913	1.5
119.08570	13.8
121.06506	8.6
121.10155	16.3
123.04394	1.5
123.08057	4.0
123.11689	3.7
124.99986	1.2
125.09628	4.3
129.07004	3.7
131.08575	18.5
133.06549	5.5
133.10130	38.8
135.08051	6.2
135.11711	11.2
137.09604	1.9
143.08543	3.6
145.10109	6.2
147.08041	4.0
147.11667	4.6
149.09630	5.6
149.13251	16.5
151.10075	1.8
151.11182	14.5
157.10132	3.1
159.08015	1.5
159.11690	10.4
161.09593	4.7
163.11153	3.4
163.27600	1.0
165.09061	1.6
169.10191	1.3
169.12247	3.3
171.11708	3.0
175.11160	4.6
177.09117	2.0
177.12753	3.4
181.12285	1.2
184.07356	9.1
185.13258	1.9
189.11150	1.6
189.12708	1.2
195.13795	9.4
207.13785	1.1
215.12819	2.2
223.13354	8.7
224.13878	1.1
227.12762	2.4
227.17845	1.8
230.55251	1.2
245.18987	5.2
249.14839	2.3
251.12741	2.9
253.14357	36.8
254.14833	1.1
255.17480	3.0
257.10385	1.2
263.20068	2.0
267.15811	1.6
269.17468	59.4
270.17911	1.2
273.18481	27.0
275.20053	1.5
289.21515	1.1
291.19534	55.5
292.19733	1.4
309.20309	2.3
347.22192	6.1
365.23245	31.8
366.23270	1.6
447.26868	1.6
461.28406	2.0
463.26602	3.6
465.28461	18.1
479.29993	2.2
501.31741	1.2
541.35260	8.1
548.06628	1.2
559.36273	100.0
560.36572	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.3
54.20062	1.0
55.01870	8.4
55.05263	1.5
55.05513	20.5
57.03440	8.6
57.07065	1.8
61.02925	3.7
65.03944	3.5
67.05508	72.3
69.03433	7.2
69.07072	20.7
71.05004	6.3
71.56785	1.2
73.02924	2.1
78.63767	1.1
79.05499	46.2
81.03425	11.6
81.07062	86.7
83.04981	12.0
83.08631	12.5
85.02929	5.4
85.06552	7.0
91.05484	56.2
91.06071	1.4
92.85965	1.0
93.07051	54.8
95.04969	14.6
95.08609	24.6
96.90292	1.2
96.91216	1.0
97.02895	2.7
97.06528	9.9
97.10171	3.3
98.20872	1.4
99.04485	2.6
99.08099	2.9
103.05471	1.4
105.07034	43.2
106.07319	1.5
107.04977	7.6
107.08599	43.0
109.02881	1.4
109.06532	8.3
109.10159	38.2
111.08078	4.9
113.06016	2.7
115.05509	1.4
116.06194	1.1
117.07020	9.3
119.08587	14.2
121.06545	7.0
121.10166	13.5
123.08073	3.0
123.11712	8.5
125.09641	1.4
127.07578	2.4
127.13912	1.1
128.06212	1.9
129.06992	4.6
131.08572	13.1
133.06529	3.6
133.10138	58.3
134.10478	1.3
135.08066	8.1
135.11671	7.5
139.07564	1.3
143.08574	3.9
145.06450	1.9
145.10165	5.8
147.08038	2.6
147.11671	5.9
149.09619	6.9
149.13264	9.1
151.11188	26.5
155.08508	1.2
157.10155	3.1
159.08133	1.5
159.11688	8.1
161.09657	5.3
161.13210	2.5
163.11186	2.2
167.14320	1.2
169.12262	3.8
171.11685	2.7
173.13222	1.4
175.11188	3.9
177.09183	1.5
177.12694	3.5
179.10716	2.3
184.07388	2.2
193.12180	5.6
195.13805	12.4
211.13319	4.9
215.12820	2.3
215.55057	1.1
227.17949	1.7
245.19067	4.1
251.12756	2.2
253.14365	100.0
254.14709	2.0
263.20120	4.0
267.15988	2.7
269.17490	47.5
270.17694	1.9
273.18472	19.2
285.17029	2.6
291.19565	16.0
347.22217	6.9
365.23236	22.9
447.27383	2.2
461.28751	2.7
463.26532	2.9
465.21930	1.1
465.28412	21.7
466.28604	1.5
479.29898	15.8
541.35217	7.7
554.59344	1.2
559.36298	59.1
560.36493	3.3
635.98035	1.4
757.40186	3.6
758.70642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05264	1.2
55.05512	16.6
57.03437	8.5
67.05508	18.2
69.03413	2.8
69.07066	4.9
69.49918	7.1
69.50310	2.1
69.64264	0.9
71.05005	4.9
76.36123	0.9
79.05068	1.2
79.05502	19.6
81.03419	49.7
81.07068	21.2
83.04972	4.4
83.08203	1.3
83.08634	15.1
85.02875	1.5
85.06493	1.5
91.05486	14.6
93.07053	16.3
95.04977	18.2
95.08616	9.2
96.40846	0.9
97.02859	1.8
97.06525	2.8
97.10173	15.1
98.21156	4.1
105.07034	10.7
107.04960	11.9
107.08604	12.2
109.06517	8.9
109.10152	6.0
111.04414	1.8
111.08087	4.6
117.06997	3.8
119.04935	0.9
119.08589	11.1
121.06496	11.6
121.10143	7.1
123.08036	3.8
123.11658	1.2
125.09632	12.6
128.06212	1.0
129.07021	7.4
131.05016	1.0
131.08566	9.0
133.06491	4.0
133.10146	5.0
135.08051	6.1
135.11726	2.4
137.09608	1.4
142.07785	2.0
143.08530	4.1
145.06508	6.7
145.10187	4.8
147.04376	1.1
147.08035	5.1
147.11682	7.1
149.09583	4.8
153.09097	3.3
153.12762	1.2
155.08501	1.7
157.10109	5.3
159.08093	1.0
159.11665	1.5
161.05994	2.1
161.09676	2.0
163.11206	3.0
165.12772	1.7
167.10719	2.3
169.10170	1.4
171.08057	1.7
171.10234	1.6
171.11646	2.4
173.09621	1.8
175.07449	1.3
175.11191	7.9
183.08017	1.2
189.11250	5.7
189.12694	1.8
193.12274	16.5
197.13258	1.3
199.11121	1.5
205.12212	1.5
211.13304	1.5
213.12558	1.3
215.14359	2.7
217.12289	1.7
219.13847	1.8
221.15494	1.2
227.12683	2.4
233.15356	3.1
237.12695	1.9
243.13618	1.4
249.14850	2.0
255.13844	1.8
257.15430	1.1
259.13284	2.0
267.15918	34.0
271.17065	1.1
273.14737	7.1
275.50226	1.1
293.17554	1.4
309.17068	1.3
339.23080	1.6
349.21750	4.9
357.24219	2.7
367.22665	15.7
385.23743	23.9
403.24771	7.6
441.26483	8.4
459.27435	100.0
460.27853	5.0
477.28510	88.4
478.28860	4.0
491.29962	11.8
501.28424	3.0
509.30972	5.8
541.32928	1.8
567.29547	1.6
772.35095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05505	1.1
56.05031	0.7
56.95129	0.2
57.03424	0.4
57.07073	0.4
58.06375	0.2
58.06617	0.4
59.07378	0.2
60.08163	6.2
64.07977	0.2
66.04662	0.1
67.05505	3.0
69.03434	0.2
69.07071	0.6
71.07371	2.9
71.08646	0.3
71.57838	0.2
79.05485	1.7
81.03413	0.5
81.07061	2.2
83.08635	0.6
85.02888	0.4
86.09705	29.6
87.10027	0.3
91.05483	1.1
93.07047	1.5
95.04959	0.5
95.08587	1.3
97.10167	0.5
98.98468	2.8
104.10742	2.2
105.07021	0.7
107.04971	0.3
107.08586	0.9
109.10130	1.4
117.06998	0.4
119.08570	0.4
121.06507	0.2
121.10146	0.6
123.11640	0.2
125.00003	19.7
125.09615	0.2
131.08577	0.4
133.10120	0.3
135.11711	0.4
145.10080	0.3
147.11613	0.3
159.11691	0.5
161.13319	0.2
163.03136	0.2
169.10030	0.2
173.13191	0.3
184.07336	100.0
185.07658	0.8
189.11331	0.3
223.13322	1.0
229.14409	0.7
261.22150	0.3
297.16974	2.0
308.49283	0.2
313.27350	0.7
329.24698	0.2
335.25839	2.1
360.20386	0.2
437.66150	0.2
489.35699	0.3
557.38190	0.8
595.51843	0.2
650.43878	9.0
651.44037	0.2
754.48846	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	754.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01870	2.8
55.05263	2.3
55.05513	33.9
57.03434	13.9
57.06825	2.1
57.07079	32.7
59.04995	2.4
61.02919	2.7
67.05506	42.5
69.03439	2.0
69.07073	11.9
71.04994	2.5
71.08273	1.9
71.08630	21.2
71.58561	1.5
72.09258	1.2
76.95161	1.1
79.05493	14.2
81.03405	3.7
81.07060	27.4
83.04988	3.0
83.08625	18.7
85.02909	17.3
85.06557	1.5
85.10181	13.9
86.09683	2.3
87.04468	7.3
89.06037	2.2
91.05489	7.1
93.07046	5.8
95.04977	2.3
95.08606	24.5
97.02866	2.2
97.09557	1.4
97.10177	24.0
103.03930	2.4
103.07574	1.5
105.07038	2.6
107.08594	7.4
109.06520	1.3
109.10159	34.5
111.11755	1.3
115.99192	1.1
119.08595	3.9
121.10156	3.6
123.11742	2.2
125.00010	2.3
125.09628	19.2
131.08638	1.3
133.10129	1.8
141.82175	1.2
143.10684	5.2
145.10101	2.9
147.08041	1.3
153.12769	2.6
163.11238	2.2
173.11781	11.3
184.07324	10.1
191.10690	1.9
199.13361	13.4
209.11719	2.4
219.91554	1.2
227.12762	13.0
229.14359	41.2
229.16550	2.6
239.23775	4.2
257.13910	1.4
283.15561	2.1
301.16479	27.3
313.27365	100.0
314.27783	3.3
319.17450	3.5
341.26764	3.1
437.36206	6.0
455.37302	20.8
467.37396	22.1
521.38812	2.9
539.39349	15.4
557.40344	5.2
622.29852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01871	21.3
55.05256	4.2
55.05512	57.9
57.03438	33.1
57.07077	4.5
59.05003	36.6
61.02930	9.7
65.03934	2.6
67.05504	100.0
68.05846	2.4
69.03422	16.0
69.07064	15.0
69.58721	13.8
70.04195	2.2
71.04985	20.8
73.02911	7.1
79.05495	46.4
81.03415	33.5
81.07058	49.9
82.04185	3.1
83.04980	21.3
83.08619	23.1
85.02909	14.0
85.06548	6.1
87.04475	46.1
91.05477	35.7
93.07040	25.3
95.04971	20.6
95.08602	23.4
97.02895	12.2
97.06529	12.6
97.10171	49.4
98.07316	7.4
98.21249	7.0
98.96345	1.9
99.04448	29.6
99.08093	2.1
101.06036	2.6
101.09690	1.9
103.03957	2.7
105.07032	18.0
107.04971	9.4
107.08594	30.6
109.06522	6.6
109.10155	73.0
111.04466	5.5
111.08053	9.8
116.04708	14.5
117.05534	3.9
117.06996	8.4
119.08588	21.6
121.06490	5.8
121.10151	12.3
123.04408	2.0
123.08096	5.8
125.06036	3.0
125.09628	43.4
127.03933	2.6
127.11160	4.0
129.05482	32.8
129.07010	7.3
131.08554	11.1
133.10110	11.2
135.08064	5.3
135.11717	10.1
136.85640	2.5
137.09607	9.2
143.07050	6.8
143.10690	6.8
145.05037	2.7
145.10118	15.9
147.08054	3.8
147.11612	9.8
149.09630	5.3
151.11281	2.6
153.09093	3.6
153.12758	7.6
155.10707	6.1
157.08615	17.7
157.10100	6.0
158.05733	4.4
163.11189	15.5
165.12709	2.2
167.07068	3.1
171.06575	3.6
171.10190	5.9
173.04588	2.0
173.11760	25.6
175.11232	5.0
177.12738	2.0
179.10622	1.9
181.12250	5.2
184.07356	6.6
185.08112	2.4
189.11198	11.1
191.10738	5.7
193.12279	8.6
199.09590	3.5
199.13295	25.7
200.14079	6.2
209.11700	13.9
210.12469	2.3
211.13306	6.9
217.14383	5.8
223.13388	2.2
227.12798	20.1
229.14346	63.3
241.14391	7.1
255.15953	3.1
255.35350	2.5
267.15997	10.3
283.15350	10.6
285.17075	2.4
301.16434	51.3
315.18039	6.5
316.88184	2.2
326.24396	4.0
421.25742	3.4
425.25528	2.4
437.25153	3.7
438.26126	3.5
443.26205	6.7
455.26422	33.8
541.29559	10.9
559.31091	9.1
706.89264	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	754.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.05514	22.2
57.03431	11.6
61.43385	3.7
67.05509	72.1
69.07071	16.5
70.01065	18.0
71.04992	3.8
77.03952	4.0
79.05499	95.9
81.03411	6.9
81.07059	65.5
83.04979	13.1
83.08643	9.9
85.06598	5.5
91.05489	100.0
91.06068	5.3
93.07053	92.8
95.04987	21.0
95.08610	44.6
97.06525	6.0
97.10157	3.6
98.21018	9.6
99.08099	3.4
103.05459	3.4
105.04527	5.9
105.07041	83.6
107.04962	8.7
107.08595	28.9
109.06550	5.5
109.10172	12.9
117.07009	27.1
119.07763	7.3
119.08581	70.7
121.10147	18.1
123.08070	6.8
123.11742	6.2
128.06207	8.2
129.05530	3.7
129.07010	20.8
131.08580	22.1
133.10139	42.7
135.11711	15.7
141.07011	4.6
143.08534	19.7
145.10136	26.6
147.08046	4.4
147.11684	54.3
149.13271	9.9
157.10158	14.7
159.11688	16.8
161.09552	5.5
161.13257	33.6
163.11340	3.6
163.14810	4.7
170.54912	3.7
171.11687	33.2
172.03778	3.6
173.13290	13.4
175.14835	16.0
184.07280	4.5
185.13321	5.9
187.14742	5.0
189.12703	7.8
199.14880	9.2
207.13879	16.8
231.21106	6.4
241.19516	25.6
259.20605	67.1
276.12192	3.7
279.15988	20.3
281.17480	77.0
293.13083	4.4
311.23999	3.9
315.23160	7.2
333.24249	52.2
429.31509	4.4
447.32361	4.4
465.33490	5.6
521.35522	5.2
539.37366	68.0
557.38458	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
53.42828	1.2
54.38164	1.3
55.01872	20.5
55.05510	49.6
57.03147	1.5
57.03436	30.3
57.07059	3.9
59.05002	47.2
61.02924	6.0
65.03928	4.3
67.05504	100.0
69.03426	12.0
69.06780	1.4
69.07073	14.8
69.23049	1.1
70.44476	1.3
71.01349	2.9
71.04999	15.2
73.02913	7.4
79.05495	43.3
80.06230	1.3
81.02979	2.1
81.03419	25.0
81.07057	40.5
82.04187	3.9
82.07854	1.5
83.01327	2.0
83.04980	19.6
83.08614	21.5
84.02114	1.4
84.05753	1.7
85.02908	10.9
85.06529	5.4
87.04466	51.8
91.05480	31.2
92.05764	1.6
93.07052	28.6
95.04973	17.2
95.08602	14.3
96.89593	1.3
97.02888	12.6
97.06522	12.5
97.10172	32.9
98.07322	6.1
98.21085	2.1
99.04453	22.0
99.08097	3.1
101.06012	2.6
105.07034	14.7
107.04945	8.8
107.07968	1.7
107.08607	21.1
109.02856	2.4
109.06499	5.5
109.10155	72.2
111.04459	7.5
111.08086	9.3
113.05923	1.5
115.03915	2.2
115.05378	1.7
116.04703	14.8
117.05505	1.6
117.07030	7.5
119.08579	17.9
121.06480	2.7
121.10137	9.2
123.08077	6.8
123.11706	2.2
125.09625	37.2
126.09908	1.4
127.03912	3.1
127.11184	3.8
129.05481	28.9
129.06993	3.6
130.07805	2.0
131.08565	8.0
133.10088	6.5
135.08049	3.9
135.11682	8.1
137.06007	1.6
137.09666	6.7
139.07481	1.7
142.62611	1.2
143.07013	7.4
143.10699	3.1
145.10121	10.6
147.08041	1.8
147.11673	5.4
149.09569	5.0
153.09093	2.8
153.12744	4.1
155.10629	6.5
157.08582	15.9
157.10056	4.6
158.05737	1.7
163.11183	14.1
164.11819	1.5
165.09085	1.3
171.06503	3.3
171.10146	4.6
173.04349	1.4
173.09607	3.1
173.11737	24.5
175.11194	4.4
181.12222	3.9
185.08078	2.3
185.11653	2.9
189.11252	9.4
191.10683	4.7
193.12181	7.0
199.09636	3.4
199.13277	19.9
200.14005	4.6
209.11722	14.7
211.13243	4.6
213.11168	1.5
217.14275	3.3
223.13295	2.8
227.12756	15.5
229.14351	68.4
241.14362	3.2
242.15186	1.8
255.15907	4.9
257.13748	1.9
267.15891	11.2
271.15149	1.6
283.15433	14.5
283.18610	2.9
284.15955	1.9
285.17050	1.7
287.18436	2.8
301.16440	43.0
302.16669	1.6
311.18384	1.6
311.22116	1.6
315.17960	4.3
326.24524	2.8
353.23297	2.3
369.22662	1.7
371.24014	1.9
421.25519	3.7
425.25214	2.1
437.24817	2.1
438.26065	3.8
443.26129	5.9
455.26355	41.5
456.26730	2.1
481.39185	1.6
541.22296	1.6
541.30066	20.4
542.29706	2.0
559.31189	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	754.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01876	11.1
55.05260	2.2
55.05515	29.1
57.03433	16.8
57.07074	2.2
59.04998	1.9
65.03937	4.9
66.04739	1.5
67.05505	54.3
69.03430	16.2
69.07071	10.9
69.55704	10.4
71.01348	2.7
71.04989	12.9
73.02917	3.8
79.05494	42.5
81.03419	100.0
81.07056	44.1
82.04194	1.7
83.01326	1.6
83.04975	23.2
83.08615	25.1
84.05766	1.3
85.02911	25.0
85.06532	4.5
87.04449	1.8
91.05483	46.0
92.29279	1.4
93.06464	2.5
93.07041	35.8
94.04176	2.9
95.04968	37.5
95.08604	16.9
97.02890	19.5
97.06551	10.7
97.10176	13.3
98.03697	9.9
98.07280	4.1
98.20744	3.0
98.21364	3.8
99.04482	7.1
99.08082	3.4
103.05491	2.4
105.07031	28.7
107.04956	21.8
107.08598	19.5
109.02868	6.0
109.06509	6.0
109.10146	22.7
110.07291	3.9
111.04499	6.6
111.08091	10.4
113.05983	3.7
115.07587	1.4
116.04684	1.8
117.07003	6.5
119.08578	23.2
121.06500	5.8
121.10144	14.6
123.04395	5.0
123.08081	6.7
123.11713	2.5
125.06000	3.3
125.09631	13.9
127.03914	9.2
127.11171	2.3
128.06171	1.7
129.05537	7.0
129.07011	12.9
131.08569	14.8
133.06454	4.0
133.10114	13.8
135.04414	5.0
135.08031	4.3
135.11694	9.3
137.09563	3.8
139.11139	1.2
141.06958	1.9
142.07793	2.4
143.07056	1.8
145.10132	9.8
147.08055	4.1
147.11673	15.2
149.09647	7.6
153.05469	1.7
153.09113	5.7
153.12750	3.6
155.10674	2.4
157.08731	2.2
157.10089	15.1
159.11684	1.6
163.04111	1.4
163.11174	12.3
164.11986	1.9
165.12790	4.2
173.04445	20.4
173.09645	3.2
173.11769	7.8
175.11208	14.3
181.12277	3.6
184.07399	2.8
189.09383	1.4
189.11230	5.4
191.10753	4.5
193.12247	45.0
199.05986	6.1
199.13327	3.4
209.11743	9.2
211.13283	47.0
224.14063	2.8
227.12779	13.4
229.14301	7.8
255.15915	2.0
265.14487	1.7
267.15897	25.7
283.15399	9.7
285.16980	23.7
301.16431	3.6
329.86411	1.4
353.15964	1.9
404.87949	1.4
409.25897	2.0
411.19992	3.6
421.25854	6.1
427.26797	2.3
439.26944	32.2
440.27451	2.0
445.20654	4.7
447.27591	2.4
448.27441	1.5
457.25879	1.9
459.27222	2.7
475.26999	5.4
476.27771	3.2
477.28293	3.0
493.27783	12.3
494.28748	2.9
495.65637	1.5
507.29346	2.8
508.30099	4.0
511.29196	9.1
550.10364	1.4
574.35693	1.5
621.32550	2.4
639.33929	7.2
655.32617	4.4
784.30511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01876	9.5
55.05511	11.3
57.03432	4.3
65.03940	2.5
67.05511	18.8
69.03440	1.3
69.07069	13.1
69.75219	6.5
71.04993	2.7
79.05497	19.1
81.03419	6.1
81.07061	24.3
83.01334	1.9
83.04985	6.5
83.08614	5.7
85.02914	1.5
85.06553	1.4
91.05483	28.0
93.07053	18.5
95.01339	3.1
95.04965	6.5
95.08603	16.3
95.41858	1.0
97.06100	0.9
97.06554	9.7
97.10197	1.7
98.21073	3.7
105.07035	37.5
107.04959	8.7
107.08599	9.7
109.06510	3.3
109.10181	3.6
111.04462	1.2
111.08105	1.2
117.06999	7.8
119.08590	18.5
121.06535	2.7
121.10158	4.4
123.04424	1.7
123.08095	4.3
125.09597	1.6
129.07074	1.4
131.08563	10.3
133.10138	19.8
135.08049	1.9
135.11702	5.3
139.07573	1.0
143.08556	2.9
145.06499	1.2
145.10130	10.4
147.11705	7.1
149.09608	3.0
151.11188	1.1
157.10086	1.7
159.11694	5.5
161.13269	2.8
163.11188	6.4
171.11694	1.2
173.13271	1.3
177.12796	1.7
179.14362	5.8
181.12358	1.3
183.11662	1.1
184.07385	1.6
187.11006	1.3
192.26111	1.0
209.11758	1.6
229.19572	1.1
247.20587	1.3
257.19046	3.0
275.20078	34.9
275.23117	1.8
283.15396	20.0
349.23734	15.5
385.61761	1.2
539.33728	2.0
557.34778	100.0
558.34772	4.8
608.26141	1.2
626.06738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73788	1.7
53.03952	11.8
55.01874	17.1
55.05267	3.0
55.05513	46.0
57.03442	18.4
57.07076	4.1
59.04993	6.0
65.03936	4.4
67.05508	97.0
69.03431	26.7
69.07074	21.4
69.89695	5.6
69.90091	3.5
71.01353	4.6
71.04997	13.3
73.02899	4.8
79.05494	46.9
81.03422	100.0
81.07063	50.3
82.58585	1.9
83.01353	2.8
83.04984	21.5
83.08630	27.0
85.02910	41.8
85.06527	4.0
87.04485	2.4
88.14418	2.0
91.05487	37.4
93.07040	32.1
95.04964	32.9
95.08608	19.1
96.08138	2.2
97.02903	23.9
97.06512	15.1
97.10179	21.9
99.04448	8.3
103.03931	3.6
103.05428	2.9
105.07034	25.8
107.04966	18.1
107.08593	19.6
109.02874	22.8
109.06523	6.8
109.10160	50.4
111.04458	13.7
111.08080	16.2
113.06022	2.5
115.05460	2.3
117.07007	8.8
119.04957	2.4
119.08585	25.4
121.06495	9.3
121.10136	12.4
123.04415	5.5
123.08040	8.6
123.11707	3.1
125.09634	20.2
126.26728	2.4
127.03931	11.1
127.11129	2.7
129.05475	4.2
129.06972	11.4
131.03439	3.6
131.04880	3.5
131.08598	14.2
133.06483	7.2
133.10150	13.0
135.04454	2.6
135.08046	4.5
135.11674	8.6
137.05943	3.8
137.09624	6.6
142.07867	2.5
143.08557	4.6
145.06470	4.1
145.10175	11.8
147.04428	3.2
147.08023	8.5
147.11731	11.9
149.09581	7.1
151.03856	3.3
153.09135	3.1
153.12752	5.1
155.10669	4.4
157.10120	10.7
159.11687	4.0
161.09647	2.8
163.11211	10.7
165.05540	2.0
165.12801	5.5
171.10168	2.1
171.11649	4.7
173.04506	10.2
173.05817	2.5
173.11711	11.1
175.11191	14.0
181.12186	4.9
183.06532	3.3
189.11186	5.1
189.12764	5.7
191.10645	6.0
191.63150	2.3
193.12245	36.6
199.13324	3.0
209.11745	6.4
211.13286	42.7
217.12260	3.1
223.13301	3.2
227.12752	15.7
229.14401	23.2
235.13309	5.7
255.15884	3.4
267.15915	16.2
273.14587	2.4
273.18491	6.4
277.14215	2.3
283.15384	9.1
283.18509	3.7
285.17130	5.2
291.19443	11.7
309.16992	9.1
316.55673	2.1
353.15973	2.3
365.23318	2.6
421.25516	4.3
439.26929	38.5
451.79584	2.3
511.28989	3.5
519.32489	2.8
523.17511	2.3
557.34290	2.3
573.34198	4.0
614.17847	2.4
735.38641	3.1
753.40338	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	752.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.65285	0.9
55.01876	1.5
55.05519	7.5
57.03179	1.3
57.03439	12.6
57.07081	25.6
67.05505	10.1
69.07063	7.3
69.29585	0.9
69.99016	4.8
71.08276	1.5
71.08634	21.2
72.08950	0.9
76.87327	0.9
79.05486	7.5
81.03417	57.6
81.06633	1.5
81.07062	16.6
83.04991	1.8
83.08623	19.4
84.99956	0.8
85.10191	11.7
89.06013	1.5
91.05491	10.0
93.07047	5.5
95.04973	16.3
95.08611	17.2
97.06528	1.4
97.10161	4.4
98.21069	2.5
103.07573	1.4
105.07028	7.7
107.04975	4.6
107.08609	2.7
109.06524	1.5
109.10157	7.3
111.08076	4.0
119.08569	9.0
121.06538	1.4
121.10115	3.3
123.04374	1.1
123.11684	2.0
125.52888	0.9
129.07030	5.1
131.08592	6.6
133.06471	1.7
133.10112	2.7
135.11725	1.0
136.60794	0.9
142.07732	1.7
146.07161	1.0
147.08020	2.3
147.11641	5.8
149.09593	2.8
157.10123	5.9
161.88184	0.9
163.11005	1.1
164.66112	1.0
165.12790	1.7
175.11182	4.9
184.07430	2.1
193.12254	22.3
239.23596	1.0
249.14809	1.8
257.24753	2.7
267.15927	98.3
268.16299	1.5
301.14511	1.4
313.27371	100.0
314.27707	3.5
505.38879	75.8
506.39542	4.4
547.39917	2.2
601.40674	1.5
614.04431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.01873	11.6
55.05515	10.4
57.03433	2.8
65.03944	2.0
67.05166	1.5
67.05510	23.9
67.18354	0.9
69.07071	15.8
69.32387	8.9
71.04989	1.4
73.06568	1.5
79.05497	34.3
79.05959	1.7
81.03416	6.4
81.07062	34.2
81.09103	1.0
82.74905	0.8
83.04987	6.6
83.08613	5.4
85.06539	1.8
91.05486	36.7
93.07050	26.8
95.01344	4.5
95.04977	8.6
95.08610	17.9
95.78227	0.8
97.02910	0.9
97.06534	21.2
97.10185	3.3
98.21349	3.6
99.08096	1.1
105.04534	1.1
105.07038	45.0
107.04967	9.5
107.08598	10.6
109.06525	3.2
109.10130	4.9
111.04478	1.0
111.08091	1.5
117.07016	8.7
119.05005	1.0
119.08588	21.7
121.06526	2.6
121.10189	3.8
123.08102	2.1
129.07002	6.0
131.08585	7.9
133.10139	22.0
135.08044	1.1
135.11703	3.8
137.09628	1.4
141.07010	1.7
143.08580	3.2
145.06337	0.9
145.10143	11.4
147.08009	1.4
147.11691	15.8
149.09616	5.3
149.13289	1.9
159.11708	6.1
161.09647	1.3
161.13226	5.1
163.11192	3.1
165.09181	1.0
169.10127	1.8
171.11699	8.2
173.13283	1.7
177.12750	2.1
178.32980	1.1
179.14343	5.8
189.12802	2.5
197.13272	1.2
207.13846	5.2
239.18198	1.5
257.19040	2.4
259.20441	1.5
263.16669	1.0
275.20074	42.2
276.20450	1.2
279.15872	2.5
281.17505	29.8
293.21307	1.7
349.23795	16.5
377.23276	1.5
513.59930	1.0
537.36121	1.7
555.36841	100.0
556.36865	4.4
573.37531	1.4
598.03625	1.0
715.94031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01871	0.3
55.05494	1.0
56.33005	0.2
57.03433	2.1
61.07743	0.2
61.08939	0.3
69.03429	1.6
69.70269	0.9
69.70684	0.4
71.04980	0.7
71.94920	0.2
73.02919	1.2
77.03931	0.3
79.05473	0.8
81.03412	3.0
81.07044	0.3
83.04971	1.0
85.02904	3.3
91.05482	1.0
93.07044	0.4
94.06560	0.4
95.04964	0.6
97.02888	1.7
97.21484	0.2
98.20898	0.5
98.21545	0.4
99.03828	0.4
99.04452	6.7
103.03938	1.4
103.05466	1.0
104.04972	1.2
105.07026	1.6
107.04955	5.4
109.02882	11.3
109.06487	0.4
115.05418	0.5
117.05484	4.1
117.06962	0.4
118.04196	0.2
121.06528	0.5
122.06016	0.3
123.04404	0.4
124.05151	0.3
127.03919	8.9
129.26591	0.3
131.04921	0.5
132.04454	6.0
133.06485	1.0
133.10107	0.3
135.08040	2.6
137.05995	0.9
145.04932	0.9
145.06506	0.2
151.07590	0.5
155.07169	0.2
157.08560	1.9
159.06535	1.5
159.07964	0.4
161.05946	0.6
161.09616	0.3
163.07545	4.9
165.05501	0.6
165.09113	0.9
167.07042	10.2
168.07843	0.2
175.07544	0.3
177.05460	0.3
177.09082	0.3
178.04993	100.0
179.05370	1.6
180.07849	0.3
181.08530	0.7
183.06535	4.4
187.06029	0.7
187.07578	0.5
189.09093	0.4
191.06952	0.3
191.10667	0.4
192.06509	0.5
192.08038	0.4
193.08623	2.6
195.10190	4.0
201.07573	2.4
201.09135	0.3
205.06976	0.3
207.10167	0.9
211.09584	1.7
213.11218	6.3
219.10182	2.2
219.34477	0.2
220.10489	0.2
221.08018	0.4
223.09782	0.3
229.07025	0.4
233.11703	0.6
237.11151	0.3
243.08662	0.5
251.12735	1.0
253.07202	0.3
269.13959	0.3
271.08167	0.9
287.14917	4.9
297.13638	0.3
303.12274	0.8
309.09506	1.1
311.14865	1.0
321.13358	0.4
327.10788	0.7
340.10300	1.3
345.11801	3.5
353.15958	0.4
374.97406	0.3
377.15961	1.6
395.17017	6.1
396.17282	0.4
422.14417	1.1
466.13382	0.8
503.19247	1.2
521.20313	1.8
538.34296	0.3
539.20685	0.5
557.22491	0.5
752.26929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01880	0.8
55.05513	1.7
57.03432	1.6
61.02928	4.9
65.03934	0.7
67.05508	6.2
69.03436	2.3
69.07075	2.4
71.04996	0.9
71.25223	0.5
73.02929	2.1
79.05498	5.0
79.05912	0.6
81.03414	2.5
81.07069	4.5
81.07534	0.6
83.04998	1.2
85.02904	4.0
85.06533	0.6
91.03977	2.3
91.05473	3.4
93.07044	5.6
95.04961	1.4
95.08610	2.3
97.02885	3.6
97.06548	1.4
97.10175	1.0
98.20896	2.3
101.02384	1.8
105.07029	2.7
107.04943	0.7
107.08595	3.8
109.02907	1.1
109.06509	0.8
109.10168	1.5
117.07045	0.9
119.08605	1.8
121.06478	0.5
121.10174	1.3
123.08089	0.6
127.03882	1.0
129.07118	0.6
131.08580	1.0
133.10138	1.4
135.08064	0.6
135.11693	5.2
145.10150	1.3
149.09618	0.6
159.11737	0.6
159.90811	0.5
163.11230	0.8
173.04547	0.5
184.07361	1.9
185.04239	0.6
191.10742	0.6
221.11572	0.8
243.08427	2.9
277.14297	0.6
333.20416	1.7
439.19418	11.5
444.59979	0.5
453.21368	0.6
526.85919	0.5
551.28143	4.8
718.63794	0.5
749.40814	100.0
750.41193	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	751.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53247	4.5
55.05527	25.7
57.03428	16.0
57.07076	37.3
60.43448	4.6
60.94495	4.6
67.05507	41.8
69.07069	17.6
71.08639	33.3
71.14877	9.5
74.14780	5.3
79.05502	41.1
81.07062	43.4
83.08617	13.0
85.10188	15.2
86.07372	4.7
87.04455	12.6
90.24675	4.7
91.05479	41.4
93.07050	43.7
95.04980	6.2
95.08607	46.8
97.10210	7.9
98.21141	8.7
99.08125	5.5
105.07045	50.3
107.08633	22.7
109.10168	17.9
117.07033	15.6
119.08585	44.7
121.10139	13.6
129.07008	9.0
131.08572	25.4
133.10135	37.0
135.11714	11.5
142.28421	5.4
143.08569	9.4
145.10129	17.3
147.11682	35.8
149.13260	10.1
155.08513	6.1
157.10132	11.3
159.11705	17.5
161.02258	5.0
161.13258	21.9
171.11691	11.9
173.13269	13.3
175.14799	7.0
185.13260	11.0
199.14865	7.4
220.13585	4.7
231.21150	8.0
241.19499	27.8
259.20618	65.9
272.40164	4.9
313.24023	8.4
313.27371	100.0
333.24277	38.1
339.65793	5.0
367.22726	10.0
388.67014	4.8
507.40302	9.1
571.47400	10.6
587.46545	6.6
589.48151	25.8
723.13342	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	749.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01880	0.8
55.05513	1.7
57.03432	1.6
61.02928	4.9
65.03934	0.7
67.05508	6.2
69.03436	2.3
69.07075	2.4
71.04996	0.9
71.25223	0.5
73.02929	2.1
79.05498	5.0
79.05912	0.6
81.03414	2.5
81.07069	4.5
81.07534	0.6
83.04998	1.2
85.02904	4.0
85.06533	0.6
91.03977	2.3
91.05473	3.4
93.07044	5.6
95.04961	1.4
95.08610	2.3
97.02885	3.6
97.06548	1.4
97.10175	1.0
98.20896	2.3
101.02384	1.8
105.07029	2.7
107.04943	0.7
107.08595	3.8
109.02907	1.1
109.06509	0.8
109.10168	1.5
117.07045	0.9
119.08605	1.8
121.06478	0.5
121.10174	1.3
123.08089	0.6
127.03882	1.0
129.07118	0.6
131.08580	1.0
133.10138	1.4
135.08064	0.6
135.11693	5.2
145.10150	1.3
149.09618	0.6
159.11737	0.6
159.90811	0.5
163.11230	0.8
173.04547	0.5
184.07361	1.9
185.04239	0.6
191.10742	0.6
221.11572	0.8
243.08427	2.9
277.14297	0.6
333.20416	1.7
439.19418	11.5
444.59979	0.5
453.21368	0.6
526.85919	0.5
551.28143	4.8
718.63794	0.5
749.40814	100.0
750.41193	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	748.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01858	2.7
55.05513	16.1
57.03446	11.7
57.06828	2.1
57.07082	30.9
57.30514	1.7
61.02922	2.4
67.05511	23.9
69.03439	2.6
69.07062	11.2
71.04964	6.2
71.08639	22.5
71.57607	1.7
74.82600	1.6
79.05503	17.2
81.03423	41.4
81.07065	28.4
82.01501	1.6
83.04986	13.3
83.08621	24.9
85.02911	16.7
85.06545	2.8
85.10186	14.1
86.09696	4.0
89.06050	2.3
91.03944	1.9
91.05487	24.3
93.07054	15.0
95.04982	17.9
95.08613	22.5
97.02908	4.3
97.06527	3.6
97.10168	6.1
105.07037	15.0
107.04948	5.9
107.08597	6.6
109.06495	2.4
109.10162	10.3
111.08074	5.8
117.07018	1.8
119.08585	15.7
121.10137	8.3
123.08083	3.4
123.11709	4.2
129.06978	5.6
131.08572	8.0
133.10179	8.9
135.11678	1.9
137.13252	2.2
142.07780	2.3
145.10138	2.5
147.08102	2.3
147.11671	9.6
149.09639	4.6
157.10123	10.3
162.94583	1.6
165.12704	1.9
175.11195	10.9
184.07365	11.2
193.10641	2.3
193.12276	35.1
211.13318	57.5
255.36118	1.7
267.15884	20.3
279.31778	1.6
285.16983	71.4
286.17227	1.9
313.27310	2.4
341.30518	76.1
342.30847	2.7
509.41431	1.8
533.42108	11.3
551.43091	100.0
552.43231	5.6
589.47571	2.7
599.96533	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57337	0.4
55.05504	1.4
57.03437	0.9
60.08174	2.4
60.67915	0.4
61.02932	3.7
67.05508	4.7
69.03441	2.3
69.07058	1.8
71.04996	0.6
71.07375	1.1
71.58031	0.6
73.02903	2.5
79.05491	4.5
80.18796	0.4
81.03438	1.0
81.07056	5.1
83.08619	0.8
85.02910	3.4
85.06517	0.5
86.09711	11.1
87.10052	1.2
91.03960	2.8
91.05486	3.5
93.07046	5.3
95.08591	2.5
97.02901	2.2
97.06557	0.5
98.98478	1.4
101.02400	1.3
104.10765	0.8
105.07043	1.8
107.08622	2.1
109.10093	0.4
111.08100	0.6
117.07010	0.7
119.08578	2.0
121.10168	1.7
125.00001	7.5
127.03967	1.2
129.07037	0.5
131.08565	0.9
133.10156	1.4
135.11716	1.0
145.10205	0.5
147.11725	0.7
149.13281	1.8
149.94336	0.5
159.11790	1.0
184.07347	39.6
185.04260	0.8
185.07710	5.7
235.13081	1.0
243.08441	1.9
243.52631	0.4
301.08957	1.2
315.10687	0.5
323.29803	0.5
443.18954	0.9
453.21094	8.6
465.21252	0.5
525.23328	1.4
535.28693	5.2
665.08160	0.6
701.30322	0.6
712.45056	0.8
713.46234	0.8
747.42902	100.0
748.43036	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	748.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82114	1.8
53.03945	6.0
55.01859	3.5
55.05511	29.0
56.71771	1.9
57.03452	3.7
57.07076	61.5
62.06062	2.4
65.03957	2.4
67.05169	4.0
67.05508	63.4
67.05869	3.9
69.06764	2.7
69.07076	25.3
71.04984	3.1
71.08633	62.6
72.76242	2.4
79.05491	38.2
80.05023	3.5
81.03415	4.6
81.07059	66.5
83.04984	10.0
83.08623	26.5
85.06524	2.8
85.10184	25.3
91.05479	35.3
93.07044	37.4
95.04967	10.9
95.08611	59.1
96.29993	1.9
97.06525	5.5
97.10177	11.7
98.21025	11.5
98.98473	6.7
99.08092	13.7
105.07028	20.1
107.04924	3.0
107.08596	23.0
109.06518	5.9
109.10162	21.5
111.08146	3.3
113.09615	4.5
117.07018	8.0
119.08593	14.0
121.10140	8.2
122.29367	2.2
123.08113	3.8
123.11665	10.2
125.09623	2.9
129.06976	4.5
131.08568	7.6
133.10130	12.8
135.11693	9.4
137.13242	3.1
145.10133	7.7
147.11703	7.1
149.13246	8.2
151.11192	22.8
155.01057	3.3
157.10161	2.3
159.11726	6.9
161.13310	7.6
163.11205	16.1
165.12743	2.6
171.11627	5.7
177.12764	4.0
179.14296	7.5
180.81818	2.1
182.71082	2.2
184.07350	3.2
185.13242	2.3
195.13734	3.7
211.13356	2.2
220.16974	15.2
238.18039	7.7
239.23714	6.6
241.19572	5.1
251.16409	3.3
259.20566	4.4
277.21667	15.6
282.27890	14.8
285.16525	2.4
313.27386	36.3
318.14676	6.0
320.25903	5.9
340.53162	2.1
343.31305	2.5
351.25330	5.1
374.17221	2.7
381.82300	2.3
392.18256	9.9
474.26294	2.7
489.39526	3.6
493.38785	3.0
507.40463	100.0
508.40704	7.4
532.43018	2.9
551.42419	4.4
571.47156	18.9
589.48248	95.2
590.48346	6.7
607.49292	19.4
630.41370	39.8
631.42053	3.9
712.48633	9.0
748.46600	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	747.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01878	0.3
55.05520	1.5
57.03444	2.1
60.91471	0.3
61.02934	5.6
63.54218	0.2
65.03934	0.2
67.05507	4.8
69.03425	3.2
69.06676	0.3
69.07066	1.0
69.36752	2.4
71.01359	0.6
71.04980	0.6
73.02917	4.5
79.05495	3.9
81.03419	2.5
81.07063	4.8
82.91268	0.2
83.08617	1.0
85.02905	5.7
86.09713	1.0
91.03963	3.3
91.05486	3.4
93.07050	3.4
95.04974	1.0
95.08607	3.2
97.02897	4.2
97.10153	0.3
98.21288	1.0
99.04482	0.8
101.02381	1.6
103.03952	0.3
105.07034	1.9
107.04985	0.3
107.08583	2.2
109.02882	0.8
109.06587	0.3
109.10156	1.3
111.08086	0.4
115.03967	0.5
117.06998	0.7
119.08600	1.4
121.10159	1.6
123.11776	0.5
125.00079	0.6
127.03913	2.0
129.07042	0.7
131.08571	1.0
133.10162	1.0
135.11688	0.8
145.10181	0.6
147.11743	0.9
149.09665	0.5
149.13242	0.4
157.10155	0.5
159.11760	0.3
174.45703	0.3
175.11203	0.4
175.48697	0.3
184.07361	3.5
185.04343	0.4
193.12311	0.7
203.05397	0.4
211.13463	0.4
214.05223	0.3
217.69380	0.2
243.08275	2.1
251.12640	0.9
307.15390	0.5
335.25897	0.6
383.11508	0.3
385.19852	6.8
386.20438	0.3
469.20334	3.7
519.29285	7.4
747.42889	100.0
748.43121	5.7
770.42133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01889	0.3
55.05505	1.2
57.03428	1.6
57.07092	0.4
60.08166	0.6
61.02928	4.9
67.05512	3.3
69.03432	3.2
69.07066	1.2
69.90042	1.1
69.90449	0.6
71.05005	0.6
73.02923	3.8
79.05492	2.6
81.03425	3.6
81.07058	3.9
83.08613	1.0
85.02911	5.4
86.09721	1.7
91.03957	3.1
91.05485	2.9
93.07040	3.1
95.04980	1.2
95.08597	2.1
97.02900	4.3
98.20925	0.9
98.21525	0.4
98.98489	0.3
99.04493	1.0
101.02375	1.8
102.14870	0.3
103.03967	0.4
105.07024	2.3
107.08589	1.0
109.02886	0.5
109.10184	1.0
115.03876	0.4
117.07051	0.3
119.08596	1.7
121.10131	2.0
125.00022	1.0
127.03922	1.3
129.07019	0.6
131.08597	1.0
133.10136	1.2
135.11731	0.5
145.10164	0.4
147.11717	1.0
149.13300	0.5
157.10141	0.9
175.11150	0.6
184.07332	5.2
185.04370	0.6
185.07680	0.6
193.12285	0.7
203.05299	0.4
211.13414	0.6
220.29753	0.3
243.08434	2.1
251.12624	1.0
349.92105	0.3
351.75470	0.3
469.20465	8.4
519.29401	3.9
708.39282	0.3
747.42871	100.0
748.43164	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01863	2.5
55.05265	1.4
55.05510	21.2
57.03438	14.1
57.07059	2.5
61.02918	3.0
65.03922	1.7
67.05505	54.4
69.03416	2.9
69.07069	19.0
70.12648	0.9
71.04983	3.7
72.97519	0.9
73.02909	1.3
79.05057	1.6
79.05493	25.0
81.03419	38.0
81.07056	52.9
83.04975	9.4
83.08620	19.3
85.02432	1.1
85.02907	16.8
85.06525	1.5
86.09660	1.2
91.03932	1.9
91.05477	25.9
93.07041	23.2
95.04978	15.2
95.08607	33.3
97.02884	3.6
97.06509	3.5
97.10169	5.1
98.21301	4.9
105.07026	17.7
107.04940	3.9
107.08596	9.9
109.06501	2.6
109.10163	14.9
111.04438	1.7
111.08064	7.8
113.06032	2.1
117.06985	1.9
119.08581	15.5
121.10136	10.8
123.11691	6.1
125.09634	1.2
127.03872	1.2
129.07004	6.5
131.08563	8.3
132.75659	1.0
133.06436	1.3
133.10143	9.9
135.11671	4.5
137.09630	1.5
137.13300	1.3
142.07780	1.3
145.10121	2.3
147.08017	2.6
147.11676	11.7
149.09610	4.2
151.11258	1.2
157.10144	8.8
158.06993	1.3
165.12743	1.2
175.11166	7.0
184.07343	2.8
189.16377	1.8
193.12247	24.1
211.13292	38.2
221.62372	0.9
243.43512	1.0
263.23776	2.3
267.15927	13.5
285.16971	44.4
285.20172	2.2
319.26361	1.8
337.27350	80.2
338.27682	3.2
489.35379	1.9
529.38916	14.7
547.39929	100.0
548.40204	4.3
614.68451	1.2
744.45880	7.9
745.41315	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	746.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43815	0.1
55.05510	0.3
56.05037	0.7
57.03420	0.1
58.06326	0.2
58.06630	0.5
59.07402	0.1
59.31144	0.1
60.08165	6.2
67.05513	0.6
67.10508	0.1
69.07067	0.1
69.25921	0.1
69.26245	1.1
70.06604	0.2
71.07376	4.0
79.05502	0.5
81.03413	0.2
81.07050	0.6
83.04974	0.1
83.08630	0.2
86.09708	31.1
87.10041	0.3
91.05484	0.3
93.07064	0.4
95.08615	0.2
97.10157	0.2
98.20984	0.5
98.98464	3.4
104.10744	2.5
105.07049	0.3
107.08592	0.4
109.10165	0.2
117.07076	0.2
119.08585	0.2
125.00007	21.4
125.09653	0.2
131.08647	0.1
133.10118	0.2
135.11688	0.1
143.01071	0.2
147.11757	0.1
149.55925	0.1
170.45064	0.1
184.07343	100.0
185.07732	0.8
227.12804	0.3
426.71573	0.1
530.35370	0.1
531.35779	0.2
710.43622	0.1
728.44946	7.5
729.44556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05040	0.7
58.06380	0.2
58.06634	0.4
59.07388	0.2
60.08167	6.2
60.48571	0.1
67.05503	0.3
71.07377	3.9
71.40207	0.1
71.57932	0.1
79.05506	0.3
81.07056	0.3
86.09711	32.6
87.10057	0.3
91.05498	0.2
93.07036	0.3
94.86541	0.1
95.08634	0.1
98.98470	3.4
104.07119	0.3
104.10757	2.5
121.10175	0.1
125.00013	21.6
143.01059	0.2
184.07350	100.0
185.07785	0.9
255.05118	0.1
518.32098	0.2
710.42969	0.2
728.45020	8.7
729.44623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01871	2.4
55.05262	2.1
55.05510	28.0
57.03224	1.3
57.03437	15.0
57.07079	7.8
61.02911	4.2
67.05176	2.3
67.05506	31.5
69.03425	3.3
69.06725	2.0
69.07072	27.6
71.04983	5.2
71.08604	4.3
71.57526	2.9
79.05493	25.5
81.03421	45.0
81.07060	43.8
83.04635	1.2
83.04990	14.1
83.08622	30.9
85.02911	20.1
91.05494	25.3
93.07049	19.8
95.04969	19.1
95.08602	27.3
97.02885	4.4
97.06525	5.1
97.10186	12.4
99.08139	2.1
105.07048	14.1
107.04953	5.8
107.08585	8.3
109.06506	4.7
109.10159	13.7
111.04474	2.6
111.08064	8.1
111.11698	2.6
117.06946	1.8
119.08594	11.9
121.10143	16.9
123.11694	3.6
125.09611	2.4
129.07036	7.9
131.08548	8.3
133.06464	1.9
133.10182	7.4
135.11690	5.5
137.09628	2.0
142.12012	1.3
145.10184	1.8
147.08047	3.6
147.11716	14.4
148.73044	1.6
149.09593	5.7
157.10165	10.9
165.12704	2.2
168.82661	1.5
175.11249	12.2
184.07356	5.6
193.12233	32.3
203.83669	1.6
211.11285	3.3
211.13292	53.5
231.40622	1.4
247.24287	1.6
267.15958	18.0
285.16974	66.2
300.02881	1.6
339.28952	70.0
401.84808	1.6
475.62012	1.6
531.40436	13.1
549.41498	100.0
550.41760	2.4
618.77698	1.7
688.01227	1.6
746.45221	1.7
747.40332	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01868	2.4
55.05510	20.1
57.03436	9.9
57.07061	3.1
59.05000	2.5
61.02908	3.9
65.03924	4.0
67.05502	100.0
68.05824	1.2
69.03410	2.4
69.07067	17.8
71.04993	18.1
71.57245	1.2
73.02900	1.5
79.05489	40.8
81.03413	10.3
81.07054	49.5
82.23295	0.9
83.04996	5.2
83.08615	14.3
85.02900	5.1
85.06543	2.6
86.41914	0.9
91.05479	31.2
93.07041	43.2
95.04961	9.0
95.08604	36.2
97.02876	1.8
97.06522	6.7
97.10155	3.7
99.04418	1.2
99.08051	1.1
103.03931	1.2
105.07020	15.7
107.04929	2.2
107.08591	19.2
109.06499	2.8
109.10151	64.2
111.08080	5.1
111.65730	0.8
117.07050	4.5
119.07781	1.5
119.08582	19.2
121.10137	20.3
121.67251	0.9
123.11695	4.2
125.00024	2.3
125.09632	0.9
129.06998	2.6
131.08557	7.7
133.10112	9.7
135.11697	15.2
137.09592	9.0
145.10162	6.9
147.11646	6.4
149.09647	1.7
149.13261	3.9
155.10667	2.0
157.10138	4.2
159.11673	3.4
161.13246	2.3
163.11168	3.1
163.14771	2.1
165.12767	1.0
169.12325	1.3
173.11713	6.7
173.13239	2.7
175.11151	3.4
181.12221	2.3
184.07358	7.8
187.13283	1.7
187.14815	1.8
193.12291	6.5
210.97696	1.0
211.13281	8.9
213.14940	1.4
243.15953	1.2
255.15953	5.0
261.22165	2.3
267.15958	2.5
285.16965	13.8
287.18518	16.3
317.24670	1.9
324.85977	1.1
335.21951	1.8
335.25769	22.9
337.27310	14.0
398.30115	1.1
439.23471	1.0
459.57584	1.1
471.34799	2.9
489.35718	81.7
490.35986	2.6
503.37213	3.3
515.37329	9.7
529.38696	2.8
547.39935	81.2
548.39929	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	747.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01880	0.7
55.05497	2.2
57.03421	2.2
60.08163	3.0
61.02922	5.1
61.53172	0.7
63.51657	0.9
67.05508	7.4
69.03435	3.8
69.07076	2.2
69.64082	1.2
69.64494	3.7
71.07371	1.4
73.02936	3.7
76.94736	0.7
79.05505	5.2
81.03424	2.9
81.07058	5.7
83.08618	1.2
85.02914	4.8
86.09710	13.6
87.10043	1.7
91.03962	2.8
91.05483	4.3
93.07047	6.2
95.04957	1.8
95.08602	3.4
97.02910	4.8
97.06540	1.1
97.10170	1.3
98.21275	1.3
98.98453	1.6
99.04494	1.2
101.02399	1.7
104.10748	1.2
105.07050	2.9
107.04955	1.1
107.08592	3.3
109.06557	1.5
109.10178	1.6
115.03988	0.7
117.07008	0.9
119.08580	1.7
121.06554	0.8
121.10109	1.4
121.49068	0.7
125.00023	9.4
127.03908	1.4
133.10147	2.7
135.08093	0.9
135.11719	3.6
142.04515	0.8
145.10132	1.1
184.07350	50.6
185.07747	3.5
208.04256	0.7
212.63361	0.8
221.11615	1.8
243.08415	2.6
244.94434	0.7
313.17746	1.2
331.18909	1.8
439.19473	11.6
451.19333	1.0
451.69647	0.7
493.81473	0.8
511.21631	1.9
531.25854	2.1
536.23059	0.7
549.26703	4.0
593.41687	1.0
649.31671	3.5
729.38177	11.1
730.38660	1.0
742.66797	0.9
747.39227	100.0
748.39691	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	744.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01875	6.7
55.05268	1.5
55.05515	23.5
57.03444	12.2
57.07081	7.7
59.04976	1.6
61.02923	3.2
62.58820	1.3
67.05510	20.6
68.59149	1.5
69.07073	19.5
69.47817	1.9
69.48221	9.5
71.08625	4.0
73.02921	1.5
75.85551	1.3
79.05106	2.1
79.05495	17.6
81.03427	7.1
81.07063	26.1
83.01345	3.8
83.04978	8.3
83.05429	1.8
83.08615	18.1
85.02905	4.8
85.10159	1.7
91.03950	2.8
91.05482	9.2
93.07040	21.4
95.04942	4.0
95.08614	19.9
97.02891	2.9
97.06525	4.6
97.10148	8.4
98.20777	2.6
99.04470	2.7
105.07027	6.2
107.04934	4.6
107.08592	14.1
109.06525	3.2
109.10167	7.4
113.89386	1.6
117.07014	4.8
119.08578	5.1
121.10133	10.7
123.08080	6.3
125.09680	1.4
129.07018	1.8
131.08525	1.7
133.10104	1.5
135.11674	13.1
145.10107	10.7
163.11174	13.9
173.09689	1.8
181.12250	2.3
184.07353	3.1
191.10643	1.5
202.54509	1.5
209.11729	6.4
223.36008	1.7
226.75471	1.5
227.12787	3.5
231.51038	1.5
283.15414	100.0
284.15961	2.3
339.28943	75.9
340.29257	2.9
375.44455	1.4
411.61887	1.5
547.39966	49.2
548.40118	4.0
603.64813	1.8
761.35229	1.7
761.48792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01866	2.9
55.05517	23.6
57.03439	17.2
57.07068	2.2
61.02932	5.1
61.97935	0.9
63.34369	1.0
65.03926	1.8
65.61121	0.9
66.68394	0.9
67.05506	58.7
69.03419	4.4
69.06720	1.5
69.07068	20.2
69.81264	5.7
71.04987	5.1
71.08629	1.2
73.02922	1.9
75.04831	0.9
79.05060	2.1
79.05495	32.3
80.05822	1.4
81.03422	52.9
81.07060	62.4
83.04979	13.8
83.08141	1.8
83.08623	28.8
85.02911	22.9
85.06528	2.5
86.09698	2.4
91.05486	36.2
93.07049	25.6
95.04970	19.7
95.08611	38.0
97.02883	4.4
97.06542	5.7
97.10180	5.5
98.20799	1.4
98.21353	2.0
99.08078	3.1
105.04507	1.1
105.06374	1.9
105.07037	23.2
107.04963	6.9
107.08602	14.2
109.06520	3.2
109.10167	15.4
111.04478	2.0
111.08094	9.1
113.05963	1.9
117.07055	2.3
119.08582	20.5
121.06498	1.3
121.10159	14.1
123.08047	3.2
123.11709	5.6
125.00034	1.3
125.09607	2.3
127.03890	1.1
129.07008	9.3
131.08566	11.8
131.81891	1.1
133.06490	2.8
133.10141	14.1
135.11664	4.6
137.09602	3.4
137.13298	2.0
141.07004	1.0
142.07750	2.3
145.10074	2.6
147.08018	2.9
147.11694	16.9
149.09636	4.8
149.13264	1.9
157.10129	13.9
161.13187	2.0
162.99120	1.1
163.01558	1.1
165.12762	2.8
175.11194	13.9
175.14798	1.8
184.07323	6.5
185.19249	1.1
186.98045	1.0
193.12248	40.2
194.12590	1.7
211.13301	69.2
230.26247	1.0
245.22678	2.9
263.23651	4.0
267.15958	15.9
285.16971	76.8
286.17233	1.2
309.06580	1.1
335.25775	2.5
337.27374	70.6
338.27753	2.4
360.61099	1.1
455.35129	1.1
489.35825	4.9
529.38940	14.5
535.56683	1.1
547.39941	100.0
548.40161	6.3
744.45349	10.9
745.42249	1.7
746.78308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01870	5.3
55.05262	1.1
55.05513	19.4
57.03440	15.1
57.07069	2.2
60.08161	1.5
61.02913	1.8
65.03939	3.6
67.05509	64.3
69.03416	4.2
69.06728	1.1
69.07072	21.2
69.20118	1.0
71.01334	3.3
71.01972	1.9
71.04990	5.5
73.02900	1.0
79.05497	54.3
81.03432	9.3
81.07063	52.5
83.04994	13.7
83.08621	9.9
85.02909	4.5
85.06554	5.8
86.09705	9.9
87.04510	0.8
91.05483	32.7
93.07050	64.2
95.04972	10.2
95.08610	18.1
97.02887	3.0
97.06529	20.1
97.10183	11.0
98.98459	1.1
99.04472	1.5
99.08080	3.1
105.04521	0.9
105.07036	19.1
107.04295	0.9
107.04935	4.8
107.08601	40.9
109.02895	1.3
109.06504	3.2
109.10159	9.8
111.08083	4.3
115.05448	1.1
117.07025	11.6
119.08583	16.7
121.06516	3.6
121.10152	12.7
123.08062	2.6
123.11704	2.3
125.00011	7.5
125.09612	3.5
129.06961	3.4
130.07735	1.6
131.08572	10.5
133.06622	1.0
133.10115	14.1
135.08049	2.6
135.11687	43.4
137.09613	4.2
139.07520	1.2
139.11188	1.2
141.07040	1.2
143.08524	2.4
145.10127	13.4
147.11691	5.3
149.09616	7.3
149.13260	7.8
150.46161	0.9
151.11131	2.0
153.12781	2.4
155.08611	1.1
157.10126	2.2
159.11719	9.3
161.09543	1.4
161.13213	1.9
163.11180	8.8
171.11646	2.1
173.13272	2.8
175.11076	1.7
177.12813	3.0
179.14296	1.5
181.12245	10.6
184.05760	1.8
184.07344	29.5
185.13200	1.1
189.11205	1.1
195.13826	4.9
197.13374	1.1
199.13289	2.5
213.14926	1.2
227.12823	1.4
237.15005	1.3
239.17963	1.1
247.20535	1.1
255.15927	62.9
256.16196	1.6
257.18979	4.2
269.17490	12.7
275.20071	16.2
296.97839	1.0
349.23709	8.3
367.24796	1.5
413.21289	1.2
435.27386	19.7
449.28998	100.0
450.29428	4.8
511.24121	1.0
529.35315	17.7
547.36145	4.3
593.32941	2.2
650.34326	1.1
726.41467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05046	0.8
58.06363	0.1
58.06598	0.3
59.07380	0.2
60.08168	6.8
67.05511	0.7
69.07067	0.2
71.07377	3.6
71.43632	0.1
71.44601	0.2
73.16356	0.1
79.05482	0.4
81.07050	0.5
85.06479	0.1
86.09710	32.1
87.10031	0.3
91.05482	0.5
93.07046	0.5
95.04984	0.2
95.08636	0.2
98.98464	3.7
100.12913	0.1
104.10064	0.2
104.10750	3.0
105.07029	0.3
107.08604	0.2
109.10203	0.2
112.63141	0.1
119.08621	0.2
121.10170	0.2
125.00011	22.0
133.10101	0.3
135.11702	0.1
143.01077	0.4
149.31477	0.1
163.11269	0.2
172.71277	0.1
184.07350	100.0
185.07666	0.7
255.16005	0.4
271.45752	0.1
275.20193	0.2
275.59271	0.1
529.35315	0.4
547.36755	0.3
726.43439	0.2
744.44452	6.8
745.44434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05040	0.7
57.03427	0.2
58.06344	0.2
58.06621	0.5
59.07386	0.2
60.08165	7.0
67.05514	0.9
69.07061	0.2
71.07374	4.0
71.08643	0.1
71.56992	0.1
77.19482	0.1
77.22044	0.1
79.05498	1.1
81.03413	0.3
81.07047	0.9
85.02910	0.1
86.09707	32.6
87.10030	0.3
91.05486	0.5
93.07062	0.9
94.95972	0.1
95.04961	0.2
95.08593	0.3
97.06540	0.2
97.10205	0.2
98.98460	3.6
104.10748	3.4
105.07017	0.3
107.08554	0.6
109.06501	0.1
109.10176	0.3
117.07024	0.2
119.08591	0.4
119.51357	0.1
121.10168	0.4
125.00008	22.6
131.08588	0.2
133.10170	0.3
135.11694	0.6
143.01019	0.2
145.10124	0.4
159.11711	0.2
166.02760	0.2
170.39146	0.1
184.07344	100.0
185.07661	0.8
196.82339	0.1
255.15941	0.7
257.18845	0.2
269.17612	0.2
275.19946	0.2
320.39459	0.1
419.16806	0.1
435.27493	0.2
442.46335	0.1
449.28903	0.6
468.23761	0.3
529.35327	0.3
726.42975	0.4
744.44440	8.7
745.44458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01860	7.4
55.05516	28.7
57.03186	2.1
57.03442	22.6
57.07060	2.9
60.08146	4.2
61.02923	2.3
65.03947	1.9
67.05507	82.1
69.03417	4.9
69.06721	2.4
69.07070	34.4
70.70021	3.6
71.01340	5.3
71.04978	7.2
79.05494	72.1
81.03419	16.8
81.07059	65.7
83.04985	17.7
83.08612	12.0
85.02888	4.7
85.06541	5.7
86.09711	21.9
91.05486	48.4
93.07049	87.3
95.04957	11.7
95.08615	21.9
96.61577	1.9
97.02888	2.8
97.06536	20.4
97.10178	16.4
98.98452	2.8
99.04481	2.9
99.08092	5.1
103.05492	2.4
104.72736	1.5
105.07042	22.1
107.04946	8.9
107.08598	52.2
109.06505	5.2
109.10148	11.5
111.08080	6.2
113.42504	1.9
115.05450	2.1
117.07016	17.4
119.08575	20.5
121.06483	5.0
121.10151	15.8
123.08036	3.3
125.00008	12.8
125.09619	6.0
127.03923	3.4
129.06984	3.6
131.08574	16.2
133.10114	17.9
135.08093	3.6
135.11694	60.0
137.09590	2.3
143.08568	3.5
145.10123	17.7
147.11664	6.8
149.09627	13.1
149.13272	9.5
151.11150	2.1
153.04480	1.9
155.08534	2.3
157.10110	3.4
159.11707	12.1
161.13306	2.8
163.11192	16.3
169.10112	2.2
171.11641	3.6
173.13277	6.0
177.12759	2.8
179.14310	2.1
181.12231	15.7
183.11620	2.2
184.07352	57.1
189.11263	2.0
195.13766	6.1
227.12775	5.4
229.19585	2.4
239.17982	4.1
247.20799	1.9
255.15927	82.3
257.19012	8.9
266.23291	2.1
269.17499	15.8
275.20029	25.5
331.22678	2.3
349.23730	20.0
355.91248	1.6
425.25296	2.3
433.29715	2.5
435.27487	28.9
449.28998	100.0
450.29318	3.6
489.32144	2.4
490.66275	1.8
529.35266	30.6
547.35913	7.9
548.33710	1.9
581.22772	1.8
593.33051	3.0
691.18506	1.9
745.61206	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	743.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.81610	0.6
55.05509	1.6
57.03427	1.9
61.02919	4.4
65.03927	0.9
66.18295	0.6
67.05505	5.8
69.03431	3.5
69.07069	1.8
71.01348	0.7
71.04977	1.0
71.57951	0.7
73.02923	4.2
76.41816	0.6
79.05491	6.3
81.03417	2.4
81.07061	5.7
83.08624	1.6
85.02916	4.0
91.03951	3.4
91.05479	5.2
93.07031	4.5
95.04976	1.4
95.08608	3.6
97.02882	4.9
97.10132	0.8
99.04451	1.3
101.02376	1.5
105.07040	2.7
107.08601	2.5
109.10146	1.7
119.08604	2.2
119.77081	0.6
120.89959	0.7
121.10185	1.6
127.03904	1.2
131.08600	1.5
133.10150	1.0
135.11679	1.0
145.10185	1.4
147.11705	1.0
149.13217	0.6
159.59476	0.6
161.13225	0.9
164.43538	0.6
171.11736	0.8
179.14209	0.7
185.04077	0.7
207.38408	0.7
243.08429	1.6
247.13046	1.7
300.79596	0.7
305.21307	0.6
362.67944	0.6
439.22375	0.7
465.21030	2.7
519.29083	6.1
545.38110	1.1
702.98169	0.8
743.43408	100.0
744.43719	5.6
746.97894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.202
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
55.05500	1.5
57.03439	9.3
57.30402	0.7
61.02909	2.9
63.46199	0.7
69.03427	9.2
71.01341	1.7
71.04992	16.3
71.57735	1.0
73.02918	13.1
75.04465	1.4
81.03394	0.7
83.04980	7.9
85.02902	26.3
87.04453	1.4
91.03934	1.3
95.04947	0.8
97.02894	12.4
98.20891	0.7
99.04444	1.6
107.04929	0.8
108.85392	0.7
109.02885	1.3
109.06487	0.8
111.00761	0.9
111.04445	6.4
115.03923	5.1
117.05525	1.5
127.03894	0.9
128.60417	0.8
129.05475	7.7
133.04948	1.2
137.02342	4.4
138.91301	0.7
147.06520	3.6
151.58633	0.8
153.01813	7.4
163.06099	1.3
165.01839	2.9
167.03548	0.9
171.06549	0.7
195.02823	0.7
201.05528	1.6
217.04990	0.8
225.07622	2.8
229.04890	3.8
243.08731	1.3
245.04498	0.9
247.05995	1.3
257.04431	2.8
285.03998	1.0
303.04984	100.0
304.05289	2.3
315.04819	2.1
318.03918	1.2
319.00769	1.1
319.04486	19.0
320.04803	1.3
329.02905	1.4
331.04437	8.1
334.69617	1.0
343.04370	3.9
345.06192	2.5
357.05899	1.3
361.05518	16.5
369.06006	1.7
373.05627	0.9
385.05457	4.0
411.07071	2.7
429.07993	5.2
447.09116	3.9
449.10828	2.2
465.10309	14.8
597.14154	2.2
611.16187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
54.78657	2.6
55.01857	4.1
55.05507	31.6
57.03423	13.8
57.07063	6.6
61.02913	5.1
65.03930	4.5
66.96329	3.1
67.05505	89.2
69.03419	5.5
69.07072	31.3
71.02757	4.6
71.03076	5.3
71.04987	6.4
72.33738	2.8
73.55977	2.8
79.05489	78.1
81.03419	11.3
81.07056	100.0
83.04965	8.2
83.08617	19.2
85.02898	7.0
85.06521	3.9
86.09692	13.7
91.05481	80.0
93.07044	84.2
95.04959	11.7
95.08063	3.0
95.08613	40.8
97.06532	14.2
97.10177	4.3
99.08096	4.1
101.29450	3.1
105.06387	4.3
105.07030	60.5
107.04938	4.6
107.08590	55.4
109.06503	6.2
109.10152	14.6
111.08098	3.3
115.05434	3.9
117.07011	24.5
119.08585	48.9
120.38578	3.1
121.06490	4.5
121.10140	30.6
122.92519	2.9
123.08093	4.6
123.11684	8.9
123.32436	3.3
125.00019	7.8
129.07011	8.8
131.08566	36.1
133.10133	56.8
135.08035	3.6
135.11714	23.6
143.08575	10.5
145.10144	18.3
147.11699	30.3
149.09666	4.5
149.13240	23.6
157.10112	11.6
159.11694	25.5
161.13260	24.2
162.55597	2.9
171.11713	11.9
173.13271	10.6
174.95897	2.7
175.14835	7.1
177.12878	4.5
183.11703	5.2
184.07335	44.7
185.13242	4.6
187.14804	3.4
195.13756	21.5
199.14737	4.5
204.09056	3.6
231.21077	5.4
241.19545	20.0
259.20572	64.6
260.21045	4.1
267.15912	10.6
269.17468	82.2
315.23123	9.3
333.24246	84.5
335.25742	7.5
344.61783	3.6
435.32492	6.6
453.33688	4.2
463.52924	3.4
527.37317	52.3
545.38342	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01888	1.3
55.05518	14.5
57.03173	1.5
57.03435	10.3
61.02919	1.6
65.03935	2.2
67.05165	2.1
67.05509	33.3
68.48501	1.0
69.03437	2.4
69.07070	9.5
69.71197	1.3
70.12914	1.2
70.65626	1.1
70.65985	3.6
71.04988	3.3
74.43038	1.2
79.05500	25.4
81.03423	45.7
81.07061	36.5
83.04974	8.9
83.08623	20.2
85.02922	14.7
86.09713	3.7
91.05485	23.6
93.07051	29.4
95.04977	16.5
95.08607	23.8
97.02921	1.8
97.06528	3.9
97.10171	3.8
98.21157	1.8
99.08144	1.3
100.23753	1.2
105.07044	14.8
105.36528	1.3
107.04949	2.8
107.08595	14.3
109.06550	3.0
109.10164	8.4
111.08082	5.6
117.07030	3.0
119.08591	15.1
121.10130	12.0
123.11732	3.1
125.00004	2.1
129.07011	4.9
131.08578	9.1
133.06479	2.0
133.10156	8.2
135.11716	5.9
137.09668	1.8
145.10139	4.5
147.08034	2.9
147.11713	10.7
149.09633	3.6
149.13281	3.3
151.11194	1.5
154.75864	1.3
157.10138	10.3
159.11690	2.2
161.13286	1.4
163.11288	1.8
165.12767	1.2
173.13313	1.8
175.11212	8.0
184.07356	15.6
187.14761	1.6
193.10632	2.2
193.12277	26.6
211.13310	43.3
229.14357	1.5
238.28493	1.2
243.21068	2.6
261.22168	5.5
267.15826	6.8
283.15268	1.5
285.16980	40.6
286.17334	1.4
296.16843	1.1
317.24753	1.9
335.25836	50.1
336.26059	3.3
453.33527	1.5
527.37158	6.6
545.38373	100.0
546.38928	5.7
634.63904	1.3
720.54211	1.4
774.56152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01848	1.7
55.05254	1.4
55.05509	15.4
57.03444	10.7
57.07068	1.6
60.08173	1.0
61.02924	2.5
65.03925	2.8
67.05510	37.4
67.81294	0.9
69.03432	3.1
69.07072	13.4
71.04970	4.1
73.02923	1.6
79.05498	34.1
81.03424	34.7
81.07063	40.0
81.59911	1.0
83.04992	8.0
83.08629	15.8
85.02917	15.2
85.06557	1.7
86.09689	4.5
91.03966	1.4
91.05482	26.5
93.07054	33.0
95.04976	16.3
95.08615	29.5
96.08929	1.4
97.02895	2.9
97.06512	3.5
97.10172	4.4
98.20807	3.7
98.21498	2.5
102.03506	0.9
105.04501	1.1
105.07042	16.6
107.04961	3.3
107.07882	1.1
107.08592	19.4
109.06496	4.5
109.10163	11.7
111.04417	1.1
111.08085	7.7
113.05979	2.3
117.06999	3.2
119.08584	13.9
121.10149	17.2
123.08038	1.9
123.11711	2.1
124.99992	4.1
129.06992	5.2
131.08574	10.3
133.06461	1.9
133.10139	12.3
134.91632	1.0
135.07993	1.3
135.11711	8.8
136.11983	1.6
137.09634	1.3
137.13281	1.2
139.07425	1.0
142.07823	1.1
145.10129	4.5
147.07986	1.5
147.11699	9.0
149.09593	3.9
149.13258	2.8
157.10159	7.5
159.11688	2.6
161.13226	2.4
163.11215	2.3
163.14851	1.8
165.12733	2.8
173.13330	2.3
175.11209	8.9
184.07349	18.4
187.14828	1.2
193.12248	28.3
211.13301	33.2
227.12729	3.1
228.13043	2.3
243.21101	2.1
261.22141	5.7
265.25958	1.2
267.15939	8.1
282.77429	1.1
283.15454	2.7
284.15796	2.2
285.16956	34.9
317.24823	1.3
335.25806	65.4
336.26129	3.3
337.26672	1.7
527.37158	6.7
544.37305	1.5
545.38385	100.0
546.38495	5.8
742.44110	1.5
770.72180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01873	4.6
55.05517	23.2
56.79464	1.9
57.03442	11.6
57.07070	5.6
59.04990	1.7
60.08165	2.6
61.02908	3.2
65.03932	4.7
67.05508	71.4
67.05871	3.8
69.07073	23.4
70.18457	6.3
71.04994	5.3
79.05497	53.2
81.03432	7.0
81.07059	84.0
82.43855	1.8
83.05000	9.2
83.08631	15.7
85.02913	3.3
85.06551	6.3
86.09716	13.7
91.05485	68.8
93.07051	79.8
95.04985	9.5
95.08606	37.7
97.06525	10.4
97.10180	4.1
98.20913	3.0
99.08101	5.8
105.07038	57.8
107.08598	48.2
109.06536	4.2
109.10173	10.3
111.08074	9.0
113.06002	1.8
117.07026	21.1
119.08585	46.7
121.06519	3.6
121.10148	28.6
123.08054	2.8
123.11697	4.8
125.00021	7.1
125.09617	3.0
128.06206	3.9
128.39912	1.7
129.07027	9.7
131.08585	27.3
133.10139	40.5
135.08038	4.8
135.11708	20.1
139.11122	1.9
140.92789	1.9
143.08591	10.4
145.10126	20.5
147.11691	41.1
149.09669	3.2
149.13251	34.8
157.10095	9.3
159.11694	31.7
161.13269	31.0
163.11205	3.3
163.14920	2.7
171.11702	10.3
173.13231	9.7
175.14836	13.7
177.12772	6.1
184.07349	38.6
185.13280	6.7
187.14795	4.1
189.12712	3.6
195.12041	1.9
195.13777	10.3
199.14832	7.0
213.16447	2.4
225.05702	1.8
231.21187	7.8
241.19551	26.6
259.20590	73.7
260.20963	2.5
267.15994	11.7
269.17487	100.0
272.20047	2.0
275.20004	2.8
275.22870	2.3
315.23175	7.4
333.24258	60.7
417.31537	2.6
421.92105	1.9
435.32462	6.5
453.33600	5.4
500.65695	1.9
501.53741	2.1
509.36554	2.6
527.37341	65.2
528.37634	4.6
545.38342	16.5
710.43054	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74374	1.7
53.03930	4.4
55.01873	2.2
55.05257	1.9
55.05510	26.5
57.03193	1.7
57.03441	20.9
59.04980	1.6
61.02916	3.9
65.03922	3.0
67.05505	62.4
69.03410	5.6
69.07069	19.1
69.33696	7.4
69.34115	7.5
71.04981	5.4
73.02913	1.9
77.74729	1.6
79.05061	3.0
79.05495	53.0
81.03420	58.7
81.03904	3.1
81.07059	61.6
83.04978	14.7
83.08619	25.6
85.02904	26.0
85.06540	2.1
91.05479	46.3
93.07049	45.0
95.04974	29.4
95.08054	2.5
95.08612	34.6
97.02877	5.0
97.06516	4.0
97.10152	5.3
98.21102	8.2
99.08088	3.0
105.06374	2.6
105.07034	31.2
107.04950	4.5
107.07944	2.3
107.08598	24.3
109.06516	5.7
109.10167	16.3
111.04440	1.9
111.08052	10.0
113.05961	3.0
117.07016	7.2
119.08591	23.6
121.06594	1.9
121.10152	21.8
122.10458	1.7
123.08055	3.8
123.11690	6.4
129.06993	11.5
131.08562	15.7
133.06487	2.8
133.10138	16.3
135.11678	11.5
137.09634	3.6
142.07758	3.6
145.10123	6.9
147.08026	2.9
147.11696	18.2
149.09595	7.0
149.13249	4.3
157.10129	11.9
159.11694	4.6
161.13220	3.3
165.12733	3.3
173.13293	3.4
175.11182	19.0
193.12251	50.7
211.13307	76.8
212.13654	2.1
243.21030	3.3
261.22101	11.2
267.15942	15.0
285.16980	88.7
317.24783	3.1
335.25800	85.5
336.26099	2.9
435.32532	2.5
453.33206	2.0
527.37396	10.7
528.37476	2.1
545.38348	100.0
546.38483	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01870	3.6
55.05261	1.7
55.05513	25.3
57.03190	1.2
57.03441	18.8
57.07070	1.6
61.02920	5.3
65.03933	3.0
67.05507	65.9
69.03423	4.7
69.07069	18.1
71.05008	5.4
71.08660	0.9
71.36873	1.5
71.37218	1.4
73.02916	1.7
79.05494	51.0
81.03419	57.3
81.07059	65.0
81.87322	1.1
83.04983	13.0
83.08629	23.7
85.02417	1.8
85.02907	22.1
85.03418	1.6
85.06549	3.1
86.09716	3.2
87.10036	1.2
91.03946	1.8
91.04900	1.1
91.05484	48.4
93.07049	52.1
94.32870	1.1
95.04973	28.3
95.08608	41.5
97.02888	4.4
97.06538	5.8
97.10159	5.9
99.08089	1.3
105.04529	1.0
105.07031	27.5
107.04949	4.7
107.08599	25.9
109.06528	3.8
109.10153	12.8
111.04456	1.7
111.08080	7.7
113.06003	2.4
115.05426	1.4
117.07024	4.5
119.08584	22.6
119.11252	1.1
121.06493	2.2
121.10150	24.1
123.08073	2.6
123.11712	5.7
125.00035	1.4
125.09637	2.5
127.07610	1.2
127.50311	1.0
129.07045	8.8
131.08577	18.0
133.06470	1.9
133.10155	16.0
135.11673	10.8
137.09599	2.2
137.13231	2.4
139.11188	1.1
142.07745	2.6
145.10120	7.2
146.10843	1.1
147.08098	2.2
147.11691	17.4
149.09624	4.2
149.13251	4.5
157.10127	10.9
159.11670	3.8
161.13303	2.2
163.14867	1.5
165.12781	3.4
173.13289	4.5
175.11198	11.4
175.14746	2.0
177.12506	1.3
184.07376	13.9
185.07732	2.2
185.13194	1.6
187.14813	1.2
193.12241	39.1
205.51074	1.1
211.13301	49.3
212.13605	1.2
243.20996	3.1
261.22122	12.3
267.15942	12.9
269.17456	1.9
285.16974	49.8
317.24554	3.3
335.25803	91.1
336.26190	3.1
527.37372	12.7
545.38361	100.0
546.39069	3.6
593.99481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.3
54.11380	1.1
55.01872	8.7
55.05514	19.9
57.03442	11.5
57.07062	3.6
59.05029	1.2
60.08138	1.7
61.02925	2.4
65.03933	3.6
66.34434	1.3
67.05507	76.9
69.03425	5.3
69.07067	23.1
70.93798	1.6
70.94131	2.1
71.01354	1.4
71.04993	6.7
71.49828	1.3
73.02916	2.4
73.86835	1.1
74.33449	1.2
77.03902	1.2
79.05495	58.2
81.03412	9.4
81.07059	61.1
83.04983	15.8
83.08636	6.8
85.02897	2.9
85.06554	6.9
86.09251	1.4
86.09718	10.8
91.05484	56.0
92.90964	1.2
93.07053	66.1
95.04965	13.6
95.08614	18.6
97.02905	2.2
97.06536	14.7
97.10164	9.8
98.21202	1.9
98.98476	1.5
99.04457	3.0
99.08093	2.1
100.90833	1.2
105.04501	1.3
105.07032	45.0
107.04967	9.6
107.08602	52.9
109.02930	1.3
109.06519	8.4
109.10166	50.8
111.04507	1.8
111.08076	4.4
113.06004	1.9
115.05429	1.4
117.07025	9.7
119.08585	17.6
121.06504	7.5
121.10170	11.8
123.08048	3.9
123.11715	8.5
124.99989	7.7
125.09607	2.7
127.07562	2.3
128.06186	1.9
129.07014	4.3
131.08543	8.3
133.06467	4.7
133.10135	62.7
134.10506	1.8
135.08040	9.3
135.10677	2.2
135.11699	35.2
137.09610	2.8
143.08574	4.9
145.06532	2.4
145.10115	13.9
146.08273	1.3
147.08096	5.1
147.11665	5.1
149.09631	5.7
149.13245	1.5
151.11183	28.8
153.12811	2.0
155.08598	1.5
157.10117	3.2
159.08066	1.9
159.11697	2.9
161.09612	7.9
161.13277	1.9
162.88649	1.3
163.11224	6.8
165.09261	1.6
169.10147	1.6
169.12265	5.6
171.11732	3.4
173.09589	1.8
173.13309	1.7
175.11203	4.0
175.14722	1.4
177.09152	2.5
179.10666	2.6
181.12308	7.5
184.07347	33.4
185.13280	1.9
189.12708	2.0
191.10867	1.1
195.11826	1.3
201.12651	1.1
215.12796	4.9
227.17894	1.2
245.19090	4.3
251.12813	4.3
253.14362	100.0
254.14691	2.6
255.15851	54.9
259.20551	1.6
260.58688	1.7
263.20056	3.8
269.17413	1.6
273.18533	28.3
275.20074	1.4
291.19547	31.0
309.20593	2.8
347.22238	9.4
365.23184	21.4
371.40640	1.3
433.26047	2.2
449.25366	4.0
451.20868	2.7
451.26892	44.1
465.28220	1.6
527.33447	10.3
541.85938	1.5
545.34705	67.0
546.34869	3.1
724.45032	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43514	1.0
55.01875	5.3
55.05514	16.8
57.03436	9.4
67.05166	1.6
67.05506	21.5
69.03423	3.9
69.07065	5.7
69.38023	9.9
71.04986	4.7
72.37357	1.0
75.06361	1.0
79.05496	25.7
81.03421	52.1
81.07061	20.1
83.04990	6.4
83.08623	17.7
85.02896	2.3
85.06555	1.3
85.94436	1.0
91.05480	19.2
93.07047	19.9
95.04974	21.7
95.08611	9.4
97.02880	1.6
97.06522	3.9
97.10172	16.5
98.20995	4.3
99.08061	1.5
101.41349	1.1
101.72525	1.0
103.05451	1.6
105.07031	16.1
107.04966	19.5
107.08606	14.2
109.06531	16.1
109.10164	5.8
111.04460	2.0
111.08073	5.7
115.05474	1.9
117.07016	6.0
119.08587	10.8
120.20720	1.0
121.06507	12.4
121.10142	11.4
123.04443	2.2
123.08055	6.6
125.09622	12.0
129.07024	9.9
131.04889	1.1
131.08571	12.4
133.06516	5.7
133.10141	4.2
135.08067	8.0
135.11690	1.9
137.05991	1.5
137.09668	1.3
139.07457	1.2
139.11197	2.9
141.06960	2.0
142.07736	1.9
143.08519	2.7
145.06483	6.4
145.10117	4.6
147.04408	1.9
147.08044	5.4
147.11710	7.9
149.09648	5.7
151.07468	1.4
153.09096	1.9
153.12698	1.4
155.08516	2.1
157.10127	9.0
159.08052	2.4
159.11674	2.1
161.05917	1.8
161.09625	2.5
163.11200	3.9
165.12729	2.1
167.07074	1.8
167.08537	1.3
167.10675	1.8
169.10071	1.9
171.08025	1.3
171.10210	1.4
173.09669	1.5
173.13245	4.4
175.11200	6.6
177.12782	1.9
183.11639	1.4
185.13266	1.2
187.11104	2.3
187.14786	1.7
189.11191	6.5
189.12770	2.2
191.10625	1.2
191.14307	3.5
193.12231	15.5
195.08026	1.4
195.11757	1.3
197.13373	1.6
199.11154	2.3
201.12718	1.3
205.12213	2.0
205.86855	1.0
211.13219	2.2
215.14351	2.2
219.13768	10.4
227.12692	3.0
229.14368	1.2
231.13708	1.4
233.15359	4.5
237.12550	1.4
237.14719	1.6
249.14807	1.4
255.13789	1.5
257.15234	1.7
259.13086	1.4
259.15366	7.6
267.15918	42.6
267.86230	1.2
273.14853	4.9
275.16504	1.7
287.16748	1.4
293.17447	5.7
331.20712	1.3
339.23108	2.1
349.21741	5.4
357.24310	1.9
367.22650	15.2
372.55115	1.1
385.23706	22.8
403.24930	8.1
441.26434	7.9
451.26840	3.9
459.27429	100.0
460.27695	5.6
477.28479	95.5
478.28787	5.6
491.29916	7.5
495.29608	6.7
496.29727	1.4
501.28458	2.5
509.30975	2.8
550.10309	1.1
567.29065	2.7
703.30438	1.2
715.66681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78060	0.1
55.05524	0.4
56.05035	0.6
57.03451	0.2
57.07087	0.2
58.06353	0.3
58.06620	0.7
60.08167	6.1
66.85426	0.1
67.05511	1.0
68.36235	0.2
69.07059	0.4
70.06625	0.2
71.04973	0.1
71.07375	3.3
71.08624	0.2
71.56931	0.2
79.05502	0.8
81.07057	0.9
83.04983	0.2
83.08656	0.2
86.09709	30.2
87.10012	0.2
91.05499	0.9
93.07059	1.0
95.08634	0.7
98.98460	2.8
104.10753	2.2
105.07040	0.5
107.08592	0.4
109.10167	0.3
116.43168	0.2
117.07045	0.2
119.08568	0.4
121.10156	0.3
125.00010	19.2
129.07030	0.2
131.08629	0.2
133.10139	0.3
135.11734	0.2
137.09657	0.1
143.01091	0.2
145.10075	0.3
147.11714	0.4
166.02666	0.2
167.80980	0.1
184.07349	100.0
185.07722	0.8
222.08888	0.2
281.17465	0.3
283.15463	0.2
428.94864	0.2
543.37012	1.8
650.43896	9.4
651.44019	0.3
722.44873	0.3
740.35291	0.3
740.47040	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	740.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78060	0.1
55.05524	0.4
56.05035	0.6
57.03451	0.2
57.07087	0.2
58.06353	0.3
58.06620	0.7
60.08167	6.1
66.85426	0.1
67.05511	1.0
68.36235	0.2
69.07059	0.4
70.06625	0.2
71.04973	0.1
71.07375	3.3
71.08624	0.2
71.56931	0.2
79.05502	0.8
81.07057	0.9
83.04983	0.2
83.08656	0.2
86.09709	30.2
87.10012	0.2
91.05499	0.9
93.07059	1.0
95.08634	0.7
98.98460	2.8
104.10753	2.2
105.07040	0.5
107.08592	0.4
109.10167	0.3
116.43168	0.2
117.07045	0.2
119.08568	0.4
121.10156	0.3
125.00010	19.2
129.07030	0.2
131.08629	0.2
133.10139	0.3
135.11734	0.2
137.09657	0.1
143.01091	0.2
145.10075	0.3
147.11714	0.4
166.02666	0.2
167.80980	0.1
184.07349	100.0
185.07722	0.8
222.08888	0.2
281.17465	0.3
283.15463	0.2
428.94864	0.2
543.37012	1.8
650.43896	9.4
651.44019	0.3
722.44873	0.3
740.35291	0.3
740.47040	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	742.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18447	0.1
55.05510	0.7
56.05034	0.6
57.03431	0.4
58.06622	0.4
60.08165	5.4
61.12056	0.2
62.27283	0.2
64.06599	0.1
67.05505	1.1
67.09482	0.1
68.61637	0.2
69.07072	0.4
70.01918	0.4
70.02328	0.4
70.06590	0.2
71.07374	3.0
71.20454	0.2
73.02942	0.2
74.85754	0.1
79.05489	1.1
81.03420	1.4
81.07063	1.2
83.04981	0.4
83.08617	0.5
86.09707	29.1
87.10043	0.2
91.05489	0.7
93.07036	1.0
95.04964	0.7
95.08615	0.6
97.02884	0.2
97.06517	0.2
98.21190	0.5
98.98470	2.8
104.10744	2.7
105.07037	0.8
107.04925	0.3
107.08602	0.6
109.02911	0.2
109.06593	0.2
109.10157	0.5
111.04465	0.3
117.07015	0.4
119.08632	0.4
121.06496	0.2
121.10128	0.4
123.08102	0.3
125.00006	18.3
125.09610	0.2
129.06993	0.3
131.08568	0.5
133.06487	0.2
133.10130	0.5
135.11742	0.2
137.05981	0.2
142.29724	0.2
143.01028	0.2
145.10135	0.3
147.11716	0.3
149.09555	0.2
151.07576	0.3
157.10143	0.2
161.06007	0.2
161.09544	0.2
167.06996	0.4
175.11220	0.3
184.07341	100.0
185.07677	0.7
191.10678	0.2
193.12268	0.5
209.11613	0.3
211.13226	0.3
227.12781	0.2
267.15915	0.8
283.15234	0.4
285.16858	0.3
301.16394	0.3
385.23718	0.2
400.21497	0.2
459.27353	1.7
477.28372	1.1
527.28693	0.2
567.16846	0.2
642.34015	13.2
643.34564	0.9
709.42987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01873	11.1
55.05511	31.5
55.05772	1.3
57.03439	20.3
57.03700	0.7
57.07076	3.8
59.05000	3.5
61.02926	8.1
62.77724	0.6
65.03942	4.0
67.05505	72.8
67.06035	1.9
68.05797	1.0
69.03421	4.2
69.07065	17.6
71.01321	1.5
71.04996	5.2
71.08616	1.1
71.56952	0.7
73.02872	2.4
73.06520	0.8
77.03934	1.0
78.98481	0.7
79.05492	61.8
81.03420	13.8
81.07056	74.8
83.01342	10.0
83.04981	14.0
83.08619	18.8
85.02902	11.6
85.06519	3.1
87.04411	0.7
91.03968	3.0
91.05480	37.2
93.07044	75.7
94.07347	1.4
95.04976	12.8
95.08605	51.1
96.08968	0.6
97.02898	6.2
97.06525	7.2
97.10171	5.2
98.21210	0.8
99.04451	3.6
99.08073	1.3
103.05424	1.7
105.04478	1.0
105.07026	27.3
107.04306	0.6
107.04963	10.5
107.08592	39.8
108.08863	0.8
109.02817	0.8
109.06514	9.9
109.10152	20.9
110.10513	0.8
111.04421	3.4
111.08070	4.4
113.09584	1.0
115.05441	1.4
117.07016	15.1
119.08580	21.7
121.06495	4.3
121.10142	28.8
122.10465	0.8
123.04413	0.9
123.08070	10.0
123.11703	7.9
125.05960	1.9
125.09621	5.0
127.03885	1.1
127.10969	0.7
129.05505	0.8
129.07011	2.9
130.07780	1.9
131.04964	0.6
131.08568	16.8
133.10138	12.5
135.08092	3.0
135.10693	1.5
135.11693	27.4
137.09637	3.2
137.13216	1.9
139.07504	1.5
139.11101	0.8
143.08548	1.8
145.10120	24.9
147.08032	2.4
147.11685	6.7
149.09563	1.5
149.13263	8.3
151.11148	1.7
151.14737	0.8
153.12720	3.7
155.08517	2.8
157.10110	1.7
159.11694	7.5
161.09583	0.9
161.13240	5.3
163.11189	26.9
163.14832	4.3
169.10101	1.2
171.10170	0.7
171.11604	1.4
173.09654	3.4
173.13226	6.8
175.11099	0.7
175.14798	2.1
177.16310	1.4
179.14359	0.9
181.12219	4.9
183.89874	0.8
184.07312	3.3
185.13193	1.1
187.14828	3.4
189.11206	2.6
191.10667	2.9
191.12161	0.6
191.14256	0.7
193.12215	0.9
201.16304	1.2
205.32990	0.7
209.11731	8.4
211.13252	2.0
227.12761	10.4
241.19576	1.0
243.21063	6.3
257.18875	0.6
259.20557	1.4
261.22141	20.3
262.22507	0.8
267.15881	1.9
275.20203	0.8
277.21808	0.9
279.23157	0.9
283.15393	96.4
284.15741	1.6
299.23657	4.6
301.21646	0.9
317.24762	5.5
333.24405	1.7
335.25793	100.0
336.26074	3.7
389.83725	0.7
410.94040	0.6
415.29681	1.3
433.31195	2.2
451.32095	4.0
469.33170	2.0
487.34418	0.8
507.40710	0.6
515.37384	1.0
525.28503	0.7
525.35693	4.5
543.36786	71.5
544.36896	5.1
561.37903	2.1
670.49084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
54.20593	0.7
55.01646	0.8
55.01876	8.1
55.05516	10.7
57.03446	4.3
57.07067	0.7
65.03937	1.5
67.05512	28.8
67.68639	0.7
68.05836	0.8
69.03436	0.7
69.06711	1.3
69.07075	16.1
71.04985	2.3
71.56851	1.2
76.32568	0.7
79.05500	20.2
81.03408	3.0
81.07066	35.0
83.04982	3.9
83.08630	6.6
83.96140	0.6
85.06535	1.3
86.09693	1.0
87.08127	0.7
91.05064	0.8
91.05484	23.6
93.07056	25.6
95.01350	4.5
95.04983	3.9
95.08615	16.0
97.02904	0.8
97.06540	13.7
97.10195	1.6
99.08095	1.3
103.05474	1.1
105.04494	0.7
105.07036	32.3
107.04973	7.1
107.08606	15.1
109.06532	2.5
109.10152	3.5
111.08091	2.0
117.07027	8.0
119.08591	16.6
120.09005	0.8
121.06491	1.7
121.10154	7.6
123.04439	0.8
123.08073	1.6
123.11713	1.4
129.07033	1.7
131.08583	11.0
133.06517	1.0
133.09108	0.9
133.10136	18.5
135.08073	2.1
135.11716	3.9
137.09576	0.8
139.07535	0.9
139.11264	0.8
141.07034	1.1
143.08580	2.0
145.06529	0.8
145.10146	8.0
145.33090	0.7
147.07938	0.7
147.11696	7.0
149.09627	3.1
149.13284	8.2
151.11128	0.7
155.08568	1.8
157.10126	1.8
159.11685	6.9
161.13303	2.1
163.11198	3.0
165.09145	1.3
169.10207	1.2
171.11682	0.9
173.13263	1.6
175.11105	1.0
177.12772	2.8
179.14349	5.1
183.11699	1.4
184.07394	2.2
185.13411	1.0
187.11209	1.5
195.13815	2.7
197.13312	1.9
229.19649	1.0
239.18117	0.9
251.16403	2.0
257.19028	1.7
269.17490	30.3
275.20081	32.8
279.15985	1.6
293.21222	2.3
349.23734	13.4
367.46140	0.8
431.28336	0.9
451.32275	1.3
479.71582	0.8
525.35944	2.7
543.36853	100.0
544.37134	4.8
561.37878	2.8
731.95111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01877	1.6
55.05260	0.9
55.05513	12.7
57.03439	8.0
57.07064	1.8
58.01878	0.6
60.08166	1.5
61.02913	1.5
65.03927	1.6
67.05506	34.5
69.03427	1.8
69.06713	0.9
69.07065	11.2
71.04982	2.2
71.07349	0.8
71.57402	0.9
72.33907	0.6
73.02908	0.8
79.05495	30.2
81.03413	1.9
81.07059	37.4
83.04970	2.8
83.08612	7.4
85.02872	1.2
85.06544	1.1
86.09718	7.2
91.05473	13.4
93.07046	39.4
95.04971	5.1
95.08608	45.0
96.08929	1.4
97.02895	3.0
97.06519	3.3
97.10152	1.5
99.04447	3.0
103.05441	1.4
104.69400	0.6
105.04509	0.8
105.07027	10.6
107.04958	4.9
107.08595	27.9
109.06506	1.3
109.10155	10.3
111.04469	1.1
111.08086	0.7
113.06021	0.6
115.31985	0.6
117.07002	7.0
119.08588	12.5
119.16380	0.6
121.06495	4.5
121.09300	1.3
121.10142	17.3
123.08114	1.0
123.11703	2.3
124.99995	5.7
125.05968	1.9
130.07817	1.0
131.08556	5.4
133.10158	5.3
135.08063	1.4
135.11693	34.8
136.11995	0.7
137.09668	0.7
139.07545	1.2
145.09030	1.4
145.10132	21.2
147.11649	3.1
149.13281	2.2
153.12730	0.7
159.11679	2.4
161.13271	2.6
163.11188	40.3
163.14830	1.1
164.79767	0.6
171.11690	0.7
173.13284	1.0
181.12248	5.8
184.07341	25.8
184.08972	1.4
187.14886	1.1
209.11861	1.6
227.12781	51.2
228.13074	1.0
243.21092	2.1
261.22153	7.1
283.15402	50.5
284.15771	1.2
317.24814	2.7
335.25800	100.0
336.25937	3.4
362.62885	0.8
469.34448	0.9
543.36823	74.2
544.36890	4.0
650.43817	1.4
740.45282	0.9
751.23523	0.8
764.85162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01873	11.1
55.05511	31.5
55.05772	1.3
57.03439	20.3
57.03700	0.7
57.07076	3.8
59.05000	3.5
61.02926	8.1
62.77724	0.6
65.03942	4.0
67.05505	72.8
67.06035	1.9
68.05797	1.0
69.03421	4.2
69.07065	17.6
71.01321	1.5
71.04996	5.2
71.08616	1.1
71.56952	0.7
73.02872	2.4
73.06520	0.8
77.03934	1.0
78.98481	0.7
79.05492	61.8
81.03420	13.8
81.07056	74.8
83.01342	10.0
83.04981	14.0
83.08619	18.8
85.02902	11.6
85.06519	3.1
87.04411	0.7
91.03968	3.0
91.05480	37.2
93.07044	75.7
94.07347	1.4
95.04976	12.8
95.08605	51.1
96.08968	0.6
97.02898	6.2
97.06525	7.2
97.10171	5.2
98.21210	0.8
99.04451	3.6
99.08073	1.3
103.05424	1.7
105.04478	1.0
105.07026	27.3
107.04306	0.6
107.04963	10.5
107.08592	39.8
108.08863	0.8
109.02817	0.8
109.06514	9.9
109.10152	20.9
110.10513	0.8
111.04421	3.4
111.08070	4.4
113.09584	1.0
115.05441	1.4
117.07016	15.1
119.08580	21.7
121.06495	4.3
121.10142	28.8
122.10465	0.8
123.04413	0.9
123.08070	10.0
123.11703	7.9
125.05960	1.9
125.09621	5.0
127.03885	1.1
127.10969	0.7
129.05505	0.8
129.07011	2.9
130.07780	1.9
131.04964	0.6
131.08568	16.8
133.10138	12.5
135.08092	3.0
135.10693	1.5
135.11693	27.4
137.09637	3.2
137.13216	1.9
139.07504	1.5
139.11101	0.8
143.08548	1.8
145.10120	24.9
147.08032	2.4
147.11685	6.7
149.09563	1.5
149.13263	8.3
151.11148	1.7
151.14737	0.8
153.12720	3.7
155.08517	2.8
157.10110	1.7
159.11694	7.5
161.09583	0.9
161.13240	5.3
163.11189	26.9
163.14832	4.3
169.10101	1.2
171.10170	0.7
171.11604	1.4
173.09654	3.4
173.13226	6.8
175.11099	0.7
175.14798	2.1
177.16310	1.4
179.14359	0.9
181.12219	4.9
183.89874	0.8
184.07312	3.3
185.13193	1.1
187.14828	3.4
189.11206	2.6
191.10667	2.9
191.12161	0.6
191.14256	0.7
193.12215	0.9
201.16304	1.2
205.32990	0.7
209.11731	8.4
211.13252	2.0
227.12761	10.4
241.19576	1.0
243.21063	6.3
257.18875	0.6
259.20557	1.4
261.22141	20.3
262.22507	0.8
267.15881	1.9
275.20203	0.8
277.21808	0.9
279.23157	0.9
283.15393	96.4
284.15741	1.6
299.23657	4.6
301.21646	0.9
317.24762	5.5
333.24405	1.7
335.25793	100.0
336.26074	3.7
389.83725	0.7
410.94040	0.6
415.29681	1.3
433.31195	2.2
451.32095	4.0
469.33170	2.0
487.34418	0.8
507.40710	0.6
515.37384	1.0
525.28503	0.7
525.35693	4.5
543.36786	71.5
544.36896	5.1
561.37903	2.1
670.49084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01871	6.8
55.05513	40.5
55.05783	2.9
57.03438	27.4
57.05300	1.0
57.07066	1.3
58.47568	1.1
59.05007	29.7
59.98424	1.1
61.02921	5.1
65.03932	4.4
67.05506	100.0
68.05831	1.6
69.03436	7.3
69.07073	11.9
69.43796	9.3
71.04992	14.9
73.02904	2.0
77.03908	1.4
79.05498	50.5
80.05831	1.9
80.93098	1.2
81.03420	72.5
81.07060	46.6
83.04983	24.6
83.08624	33.5
85.02903	26.2
85.06552	5.3
87.04472	38.8
87.04908	0.8
91.01893	1.0
91.05487	49.3
92.05804	1.5
93.07042	29.1
93.51318	1.1
95.04968	31.6
95.08614	20.0
97.02886	8.9
97.06530	6.5
97.10175	17.7
98.20889	3.2
99.04458	15.2
99.08077	2.2
105.07033	30.1
107.04960	14.4
107.08596	17.6
108.08990	1.0
109.02859	2.5
109.06534	9.1
109.10163	62.2
111.04458	5.7
111.08097	13.2
113.06004	1.7
115.03878	1.5
115.05460	2.5
117.07040	6.4
119.04962	1.2
119.08579	28.5
120.08904	1.2
120.93371	1.2
121.02932	1.2
121.06513	5.2
121.10149	13.2
123.04458	2.2
123.08050	4.1
123.11666	2.2
125.06001	1.6
125.09610	12.7
127.03902	1.7
128.06256	1.5
129.05501	2.3
129.07016	13.1
131.08582	17.2
133.06482	2.6
133.10141	18.3
134.09453	1.2
135.04424	1.3
135.08046	2.4
135.11702	7.0
137.09601	4.6
142.07750	4.6
143.10706	1.5
145.10129	6.6
147.08026	3.6
147.11687	16.4
149.09671	7.7
151.43257	1.1
153.12756	4.7
155.08557	1.4
155.10664	5.9
157.10133	14.0
163.11192	12.3
165.12759	5.0
173.09584	1.9
173.11748	19.3
175.11198	15.4
177.03279	2.2
181.12227	3.8
183.11754	1.5
191.10637	3.5
193.12257	46.8
194.12602	2.2
199.13304	9.5
209.11722	2.2
211.13303	67.1
212.13591	1.9
217.14238	1.5
223.13260	2.4
227.12785	12.0
229.14348	66.0
241.14348	4.6
247.13425	2.8
249.14792	2.2
266.14633	1.2
267.15921	31.0
268.16190	1.5
276.20166	1.2
283.15344	6.4
285.16959	35.6
286.17398	1.9
301.16418	1.6
315.18100	6.5
321.16788	1.2
323.59903	1.1
332.82999	1.3
335.22205	1.5
383.22083	2.1
401.23111	1.9
409.25702	4.9
421.25824	21.4
427.27069	7.8
439.26910	70.4
440.27246	2.1
457.25601	1.2
461.28470	1.3
475.26865	9.1
493.27838	2.8
525.30719	5.5
543.31250	3.6
560.36853	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	738.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01868	2.1
55.05275	2.0
55.05512	12.5
57.03433	7.1
57.07071	4.6
63.06740	1.2
64.86178	1.3
65.03947	2.3
67.05507	49.5
69.03406	2.0
69.07073	9.3
71.08602	1.4
73.22630	1.3
79.05494	55.8
81.03416	6.3
81.07057	43.3
83.04990	8.9
83.08608	8.2
85.02938	1.5
85.06532	1.9
91.05483	39.6
93.07047	44.3
93.52596	1.5
95.04983	10.1
95.08607	28.5
95.09169	2.7
97.06529	4.9
97.10156	3.6
98.20972	7.3
102.12822	3.1
103.06980	1.5
105.07034	23.8
105.07674	2.2
107.04937	3.5
107.08589	20.3
109.06532	4.3
109.10161	10.0
111.47851	1.2
115.05423	1.7
117.07002	5.0
119.08576	18.3
121.06548	1.4
121.10159	11.1
123.08068	3.4
123.11720	3.2
129.06979	7.0
131.08566	5.3
133.10156	9.6
135.11668	7.2
140.25400	1.3
143.08589	4.2
145.10121	6.8
147.11708	20.2
149.13260	2.9
159.11694	2.5
161.09743	2.9
161.13263	5.4
163.14937	2.0
171.11673	10.9
184.07416	2.3
189.12766	4.1
207.13802	13.7
229.22554	2.4
261.22174	4.1
281.17520	26.4
301.16431	2.7
302.16742	2.5
313.27341	2.1
314.27377	1.8
335.25803	51.2
335.29822	2.7
435.10864	1.6
540.39423	1.7
541.38922	100.0
542.39044	4.3
566.74207	1.7
603.66504	1.6
739.44226	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	738.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.6
57.07077	0.3
58.06355	0.2
58.06636	0.4
59.07386	0.2
60.08167	5.7
67.05528	0.2
69.37317	1.0
69.37730	0.3
71.06979	0.2
71.07378	3.3
72.12441	0.1
81.03426	0.4
81.07108	0.2
83.08619	0.2
85.10186	0.2
86.09710	30.0
94.11631	0.1
95.04929	0.1
95.08606	0.2
98.20988	0.5
98.98472	3.2
104.10757	2.2
105.07053	0.1
108.54313	0.1
125.00009	20.4
143.01033	0.2
184.07347	100.0
185.07742	0.7
267.15982	0.6
277.88474	0.2
313.27310	0.7
356.39642	0.1
505.38760	0.4
688.45520	6.6
689.44879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87201	3.1
53.03940	12.6
55.01872	11.6
55.05513	38.3
57.03442	25.7
57.07084	3.5
59.57396	3.2
61.02923	11.4
62.16717	3.4
65.03942	6.3
67.05160	6.1
67.05506	79.4
69.03429	18.8
69.07067	23.6
69.52707	22.3
69.60134	3.1
71.01353	3.9
71.04982	7.6
73.02940	6.0
73.03627	3.7
79.05490	67.1
81.02973	5.4
81.03423	72.2
81.07057	100.0
81.07518	7.3
83.04984	24.3
83.08624	26.8
85.02914	28.4
85.06553	4.7
86.47067	3.3
91.05483	87.4
92.05783	4.6
93.07040	58.0
95.04980	38.6
95.08623	40.0
97.02885	19.7
97.06546	20.7
97.10178	10.6
98.21175	13.5
99.08074	5.5
102.56648	3.5
105.07036	69.3
107.04971	28.1
107.08603	35.9
108.09005	3.7
109.02905	8.1
109.06527	14.0
109.10154	22.2
110.10513	3.3
111.04443	5.2
111.08078	14.6
117.07033	21.7
119.08586	62.7
121.06504	10.9
121.10139	33.5
123.08092	13.1
123.11705	8.2
125.09634	9.0
127.03914	7.5
128.06213	4.4
129.05470	7.2
129.06990	20.0
131.08585	38.4
133.06540	6.9
133.10121	44.0
135.08060	10.2
135.11671	13.9
137.09613	13.2
142.07800	6.3
143.08572	5.7
145.10114	27.1
147.08018	4.0
147.11693	35.4
149.09641	21.0
149.13219	7.0
151.11182	6.6
155.08569	4.2
157.10176	18.8
159.08044	5.4
159.11699	18.3
159.70293	3.1
161.13234	7.4
163.11212	8.8
165.12737	5.6
169.10164	6.6
171.11661	4.2
173.04370	8.3
173.13268	5.7
175.11255	19.6
177.12642	6.0
183.11739	8.1
187.11282	5.4
187.14836	3.7
193.12224	36.2
211.13298	51.1
227.12799	11.3
229.19542	5.4
235.17075	3.8
251.08440	4.5
257.18958	11.8
267.15906	27.5
269.17218	4.7
275.20044	64.6
285.16989	44.8
293.21118	4.8
349.23740	34.3
429.21219	4.2
461.28842	8.4
467.31555	4.2
479.30316	20.9
541.35406	24.8
559.36279	42.3
577.37360	27.8
623.34027	12.1
721.41467	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	738.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	3.2
53.03938	3.1
53.46763	1.0
55.01885	6.0
55.05263	1.7
55.05514	22.9
57.03440	17.4
59.04999	3.0
61.02925	1.7
61.20937	1.1
65.03929	1.7
67.05172	1.5
67.05509	28.0
69.03435	5.6
69.07069	8.0
71.01340	2.2
71.04987	4.8
71.56373	1.6
73.02927	1.7
77.03942	1.0
79.05497	22.9
81.03423	92.9
81.07060	32.4
82.03755	1.5
83.04986	8.0
83.08623	29.7
85.02924	5.5
85.06545	3.5
91.05484	40.0
93.07047	25.4
95.04971	27.8
95.08608	11.5
96.61264	1.2
97.02897	11.3
97.06525	6.3
97.10181	6.9
99.00830	16.2
99.04453	2.3
103.05478	2.2
105.07037	32.5
107.04385	1.4
107.04974	15.6
107.08585	14.4
109.02876	11.6
109.06531	7.1
109.10182	7.4
111.04430	3.9
111.08092	10.7
113.05959	1.2
115.03906	2.5
115.05429	2.7
117.07019	6.1
119.04914	1.8
119.08588	21.3
121.06502	12.1
121.10168	8.1
123.04424	3.6
123.08046	3.6
123.11716	3.5
125.09631	7.1
127.03931	3.8
128.06245	2.4
129.07010	10.6
131.08569	11.5
133.06522	6.2
133.10139	39.7
135.08028	2.3
135.11685	3.8
137.05952	3.3
137.09581	3.3
139.07501	2.7
142.07755	3.0
143.08585	7.5
145.06482	2.2
145.10117	5.2
147.04384	2.0
147.08052	6.0
147.11681	10.0
149.09619	5.4
151.11203	10.9
157.10132	9.8
157.31721	1.0
159.08034	1.6
159.11722	1.7
161.06007	1.3
161.09628	21.8
163.11174	4.7
165.09108	1.1
165.12793	2.4
171.08046	4.8
175.11215	10.2
178.05003	1.9
179.10712	9.5
187.11218	1.3
188.68904	1.0
189.09111	10.4
189.11198	4.9
191.14235	1.7
193.12260	25.0
197.11705	2.6
205.12291	1.2
207.10182	3.6
209.11694	1.4
211.11537	1.3
211.13278	6.8
219.13826	8.6
223.13254	1.0
225.11211	11.9
227.12724	4.0
249.14792	2.2
253.14186	1.1
258.24774	1.2
263.12778	1.9
264.27383	1.0
265.14398	1.2
267.15930	100.0
268.16321	2.5
281.13773	4.5
283.15494	3.4
285.17053	5.7
299.14896	66.8
300.15201	1.5
367.22653	2.2
381.20596	2.0
385.23569	3.1
389.23230	2.9
399.21793	1.8
403.24878	1.4
407.24530	1.2
417.22614	2.0
445.25705	9.6
455.24194	1.9
459.27594	14.9
463.26990	7.2
473.25436	24.3
477.28424	12.9
491.26395	87.2
492.26694	4.5
509.27313	5.5
533.27264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
53.46911	2.1
54.24037	1.9
55.01876	15.8
55.05264	2.5
55.05513	31.0
57.03184	2.5
57.03437	29.8
59.04983	7.5
61.02957	2.0
65.03941	2.9
67.05507	59.2
69.03423	9.1
69.07072	12.9
71.04980	6.0
73.02901	4.5
77.47808	2.3
79.05499	42.7
81.03420	100.0
81.07063	41.6
82.04179	4.1
83.04988	25.8
83.08632	27.3
85.02907	8.8
85.06519	4.5
87.04469	8.8
91.05487	42.9
93.06531	3.4
93.07053	31.6
94.04173	2.3
95.04977	41.1
95.08624	15.6
97.02887	8.5
97.06514	9.8
97.10168	17.6
98.07307	4.4
98.21124	12.0
99.04450	3.8
105.07037	27.0
106.38031	2.4
107.04966	20.9
107.08596	16.3
109.06528	4.6
109.10152	25.7
111.04473	12.1
111.08083	14.4
115.05378	3.6
116.04696	10.6
117.05495	3.2
117.07014	9.7
119.08590	25.5
121.02885	4.6
121.06479	9.0
121.10136	15.1
123.04460	2.0
123.08043	6.8
125.09628	17.8
127.11179	2.5
129.05486	31.1
129.06961	13.0
131.08582	13.8
133.06461	5.6
133.10138	11.7
135.08049	6.0
135.11668	9.0
137.09607	3.0
142.07770	4.2
143.07018	6.4
145.10127	11.9
147.04350	3.3
147.08034	4.4
147.11674	17.2
149.09596	9.5
153.09050	2.8
153.12727	20.9
157.08585	14.4
157.10049	16.7
161.09566	2.5
163.11180	19.1
165.12769	4.4
165.80701	2.5
171.10191	5.1
173.09599	3.1
173.11797	11.4
175.11143	19.9
181.12233	14.5
185.13200	3.0
189.11223	12.8
191.10663	9.3
193.12270	41.1
199.13278	6.0
201.14772	2.1
209.11765	10.9
211.13310	25.7
213.12848	2.7
219.13663	3.4
223.13150	2.7
227.12770	35.3
229.14362	26.8
231.13773	3.0
247.13272	34.2
249.14905	6.3
255.16048	2.8
259.13263	2.9
267.15924	89.0
283.15302	13.5
285.16821	10.6
301.16513	43.6
310.86008	2.3
321.16901	10.2
383.21927	4.5
401.22989	5.7
421.25555	5.6
439.26941	14.7
449.29507	2.4
458.26852	2.8
459.27267	4.7
475.27026	16.1
476.27515	4.0
493.28009	37.4
631.56750	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	739.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.01871	13.3
55.05512	32.2
57.03440	19.4
61.02921	6.5
65.03937	6.0
67.05507	76.4
69.03426	22.4
69.07082	23.4
69.65852	4.1
69.71147	18.3
69.71556	8.4
71.04990	11.7
79.05495	63.2
79.99800	3.6
81.03420	79.0
81.06594	6.5
81.07064	100.0
83.04978	34.6
83.08608	25.7
85.02914	30.1
85.06541	5.2
91.05485	82.5
93.07049	61.9
95.04968	41.5
95.08620	37.3
97.02904	16.4
97.06529	14.7
97.10204	10.3
98.21342	10.0
105.07031	60.0
107.04959	19.7
107.08597	40.7
107.56269	4.7
109.02870	9.0
109.06523	15.8
109.10155	21.6
111.04430	8.1
111.08093	9.8
115.03849	4.6
117.07019	17.7
119.08566	47.8
121.06503	7.4
121.10164	22.4
123.08040	8.3
123.11687	10.6
125.09668	7.3
127.03917	11.6
129.05449	4.7
129.07007	16.7
131.08580	31.1
133.06538	7.7
133.10132	40.7
135.08034	5.9
135.11691	11.6
137.09637	8.3
143.08546	6.2
145.10130	16.9
147.11705	29.5
149.09595	11.3
149.13255	7.4
151.11205	12.8
157.10150	14.2
159.11737	12.7
161.09653	4.9
163.11234	6.4
173.04521	4.2
173.13277	4.6
175.11211	18.7
179.10559	5.7
183.11655	4.9
190.42200	4.4
193.12213	38.1
193.13553	3.8
211.13300	52.8
227.12930	7.4
245.18881	4.6
246.32730	4.6
253.14349	14.4
257.19177	5.0
259.20596	4.4
267.15942	29.2
269.17444	6.0
275.20105	51.1
285.16983	41.2
293.21091	5.9
349.23672	38.8
368.71652	4.8
413.21487	6.5
429.21521	4.6
461.28726	14.7
479.30151	25.5
481.28079	5.1
541.34888	13.2
559.36316	36.1
577.37573	20.2
605.33875	5.6
623.33948	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
53.07316	1.1
55.01873	9.5
55.05264	2.0
55.05512	34.8
57.03439	23.7
57.07052	2.6
59.05001	35.0
61.02908	3.6
65.03931	1.6
67.05505	69.4
69.03424	6.3
69.07070	8.9
71.01338	1.9
71.04988	12.6
73.02899	3.0
77.03888	1.1
79.05487	28.4
80.05806	1.5
81.03415	39.1
81.06583	1.7
81.07054	33.1
83.01350	6.1
83.04976	17.6
83.08622	23.4
85.02903	10.0
85.06541	3.4
87.04468	45.6
91.04961	1.8
91.05487	23.0
92.05780	1.2
93.07042	30.7
95.04975	14.3
95.08041	1.5
95.08605	17.4
96.59885	1.2
97.02882	6.7
97.06525	4.9
97.10162	12.1
99.04462	12.1
105.07041	13.3
107.00130	1.2
107.04956	10.4
107.08585	21.4
109.02887	1.5
109.06517	7.2
109.10156	60.0
110.10478	1.9
111.04425	4.9
111.08067	6.4
117.07004	7.3
119.08575	19.5
121.06503	5.5
121.10153	9.6
123.08071	7.8
125.05962	2.1
125.09635	9.5
127.03932	3.0
129.06992	5.3
130.07761	1.8
131.08589	8.7
133.10136	6.5
135.08131	1.5
135.11682	15.9
137.09560	3.7
137.54671	1.3
139.07571	1.5
145.06439	2.6
145.10120	18.8
147.08034	3.1
147.11676	4.5
149.09595	3.1
153.12704	3.7
155.10677	3.8
157.10127	4.0
161.09560	1.5
163.11177	29.0
167.07068	1.6
173.09554	2.5
173.11754	21.9
173.13187	2.3
174.12076	1.4
175.11165	5.3
181.12251	6.6
191.10645	4.8
193.12230	13.7
199.13261	6.6
203.14539	1.3
209.11696	10.2
211.13303	9.3
223.13193	2.9
227.12762	24.1
229.12048	2.8
229.14349	55.6
230.14603	2.2
241.14217	1.6
249.15025	1.5
257.13828	1.7
267.15897	30.8
268.16193	1.6
275.20282	1.7
283.15402	70.4
284.15607	3.0
285.16983	4.9
311.14850	3.9
315.17926	5.8
367.22409	1.8
376.59976	1.2
385.23553	4.1
407.23822	2.6
425.25107	7.9
425.77673	1.4
433.25677	3.2
437.25348	100.0
438.25543	4.3
459.27411	19.9
477.28561	12.9
488.41443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.39
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69192	1.3
53.03939	4.2
53.28691	1.1
55.01870	9.0
55.05263	2.6
55.05513	39.8
57.03190	2.2
57.03439	23.4
57.07061	3.1
57.24114	1.3
58.92745	1.1
59.05005	32.7
59.36251	1.4
61.02910	4.4
65.03929	2.4
67.05505	78.3
69.03429	7.5
69.07074	8.7
70.55235	3.9
71.01354	2.5
71.04997	14.7
73.02910	3.0
79.05061	1.8
79.05499	34.3
81.03421	35.2
81.07059	36.8
82.07389	1.6
83.01350	8.2
83.04985	18.3
83.08628	23.7
85.02898	12.5
85.06548	2.5
87.04471	54.1
91.05482	26.0
93.07042	31.6
94.07395	1.9
95.04973	19.4
95.08624	14.0
97.02880	8.1
97.06547	8.1
97.10178	16.5
98.10461	1.2
98.21011	2.4
99.04449	17.4
99.08080	2.8
105.04536	1.4
105.07038	17.2
105.22224	1.2
107.04974	12.6
107.08593	17.9
109.06516	10.8
109.10159	51.1
111.04435	5.6
111.08128	7.1
113.39117	1.2
115.03919	1.6
117.07030	11.2
119.08591	19.1
121.06489	5.0
121.10144	11.9
123.04408	2.2
123.07347	1.1
123.08096	9.9
125.06004	3.0
125.09615	16.0
129.06987	5.3
130.07748	1.4
131.08539	9.6
133.06499	1.6
133.10123	5.5
135.08031	4.0
135.11708	13.5
137.09634	4.0
143.08577	1.9
143.10678	2.2
145.06444	1.8
145.10135	19.0
147.08035	4.0
147.11684	3.5
149.09615	4.2
153.12721	3.8
155.08556	2.1
155.10666	4.4
157.10150	4.1
161.09764	1.3
163.11172	30.2
167.08609	1.5
173.09593	4.8
173.11743	23.1
181.12230	4.6
191.10666	5.0
193.12286	10.3
199.11523	2.1
199.13261	10.7
209.11711	13.6
211.13319	3.2
213.12860	1.4
223.13318	2.2
227.12758	12.2
229.12073	3.0
229.14346	61.0
230.14595	1.8
241.14374	5.9
249.33946	1.4
257.13718	3.4
267.15891	24.2
283.15408	83.1
284.15674	3.9
285.16980	3.6
311.14862	3.9
315.17972	8.6
385.23599	1.7
407.24185	4.2
425.25375	20.8
433.25616	2.5
437.25366	100.0
438.25571	4.7
441.26022	2.4
459.27252	12.8
461.28601	1.5
477.28635	12.7
491.26379	1.5
509.28162	1.8
516.93573	1.4
523.29156	3.5
541.29706	2.6
543.36554	1.7
576.35596	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	737.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01883	16.9
55.05511	47.0
55.07373	2.5
57.03442	15.9
57.07074	5.3
59.04996	3.8
61.02924	22.4
63.56857	2.5
65.03925	4.1
67.05505	100.0
69.03416	20.2
69.07064	34.9
69.65504	9.5
69.65916	7.9
71.05001	16.8
72.40871	3.2
73.02920	8.8
76.46159	3.3
77.03962	2.4
79.05492	76.3
79.05959	4.0
81.03419	69.8
81.07058	96.7
82.03706	2.5
82.64227	2.9
83.04978	30.2
83.08617	28.1
85.02901	28.8
85.06543	7.7
91.03954	10.0
91.05478	83.2
93.07040	69.9
93.51554	2.6
95.04968	32.5
95.08611	46.1
97.02886	26.9
97.06508	11.3
97.10175	23.8
98.20770	4.9
98.21421	5.6
99.04431	5.1
99.08106	5.3
101.02380	4.9
103.05480	5.4
105.06371	5.5
105.07034	65.1
107.04944	17.3
107.08585	51.9
109.02872	9.8
109.06523	12.0
109.10163	34.2
111.04434	12.4
111.08092	11.0
113.06017	3.9
115.05438	7.8
117.07012	33.3
119.04922	3.1
119.08575	48.7
121.06506	12.3
121.10130	23.3
123.04395	5.1
123.08067	10.5
123.11691	7.0
125.05988	3.7
125.09632	14.7
127.03904	11.7
128.06232	6.2
129.03050	2.4
129.05522	3.5
129.07010	28.4
130.07826	3.2
131.08557	50.1
133.06480	11.6
133.10133	47.5
135.08047	16.3
135.11719	13.0
137.09599	6.7
141.06995	9.2
142.07788	5.4
143.08560	27.6
145.06497	4.0
145.10133	37.8
147.08043	12.0
147.11667	26.7
149.09570	13.3
151.11188	12.3
153.12766	3.6
155.08543	14.0
157.10118	31.4
159.08063	7.2
159.11691	26.5
161.09642	10.2
161.13298	8.1
163.11200	9.3
164.12602	2.6
165.12801	3.7
167.08609	8.1
167.10826	3.5
169.10146	15.6
171.08032	4.4
171.11700	20.1
173.04509	3.8
173.09641	7.5
173.13269	13.2
175.11147	14.7
177.09169	4.8
177.12756	5.1
179.08537	3.7
181.10144	8.7
183.11726	11.2
185.09656	4.4
185.13281	11.8
187.11133	5.0
187.14822	5.8
189.11191	5.7
189.12775	5.1
193.10281	5.8
193.12262	23.6
195.11737	8.8
197.13287	11.6
199.11177	3.6
199.14922	4.8
203.10620	3.2
207.11716	5.0
209.13324	8.1
211.13156	29.1
211.14948	3.8
223.14908	4.6
227.12756	15.0
227.18007	4.4
229.14278	4.9
237.16393	5.5
245.19205	3.3
253.14304	14.4
255.17560	3.5
259.20523	3.3
262.89331	3.2
263.20258	4.7
267.15897	12.0
271.17346	3.0
273.18515	23.6
275.20096	6.4
283.20477	5.3
285.16989	10.1
285.22058	5.2
291.19565	39.6
295.20648	3.1
297.22031	3.6
299.23718	5.9
301.21664	4.1
313.21667	4.2
321.22211	4.2
347.22156	10.9
355.17426	3.5
365.23102	24.6
415.29935	4.9
429.21201	8.4
433.30878	12.3
443.27924	6.2
451.32034	11.3
469.33109	7.4
499.33960	3.2
507.34854	15.6
517.35297	21.5
525.35858	67.3
526.36530	4.1
543.36847	84.8
557.37909	20.4
575.38202	24.7
607.31317	3.2
683.37610	3.7
687.40802	3.4
701.39111	3.5
719.40057	14.1
737.42303	9.2
752.58765	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	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19902	2.9
53.03953	17.5
53.73444	3.1
53.73708	2.6
55.01890	16.6
55.05516	68.7
57.03439	19.4
59.05011	3.7
61.02925	4.7
65.03937	6.0
67.05507	94.6
68.86657	3.2
69.03432	28.4
69.07071	44.0
69.32082	30.5
70.02566	2.7
71.04986	13.6
73.02921	4.7
79.05494	85.2
81.02975	6.0
81.03423	100.0
81.06577	4.7
81.07059	85.5
83.04989	35.0
83.08630	40.8
85.02905	32.2
85.06557	4.7
91.03969	4.0
91.05484	74.2
93.07053	65.9
95.04981	47.6
95.08618	42.4
97.02896	33.7
97.06540	17.1
97.09714	3.1
97.10181	33.5
98.20883	10.4
99.04475	6.7
101.02359	4.8
105.07030	61.0
107.04958	27.5
107.08595	45.5
109.02896	19.7
109.06508	15.0
109.10148	27.5
111.04457	19.2
111.08069	15.9
115.05426	7.0
117.07022	26.6
119.08587	50.4
120.23153	3.1
121.06509	12.7
121.10131	20.7
123.04462	4.7
123.08107	19.6
123.11711	5.2
125.09648	28.9
127.03915	14.4
128.06212	3.6
129.05508	4.1
129.06999	24.5
131.08568	34.4
133.06520	16.6
133.10121	26.3
135.08063	10.5
135.11696	11.8
137.09656	7.2
141.07022	5.6
143.08557	11.3
145.06483	4.6
145.10143	24.4
147.08046	21.1
147.11743	23.6
149.05945	4.0
149.09663	16.6
149.13240	3.9
151.07466	3.8
151.11176	5.0
153.09099	4.3
153.12773	5.6
155.08565	6.4
155.10609	3.8
157.10127	17.2
159.08052	7.1
159.11684	16.9
161.09627	9.7
163.11189	14.3
165.09094	8.6
165.12732	6.1
169.10223	4.2
171.11720	9.7
173.04372	3.0
173.09650	5.8
175.11250	19.2
177.12814	4.4
181.10167	3.9
181.12228	5.5
189.09439	3.9
189.11217	19.9
189.12779	4.9
191.10689	9.2
193.12245	42.4
205.12244	6.9
209.11700	4.1
211.13286	56.9
219.13893	5.2
223.13287	11.6
227.12819	31.7
229.14285	5.1
233.15462	5.6
235.13249	3.7
249.14900	7.8
257.19122	4.8
267.15915	26.7
273.18466	40.7
275.20102	14.0
283.15359	11.5
285.17029	23.4
291.19543	87.4
315.19467	5.6
347.22208	6.9
365.23206	40.1
375.17593	3.8
411.20026	7.5
419.24088	3.9
429.21219	14.5
459.27490	4.0
477.28464	7.5
521.32367	4.6
528.37488	10.3
539.33508	7.6
557.34650	44.0
558.35022	4.3
575.35779	50.2
639.33551	4.8
701.38806	8.0
719.39911	38.5
737.41052	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	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01881	13.7
55.05512	36.5
57.03438	37.8
65.03939	3.5
67.05508	63.1
69.03430	24.3
69.07078	25.2
69.52869	8.1
69.53298	7.6
71.01324	2.2
71.04992	19.0
73.02915	8.1
79.05495	63.7
81.03419	100.0
81.07059	67.0
82.03725	3.0
83.01318	2.7
83.04984	29.6
83.08629	26.3
85.02911	25.4
85.06544	7.6
90.13467	2.3
91.05477	60.9
92.05769	3.0
93.07050	54.8
94.07343	2.9
95.04971	38.1
95.08605	34.3
97.02885	23.5
97.06545	21.3
97.10201	12.2
97.10676	2.3
98.20753	5.2
98.21399	5.8
99.04451	7.8
99.08098	36.3
101.02332	2.8
103.05453	3.5
105.06374	3.9
105.07032	48.4
106.39346	2.0
107.04961	23.2
107.08599	29.8
109.02885	14.1
109.06510	21.0
109.10161	17.1
111.04439	16.1
111.08072	12.9
113.06001	4.9
115.05453	5.6
115.07569	8.4
117.07005	19.2
119.08587	42.4
121.06528	18.6
121.10139	23.2
123.04441	4.9
123.08076	14.6
123.11700	7.0
125.05929	3.1
125.09611	9.2
127.03922	11.2
127.07558	14.7
128.06236	3.2
129.05507	4.8
129.07010	25.5
131.04886	2.8
131.08559	30.0
133.06509	8.1
133.10147	27.9
135.04453	3.5
135.05983	2.9
135.08067	17.1
135.11670	12.0
137.05928	2.5
137.09599	6.2
141.06985	3.6
142.07747	3.0
143.08559	11.7
145.06448	6.1
145.10118	22.7
147.08075	13.8
147.10756	2.4
147.11725	19.7
149.05983	3.4
149.09673	16.7
149.13255	3.3
151.11227	2.8
153.09006	2.6
153.12740	6.8
155.08603	5.5
155.10599	2.4
157.10103	19.3
159.08064	6.8
159.11688	10.7
161.06125	2.2
161.09624	12.4
163.07582	2.4
163.11151	13.1
165.09030	2.7
165.12766	2.7
167.08481	2.5
169.10155	7.4
171.08032	2.3
171.10246	2.8
171.11678	8.1
173.04425	4.5
173.09596	7.9
173.13260	6.4
175.11211	16.3
177.12804	2.9
179.10602	4.3
181.10106	3.3
181.12224	5.4
183.11691	3.4
185.09705	3.4
185.13248	4.0
187.11111	2.3
187.14912	3.0
189.11211	5.0
189.12732	2.8
191.10648	6.3
193.12248	28.3
194.12596	2.4
195.11668	4.6
197.13321	3.9
199.11223	4.8
199.14890	3.4
201.07576	4.0
201.12817	5.6
209.11617	3.9
209.13367	4.1
211.13274	42.7
213.12726	5.7
215.14221	2.7
217.15919	9.9
219.13748	5.2
221.15375	5.0
227.12788	16.6
229.14285	3.7
237.16594	2.5
245.19029	4.5
255.17508	3.2
267.15872	20.1
273.18564	31.4
275.20044	11.0
283.15298	16.5
284.15659	2.7
285.16922	20.5
291.19547	40.2
297.18265	3.6
301.16452	5.1
302.16898	2.7
315.19595	5.2
329.21106	2.9
337.16574	3.1
347.22046	8.8
347.81479	2.4
349.23700	6.9
355.17590	2.5
365.23328	17.0
429.21271	8.2
437.24222	2.6
447.28329	4.1
459.27441	3.6
461.28580	2.9
465.29776	4.8
483.30905	4.7
491.25986	3.3
517.31506	3.9
539.33551	10.2
557.34796	30.0
558.34991	3.1
575.35803	25.3
576.36121	3.2
593.36841	3.7
683.37701	2.9
701.38831	11.9
719.39819	12.5
737.40912	26.1
738.40088	2.7
758.40955	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	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15935	2.1
53.03942	14.3
55.01872	20.2
55.05259	3.1
55.05511	44.0
57.03439	21.6
57.07069	6.9
59.04994	4.1
60.26411	2.2
61.02911	7.3
65.03927	8.3
67.05505	97.8
68.05845	3.7
69.03434	37.8
69.06718	3.2
69.07069	35.1
70.38999	5.0
70.39391	5.5
71.01344	4.1
71.04989	14.9
73.02905	6.9
79.05054	4.6
79.05494	83.1
81.03416	100.0
81.07058	92.7
83.04981	28.9
83.08610	24.9
85.02910	24.7
85.06544	6.8
91.05480	79.2
93.07043	68.4
95.04971	36.9
95.08041	4.6
95.08602	51.1
97.02893	34.6
97.06525	16.7
97.10162	16.7
98.21275	3.8
99.04451	8.7
99.08080	3.9
101.66988	2.3
103.05421	2.9
105.07025	61.6
107.04948	22.5
107.08593	43.5
109.02876	20.0
109.06525	17.3
109.10152	42.4
111.04441	13.8
111.08067	11.4
115.05447	6.1
117.07028	27.4
119.04895	2.7
119.08591	48.8
121.06502	12.2
121.10145	28.1
123.04399	6.1
123.08079	12.7
123.11697	6.7
125.05946	2.8
125.09643	16.5
127.03919	16.5
128.06198	6.1
129.05461	5.5
129.07011	21.7
131.08574	41.1
133.06506	7.7
133.10130	35.7
135.04492	3.2
135.08072	13.1
135.11702	15.8
137.05940	4.3
137.09589	14.1
139.11140	3.4
141.06979	6.8
142.07758	4.9
143.03387	3.4
143.08600	12.4
145.06485	7.8
145.10129	27.2
146.10413	2.7
147.08038	11.1
147.11694	22.5
149.05910	3.3
149.09630	20.0
149.13303	6.5
151.11197	5.4
153.09096	2.4
154.07770	2.6
155.08649	6.4
157.10095	17.6
159.08093	4.5
159.11681	13.9
161.09622	8.3
161.13232	5.8
163.11201	15.9
165.12784	6.3
169.10110	5.6
171.08031	2.6
171.11717	10.9
173.04491	11.6
173.09610	5.1
173.11754	5.2
173.13261	6.9
175.07524	2.8
175.11166	13.2
177.12724	6.3
179.10645	2.6
181.10132	4.0
181.12192	2.9
183.06683	2.8
183.11713	6.4
185.13310	4.9
187.11166	3.4
189.11223	7.8
191.10680	6.3
193.12231	22.8
195.11717	3.7
195.13826	2.9
197.13283	3.9
199.05943	2.9
199.11278	4.4
199.13185	5.0
203.10681	2.4
205.12196	2.9
207.13750	3.4
209.11739	5.6
211.13210	19.4
223.13176	2.7
227.12735	14.8
229.14351	16.5
239.17966	3.0
253.14330	4.9
257.19016	6.0
267.15811	13.7
269.17551	3.9
273.18509	17.8
275.20044	31.8
281.13913	3.3
283.15442	8.1
285.17041	9.3
289.13992	2.5
291.16647	3.1
291.19507	18.1
301.16467	8.1
347.22241	5.6
349.23807	12.2
365.23172	9.3
417.22049	3.1
421.25470	2.5
439.26852	5.1
447.28055	2.5
469.34314	2.7
503.33621	6.2
525.35522	5.4
539.33118	3.6
543.36542	7.7
557.34668	20.5
575.35547	17.5
719.39569	7.4
737.41211	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	737.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
54.73717	2.0
55.01867	7.2
55.05258	2.6
55.05511	42.1
57.03445	14.6
58.39569	1.7
59.05009	2.2
61.02917	7.7
65.03921	2.9
67.05505	65.9
69.03423	14.1
69.07064	22.0
71.04994	9.3
73.02904	3.7
77.03906	2.2
79.05493	59.6
81.03419	52.5
81.07059	68.9
83.04988	17.8
83.08620	27.5
85.02909	23.0
85.06546	4.6
91.03967	4.9
91.05484	100.0
92.05769	2.1
93.07049	43.7
95.04970	29.9
95.08611	39.4
95.09190	1.2
97.02893	10.6
97.06536	14.4
97.10161	6.2
98.20819	6.1
99.04425	3.4
99.08091	3.4
101.02411	2.4
103.05474	3.7
105.04486	2.1
105.07031	72.7
107.04969	13.5
107.08583	24.2
109.02916	3.4
109.06525	16.8
109.10160	8.7
111.04475	2.6
111.08100	15.5
111.11753	2.6
113.05971	2.8
115.05443	7.9
116.06232	4.1
117.07016	41.1
119.04946	1.8
119.08578	43.9
121.06512	9.7
121.10152	17.8
123.08088	15.0
123.11705	4.5
125.06040	2.2
125.09615	6.7
127.03897	4.4
128.06226	21.7
129.05530	2.1
129.07010	30.8
129.12712	2.3
130.07765	11.4
131.04874	2.1
131.08571	76.0
133.06503	15.7
133.09215	3.1
133.10136	31.5
135.08047	7.0
135.11681	5.3
137.09558	5.4
139.11172	2.7
141.06970	9.4
141.09128	2.3
142.07822	9.0
143.08566	66.4
144.82903	1.9
145.06497	4.8
145.10132	72.0
145.11284	3.7
147.08018	13.7
147.11690	17.4
149.09612	13.2
151.07538	2.8
151.11182	3.1
155.08546	8.0
157.10127	34.1
159.08058	7.2
159.11690	26.8
161.09627	16.6
161.13213	2.6
163.11189	7.5
165.06981	4.2
165.12781	4.0
167.08551	5.4
169.10132	13.3
171.11720	17.1
173.04527	2.4
173.09618	6.7
173.13226	3.6
175.11183	17.0
177.12761	7.7
181.10117	15.6
182.10930	2.1
183.11731	12.1
185.09570	3.2
185.13266	9.0
187.11183	4.1
191.10605	1.9
193.12236	34.4
195.11711	17.4
197.13269	2.4
199.11211	4.3
199.14716	2.4
201.12692	5.0
201.58759	2.0
209.13295	3.4
211.11247	4.2
211.13258	42.7
213.12793	3.9
215.68900	2.0
227.12575	2.9
227.17950	5.8
231.13780	2.3
237.16371	23.9
245.19156	4.7
255.17412	29.5
267.15903	23.6
273.18497	81.6
274.18896	4.2
275.20053	2.8
285.16971	68.0
291.19510	5.4
329.21100	7.1
347.22174	39.0
349.23767	2.5
389.54349	1.9
461.29126	1.9
477.28339	2.8
539.33789	17.9
557.34686	34.7
575.35364	5.1
688.84943	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	736.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05510	9.6
57.03434	5.5
57.07077	27.8
61.02926	2.7
67.05504	35.3
69.03415	2.1
69.07072	8.2
71.04992	16.2
71.08630	20.0
71.17400	1.8
79.05485	7.9
79.76777	0.9
80.62954	1.1
81.03430	0.9
81.07056	64.6
83.04974	2.5
83.08627	10.1
85.06544	7.3
85.10181	13.5
86.09683	1.4
87.04466	1.1
91.05480	14.4
92.48932	0.9
93.07049	8.7
95.04962	1.2
95.08611	18.7
97.02913	1.2
97.06517	3.3
97.10159	3.9
98.21078	1.2
105.07018	6.0
107.08588	6.2
109.10136	10.3
111.11677	1.2
111.30015	1.0
117.06987	1.8
121.10140	2.2
123.11701	14.7
125.00047	1.4
125.09508	0.9
130.11871	0.9
131.08521	2.3
131.84291	1.0
133.10132	12.3
135.11723	1.8
149.13213	2.6
151.11226	5.6
159.11710	2.2
177.12750	2.7
183.13876	2.2
184.07349	5.4
187.13286	4.4
195.13733	1.2
239.23642	1.9
257.17401	1.8
269.17502	5.5
301.20065	20.3
313.27338	22.9
331.51932	0.9
481.38885	86.8
482.39227	3.5
495.40378	3.3
507.40521	7.1
539.43054	100.0
540.43311	2.7
543.38989	1.0
659.83582	1.0
740.67688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.7
53.72418	3.4
55.01866	16.6
55.05512	50.2
57.03446	23.1
61.02925	22.2
65.03944	3.7
67.05508	100.0
69.03423	29.1
69.07079	36.3
69.65318	27.0
71.04987	17.2
73.02908	11.7
77.03920	4.6
79.05054	6.0
79.05498	86.3
81.03424	99.9
81.07061	93.2
83.01357	4.3
83.04986	31.6
83.08614	34.7
85.02895	22.7
85.06544	10.8
88.49554	3.7
91.03964	5.2
91.04969	6.9
91.05490	96.6
91.90833	4.0
92.97513	3.5
93.07050	74.9
95.04974	39.2
95.08607	52.7
97.02894	30.9
97.06555	22.7
97.10168	20.7
98.20944	8.1
98.21490	5.3
99.04430	8.4
99.08120	5.2
103.05470	5.4
105.04514	3.9
105.07030	81.7
107.04945	29.0
107.08600	46.5
109.02885	13.0
109.06519	16.8
109.10162	41.0
111.04422	15.7
111.08086	15.7
115.05446	5.2
117.07024	31.1
119.08579	46.1
121.06491	17.6
121.10136	25.0
123.04433	8.4
123.08067	7.9
123.11735	9.0
125.05983	4.1
125.09656	17.1
127.03938	12.9
127.07562	4.1
128.06233	4.4
129.05438	5.0
129.07010	32.0
131.08578	44.5
133.06512	18.2
133.10144	43.6
135.08049	15.7
135.11664	13.8
137.06046	6.1
137.09639	7.2
141.06998	9.4
142.07788	8.4
143.08577	23.6
145.10136	33.9
147.08034	12.8
147.11700	26.0
149.09621	23.4
149.13232	4.6
151.11157	11.7
154.07893	5.1
155.08527	11.1
155.40944	4.2
156.09253	5.1
157.10117	31.9
159.08109	8.4
159.11684	16.1
161.09619	10.8
161.13205	7.3
163.11183	12.7
165.05357	3.7
165.12791	5.4
167.08638	6.8
169.10121	12.4
171.08093	4.0
171.11713	18.8
173.09665	9.5
173.13306	8.0
175.11194	17.8
177.12672	4.9
181.10139	10.2
181.12195	6.9
183.11726	7.5
185.09796	4.9
185.13202	9.7
187.14772	5.7
189.11275	8.4
189.12799	6.9
193.10478	7.5
193.12251	39.7
195.11711	12.1
197.13242	8.0
199.11205	4.2
209.11560	6.0
209.13295	7.0
211.13255	44.6
211.14967	4.8
215.12704	4.2
222.60872	4.2
227.12807	12.9
229.14354	3.9
245.18987	8.7
248.95827	4.4
249.14847	6.7
253.14368	17.4
263.20108	5.8
267.15811	27.0
273.18533	31.9
275.20105	7.9
283.20721	5.5
285.16980	12.6
291.19528	58.7
297.18234	4.2
299.23737	8.3
309.20657	9.0
347.22220	8.9
349.23969	4.8
365.23184	41.6
421.25659	4.1
429.21188	15.8
433.31152	12.9
451.32065	10.9
469.33008	5.8
507.34430	6.2
517.35486	18.4
525.35760	53.5
543.36896	73.8
544.37476	6.0
557.34460	29.2
575.38092	26.3
701.39130	7.4
719.40094	27.2
737.41718	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	736.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.01880	10.5
55.05261	2.2
55.05514	29.9
57.03439	18.6
59.04988	2.4
60.05637	2.4
61.02927	3.2
63.36520	1.9
65.03935	3.8
66.12514	1.9
67.05507	65.6
68.05835	2.0
69.03436	8.9
69.07072	12.0
71.05006	9.5
72.74333	1.5
79.05056	2.8
79.05495	47.9
81.03423	100.0
81.07061	45.8
82.03732	2.6
83.01344	2.4
83.04981	19.0
83.08617	26.2
84.60062	2.0
85.02911	14.7
85.06528	3.9
86.09694	2.6
91.04964	3.2
91.05487	52.6
92.05806	2.1
93.07056	39.5
95.04975	38.7
95.08612	23.5
97.02911	11.2
97.06530	9.0
97.10168	10.6
98.20853	7.6
98.21531	3.3
99.04466	4.1
103.05493	2.1
105.06369	2.9
105.07039	33.2
107.04946	23.2
107.08588	22.2
109.02876	4.5
109.06511	11.9
109.10167	33.3
111.04429	7.3
111.08094	13.3
113.95911	2.0
115.05490	1.9
117.07025	12.5
119.04916	1.7
119.08576	25.9
121.02855	2.0
121.06511	9.9
121.10111	13.8
123.04404	2.6
123.08084	6.2
125.09655	9.0
127.03912	6.6
128.06241	3.4
129.07018	15.2
130.60876	1.8
131.04941	10.5
131.08571	18.7
133.06480	7.4
133.10133	18.7
135.04430	2.9
135.08069	6.1
135.11700	10.6
137.09619	6.1
141.06956	4.3
143.08502	4.6
145.06479	4.3
145.10072	9.7
147.04408	2.5
147.08015	8.1
147.11681	13.1
149.05940	1.8
149.09648	9.2
153.09079	1.8
153.12781	4.9
155.08585	3.6
155.10715	2.4
157.10126	14.8
159.11696	4.7
161.09616	2.6
163.11188	8.7
169.10199	2.3
171.11716	3.3
173.09610	4.6
173.11754	9.2
175.11195	12.0
177.12735	3.3
181.12241	3.7
184.07304	4.1
187.11110	1.9
189.11223	3.7
191.10664	4.2
193.12244	21.6
201.12744	2.7
205.12273	2.3
207.13809	2.0
208.84998	1.9
209.11722	4.2
211.13258	16.4
223.13248	13.6
227.12756	11.2
229.14354	49.9
247.13284	8.0
249.14966	4.1
265.14288	7.1
267.15927	65.2
273.18225	2.3
281.17520	3.2
283.15442	12.4
285.16879	9.5
291.19495	4.4
297.16980	15.7
317.17386	4.1
335.18524	2.8
379.22565	2.2
383.22009	3.6
397.23047	2.1
403.24640	5.2
421.25888	37.1
427.19629	8.5
445.25806	2.5
457.25641	4.2
461.05173	2.0
461.28793	5.4
471.27512	11.1
475.26971	16.1
489.28506	31.3
493.21085	3.0
493.27951	39.1
493.35025	2.2
494.28259	2.5
501.81369	2.0
507.29462	5.0
619.30682	3.7
637.32544	17.9
694.44049	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	14.7
53.71727	2.5
55.01859	14.1
55.05515	37.5
57.03444	17.0
57.07061	2.5
65.03930	8.1
67.05511	78.4
69.03427	23.7
69.07080	24.4
71.04984	9.0
71.56956	3.7
77.03918	3.6
79.05499	92.6
81.02975	4.1
81.03420	56.7
81.07063	100.0
83.04982	27.2
83.08618	12.2
84.06818	2.8
85.02912	12.0
85.06541	7.6
91.05486	81.5
93.06467	4.9
93.07049	86.9
94.07374	2.9
95.04980	30.7
95.08610	51.2
97.02900	17.3
97.06515	14.1
97.10157	8.5
99.04447	5.5
99.08085	3.0
103.05505	4.6
103.86456	3.0
105.04478	3.1
105.06385	4.7
105.07041	73.2
107.04968	20.5
107.08600	41.7
109.02876	13.1
109.06528	14.9
109.10169	22.9
111.04447	7.8
111.08070	8.0
117.07030	23.6
119.08590	44.7
121.06498	9.2
121.10155	20.2
123.04427	4.9
123.08058	11.5
123.11709	5.2
125.09631	5.7
127.03901	13.7
128.06213	4.5
129.07001	17.2
131.08568	28.8
132.61974	3.0
133.06496	7.9
133.10133	39.1
135.08090	9.2
135.11697	12.8
137.09570	6.2
139.07518	3.6
141.06927	3.7
143.08551	12.4
145.06410	5.0
145.10124	25.8
147.08067	6.6
147.11693	29.9
149.09599	10.4
149.13257	5.0
151.11195	10.5
153.12679	2.7
155.08546	4.4
157.10153	6.7
159.08073	4.3
159.11708	10.6
161.09627	8.3
161.13251	10.0
163.11169	9.5
165.12706	3.5
169.10080	5.9
171.11720	18.5
173.04465	10.8
173.09657	4.5
173.13324	4.8
175.11192	5.0
177.12796	3.6
181.12209	5.4
183.11684	5.5
185.13159	2.9
189.11182	4.2
189.12732	10.4
191.10675	3.6
194.10822	3.3
195.13863	4.4
207.13788	15.5
215.14304	3.0
227.12811	4.1
251.13075	3.6
253.14345	15.0
257.19034	6.0
267.15900	3.8
269.17682	3.7
273.18533	19.8
275.20105	27.0
281.17487	37.3
283.15347	8.2
291.19540	27.5
293.21094	2.8
331.22256	2.9
342.57736	2.8
343.18655	2.7
347.22147	6.0
349.23779	16.2
353.16058	3.4
365.23090	8.1
388.68475	2.9
413.21780	4.3
427.19489	7.0
453.96014	3.2
475.30661	56.5
476.31210	4.1
477.28467	3.9
555.37195	29.5
573.35406	10.2
619.34467	11.0
715.79828	3.1
717.38367	8.8
735.39856	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	735.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.3
55.01869	14.1
55.05512	30.8
57.03429	16.6
57.07046	2.7
60.82335	2.2
61.02937	5.3
65.03941	7.8
67.05508	85.2
69.03436	15.5
69.07072	21.3
69.52075	16.6
71.04989	8.4
77.50540	2.3
79.05495	100.0
81.03422	35.1
81.07058	97.1
83.04974	21.1
83.08601	15.6
85.02912	11.7
85.06563	5.9
91.03926	2.8
91.05482	98.7
92.05817	3.0
93.07048	93.1
95.04979	27.7
95.08614	49.0
97.02895	10.4
97.06544	14.6
97.10171	7.0
98.20816	7.0
98.21503	4.6
99.04463	3.3
100.43281	2.6
103.05470	5.4
104.72581	2.5
105.07034	76.0
107.04960	21.9
107.08595	45.5
109.02884	7.7
109.06512	12.6
109.10154	16.2
111.04430	3.2
111.08063	4.3
115.05426	4.5
117.07011	30.8
119.08589	52.5
121.06503	11.1
121.10151	17.6
123.08101	11.4
123.11675	3.4
125.09662	3.9
127.03927	11.6
128.06189	7.5
129.07008	24.5
131.08589	26.9
133.06517	6.5
133.10138	36.2
134.57623	2.5
135.08066	9.4
135.11714	11.8
137.09618	3.5
142.34093	2.2
143.08568	14.9
145.06505	5.5
145.10103	28.5
147.08136	5.1
147.11685	37.4
149.09624	12.7
149.13252	7.2
151.11191	2.5
155.08527	4.6
157.10165	8.2
159.08063	3.7
159.11707	14.3
161.09663	5.1
161.13257	13.6
163.11189	8.0
165.12799	2.6
169.10159	7.5
169.93828	2.5
171.11714	28.2
173.04486	10.6
173.09598	4.0
173.13300	8.7
175.11180	3.8
177.12714	2.3
183.11688	4.6
187.11353	2.5
187.14893	2.9
189.12718	11.9
197.13235	5.0
207.13783	29.8
213.16302	2.6
217.15935	2.9
227.12769	2.9
229.19505	4.1
239.17862	4.0
257.19052	10.8
267.16071	5.2
269.17615	4.5
275.20087	65.2
279.15915	2.8
281.17490	59.8
287.16406	3.1
291.19534	4.0
331.22910	3.4
349.23703	25.4
356.27005	2.6
367.24896	5.8
377.23288	4.0
413.21915	3.8
475.30603	36.3
527.37360	3.5
537.35809	8.4
555.36896	39.2
573.38208	12.3
597.37659	3.7
619.34375	9.6
699.39972	3.3
735.41278	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	734.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
56.05025	0.8
57.03432	0.8
57.07079	2.0
58.06364	0.2
58.06623	0.5
60.08167	6.0
64.39641	0.2
66.35508	0.2
67.05506	0.9
69.07072	0.4
69.99432	0.6
69.99837	0.4
70.21648	0.2
71.07378	3.7
71.08633	1.0
79.05490	0.5
81.03423	1.8
81.07065	1.5
82.37037	0.2
83.04983	0.5
83.08603	0.9
85.02905	0.7
85.10181	0.6
86.09709	32.6
86.26617	0.2
87.55861	0.2
91.05475	0.5
93.07030	0.5
95.04959	0.8
95.08610	1.2
97.02934	0.3
97.10194	0.3
98.21044	0.5
98.98477	3.2
104.10749	2.7
105.07051	0.5
107.08596	0.3
107.46626	0.2
109.10160	0.7
119.08584	0.5
121.10143	0.4
125.00011	20.9
129.06999	0.3
131.08517	0.5
131.64545	0.2
133.10132	0.3
147.11705	0.5
157.10170	0.4
175.11203	0.3
184.07347	100.0
185.07674	0.7
193.12238	0.9
211.13339	1.2
267.15967	0.7
285.16907	0.8
313.27371	3.5
314.27692	0.5
367.21442	0.2
505.38629	0.7
523.32758	0.3
523.39923	3.6
524.39563	0.3
642.38348	0.2
693.01978	0.2
723.31519	0.3
734.49707	6.2
735.50671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	19.7
55.01871	23.9
55.05511	55.5
57.03440	18.9
59.04992	3.4
61.02926	6.7
65.03951	4.8
67.05505	94.0
69.03432	36.9
69.07067	34.4
71.01355	4.4
71.04988	18.8
71.32099	3.1
71.56756	4.6
73.02914	4.0
74.33036	2.9
79.05502	92.9
81.03425	100.0
81.07059	87.0
83.04978	32.0
83.08611	25.8
85.02924	22.0
85.06549	5.5
87.04469	3.8
90.56399	3.0
91.05488	68.6
93.07052	74.7
95.04974	38.6
95.08601	39.9
97.02900	39.3
97.06529	13.0
97.10181	24.8
99.04458	12.3
103.05508	5.8
105.07037	61.2
107.04947	29.0
107.08598	45.8
107.65984	3.1
109.02891	27.6
109.06532	14.7
109.10173	38.0
111.04468	22.1
111.08089	10.1
114.48257	3.2
115.05470	3.9
117.07018	22.9
119.04981	4.5
119.08585	39.4
120.65467	3.1
121.06506	18.0
121.10152	24.7
123.04424	9.2
123.08070	17.8
123.11750	6.1
125.05970	4.6
125.09628	20.2
127.03941	20.1
128.06201	6.5
129.05513	4.1
129.07011	15.4
131.08565	27.0
133.06520	7.9
133.10146	42.4
135.08093	17.4
135.11693	13.3
137.05994	3.8
137.09592	5.9
143.08569	10.3
145.06491	4.1
145.10135	25.8
147.08073	13.8
147.11719	16.7
149.09668	9.4
149.13307	5.4
151.11209	13.7
153.12788	5.1
155.08577	7.5
157.10155	14.2
159.11714	11.3
161.06108	2.8
161.09637	9.4
163.07616	3.1
163.11194	27.0
165.09155	7.7
165.12791	3.5
167.08670	3.4
169.10109	7.0
171.11684	10.0
173.04480	15.5
173.09622	8.1
173.13243	3.5
175.11249	7.6
177.12761	6.3
179.10648	5.3
181.12277	8.6
185.13322	5.0
187.11136	6.9
189.09593	2.7
189.11243	15.9
189.12744	7.0
191.10707	9.4
193.12257	5.9
201.12918	4.4
205.12189	4.5
209.11726	8.3
223.13324	9.1
227.12776	24.4
229.12285	3.6
229.14368	7.2
253.14386	14.0
265.14316	4.3
267.15839	4.5
273.18466	28.3
275.20151	7.1
281.17603	5.1
283.15396	24.3
289.18112	7.2
291.19550	56.6
347.22266	8.1
353.15961	7.1
365.23270	19.6
366.16620	3.5
427.19666	11.4
451.23096	3.3
519.33228	3.7
555.33746	7.7
573.33966	20.0
717.38153	22.7
735.39496	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18034	0.4
53.03935	1.0
55.01876	0.5
55.05510	1.7
57.03439	2.2
61.02937	4.0
66.76341	0.4
67.05512	6.1
69.03429	2.8
69.07069	1.5
71.01363	0.5
71.04480	1.2
71.04950	0.5
71.08626	0.5
73.02924	4.3
79.05499	4.1
81.03424	2.2
81.07062	6.2
83.04980	0.7
83.08624	1.2
85.02911	4.7
90.94847	0.4
91.03971	3.0
91.05483	2.8
93.07057	5.1
95.04978	1.3
95.08614	4.0
97.02905	3.8
97.06535	1.0
98.21255	0.4
99.04482	0.9
101.02409	1.8
105.07058	1.4
107.08618	2.0
109.02844	0.5
109.06542	0.6
109.10170	1.4
111.08122	0.5
119.08579	0.9
121.10192	2.5
123.11757	0.6
127.03932	1.2
129.07245	0.4
131.08592	0.9
133.10158	1.1
135.11726	1.2
147.11777	0.5
149.13342	1.5
149.43280	0.5
159.11752	0.7
161.13252	0.5
185.04314	0.6
193.12331	1.1
235.13130	1.3
243.08447	1.9
250.59329	0.5
283.06274	0.8
313.27679	0.5
325.27261	0.8
453.20993	5.9
469.39935	0.5
519.29321	6.0
731.43433	100.0
732.43835	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	732.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.1
56.05032	0.9
57.07063	0.1
58.06628	0.5
59.07382	0.1
60.08166	6.5
67.05499	0.3
69.07065	0.2
69.61345	0.6
71.07374	3.5
75.22270	0.1
79.05502	0.1
81.03396	0.1
81.07059	0.2
83.08589	0.2
86.09708	30.4
87.10043	0.3
89.06021	0.2
91.05482	0.2
93.07036	0.2
98.34917	0.1
98.98473	2.7
104.10057	0.1
104.10742	2.2
104.11401	0.2
116.99461	0.1
125.00008	21.5
143.01060	0.1
145.66611	0.1
147.50764	0.1
163.01569	0.1
165.21335	0.1
166.02634	0.1
167.85298	0.1
184.07346	100.0
185.07683	0.7
215.66359	0.1
364.32346	0.1
463.95215	0.1
468.23505	0.1
732.48193	4.6
733.48877	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46965	1.3
53.03959	1.4
55.01862	2.8
55.05513	15.5
57.03439	10.6
57.07079	23.8
58.73372	1.3
60.64233	1.4
60.66583	1.2
61.02912	4.0
67.05164	2.5
67.05508	29.1
68.51521	1.3
69.03423	3.9
69.07076	10.4
71.05009	1.9
71.08634	16.3
71.56911	1.9
71.57352	2.1
79.05492	15.6
79.30676	1.4
81.03433	7.2
81.07062	25.9
81.43723	1.8
83.04974	6.3
83.08615	9.9
85.02905	5.0
85.06550	1.8
85.10191	8.9
86.09700	4.1
89.06013	3.0
91.05489	10.1
93.07040	15.6
95.04971	12.2
95.08604	17.5
97.02871	1.8
97.06488	2.0
97.10178	8.8
99.04439	2.1
105.07084	6.4
107.04956	4.0
107.08615	7.8
109.02883	1.8
109.06512	2.0
109.10161	14.9
111.08057	2.2
117.07021	5.5
119.08594	2.5
121.06512	6.1
121.10147	3.7
123.11719	2.2
125.09637	6.2
131.08580	5.2
133.10132	3.6
135.08078	1.8
135.11673	3.1
141.06934	2.3
143.08522	1.8
145.06410	1.5
145.10112	3.3
149.13275	1.6
159.11716	5.5
161.09584	1.3
177.12787	2.4
178.48721	1.1
184.07381	10.9
187.11212	4.0
189.11287	6.3
205.12265	4.6
211.63403	1.2
223.13286	34.9
227.12823	6.1
229.14301	3.5
239.23717	1.3
279.15936	4.4
297.16977	100.0
298.17252	2.6
313.27368	70.3
314.27496	1.7
316.22552	2.5
316.78162	1.3
341.07178	1.6
459.18872	1.6
467.37247	8.5
517.38861	1.9
535.39972	54.0
536.40363	1.9
732.46228	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	733.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01857	0.5
55.05512	1.4
57.03431	1.4
58.50616	0.4
61.02924	3.9
64.44547	0.4
67.05504	5.0
69.03426	2.5
69.07072	1.7
69.92754	0.4
71.01361	0.5
71.04980	0.5
71.57941	0.5
73.02927	2.8
79.05505	4.0
81.03422	1.9
81.07063	3.5
83.04987	0.5
83.08607	0.7
85.02903	3.8
89.90160	0.4
91.03955	2.4
91.05489	2.9
93.07042	5.5
95.04986	0.8
95.08610	1.6
97.02898	2.9
97.06529	1.0
99.04473	0.6
101.02399	1.4
105.07027	3.0
107.08604	2.9
109.02921	0.9
109.10179	1.1
117.07011	0.8
119.08560	2.5
120.97137	0.4
121.06508	0.5
121.10152	1.3
127.03941	0.6
129.05482	0.5
129.07059	0.7
131.08612	0.8
133.10176	1.7
135.11717	2.4
143.08676	0.5
145.10182	1.0
147.11726	1.0
147.37352	0.3
149.13426	0.4
161.13272	0.4
167.89540	0.5
171.11763	0.6
173.13330	0.5
184.07410	0.5
185.04280	1.2
200.45413	0.4
208.68256	0.5
221.11569	1.4
243.08513	2.3
266.62057	0.4
301.09103	1.5
315.10559	0.5
373.10947	0.9
439.19376	8.0
465.20953	0.6
511.21680	1.1
535.28912	6.4
536.29858	0.5
564.24011	0.5
571.35413	0.5
733.41321	100.0
734.41547	6.6
758.54974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1606
Annotation	3-O-galloylprocyanidin
Peak:m/z	Relative Intensity
51.02371	0.5
53.03939	0.8
55.01861	2.3
59.86906	0.4
65.03931	1.1
67.01862	0.7
67.05492	1.3
68.99786	6.0
73.36304	0.4
77.03937	0.8
79.01862	0.8
79.05489	0.8
81.03410	4.2
83.11362	0.4
85.02901	0.9
85.08514	0.4
89.03909	0.7
91.05465	1.1
94.75236	0.4
95.04973	2.7
97.02905	0.5
98.20683	0.5
99.04446	1.2
103.05471	0.7
105.03396	0.8
107.04945	3.4
109.02898	3.7
111.00815	3.9
111.04449	4.1
115.05434	0.8
117.03405	0.8
117.06968	0.5
119.04956	1.1
119.08499	0.4
121.02846	1.5
123.04431	78.0
124.04764	1.3
127.03918	100.0
128.04266	1.3
128.06248	0.6
129.07001	0.8
131.04926	1.6
133.06543	0.7
135.04417	33.4
137.02350	4.4
137.03326	0.8
137.05974	0.8
139.03905	46.4
140.04224	0.6
141.07027	0.9
143.03409	1.1
143.04897	0.9
145.02835	0.7
145.06496	1.0
147.04414	6.9
149.02374	4.9
149.05998	1.4
151.03903	15.1
151.05107	0.9
153.01834	18.9
153.02762	0.7
153.06931	0.4
155.04930	0.7
157.06436	1.1
159.04398	2.8
161.06012	2.6
163.03912	37.2
165.05487	4.7
167.03424	8.5
167.04745	0.9
169.06505	1.6
173.05952	3.1
175.03932	4.3
175.07639	0.6
177.05470	4.9
179.03374	3.4
181.04971	0.9
181.06450	0.8
183.04424	1.1
185.06007	1.1
187.03851	5.9
187.07494	1.3
189.05435	3.2
191.03398	14.9
193.04965	4.5
197.06032	4.3
201.05476	8.6
203.03397	9.3
203.07062	2.0
205.04947	3.1
209.05969	0.4
213.05496	1.8
215.03410	1.9
215.07004	3.4
217.04977	1.7
219.06551	0.6
225.05475	1.5
227.03476	0.5
227.07103	0.7
229.04944	8.4
231.06573	1.5
233.04453	5.9
237.05519	1.2
241.05029	1.3
243.06534	4.5
245.04462	7.4
247.06027	22.6
251.05542	1.4
253.04912	1.0
255.06487	2.7
257.04492	11.0
258.05048	0.5
259.06027	9.6
261.07556	1.1
265.05078	0.6
266.35983	0.5
269.04489	5.0
271.06027	20.7
272.06339	0.9
273.07672	5.2
275.05515	17.1
276.05887	0.6
283.06003	10.1
285.07440	1.2
287.05511	23.2
289.07083	12.0
291.08606	3.1
295.06244	0.7
297.07700	0.9
299.05515	4.1
301.07065	13.9
303.08725	0.7
311.05435	0.7
313.07166	0.7
315.08679	1.1
325.07239	0.7
365.69778	0.5
379.08160	0.8
391.08041	2.8
393.09521	2.3
409.09186	24.1
411.10709	0.5
414.62857	0.6
421.09213	2.1
427.10147	3.2
433.09354	0.6
435.10800	1.8
439.10266	0.5
443.09930	1.8
543.12616	0.7
563.11694	0.9
579.11469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03943	1.8
55.01864	1.8
55.05506	13.1
57.03440	13.0
57.07075	32.7
60.08167	0.7
62.09864	0.7
65.03919	2.0
65.30687	0.8
67.05166	1.5
67.05508	22.9
67.05872	1.8
69.03419	2.7
69.07071	10.7
70.00189	2.8
71.01328	0.7
71.04985	3.0
71.08629	27.8
79.05493	13.8
81.03416	35.9
81.07056	29.0
83.04982	9.9
83.08616	21.0
85.02904	15.2
85.06540	2.3
85.10182	12.9
86.09697	1.6
89.06033	0.9
91.05485	21.0
93.07043	10.1
95.01324	2.2
95.04975	14.5
95.08608	22.9
97.02910	2.2
97.06514	2.2
97.10162	6.7
98.20773	0.8
98.21304	1.9
99.08096	1.0
103.07580	0.9
103.26707	0.7
104.92459	0.7
105.07037	12.8
107.04969	3.4
107.08598	4.7
109.06526	2.7
109.10155	9.1
111.04398	1.3
111.08085	5.3
113.02348	1.6
113.06015	1.1
115.05424	1.1
119.08583	10.8
121.06541	0.9
121.10153	5.4
123.08051	1.5
123.11709	3.6
125.00038	1.9
129.06996	6.7
131.03493	1.1
131.08565	7.3
133.06450	1.9
133.10133	8.7
137.09616	1.0
137.13243	1.0
141.01819	3.3
142.07785	1.7
145.09976	1.0
147.08017	2.2
147.11664	8.6
149.09641	3.7
157.10130	8.7
163.11243	0.8
165.12756	1.9
175.11218	9.1
184.07332	5.3
193.12247	26.8
211.13300	37.2
239.23698	3.6
249.14873	1.0
257.24829	2.1
267.15903	18.7
281.13788	1.9
285.16959	37.5
299.15024	0.9
313.27362	94.5
314.27789	1.8
415.26804	2.1
505.38892	24.6
518.94507	0.9
523.39948	100.0
524.40234	5.1
550.43335	1.0
763.56348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10332	0.3
53.03951	1.0
55.05510	0.9
56.47552	0.3
57.03431	2.0
61.02933	4.3
63.78379	0.4
64.88651	0.3
64.99000	0.3
65.03964	0.3
67.05507	2.6
69.03436	2.6
69.07087	0.9
69.42696	1.8
69.43120	1.2
71.04995	1.6
73.02925	2.6
75.59933	0.3
77.63602	0.3
79.05503	3.4
83.04987	1.2
83.08607	1.7
85.02904	5.2
85.06551	0.5
87.04479	0.7
91.03972	2.4
91.05474	4.0
93.07042	2.6
95.04987	2.4
95.08624	1.6
97.02906	4.3
97.06540	0.7
98.21220	1.4
99.04483	0.9
101.02384	1.3
105.07018	3.2
106.07346	0.4
107.04974	0.4
107.08624	1.0
109.02913	1.0
109.06561	0.7
109.10200	0.8
111.08108	0.5
113.06036	0.4
119.08581	2.3
121.06574	0.5
121.10150	1.6
123.08109	0.7
123.11762	0.8
127.03951	1.2
129.07047	1.4
131.08611	1.7
133.10133	1.7
137.06001	0.7
142.77327	0.4
145.10164	0.3
147.08046	0.4
147.11707	2.1
149.09641	1.7
149.13171	0.3
151.11201	0.5
157.10176	1.4
159.11841	0.4
159.54697	0.3
165.12811	0.5
167.07051	1.1
175.11253	1.3
179.17856	0.3
181.12289	0.4
184.07350	0.9
185.04305	0.4
193.12297	2.1
211.13367	0.7
225.14986	0.5
233.11758	0.3
243.08481	2.5
251.12570	1.0
265.14346	0.3
267.15979	0.9
283.06454	0.4
283.15237	3.1
314.91626	0.4
339.17987	0.8
345.59708	0.3
469.20468	9.6
469.81500	0.4
501.23099	10.1
502.23349	0.4
567.31128	0.5
729.36664	100.0
730.37097	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	730.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40504	0.1
56.04825	0.1
56.05034	0.8
58.06620	0.5
59.07392	0.2
60.08163	6.5
67.05492	0.3
67.23454	0.1
70.06573	0.2
70.61058	0.2
71.07372	3.6
80.97506	0.1
83.08617	0.1
86.09702	30.1
87.10030	0.2
91.05498	0.1
93.07008	0.1
95.08641	0.1
98.20962	0.1
98.98461	3.4
104.10741	2.2
105.06993	0.1
125.00000	20.1
140.01053	0.1
143.01015	0.3
166.02608	0.1
184.07333	100.0
185.07695	0.7
190.45667	0.1
232.57927	0.1
407.87463	0.1
468.23788	0.2
497.68896	0.1
730.46405	4.2
731.46515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05041	0.9
58.06626	0.5
59.07388	0.1
60.08164	6.6
67.05498	0.3
70.06564	0.2
71.07373	4.0
78.61494	0.1
79.05490	0.2
81.03398	0.1
81.07040	0.3
82.40170	0.1
86.09705	31.8
87.10070	0.2
91.05473	0.2
95.08601	0.2
98.20733	0.3
98.21443	0.4
98.98463	3.7
104.10740	2.2
105.07102	0.1
119.50142	0.1
125.00006	22.6
126.00388	0.2
143.01105	0.2
166.02704	0.2
184.07343	100.0
185.07750	0.6
223.28519	0.1
229.28017	0.2
254.24210	0.1
394.17383	0.1
428.37265	0.1
520.34204	0.2
730.46533	4.7
731.47156	0.3
740.70630	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	731.1608
Annotation	3-O-galloylprocyanidin
Peak:m/z	Relative Intensity
51.02390	0.7
55.01871	1.2
65.03922	0.5
67.05529	0.3
68.99792	2.3
69.03447	0.3
70.06634	0.3
71.14640	0.5
74.78891	0.2
75.95146	0.3
79.01855	3.3
81.03401	0.4
83.04989	0.3
91.05494	0.5
95.04975	0.7
97.02903	0.8
98.20883	0.3
105.03413	0.3
107.01330	0.7
107.04964	0.5
109.02864	0.6
111.00791	0.7
111.04466	1.0
115.05409	0.3
117.03324	0.3
119.04952	1.2
121.02873	0.5
123.04436	18.7
125.02368	2.5
127.03918	6.8
129.07011	0.4
131.04927	1.1
135.04419	3.0
137.02348	1.3
139.03909	13.1
139.08008	0.3
141.07013	0.7
143.02292	0.4
143.03404	5.5
143.04889	0.5
145.02829	0.4
145.06564	0.4
147.04430	2.8
149.02353	0.3
149.06035	0.5
151.03920	11.3
153.01836	100.0
153.02780	3.8
154.02171	1.0
155.04898	0.8
157.06535	0.6
159.04460	1.2
161.05995	1.8
163.03908	9.0
164.04289	0.3
165.05478	1.8
167.03387	0.9
169.06497	1.0
171.04420	0.4
173.05966	1.8
175.03862	1.7
177.05428	1.3
179.03394	2.7
179.07030	0.4
181.04939	0.4
181.06497	0.9
183.04399	0.7
185.06010	1.1
187.03908	3.2
189.05513	1.3
191.03368	1.8
193.04961	1.5
197.05959	1.9
201.05440	1.8
203.03421	2.4
203.07091	0.8
205.04916	0.5
207.04790	0.3
207.06403	1.4
209.06046	0.4
211.04057	0.5
213.05489	2.2
215.03424	0.6
215.07051	1.0
217.04904	1.8
225.05415	1.3
229.04968	3.2
231.06534	0.7
233.04475	0.5
237.05444	0.5
241.04977	2.2
243.06512	1.2
245.04462	2.5
247.06015	6.7
253.05026	1.1
255.06650	1.6
255.08897	0.2
257.04431	1.5
259.06033	19.7
260.06479	0.4
265.04855	0.7
265.40231	0.3
269.04547	0.5
271.06015	36.7
272.06430	1.0
273.07666	0.3
275.05505	1.3
283.06033	8.5
287.05505	7.9
289.06979	1.9
291.08704	3.0
295.05917	0.4
299.05453	2.7
301.07028	1.6
303.05008	1.0
315.04852	0.5
331.04538	1.7
341.06772	0.3
375.95380	0.4
393.09778	0.3
402.48511	0.3
409.09198	11.3
410.09665	0.3
411.10770	13.6
421.09344	0.4
435.10721	0.5
439.10190	0.6
441.08008	0.3
643.76703	0.3
643.89258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23996	0.1
55.05493	0.1
56.05032	0.6
58.06630	0.4
58.43745	0.1
59.07377	0.2
60.08162	6.2
66.56187	0.1
67.05501	0.4
69.55528	0.7
69.55948	0.2
71.04991	0.1
71.07370	3.4
75.13042	0.1
79.05488	0.2
81.07077	0.3
86.09704	30.6
87.10054	0.1
91.05475	0.3
93.07040	0.3
95.08638	0.1
98.21079	0.4
98.98460	3.7
104.10738	2.2
109.06507	0.1
117.07054	0.1
120.91429	0.1
125.00003	20.4
131.74924	0.1
135.71909	0.1
143.01080	0.2
184.07336	100.0
185.07742	0.6
197.79553	0.1
282.65332	0.1
381.39102	0.1
421.98111	0.1
468.23480	0.1
531.35852	0.3
542.93225	0.1
575.49036	0.1
577.38843	0.2
728.33179	0.2
728.44965	3.8
729.44550	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	728.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05033	0.8
58.06636	0.6
59.07390	0.2
60.08164	6.8
67.05520	0.7
69.07076	0.2
70.25056	0.2
70.25446	0.3
71.07373	3.6
72.32922	0.1
73.87904	0.1
79.05486	0.4
81.03387	0.1
81.07057	0.5
86.09705	30.5
87.10020	0.3
91.05514	0.2
93.07044	0.3
95.08633	0.3
97.06541	0.1
98.21217	0.3
98.98461	4.0
98.99105	0.2
104.10748	2.0
105.07011	0.3
125.00005	21.2
136.79788	0.2
143.01009	0.3
166.02583	0.2
177.81146	0.2
184.07336	100.0
185.07718	0.7
217.19751	0.1
221.96794	0.1
312.66650	0.1
335.25674	0.2
372.90735	0.1
466.22018	0.2
665.80920	0.2
728.44983	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	728.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86587	2.0
53.03936	7.1
53.84625	2.2
55.01874	2.3
55.05512	28.3
55.45339	2.4
57.03442	23.5
57.07067	3.5
57.64255	2.3
60.08153	2.5
63.77771	2.0
65.03941	4.6
67.05506	78.1
69.03423	3.5
69.07067	22.2
69.90360	5.5
69.90771	6.6
71.01344	5.2
71.04993	6.0
75.09254	2.1
79.05495	90.2
81.03430	10.4
81.07061	58.7
83.04991	11.7
83.08614	11.0
85.02921	2.2
85.06531	9.7
86.09704	7.8
91.05484	79.2
93.07048	100.0
95.05011	10.5
95.08609	36.5
97.02888	2.2
97.06552	12.8
97.10182	11.2
98.20810	3.0
98.21318	2.8
99.08105	5.6
105.07036	74.6
106.07394	3.6
107.08604	58.6
109.06535	5.8
109.10149	18.6
115.05544	2.5
117.07006	25.2
119.08580	64.4
121.06512	2.4
121.10148	26.8
123.08088	2.4
123.11710	2.4
124.99986	5.0
125.09672	4.2
129.07014	11.6
130.07776	2.6
131.08582	26.6
133.10141	43.5
135.08034	2.9
135.11694	73.5
139.11223	2.7
142.07803	2.7
143.08617	13.3
145.10136	29.6
147.11697	44.3
149.13251	12.7
151.11143	5.0
153.12758	3.0
157.10153	10.8
159.11710	21.9
161.13249	31.4
163.11172	7.3
163.14766	3.0
165.56548	2.2
171.11688	15.6
173.13248	9.8
175.14841	13.0
177.12674	2.9
181.10364	2.3
181.12183	13.7
184.07344	23.3
185.13284	11.0
187.14891	4.6
187.97270	2.6
189.16440	2.1
199.14857	5.3
213.16446	4.6
231.21104	8.7
241.19516	35.7
243.20944	2.4
253.14322	12.7
255.15913	96.7
259.20584	97.7
260.20883	3.5
261.22208	2.6
315.23206	6.6
333.24240	44.8
347.43152	2.4
406.92618	2.4
421.30814	7.1
439.31989	3.9
457.32797	3.2
503.37216	4.3
513.35822	66.8
514.36224	3.0
531.36926	18.7
535.45251	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03944	2.8
53.68788	0.5
55.01867	1.9
55.05513	15.3
57.02059	0.7
57.03439	11.9
57.07076	3.3
57.73748	0.5
61.02917	4.5
65.03937	3.5
67.05503	65.1
69.03443	1.2
69.07068	21.1
71.04982	3.6
71.08638	1.2
71.57616	0.7
73.02911	1.7
77.03937	0.6
79.05492	45.5
81.03425	2.3
81.07056	77.9
82.07412	0.9
83.04984	5.1
83.08620	12.4
85.02895	2.8
85.06538	2.5
86.09701	1.7
87.83624	0.6
91.03970	1.0
91.05479	24.2
92.05822	0.8
93.07044	61.2
94.07370	0.9
95.04967	6.3
95.08606	35.4
97.02897	2.0
97.06542	8.5
97.10170	2.3
99.08112	2.3
105.07027	12.8
107.08597	34.1
109.06532	1.9
109.10155	13.0
111.08080	4.0
113.09664	1.1
117.07010	9.2
119.06019	0.5
119.08576	8.7
121.06522	0.8
121.10145	22.5
123.08132	0.7
123.11731	4.0
125.00034	1.7
128.06354	0.6
129.07042	1.6
131.08553	10.6
133.10129	9.1
135.08060	1.4
135.11703	10.0
137.13264	0.8
139.11189	1.3
145.10091	4.0
147.10695	0.8
147.11668	4.1
149.09689	0.8
149.13255	20.7
151.11166	0.7
157.10207	0.7
159.11711	9.0
161.13190	3.1
163.14894	2.2
165.12762	1.2
173.13231	3.2
175.14957	0.8
177.12733	3.8
184.07332	6.1
185.13206	0.7
187.14847	1.4
195.13802	7.8
200.24554	0.7
213.14886	0.9
243.21179	2.6
253.17906	0.6
261.22171	8.4
267.16022	1.6
269.17487	53.1
270.17831	1.5
317.24814	2.7
335.25793	57.2
336.26205	1.3
437.34296	1.4
455.34854	0.8
470.20767	0.6
511.37967	1.0
529.38873	100.0
530.39404	4.5
547.39905	1.7
726.44702	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	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01874	1.6
55.05515	17.6
57.03437	11.8
57.07072	1.6
61.02919	5.9
65.03921	2.2
67.05504	66.4
69.03433	2.0
69.06728	1.3
69.07071	16.1
71.04994	3.3
71.08676	1.1
72.24990	1.0
73.02902	1.5
79.05492	42.0
81.03426	2.9
81.07058	75.5
83.04980	3.8
83.08615	11.8
85.02888	4.4
85.06523	3.2
91.03957	1.1
91.05479	25.3
93.07044	57.8
94.07326	1.2
95.04983	6.2
95.08604	38.7
97.02886	3.7
97.06534	5.7
97.10136	2.5
98.20705	2.5
98.21416	4.3
99.08068	3.5
105.04446	1.1
105.07029	13.6
107.04897	1.0
107.08600	32.0
109.06513	1.6
109.10159	13.8
111.08070	3.7
117.07040	7.8
119.08580	9.2
120.30447	0.9
121.10146	18.2
123.11706	6.0
131.08560	9.4
133.10132	14.2
135.08052	1.1
135.11694	14.2
137.13213	1.0
145.10136	4.5
147.11671	4.5
149.13264	11.5
151.11226	1.8
159.11656	8.5
161.13243	3.9
163.14868	1.6
173.13239	2.3
175.14798	1.0
177.12753	2.5
184.07347	1.3
195.13803	9.5
243.21111	3.6
261.22156	9.6
269.17484	57.7
270.17783	1.9
303.40442	1.1
310.74640	0.9
317.24789	2.4
335.25790	100.0
336.26251	2.9
382.57578	1.0
391.27560	1.1
437.34030	2.2
455.35159	1.6
456.76642	1.1
529.38861	91.9
530.39490	6.1
530.46472	1.2
588.23944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.8
58.06639	0.5
60.08165	6.4
66.38678	0.2
67.05508	0.2
71.07377	3.7
71.31670	0.3
79.05476	0.3
81.07054	0.2
86.09708	33.3
87.10047	0.2
91.05502	0.2
93.07066	0.2
95.04972	0.1
95.08602	0.2
98.20943	0.2
98.98460	3.4
103.84027	0.2
104.10748	2.3
105.07024	0.3
111.49194	0.1
125.00006	22.4
133.10078	0.2
136.53262	0.1
140.23215	0.1
143.01060	0.3
184.07343	100.0
185.07700	0.5
200.01945	0.1
241.09671	0.1
451.98209	0.1
518.32477	0.3
527.07751	0.1
649.44421	0.2
728.44928	4.3
729.43842	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	726.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79688	0.3
55.05495	1.0
56.05015	0.9
57.03433	0.7
58.06597	0.5
59.25698	0.3
60.07878	0.4
60.08166	6.4
62.41200	0.2
67.05504	3.9
69.07047	1.2
71.04997	0.3
71.07373	4.2
71.08620	0.3
71.24074	0.6
72.03768	0.3
78.57524	0.3
79.05495	2.9
81.07063	3.9
83.04969	0.3
83.08611	0.8
85.02892	0.5
86.09706	34.2
89.71317	0.3
91.05478	2.1
93.07048	3.4
95.05004	0.4
95.08615	2.5
98.21069	0.3
98.98474	4.2
104.10744	2.8
105.07011	1.0
107.08570	1.2
109.10175	1.4
117.06991	0.7
119.08597	0.7
121.06509	0.3
121.10126	1.2
123.11801	0.3
125.00009	22.3
131.08575	1.0
133.10106	0.8
135.11732	0.9
145.10098	0.4
149.13261	0.5
159.11688	0.5
173.13170	0.3
184.07343	100.0
185.07712	0.7
195.13814	0.9
261.22165	0.8
269.17438	2.4
335.25803	3.8
520.34125	0.3
529.38812	4.0
549.78693	0.3
726.46783	5.4
741.41565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01876	11.8
55.05258	3.1
55.05511	45.7
57.03439	31.9
57.07063	3.2
58.95319	1.7
59.04995	4.2
61.02917	5.7
65.03943	4.9
66.90339	1.8
67.05507	90.1
69.03436	9.4
69.07063	14.6
69.35314	18.1
71.04988	11.7
73.02921	2.3
75.04446	1.7
76.21028	1.7
77.03941	2.2
79.05060	4.0
79.05495	57.7
81.03420	100.0
81.07062	53.8
82.04195	2.3
83.04978	28.5
83.08627	44.3
85.02912	38.1
85.06537	6.8
86.09702	2.1
87.04446	5.2
89.25080	2.0
91.05486	56.1
93.07053	34.0
95.04976	39.4
95.08611	27.0
96.05290	2.1
97.02895	8.8
97.06526	7.9
97.09708	1.7
97.10176	19.2
98.21132	8.9
99.04451	2.1
99.79562	1.8
100.69788	1.9
105.07032	31.4
107.04965	19.8
107.08603	26.6
109.06531	7.4
109.10162	64.6
111.04458	9.3
111.08082	21.7
113.06020	3.6
116.04732	4.2
117.07011	5.8
119.04968	2.0
119.07780	3.0
119.08581	37.7
121.06482	5.3
121.10140	14.7
123.04346	2.3
123.08046	5.4
124.99989	2.1
125.09637	20.5
127.03892	2.7
128.06163	1.8
129.05466	6.6
129.07014	18.1
131.08574	18.4
133.06497	4.8
133.10138	17.2
135.08058	4.5
135.11693	11.5
137.09595	6.4
142.07724	3.0
143.07079	2.3
143.10687	2.4
145.10103	9.9
147.08043	8.0
147.11673	23.0
149.09621	13.9
153.01851	2.7
153.12784	10.3
155.08556	2.2
155.10675	4.1
157.08748	3.7
157.10132	22.4
161.13202	2.1
163.11156	16.3
165.12732	4.6
167.07089	2.1
171.10135	2.4
171.20863	1.8
173.09618	3.3
173.11719	16.4
175.11185	23.7
181.12244	7.9
184.07394	13.0
189.11180	5.0
191.10695	5.4
193.12239	74.7
199.13290	9.1
201.12813	2.3
209.11699	7.1
211.13300	97.8
227.12796	17.5
229.14355	72.9
245.13881	2.6
247.13376	12.4
249.14854	2.9
255.15895	4.4
263.13596	1.9
267.15924	55.9
271.15158	2.3
283.15341	13.1
285.16971	73.3
294.98444	1.9
301.16467	29.3
321.17053	3.1
328.88049	2.4
349.23621	6.5
383.22195	3.4
409.25885	5.2
421.25861	14.6
427.26837	4.2
433.90750	1.9
439.21103	2.9
439.26917	55.9
440.27554	2.0
458.26636	1.9
475.27057	4.7
493.27902	19.4
511.29013	14.3
529.30170	5.6
560.97998	1.9
592.44470	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	726.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50868	0.4
53.03936	1.8
53.58772	0.5
55.01868	2.7
55.05512	6.8
57.03434	5.3
57.07049	0.6
59.04997	1.6
61.02914	0.9
62.50370	0.4
65.03906	1.0
67.05504	32.4
68.05812	0.5
69.03420	2.2
69.07071	4.9
70.33556	1.9
71.04990	10.6
73.02908	0.5
79.05052	0.8
79.05490	12.2
80.80944	0.4
81.03416	22.0
81.07060	13.6
81.13165	0.5
83.01292	0.5
83.04978	3.3
83.08621	7.8
85.02906	1.7
85.06528	1.6
91.05479	13.9
93.07048	11.1
95.04973	11.3
95.08613	7.8
97.02892	1.1
97.06489	2.4
97.10186	3.9
98.20988	1.0
105.03416	0.7
105.07033	6.7
107.04957	8.7
107.08591	7.2
109.02843	0.6
109.06518	7.1
109.10155	21.4
111.04424	1.0
111.08058	2.5
111.09747	0.6
115.05441	0.7
115.93875	0.5
117.07002	3.3
119.04927	1.0
119.08582	8.7
121.06501	5.3
121.10137	3.9
123.08071	2.3
123.11686	1.3
125.09626	4.1
128.06262	0.6
129.05473	0.7
129.06982	3.5
131.08577	6.2
133.06506	1.7
133.10136	4.7
135.08073	4.4
135.11702	4.7
137.09619	4.1
139.11198	0.7
141.06915	0.6
142.07790	1.3
143.08559	1.7
145.06488	2.1
145.10132	4.5
147.08034	2.1
147.11699	3.3
149.09659	3.0
149.13293	1.3
151.11156	1.0
153.09102	0.6
153.12729	0.5
155.08578	1.1
155.10612	1.1
157.10129	3.8
159.08058	0.9
159.11693	1.8
161.09612	1.2
163.11162	3.2
165.12790	0.8
165.77728	0.5
167.07088	0.6
167.10602	1.0
169.10060	0.8
169.12242	0.7
171.07982	0.6
171.11697	1.5
173.09634	0.9
173.11729	3.1
173.13284	1.8
175.11186	3.4
177.12741	1.1
181.12340	0.8
183.11768	0.7
184.07367	1.0
185.13235	1.2
187.11237	1.2
187.13210	0.6
189.09088	0.7
189.11217	1.3
189.12708	0.6
191.14384	1.7
193.12231	4.9
195.11699	0.8
199.11241	0.6
199.13181	0.5
201.12653	0.6
203.10638	1.3
203.14334	0.8
205.12233	1.1
211.13300	2.1
213.12779	0.8
217.12262	0.6
219.13792	3.2
221.15297	0.6
225.12817	0.5
227.12634	0.8
227.77661	0.5
229.14374	1.5
231.13791	1.0
237.14893	0.6
243.15932	1.5
249.14873	1.6
253.14346	1.2
255.15886	0.9
257.15530	0.8
263.16446	0.8
267.15887	10.1
267.18558	0.8
268.16141	0.6
275.16467	1.2
285.17093	0.5
287.18585	3.4
301.14246	0.6
301.21658	0.6
311.19904	1.1
329.21112	4.8
337.21527	1.0
347.22333	0.7
348.58966	0.5
355.22668	2.9
357.24173	1.0
373.23862	0.9
393.24365	0.5
403.24796	4.7
403.73563	0.5
411.25244	1.4
421.20166	0.7
421.25830	15.4
429.26392	8.3
447.27414	100.0
448.27853	4.3
453.28909	0.7
461.28854	3.0
479.29877	5.0
493.23001	0.5
555.29175	0.6
564.31458	3.2
587.31506	0.7
605.33124	0.8
726.37500	1.0
727.34265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65760	1.4
53.03951	8.0
55.01872	8.3
55.05511	47.7
57.03179	2.8
57.03437	30.9
58.81100	1.6
59.04990	4.5
61.02912	5.9
65.03934	4.2
67.05505	98.2
69.03434	8.6
69.07069	15.4
70.63343	4.8
71.01339	3.2
71.05008	11.6
73.02926	2.2
79.05493	54.6
79.82730	1.6
81.03419	93.2
81.06574	3.2
81.07056	57.9
83.04980	22.6
83.08618	43.1
85.02422	3.1
85.02905	39.4
85.06522	5.0
86.09700	1.9
87.04456	7.1
91.03898	1.7
91.05480	56.7
93.07046	36.7
95.04974	41.4
95.08605	21.8
97.02889	11.3
97.06530	7.7
97.10171	26.8
98.20714	1.9
98.21296	2.7
99.04486	1.7
99.99689	1.9
105.07035	30.6
107.04964	14.2
107.08590	21.5
109.06508	5.8
109.10161	58.8
111.04438	5.6
111.08090	14.0
113.06021	3.8
115.05479	1.8
117.06985	6.1
119.04903	1.7
119.08582	33.9
121.06497	6.3
121.10151	14.5
123.08056	5.7
123.11712	1.8
125.09627	26.1
127.03902	2.0
128.06239	2.5
129.05467	4.6
129.07013	15.5
131.08578	17.9
133.06454	4.6
133.10121	17.1
135.04460	2.1
135.08018	2.9
135.11707	8.0
137.05971	2.1
137.09612	4.6
142.07797	4.3
143.07013	2.7
143.10655	4.4
145.10124	7.5
147.08034	3.3
147.11696	20.3
149.06279	1.8
149.09657	9.1
153.01826	2.1
153.09076	2.1
153.12744	4.8
155.08598	1.6
155.10608	3.7
157.08870	2.2
157.10165	17.5
161.09666	3.1
163.11160	11.0
165.12779	4.2
167.07082	2.8
171.10219	1.5
173.09592	3.8
173.11743	19.3
175.11179	18.2
181.12231	6.5
183.11638	1.6
184.07370	9.2
189.11212	4.0
191.10625	3.2
193.12248	72.1
194.12729	1.6
199.13326	10.4
209.11711	7.1
211.13304	100.0
217.14310	4.1
227.12782	18.6
229.14349	76.4
247.13284	3.9
249.14891	3.4
257.13797	1.8
267.15924	46.0
283.15439	10.5
285.16968	67.6
301.16464	31.8
321.16937	2.3
383.22806	1.6
401.23196	3.3
409.25653	6.2
421.25854	14.5
427.26752	5.1
439.21088	3.5
439.26926	55.2
457.25812	1.8
475.26880	5.8
493.27896	17.3
494.56363	1.6
511.28964	19.0
529.29974	6.5
633.78900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71786	0.7
52.06202	0.8
55.01860	2.7
55.05511	12.0
57.03440	12.5
65.03952	1.3
67.05506	18.0
69.03425	3.3
69.07063	4.7
69.50900	4.9
71.01348	0.9
71.04985	3.2
79.05494	19.0
81.03419	84.0
81.07057	19.1
83.04983	7.8
83.08614	20.2
85.02908	9.8
85.06556	1.7
91.05482	25.4
93.07038	12.6
95.04971	27.7
95.08604	7.7
97.02895	3.5
97.06535	3.1
97.10174	4.9
98.20808	2.1
99.99553	0.8
103.05467	1.4
105.06375	1.6
105.07032	19.7
107.04961	7.5
107.08599	9.0
109.06516	5.5
109.10151	2.9
111.04459	2.6
111.08081	9.4
113.06039	1.1
115.05444	1.2
117.07005	2.9
119.04938	0.9
119.08589	16.4
121.06500	3.4
121.10157	8.4
123.08080	3.0
125.09644	4.4
129.07007	12.3
131.05013	0.9
131.08571	12.6
133.06505	4.1
133.10127	7.3
135.08037	1.6
135.11703	1.3
137.09599	1.7
142.07768	2.0
143.08540	1.3
145.06509	4.9
145.07484	0.8
145.10129	3.3
147.08104	4.2
147.11685	11.8
149.09592	6.6
155.08620	1.0
157.06500	1.0
157.10144	12.5
159.07961	1.1
159.11684	0.9
163.11140	1.8
165.12753	1.7
169.06351	1.0
169.10130	1.1
171.11664	1.1
175.11214	12.2
186.13440	0.8
189.11234	1.2
193.12247	32.9
195.07993	0.9
205.12279	1.3
211.11314	1.8
211.13301	15.8
213.12776	0.8
215.14372	0.9
218.76031	0.8
233.15358	1.4
249.14825	2.0
255.13849	2.9
267.15918	100.0
268.16223	1.9
273.14813	3.8
277.35388	0.9
285.16934	13.6
339.23193	1.1
341.21158	2.0
349.21680	2.8
367.22601	9.0
385.23764	11.2
403.24884	2.6
415.24771	1.2
433.25919	12.0
441.26279	5.7
459.27441	70.6
460.27872	2.7
477.28473	40.6
478.29056	1.5
501.28528	1.3
519.29797	1.5
519.74188	1.0
586.13544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
58.06625	0.5
60.08165	6.0
64.99712	0.1
67.05495	0.3
69.07075	0.1
69.68513	0.8
70.06573	0.1
71.07375	2.9
81.03410	0.2
81.07053	0.2
86.09705	29.4
87.10035	0.3
91.05470	0.2
93.07056	0.1
95.08610	0.2
98.20693	0.1
98.21306	0.4
98.98463	3.3
98.99117	0.2
104.10744	2.6
105.07021	0.2
125.00004	19.7
143.01051	0.2
184.07338	100.0
185.07698	1.4
186.07764	0.2
273.95071	0.1
360.54721	0.1
471.20581	0.1
551.57086	0.2
688.45465	6.0
689.44702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01874	2.8
55.05511	22.9
57.03441	13.6
58.06599	1.2
59.04972	1.4
60.08168	5.6
60.22458	0.7
61.02918	2.9
65.03931	2.1
67.05507	46.9
69.03423	4.5
69.07074	8.1
69.93176	3.6
71.04987	4.1
71.07368	2.9
72.98159	0.8
73.02905	1.6
73.39967	0.9
79.05063	1.3
79.05496	23.6
81.03422	38.6
81.07057	25.2
83.04976	11.3
83.08624	17.2
85.02908	18.0
85.06534	2.1
86.09707	29.0
87.04451	3.8
91.05486	24.7
91.06066	1.3
93.07051	16.2
95.04972	15.9
95.08606	11.1
96.37135	0.9
97.02904	3.9
97.06532	2.9
97.10176	12.3
98.20715	0.9
98.21301	2.2
98.98459	3.2
103.03967	0.8
104.10741	2.2
105.07032	16.7
107.04957	4.7
107.08583	9.3
109.06511	4.4
109.10161	27.4
111.04422	2.5
111.08080	5.7
113.06023	2.0
117.07021	2.3
119.08577	14.3
121.06497	1.7
121.10153	6.3
123.04424	0.8
123.08071	2.9
125.00011	20.1
125.00883	1.8
125.09643	11.0
126.19750	0.9
128.06198	1.1
129.07027	6.2
131.08578	8.5
133.06429	2.1
133.10144	9.0
135.11716	1.9
137.09612	2.7
142.07831	1.1
143.10689	1.6
145.10117	3.0
147.08060	2.7
147.11691	7.2
149.09630	3.5
149.60085	0.8
153.12761	1.3
155.10657	2.5
157.10152	8.2
159.11723	1.1
163.11162	3.8
165.12749	2.0
167.07068	1.7
171.41884	0.7
173.11742	7.1
175.11165	8.4
181.12262	1.7
184.07352	100.0
189.11267	1.7
191.10739	1.4
193.12248	27.5
199.13327	5.0
206.52704	0.9
209.11710	2.5
211.13309	38.1
217.14366	1.2
227.12767	3.6
229.14371	33.1
243.15875	1.3
245.13847	0.9
246.94513	0.8
249.15016	0.9
267.13275	1.6
267.15927	15.7
283.15445	2.9
285.16971	29.1
301.16476	8.3
313.16119	0.9
355.22092	1.0
358.58096	0.9
409.25705	2.3
421.25882	7.1
427.26910	2.4
439.26920	26.8
447.27225	0.9
461.28857	1.4
493.27643	2.0
511.29086	7.0
529.29852	2.8
622.33643	4.2
676.35144	4.2
676.46149	0.9
726.38007	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	724.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03938	2.9
55.01626	1.3
55.01874	17.0
55.05513	22.3
56.92355	0.9
57.03189	1.3
57.03437	18.4
57.07063	3.4
58.22300	0.8
59.04999	1.3
61.02928	6.0
65.03945	1.5
67.00831	0.8
67.05506	33.9
69.03434	6.7
69.06763	1.1
69.07072	9.8
69.22743	0.8
70.04195	1.0
71.01347	1.8
71.04993	3.2
73.02924	5.7
77.03114	0.8
79.05058	1.8
79.05496	28.5
80.06243	1.4
81.02979	1.6
81.03422	22.7
81.06576	1.2
81.07058	23.0
82.04202	8.3
83.04984	13.5
83.08619	11.7
84.02135	1.8
85.02906	7.4
85.06522	1.5
87.04466	1.2
91.03958	1.3
91.05487	22.1
93.07054	19.2
94.04170	1.2
95.04975	21.2
95.08618	9.6
96.05771	1.6
97.02889	4.9
97.06541	8.5
97.10180	17.1
98.07322	7.9
98.21124	5.4
99.04428	1.5
99.08070	1.4
101.05997	1.4
104.74241	0.9
105.07029	13.7
107.04951	7.1
107.08595	13.7
109.02862	1.7
109.06522	3.3
109.10166	13.2
110.07338	1.3
111.04427	2.4
111.08098	5.7
113.05991	2.0
115.05425	1.0
116.03949	1.5
116.04713	16.0
117.05471	1.2
117.07008	4.5
119.08587	11.6
121.06497	2.7
121.10143	6.2
123.04375	1.2
123.08065	7.8
125.08742	1.5
125.09639	23.8
127.11214	1.3
129.05487	39.9
129.06926	4.9
130.06046	0.9
130.07739	1.1
131.08574	7.1
133.06519	1.3
133.10129	6.7
135.08064	4.8
135.11693	7.9
136.08812	1.4
137.09641	3.8
139.07533	1.0
143.07027	9.5
143.10669	2.5
145.06499	1.0
145.10121	7.6
146.10774	0.9
147.08009	2.6
147.11682	7.1
149.06107	0.9
149.09586	3.9
153.09097	2.1
153.12729	2.6
157.08598	17.9
157.10097	4.5
158.05740	1.4
163.11192	11.2
165.12781	1.5
171.06456	1.1
171.10167	5.3
173.09618	2.1
173.11736	4.5
175.11218	4.7
181.12199	3.0
184.07336	4.2
185.11739	2.8
189.11203	11.5
191.10646	2.9
192.11368	1.2
193.12244	5.3
197.08217	1.0
199.13361	9.7
200.14018	2.8
201.14793	1.1
209.11708	8.7
210.12466	3.6
211.13283	3.8
217.14360	1.5
225.11241	1.1
227.12770	17.7
228.13283	1.7
229.14363	3.9
247.13390	1.9
248.52390	0.9
255.15910	2.8
267.15915	12.4
268.62369	1.0
283.15451	10.7
284.16113	2.4
285.16751	1.3
301.16467	100.0
302.16788	4.9
309.16718	1.1
355.17587	1.3
425.25833	1.3
443.26074	2.9
455.26575	5.5
459.27130	4.0
460.27792	1.4
475.26843	1.7
477.28479	4.1
493.27881	4.0
509.27377	4.6
510.27740	3.7
527.28528	56.3
528.28748	2.8
551.63428	1.0
675.34344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.7
55.01867	5.2
55.05513	27.5
57.03427	3.7
57.07073	6.8
60.08139	3.9
61.68489	2.5
64.34306	2.7
65.03934	6.2
67.05508	96.2
69.03416	9.0
69.07066	22.8
70.29253	2.5
71.04989	4.8
71.08628	4.3
71.58571	3.4
77.82576	2.5
79.05058	4.4
79.05498	71.1
81.03435	4.9
81.07059	100.0
83.01325	6.6
83.04978	8.0
83.08633	13.7
85.06525	4.1
85.10193	3.2
86.09706	19.7
91.04957	4.8
91.05487	64.7
93.07050	64.0
95.04962	16.9
95.08037	4.7
95.08612	58.5
97.06518	10.7
97.10140	3.0
98.21049	4.9
103.05473	2.8
105.04513	4.2
105.07043	44.8
107.04942	4.9
107.08596	36.1
107.47207	2.7
109.06535	9.8
109.10172	31.6
109.87657	2.7
111.04452	2.9
117.07006	17.1
119.08593	33.1
121.06496	11.5
121.10145	25.8
123.08044	6.7
123.11707	9.4
123.56380	2.9
125.00017	15.8
125.05925	2.6
128.06236	4.6
129.06996	7.2
131.08571	22.0
133.10126	19.2
135.08063	8.2
135.11685	12.4
137.05948	5.1
137.09647	3.3
139.07582	5.1
141.07091	4.2
143.08589	8.8
145.10118	17.2
147.08063	9.9
147.11679	12.3
149.05959	3.2
149.09624	6.7
149.13268	8.9
151.07565	27.3
155.07086	13.0
155.08353	2.7
157.10144	7.3
159.11717	10.3
161.06018	7.3
161.09645	4.6
161.13217	5.3
163.07567	3.3
163.11168	4.0
163.14922	3.0
165.05473	3.4
165.09114	3.3
167.07060	55.9
167.08437	5.9
169.10162	3.3
171.11624	3.7
173.09653	6.3
173.13286	4.7
175.07556	7.7
177.05467	7.7
177.09106	3.1
179.07062	15.6
179.10701	6.4
181.04951	53.9
184.07349	60.1
185.07707	8.0
188.08354	3.8
189.09111	5.3
191.07043	47.3
193.08609	11.5
195.06375	3.5
195.13766	3.3
199.11020	3.9
204.07826	3.6
205.08597	29.9
207.06522	11.6
207.10155	13.6
209.08018	4.2
209.15230	3.1
212.08392	3.2
213.12912	3.1
217.08659	18.2
218.09428	3.4
219.10114	14.9
225.09071	4.3
227.10698	3.7
228.07788	7.2
229.08557	13.9
231.10219	20.5
231.17303	3.4
233.11714	10.7
235.09637	8.7
235.17041	3.1
241.08467	4.2
243.10222	22.6
243.21042	5.2
244.10959	9.8
245.11703	11.2
255.10266	4.2
257.11746	6.1
261.11179	6.6
261.22141	21.8
273.15274	2.7
273.18616	13.4
291.19586	13.4
369.20572	4.1
381.24362	3.3
383.22232	19.4
387.21738	3.9
391.22943	3.5
401.23297	28.8
409.23749	18.2
415.28253	8.7
427.24875	83.7
445.25867	17.6
465.32697	2.8
467.37421	4.6
468.37515	9.5
526.41699	10.6
622.27710	9.6
705.47449	15.2
723.47498	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	722.497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80872	0.3
55.05506	0.6
56.05033	0.5
57.03417	0.3
57.07064	1.0
57.46230	0.2
58.06609	0.4
60.08170	6.3
65.27236	0.3
67.05499	1.1
69.07085	0.3
71.07378	3.3
71.08624	0.5
72.23262	0.3
79.05486	0.3
81.03442	0.3
81.07066	1.5
82.87048	0.3
83.08625	0.4
85.10154	0.4
85.96539	0.3
86.09708	28.7
91.05515	0.4
93.07046	0.4
95.08597	0.6
97.06506	0.4
98.20884	1.6
98.21581	0.6
98.98477	2.9
104.10751	1.9
105.06996	0.4
111.94839	0.3
114.27782	0.3
115.89603	0.3
121.10207	0.3
123.11674	0.3
125.00011	18.7
133.10112	0.5
135.04700	0.3
184.07349	100.0
185.07588	0.7
232.17877	0.3
243.15901	0.5
287.18375	0.4
313.27429	0.9
315.28046	0.4
481.38870	1.6
524.40356	0.3
525.40680	1.2
690.46716	0.3
722.49475	5.3
723.41425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05512	3.4
56.05029	1.1
57.03428	2.0
57.03666	0.4
57.06826	0.6
57.07081	9.3
59.04995	0.4
59.70589	0.4
60.07919	0.5
60.08169	5.5
61.02917	1.0
65.03945	0.7
67.05506	20.9
67.39590	0.4
69.07066	3.0
71.05001	4.1
71.07384	3.0
71.08287	0.6
71.08638	8.8
71.58595	0.5
71.85030	0.4
74.19940	0.4
79.05499	3.1
81.03430	0.6
81.07064	8.3
81.51189	0.5
83.04958	0.8
83.08615	4.0
85.02908	0.6
85.06523	0.9
85.10195	4.4
86.09708	30.5
86.95588	0.4
91.05491	4.5
93.07041	4.4
94.17784	0.4
95.04962	0.8
95.08613	8.1
97.06509	1.0
97.10168	1.9
98.98468	2.7
104.10751	2.2
105.07055	2.2
107.08607	2.2
109.10164	19.2
111.11754	0.6
117.89734	0.5
119.08584	3.1
121.10147	1.6
123.11713	1.0
125.00008	19.8
133.10172	0.9
135.11693	2.2
137.09628	2.5
145.10139	1.2
147.11636	0.5
149.45485	0.5
155.10670	0.7
160.53699	0.5
163.11237	1.1
167.07071	0.6
173.11740	2.9
181.12340	0.5
184.07349	100.0
185.07687	1.3
231.10191	0.5
233.11638	0.9
239.23589	1.1
255.15892	1.7
287.18427	3.7
313.27350	9.6
467.37372	27.7
468.37543	1.0
481.38626	0.7
493.38885	2.7
525.41553	25.3
526.41608	1.1
722.34271	0.7
722.46008	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	722.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.1
57.03427	5.2
57.07077	26.3
60.08166	6.1
61.02924	2.0
67.05507	63.4
69.03424	1.7
69.07060	8.7
71.04996	16.7
71.07375	4.0
71.08635	19.3
71.28821	1.3
71.29153	1.4
73.02904	1.2
79.05492	9.9
80.36420	1.2
81.03432	1.5
81.07058	24.8
83.04993	2.5
83.08619	9.6
85.02904	2.5
85.06556	3.0
85.10176	12.1
86.09709	27.2
91.05492	10.5
93.07053	8.7
95.04996	1.6
95.08609	21.6
97.06488	1.5
97.10179	3.5
98.98472	2.7
99.08077	1.8
99.11749	1.4
104.10747	3.0
104.77493	1.2
105.07042	3.6
107.08601	4.7
108.46264	1.3
109.10164	53.7
109.10918	2.9
111.08095	1.9
119.08592	7.2
121.10149	1.6
123.11702	3.2
125.00008	17.9
130.84915	1.2
135.11696	7.0
137.09630	7.0
145.10107	1.7
147.93697	1.4
149.13216	1.5
160.32474	1.4
162.98151	1.2
163.11203	2.1
167.07071	1.4
173.11722	9.5
181.12202	2.4
184.07339	100.0
185.07501	1.4
187.13319	1.3
234.78853	1.2
239.23778	2.0
255.15927	5.7
257.24890	1.5
281.34760	1.3
284.25046	1.2
287.18579	21.1
313.27356	19.5
328.64847	1.6
467.37335	95.0
468.37616	4.6
481.38855	3.8
493.38568	3.9
525.41473	81.1
526.41913	3.7
622.27734	2.1
660.21893	1.3
676.45770	5.6
722.45654	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	723.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
54.91191	2.9
55.01870	13.2
55.05518	37.2
55.90419	3.4
57.03448	16.7
61.02914	5.9
65.03951	3.4
67.05162	5.5
67.05509	75.3
69.03450	8.1
69.07076	24.7
71.03373	3.0
71.04990	13.3
71.57928	4.4
79.05494	48.8
80.37297	3.1
81.03425	31.5
81.07066	61.2
83.04977	12.6
83.08626	22.5
84.76088	2.9
85.02913	13.3
85.06524	4.9
91.03984	3.6
91.05489	56.7
91.18670	3.2
93.07047	50.9
95.04990	20.5
95.08603	33.1
97.02902	10.9
97.06534	19.1
97.10169	8.8
99.08130	4.7
105.07037	56.8
107.04969	8.9
107.08601	30.2
109.06539	7.8
109.10152	23.6
111.04434	5.0
111.08062	8.0
115.05474	6.7
117.07008	19.8
119.08590	31.9
119.16975	3.5
121.06527	5.3
121.10144	21.8
123.08046	9.4
125.09630	6.3
127.03903	5.0
129.07048	20.8
131.08592	33.9
133.10132	29.0
135.08032	4.5
135.11693	12.3
137.09622	4.7
141.07016	8.7
143.08580	19.6
145.10126	27.0
147.08131	4.9
147.11697	16.0
149.09637	10.6
149.13304	9.5
151.11157	4.8
155.08578	14.3
157.10112	25.7
159.11710	17.1
161.09653	4.0
161.13264	12.4
163.11224	7.4
167.08553	5.8
169.10173	13.0
171.11676	11.5
173.09663	3.7
173.11763	6.0
173.13242	7.9
175.11224	6.0
177.12764	3.9
179.14378	8.0
181.10143	6.6
183.11755	14.0
185.13268	12.4
187.11246	4.2
187.14810	4.6
189.11095	3.5
193.12247	9.6
195.11662	6.9
197.13309	9.1
199.14825	7.8
207.11595	3.5
209.13278	9.2
211.13197	6.0
211.14955	7.0
223.14806	6.8
227.12776	7.6
229.14380	7.0
241.19598	3.7
259.20612	10.1
267.16003	14.3
269.17462	7.4
271.20721	3.3
275.20111	11.4
315.23135	6.1
333.24252	6.6
349.23822	8.0
415.29736	4.9
423.32404	4.2
433.30954	12.2
451.31964	13.2
469.33096	9.6
489.32797	4.5
507.34610	8.2
517.35309	6.0
525.35760	40.7
543.36774	100.0
544.37115	10.3
561.37817	38.4
705.40460	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	722.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69525	0.9
53.03941	3.5
55.01870	6.1
55.05512	14.5
57.03438	11.4
59.05002	1.2
61.02916	1.7
65.03954	1.1
67.05180	1.1
67.05508	21.0
69.03434	5.0
69.07083	8.8
69.48466	7.2
71.04973	4.6
72.88234	0.9
74.46711	1.0
79.05058	1.7
79.05491	26.1
81.03419	55.6
81.07055	27.3
82.03738	1.6
83.01344	1.2
83.04984	8.4
83.08620	18.7
85.02907	5.3
85.06535	1.7
86.09705	1.3
91.05486	22.0
92.05790	1.4
93.07040	24.5
95.04972	21.7
95.08609	23.2
97.02916	5.5
97.06535	6.9
97.10164	4.1
98.21085	3.9
99.04451	2.9
105.06373	1.8
105.07035	19.6
106.07316	1.1
107.04959	11.1
107.08590	18.6
109.02863	2.2
109.06510	6.2
109.10171	4.9
111.04436	6.9
111.08083	6.9
113.05960	1.1
115.05402	2.0
117.07018	6.1
119.08582	18.6
121.06481	5.8
121.10151	13.2
122.10529	1.1
123.08044	2.4
125.05997	2.4
125.09600	2.1
127.03919	1.6
127.88731	0.9
129.07010	8.1
131.08589	9.0
133.06505	1.8
133.10127	9.4
134.10396	1.1
135.08040	1.2
135.10674	1.6
135.11694	25.7
137.09584	2.0
142.07788	1.6
143.08598	1.2
145.10130	19.0
146.10484	1.3
147.08084	2.6
147.11694	6.9
148.12030	1.2
149.09607	4.9
152.94008	1.0
153.12727	2.8
155.08600	1.3
157.10106	7.7
161.09627	1.0
163.11192	36.1
165.12769	1.3
169.09927	1.2
173.09598	2.7
175.11235	7.0
181.12227	8.2
184.07298	2.9
191.10617	1.8
191.22346	1.1
193.12233	19.8
209.11726	3.4
211.13312	8.7
212.13600	2.0
223.13298	1.5
227.12784	35.1
241.14288	2.6
249.14760	1.4
267.15918	92.7
268.16385	2.3
275.20078	5.1
276.20297	3.4
281.90662	1.2
283.15399	53.2
284.15659	1.4
285.16965	5.9
315.17929	2.1
325.91800	1.0
349.23892	1.2
350.23920	1.8
375.18130	1.1
383.22311	5.1
401.23120	1.3
438.26022	0.9
457.25784	6.5
475.26913	100.0
476.27280	5.7
493.27899	8.6
507.29306	2.2
525.30414	7.5
542.35260	2.3
560.36755	2.1
704.40332	2.9
722.41498	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01868	5.3
55.05509	9.0
57.03440	7.7
59.04983	0.9
67.05169	0.9
67.05504	12.3
69.03430	1.8
69.07072	3.9
69.22060	2.8
69.22484	5.1
71.04990	1.8
79.05500	13.5
81.03422	35.4
81.07060	13.0
83.01338	3.8
83.04986	7.2
83.08617	10.6
85.02911	3.2
85.06555	1.2
91.05486	13.2
93.07043	11.6
95.04972	13.2
95.08617	6.2
97.02900	2.0
97.06520	3.1
97.10194	5.4
99.04420	1.2
101.17894	0.6
103.06852	0.7
105.07035	8.8
107.04952	6.0
107.08598	7.2
109.02892	1.1
109.06524	4.1
109.10186	3.4
111.04486	1.7
111.08093	3.8
117.07015	4.6
119.08591	8.8
119.40220	0.7
121.06519	2.8
121.10157	5.1
123.04496	1.0
123.08068	5.4
125.02321	0.7
125.09623	4.2
128.06229	0.8
129.06992	5.6
130.07771	0.6
131.04942	0.9
131.08569	5.2
133.06516	2.6
133.10114	3.5
135.08067	2.2
135.11685	4.5
137.06058	0.9
137.09705	1.1
139.07495	0.8
142.07794	1.3
143.08545	1.4
145.06490	2.7
145.10109	7.3
147.04453	1.0
147.08093	2.5
147.11700	2.1
149.09627	3.1
153.12750	2.4
155.08577	0.9
157.10118	3.7
159.08098	1.2
159.11719	1.4
161.06001	3.3
163.11183	10.0
165.12804	1.1
169.10162	0.8
171.11674	0.7
173.09613	2.8
175.11205	3.7
181.12263	1.7
185.13309	0.8
189.09129	1.4
189.11253	1.4
191.10687	2.6
193.12302	8.1
195.11606	1.0
209.11720	2.6
211.11339	0.8
211.13309	2.3
225.12712	0.8
227.12823	3.1
231.13805	2.3
249.15005	1.6
265.14340	1.3
267.15942	24.1
269.15305	1.1
271.13275	1.4
273.14948	1.0
283.15417	19.3
284.15854	1.4
285.17001	0.8
289.14276	3.6
337.21722	1.4
355.22751	1.9
365.21048	2.4
383.22180	17.3
401.23178	7.0
403.22739	0.8
419.24338	2.5
431.24231	1.1
439.25308	2.3
457.19327	1.3
457.25879	27.1
458.26227	1.4
475.26944	100.0
476.27313	6.0
493.28021	11.2
517.27966	1.4
692.59003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40052	2.2
53.03941	12.4
55.01871	35.3
55.05513	55.6
57.03444	18.2
60.59063	2.2
61.02923	4.4
65.03944	5.9
65.50681	2.7
67.05507	75.1
68.53905	2.4
68.54391	2.2
69.03423	24.0
69.06716	3.4
69.07072	39.8
69.22574	23.6
70.07320	2.5
71.04991	10.5
79.05053	5.2
79.05496	78.9
80.05811	3.2
81.03422	100.0
81.07061	79.7
83.04981	34.2
83.08615	30.7
85.02912	19.9
85.06564	4.5
88.76872	2.7
91.05486	78.4
93.07048	62.4
94.84767	2.4
95.01341	3.0
95.04977	43.1
95.08611	38.5
97.02904	25.9
97.06542	41.1
97.10174	18.3
98.21239	12.8
99.04473	6.3
99.08092	5.0
103.04012	2.9
103.05483	3.9
105.07030	74.7
105.79649	2.3
107.04964	30.7
107.08597	45.5
109.02884	21.1
109.06506	12.1
109.10146	19.4
111.04434	15.3
111.08097	14.6
113.34993	2.6
115.05472	3.0
117.07015	19.3
119.08592	48.7
121.06521	10.9
121.10152	25.1
123.04461	3.3
123.08096	11.6
123.11718	8.0
125.09622	15.8
127.03896	13.5
128.06268	4.0
129.05501	4.1
129.06990	18.0
131.04959	2.8
131.08566	30.7
133.06505	7.5
133.10150	40.6
135.08047	12.6
135.11700	14.2
135.12573	2.5
137.09554	6.1
139.11130	2.3
141.06947	4.9
142.07777	3.0
143.08563	10.6
145.06480	5.9
145.10109	20.6
147.08109	7.6
147.11693	32.9
148.12036	3.6
149.09625	36.2
149.13228	4.2
151.07487	2.9
151.11221	3.9
153.09061	3.4
155.08606	5.9
157.10172	14.0
159.08075	5.3
159.11687	13.8
161.09642	8.5
161.13272	7.5
162.04050	2.4
163.11201	11.6
165.09093	2.9
165.12740	3.8
169.10202	6.3
171.11731	9.8
173.04488	4.5
173.09608	4.7
173.13263	8.1
175.11186	13.9
177.12756	4.7
179.14238	4.2
183.11708	5.4
185.13321	5.8
187.11212	5.4
189.11232	9.8
189.12721	3.2
191.10712	4.2
193.12236	34.1
197.13196	2.5
200.03185	3.0
207.13678	2.8
211.11322	4.5
211.13284	46.0
211.15268	3.2
213.12883	2.8
227.12784	23.3
229.14354	4.5
229.19658	2.8
239.17935	4.9
247.20494	3.2
257.19058	10.8
265.14066	2.4
267.15952	19.2
268.16327	2.8
275.20059	91.5
276.72678	3.1
279.15997	3.6
285.16937	9.9
293.21124	10.4
330.99899	2.3
341.21417	4.1
349.23755	57.4
367.24823	3.0
407.24368	2.5
411.20059	7.1
419.23990	4.0
429.21115	21.4
467.31427	3.2
474.29324	8.5
523.34222	3.8
541.35358	42.2
542.35529	3.1
559.36365	35.7
560.37262	2.7
667.37750	3.3
685.39093	4.4
703.40527	30.4
704.41937	3.5
708.94604	2.9
721.41473	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	722.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.2
53.03944	1.3
54.17693	0.2
55.05509	0.5
57.03439	1.4
69.03438	1.5
69.50124	1.1
70.24395	0.1
71.04982	0.6
73.02908	0.7
75.04488	0.2
77.03915	0.2
78.50167	0.1
79.05481	0.5
81.03419	2.3
81.07070	0.2
83.04972	0.7
85.02908	2.2
91.05476	0.5
93.07009	0.2
94.06552	0.3
95.04972	0.8
97.02876	1.0
98.21107	0.6
99.04459	4.6
102.12904	0.2
103.03943	0.7
103.05469	0.4
104.04995	1.2
105.03419	0.2
105.07032	3.7
107.04937	0.9
109.02885	6.5
109.06507	0.2
111.04454	0.3
115.03915	0.1
115.05428	0.2
117.05511	1.0
117.07017	0.5
119.08595	0.3
120.50333	0.2
121.06516	0.4
122.03660	0.3
122.06000	0.5
123.04430	0.2
123.08043	0.2
127.03922	6.8
128.06294	0.4
129.06967	0.2
131.04933	0.4
131.08566	0.2
132.04456	5.9
133.06496	5.2
135.04398	0.3
136.05226	0.2
137.05983	9.5
141.05513	0.3
141.40349	0.2
143.08557	0.3
145.04974	0.7
145.06487	0.3
147.08020	0.4
149.05957	0.4
150.06825	0.2
151.07561	0.4
153.01834	0.3
157.08626	1.4
159.06526	0.6
159.07878	0.2
160.03931	0.2
161.05998	0.3
161.09621	0.4
163.07552	1.6
165.09132	3.5
167.02702	0.2
167.06972	0.3
169.04961	0.2
171.08017	0.2
175.07549	2.2
175.11200	0.3
176.48544	0.2
177.05620	0.2
177.09102	1.2
178.04997	100.0
179.05338	1.8
181.05002	0.2
181.08669	0.3
183.06557	1.5
183.10162	1.7
187.05960	0.4
189.09090	0.7
193.08601	0.4
194.56371	0.2
201.07587	1.5
203.10643	1.1
205.07074	0.4
207.10207	0.3
209.08224	0.3
221.11725	1.9
231.10173	0.2
239.12720	0.6
253.07050	0.3
255.10042	0.3
257.13837	3.4
271.08136	0.6
273.11224	0.5
281.13693	0.5
291.12180	0.3
311.12750	0.2
323.14902	0.4
340.10239	1.3
345.11746	0.6
347.14835	0.9
365.15952	6.4
383.17227	0.2
389.15787	0.2
422.14282	0.5
448.12048	0.3
466.13599	0.3
473.18176	1.3
491.19159	1.6
506.31656	0.2
509.20151	0.5
527.21100	0.3
549.69135	0.2
614.90100	0.2
722.26447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.9
55.01662	2.0
55.01875	24.7
55.05301	2.1
55.05515	25.8
57.03450	11.2
61.62252	2.1
64.61011	1.9
65.03945	2.4
67.05167	3.6
67.05508	48.8
69.03431	18.8
69.07066	27.0
69.85186	5.4
69.85594	4.3
71.04988	6.8
79.05056	3.4
79.05495	44.2
81.03422	75.7
81.06575	2.7
81.07060	55.4
83.04530	2.5
83.04991	21.0
83.08623	21.5
85.02927	11.6
85.06533	2.3
91.05488	57.8
93.07046	36.5
95.01324	8.1
95.04974	24.8
95.08609	30.2
97.02901	18.1
97.06535	41.4
97.10170	6.2
98.20918	4.8
98.21473	3.5
99.04480	3.9
105.07037	66.7
107.04954	23.7
107.08602	21.6
109.02870	7.1
109.06528	5.7
109.10180	11.1
111.04433	7.4
111.08083	7.9
115.05448	3.0
117.07001	14.5
118.97514	2.0
119.08589	41.4
121.06489	3.5
121.10152	16.8
123.04441	2.9
123.08060	4.8
123.11700	2.4
125.09640	3.9
127.03940	6.9
129.05473	5.6
129.07001	11.0
131.08580	24.3
133.06485	3.3
133.09213	3.7
133.10132	36.9
135.08080	4.2
135.11687	8.3
137.09627	5.1
137.49684	2.0
139.07555	3.2
141.07022	2.5
142.07751	3.9
143.08589	6.8
145.10120	17.8
147.08121	2.9
147.11696	23.3
149.09621	8.6
149.13254	3.4
155.08607	3.5
157.10120	12.5
159.11705	8.5
161.13261	3.9
163.11172	5.8
165.12740	3.7
169.10141	3.3
171.11717	4.0
173.04469	2.6
173.13284	5.1
175.11205	7.4
177.12817	2.6
179.14400	11.9
181.12230	4.4
183.11740	3.1
185.13226	2.1
187.11230	4.6
191.10658	2.0
193.12254	26.4
195.13866	2.2
197.13292	2.9
211.13284	34.6
211.15187	2.3
227.12796	4.3
247.20515	2.8
249.15013	2.5
257.19077	10.6
267.15918	33.4
275.20074	100.0
276.20453	4.3
285.17047	8.2
293.21097	9.0
337.16492	2.4
349.23764	41.7
350.24011	2.4
355.17645	3.8
411.19949	4.2
429.21292	40.3
492.01315	2.2
517.96240	2.0
541.35278	56.0
542.35364	2.5
549.46814	2.1
559.36292	17.6
703.40436	47.7
704.41083	3.5
721.37671	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	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
53.03944	9.9
55.01872	31.5
55.05515	26.2
57.03425	11.6
65.03946	4.8
67.05161	4.0
67.05504	50.3
69.03432	13.7
69.07064	29.6
71.04985	6.5
78.76536	2.3
79.05489	47.8
81.03418	67.3
81.07056	59.6
83.04983	29.3
83.08621	18.1
85.02475	2.1
85.02912	14.2
85.06532	2.7
91.05479	65.5
93.07048	51.5
95.00755	2.8
95.01334	8.7
95.04962	24.5
95.08607	34.3
97.02888	16.3
97.06530	55.5
97.10189	6.3
98.20856	11.1
99.04465	6.0
102.70468	2.4
105.07033	84.4
107.04956	22.5
107.08594	21.4
109.02886	8.5
109.06509	10.0
109.10162	12.5
111.04459	7.6
111.08080	8.0
112.14272	2.5
117.07020	17.5
119.08586	45.0
121.06522	6.8
121.10135	14.3
123.04449	2.8
123.08079	6.2
123.11734	3.9
125.09644	7.4
127.03913	5.3
129.07007	10.9
131.08568	32.1
133.06497	4.3
133.10132	48.2
135.08070	8.3
135.11691	9.7
136.08305	2.5
137.09715	4.5
142.07825	2.7
143.08554	3.9
145.06544	4.0
145.10130	16.6
147.08025	3.2
147.11697	23.4
149.09634	12.7
149.13248	3.5
151.11133	5.0
157.10135	11.8
159.08047	3.0
159.11743	16.7
161.13263	4.5
163.11211	9.4
165.12743	3.3
169.10147	3.6
171.11676	4.5
173.04416	2.9
173.13179	4.7
175.11189	9.4
177.12746	5.4
179.14297	15.2
181.12312	3.3
185.13257	2.5
187.11212	5.6
191.10593	2.5
193.12222	18.5
201.12636	2.3
211.13300	27.8
227.12845	4.1
247.20580	3.3
249.14957	2.7
257.19034	7.3
267.15903	17.0
273.18536	3.1
275.20056	100.0
279.15900	3.3
285.16940	6.8
291.19540	2.9
293.21106	10.5
298.83243	2.6
349.23734	42.8
355.17496	6.7
411.20126	6.3
429.21057	17.6
541.35199	50.1
542.35535	2.4
559.36279	20.4
685.39514	3.1
703.40533	51.2
704.40509	3.9
721.39825	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.1
55.01874	9.1
55.05515	36.7
57.03440	16.1
57.05140	1.9
61.02926	3.4
65.03938	4.5
67.05506	66.1
69.03432	29.3
69.07080	19.8
70.83582	7.1
71.01321	2.3
71.04984	17.0
73.54124	2.1
79.05492	54.7
81.03419	100.0
81.07060	77.7
82.55360	2.3
83.04987	26.0
83.08624	22.5
85.02907	20.3
91.03968	2.6
91.05487	57.6
93.07049	47.3
94.43142	2.0
95.04968	30.6
95.08607	38.2
97.02891	19.8
97.06544	17.7
97.10153	9.5
97.44255	2.4
98.20962	3.0
99.04450	8.6
99.08121	3.6
103.05450	2.9
105.07030	45.2
107.04948	9.5
107.08603	32.7
109.02885	12.1
109.06517	9.9
109.10160	13.3
111.04476	12.1
111.08062	11.1
115.05489	4.1
117.07042	15.4
119.08590	39.9
121.06490	8.6
121.10155	20.7
123.08052	8.8
123.11662	5.2
125.09621	9.6
127.03942	13.6
128.06213	5.4
129.05482	4.1
129.07001	19.0
131.08583	31.4
133.06473	5.4
133.10138	32.1
135.08073	8.3
135.11678	9.1
137.09608	7.5
141.07080	3.0
142.07773	5.1
143.08539	13.0
145.06500	5.6
145.10139	21.4
147.08038	6.4
147.11696	27.1
149.09637	14.4
149.13268	5.6
151.11183	4.1
155.08553	5.6
156.09341	2.4
157.10149	19.7
159.08141	3.5
159.11705	15.4
161.09613	5.5
161.13242	2.5
163.11186	10.3
165.12837	3.9
167.08540	3.7
169.10153	8.9
169.81918	2.2
171.11696	9.1
173.04509	26.0
173.09685	2.8
173.13217	5.6
175.11159	11.2
177.12843	3.1
179.31084	2.0
181.12137	3.0
183.11681	8.4
185.13287	6.7
187.11064	2.6
189.11288	3.1
191.10561	2.8
193.12254	27.0
195.13849	4.4
197.13235	4.9
199.11218	3.2
211.13266	39.5
211.15179	2.2
213.12727	2.9
214.99042	2.4
217.15785	2.4
227.12735	7.2
227.52277	2.5
229.14316	3.3
229.19499	5.2
238.27141	2.2
239.17982	4.3
247.16876	2.5
247.20438	3.0
249.15025	2.9
257.18945	7.0
267.15952	18.7
269.17459	3.2
273.18509	4.0
275.20093	40.3
285.16962	13.4
293.21036	3.9
299.19919	2.9
308.17566	2.3
349.23785	17.5
406.83994	2.4
429.21082	4.1
461.29041	9.2
467.31461	4.5
479.29681	3.3
508.32532	2.6
513.35657	3.4
523.34106	4.2
541.35138	24.1
559.36322	25.6
605.32782	3.2
623.33868	9.9
703.40143	10.1
721.41577	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	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.9
55.01868	17.0
55.05264	2.5
55.05511	37.9
57.03434	16.2
57.07059	2.1
61.02921	3.9
65.03941	4.5
67.05507	68.1
69.03426	25.7
69.07068	26.3
69.44471	11.3
71.04988	11.4
73.02905	1.8
79.05493	75.6
81.03419	100.0
81.07058	92.5
82.03767	1.8
83.04546	2.6
83.04987	31.9
83.08627	34.1
85.02907	22.6
85.06535	5.1
91.05481	69.2
93.06459	3.9
93.07046	55.8
95.01283	1.8
95.04971	37.7
95.08607	45.3
97.02890	27.3
97.06522	17.3
97.10165	9.6
98.21474	3.2
99.04462	6.1
99.08085	2.6
105.04516	2.5
105.07030	66.5
107.04968	21.4
107.08590	42.6
109.02879	15.3
109.06524	21.4
109.10157	17.2
110.72723	2.2
111.04438	14.5
111.08088	14.2
113.05997	1.9
115.05431	4.0
115.71254	1.8
117.07021	22.0
119.08580	55.1
121.06488	11.3
121.10148	28.4
123.04417	3.7
123.08075	12.3
123.11690	9.4
125.05980	3.4
125.09624	8.9
127.03923	12.6
128.06187	4.8
129.05458	4.7
129.06992	18.9
131.08575	30.2
133.06482	7.5
133.10123	30.9
135.08070	10.7
135.11693	19.6
137.05998	2.4
137.09630	5.3
141.06975	4.0
142.07715	2.9
143.08540	7.6
145.04898	2.4
145.06496	3.7
145.10123	32.8
147.08034	7.2
147.11684	33.8
149.09621	19.4
149.13254	5.8
151.11171	6.0
153.12738	2.3
154.07744	2.7
155.08539	6.2
157.10120	18.8
159.08109	4.1
159.11674	15.3
161.09630	4.6
161.13281	4.8
163.11189	23.9
165.12737	11.0
168.09241	1.8
169.10136	6.9
171.08112	2.0
171.11679	8.3
173.04449	4.5
173.09586	2.8
173.13184	10.2
175.11154	15.8
177.12773	3.8
179.08739	1.9
181.12238	4.2
183.11676	6.8
183.13672	1.7
185.09415	2.1
185.13251	4.6
187.11278	2.6
187.14879	2.9
189.11208	4.7
191.10686	3.9
191.14290	4.3
193.12244	40.4
194.12660	2.7
195.13792	2.7
197.13248	4.2
201.12717	4.8
209.13370	2.2
211.11317	2.5
211.13287	50.1
211.15248	2.9
212.13577	2.0
213.12961	2.5
215.14325	2.3
215.17944	2.3
217.15771	2.4
227.12782	18.1
229.14352	6.3
229.19446	2.9
239.17967	8.2
247.16838	2.0
247.20680	5.6
257.18961	19.6
267.15918	49.6
275.20062	89.3
283.15405	17.8
285.16965	20.6
287.19922	2.2
293.21234	12.3
301.14316	2.3
331.22571	2.8
337.16388	4.4
349.23724	38.9
355.17484	6.0
367.24490	5.1
383.22131	4.4
390.33945	1.8
393.19138	2.4
401.23059	5.1
411.19983	4.6
419.24393	2.4
429.21063	12.5
449.29858	2.6
457.25781	3.5
467.31284	3.6
475.26859	29.5
523.34229	3.3
541.35175	36.8
542.35107	3.3
559.36230	38.4
577.37317	5.7
617.40552	2.1
654.89575	2.2
667.37671	3.7
685.39618	3.0
703.40540	23.6
704.39246	3.0
721.41736	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01886	2.4
55.05514	17.2
57.03181	1.7
57.03437	19.0
57.07080	28.4
61.02928	4.2
63.45161	1.1
66.71620	1.3
67.05506	24.7
69.03430	4.9
69.07063	12.3
69.63554	3.8
69.63979	3.5
71.04990	4.6
71.08636	23.8
73.02927	1.8
79.05496	17.0
81.03424	49.6
81.07061	29.4
83.04995	12.4
83.08621	22.2
84.77905	1.1
85.02905	21.0
85.06545	2.2
85.10183	14.0
86.09728	2.4
87.04491	1.2
89.06030	1.2
91.04000	1.7
91.05487	25.3
93.07047	14.0
95.04974	19.5
95.08614	24.6
97.02896	4.6
97.06529	3.2
97.10160	6.1
103.07611	1.5
105.07033	15.2
107.04932	5.9
107.08597	6.3
108.87221	1.2
109.06527	4.0
109.10164	10.9
111.04468	1.6
111.08099	8.2
113.06051	2.1
119.08591	12.9
121.10162	6.2
123.08070	2.3
123.11703	3.6
125.00044	1.3
125.13219	1.1
129.06999	9.1
131.08578	8.7
133.06531	2.6
133.10159	9.3
137.09648	1.5
137.13289	1.3
142.07820	2.1
145.10133	1.3
147.08049	2.0
147.11707	10.2
149.09624	6.5
157.10135	11.0
165.12790	2.1
175.11180	10.6
184.07335	4.6
193.10912	0.7
193.12254	37.9
211.13309	58.3
212.13614	2.1
228.91148	1.3
239.23788	1.4
249.14693	1.5
267.15912	20.6
285.16995	69.4
286.17203	2.1
313.27390	76.8
314.27707	1.7
465.35532	1.3
505.38992	15.5
523.39984	100.0
524.40216	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	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01878	1.5
55.05508	9.5
57.03435	8.6
57.07078	20.6
59.04983	0.8
61.02917	2.0
67.05507	13.9
69.03417	1.4
69.07071	7.5
69.40887	4.9
71.04984	2.3
71.08630	14.7
73.00711	0.6
79.05495	8.9
81.03418	37.1
81.07058	17.7
83.04992	7.2
83.08620	18.5
85.02905	13.2
85.06524	1.4
85.10187	8.3
89.06010	0.9
91.03954	0.7
91.05480	11.2
91.58308	0.7
91.84766	0.8
93.07042	6.1
95.04963	12.0
95.08606	13.8
97.02898	2.9
97.06525	2.2
97.10177	3.8
98.20913	2.3
98.21487	1.0
100.52568	0.6
103.07589	1.0
103.43452	0.7
105.07027	7.5
107.04967	2.5
107.08593	2.6
109.06491	1.7
109.10149	6.1
111.04360	0.9
111.08078	7.4
113.06006	1.2
117.07059	1.0
119.08578	8.6
121.10146	3.8
123.08108	1.7
123.11700	2.4
125.09648	0.6
129.07043	4.7
131.08566	5.8
133.06485	1.2
133.10097	4.9
137.09622	0.8
142.07806	1.1
147.08061	1.3
147.11703	7.5
149.09660	2.8
157.10085	6.5
163.11192	1.3
165.12804	1.5
175.11206	6.5
184.07352	1.6
193.12241	25.0
211.13300	38.4
257.24847	1.4
267.15909	8.9
283.15369	1.0
284.15784	1.6
285.16962	33.1
313.27362	45.9
314.27826	2.6
333.42166	0.7
402.72931	0.8
473.69360	1.0
505.38916	7.9
523.39929	100.0
524.40308	4.8
623.27521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.4
55.01876	13.4
55.05514	40.3
57.03439	16.5
65.03936	4.6
67.05508	69.5
68.05804	2.9
69.03436	26.2
69.07072	19.8
69.66159	15.4
71.04999	14.8
71.65260	1.9
73.02911	3.4
79.05500	53.7
81.03423	100.0
81.06577	4.2
81.07056	76.3
83.04987	25.5
83.08623	21.8
85.02899	23.1
85.06536	2.8
91.04958	4.4
91.05486	62.4
93.07047	40.8
95.04974	28.9
95.08608	32.6
97.02885	22.9
97.06538	18.1
97.10168	10.0
98.20824	2.8
98.21374	3.5
99.04466	8.6
105.07037	56.0
107.04960	18.2
107.08591	31.9
109.02876	16.2
109.06531	12.8
109.10145	16.3
111.04430	10.7
111.08082	9.5
115.05404	3.6
117.07010	17.9
119.04950	3.6
119.08591	44.0
121.06497	8.6
121.10138	19.5
123.08064	10.2
123.11705	6.2
125.05951	2.7
125.09619	7.5
127.03909	13.2
129.07033	16.0
131.08569	33.3
133.06477	5.1
133.10133	32.4
135.08064	9.0
135.11682	10.9
137.06013	3.9
137.09598	7.6
141.06990	4.4
142.07831	5.8
143.08548	10.6
145.04967	2.3
145.06461	4.5
145.10118	21.8
147.08034	5.4
147.11673	26.2
149.09612	13.0
149.13246	2.9
151.11108	2.7
155.08615	5.3
157.10130	18.4
159.08098	4.3
159.11684	11.4
161.09624	5.1
161.13307	4.5
163.11182	9.7
165.12770	5.5
169.10153	6.4
171.11703	5.9
173.04478	19.0
173.09634	3.9
173.13263	6.9
175.11194	12.1
175.14780	2.8
177.12762	4.1
181.10112	2.6
183.11691	7.5
185.09549	2.8
185.13271	5.2
187.11214	3.3
189.11174	3.4
191.10652	3.6
193.12238	29.1
197.13338	3.4
199.11278	2.6
209.13220	2.8
211.13269	42.7
227.12737	6.6
229.14299	3.7
239.17950	7.1
247.20593	4.4
257.19061	11.6
267.15897	21.8
269.02191	2.4
269.17764	2.5
275.20062	56.7
276.20340	2.4
285.17001	19.4
291.19537	2.7
293.21152	5.6
331.22427	3.4
341.21158	3.4
349.23752	23.8
355.17383	3.1
365.20917	2.4
373.23685	2.8
411.19861	2.5
429.21201	7.5
449.30511	4.7
461.28986	4.3
467.31436	3.1
479.29889	5.3
489.34445	3.0
523.34082	3.6
541.35449	27.3
559.36346	29.5
623.33527	3.4
685.39056	4.3
703.18384	2.3
703.40570	15.7
721.41809	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	720.4445
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
50.42143	0.1
52.68225	0.1
56.05039	0.7
58.06367	0.1
58.06623	0.3
59.07406	0.2
60.08167	6.3
67.05497	0.3
69.07016	0.2
71.07375	3.2
79.02107	0.1
79.05494	0.3
81.07044	0.3
84.61255	0.1
84.81310	0.1
86.09709	31.1
91.05475	0.3
93.07052	0.2
95.08616	0.2
98.20951	0.8
98.98463	3.0
104.10755	2.6
105.07010	0.2
107.08536	0.2
109.10159	0.2
125.00011	20.6
131.08551	0.2
143.01064	0.2
176.50117	0.1
182.11127	0.2
184.07347	100.0
185.07648	0.9
229.07286	0.1
290.01837	0.2
410.65002	0.1
493.49118	0.2
496.33972	0.1
720.44482	5.0
721.44415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01861	1.7
55.05514	9.9
57.03441	14.7
57.07079	35.0
57.69164	0.8
58.12971	0.7
61.02942	4.0
62.12858	1.1
65.03926	1.3
67.05508	18.7
69.03432	2.0
69.07071	12.1
69.36858	6.4
71.04987	2.9
71.08636	24.4
73.02913	1.0
77.27657	0.8
79.05497	13.7
81.03422	33.4
81.07061	24.8
83.04993	8.3
83.08134	1.4
83.08622	22.5
85.02911	18.3
85.06522	1.4
85.09705	1.2
85.10188	12.5
86.09711	1.6
87.04443	1.0
89.06033	1.7
90.78143	0.7
91.05485	18.1
93.07050	8.6
95.04970	14.6
95.08611	21.3
97.02897	3.6
97.06533	1.3
97.10177	5.9
103.07592	1.7
105.07040	11.6
107.04948	4.0
107.08598	4.6
109.06530	1.7
109.10178	9.5
111.04417	1.1
111.08094	5.3
113.06025	1.0
115.05437	1.2
117.07034	1.0
119.08588	9.4
121.06526	1.0
121.10164	5.1
123.08053	1.9
123.11733	4.9
124.99992	1.1
125.09614	0.8
129.07008	6.7
131.08562	6.9
133.06488	1.5
133.10144	6.1
134.81038	0.7
137.13318	1.5
142.07721	1.2
145.10159	1.3
147.08028	2.2
147.11708	9.4
149.09656	4.8
157.10138	8.5
163.11211	1.4
164.66167	0.8
165.12769	0.8
175.11197	7.5
184.07341	6.2
185.07663	1.2
193.12256	23.0
211.13306	36.3
227.44164	0.8
239.23801	1.9
249.14760	0.9
257.24771	1.2
267.15906	13.7
285.16974	39.1
286.17322	1.4
297.80988	0.8
313.27374	87.2
314.27798	1.9
381.81680	0.8
505.38892	18.1
506.38837	0.9
523.39960	100.0
524.40216	5.0
748.01941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03951	4.5
55.01873	1.6
55.05303	0.8
55.05512	9.6
55.52734	0.8
57.03436	5.6
63.21271	0.8
65.03934	1.6
67.05175	1.7
67.05507	23.5
68.26105	0.7
69.03417	2.0
69.07063	5.2
69.23201	8.7
71.04983	2.7
79.05494	35.9
81.03421	50.0
81.07056	23.1
83.04981	8.8
83.08614	11.7
85.02914	1.6
85.06538	1.4
91.05480	31.0
93.07048	31.5
95.03603	0.8
95.04967	21.2
95.08610	13.1
97.02880	2.3
97.06516	2.6
97.10172	2.3
98.21123	4.4
99.04493	1.0
105.04430	0.7
105.07035	25.3
107.04975	5.4
107.08598	12.1
109.06529	4.4
109.10147	3.0
109.10821	0.8
111.04425	1.5
111.08080	4.0
115.05454	1.1
117.07025	4.2
117.07751	0.9
119.04945	0.9
119.08578	16.6
121.06490	3.1
121.10159	4.9
123.08105	3.9
127.07541	0.9
128.06201	1.7
128.45703	0.7
129.07007	13.3
131.08571	5.6
132.62056	0.9
133.06517	2.3
133.10146	6.2
135.07999	1.1
135.11668	1.1
137.09598	1.3
142.07758	2.2
143.08594	3.9
145.10149	4.5
147.08049	4.4
147.11688	19.8
149.09627	2.3
150.76192	0.8
156.92520	0.8
157.10132	5.3
159.11688	1.0
161.09608	2.1
161.13243	4.7
163.11118	0.9
165.12730	1.1
169.10147	1.2
171.11705	9.9
173.04529	1.1
175.11165	4.3
183.97169	0.9
189.12740	3.9
193.12253	10.6
207.13835	9.2
211.13380	1.4
249.14948	0.8
261.79520	0.8
267.15927	37.1
275.20190	0.9
281.17487	39.9
363.01700	0.8
421.25952	1.2
455.27408	1.1
473.28998	100.0
474.29285	4.1
491.29767	1.6
515.29504	1.6
540.33466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01869	4.9
55.05261	1.5
55.05513	21.1
57.03184	1.4
57.03439	19.3
57.07075	1.8
61.02908	4.2
61.03569	1.2
65.03931	3.7
67.05505	41.4
69.03429	8.7
69.07067	18.5
70.53185	1.2
71.04996	8.4
71.94525	1.3
73.02897	1.6
79.05495	46.0
80.05830	1.3
81.03418	100.0
81.07059	42.0
82.03748	2.8
83.04974	23.4
83.08619	24.0
85.02427	1.9
85.02907	30.8
85.06528	5.3
91.03960	2.6
91.05484	47.0
92.05807	1.5
93.06465	2.4
93.07043	39.1
95.04974	31.7
95.08608	24.2
97.02918	8.3
97.06516	9.1
97.10173	5.2
98.21114	9.6
99.04423	1.4
99.08080	2.7
105.07030	32.4
107.04951	11.0
107.08594	17.4
109.02888	6.7
109.06506	6.7
109.10140	10.9
111.04417	3.1
111.08089	11.9
113.05989	3.5
115.05424	2.2
117.07014	7.9
119.07779	2.3
119.08587	33.0
121.06516	10.1
121.10155	14.6
123.08078	6.8
123.11694	3.0
124.27802	1.3
124.99942	1.3
125.09641	3.1
127.03912	2.2
127.07524	1.5
128.06253	1.7
129.07016	15.2
131.08574	15.6
133.06485	3.7
133.10126	19.9
135.08063	3.0
135.11682	5.8
137.09613	3.8
142.07748	4.1
143.08522	6.5
145.10123	5.1
147.08044	4.8
147.11690	16.7
149.09612	6.6
149.13208	1.7
151.11159	2.3
157.10117	14.6
159.11668	4.5
161.09641	5.3
161.13239	2.5
161.39050	1.3
163.11171	3.7
165.12744	2.5
173.13289	2.3
175.11214	13.0
175.14830	5.5
185.13231	5.6
189.09148	2.8
191.10490	1.4
191.74646	1.4
193.12239	39.3
193.15916	2.6
203.14273	2.1
207.10078	1.5
211.13289	50.6
221.15358	44.6
221.17557	1.7
225.11278	3.6
239.16423	49.1
240.16673	1.7
267.15918	28.8
275.19910	1.6
281.13889	6.9
283.15332	2.5
285.16965	55.7
289.08701	1.3
295.19003	12.6
313.16675	3.2
313.20050	31.3
395.25555	1.4
413.26746	3.0
459.27454	1.4
473.25430	4.6
477.28400	2.1
487.30615	18.0
491.26611	9.3
505.31818	19.0
506.32428	1.3
509.27148	2.6
523.33008	54.8
558.35022	2.5
720.40033	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	720.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74473	2.5
53.03934	9.4
55.01870	24.7
55.05264	4.5
55.05512	54.7
55.75607	2.4
57.03188	2.8
57.03445	38.0
57.07050	4.2
59.05003	4.2
60.05188	2.5
61.02929	12.4
65.03944	4.0
67.05506	100.0
69.03431	17.3
69.07063	25.2
69.43832	8.9
69.44263	10.9
71.01360	3.0
71.04982	8.1
73.02913	9.5
79.05067	4.9
79.05496	72.2
81.02978	3.9
81.03424	64.8
81.06582	4.0
81.07059	78.3
82.04198	5.0
82.07371	2.3
83.04980	32.5
83.08620	29.3
83.16467	2.3
85.02895	24.6
85.06525	7.5
91.03934	4.6
91.05483	68.3
92.99722	2.2
93.06477	3.8
93.07052	65.6
94.04189	4.8
95.04975	57.1
95.08607	36.2
96.05764	3.0
97.02903	16.6
97.06530	17.3
97.10175	35.8
98.07310	8.0
99.04431	5.0
99.08105	6.2
101.06030	2.6
105.07040	36.7
106.07324	2.9
107.04958	27.7
107.08595	40.1
109.02881	5.8
109.06509	11.5
109.09563	3.1
109.10178	31.7
111.04424	6.8
111.08067	10.9
115.05460	4.8
116.04717	11.8
117.07025	27.6
118.86501	3.0
119.08594	27.2
121.06493	14.4
121.10161	20.3
121.91959	2.6
123.08063	11.6
123.11698	3.2
125.05968	2.8
125.09630	36.3
127.03896	4.1
128.06236	4.0
129.05486	35.0
129.06960	16.3
130.07831	2.6
131.08574	29.1
133.06493	2.7
133.10120	20.5
135.08055	13.5
135.11679	13.2
137.09601	5.8
141.06969	4.8
143.06996	6.0
143.08548	7.9
145.06584	3.9
145.10135	16.9
147.08029	4.3
147.11671	14.9
149.09622	7.9
149.13281	5.8
153.09052	3.4
153.12755	4.3
155.10701	3.5
157.08588	14.0
157.10126	8.0
159.08119	3.1
159.11652	14.8
161.09662	12.3
163.11189	15.6
165.12733	4.0
167.07111	3.1
167.08609	2.5
169.10081	7.1
171.06502	3.3
171.10118	6.3
171.11620	3.6
173.04379	3.0
173.09642	3.0
173.11717	9.1
175.11185	7.8
177.12750	8.1
184.07416	2.6
185.11775	3.8
187.11186	6.5
189.09671	3.4
189.11203	21.2
191.10599	2.9
193.12260	15.9
199.13321	11.5
205.12224	10.2
209.11716	11.3
211.13242	13.4
223.13303	82.0
227.12793	25.6
229.14366	16.4
239.16354	3.1
255.15944	4.2
263.20593	2.5
267.15918	23.4
273.18515	3.6
275.20316	3.5
279.15900	8.3
281.17249	2.9
282.24530	3.3
283.15381	9.6
284.16138	4.3
285.16962	9.3
297.13507	4.5
297.16968	90.3
301.16458	70.4
391.09860	3.0
393.26169	2.9
421.25790	4.6
439.27072	5.1
451.26553	5.7
455.26309	11.3
461.28683	5.6
473.29529	4.8
489.28729	17.9
505.27667	6.7
506.28568	5.9
507.29361	8.4
523.28894	67.1
558.34882	5.7
561.38416	3.0
654.36011	3.3
702.39667	3.5
720.40051	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	719.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
55.01854	6.9
55.05510	31.1
55.45473	2.1
57.03432	10.9
57.07057	4.7
61.02912	6.3
65.03925	2.8
67.05504	79.1
69.03418	9.1
69.07064	22.9
70.13290	1.8
71.04987	7.6
73.02914	3.4
76.82194	2.0
79.05492	92.3
81.03417	15.0
81.07054	69.2
83.04984	12.3
83.08631	13.1
85.02895	6.0
85.06543	4.7
87.41683	2.0
91.05482	100.0
91.61648	2.0
93.02258	2.3
93.07043	89.8
95.04971	25.3
95.08610	46.7
95.09188	1.7
97.02876	8.4
97.06517	7.9
97.10146	8.0
99.08058	2.6
105.07030	88.7
107.04945	8.8
107.08590	33.7
109.02928	3.3
109.06523	7.0
109.10155	14.5
111.08071	4.1
115.05441	2.7
117.07029	27.0
119.08580	58.2
121.06490	4.7
121.10141	21.9
123.08075	5.3
123.11723	4.4
127.03855	2.0
128.06190	7.4
129.07010	21.4
130.07802	2.6
131.08562	31.1
133.06410	3.2
133.10139	47.0
135.08031	5.8
135.11678	15.8
137.09613	2.8
141.06949	4.3
142.07764	3.6
143.08542	22.9
145.06439	3.6
145.10123	29.0
147.08008	3.9
147.11691	57.9
149.09630	3.3
149.13219	7.4
155.08548	10.1
157.10141	13.9
159.11694	22.5
161.09665	5.4
161.13243	31.5
163.11180	2.5
167.08536	5.4
169.10133	12.6
171.11703	31.4
173.13313	14.9
175.14803	12.1
179.14319	2.9
181.10129	8.4
183.11653	13.1
184.07388	2.1
185.13266	10.6
187.11201	3.2
187.14787	4.6
189.12747	9.6
193.10191	3.5
195.11716	9.4
197.13271	9.8
199.14738	5.2
201.16306	2.9
207.11963	3.3
207.13722	15.2
209.13191	4.0
211.14758	6.3
213.16376	6.9
219.11787	2.6
223.14789	3.5
231.21019	3.1
241.19530	22.2
257.19073	6.8
259.20569	34.9
275.20135	13.1
279.16028	11.9
281.17468	42.5
315.23163	6.7
333.24213	32.9
429.31531	3.0
437.34177	4.4
447.32547	14.8
465.33759	12.3
483.34827	8.1
503.34747	2.8
521.36487	6.9
529.38867	4.7
539.37372	76.8
540.37604	5.8
546.46851	2.6
557.38464	37.0
701.41931	6.5
719.42316	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	719.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65619	1.3
53.03951	11.0
54.41446	1.5
55.01875	12.2
55.05515	29.4
57.03435	14.9
59.04976	1.8
61.02940	2.1
65.03932	5.2
67.05508	67.9
69.03429	26.4
69.07070	21.2
71.04992	15.1
73.02876	1.7
79.05497	58.7
81.03423	100.0
81.07059	69.7
83.01344	2.7
83.04490	1.5
83.04981	27.7
83.08624	19.5
85.02914	20.4
85.06556	5.8
91.05485	73.6
91.53262	1.4
93.07048	53.7
95.04976	34.1
95.08612	35.5
97.02897	22.2
97.06540	11.0
97.10171	8.3
98.21310	8.7
99.04470	8.0
99.08119	2.3
101.02374	1.5
103.05485	2.9
105.03370	1.6
105.04520	2.1
105.07036	52.3
107.04955	18.6
107.08593	33.7
109.02891	21.3
109.06532	11.6
109.10165	29.6
111.04452	14.4
111.08100	9.7
112.37434	1.8
115.05463	2.8
117.07044	17.3
119.04937	4.1
119.08582	32.3
121.06506	13.8
121.10143	18.5
123.04447	6.1
123.08076	7.0
123.11743	7.5
125.06048	2.1
125.09626	4.5
125.75047	1.5
127.03920	11.9
128.06258	4.5
129.05490	2.7
129.07011	14.0
130.78537	1.6
131.04970	2.1
131.08565	28.2
133.06483	10.1
133.10136	46.1
134.10539	1.9
135.08055	12.6
135.11670	8.8
137.09631	4.8
139.07539	2.1
141.07048	4.6
142.07808	2.8
143.08591	10.7
145.06514	4.6
145.10127	14.9
147.08049	13.5
147.11687	17.7
149.09625	16.9
151.07590	2.3
151.11191	25.0
153.12740	2.9
155.08574	4.6
157.06500	2.4
157.10141	16.1
159.08072	6.6
159.11703	8.9
161.09641	12.3
161.13232	3.7
163.07564	3.4
163.11171	7.5
165.12793	3.3
167.08507	2.7
169.06628	1.6
169.10135	3.5
169.12222	4.6
171.11676	7.3
173.04463	14.8
173.05817	2.0
173.09674	4.1
173.13252	3.3
175.11177	14.7
177.09210	3.1
177.12865	3.1
178.90610	1.5
179.10699	3.6
181.10156	2.2
181.12288	4.2
183.11806	3.5
185.09647	3.3
185.13248	3.6
187.11194	4.3
189.11235	2.6
189.12787	3.7
191.10703	4.6
193.12231	29.8
197.09624	2.6
199.11185	2.7
203.10692	2.7
203.14386	2.6
207.13809	2.0
209.13322	1.8
211.13315	36.0
211.15277	2.7
213.12822	3.3
215.12872	5.2
221.11719	3.6
223.11198	2.3
223.13292	2.7
227.12701	9.1
229.14214	1.8
233.15289	2.2
235.13304	1.8
237.16481	2.3
241.12149	1.5
245.19028	3.4
247.13235	2.0
249.14899	3.5
251.12949	3.6
253.14311	22.9
255.17476	1.9
263.20142	4.3
267.15970	9.7
273.18512	34.8
275.20074	4.5
283.15488	2.9
285.16977	7.8
291.19553	31.5
301.14398	2.9
307.15451	1.9
315.19516	1.9
319.15460	2.4
337.16461	2.7
347.22110	15.0
355.17661	4.9
365.23419	7.4
399.21576	2.5
411.20294	3.1
417.22861	3.6
421.25906	2.3
463.26892	4.5
481.28223	2.1
525.35571	2.0
539.33405	8.3
557.34601	15.6
575.35919	7.2
603.51031	1.8
607.31018	5.2
621.32977	2.1
657.01624	1.9
683.37421	2.9
701.38831	10.7
719.39923	48.6
720.40771	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	719.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.5
53.03943	11.5
55.01880	13.4
55.05257	3.1
55.05512	44.3
57.03441	13.1
57.07076	2.6
59.04989	2.4
65.03938	6.5
66.65309	1.8
67.05508	62.9
68.05825	2.4
69.03432	31.5
69.07069	33.2
71.01372	2.3
71.05004	10.5
74.47653	1.9
76.29490	1.7
78.30526	1.6
79.05493	57.0
81.03421	100.0
81.07062	56.5
83.01356	2.7
83.04982	23.7
83.08630	22.5
85.02913	20.8
85.06535	3.1
91.04961	3.7
91.05485	50.4
93.07049	43.5
95.04974	31.5
95.08607	26.6
97.02892	25.3
97.06535	12.3
97.10165	25.5
98.21262	11.2
99.04450	5.8
99.08076	2.9
103.05517	3.3
105.04530	1.9
105.07030	42.6
105.07667	3.2
107.04951	21.4
107.08600	29.8
109.02888	22.9
109.06564	8.2
109.10155	20.5
110.10529	1.9
111.04472	15.5
111.08083	12.8
113.13858	1.6
115.03934	1.9
115.05436	4.4
117.07037	17.5
119.04973	2.3
119.08578	34.5
121.06509	10.6
121.10155	17.4
123.04436	3.8
123.08081	7.5
123.11698	3.8
125.05954	2.2
125.09619	14.2
127.03935	10.8
128.06245	3.7
129.05530	3.4
129.06996	14.6
131.04921	3.3
131.08588	19.7
133.06491	7.1
133.10150	14.0
135.08067	9.3
135.11673	8.2
137.06010	1.9
137.09648	5.9
141.07027	4.1
142.07866	3.3
143.08507	8.3
145.06483	6.4
145.10156	18.2
147.04520	1.7
147.08054	14.4
147.11676	16.4
149.09636	12.3
149.13268	5.2
153.09122	4.3
153.12764	4.9
155.08551	4.6
157.10135	14.4
159.08061	5.8
159.11682	8.6
161.09634	7.2
161.13249	3.1
163.11163	11.0
165.12750	3.5
167.08577	2.3
169.10104	4.4
171.11731	5.2
173.04439	8.7
173.09677	3.9
173.13321	3.0
175.11197	14.6
181.10107	2.1
181.12230	4.7
183.11699	3.4
185.09650	4.3
185.13229	3.3
187.11066	2.0
189.11279	10.9
189.12784	2.8
191.10704	6.3
193.12253	23.4
193.16162	1.9
197.13260	1.9
199.11165	2.2
201.12729	2.6
205.12234	2.1
211.13283	36.5
211.15239	2.6
223.13301	10.3
227.12746	18.6
229.12422	2.5
229.14426	4.5
230.14748	3.3
231.13850	2.0
245.19102	3.1
247.13239	2.1
249.14961	3.7
267.16046	8.0
273.18484	24.4
275.20001	9.8
283.15469	5.3
285.17084	5.7
288.63068	2.6
291.19531	67.9
301.14407	2.8
313.21652	3.0
337.16455	3.7
347.22150	10.6
349.23615	3.0
355.17609	7.7
365.23334	7.0
371.22534	2.5
383.17267	2.4
411.20001	4.4
423.27432	2.1
424.27817	5.7
429.21213	2.8
435.23788	2.6
528.37933	3.2
539.33459	4.9
557.34790	17.3
575.35413	9.8
581.30127	2.2
683.38672	3.4
701.39069	11.1
719.39954	95.7
720.40417	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	719.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03947	11.7
55.01871	17.8
55.05510	42.7
57.03436	16.2
59.04995	3.6
65.03936	7.9
67.05508	94.6
67.05875	4.6
69.03431	29.6
69.07066	30.5
69.73245	4.5
69.73638	6.7
71.01343	4.3
71.05000	12.1
73.02924	3.5
77.34357	2.1
78.93603	2.1
79.05493	74.3
81.03420	100.0
81.07058	76.6
82.07423	2.7
83.04975	27.0
83.08622	30.7
83.80190	2.1
85.02903	23.1
85.06565	5.5
91.05485	73.7
92.05790	2.2
93.07048	61.6
95.04974	40.2
95.08603	43.4
97.02883	27.8
97.06529	16.3
97.10161	13.5
98.20891	4.8
99.04454	10.1
99.08124	2.3
103.05466	4.1
105.07029	53.2
107.04955	19.8
107.08607	35.2
109.02876	24.1
109.06523	19.0
109.10170	32.9
110.10470	3.2
111.04453	13.4
111.08092	11.2
115.05477	5.0
117.07011	19.1
119.04915	2.2
119.08579	40.2
121.06519	14.6
121.10160	22.6
123.04427	7.0
123.08073	16.2
123.11691	5.3
125.09622	12.0
127.03915	19.8
127.11208	2.1
128.06245	4.9
129.05521	4.9
129.07019	25.9
131.04947	4.6
131.08575	27.4
133.06511	11.2
133.10126	42.4
135.08038	12.5
135.11658	12.5
137.06018	3.1
137.09596	5.7
139.11143	2.6
141.07016	3.3
142.07803	6.5
143.08566	14.6
145.06537	6.2
145.10124	27.7
147.08054	13.2
147.11682	23.5
149.09630	14.5
149.13284	3.1
151.11192	12.9
153.09216	3.5
153.12788	4.5
155.08580	7.4
157.06523	3.3
157.10120	19.9
159.08046	6.2
159.11667	10.8
161.05942	5.2
161.09659	13.1
161.13226	5.0
163.07607	3.8
163.11174	13.2
165.12735	5.1
167.08517	3.9
169.10149	5.4
169.12209	2.3
171.07993	3.4
171.11667	10.2
173.04468	13.9
173.09637	8.3
173.11732	7.1
173.13159	4.1
175.11281	13.1
177.09206	3.3
177.12741	4.6
179.10574	2.2
181.10123	3.6
183.08115	3.5
183.11714	6.1
185.09636	4.8
185.13298	4.5
189.11275	4.6
189.12779	4.0
191.10698	5.2
193.12198	20.2
195.11740	3.1
195.13789	2.5
197.13245	3.8
199.11313	4.0
199.14832	3.3
201.12784	5.0
203.10643	2.9
205.12224	2.6
211.13266	29.4
215.14436	2.8
217.12314	2.5
225.12756	2.3
227.12590	12.3
229.14288	10.9
245.19057	3.3
253.14456	6.4
255.17578	3.6
263.20108	2.8
267.15979	14.0
269.17422	3.6
273.18463	21.4
275.20081	11.9
285.16904	6.9
291.19513	19.1
301.14435	4.2
315.19562	2.8
319.15060	2.6
329.21133	6.5
347.22299	11.2
349.23761	4.6
355.17395	3.4
365.23285	4.4
375.17746	2.2
411.19995	3.6
411.25629	2.2
421.25864	4.3
424.27277	4.4
447.28561	2.6
465.29831	6.2
529.34833	2.6
539.33789	15.2
557.34619	27.3
575.35742	4.6
683.37561	6.8
701.39093	18.3
702.37970	2.8
719.28119	3.7
719.40039	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	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01859	3.1
55.05511	10.7
57.03436	9.7
57.07077	32.5
58.86196	1.0
61.09653	1.0
65.80147	1.0
67.05508	21.7
69.07069	11.6
69.40880	6.8
69.41279	2.5
71.04990	2.5
71.08274	1.9
71.08638	22.8
73.29602	0.9
79.05494	20.5
81.03432	1.7
81.07059	24.7
83.04977	3.7
83.08629	13.2
85.10188	15.3
89.06041	2.4
91.05476	5.2
92.56313	1.1
93.07048	29.7
95.04985	5.0
95.08609	45.2
97.02876	4.1
97.06536	3.6
97.10168	3.7
97.14241	1.0
98.21232	4.0
99.04465	2.2
103.07578	1.7
105.07036	7.0
107.04954	7.9
107.07951	1.9
107.08603	20.7
109.06536	1.5
109.10159	9.2
111.08066	1.3
117.07022	7.6
119.08607	7.6
121.06523	3.6
121.10148	10.5
123.11715	3.3
125.05974	2.5
130.07793	2.4
133.10156	2.3
135.08087	1.5
135.10674	2.3
135.11700	43.1
139.07573	1.8
143.08575	1.6
145.09041	1.6
145.10129	26.7
146.18317	1.0
163.11188	58.3
181.12222	11.1
209.11803	1.8
227.12790	63.7
239.23718	1.8
257.24713	2.1
283.15408	81.4
284.15799	3.1
312.24203	1.2
313.27362	100.0
314.27713	3.5
473.46390	1.1
521.38391	95.9
522.38483	3.7
700.14856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.8
53.03935	2.3
55.01871	1.9
55.05259	1.5
55.05511	21.4
57.03436	14.2
57.07072	5.2
61.02932	5.2
65.03925	1.7
67.05505	29.4
69.03428	3.9
69.07070	27.0
71.04985	4.0
71.08636	2.0
79.05492	23.5
81.03420	44.3
81.07057	35.3
83.04987	11.7
83.08624	30.4
85.02419	1.4
85.02905	19.3
85.06539	2.4
86.09706	3.1
91.03963	1.6
91.05486	21.4
93.07045	19.2
95.04973	16.2
95.08612	17.6
97.02884	3.6
97.06528	4.2
97.10174	7.9
102.79791	0.9
105.07037	17.6
106.00861	0.9
107.04970	4.3
107.08589	10.3
109.06520	3.3
109.10163	7.5
111.04439	0.9
111.08077	8.0
111.11747	0.9
113.06006	3.2
115.05447	2.1
117.07007	1.4
119.08587	13.5
121.10151	15.0
123.08047	1.9
123.11712	3.9
125.00062	2.6
125.09637	1.8
129.06982	6.6
131.08595	7.6
133.06506	2.0
133.10141	8.5
135.11665	6.8
137.02893	0.9
137.09644	1.7
137.13239	2.3
142.07774	1.7
147.08052	2.3
147.11685	11.4
149.09602	4.3
149.13257	2.8
157.10138	8.2
163.11119	0.9
163.14859	1.2
165.12828	1.5
166.10152	0.9
175.11200	9.2
184.07352	11.0
193.12236	34.7
211.13297	56.0
219.21075	2.2
237.22159	1.9
267.15894	16.0
285.16968	63.6
286.69189	0.9
301.63300	0.9
311.25793	69.4
312.26135	2.4
358.89127	0.9
486.54523	0.9
503.37268	14.9
521.38379	100.0
522.38617	3.7
576.80035	1.0
704.95905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05029	0.8
57.07067	0.3
58.06619	0.5
59.07396	0.2
60.08163	6.0
67.05488	0.3
69.41203	1.2
70.06596	0.2
71.07375	3.2
71.08624	0.3
79.05472	0.3
81.07056	0.4
86.09705	32.2
87.10023	0.3
91.05470	0.2
93.07048	0.3
93.34929	0.1
93.78292	0.1
95.04998	0.2
95.08600	0.3
98.20950	0.6
98.98468	3.3
104.10742	2.2
107.08591	0.2
125.00005	21.4
143.01100	0.2
184.07338	100.0
185.07703	0.6
283.15448	0.3
313.27338	0.5
521.38269	0.3
718.46515	5.2
719.45532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.0
53.03930	1.4
53.29643	0.8
55.01883	3.9
55.05282	1.0
55.05512	9.0
57.03440	10.2
57.06824	1.4
57.07081	20.0
59.04994	1.6
61.02917	3.4
67.05504	9.4
69.07062	6.4
69.70073	5.6
71.04974	2.1
71.08636	15.0
79.05495	10.6
81.03413	6.4
81.07062	16.1
83.01337	4.8
83.04993	6.4
83.08620	10.1
85.02905	5.6
85.10184	8.3
86.83370	0.8
91.03955	1.8
91.05489	6.1
93.07054	13.5
95.04954	3.7
95.08614	15.0
97.02904	4.0
97.06525	2.3
97.10156	2.9
98.20749	1.8
98.21368	1.3
99.04423	1.7
100.02192	0.8
103.07571	0.8
105.07032	6.0
107.04939	3.6
107.08606	7.3
109.06505	3.1
109.10175	5.9
111.04436	1.3
111.08102	1.0
111.11726	1.2
117.07013	3.7
119.08585	4.1
121.06480	2.6
121.10141	4.5
123.08093	6.0
123.11718	2.5
125.05965	1.0
131.08594	1.4
133.10068	0.9
135.08072	1.2
135.11707	7.1
137.09619	1.0
145.10121	9.2
147.08005	0.9
149.09689	1.0
153.12810	1.2
155.08641	1.5
163.11183	13.6
173.09560	2.0
181.12241	1.9
184.07304	1.1
191.10661	1.7
209.11714	4.4
210.57686	1.0
227.12740	3.6
239.23613	1.8
257.24796	1.5
261.62158	0.9
283.15408	100.0
284.15753	2.7
313.27368	75.2
314.27676	2.4
521.38422	49.2
522.38629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.7
55.01851	1.7
55.05514	7.6
57.03438	9.2
57.07080	24.8
57.07335	1.0
58.67262	0.6
61.02907	0.8
65.03925	0.7
67.05502	14.1
69.07069	9.3
71.04974	1.4
71.08634	19.6
71.08997	0.7
73.02917	1.4
79.05498	16.6
81.03390	2.1
81.07063	19.8
83.04946	2.3
83.08625	14.9
85.02885	1.6
85.10189	11.2
89.05984	1.9
91.05479	5.1
93.07048	21.2
95.04982	3.8
95.08608	36.9
95.32803	0.7
97.02910	3.3
97.06497	2.2
97.10132	3.0
98.20718	1.7
98.21404	2.4
99.04472	3.2
101.05917	0.6
103.05442	0.8
103.07584	1.2
105.07026	4.0
107.04416	0.5
107.04960	5.4
107.08599	17.7
109.06512	1.2
109.10162	8.7
111.04420	1.0
117.07024	5.2
119.07921	0.6
119.08591	7.2
121.06506	3.2
121.10158	9.5
123.11665	2.0
125.05950	2.1
130.07726	1.8
131.08496	0.9
133.10117	1.2
135.11697	39.4
137.13260	0.9
139.07483	1.0
143.08517	1.0
145.06371	0.7
145.09045	1.2
145.10127	21.5
145.11276	1.3
153.12680	0.9
163.11188	52.5
181.12242	8.7
184.07387	0.9
209.11710	1.4
217.13026	0.7
227.12787	57.3
228.13293	1.3
239.23753	1.4
257.24594	1.7
283.15402	90.4
284.15604	1.3
313.27362	100.0
314.27643	2.2
521.38397	95.1
522.38239	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	717.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.5
53.03731	2.2
53.03948	21.7
55.01875	13.8
55.05516	32.6
56.30642	1.8
57.03440	14.2
57.07074	2.8
60.17270	1.8
61.02934	2.6
65.03932	7.1
65.04342	1.7
67.05508	94.7
69.03429	27.5
69.06778	2.4
69.07076	25.7
71.04996	14.9
71.08625	2.0
73.02907	1.9
73.06554	2.1
77.03922	2.1
79.05495	100.0
81.03419	85.9
81.07061	92.5
81.63274	1.9
83.04991	25.9
83.08633	15.3
85.02908	16.3
85.06532	6.1
86.09708	4.3
91.05483	98.0
93.06463	4.1
93.07047	81.0
95.04974	35.8
95.08613	56.8
97.02904	18.5
97.06531	13.4
97.10162	5.4
98.21124	13.4
99.04444	10.2
103.05480	5.1
103.87727	2.2
105.04528	3.3
105.07034	82.6
106.07368	2.0
107.04971	18.0
107.08596	44.2
109.02879	16.9
109.06512	15.6
109.10173	20.3
111.04397	5.0
111.08056	5.4
111.37955	2.0
115.05484	6.6
117.07017	29.8
119.07787	4.1
119.08582	54.3
121.06490	11.8
121.10138	19.0
123.04456	4.8
123.08080	11.7
123.11691	5.2
125.09607	6.6
127.03947	16.5
128.06201	6.3
128.64157	2.5
129.05502	4.6
129.07014	27.4
130.07764	2.5
131.04930	2.9
131.08571	32.3
132.05591	2.0
133.06470	5.9
133.10133	35.3
135.08037	8.2
135.11688	8.2
137.05940	2.5
137.09602	3.2
141.06978	6.9
142.07788	4.3
143.08551	18.3
145.06470	8.0
145.10127	30.7
147.08049	9.0
147.11690	39.8
149.09613	9.7
149.13234	6.1
151.11205	5.8
153.06938	1.9
155.08553	5.8
157.06483	5.3
157.10132	10.1
159.08047	5.7
159.11694	15.6
161.09612	7.7
161.13297	14.5
163.07536	2.3
163.11198	9.9
165.07056	3.2
167.08508	3.5
169.10182	9.4
171.08015	2.7
171.11700	29.2
173.04492	30.2
173.05943	2.2
173.09583	5.4
173.13248	8.9
175.11227	5.0
177.12755	2.1
181.10129	5.1
183.11771	4.6
184.07402	13.1
185.09697	3.5
185.13246	4.8
187.11166	5.6
187.14804	3.2
189.12755	8.2
195.11646	2.7
197.13353	4.4
199.06050	4.2
201.12775	3.2
207.11804	3.0
207.13799	22.9
225.14861	2.9
227.12709	3.5
233.15266	3.2
239.17883	5.3
247.20567	7.3
257.18967	13.6
275.20059	58.1
279.16077	4.2
281.17496	43.4
282.17728	2.9
287.16333	5.4
291.19586	2.9
293.21118	8.0
299.20020	2.5
309.17001	2.6
313.21478	2.8
341.21103	3.8
349.23648	18.8
355.22372	2.6
365.20981	4.7
383.22183	3.7
407.20471	2.6
419.24118	3.0
445.30878	2.6
475.30676	8.7
520.33374	2.9
527.37415	2.6
537.35339	8.4
555.36859	41.3
556.36798	3.1
573.37665	4.0
594.32471	2.4
597.38385	2.9
619.34430	9.6
645.37976	2.5
681.40039	2.3
699.41046	7.8
717.42175	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47530	1.2
53.03936	2.9
55.01870	3.3
55.05513	15.4
57.03224	1.0
57.03442	11.7
59.04987	3.5
61.02910	2.8
65.03938	3.3
67.05509	100.0
68.05822	1.8
69.03413	4.7
69.07072	16.9
71.05001	6.4
71.58173	1.3
73.02901	1.2
79.05501	27.2
81.03426	12.6
81.07066	45.0
83.04998	6.8
83.08633	12.6
85.02920	6.0
85.06538	4.3
87.04443	1.1
91.04962	2.0
91.05489	24.5
93.07052	30.9
95.03642	1.3
95.04986	6.6
95.08615	16.4
97.02893	4.3
97.06551	8.0
97.10189	3.1
98.21338	1.2
99.04449	1.8
99.08071	2.1
105.07042	17.4
107.04951	5.1
107.08605	17.5
107.09722	1.4
109.06492	3.7
109.10165	72.1
111.08070	6.1
117.07021	8.3
119.08593	15.9
121.06489	3.6
121.10146	9.5
123.08069	3.2
123.11719	2.0
125.09653	1.2
127.03900	3.6
129.06958	2.8
131.08595	6.6
133.10121	11.5
135.08022	3.4
135.11710	9.0
137.09625	5.9
141.07056	1.4
143.08536	2.1
145.10147	7.6
147.11694	5.1
149.09610	5.1
149.13297	5.9
151.11128	1.7
155.10692	2.7
157.10170	1.6
159.11713	6.7
161.09567	1.6
161.13319	1.8
163.11221	6.0
171.11705	1.6
173.04482	3.8
173.11777	20.0
173.13188	2.1
177.12801	2.8
177.47890	1.2
179.14293	1.2
183.11717	1.8
195.13794	3.4
197.13200	1.2
227.12785	5.1
229.14377	68.0
239.17957	1.3
255.15912	5.3
257.19092	6.1
269.17456	12.5
275.20081	17.0
285.89612	1.4
291.19601	1.2
293.21146	2.7
331.22885	1.7
349.23691	13.9
367.24707	1.4
399.23761	1.3
407.28058	1.8
409.25900	23.0
413.21725	1.4
423.27448	74.1
424.27701	1.5
463.30475	1.2
503.33694	22.1
521.34540	6.8
567.31213	2.8
577.37482	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	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13993	1.2
53.03935	3.7
54.50939	1.3
55.01854	5.1
55.05513	18.7
57.03441	10.9
59.04995	4.2
61.02923	3.4
65.03934	5.2
67.05506	100.0
67.28896	1.4
68.05845	1.5
69.03420	8.3
69.07071	16.4
71.04982	4.8
71.58066	2.7
79.05496	27.1
81.03419	13.3
81.07058	50.7
83.04984	7.8
83.08628	11.1
85.02887	4.7
85.06537	4.4
90.47476	1.6
91.05479	28.8
93.07047	32.4
95.04962	11.8
95.08611	18.4
97.02899	4.2
97.06528	11.9
97.10188	3.2
98.21117	1.6
99.04427	2.0
99.08119	2.1
105.07019	20.1
107.04942	5.8
107.08593	19.8
109.02874	3.0
109.06511	4.9
109.10159	69.2
111.04472	1.6
111.08087	6.4
117.07014	11.3
119.08586	18.5
121.06497	3.9
121.10143	9.1
123.08087	2.8
125.09636	4.4
127.03911	3.9
129.06952	2.9
131.08580	12.5
131.09447	2.2
133.10124	13.2
135.08029	2.4
135.11690	7.8
135.36197	1.6
137.09584	5.5
140.77817	1.4
143.08525	1.9
145.10120	10.3
147.08060	1.6
147.11670	5.9
149.09607	7.9
149.13243	5.9
151.11206	1.6
155.10689	2.5
157.10139	3.1
159.11678	7.0
161.13251	3.7
163.11212	6.8
165.12714	2.1
169.10124	2.3
171.11716	1.8
171.63445	1.4
173.04465	3.7
173.11783	20.3
173.13295	3.4
175.11143	2.1
177.12738	2.7
179.14326	2.6
189.11131	1.8
195.13857	3.8
211.13161	1.8
212.01755	1.3
219.13818	1.4
227.12790	4.5
229.14363	55.9
251.16507	1.6
255.15971	4.9
257.19037	3.3
267.15891	1.7
269.17484	10.9
275.20065	15.0
291.19748	1.5
331.22644	2.0
349.23730	12.1
351.04068	1.4
367.24777	2.5
375.66574	1.6
409.25763	16.0
421.25809	1.6
423.27426	59.5
424.27759	3.2
503.33746	17.2
521.34491	3.8
557.34454	2.0
567.31433	3.1
577.36859	4.1
718.38324	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	717.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.5
57.03444	2.2
61.02938	3.9
67.05506	6.2
69.03426	3.1
69.07072	2.7
71.04996	0.8
73.02932	3.2
79.05492	5.2
81.03423	2.1
81.07067	5.9
83.04977	0.8
83.08629	2.6
85.02906	4.5
86.09716	3.4
91.03988	2.1
91.05500	2.2
93.07049	5.9
95.05013	0.7
95.08638	3.5
97.02898	4.4
97.06553	0.9
97.10175	0.7
101.02408	1.5
105.07044	1.1
107.08633	2.4
109.02914	1.0
109.10161	1.8
116.62577	0.6
117.07022	1.1
119.08611	0.8
121.10175	2.9
125.00037	2.4
127.03977	1.0
133.10188	1.0
135.11708	2.9
145.10161	1.3
149.13373	0.7
163.11157	1.6
184.07352	9.3
185.07736	1.0
186.07970	0.8
221.11661	0.9
235.26378	0.6
243.08388	1.5
283.15381	6.3
284.15762	3.3
311.25800	3.3
312.26205	3.6
399.16727	0.6
439.19409	6.2
492.47086	0.7
519.29626	5.6
519.36835	1.2
520.37256	2.8
545.37317	1.0
717.41840	100.0
718.42072	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	717.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03529	2.0
53.03947	15.2
55.01873	24.9
55.05516	27.8
57.03436	11.0
57.07079	3.3
61.02932	2.2
62.58891	2.5
65.03941	6.4
67.05505	65.9
69.03439	13.8
69.07068	36.0
71.04985	5.8
79.05058	3.0
79.05498	66.9
81.03423	37.6
81.07057	80.1
83.04988	19.0
83.08616	14.5
84.79362	2.3
85.02906	9.3
91.05481	92.1
93.07047	58.9
95.01320	11.9
95.04967	26.1
95.08047	3.5
95.08609	44.8
97.02885	8.0
97.06537	47.0
97.10159	4.3
99.04438	6.1
103.05473	4.7
105.07036	98.5
107.04955	31.6
107.08587	26.8
109.02854	2.9
109.06506	7.6
109.10159	12.9
111.04443	3.7
111.08069	3.9
115.05433	7.1
117.07018	25.6
119.04964	3.1
119.07787	4.2
119.08585	57.0
121.06493	7.8
121.10146	14.2
123.04401	4.0
123.08044	10.3
123.11704	2.7
125.09551	2.3
127.03931	3.9
128.06194	7.0
129.07007	20.7
131.04933	3.2
131.08563	39.6
133.06485	6.1
133.09122	2.5
133.10127	52.0
134.60387	2.5
135.08054	6.9
135.11696	6.7
137.09627	3.5
139.07590	3.2
141.06999	6.6
143.08580	13.3
145.06465	8.9
145.10141	27.1
147.08063	3.1
147.11702	27.3
149.09627	9.6
149.13243	6.1
155.08551	5.5
157.10117	7.8
159.08029	6.1
159.11650	17.0
161.09615	4.6
161.13272	11.7
163.11191	8.3
165.09064	2.9
167.08633	3.1
169.10114	7.0
171.08046	4.6
171.11722	9.4
173.04442	6.5
173.09584	2.9
173.13264	8.8
177.12697	7.5
179.14304	16.8
181.10097	3.3
183.11682	3.4
184.07414	5.9
185.09694	5.1
185.13261	3.9
187.11154	5.5
189.12730	6.2
195.11642	2.6
197.13213	3.4
207.13818	7.3
209.13242	3.0
223.14891	5.0
241.15944	3.5
247.20575	4.3
251.14215	3.2
257.18994	7.9
259.20605	2.2
263.16455	2.8
269.15381	8.7
275.20065	100.0
276.20667	3.6
279.16010	10.7
281.17352	10.2
282.48157	2.3
287.16409	9.5
293.21063	4.9
297.17126	2.7
315.15988	2.4
349.23743	34.7
361.20032	4.2
407.20648	4.4
425.21585	18.4
497.16800	2.4
537.36084	6.4
555.36816	51.4
556.37415	3.4
569.38660	3.7
596.46906	2.9
619.60999	2.5
635.39050	5.3
681.39539	5.2
699.41071	16.5
704.68982	2.5
717.41968	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	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47494	0.4
53.03939	1.7
55.05296	0.5
55.05513	6.0
56.05053	3.3
57.07084	3.5
58.06573	0.5
60.04531	2.3
65.03931	1.0
67.05165	0.9
67.05506	12.8
68.05013	0.9
69.03412	1.1
69.06720	0.7
69.07067	7.3
70.06600	2.5
71.08617	2.0
71.19214	0.7
79.05495	10.1
80.05030	3.5
81.05805	1.7
81.06637	0.8
81.07061	10.1
82.06581	6.3
83.08628	4.1
85.02900	2.3
85.10182	0.8
86.06068	0.7
88.82227	0.5
91.04955	0.9
91.05482	8.7
93.06468	0.7
93.07044	9.4
94.06570	16.3
95.04967	1.5
95.07349	8.8
95.08610	7.9
96.08141	5.0
97.02867	0.8
97.10175	2.5
98.21236	0.5
105.07037	5.0
107.08611	5.3
108.08130	3.1
109.10127	3.3
113.00024	0.6
117.06951	0.6
119.08587	5.8
121.10145	5.9
122.09674	2.4
123.11691	1.1
133.10115	3.3
135.10683	0.5
135.11691	3.2
136.11217	1.4
147.11623	1.2
149.13286	0.7
151.14844	0.6
161.13316	0.6
163.14734	0.5
183.74721	0.5
188.06438	0.5
191.18019	0.7
219.21056	0.8
232.08170	0.5
233.22630	3.1
234.22379	0.7
239.62370	0.6
245.22641	3.6
250.25334	8.1
254.24808	1.0
262.25308	100.0
263.25656	1.5
272.25873	5.1
280.26349	6.6
280.73767	0.6
331.55923	0.5
442.31622	0.9
493.53159	0.5
504.47888	3.9
516.47778	26.9
517.48029	0.8
518.49084	4.4
534.41028	0.8
534.48828	16.0
535.49005	0.6
571.46936	1.0
578.55530	0.5
623.18329	0.5
629.99182	0.5
696.54407	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	716.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75386	1.2
53.03932	2.1
55.05515	7.7
57.03432	3.5
57.06083	1.5
57.07084	14.5
64.49385	1.5
65.03947	1.5
67.05509	21.1
69.07064	6.0
69.43401	11.5
71.08636	10.5
72.20918	1.2
72.22707	1.3
73.06571	1.4
74.96339	1.3
79.05495	25.7
81.03421	2.8
81.07057	20.3
83.04974	4.5
83.08609	5.7
85.06545	1.6
85.10182	4.1
89.06042	3.9
91.05476	20.3
93.07051	25.7
95.04997	7.5
95.08605	15.1
97.06528	1.5
97.10175	1.4
98.20800	3.4
98.21450	2.4
105.07030	14.5
107.04974	3.2
107.08604	5.6
109.06512	1.3
109.10156	6.0
116.55592	1.7
117.07027	2.7
119.08592	10.2
121.06483	1.4
128.06268	1.7
128.46341	1.7
129.07011	5.3
133.10179	3.4
143.08594	3.2
145.10182	2.4
147.11705	13.2
160.17007	1.4
161.09586	1.6
161.13229	2.2
171.11732	8.4
184.07330	2.6
189.12785	4.0
207.13824	19.8
252.58041	1.6
281.17462	52.5
313.27347	44.5
314.27698	2.9
357.84155	1.4
465.33267	1.6
519.40448	100.0
520.40570	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	714.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56203	0.2
55.05520	0.5
56.05033	0.9
57.03441	0.3
57.07076	0.3
58.06623	0.5
60.08168	6.4
67.05499	1.2
69.07064	0.3
69.60818	0.6
69.61234	0.6
71.07381	3.6
71.08617	0.2
79.05495	0.9
81.07068	1.2
83.08610	0.3
86.09709	31.0
89.46795	0.2
91.05479	0.9
93.07041	0.6
95.08623	0.9
97.06519	0.3
98.20771	0.5
98.98467	3.2
99.08091	0.3
104.10752	2.3
105.07016	0.5
107.08623	0.8
109.10154	0.4
119.08542	0.3
121.10218	0.2
125.00014	21.6
131.08499	0.2
133.10172	0.2
135.11707	0.3
143.01103	0.2
155.36537	0.2
178.45561	0.2
184.07349	100.0
185.07669	0.8
195.00311	0.2
517.37860	0.3
543.35999	0.6
714.47192	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	714.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27929	0.5
53.03936	1.3
55.05511	6.8
56.05041	4.4
56.77043	0.4
57.07076	3.6
58.06594	1.1
60.04517	2.5
65.03951	0.7
67.05165	0.8
67.05505	11.3
67.20110	0.6
68.05012	0.8
69.03419	1.2
69.06721	0.6
69.07073	8.9
70.06584	2.0
71.08625	2.2
71.19005	0.6
71.19339	0.7
79.05050	0.9
79.05495	11.4
80.05011	3.0
81.03408	0.7
81.05804	1.1
81.07059	11.4
82.06581	6.8
82.08201	0.5
83.04988	0.7
83.08620	5.6
85.02900	1.9
85.10175	1.2
91.05473	9.3
93.07048	10.8
94.06568	19.0
95.04951	1.6
95.07356	7.8
95.08612	9.3
96.08137	5.9
97.02899	0.7
97.10170	2.8
98.21146	0.8
105.07025	5.5
106.06649	0.5
107.08591	5.1
108.08119	2.9
109.10137	3.6
111.11730	0.6
119.08570	5.3
121.10149	6.8
122.09674	2.5
123.11687	1.0
124.11286	0.5
133.10141	4.7
135.10268	0.5
135.10736	0.5
135.11685	4.2
137.13210	0.6
147.11665	1.7
149.13191	1.3
151.14774	0.6
156.34856	0.4
161.13271	1.1
191.18044	0.6
193.19577	0.5
205.19456	0.5
219.21060	1.0
233.22661	2.7
245.22668	5.0
250.25319	7.3
254.24655	1.0
262.05716	0.6
262.25305	100.0
263.25809	2.4
272.25821	4.2
280.26352	7.5
312.25330	0.9
314.26804	0.5
325.54684	0.6
442.31842	0.6
504.47842	4.7
516.47784	28.5
517.48035	1.2
518.49377	4.9
534.40906	1.0
534.48798	16.2
535.49152	1.1
571.47144	2.3
630.21747	0.5
696.54211	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	713.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05510	1.1
57.03437	2.4
57.07076	1.0
61.02933	5.1
67.05504	2.9
69.03440	2.6
69.07062	1.0
69.22451	3.1
69.22874	3.8
71.04985	0.8
73.02921	3.6
79.05482	3.4
81.03434	4.2
81.07053	3.8
83.01119	1.0
83.04978	1.6
85.02909	6.1
86.09708	3.0
86.91514	0.6
87.04491	1.0
91.03957	3.4
91.05488	2.6
93.07051	2.0
95.01119	0.8
95.04964	1.4
95.08598	1.0
97.02905	3.7
97.06559	1.0
98.20771	1.4
98.21426	1.9
99.04458	0.7
101.02374	1.7
105.07042	1.9
107.08614	2.0
109.02886	1.6
109.06538	1.1
109.10165	1.3
115.03918	0.8
117.05518	1.2
119.08595	1.9
121.10184	1.2
123.04331	0.8
124.99979	2.3
125.09669	1.2
127.03940	2.6
129.05519	3.0
129.07039	0.9
131.08568	1.3
133.10138	2.4
137.05923	3.6
137.09622	0.8
147.11728	1.1
149.09682	0.8
157.10173	1.0
162.10175	0.8
175.07680	0.9
181.04796	2.1
184.07370	8.4
185.04233	6.9
185.07706	0.8
193.12296	1.6
199.13307	1.2
201.03775	2.6
211.13348	1.4
241.06979	0.9
243.08441	4.6
251.12637	3.1
267.15683	0.7
273.20477	0.6
277.14203	2.6
291.15829	1.2
301.08957	17.7
301.12103	1.1
315.10611	3.6
327.10895	1.1
341.12186	1.2
343.30710	0.7
349.16360	3.1
355.13477	0.9
367.17471	1.7
371.16928	2.1
373.11096	6.5
383.16806	4.3
385.18353	8.3
387.12616	1.2
395.16812	2.6
413.18112	1.2
415.15625	0.9
429.17416	2.1
433.25861	3.3
439.19379	2.4
441.21112	1.1
443.18881	6.0
451.26822	0.9
457.20609	2.2
469.20517	17.7
483.22205	0.9
484.19550	0.7
485.19849	4.2
499.21295	4.9
511.21677	1.6
527.28137	1.3
528.21582	6.4
541.22473	8.8
555.24573	2.0
569.26379	3.1
583.27686	2.0
597.26581	1.1
611.30536	7.8
612.31000	5.0
651.33411	2.4
653.31854	1.9
663.37067	0.9
667.33008	1.0
695.32629	3.7
696.33777	0.9
713.33563	100.0
714.34015	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	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01879	3.3
55.05509	13.3
57.03436	14.2
61.02920	1.5
67.05505	17.8
69.03446	3.7
69.07072	5.2
70.86358	2.0
70.86697	1.4
71.05007	3.1
78.38811	1.2
79.05496	21.7
80.76268	0.9
81.03418	86.3
81.07055	21.5
81.07505	1.2
83.04984	8.6
83.08620	22.9
83.09107	1.3
85.02911	12.6
85.06563	1.3
91.05482	23.5
93.07049	13.8
95.04974	27.2
95.05555	1.9
95.08591	7.0
97.02917	3.0
97.06545	2.9
97.10162	5.2
99.08140	1.2
105.07037	19.6
107.04955	7.6
107.08606	7.5
109.02877	1.1
109.06521	5.2
109.10195	3.1
111.04449	2.3
111.08079	9.9
113.06084	1.0
113.23328	0.9
115.05458	1.2
117.07023	2.7
119.04967	2.2
119.08588	17.3
121.06538	3.4
121.10164	6.3
123.08099	2.4
123.11697	1.3
125.09671	3.2
129.07004	13.9
131.08565	12.9
133.06546	2.8
133.10143	7.9
135.08095	2.3
137.09633	2.5
142.07817	3.0
145.06520	4.7
145.10107	2.6
147.08093	4.5
147.11676	12.0
149.09601	5.9
157.06514	1.1
157.10124	13.6
159.08109	1.1
159.11665	1.2
161.09647	0.9
163.11244	1.7
165.12781	2.6
175.11195	11.7
184.07327	2.7
185.09639	1.3
189.11209	1.7
189.12828	1.1
193.12245	36.6
195.11797	1.3
211.13307	18.6
211.15236	1.4
214.10770	1.0
229.00182	1.1
249.14928	1.9
255.13889	1.6
267.15921	100.0
268.16351	3.7
273.14880	3.9
285.16962	19.9
285.20105	1.1
326.24271	1.0
349.21744	3.2
367.22586	9.8
385.23743	10.8
403.25024	3.0
405.23972	1.9
433.25903	13.1
441.20987	1.2
441.26382	7.3
459.27444	69.8
460.27728	3.2
477.28491	42.6
478.28583	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01865	2.3
55.05259	1.3
55.05511	17.2
55.25568	0.7
55.75002	0.8
57.03440	15.1
57.07076	4.0
59.04998	2.4
60.25127	0.9
61.02928	2.0
63.64717	0.9
65.03927	2.5
67.05505	63.2
69.03427	1.8
69.06719	1.2
69.07070	17.2
71.01355	2.3
71.04990	4.8
71.08629	2.2
71.57420	1.0
78.07847	0.7
79.05493	48.2
81.03423	4.0
81.07056	44.7
83.04982	9.4
83.08620	6.0
84.06940	0.8
85.02896	3.0
85.06564	2.6
85.10174	1.2
85.23268	0.8
91.03964	1.1
91.05479	24.1
93.07046	60.9
95.04976	5.5
95.08605	30.4
96.62250	0.7
97.02901	1.4
97.06534	9.2
97.10173	8.7
98.21315	0.8
98.98471	0.8
99.08093	2.4
105.04517	1.3
105.07021	12.1
107.04968	1.3
107.08593	33.5
109.06522	1.9
109.10155	18.2
111.08097	3.2
111.11662	0.8
117.07043	5.9
119.07787	1.1
119.08589	10.3
121.06539	1.1
121.09319	1.2
121.10147	16.7
123.08058	1.9
123.11716	3.6
125.09616	1.9
130.07797	1.0
131.08589	6.5
133.10135	8.2
135.10664	1.8
135.11694	35.7
137.13252	1.2
143.08652	1.2
145.10133	10.7
147.11682	4.5
149.13245	3.1
151.11078	1.2
153.12778	3.4
159.11700	4.1
161.13251	3.6
161.88960	0.8
162.58173	0.9
163.11208	5.0
163.14815	2.2
173.11827	1.4
173.13266	3.9
175.14886	1.2
181.12239	10.2
184.07352	1.0
185.13269	1.2
187.14786	1.9
190.45200	1.0
197.47702	0.9
199.13264	1.7
218.06236	0.8
243.21010	2.7
253.14291	1.8
255.15916	57.0
256.16309	1.7
259.20374	1.0
261.22171	11.7
313.27359	1.1
317.24734	2.9
335.25790	52.0
336.26025	1.6
423.32593	1.8
467.37369	7.4
515.37317	100.0
516.37756	3.9
533.38391	1.6
571.42157	4.7
627.60162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01876	3.7
55.05507	9.9
57.03168	1.1
57.03434	8.0
60.08147	1.3
61.02923	1.6
65.03939	0.8
67.05505	33.4
68.05806	0.9
69.03408	3.1
69.07066	8.7
69.56040	5.5
70.06607	0.7
71.04992	5.5
79.05495	16.0
81.03422	32.0
81.07056	28.3
81.29155	0.7
82.07384	0.8
83.01321	0.9
83.04988	7.7
83.08614	10.5
85.02888	3.5
85.06559	4.3
86.09703	6.8
91.05481	27.3
92.05809	1.2
93.06467	1.0
93.07049	16.8
95.04975	13.6
95.08609	7.2
96.05292	0.9
97.02885	2.5
97.06533	2.7
97.10154	2.2
98.20837	1.7
98.21439	1.8
98.98489	1.1
99.04443	2.3
101.06018	0.7
104.10750	0.9
105.07030	22.6
106.07348	1.0
107.04944	3.1
107.08593	20.8
109.06532	5.7
109.10161	33.3
109.10918	1.7
111.04444	1.8
111.08096	3.7
113.05995	2.0
115.05429	0.9
117.07018	1.7
119.08592	9.4
121.06529	1.7
121.10126	3.8
123.04452	0.9
123.08067	2.1
123.11063	0.7
123.11720	7.3
124.99980	5.0
125.09619	2.4
127.03864	1.1
127.07574	2.0
127.19122	0.7
129.05496	1.8
129.07047	4.1
131.08565	5.5
133.06471	1.4
133.10135	40.8
134.10484	0.9
135.08049	2.2
135.11696	2.7
137.09593	2.1
145.10112	1.8
147.08052	2.3
147.11667	5.0
149.09593	2.4
149.13272	1.0
151.11189	22.8
157.08917	0.9
157.10092	4.2
159.11665	1.7
161.09592	2.5
163.11172	2.5
165.12822	1.8
167.07077	1.1
169.12207	3.0
173.09718	0.9
173.11713	1.6
175.11217	4.1
178.04872	0.8
179.10591	1.3
181.12274	0.9
184.07346	25.2
191.10629	0.9
193.12231	14.2
194.12643	1.6
199.13246	1.3
209.11763	2.0
211.13257	5.9
212.13612	0.9
215.12746	1.0
227.12845	2.1
229.14302	4.0
249.14861	0.9
253.14357	100.0
254.14676	1.4
267.15924	36.2
268.16251	1.8
269.17523	6.1
271.15399	21.6
283.15402	2.8
285.17020	4.3
301.16513	3.0
335.87695	0.7
343.22183	0.9
389.23019	1.4
423.27264	3.0
437.25134	1.0
441.28299	1.0
445.25809	19.2
459.27280	1.3
463.26910	47.2
464.27191	2.7
477.28415	3.2
495.29459	8.3
505.27948	1.2
513.30328	1.2
562.21582	0.8
653.83020	0.8
710.35187	1.4
724.51740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05033	0.8
57.03439	0.1
57.07072	0.2
58.06621	0.5
59.07397	0.1
60.08165	6.4
67.05506	0.6
69.07069	0.2
71.04985	0.1
71.07375	3.8
71.08629	0.2
79.05491	0.4
81.03428	0.2
81.07051	0.4
83.08617	0.2
86.09708	29.7
87.10019	0.2
91.05479	0.4
93.07030	0.3
95.08643	0.2
97.10161	0.1
98.21282	0.9
98.98470	3.2
104.10741	2.7
105.07086	0.1
107.08630	0.2
109.10176	0.4
119.08598	0.2
121.10183	0.1
125.00008	22.0
133.65598	0.1
135.11717	0.1
138.66150	0.1
143.01089	0.2
145.10144	0.2
152.10471	0.1
163.11177	0.1
166.02692	0.1
181.12347	0.1
184.07344	100.0
185.07709	0.8
190.67047	0.1
190.91632	0.1
229.50168	0.1
313.27341	0.2
359.29956	0.2
399.99301	0.1
467.37210	0.2
496.33630	0.2
511.40350	0.2
519.36536	0.2
676.45135	0.8
708.35577	0.3
708.48083	5.3
709.48358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90719	0.1
52.72781	0.2
55.05524	0.5
56.05025	0.8
57.03434	0.5
58.06617	0.4
59.07417	0.2
60.08166	6.1
62.74377	0.2
67.05501	0.9
68.87320	0.2
69.07059	0.2
69.42390	0.5
69.42799	0.8
71.07375	3.4
79.05499	0.7
81.03422	2.8
81.07065	0.8
83.04984	0.4
83.08617	0.8
85.02898	0.5
85.06523	0.2
86.09706	30.4
91.05482	0.8
93.07057	0.8
95.04966	1.2
95.08614	0.2
97.10165	0.2
98.21066	0.8
98.98464	3.4
104.10747	2.3
105.07027	0.6
106.73234	0.2
107.04959	0.6
107.08578	0.4
109.06483	0.2
109.93296	0.2
111.08075	0.5
119.08568	0.6
121.10148	0.4
125.00008	21.3
129.06999	0.3
131.08566	0.5
133.06487	0.3
133.10136	0.4
145.10150	0.2
147.11708	0.4
149.09613	0.4
157.10127	0.5
175.11201	0.4
184.07343	100.0
185.07643	1.1
193.12248	1.3
211.13295	0.6
215.30119	0.2
267.15912	1.7
285.16928	0.8
350.39923	0.2
385.23660	0.5
459.27448	1.7
477.28506	2.8
478.28821	0.2
495.28543	0.3
585.74866	0.2
660.35083	10.6
661.34955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01879	3.2
55.05512	20.5
57.01984	1.5
57.03448	13.0
59.04997	2.0
61.02919	3.9
65.03915	2.2
67.05505	67.3
69.03416	4.7
69.07063	12.5
70.09809	6.5
71.04990	29.3
79.05052	2.7
79.05495	38.5
81.03419	46.9
81.07057	100.0
82.07397	1.9
83.04990	14.6
83.08614	20.6
85.02909	20.5
85.06538	9.2
90.10781	1.2
91.05482	44.5
93.07045	27.7
95.04964	20.4
95.08591	14.2
97.02884	5.1
97.06550	8.8
97.10168	6.3
105.07028	29.6
107.04942	5.6
107.08601	16.2
109.06510	6.5
109.10153	9.7
111.08092	7.5
113.06012	2.7
117.07008	3.7
119.08581	16.4
121.06467	3.2
121.10126	10.9
123.08072	3.2
123.11725	13.1
125.09644	1.8
129.07018	9.7
131.08565	14.7
133.06476	2.7
133.10129	22.8
135.11691	4.8
137.09705	1.4
142.07857	3.2
145.10152	2.3
147.08075	3.1
147.11691	11.4
149.09615	5.9
149.13283	7.9
151.11154	7.5
157.10132	12.9
159.11758	4.4
163.11157	2.6
165.12788	2.0
167.03383	1.5
169.12260	2.8
175.11197	13.4
177.12668	2.6
183.13844	3.9
187.13309	4.5
193.12238	27.3
195.13791	3.9
195.65991	1.3
198.15749	1.4
201.14896	1.7
211.13281	28.6
213.14877	1.5
225.14961	2.3
243.15901	4.1
253.17897	1.8
257.17538	1.8
267.15906	18.5
269.17477	17.5
285.16940	20.6
301.20074	18.9
435.27420	32.4
443.28134	3.0
453.28485	72.1
454.28848	2.3
461.28995	48.2
462.28827	2.1
467.29990	12.1
479.30011	53.8
480.30063	2.6
493.31766	3.3
506.23929	1.6
511.32745	47.0
565.00537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01863	1.8
55.05511	5.3
57.03439	9.1
57.07062	0.6
57.29824	0.6
61.02930	0.8
65.03930	1.2
67.05508	27.1
67.05872	1.5
68.95602	0.5
69.03410	1.2
69.07071	8.9
70.69392	0.9
70.69736	1.4
70.78113	0.5
71.04990	2.6
71.08614	0.7
72.35541	0.6
73.02927	0.7
79.05500	16.5
81.03421	40.3
81.07059	33.7
83.04981	4.3
83.08617	12.7
85.02898	1.1
85.06542	1.7
91.05482	13.8
93.07046	26.3
95.04971	14.1
95.08604	10.6
97.02903	2.0
97.06537	4.7
97.10175	1.7
99.08079	2.0
105.07034	8.3
107.04981	4.2
107.08598	14.9
109.06508	2.0
109.10157	2.6
111.04459	1.1
111.08077	5.8
117.06998	3.4
119.08588	8.0
121.06520	1.4
121.10138	10.6
123.08084	0.7
123.11713	1.3
125.09620	0.7
129.07016	4.5
131.08559	7.0
133.06493	1.4
133.10143	5.1
135.08037	1.2
135.11668	3.1
142.07797	1.3
147.08069	1.1
147.11685	3.5
149.09621	2.8
149.13260	13.2
151.11160	0.8
157.10150	4.8
159.11720	5.0
163.11215	0.7
166.76729	0.6
175.11157	3.9
177.12799	2.9
193.12257	10.8
195.13834	3.5
211.13257	1.3
219.13934	0.7
249.14818	1.0
260.28366	0.6
267.15912	47.3
268.16284	1.4
269.17487	59.4
270.17819	1.7
301.14307	0.8
387.25027	0.7
417.26407	1.8
435.27371	4.3
443.28085	1.3
453.28326	0.9
461.28995	100.0
462.29407	5.2
479.29947	2.4
502.22134	0.7
503.29990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	4.6
53.03941	11.9
55.01870	9.1
55.05517	46.4
57.03438	15.4
57.07070	5.6
60.04509	2.8
60.08147	3.8
65.03941	6.9
67.05171	5.1
67.05509	92.2
69.03435	29.5
69.07072	18.4
69.41840	6.0
69.42238	16.6
71.04989	12.2
71.07393	3.7
79.05499	62.5
79.08044	3.1
81.03424	100.0
81.07060	91.2
82.07384	3.7
83.04539	4.3
83.04989	48.0
83.08620	23.9
85.02914	28.4
85.06561	5.8
86.09702	13.9
87.04485	2.8
91.05491	59.0
93.07053	65.8
95.04981	33.8
95.08607	54.0
97.02900	20.0
97.06509	10.5
97.10159	11.4
97.23938	3.0
98.21445	6.8
98.98445	3.9
99.04425	4.1
99.08041	4.0
105.07037	40.6
107.04957	9.6
107.08603	39.0
109.02902	13.2
109.06496	7.5
109.10149	26.1
111.04455	22.4
111.08076	11.7
117.07011	15.0
119.08586	38.9
121.10150	31.5
123.04427	3.1
123.11707	10.6
124.99998	10.0
125.09630	5.6
127.03906	12.3
127.60811	2.9
128.06163	3.3
129.05522	15.0
129.07002	17.4
131.08575	28.9
133.06517	5.0
133.10144	25.9
135.08054	5.1
135.11700	17.1
137.09705	3.2
139.03981	2.8
143.08594	8.9
145.10136	17.9
147.08006	3.9
147.11710	19.3
149.09621	7.8
149.13272	9.3
151.11107	3.2
153.12729	8.4
155.08546	3.8
157.10158	18.8
159.11684	12.3
161.13289	9.3
163.11143	10.7
165.12740	7.0
169.10129	4.2
171.11655	5.9
173.09697	3.7
173.13234	9.1
175.11169	17.7
177.05472	4.6
177.12782	3.5
181.10036	3.6
181.12285	10.0
183.06523	3.9
183.11806	3.5
184.07341	56.7
185.07817	5.5
185.13257	4.0
189.16388	4.2
191.10655	8.0
193.12268	44.9
211.11316	6.4
211.13281	84.6
217.51558	3.4
227.12810	15.8
229.14334	3.3
261.22162	10.5
267.15903	12.4
277.21521	5.1
283.15549	9.2
285.16995	20.7
293.78781	3.6
317.24814	4.3
335.25858	45.5
337.27277	12.6
355.17404	4.9
369.24121	7.7
429.20932	8.5
443.27798	3.6
461.28915	3.4
473.26682	3.2
527.37146	13.2
545.38391	45.8
653.40558	5.7
671.41235	6.0
689.42480	21.3
707.43695	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	708.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03941	5.2
55.01875	21.4
55.05512	39.8
57.03441	31.5
57.07067	3.7
59.04997	2.6
61.02925	8.8
64.54266	1.1
65.03934	2.5
67.05508	54.9
69.03424	11.6
69.07067	14.3
70.04213	1.5
71.01341	3.0
71.04694	0.9
71.05000	8.9
72.26029	0.9
73.02914	5.9
77.62183	0.9
79.05495	51.3
80.06291	1.2
81.03419	100.0
81.07057	50.4
82.04194	6.2
82.87971	0.9
83.04985	34.7
83.08621	37.5
84.02122	1.3
85.02904	35.0
85.06545	3.7
85.94576	0.9
86.09694	1.8
91.03934	3.2
91.05485	52.6
93.07052	35.7
95.04971	51.5
95.08612	20.4
96.05750	1.4
97.02876	10.4
97.06539	11.9
97.10170	19.1
98.07292	7.0
98.20700	2.0
98.21402	4.8
99.04475	2.4
99.08103	3.2
101.06023	2.5
103.05445	1.6
105.07032	35.1
107.04953	15.8
107.08598	19.1
109.02862	1.4
109.06509	8.0
109.10157	17.4
110.07300	1.1
111.04448	6.4
111.08086	18.2
113.05994	3.1
115.05471	2.4
116.04713	16.6
117.07021	5.5
119.04938	1.7
119.08586	27.5
120.09435	1.3
121.06492	6.1
121.10142	15.6
123.04413	1.2
123.08063	8.1
123.11677	3.4
125.06013	1.7
125.09644	21.0
127.03886	1.2
127.07523	1.2
127.11226	2.1
128.06219	1.5
129.05487	40.8
129.06984	18.0
130.07744	1.1
131.08568	19.5
133.06522	3.3
133.10136	20.2
135.08055	4.4
135.11714	5.9
136.08807	1.9
137.09642	5.3
139.07513	1.7
139.11177	1.2
142.07762	5.2
143.07013	8.6
143.10576	1.1
145.05107	1.1
145.06490	1.5
145.10126	7.2
147.08078	6.8
147.11693	22.1
149.09613	12.6
151.11206	2.0
153.09105	2.7
153.12749	3.8
155.08545	1.2
155.10608	1.6
157.08612	18.5
157.10133	21.2
158.05762	2.2
163.11220	10.5
165.12816	5.4
171.06508	3.7
171.10178	6.5
173.09630	1.7
173.11703	4.7
175.11192	22.4
181.12315	5.1
183.11632	1.2
184.07332	3.5
185.11803	1.4
189.11217	7.7
191.10631	3.6
193.12251	80.6
194.12608	1.3
199.09589	1.3
199.13295	18.5
200.14049	2.5
209.11751	11.4
210.12462	1.9
211.13300	94.6
212.13562	1.4
227.12791	15.3
229.14357	3.1
241.14420	1.3
247.13319	3.1
249.14880	2.2
255.15909	4.6
257.17609	1.5
267.15921	32.4
283.15381	17.5
284.16153	2.8
285.16959	73.8
286.17395	1.1
298.17688	1.3
301.16461	91.1
302.16754	2.4
339.18073	1.9
382.27548	1.5
385.23557	1.7
409.25815	4.8
421.25766	1.1
427.26770	3.0
439.26880	9.2
447.27118	1.1
459.27267	4.5
475.27069	5.3
476.27457	3.2
477.28311	4.7
493.27942	24.2
494.28665	7.5
511.29037	68.9
512.29413	2.8
655.32635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58724	3.7
53.03939	12.0
55.01858	12.9
55.05509	39.2
57.03421	12.9
57.07062	15.0
58.07415	5.4
60.08155	6.8
65.03943	4.3
67.05173	6.0
67.05506	81.0
69.03436	24.0
69.07071	25.2
70.80205	4.6
71.04984	10.4
71.56662	4.2
71.57062	5.6
79.05493	68.5
81.03424	82.2
81.07059	91.1
83.04983	40.9
83.08613	30.6
83.31509	3.5
85.02901	20.8
86.09715	26.3
87.04472	69.2
87.10040	4.4
89.69067	3.6
91.05478	72.1
93.07044	66.3
95.04972	30.8
95.08608	56.4
95.15955	3.4
97.02896	22.9
97.06509	15.2
97.10151	12.8
98.98463	4.5
99.04437	5.7
104.10729	7.0
105.07037	52.8
107.04942	11.6
107.08593	35.3
109.02873	13.2
109.06475	8.0
109.10145	20.7
111.04462	19.0
111.08084	12.3
117.07024	16.3
119.08588	39.2
121.06514	13.1
121.10132	29.5
123.08074	4.7
123.11705	13.3
125.00013	20.0
127.03915	14.2
129.05444	13.3
129.07011	16.0
131.08578	34.5
133.06470	5.8
133.10161	30.9
135.08078	5.2
135.11682	16.7
137.05986	4.2
137.09557	3.8
143.08536	11.4
145.10120	22.4
147.08037	6.2
147.11702	31.1
149.09622	7.8
149.13216	7.6
153.05492	3.8
153.12694	6.2
155.08530	6.3
157.10161	19.4
159.11653	12.1
161.13251	7.3
163.11162	9.0
171.11688	8.4
173.13307	6.8
175.11206	14.0
181.12230	9.8
184.05771	6.2
184.07353	100.0
185.07738	19.3
191.10687	7.9
193.12245	33.4
196.96414	3.7
209.11678	5.8
211.13261	48.1
215.14282	3.5
224.59732	3.5
227.12796	15.6
229.14337	6.9
261.22156	11.6
267.15918	15.7
277.21744	8.6
279.23145	5.7
283.15475	7.7
285.16910	22.4
335.25677	20.8
337.27246	9.3
355.17032	4.4
369.24203	11.2
387.25446	5.7
429.21411	9.3
479.29553	5.1
496.28259	4.4
527.37042	14.3
545.38495	41.1
653.40460	10.0
683.92065	3.9
689.42603	28.7
707.46753	20.4
711.17059	4.0
724.11078	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	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37222	2.9
53.03936	10.9
55.01869	8.1
55.05513	31.7
57.03436	15.3
60.71329	2.6
60.71648	2.7
61.02914	3.9
64.83446	2.6
65.03922	3.2
67.05507	80.6
69.03430	20.2
69.07066	21.7
69.79169	16.6
71.04986	12.2
71.08643	3.6
79.05489	63.1
81.03422	100.0
81.07060	84.1
83.04987	38.3
83.08620	26.3
85.02900	17.1
85.06522	3.1
87.45241	2.8
91.05483	53.8
92.72839	2.9
93.07049	62.3
95.04970	24.9
95.08619	54.5
97.02887	21.0
97.06507	11.2
97.10170	5.3
98.20715	4.0
98.21282	5.6
99.04476	7.3
105.06400	2.8
105.07048	40.8
107.04944	7.0
107.08591	30.9
109.02879	11.4
109.06509	10.2
109.10162	27.6
111.04445	23.6
111.08068	9.3
113.06028	4.4
116.27041	3.9
117.07007	12.4
119.08596	36.2
121.06537	5.7
121.10159	26.9
123.08063	7.3
123.11714	11.1
125.09647	7.5
127.03891	14.3
128.06197	3.0
129.05475	10.7
129.06981	12.6
131.08559	24.0
133.06531	5.9
133.10152	21.9
135.08089	3.2
135.11728	14.1
143.08580	7.2
145.10112	17.4
147.08034	4.0
147.11699	26.7
149.09634	9.1
149.13243	8.7
153.12700	6.8
155.08553	4.8
157.10118	16.1
159.11649	8.6
161.13274	6.0
163.11153	8.6
165.12816	4.3
169.10059	3.8
171.11664	5.4
173.13258	8.8
173.91046	2.9
175.11211	11.9
179.14267	2.9
181.12241	9.9
183.11588	4.5
187.14827	4.8
189.12845	4.0
191.10655	9.2
193.12234	37.9
209.11588	3.8
211.13284	58.5
211.15210	4.2
227.12770	17.8
229.14354	5.8
243.21016	3.6
261.22122	12.7
266.89810	3.1
267.15930	13.3
277.21539	4.2
283.15234	6.5
285.17014	21.2
317.24792	3.6
335.25815	36.7
337.27350	10.2
353.16006	3.2
355.17612	6.4
369.24194	4.1
387.25217	3.5
405.26340	5.0
427.19675	3.3
429.21066	10.3
527.37115	8.5
530.39001	5.8
545.38342	49.6
653.40100	4.4
689.42670	21.8
707.41754	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.5
53.03950	10.1
55.01881	5.6
55.05512	35.7
57.03444	12.7
57.07075	3.1
61.02924	3.0
65.03941	6.3
67.05505	74.1
69.03435	20.8
69.07070	24.0
71.05001	11.0
73.02905	3.9
79.05495	58.4
79.05961	3.7
81.03418	100.0
81.06576	3.9
81.07056	76.6
82.07375	2.2
83.04987	43.1
83.08624	21.6
85.02901	23.5
85.06524	3.9
91.05478	47.6
93.07049	53.7
95.04969	29.4
95.08610	57.9
97.02898	23.2
97.06564	11.6
97.10165	5.8
98.20935	13.8
98.21612	5.6
99.04449	4.7
99.08072	3.3
101.02464	2.5
105.07038	39.4
107.04954	9.8
107.08583	32.3
109.02872	12.3
109.06500	7.7
109.10166	26.4
111.04468	19.9
111.08101	11.8
114.39427	2.3
117.06280	2.1
117.07001	13.3
119.08589	29.8
121.06523	3.4
121.10138	26.0
123.04458	2.5
123.08102	3.3
123.11711	9.4
125.09624	3.3
127.03918	9.4
129.05511	12.8
129.07007	10.5
131.08568	22.7
133.06514	5.2
133.10120	15.4
135.08037	2.8
135.11710	17.4
137.09569	3.3
143.08614	5.8
145.06548	3.2
145.10114	18.3
147.08035	5.0
147.11714	19.9
149.09593	9.5
149.10654	2.5
149.13257	5.6
151.11116	3.0
153.12756	8.4
155.08636	4.6
157.10141	16.6
159.11700	11.2
161.13324	6.1
163.11197	6.7
165.12796	3.4
169.10188	3.2
171.11734	2.6
173.09692	3.5
173.13274	8.5
175.11191	15.0
175.14841	2.8
181.12204	7.0
184.07413	3.7
185.13220	4.8
187.11308	2.8
187.13245	2.8
189.11200	2.6
191.10670	9.9
193.12247	39.5
195.13800	2.5
209.11670	2.8
211.13272	62.6
227.12756	15.2
229.14488	4.3
232.08531	2.2
235.13060	2.9
243.21167	2.4
261.22214	10.9
267.15948	12.3
269.17618	3.1
277.21579	3.1
283.15353	6.2
285.16986	19.2
303.23135	3.7
322.23410	2.5
335.25812	46.3
337.27307	8.1
351.23486	2.6
355.17426	3.8
369.24237	6.5
387.25345	2.8
411.19998	2.8
425.34537	2.2
427.19431	3.4
429.21237	10.6
443.27899	4.2
461.28674	2.7
527.36987	8.8
530.39594	2.7
545.38409	44.4
617.17920	3.1
653.39606	5.1
671.40637	4.2
689.42493	19.2
707.43628	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	706.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12836	0.1
55.05502	0.1
56.04810	0.1
56.05033	0.9
57.07077	0.2
58.06619	0.5
59.07136	0.1
59.07397	0.2
60.08164	7.0
67.05491	0.2
70.06599	0.1
70.70476	0.2
70.70837	0.1
71.07375	3.7
71.35746	0.1
73.35146	0.1
74.52157	0.1
79.05485	0.1
81.07066	0.1
86.09706	33.4
87.04465	0.1
87.10029	0.2
95.08595	0.2
98.98466	3.5
98.99118	0.2
104.10747	2.7
116.99438	0.1
125.00007	23.4
143.01044	0.3
147.53311	0.1
152.35342	0.1
177.93486	0.1
184.07343	100.0
185.07669	0.8
460.39780	0.1
496.33798	0.1
688.45367	0.1
706.46564	6.2
707.46442	0.4
734.75928	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	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74457	0.1
55.05516	0.2
56.05024	0.7
57.07071	0.3
57.19508	0.2
58.06350	0.2
58.06615	0.4
59.07379	0.3
60.08165	6.3
67.05495	0.3
69.07059	0.3
69.99904	0.7
70.06573	0.2
71.07379	3.9
71.08643	0.2
81.07042	0.2
86.09708	33.5
87.04456	0.6
87.10036	0.2
91.05486	0.3
94.72610	0.1
95.08592	0.4
98.21129	0.3
98.98472	3.7
104.10745	2.6
125.00006	21.7
141.99646	0.1
143.01010	0.2
155.87358	0.2
163.01532	0.1
184.07343	100.0
185.07748	1.2
186.07747	0.3
209.11827	0.2
219.17422	0.2
260.58920	0.1
418.70023	0.2
496.34268	0.3
509.46179	0.2
523.40118	0.2
546.40210	0.2
609.26953	0.3
706.46539	8.1
707.47052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44151	0.4
57.03408	0.6
62.10178	0.4
69.96017	2.0
82.79467	0.4
82.99834	0.9
86.99343	0.4
94.99892	0.5
97.02884	0.4
97.78825	0.4
98.14871	0.4
98.20885	0.7
98.21455	1.0
101.00867	4.5
113.00892	1.2
119.01922	9.9
122.01383	1.4
127.02378	1.0
127.03903	0.5
128.01331	0.6
131.01923	6.3
131.51952	0.8
137.01892	2.9
137.02962	1.2
139.02435	0.8
143.01897	16.4
143.51985	0.6
144.02000	0.5
145.03453	6.1
149.01903	1.2
152.02431	1.6
153.03940	0.5
155.01875	7.8
155.03052	0.5
157.03494	4.5
158.02351	0.6
161.02968	15.8
163.04576	0.8
164.02426	0.6
167.01915	6.6
169.03520	2.2
171.05022	2.5
173.02962	13.4
173.53085	1.2
174.03154	0.7
175.04546	1.5
179.01848	2.4
181.03409	0.5
182.03499	0.9
185.02963	30.0
186.03175	1.1
187.04518	2.6
197.02962	12.8
199.04485	0.8
203.03990	12.2
203.05692	0.6
203.54114	1.2
209.02916	2.0
215.04018	9.2
221.05063	1.3
224.04506	1.6
227.04018	8.5
233.05215	0.8
245.05081	100.0
246.05261	1.9
254.05586	1.0
257.05084	4.6
263.06125	11.5
264.06345	0.5
265.11105	0.4
275.06122	13.5
283.19522	0.5
284.06693	3.2
284.56735	1.3
286.07535	0.6
293.07193	3.7
305.07172	12.2
317.07092	1.0
335.08261	3.4
347.08295	1.0
365.09308	47.5
365.59146	1.0
366.09540	1.7
366.48593	0.5
383.10373	2.5
407.10345	0.9
425.11417	37.8
426.11395	1.3
437.11490	3.1
455.12540	2.3
485.13391	0.5
557.43164	0.5
599.62024	0.4
707.18787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04487	0.9
53.03944	4.3
55.01870	5.5
55.05262	1.4
55.05516	20.5
57.03444	8.7
57.07080	2.1
59.05001	4.2
61.02929	4.8
67.05507	57.7
68.05831	1.4
69.03431	4.9
69.07063	9.6
69.53468	7.2
71.01350	1.8
71.04993	24.3
73.02935	1.4
79.05052	2.2
79.05496	30.4
81.03418	13.2
81.07061	89.2
82.07404	2.4
83.01352	5.4
83.04992	11.8
83.08623	13.1
85.02910	6.7
85.06534	7.9
86.09698	2.3
87.04476	1.1
91.03982	2.1
91.05486	29.9
93.07050	33.9
95.04984	9.6
95.08609	15.1
96.96734	1.0
97.02897	5.6
97.06512	7.9
97.10163	3.7
98.20683	1.1
98.21250	3.6
99.04478	2.5
99.08087	1.8
105.07049	17.5
107.04954	6.7
107.08603	20.3
109.02845	1.1
109.06547	7.0
109.10165	9.0
111.04449	4.1
111.08080	2.6
117.07011	8.9
119.08581	9.1
121.06521	4.3
121.10144	9.8
123.08069	7.6
123.11707	13.6
125.05991	1.4
125.09610	1.7
127.03957	2.3
129.06999	2.7
130.07753	1.3
131.08583	5.7
131.79993	1.0
133.10149	15.3
135.07990	2.4
135.11705	10.3
137.09628	2.4
143.08597	1.6
145.10135	12.1
147.08066	2.4
147.11694	2.4
149.09615	2.5
149.13252	6.0
151.11221	5.8
153.12747	1.6
155.08546	2.3
157.89064	1.1
159.11700	4.5
163.11160	17.1
173.04405	1.1
173.09665	2.8
177.12808	2.5
181.12227	3.1
183.13818	3.6
184.07365	4.6
187.13263	5.2
191.10689	2.3
195.13841	2.2
201.14888	1.4
209.11784	4.3
223.13155	1.6
227.12788	2.4
229.83354	1.1
234.80479	1.0
267.15997	1.6
269.17432	9.9
275.20071	1.6
276.20294	1.9
283.15390	22.6
301.20059	13.6
433.25735	1.2
451.26944	100.0
452.27072	3.5
459.27325	3.8
465.15775	1.3
465.28351	8.1
477.28491	49.3
478.28702	1.5
491.30280	1.2
509.31137	98.2
510.31400	3.2
544.36481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
55.05515	11.0
55.73474	0.8
57.03189	1.0
57.03442	11.1
61.02945	0.8
65.03928	0.9
67.05506	18.4
67.05865	1.0
69.03428	2.6
69.07053	4.3
70.10560	3.0
71.05005	2.9
79.05058	1.3
79.05502	18.6
81.03420	78.7
81.07063	19.0
82.03749	1.4
83.04985	9.3
83.08623	18.8
85.02907	8.6
91.05482	23.2
93.07047	12.7
95.04974	25.9
95.08610	7.6
97.02900	2.9
97.06529	2.8
97.10184	4.3
98.20847	1.1
98.21374	1.2
105.07040	14.9
107.04970	6.1
107.08591	7.7
109.06527	5.6
109.10176	3.1
111.04454	3.2
111.08088	8.3
115.05494	1.6
117.07018	3.3
119.08591	15.2
121.06494	4.5
121.10131	8.3
123.08080	3.5
123.11710	1.4
125.09631	2.7
129.07025	10.7
131.04895	1.1
131.08563	10.9
133.06512	3.9
133.10121	8.0
135.08043	1.1
135.11696	1.7
137.09663	1.5
142.07784	2.7
143.08575	1.1
145.06496	4.0
145.10127	2.3
147.08095	3.1
147.11697	9.7
149.09590	5.8
151.11156	1.0
155.08551	2.1
157.06523	1.3
157.10150	11.2
159.08145	1.4
163.11200	1.9
165.12720	2.5
171.08052	1.7
175.11179	11.6
187.11162	0.9
189.11198	1.2
193.12244	32.2
195.11574	1.3
211.11351	1.3
211.13301	17.6
213.12875	1.5
223.13255	0.9
227.12756	1.7
229.14331	1.2
249.14862	2.7
255.13792	2.2
267.15921	100.0
268.16293	3.3
273.14893	3.5
285.16925	14.7
341.21173	0.9
349.21539	3.9
367.22729	9.5
385.23761	11.6
392.40903	0.9
403.24680	3.8
405.24051	1.4
415.24887	1.2
433.25867	12.2
441.26282	5.4
459.27420	59.8
460.27789	3.2
477.28500	39.6
478.28497	1.9
585.29889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.6
55.05510	29.4
55.51794	2.0
56.05833	2.4
57.03436	17.1
60.08177	1.9
61.02927	7.8
65.03956	2.2
66.52102	1.9
67.05508	43.4
68.05818	2.4
69.03441	14.2
69.07075	11.9
71.04996	5.3
79.05499	43.2
80.05836	3.5
81.03422	98.1
81.07058	43.2
83.04557	2.1
83.04992	14.8
83.05424	2.9
83.08628	25.4
85.02917	8.1
85.06546	3.1
85.63919	1.9
86.09722	15.7
86.81863	2.3
91.03925	3.2
91.05487	36.7
92.05803	4.4
93.07057	32.8
94.07368	2.2
95.04971	42.7
95.08601	22.8
96.08971	1.9
97.02912	11.1
97.06536	6.8
97.10182	16.4
105.07030	33.3
107.04963	20.3
107.08586	20.3
109.02914	3.6
109.06520	10.9
109.10161	10.5
111.04455	5.0
111.08088	11.4
115.05463	2.3
117.07047	17.0
119.08583	28.2
120.91735	1.9
121.06498	11.2
121.10164	13.5
123.04456	3.0
123.08077	5.8
123.11705	3.0
124.99998	14.6
125.09629	16.0
128.06212	2.9
129.07022	17.3
131.08582	22.8
132.08919	3.6
133.06500	4.9
133.10150	17.0
135.08038	7.9
135.11674	5.3
136.12018	4.1
137.09700	3.1
141.06995	2.8
141.15141	2.0
142.07796	3.8
143.08580	10.5
145.06505	5.6
145.10143	12.1
146.10443	3.0
147.04425	3.7
147.08038	7.3
147.11726	15.1
149.09610	9.1
151.11217	4.1
153.09099	4.9
153.28333	2.0
155.08524	5.5
157.10130	18.5
158.10583	2.0
159.08081	3.7
159.11703	7.0
161.09628	2.8
161.13245	2.8
163.11186	7.1
167.08598	3.0
169.10109	3.9
171.11703	7.1
172.12175	2.3
173.04431	2.4
173.09596	3.6
173.13266	4.7
175.11218	12.4
177.12802	2.7
181.10211	2.7
183.11661	2.7
184.07350	60.1
185.13255	4.7
187.14969	3.3
189.11273	5.1
193.12265	35.8
194.12553	2.4
195.11731	4.9
197.13281	4.2
205.12198	2.3
209.13330	4.0
211.11327	2.4
211.13242	5.5
215.14421	3.7
220.49724	2.5
227.12784	5.7
233.15520	2.9
235.13356	2.8
253.14195	3.0
267.15921	92.4
268.16327	2.6
273.14890	7.6
275.20059	3.7
285.16626	2.2
339.23157	3.1
349.21674	6.5
367.22784	15.0
385.23703	26.7
403.24655	7.1
429.20734	2.3
434.31567	3.3
441.26498	6.2
452.32468	3.7
459.27426	100.0
460.27869	4.8
477.28531	69.5
491.30084	4.7
509.30728	2.7
526.36383	10.9
543.36780	10.9
544.37097	51.9
567.29340	3.8
606.33868	2.5
606.47754	2.7
620.50751	2.2
688.41077	5.2
704.96509	2.4
706.42493	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	706.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
53.22318	1.3
55.01874	14.1
55.05263	1.4
55.05511	23.5
57.03438	17.0
57.07050	1.8
59.05025	1.1
61.02908	3.5
63.99273	1.2
64.51588	1.1
65.03941	1.8
67.05506	41.4
69.03417	6.7
69.07066	13.4
70.36314	1.3
70.73206	2.0
70.73547	2.6
71.01341	1.9
71.04996	7.0
73.02892	5.8
79.05495	44.8
81.03418	34.3
81.07060	37.9
82.04186	2.3
83.01337	2.1
83.04979	16.5
83.08622	18.5
84.02116	1.4
85.02915	6.1
85.06533	2.9
87.04472	1.5
91.04961	1.9
91.05483	29.3
93.06464	2.6
93.07047	49.4
95.04977	18.6
95.08608	35.9
97.02869	7.1
97.06535	8.3
97.10159	12.4
98.07294	4.2
98.20798	1.4
98.21369	1.6
99.04453	4.0
99.08103	1.2
105.07035	21.0
107.04972	12.9
107.08598	35.4
109.06522	6.5
109.10134	8.2
111.04429	2.7
111.08080	5.5
113.05988	1.3
114.09083	1.3
116.04739	10.8
117.07005	11.8
119.08591	19.9
119.95465	1.2
121.06493	5.5
121.10147	16.5
123.08043	7.7
123.11705	1.8
125.06001	3.4
125.09631	12.4
129.05490	22.7
129.06995	5.6
131.08577	7.2
133.06406	1.9
133.10132	9.7
135.08017	3.7
135.11687	46.2
137.05995	2.1
137.09587	2.3
139.07510	1.5
143.07025	6.9
143.08562	3.2
143.10657	1.6
145.06496	1.5
145.10117	29.1
147.07982	2.7
147.11690	7.6
149.09639	3.7
153.09081	2.0
153.12753	4.3
157.08586	15.0
157.10095	6.7
158.05717	2.3
161.13245	2.3
163.11188	66.1
171.10172	3.4
171.11678	3.6
173.09703	2.0
173.11797	1.7
175.11186	3.0
181.12227	14.1
184.07326	3.6
189.11272	6.4
189.12708	2.2
191.10718	2.6
193.12189	6.6
199.13277	4.5
200.14076	1.7
207.13837	5.7
209.11699	6.2
210.12498	2.3
211.13271	2.6
216.07300	1.3
226.11983	1.8
227.12784	81.1
228.13206	2.8
229.14262	1.5
255.15916	2.1
265.14252	1.8
267.15930	20.7
281.17453	13.5
283.15396	77.5
284.15924	3.8
299.14871	1.6
301.16449	73.1
331.02441	1.5
337.16293	1.6
407.24344	1.4
437.25278	5.5
459.27380	1.4
473.29056	29.9
475.27039	10.6
477.27933	2.9
487.90558	1.5
491.26321	7.5
492.27151	9.8
509.27457	100.0
510.27759	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	706.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31268	1.4
51.67424	1.5
53.00291	1.8
53.03943	3.7
55.01870	6.7
55.05259	1.6
55.05510	19.4
57.03437	13.1
59.04996	3.4
61.02916	4.9
61.79536	1.4
67.05164	1.8
67.05506	23.0
69.03425	4.8
69.07064	6.8
70.68214	3.1
70.68549	1.3
71.04992	2.4
72.16544	1.3
73.02934	2.6
74.45365	1.2
79.05489	23.6
81.03422	55.8
81.07058	29.9
83.04980	12.5
83.08618	24.6
85.02905	22.4
85.06528	2.8
91.03964	2.0
91.04963	2.6
91.05483	36.1
93.07042	20.7
95.04971	22.8
95.08609	7.9
97.02881	7.2
97.06522	4.1
97.10166	4.6
99.00819	14.7
99.04407	1.8
103.05493	1.8
105.01842	1.2
105.07035	24.7
106.36555	1.3
107.04961	10.0
107.08598	11.8
108.24888	1.5
109.02891	9.6
109.06538	4.2
109.10170	8.1
111.04431	2.8
111.08096	10.6
113.05980	1.6
115.03960	2.1
115.05469	2.2
117.07015	5.3
119.08581	21.1
121.06494	6.1
121.10140	8.4
123.08049	3.9
123.11710	2.0
125.09626	1.5
127.03902	3.9
128.06195	1.7
129.07018	9.7
131.08588	9.2
133.06514	2.8
133.10138	34.1
135.08139	1.6
135.11676	2.8
137.05981	2.5
137.09599	2.8
139.07526	2.0
142.07751	2.1
143.08594	3.4
145.10135	1.9
147.08047	3.9
147.11719	9.6
149.09586	4.6
151.11192	11.7
157.10132	10.7
161.09604	16.7
163.11101	2.4
165.09187	1.4
165.12724	2.1
171.08018	4.2
175.11200	8.6
179.10706	7.0
189.09119	6.9
193.12250	32.1
197.11717	1.5
207.10144	3.2
211.13293	51.3
225.11215	8.8
243.12193	3.8
267.15918	22.1
281.13834	4.1
283.15408	2.0
285.16953	51.0
299.14899	62.9
300.15094	2.3
301.83725	1.3
459.27429	5.4
473.25226	4.1
477.28595	3.0
483.03516	1.4
491.26193	15.7
495.29428	2.9
509.27457	100.0
510.27557	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	706.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24575	1.1
53.03941	4.7
55.01875	18.4
55.05261	1.9
55.05511	29.3
57.03436	22.4
57.07071	3.4
59.04992	3.3
60.08149	1.2
61.02920	8.1
62.06085	1.7
65.03930	2.3
66.78218	0.8
67.01337	1.1
67.05173	2.3
67.05505	33.2
68.72978	0.9
69.03422	5.4
69.07074	9.9
69.82887	2.1
69.83301	2.8
71.01348	1.9
71.05006	5.2
73.02915	4.9
79.05493	38.9
81.03424	28.6
81.07058	32.9
82.04196	4.6
83.01344	8.0
83.04980	21.7
83.08620	19.1
83.91539	1.1
84.02128	1.8
85.02907	12.6
85.06558	2.0
86.09703	3.8
91.03951	2.3
91.05479	28.1
93.07049	35.5
95.04973	22.4
95.08607	11.9
96.05709	1.4
97.02893	9.4
97.06549	8.6
97.10172	12.4
98.07319	5.7
98.21238	3.0
99.04448	3.1
99.08089	2.5
101.06007	1.6
103.05470	1.4
105.04530	1.6
105.07034	17.3
107.04954	13.2
107.08601	22.3
109.02879	1.3
109.06515	10.6
109.10165	8.2
111.04433	3.3
111.08077	4.7
113.06109	0.9
116.04713	9.0
117.07014	9.5
119.08594	15.0
121.06496	5.5
121.10150	10.9
123.08076	12.7
125.00014	2.5
125.06001	2.4
125.09628	12.9
127.03934	1.5
127.11142	1.4
129.05486	28.1
129.06953	5.9
131.08592	7.2
133.06516	1.7
133.10132	7.7
134.10512	1.0
135.08057	3.9
135.11710	13.4
137.09598	3.8
143.07022	6.8
144.63402	1.1
145.10132	16.8
147.08022	4.7
147.11716	6.6
149.05952	1.7
149.09587	3.4
153.09062	1.4
153.12752	4.6
155.08592	1.8
157.08592	12.6
157.09998	2.5
158.05724	2.8
163.11183	25.8
165.12782	1.1
167.07048	1.2
171.06509	1.6
171.10150	5.5
171.11565	1.7
173.09639	5.5
173.11774	2.2
175.11218	2.5
181.12234	6.1
184.07326	13.1
189.11194	6.5
190.09935	1.5
191.10664	6.2
193.12230	4.0
199.13344	5.8
200.14027	2.0
201.14922	1.7
207.13860	1.8
209.11737	12.0
210.12503	3.5
211.13298	3.5
217.14363	1.0
227.12781	17.9
229.14307	1.3
255.16074	2.4
265.14209	2.1
267.15912	12.2
281.17404	3.6
283.15402	100.0
284.15958	4.1
285.16919	1.6
301.16458	76.0
302.16837	2.2
337.16367	3.4
340.82907	1.0
352.05026	1.2
365.19601	1.5
383.22003	1.7
407.24109	1.6
425.25073	1.9
437.25369	5.0
457.25635	3.5
473.28973	11.5
474.25864	1.7
475.26996	10.7
477.28217	1.9
491.26416	3.2
492.27155	7.0
509.27435	90.3
510.27582	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	705.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03947	1.2
55.01877	2.7
61.48373	0.4
64.32886	0.5
65.03928	2.8
67.05507	3.1
67.57069	0.5
68.99789	1.3
69.03427	1.9
69.24653	5.3
77.03924	1.0
79.05499	4.6
81.03419	1.8
81.07050	1.1
82.04185	0.7
83.01316	0.6
83.04947	0.5
85.02886	2.8
91.05492	3.2
93.03411	1.3
93.07063	0.9
95.04980	5.7
95.08616	0.8
97.02890	1.1
97.06532	0.8
103.05503	0.6
105.03391	2.2
105.07055	2.6
105.07674	0.6
107.04954	12.9
107.08539	0.5
108.02155	0.5
109.02876	1.7
109.10091	0.5
110.03661	1.2
111.04437	1.5
115.05448	0.8
117.07034	1.0
119.04946	4.8
119.08541	0.7
121.02871	0.9
121.06546	0.6
122.03562	0.5
123.04430	37.3
124.05180	1.6
125.05991	2.6
127.03889	1.0
133.06480	2.4
133.10109	1.1
135.04413	4.3
137.02306	0.9
137.05986	2.3
139.03902	15.6
142.02658	1.4
145.06496	2.2
147.03230	1.1
147.04410	19.8
151.03905	100.0
152.04422	1.0
153.01830	0.8
153.05530	3.4
161.05992	7.0
163.03929	4.7
163.07498	0.6
165.05478	7.5
167.07050	24.4
169.06433	0.7
171.06551	2.1
173.05994	4.3
173.09492	0.5
175.03857	0.6
175.07436	1.0
179.03398	0.7
179.07024	1.4
181.04961	43.9
182.05307	0.9
183.06497	0.9
187.07573	0.9
189.05486	1.7
191.06985	0.7
193.04958	4.4
193.08656	5.4
197.06075	1.1
201.05444	3.1
205.08577	3.0
206.05725	0.6
207.06476	2.6
211.07521	0.6
215.07043	1.7
217.08655	1.4
221.05934	0.7
221.08084	12.9
233.08089	3.8
239.06972	1.0
243.06575	1.0
249.07530	4.8
257.08105	0.8
261.07614	0.6
267.06491	0.7
285.07516	2.8
303.08630	64.3
304.08926	1.7
327.95938	0.6
387.14383	16.6
403.13889	58.0
404.14282	1.2
415.13907	21.2
416.14249	0.8
553.17157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09621	0.9
53.03938	2.5
55.01863	3.6
55.05510	17.5
57.03188	0.8
57.03433	6.3
57.07058	2.2
60.13157	0.8
60.48635	0.9
61.02925	11.6
65.03940	1.6
67.05505	28.6
69.03432	10.9
69.07070	9.7
71.04986	4.7
71.08592	0.8
73.02920	5.6
77.03960	0.8
79.05495	23.1
81.03413	23.2
81.06571	1.4
81.07053	25.9
83.04982	8.1
83.08624	9.1
85.02897	9.2
85.06546	2.5
91.03944	4.9
91.05476	24.5
91.05915	0.5
91.06063	0.9
93.07046	23.4
95.04966	8.4
95.08604	15.1
97.02901	13.4
97.06514	3.8
97.10172	6.6
98.20723	2.0
98.21400	3.5
99.04456	4.0
99.08066	1.1
101.02387	1.6
103.05458	1.8
105.07030	22.4
107.04967	5.0
107.08597	15.6
107.64466	0.8
109.02869	3.4
109.06509	3.9
109.10165	10.7
111.04440	3.0
111.08092	3.0
115.05450	2.2
117.07016	11.8
119.08582	17.5
121.06497	2.2
121.10134	9.3
123.08043	2.3
123.11715	2.5
125.09644	6.4
127.03898	3.2
128.06223	2.2
129.05484	1.9
129.07005	8.3
131.08565	16.5
133.06480	2.6
133.10141	11.4
135.08060	3.4
135.11688	6.4
137.09589	1.7
141.06985	3.2
142.07761	1.7
143.08553	10.8
144.98022	0.9
145.06470	3.1
145.10132	12.9
147.08102	4.1
147.11696	11.0
149.05995	1.3
149.09607	3.2
149.13234	1.7
151.11212	1.3
153.12802	1.4
154.07756	1.1
154.28017	0.9
155.08585	5.5
156.09319	1.2
157.06509	1.6
157.10126	11.1
159.08076	2.8
159.11699	9.5
161.09653	1.9
161.13225	4.1
163.11110	3.9
165.06915	1.2
166.07732	1.1
167.08578	3.4
169.10092	6.2
171.08018	1.2
171.11667	7.9
173.04497	2.5
173.09644	3.1
173.11780	2.0
173.13266	6.5
175.11214	3.3
175.14870	2.1
176.11519	1.0
179.08522	1.1
181.10098	2.9
181.12199	1.9
183.08089	1.2
183.11710	5.2
184.07367	1.4
185.09673	2.2
185.13278	5.9
187.11215	2.2
187.13271	0.9
187.14822	2.9
189.11148	2.4
189.12695	1.4
191.10670	1.8
193.10463	1.4
193.12271	5.4
195.07881	1.0
195.11703	3.0
197.13278	4.3
199.11168	1.2
199.14825	2.5
201.12819	1.1
201.16458	0.9
203.10825	1.0
203.14458	1.1
205.10081	1.2
207.11664	1.3
209.13300	2.3
211.11263	1.6
211.13275	6.8
211.14778	1.5
213.12738	2.1
213.16460	1.6
216.72775	0.8
219.11658	0.8
221.13170	1.2
223.14749	1.7
225.16368	1.3
227.12776	3.8
233.15440	1.1
237.16484	1.1
239.14310	1.4
241.19492	2.5
243.15907	1.1
255.17473	0.9
257.19067	1.8
259.20544	7.6
267.15894	3.5
275.20013	2.9
283.15216	1.4
283.20590	2.7
285.17035	2.7
287.20090	1.4
297.18750	1.1
297.21881	1.5
299.20096	1.3
299.23697	2.7
301.21527	1.5
311.20264	1.4
313.21729	2.0
315.23297	1.8
325.21628	1.2
333.24127	6.6
335.26068	1.3
339.23447	1.2
357.24179	2.0
367.22827	1.9
371.25787	1.1
375.24997	1.2
385.23770	1.2
403.24603	1.2
407.24548	1.0
415.29898	1.5
421.25812	1.6
423.32535	1.4
429.21100	2.1
433.30975	3.4
435.27139	1.3
441.26364	1.0
451.32224	6.0
469.33093	4.9
507.34589	1.8
515.37219	1.8
525.35742	19.6
541.34918	1.8
543.36804	100.0
544.36920	3.8
567.36566	1.3
585.38000	1.5
616.53528	0.9
639.39008	1.2
651.39069	5.1
669.40076	5.0
687.41016	10.2
705.42059	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	704.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05027	0.8
57.07059	0.3
58.06348	0.2
58.06620	0.5
60.08164	7.1
67.05493	0.5
69.79333	0.5
69.79736	0.3
71.07375	3.7
71.08614	0.2
79.05512	0.3
79.96259	0.1
81.07051	0.5
86.09706	35.8
87.10009	0.2
93.07035	0.3
95.08598	0.3
96.14565	0.1
98.20987	0.4
98.98471	3.7
104.10748	3.2
107.08588	0.2
115.37444	0.2
125.00004	22.8
143.01073	0.3
145.10161	0.2
163.11276	0.2
180.52806	0.1
184.07339	100.0
185.07724	0.7
496.33981	0.3
510.88290	0.2
664.94666	0.2
704.44952	11.3
705.45123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02937	0.1
55.05502	0.2
55.17120	0.1
56.05033	0.7
57.07066	0.2
57.12077	0.1
58.06323	0.2
58.06624	0.4
60.08163	6.1
67.05505	0.7
69.07039	0.2
69.25485	0.1
69.61807	0.2
69.62222	0.4
70.06599	0.1
71.04981	0.2
71.07374	3.4
71.08632	0.1
71.42328	0.1
79.05489	0.4
81.03452	0.1
81.07056	0.8
83.08615	0.2
86.09705	29.7
87.10043	0.2
91.05473	0.4
93.07039	0.3
95.08604	0.4
98.20866	0.2
98.21466	0.2
98.98460	3.5
104.10744	2.2
105.07053	0.3
107.08599	0.3
109.10153	0.2
116.99513	0.1
121.10152	0.1
123.11728	0.2
125.00004	20.7
133.10132	0.4
143.01048	0.2
151.11203	0.2
184.07338	100.0
185.07739	0.7
231.44647	0.1
232.93256	0.1
253.14386	0.9
271.15466	0.2
278.33722	0.1
311.25980	0.2
384.97723	0.1
496.34027	0.1
507.37228	0.2
519.40179	0.1
563.43219	0.7
654.40753	0.3
704.44940	5.0
705.45099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.8
57.03440	13.8
57.06828	2.6
57.07082	29.3
67.05508	35.1
69.03409	3.4
69.07076	16.6
71.04987	3.2
71.08636	23.5
71.57829	2.4
72.57597	1.6
79.05497	20.1
81.07060	55.6
83.04982	4.7
83.08627	17.0
85.06541	3.9
85.10201	10.4
86.09736	3.4
86.49776	1.9
88.99775	1.9
90.95243	1.8
91.05468	8.7
93.07054	32.9
95.04984	3.9
95.08612	25.1
97.06523	7.2
97.10179	4.8
98.21146	1.7
103.07550	2.3
105.07052	3.2
107.08606	17.6
109.06512	2.2
109.10151	9.5
111.08076	4.3
111.11749	2.9
117.07000	4.5
121.10147	13.7
123.11703	3.1
131.08571	5.9
133.10118	3.2
135.11716	6.7
145.28392	1.7
149.13268	18.1
159.11731	7.8
177.12744	5.1
184.07324	8.3
195.13809	9.3
211.30479	1.7
213.14868	1.9
238.27568	1.8
269.17487	97.1
313.27362	59.0
377.12842	1.8
377.18338	1.8
380.79010	2.1
498.85928	2.7
507.40460	100.0
508.40836	2.4
561.55701	2.0
587.48523	1.7
631.75256	1.8
715.68768	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
53.03934	7.3
55.01860	7.7
55.05262	2.5
55.05511	29.2
57.03435	8.3
57.07069	2.7
59.05000	3.0
61.02914	8.6
65.03930	2.8
66.05878	1.7
67.05507	50.1
69.03425	17.3
69.07074	13.2
71.04992	5.8
71.57697	1.6
71.58070	2.2
73.02905	6.7
79.05502	38.7
81.02976	2.8
81.03421	34.5
81.07063	40.6
83.04988	9.9
83.08614	11.8
85.02902	14.7
85.06525	3.1
91.03951	3.8
91.05482	40.9
93.07043	30.3
95.04969	17.8
95.08614	26.8
97.02906	13.3
97.06532	7.2
97.10173	15.9
99.04518	3.0
99.08082	1.8
103.05423	2.3
105.06393	1.2
105.07032	36.8
107.04959	7.8
107.08595	19.5
109.02914	8.6
109.06520	6.7
109.10155	11.3
111.04437	5.1
111.08051	2.6
115.05442	3.2
117.07021	17.7
119.08575	20.5
121.06518	6.2
121.10169	10.3
123.08061	4.5
123.11691	2.7
125.09631	12.6
127.03947	9.0
128.06226	5.1
128.89444	1.6
129.07005	14.2
130.07759	2.4
131.08583	21.1
131.70828	1.6
133.10107	14.1
135.08058	7.2
135.11679	5.5
137.09601	2.6
141.06987	6.9
142.07779	4.0
143.08569	16.3
145.06456	4.3
145.10126	15.0
147.08022	3.5
147.11682	9.9
149.09587	3.6
149.13228	2.9
155.08530	8.7
157.10159	13.2
159.08061	5.7
159.11748	8.9
161.09682	2.0
161.13203	2.7
163.11197	5.0
167.08556	4.5
169.10126	11.5
171.08087	4.1
171.10419	2.0
171.11723	11.7
173.04514	10.2
173.09595	3.1
173.11748	1.9
173.13237	4.7
179.08530	2.4
179.14188	1.8
181.10109	4.6
181.24094	1.9
183.08078	1.9
183.11615	9.0
185.09673	2.1
185.13275	7.6
187.11130	1.7
187.14891	2.7
189.11227	6.5
193.10194	4.2
193.12241	3.8
195.11697	5.4
197.09569	2.4
197.13248	6.6
199.11131	2.4
205.10136	1.8
209.13261	4.5
211.11227	2.1
211.13150	2.9
219.11748	2.9
223.14835	2.6
227.12656	8.3
229.14369	2.1
259.20609	5.0
275.20139	16.2
281.19199	1.9
283.15527	2.0
291.19437	3.6
295.20377	2.5
297.22079	8.7
315.23160	3.5
333.24213	2.7
339.23218	2.6
353.16000	2.0
355.22827	2.1
367.22479	1.9
421.30911	2.7
431.29263	4.8
449.30548	7.7
467.31821	2.2
513.35553	2.3
523.34351	11.7
541.35278	100.0
542.35614	4.0
559.35956	6.8
583.35840	2.4
588.72632	1.7
649.37079	2.3
667.38647	3.0
685.38727	6.6
703.40234	35.8
704.39746	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	704.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.5
53.03953	9.3
55.01876	16.4
55.05515	32.0
57.03446	16.7
57.07093	5.0
58.20829	1.6
59.04993	1.7
61.02918	5.0
65.03947	3.7
67.05510	71.7
69.03432	10.5
69.07072	16.0
71.01361	2.3
71.04995	6.1
71.57810	2.7
73.02905	4.7
79.05499	90.4
80.05848	4.6
81.02973	3.6
81.03426	45.6
81.07063	56.8
82.03764	2.4
82.04186	5.0
82.07388	2.8
83.04985	25.9
83.08633	16.3
84.08957	2.8
85.02916	7.0
85.06550	5.8
85.75758	2.3
86.09714	3.0
91.05483	71.1
92.05831	3.5
93.07050	76.3
95.04980	36.9
95.08612	38.3
97.02907	9.1
97.06535	13.0
97.10179	16.1
98.07310	5.0
99.04493	2.1
99.08088	2.4
103.05437	2.2
105.04500	3.1
105.07039	47.5
105.07758	2.4
107.04967	19.2
107.08604	37.0
109.02909	6.6
109.06558	10.8
109.10169	12.4
111.04439	5.9
111.08092	7.7
116.04734	7.8
117.07050	15.5
119.08589	33.6
120.08934	3.6
121.06535	6.8
121.10137	13.2
123.08070	12.4
123.11743	3.9
125.09646	17.2
127.03965	3.0
127.07562	2.3
128.06221	3.6
129.05499	24.9
129.07004	22.0
130.02895	2.0
131.08578	15.6
133.06546	2.5
133.10141	20.3
135.08073	6.4
135.11713	10.5
137.09637	4.0
143.07048	5.1
143.08592	10.3
145.06451	2.9
145.10127	20.9
147.08038	5.2
147.10519	2.6
147.11693	42.2
148.01463	2.4
149.09679	6.7
151.11201	4.2
153.09163	2.3
153.12791	2.6
155.08609	2.0
157.08649	8.8
157.10123	6.8
159.11690	5.2
161.09644	4.7
161.13232	10.9
163.11191	15.3
165.12799	3.3
169.10219	3.4
171.10240	4.3
171.11662	29.1
173.04486	3.5
173.09633	2.7
175.11194	3.6
177.12758	2.3
181.12212	4.4
184.07474	13.5
189.11214	7.5
189.12785	9.1
191.10724	7.4
193.12265	8.3
199.13350	7.5
207.13843	27.8
209.11781	4.1
211.13339	7.6
212.13632	3.6
213.95264	2.2
223.13100	2.6
225.14821	3.7
227.12817	14.4
228.13142	3.6
229.14410	3.7
265.14398	5.0
267.15994	7.8
269.17557	4.5
275.19992	9.5
276.20471	4.5
281.17477	55.5
283.15454	8.9
285.16739	2.7
295.49411	2.1
301.16473	48.0
331.22647	2.5
363.21521	2.7
405.26352	2.4
433.12256	2.3
435.27234	9.5
443.18234	2.6
473.29086	6.3
489.28503	12.8
490.29129	6.2
507.29559	100.0
508.29529	4.0
542.35376	7.4
686.39178	2.9
704.41010	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.1
53.00293	1.1
53.03951	11.6
55.01875	15.9
55.05516	29.6
57.03437	7.3
57.07082	1.6
59.81702	1.2
64.66310	1.2
65.03947	5.6
67.05506	53.0
69.03434	18.5
69.07072	33.5
69.85688	3.6
69.86101	2.1
71.04990	7.4
73.02945	1.5
79.05492	50.9
81.03419	79.2
81.07060	67.8
83.04989	20.7
83.08619	18.6
85.02922	13.3
85.06547	2.2
86.09713	1.0
87.04493	1.2
91.05485	71.6
93.06458	2.5
93.07050	44.0
95.01331	10.7
95.04973	27.7
95.08607	33.6
97.02895	16.1
97.06534	25.6
97.10174	5.9
98.20913	2.9
98.21490	1.5
99.04476	4.2
99.08080	1.7
103.05490	2.7
105.04513	2.8
105.07033	82.5
107.04968	21.8
107.08601	22.9
109.02882	12.2
109.06533	6.8
109.10159	12.6
111.04445	11.0
111.08067	8.5
113.05991	1.4
113.09683	1.8
115.05479	3.7
117.07024	18.3
119.04911	1.2
119.08590	49.8
121.06527	4.1
121.10143	14.6
123.04415	4.5
123.08071	5.2
123.11749	3.5
125.09618	5.5
126.12027	1.1
127.03912	8.0
128.06253	1.8
129.05487	2.0
129.07013	12.7
130.07779	1.1
131.05080	1.5
131.08572	29.7
131.09520	2.2
133.06517	4.3
133.10133	40.9
135.08075	5.1
135.11700	9.5
137.05983	1.5
137.09639	3.1
139.07536	1.7
141.06992	3.1
142.07770	2.0
143.08546	8.6
145.06503	4.7
145.10132	21.8
147.08066	4.9
147.11684	19.9
149.09615	9.4
149.13283	4.7
151.11215	2.3
153.12811	2.9
154.07780	1.4
155.08577	3.3
157.06473	1.5
157.10136	12.9
159.08080	3.3
159.11668	12.6
161.09689	2.0
161.13301	6.8
163.11195	7.7
165.09137	2.6
165.12819	3.3
167.08557	1.7
169.10153	4.3
171.08003	1.5
171.11726	6.2
173.04480	2.8
173.09698	2.5
173.13298	5.0
175.11191	8.1
177.12737	5.5
179.14330	17.4
181.12283	4.4
183.11755	5.1
184.07376	1.1
185.09674	1.9
185.13393	1.6
187.11217	4.8
187.14932	1.7
189.11238	2.2
191.10751	2.5
193.12244	19.1
195.11804	2.2
195.13766	1.6
197.13330	2.8
199.11115	1.4
199.14967	1.2
201.12837	2.0
205.12244	1.6
211.11324	2.3
211.13283	25.1
211.15195	1.4
213.12971	1.5
219.13855	1.7
219.17496	1.3
227.12810	4.0
229.19592	1.5
239.17964	2.5
247.17400	1.3
247.20520	2.7
256.26663	1.6
257.18973	9.2
267.16019	3.3
273.18698	2.8
275.20074	100.0
276.20435	3.0
285.17078	3.8
291.04282	1.3
291.19446	2.4
293.21085	7.7
313.22226	1.3
337.16904	2.4
348.79459	1.2
349.23669	11.9
355.17426	8.6
411.20114	8.6
439.40796	1.1
457.26132	1.9
504.98822	1.2
541.35120	17.4
542.35620	2.4
559.36456	5.5
667.38104	1.6
685.39557	4.4
703.40448	64.5
704.40607	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01968	2.0
53.03949	12.0
53.99623	1.9
55.01871	10.7
55.05512	36.3
57.03438	12.2
57.07067	3.0
61.02910	4.5
65.03924	6.0
67.05173	4.4
67.05506	62.3
69.03429	27.8
69.07063	22.0
70.61317	5.1
71.04983	8.8
73.02911	3.6
79.05052	3.8
79.05494	60.6
81.03421	100.0
81.07059	75.2
83.04980	18.3
83.08621	25.4
85.02914	19.9
85.06563	2.8
91.05482	65.2
93.07045	47.2
95.04973	30.9
95.08598	31.2
97.02895	21.4
97.06517	9.7
97.10162	15.1
99.04442	8.7
103.05451	3.8
105.04489	3.3
105.07032	53.5
107.04947	16.6
107.08595	30.7
109.02876	14.7
109.06525	13.4
109.10159	15.8
111.04427	8.4
111.08051	6.3
115.05428	4.0
117.07013	25.5
119.04906	4.3
119.08589	44.7
121.06483	6.7
121.10156	23.9
123.04419	6.7
123.08041	7.6
123.11669	5.2
125.09626	9.7
127.03893	11.6
128.06218	7.2
129.05467	2.4
129.07005	20.3
131.04936	5.1
131.08566	32.7
133.06458	7.0
133.10135	30.4
135.08038	10.1
135.11685	12.6
137.09627	4.8
141.06973	5.3
142.07742	6.3
143.08546	15.1
145.06483	7.3
145.10121	27.9
147.08041	8.4
147.11685	19.7
149.09630	10.3
149.13277	3.3
151.07593	2.1
151.11203	4.0
153.09148	2.4
155.08562	12.5
157.06531	4.2
157.10095	17.5
159.08093	5.6
159.11685	17.5
161.09586	5.9
161.13257	4.6
163.11110	5.9
165.06975	2.4
165.12717	2.8
167.08577	4.8
169.10089	11.5
171.07988	4.3
171.11661	7.8
173.04489	15.0
173.05910	3.5
173.09552	5.0
173.13275	5.7
175.11160	6.7
177.12698	6.0
179.08400	2.3
181.10074	6.0
181.12248	3.3
181.30190	2.3
183.11652	6.4
185.09579	4.0
185.13226	5.7
187.11185	4.1
189.11206	5.0
191.10771	2.8
193.10542	3.4
193.12242	21.0
195.11708	5.9
197.09592	3.0
197.13219	5.2
199.11160	3.2
201.16231	2.5
205.12160	3.0
209.13365	2.9
211.11270	4.2
211.13210	19.3
213.12773	4.0
225.12871	2.5
227.12764	6.5
239.17963	3.0
255.17526	2.7
257.19046	9.6
267.15854	13.8
273.14975	4.8
273.18448	4.1
275.20099	31.5
279.20792	2.7
285.16940	7.5
297.21741	2.4
299.20013	4.1
301.14169	4.2
319.15240	3.4
331.22650	3.3
349.23615	7.0
355.17392	3.1
355.21997	2.1
411.19910	3.6
419.24905	2.4
443.28055	2.3
449.30392	4.1
475.26572	3.3
523.34027	7.3
541.35272	39.0
559.36243	6.6
583.36420	2.9
605.33295	4.3
649.36670	4.5
667.38226	6.7
685.39246	15.4
703.29089	4.1
703.40485	54.8
704.40527	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35611	1.3
53.03951	12.0
55.01873	14.0
55.05255	2.8
55.05510	35.0
57.03450	11.3
57.07058	2.0
59.05015	1.6
61.02931	4.9
65.03938	7.6
67.05506	63.0
69.03432	27.7
69.07071	24.7
69.53506	8.8
69.53918	3.3
71.04998	11.6
73.02919	2.5
79.05495	65.8
81.03421	100.0
81.07056	84.3
83.04985	24.3
83.08614	24.1
85.02905	22.5
85.06561	5.6
91.05481	75.7
92.05813	2.5
93.07044	50.3
95.04971	30.4
95.08617	35.4
96.56207	1.4
97.02899	19.4
97.06518	12.2
97.10171	12.9
98.20895	4.9
99.04450	7.5
99.08094	3.4
103.05444	2.9
105.07033	60.6
107.04955	17.4
107.08598	34.7
109.02880	17.6
109.06522	11.0
109.10152	16.8
111.04451	12.3
111.08089	7.9
115.05476	5.5
117.07016	29.0
119.04937	2.8
119.08586	49.2
120.05859	1.6
121.02915	1.8
121.06522	11.0
121.10140	20.3
123.04435	4.5
123.08096	8.6
123.11730	5.0
125.02357	2.6
125.09644	9.6
127.03906	15.3
128.06236	5.3
129.05513	4.2
129.07016	21.3
131.05003	4.0
131.08571	31.9
133.06464	9.8
133.10129	28.2
135.08051	9.2
135.11662	8.5
137.06013	2.8
137.09644	4.9
141.07028	6.9
142.07790	6.8
143.08566	14.9
145.06517	6.2
145.10118	28.5
147.08067	6.4
147.11685	28.1
149.06046	1.9
149.09630	12.6
149.13271	4.2
151.07565	2.6
151.11203	3.4
153.07106	2.0
153.09178	1.8
155.08556	11.0
156.09328	2.0
157.06508	4.4
157.10126	20.1
159.08101	4.3
159.11681	15.2
161.06065	2.5
161.09668	4.6
161.13295	4.9
163.11179	10.7
163.15007	1.9
165.07050	2.7
165.12839	4.3
167.08574	4.1
169.10173	8.7
171.08099	4.4
171.11711	13.0
173.04501	13.3
173.09648	5.7
173.13248	7.8
175.11186	10.4
177.12810	3.9
179.08612	2.3
179.14323	2.9
181.10193	5.9
181.12273	3.2
182.11081	2.3
183.06612	2.2
183.08115	3.6
183.11705	7.4
185.09628	2.8
185.13309	5.6
187.11208	3.7
187.14880	2.1
189.09175	2.3
189.11234	4.6
189.12820	3.9
191.10695	4.2
191.14351	2.4
193.12241	26.0
195.11763	4.8
197.09729	2.4
197.13348	5.8
199.11266	4.6
199.14844	3.0
201.12830	3.8
207.11652	2.2
209.13374	3.6
211.11301	4.0
211.13231	28.5
211.14902	2.1
213.12776	2.8
213.16464	3.2
227.12839	4.4
229.14365	2.2
229.19608	4.3
239.14288	1.8
239.17992	3.9
257.18979	12.4
267.15884	12.0
273.15106	2.8
273.18524	4.8
275.20078	42.1
285.16846	7.6
293.21136	4.8
297.18399	1.6
297.22125	2.7
299.20154	2.1
301.14377	2.4
311.20078	2.4
313.21548	2.3
319.15570	2.0
331.22659	4.4
337.16565	1.9
337.21634	2.2
341.21234	2.3
349.23926	8.6
355.17783	3.6
355.22769	3.0
365.21213	4.1
373.23660	2.2
383.22330	4.2
393.19437	1.7
401.23367	4.4
411.19995	2.6
419.24435	3.0
449.30692	5.9
456.22003	1.7
461.28406	1.9
467.31638	2.3
475.26596	3.1
523.34290	4.7
541.35266	31.7
559.36334	9.1
570.01752	1.6
583.35748	2.0
613.36023	1.8
624.79919	2.1
631.60272	1.7
649.37238	3.8
667.38092	6.9
685.39801	11.3
703.40485	65.1
703.52887	3.2
704.40741	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	697.3766
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
52.39735	0.5
53.03953	1.2
55.01879	0.6
55.05499	1.2
57.03426	1.7
57.07056	0.6
61.02916	4.1
67.05503	7.7
69.03433	2.1
69.07065	1.9
71.04982	2.9
71.56601	0.5
71.57037	0.5
73.02915	2.9
75.72470	0.6
79.05497	4.0
81.03442	2.9
81.07058	6.4
83.04990	1.1
83.08620	1.5
85.02901	4.4
85.06538	1.6
87.79222	0.5
91.03947	3.2
91.05480	3.1
93.07042	4.7
95.08601	1.6
97.02887	3.2
97.06542	1.0
99.04441	0.7
101.02398	1.6
103.03893	0.7
105.07034	2.1
107.08599	3.0
109.02920	1.2
109.10179	1.5
109.64536	0.5
111.08139	0.8
117.07009	1.3
119.08572	1.3
121.10167	1.7
127.03922	1.0
131.08601	0.9
133.10153	2.7
135.11717	1.2
146.13849	0.6
149.13287	2.6
151.11250	0.8
153.74852	0.6
159.11743	1.6
187.13263	1.0
233.21373	0.5
243.08490	2.3
253.00067	0.6
267.15796	1.3
346.18488	0.6
403.16861	0.6
453.20963	7.8
485.23618	6.9
544.50848	0.6
625.31531	3.0
665.36243	0.6
697.37665	100.0
698.37775	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05510	1.0
57.03433	2.1
59.05012	0.5
61.02934	3.2
67.05505	4.2
69.03433	2.1
69.07077	1.3
70.78151	0.6
71.05003	0.8
73.02930	2.4
79.05498	3.8
81.03414	3.6
81.07057	2.8
83.04980	1.4
83.08627	1.0
85.02912	2.9
85.06542	0.5
91.03951	2.0
91.05486	3.1
93.07044	3.7
95.04959	1.7
95.08614	1.8
97.02904	3.1
97.06546	1.0
97.10176	0.8
98.01099	0.4
98.21198	0.4
99.04485	0.8
101.01803	0.3
101.02396	1.6
103.03996	0.4
105.07064	1.7
106.47694	0.3
107.04955	0.5
107.08601	3.5
109.02884	0.6
109.06539	0.4
109.10199	1.0
111.04481	0.3
113.03471	0.3
115.05482	0.5
119.08595	1.8
119.09341	0.4
121.10146	2.3
125.09669	0.4
127.03922	1.1
129.05528	0.4
129.07018	0.8
131.08607	1.1
133.10170	0.9
135.11713	2.7
137.09671	0.4
145.10182	0.8
147.11687	1.0
149.09647	1.5
151.11157	0.4
157.10130	1.1
163.11223	0.7
167.07111	0.4
175.11217	1.4
181.12285	0.4
185.04262	0.5
193.12262	1.3
211.10828	0.8
221.11496	0.5
225.14902	0.5
243.08394	2.0
255.16013	0.5
267.16162	0.8
277.13971	0.6
283.15146	3.1
339.17905	0.8
346.31223	0.4
439.19406	8.6
439.25085	0.6
474.75616	0.4
501.23114	8.0
537.30774	0.6
699.35602	100.0
700.35895	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	699.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01868	2.7
55.05513	29.9
57.03434	18.3
57.07074	60.6
65.03957	3.0
67.05504	39.6
68.41299	1.8
69.03437	9.8
69.07069	20.2
70.30433	6.8
71.01343	5.6
71.04985	4.1
71.08631	45.2
79.05487	21.2
81.03415	84.3
81.07057	45.9
83.04984	16.7
83.08614	36.8
85.02902	23.7
85.06547	3.4
85.10180	22.0
91.05476	28.9
93.07045	16.4
94.07404	1.9
95.01334	11.5
95.04962	28.3
95.08607	36.0
97.02905	10.4
97.06533	4.2
97.10178	9.7
98.21384	2.2
103.56347	2.0
105.07024	19.4
107.04966	7.9
107.08586	8.0
109.06528	7.7
109.10146	19.0
111.04461	4.8
111.08096	11.5
113.02361	3.7
115.05477	1.8
117.06984	4.2
119.08567	21.6
121.06457	4.0
121.10154	7.1
123.08031	2.3
123.11709	5.8
125.02356	4.4
129.07004	9.5
131.08577	11.0
133.06477	3.7
133.10150	7.4
133.59116	1.9
137.13202	2.7
141.01825	26.0
142.07776	4.1
143.03444	2.1
145.10158	4.3
147.08081	3.4
147.11671	17.9
149.09654	6.7
153.12840	2.2
157.10164	14.5
160.28328	1.9
163.11220	3.3
165.12744	3.5
175.11201	18.2
193.12253	56.4
211.13290	61.1
227.12740	4.1
229.14482	2.6
239.23637	14.7
239.81070	2.0
249.14839	2.5
257.24786	3.0
267.15933	47.4
285.16980	13.2
313.27365	100.0
369.15372	4.5
443.18948	7.0
505.38937	36.0
523.39911	83.2
547.39954	2.2
681.42279	5.2
699.43463	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27064	3.9
53.03921	4.7
55.05508	16.9
57.03429	13.8
57.07076	26.6
59.20126	3.8
61.20252	4.0
67.05505	43.8
69.07070	12.5
69.26915	40.4
69.41888	3.5
71.08640	25.5
74.74245	4.1
79.05497	50.4
79.58437	4.0
81.03443	6.5
81.07072	34.0
83.05000	12.2
83.08612	7.6
85.10194	10.2
91.05482	40.4
93.07047	43.7
95.04955	16.3
95.08614	29.6
98.21138	21.6
105.07027	30.3
107.04967	6.3
107.08578	10.1
107.45549	3.6
109.06528	4.6
109.10197	10.7
117.07046	4.6
119.08577	16.5
129.06999	16.0
133.10121	5.8
143.08600	5.9
145.10127	8.7
147.11679	26.9
155.61932	4.3
161.13277	6.8
171.11707	16.1
189.12785	12.5
207.13797	21.3
262.93549	4.4
281.17456	57.8
300.44989	4.2
313.27335	59.0
334.04034	4.2
519.40466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89507	0.6
53.03945	2.6
55.01866	0.8
55.05517	2.9
56.45425	0.6
57.03428	1.4
58.32765	0.6
67.05162	0.7
67.05505	7.9
69.03426	2.2
69.07054	2.1
71.01315	0.6
71.05006	1.0
71.12463	0.6
71.58032	1.1
72.62754	0.6
74.06068	0.7
79.05498	7.4
81.03420	64.3
81.07056	6.6
83.04983	2.3
83.08620	12.8
85.06555	1.6
86.59638	0.6
91.05494	10.0
91.06052	0.5
93.07063	5.1
95.04971	16.5
95.08604	2.3
97.02894	2.4
97.10163	1.0
105.07040	9.6
107.04956	4.5
107.08583	1.5
109.06517	2.4
109.10145	1.1
111.04457	1.6
111.08076	4.0
115.05466	1.0
117.07009	1.3
119.08587	8.3
121.06514	1.9
121.10120	3.7
121.18495	0.6
123.08063	0.7
129.07016	7.6
131.08574	5.2
133.06500	2.6
133.10133	3.6
137.05922	0.8
137.09636	2.1
139.55754	0.6
142.07808	1.9
145.10097	1.3
147.08058	2.3
147.11697	5.9
149.09636	4.3
153.01840	1.1
157.10126	7.6
161.09599	1.3
163.11200	1.0
165.12808	0.7
167.07054	0.8
175.11183	6.8
193.12230	11.3
202.11774	0.6
218.15437	0.7
236.16441	5.3
249.14876	2.3
267.15881	2.6
386.28839	1.0
408.17786	0.7
459.27423	100.0
460.27820	3.1
600.29291	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05035	0.8
57.07071	0.2
58.06360	0.1
58.06611	0.4
60.08164	6.6
67.05512	0.9
69.07054	0.4
69.84446	0.7
71.07375	3.7
79.05498	0.4
81.07066	0.7
83.08605	0.3
86.09708	30.9
87.10033	0.3
89.06018	0.2
91.05474	0.3
93.07039	0.5
95.08604	0.5
97.06538	0.2
97.10187	0.2
98.21117	0.5
98.21701	0.1
98.98466	3.5
98.99117	0.2
104.10744	2.9
105.06996	0.2
105.36646	0.1
107.08585	0.3
121.10152	0.2
125.00009	21.4
143.01039	0.3
149.13240	0.2
175.18680	0.2
184.07346	100.0
185.07693	0.7
186.00313	0.2
263.42795	0.1
269.17410	0.8
311.25937	0.3
398.43524	0.1
399.67770	0.2
496.33646	0.2
505.39175	0.9
519.40698	0.1
544.79340	0.2
702.47052	6.6
703.47437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01872	1.7
55.05518	8.7
55.05741	1.9
57.03435	2.4
57.07079	14.6
67.05511	17.8
69.03426	1.5
69.07076	7.1
71.04990	2.1
71.08648	10.0
79.05492	10.0
81.03423	33.2
81.03894	1.1
81.07059	21.7
83.04972	2.5
83.08625	9.9
85.10182	5.3
91.05476	12.6
93.07047	12.8
95.04975	10.2
95.08607	14.4
97.06547	2.2
97.10184	2.8
98.20841	6.6
98.21519	2.9
99.08068	1.9
105.07041	9.7
107.04997	2.5
107.08590	4.7
109.06547	2.3
109.10169	5.0
111.08070	2.2
117.06986	2.5
119.05029	1.6
119.08613	8.2
121.06535	3.1
121.10146	4.3
123.11745	2.8
129.07022	6.7
131.08586	5.3
133.10159	5.1
135.08148	2.0
135.11705	2.4
145.10138	2.9
147.08154	1.7
147.11678	3.6
149.09628	2.7
149.13280	1.9
157.10101	4.6
159.11742	1.4
163.11232	2.0
175.11208	5.0
193.12231	5.1
236.16423	4.0
267.16025	1.9
269.17450	4.0
313.27127	1.8
336.26669	1.6
460.35962	1.6
463.30966	2.5
505.38904	100.0
506.39328	3.4
535.11511	1.9
541.27600	1.7
580.13837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05502	0.6
57.03433	1.3
58.38179	0.3
61.02934	4.0
63.87108	0.3
67.05502	1.8
69.03435	2.5
69.07078	1.0
71.05022	0.5
71.57059	0.5
73.02921	2.4
79.05495	2.0
81.03418	5.3
81.07066	2.8
83.04968	0.9
83.08630	1.2
85.02904	5.6
86.09697	0.5
87.04447	0.4
91.03961	2.6
91.05490	3.2
93.07063	1.8
95.04974	1.7
95.08601	1.0
97.02894	3.1
97.06547	0.7
98.20953	0.5
99.04478	1.0
101.02383	2.0
105.07025	2.5
107.04973	1.1
107.08620	0.7
109.02913	0.5
109.06509	0.7
111.08091	0.9
113.06053	0.7
119.07897	0.4
119.08599	2.2
121.10123	0.5
123.08105	0.6
125.00026	0.5
127.03922	1.1
128.06313	0.4
129.07018	0.9
131.08612	1.4
133.06445	0.4
133.10126	1.7
137.06018	0.4
137.83656	0.4
145.10216	0.5
147.11748	2.2
149.09653	0.7
149.21358	0.4
157.10158	0.8
171.36334	0.3
175.11192	1.0
184.07385	1.6
193.12300	1.7
196.26704	0.4
211.13361	1.5
243.08376	2.1
251.12587	1.7
285.17307	0.5
303.05112	0.9
303.08264	0.5
307.15341	0.6
382.70703	0.4
469.20456	11.9
530.70459	0.4
535.29114	0.5
697.34027	100.0
698.34393	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
54.14626	0.6
55.01878	0.9
55.05513	7.9
57.03182	1.1
57.03440	13.5
65.03941	1.1
67.05510	25.3
68.12547	0.6
69.03432	1.6
69.07074	7.9
71.01348	2.7
71.04984	3.2
71.38480	0.9
73.02914	0.7
79.05497	25.6
79.05961	1.5
81.03421	41.7
81.07060	16.1
83.04988	7.0
83.08624	10.6
85.02887	1.6
85.06536	2.3
86.09702	1.8
91.03929	0.7
91.05483	13.5
93.07050	29.1
95.04361	1.0
95.04971	15.6
95.08610	3.8
97.02896	1.7
97.06533	6.2
97.10173	7.0
98.21331	0.7
99.08112	1.6
101.15823	0.8
105.07038	7.7
107.04939	4.3
107.08601	19.9
109.06512	1.8
109.10145	3.3
111.04462	1.1
111.08076	3.8
113.35347	0.6
115.05443	0.8
117.07030	3.3
119.08593	8.2
121.06527	2.5
121.10151	6.3
123.08084	0.9
125.00006	1.2
125.09649	1.3
129.07047	4.5
131.08553	3.6
133.06526	1.4
133.10132	4.4
135.08105	1.0
135.11699	30.2
136.12025	0.7
137.09621	1.7
142.07822	1.3
145.06548	0.8
145.10143	5.6
147.08052	1.2
147.11723	4.6
147.14258	0.6
149.09663	3.2
153.12785	0.9
157.10110	5.2
163.11186	5.5
175.11189	5.8
177.79741	0.6
181.12221	4.8
182.43848	0.6
184.07362	6.1
189.11221	0.7
193.12256	11.8
197.37978	0.7
199.13162	0.7
205.12384	0.9
211.13274	0.9
223.19292	0.6
231.13985	0.7
243.04341	0.8
249.14888	1.3
255.15930	69.7
256.16241	1.2
267.15939	42.5
269.17383	0.9
285.16861	1.0
347.82162	0.6
375.17108	0.7
380.15176	0.6
403.24695	1.9
421.25885	6.8
429.26334	1.2
447.27438	100.0
448.27847	4.7
465.28305	3.6
479.30042	1.9
489.28812	1.9
497.30804	0.7
502.12463	0.6
555.29926	0.9
573.30127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	1.4
55.05515	13.9
57.03439	6.7
57.07066	3.9
61.02928	22.8
65.03936	1.7
67.05509	73.9
69.03417	3.5
69.07068	12.7
71.04995	2.7
73.02909	8.8
79.05498	42.6
81.03407	1.7
81.07063	76.4
83.04981	2.6
83.08613	8.9
85.02422	1.8
85.02911	29.3
85.06551	3.6
86.17857	1.4
88.04797	1.1
91.03966	27.4
91.05489	20.0
93.07053	51.8
94.07383	1.5
95.04947	3.1
95.08613	60.8
96.04482	1.2
97.02896	12.9
97.06535	4.4
97.10168	3.9
97.63978	1.2
97.98228	1.1
98.21124	6.8
99.08119	2.7
101.02341	1.3
102.91884	1.1
105.07028	16.7
107.08602	32.5
108.08927	1.3
109.10165	39.5
111.08100	2.6
113.09626	1.8
115.03901	2.5
115.96963	1.1
117.07014	6.8
119.08585	15.8
121.10149	31.9
122.10427	1.4
123.08043	1.7
123.11724	17.4
125.09547	1.4
127.03914	10.0
131.00116	1.2
131.08580	18.1
133.10135	15.5
135.11702	27.3
137.09654	2.1
137.13292	7.6
139.11226	1.8
145.04982	12.2
145.10136	15.0
147.11671	10.7
149.13268	23.1
151.11241	2.5
151.14847	2.2
159.11713	13.1
161.13263	10.7
163.06024	19.0
163.14842	13.4
165.12709	3.0
173.13283	15.0
175.14821	3.9
177.12770	3.4
177.16356	5.4
179.14326	2.7
184.07338	1.5
187.14798	8.4
191.14336	1.8
201.16406	3.4
205.15881	2.7
224.92641	1.1
229.14384	1.8
233.22644	2.8
243.21104	37.0
261.22153	100.0
262.22482	3.3
263.23965	1.5
263.99069	1.2
269.17468	1.4
270.17831	1.4
279.23172	6.0
317.24802	2.3
335.25793	37.4
353.26868	55.0
354.27362	1.3
411.68948	1.2
484.95285	1.2
497.30661	6.0
589.35132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.05509	10.4
57.03435	5.6
57.07083	2.7
61.02637	2.1
61.02926	22.1
65.03939	1.7
67.05506	53.0
69.03436	4.0
69.07076	10.4
71.05008	2.7
73.02921	9.1
79.05493	35.5
81.03373	1.8
81.07065	61.9
83.08614	6.7
85.02905	29.2
85.06558	3.4
91.03963	21.5
91.05477	17.7
93.07046	45.1
95.04969	2.8
95.08606	42.3
97.02905	16.8
97.06526	2.6
97.10162	4.9
98.20712	3.4
99.04449	3.6
105.07024	14.6
107.08594	28.8
109.10152	24.8
109.10845	2.8
111.08070	2.2
113.09663	1.6
117.07015	8.9
119.08578	13.4
121.10139	27.4
123.08039	1.9
123.11720	13.9
127.03934	10.7
129.07094	1.7
131.08557	17.9
133.10118	12.6
135.11703	26.2
137.09627	2.0
137.13245	5.8
145.04971	13.5
145.10104	11.8
147.11688	11.0
149.13277	15.4
159.11682	11.0
161.13249	8.0
163.06013	17.5
163.11163	1.7
163.14835	16.2
165.12785	2.4
173.13284	12.6
175.14841	2.9
177.12817	2.8
177.16383	6.9
179.14273	2.8
187.14871	8.4
195.11603	1.6
201.16415	3.7
212.62758	1.7
215.17906	2.5
218.73280	1.7
233.22620	3.0
243.21072	32.4
244.21561	1.9
251.26175	1.6
261.22144	100.0
262.22589	4.4
263.23883	1.7
269.10074	1.8
287.15402	1.5
335.25815	17.0
353.26862	51.3
354.26932	3.0
526.92767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
59.77406	1.5
61.08688	1.2
65.33987	2.0
67.05492	1.7
68.99786	2.4
69.03416	2.0
69.28189	2.7
69.28591	10.2
73.35726	1.1
81.03405	3.0
83.04974	1.3
85.02901	2.4
91.05473	2.2
93.61516	1.2
95.04974	3.1
97.02884	2.8
98.21124	7.0
101.16154	1.2
109.02847	1.4
111.04446	2.0
119.04926	4.4
123.04436	57.3
127.03929	3.4
137.02377	1.6
137.05962	2.4
139.03912	100.0
140.04202	2.5
143.03435	1.6
143.04939	3.3
147.04408	16.2
151.03911	2.0
153.01836	42.9
153.05449	1.4
161.05989	8.7
163.03928	3.6
165.05492	18.6
165.17789	1.5
166.71190	1.4
167.07057	6.0
171.02882	4.0
177.05466	3.0
179.06990	3.3
207.06520	7.7
209.08206	1.7
291.08636	35.2
297.06039	3.7
315.07098	15.1
367.60880	1.5
430.15063	1.5
501.65866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
59.77406	1.5
61.08688	1.2
65.33987	2.0
67.05492	1.7
68.99786	2.4
69.03416	2.0
69.28189	2.7
69.28591	10.2
73.35726	1.1
81.03405	3.0
83.04974	1.3
85.02901	2.4
91.05473	2.2
93.61516	1.2
95.04974	3.1
97.02884	2.8
98.21124	7.0
101.16154	1.2
109.02847	1.4
111.04446	2.0
119.04926	4.4
123.04436	57.3
127.03929	3.4
137.02377	1.6
137.05962	2.4
139.03912	100.0
140.04202	2.5
143.03435	1.6
143.04939	3.3
147.04408	16.2
151.03911	2.0
153.01836	42.9
153.05449	1.4
161.05989	8.7
163.03928	3.6
165.05492	18.6
165.17789	1.5
166.71190	1.4
167.07057	6.0
171.02882	4.0
177.05466	3.0
179.06990	3.3
207.06520	7.7
209.08206	1.7
291.08636	35.2
297.06039	3.7
315.07098	15.1
367.60880	1.5
430.15063	1.5
501.65866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.05507	20.5
57.03422	6.5
57.07087	9.3
61.02929	30.1
65.03930	3.1
67.05508	79.4
67.17465	1.6
69.03430	4.9
69.06712	2.4
69.07066	25.1
69.74193	5.7
71.04974	4.4
71.08620	5.6
73.02542	1.5
73.02914	8.4
79.05056	1.8
79.05496	22.8
81.03428	3.5
81.07059	100.0
83.08626	21.4
85.02901	29.3
85.06545	2.3
91.03974	27.3
91.05480	16.1
93.07047	25.3
94.63174	1.7
95.04975	2.8
95.08607	82.3
97.02893	14.9
97.06516	6.1
97.10168	13.0
98.20970	3.5
99.08101	3.6
104.75100	1.5
105.07040	11.5
107.08611	17.5
107.11269	1.5
109.02898	2.7
109.10159	40.8
111.08076	4.9
111.11726	4.4
113.09628	3.1
115.03970	1.7
119.08590	16.1
121.10139	23.1
123.11703	21.6
127.03915	10.7
131.08549	3.3
133.10127	16.4
135.11696	15.1
137.13234	8.5
139.11122	1.5
141.12718	4.4
141.38773	1.6
145.05002	13.5
147.11676	9.2
149.13245	8.6
151.11160	2.7
151.14830	6.9
155.14326	4.6
161.13266	14.4
163.06023	19.3
163.14827	13.5
165.12665	2.2
165.16406	10.7
175.14810	11.7
177.16354	2.2
179.17999	10.0
189.16315	4.2
193.15848	1.6
201.15831	1.7
203.17955	1.8
217.19508	1.5
240.64333	1.5
245.22652	75.4
246.23045	2.2
263.23703	98.6
264.24051	3.1
264.93854	1.7
281.24612	3.4
337.27377	75.3
355.28433	14.8
365.53473	2.0
499.32635	5.3
635.94312	1.6
696.36310	4.7
706.37079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01859	2.5
55.05293	1.4
55.05514	15.0
55.49248	1.4
57.03442	15.8
59.04984	4.3
60.08168	7.0
61.02902	4.7
65.03908	1.7
67.05503	94.7
69.03419	4.1
69.07058	9.3
71.04990	27.7
71.07372	3.9
79.05056	2.8
79.05493	36.1
81.03414	51.6
81.07056	39.6
83.04992	14.8
83.08620	23.2
85.02906	21.5
85.06528	5.5
86.09209	1.9
86.09702	30.5
91.03942	2.3
91.05477	42.2
93.07037	31.1
95.04966	24.0
95.08604	20.0
97.02870	4.8
97.06531	9.5
97.10155	4.1
98.20892	6.5
98.98448	3.3
99.04429	2.1
99.08079	3.6
104.10757	1.9
105.07030	23.0
107.04955	7.9
107.08600	17.0
109.06508	5.7
109.10156	76.6
110.10516	1.6
111.04417	3.1
111.08077	11.1
113.05968	3.0
115.05455	1.7
117.07010	4.2
119.08580	30.4
121.06471	3.1
121.10155	11.5
123.08070	3.3
123.11665	1.7
124.99998	19.1
125.09647	2.7
127.33765	1.6
129.06992	10.6
131.08545	12.5
133.06512	2.6
133.10147	17.0
133.30821	1.5
135.11707	18.3
137.09613	12.3
139.11127	1.8
145.10115	6.2
147.08040	3.9
147.11684	16.7
149.09593	5.3
149.13269	1.8
153.12727	1.5
155.10675	3.6
157.10126	15.9
159.11699	1.4
163.11169	3.6
165.12811	3.0
173.11745	8.4
175.11186	14.8
180.41435	1.5
181.12198	3.9
184.07339	100.0
193.12231	34.1
194.52837	1.3
211.13297	38.6
229.14354	5.2
238.23599	1.5
243.16132	2.1
249.14751	2.1
255.15956	11.1
255.83415	1.5
267.15866	21.4
269.17416	5.0
285.16965	23.4
286.17331	1.5
287.18536	21.4
314.63721	1.2
342.19748	1.5
395.28799	1.5
403.24744	2.8
421.25836	31.0
429.26147	3.0
439.26898	80.5
440.27185	3.7
447.27417	33.8
448.27588	2.0
453.28381	14.5
461.29019	10.4
465.28476	55.7
466.28876	2.6
472.30225	1.8
479.29846	6.0
497.31030	52.2
609.32477	1.8
641.35175	2.0
644.35352	10.3
705.57776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84392	0.1
55.01878	0.2
55.05507	0.5
56.05037	0.4
57.03439	0.3
58.06581	1.1
59.07367	0.7
60.08165	5.4
63.41949	0.1
67.05506	0.7
69.03436	0.2
69.07065	0.2
69.84611	0.6
71.04994	0.2
71.07375	2.8
73.51411	0.1
79.05500	0.6
81.03421	0.9
81.07051	0.7
83.04975	0.4
83.08614	0.4
85.02898	0.4
86.09708	27.6
87.10033	0.2
91.05479	0.9
93.07059	0.7
95.04967	0.3
95.08598	0.4
97.06517	0.1
98.20734	0.2
98.21332	0.3
98.98460	2.4
104.10741	2.3
105.07022	0.6
107.08588	0.4
109.06521	0.1
109.10181	0.2
111.08077	0.1
119.08581	0.5
121.06486	0.2
121.10151	0.8
123.08050	0.1
125.00006	18.6
129.06955	0.2
131.08604	0.3
133.10152	0.4
143.01074	0.2
147.04469	0.1
147.11684	0.3
149.09644	0.4
157.10143	0.2
159.01468	0.1
167.10675	0.2
175.11249	0.3
176.30551	0.1
178.04938	0.1
184.07346	100.0
185.07700	0.6
193.12198	0.7
211.13341	0.6
222.08920	0.9
224.10553	0.4
226.08243	0.1
267.15891	0.4
282.11075	0.2
285.17050	0.5
287.14960	0.5
354.13052	0.1
453.29251	0.1
461.29190	0.2
491.22845	0.2
497.27734	0.7
509.24310	0.3
522.24408	0.2
694.35626	6.5
695.35773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15022	0.2
53.03927	0.5
55.01849	0.7
55.05513	1.7
56.05022	0.6
57.03446	1.5
58.06607	0.4
59.10847	0.2
60.07883	0.4
60.08166	5.8
61.02914	0.5
67.05502	6.2
69.03413	0.8
69.07069	1.4
71.04994	1.3
71.07372	3.4
79.05496	3.6
81.03423	4.2
81.07054	5.7
82.84705	0.2
83.04981	1.7
83.08630	2.0
85.02901	1.4
85.06557	0.5
86.09705	28.9
87.09999	0.3
91.05476	4.3
93.07037	4.3
94.07358	0.2
95.04961	2.2
95.08613	1.7
97.02882	0.5
97.06516	1.1
97.10164	0.4
98.21377	1.0
98.98470	2.5
99.04422	0.4
104.10741	2.0
105.07026	2.9
107.04951	0.8
107.08615	2.5
109.02911	0.3
109.06501	0.8
109.10158	4.5
111.08073	0.8
113.05990	0.3
117.07004	0.7
119.08575	1.8
121.06535	0.3
121.10120	1.2
123.08005	0.4
123.11678	0.7
123.80187	0.3
125.00004	20.3
125.09623	0.5
129.05470	0.6
129.07004	0.6
131.08563	1.1
133.06520	0.3
133.10127	3.9
135.08121	0.4
135.11696	1.0
137.09613	0.6
143.08534	0.3
145.10107	0.7
147.08017	0.4
147.11659	1.1
149.13234	0.7
151.11191	1.3
152.27699	0.2
157.10121	0.8
159.11618	0.4
160.83267	0.2
163.11140	0.6
169.12305	0.4
175.11153	0.9
176.21581	0.2
178.04979	0.5
181.03055	0.2
181.12218	0.3
184.07339	100.0
185.07674	0.6
185.51538	0.2
193.12227	1.5
195.13823	0.3
211.13289	1.2
227.12727	0.3
247.18398	0.2
253.14357	5.0
255.15878	1.0
267.15851	3.2
269.17520	1.4
271.15396	0.9
283.15485	0.4
285.17004	1.6
287.18533	0.7
301.16467	1.4
380.62561	0.3
421.25748	0.8
439.26956	2.1
447.27286	2.0
453.28070	0.7
461.28912	2.7
463.26990	0.3
465.28473	2.3
479.30115	2.9
497.27661	2.6
498.27811	0.3
531.34186	0.3
644.35553	10.3
645.34778	0.4
695.32794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09819	1.0
53.03934	3.7
55.01867	4.4
55.05517	18.0
57.03439	11.1
57.07065	2.6
59.04992	1.8
61.02932	5.4
65.03931	4.6
66.57455	0.9
67.05508	81.0
69.03410	2.8
69.06732	1.4
69.07071	16.1
71.02666	1.7
71.04998	16.4
73.02908	1.3
75.55453	0.9
79.05497	34.0
81.03428	6.6
81.07059	100.0
83.04987	8.0
83.08624	15.7
85.02894	6.3
85.06545	9.3
87.04465	1.7
91.05486	26.7
93.07045	45.8
95.04994	5.8
95.08611	18.1
97.02899	4.9
97.06532	9.8
97.10146	3.6
99.08090	2.6
104.32014	1.0
105.07030	10.6
107.04939	2.7
107.08598	25.9
109.02921	1.0
109.06580	1.9
109.10163	19.0
109.10890	1.4
111.04451	1.0
111.08057	5.4
117.07018	8.5
119.08573	5.1
121.06482	1.6
121.10149	16.1
123.08058	1.2
123.11725	8.1
125.09618	4.2
129.05470	1.8
129.07024	1.1
131.08577	8.7
133.10136	12.9
135.11703	8.0
137.09579	1.2
145.10129	2.4
147.08113	1.0
147.11690	1.6
149.09651	1.0
149.13266	23.9
151.11185	4.3
153.12662	1.3
155.10677	1.4
159.11700	11.7
163.11200	2.4
173.11745	5.2
177.12740	4.0
183.13869	1.2
184.95836	1.0
187.13208	2.6
193.12247	1.7
195.13774	12.3
199.13310	2.4
209.11870	1.7
211.13232	1.5
213.14821	1.7
227.12837	2.4
229.14381	17.0
267.15817	3.3
269.17471	39.1
301.16415	4.5
301.20078	8.5
323.19153	1.1
411.27386	2.0
423.27484	14.3
437.22992	2.3
437.28973	42.7
451.30551	8.1
463.30563	98.3
464.30817	3.9
495.33966	25.1
496.32837	1.7
513.30554	5.0
607.34241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91143	0.1
55.01881	0.1
55.05496	0.2
56.05032	0.7
57.10002	0.1
58.06326	0.2
58.06627	0.5
60.08165	5.8
66.46895	0.1
67.05495	0.5
69.03441	0.1
69.07059	0.3
69.61472	0.9
71.07373	3.4
71.08606	0.2
79.05482	0.3
81.03409	0.2
81.07040	0.5
83.08611	0.2
85.10184	0.2
86.09706	30.0
91.05457	0.3
93.07054	0.3
95.04962	0.1
95.08582	0.2
98.21143	0.5
98.98462	3.1
102.41353	0.1
104.10746	2.2
105.07014	0.3
107.08591	0.1
107.32059	0.1
109.10158	0.2
114.30112	0.1
125.00004	19.5
133.10123	0.3
137.61713	0.1
165.51227	0.1
168.07379	0.1
184.07341	100.0
185.07678	0.6
186.18684	0.1
259.78604	0.1
289.04190	0.1
316.70963	0.1
324.47482	0.1
496.34189	0.2
520.37213	0.3
521.38489	0.3
571.46411	0.2
640.47949	0.1
692.44977	5.1
693.45093	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	693.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.8
53.03945	1.9
53.41623	0.8
55.01881	3.9
55.05513	28.9
55.18561	0.7
57.03432	5.2
57.07080	7.0
60.08168	1.0
60.10075	0.8
65.03920	1.1
67.05172	1.0
67.05508	16.8
69.03419	2.0
69.07069	31.2
69.35770	5.2
69.36185	1.9
71.04981	1.7
71.08626	6.2
73.02899	1.2
79.05492	19.3
80.22500	0.7
81.03414	19.5
81.07056	21.4
83.04974	8.2
83.08136	1.7
83.08618	27.9
85.02900	10.3
85.06581	0.8
85.10168	1.9
86.09711	6.0
91.05482	26.5
93.07048	12.5
95.04971	11.4
95.08607	10.1
97.02843	1.2
97.06530	3.9
97.10173	16.8
98.20689	1.3
98.21403	2.6
98.98473	5.4
99.08062	1.1
105.07025	16.2
105.07683	1.7
107.04941	3.0
107.08597	6.6
109.06505	3.7
109.10145	2.4
111.04414	1.1
111.08064	4.5
111.11726	3.5
113.05984	1.1
115.05447	1.6
117.07004	2.4
119.04930	0.8
119.08576	14.1
121.06529	1.3
121.10158	5.8
123.08060	2.1
123.11720	2.2
124.99990	5.5
125.09641	0.9
125.13246	1.1
128.06204	1.1
129.06996	6.2
131.08571	5.8
133.06517	1.0
133.10123	8.2
135.08107	1.0
135.11659	2.9
137.09564	1.5
139.03871	1.0
142.07753	1.8
143.08542	1.4
145.10110	2.6
147.08020	2.1
147.11705	8.0
149.09586	2.9
153.05460	1.1
155.00999	1.6
155.06998	0.8
157.10129	6.6
159.11679	1.8
163.11153	1.2
165.12761	1.5
167.07040	1.2
173.13176	1.0
175.11151	5.7
179.07156	1.0
181.04997	1.5
184.07353	21.3
185.07680	3.4
186.16814	0.8
191.06998	1.5
193.12260	15.0
205.08548	1.3
211.13293	15.5
231.10112	1.1
237.22098	6.5
249.14932	1.8
255.82581	0.9
260.33340	0.9
267.15952	4.7
285.16913	1.2
311.25778	5.9
409.23676	0.9
427.24710	1.1
463.65778	0.9
472.87564	0.9
503.37299	10.2
521.38354	100.0
522.38983	5.3
571.76257	0.9
693.44806	1.6
694.21259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00645	2.0
53.03943	7.9
55.01873	15.0
55.05518	39.5
57.03436	27.5
57.07077	4.3
61.02914	7.3
63.13515	2.0
65.03954	2.7
67.05507	93.1
69.03426	7.1
69.07066	23.3
71.04999	6.5
73.02910	8.2
77.03906	2.4
79.05495	66.4
79.10497	2.3
81.03419	29.5
81.07058	100.0
82.04193	4.0
83.04975	19.2
83.08627	26.8
85.02905	10.6
85.06555	5.9
91.05483	41.1
93.07049	71.4
95.04967	17.0
95.08608	26.7
97.02919	11.2
97.06539	15.4
97.10173	16.7
98.07330	6.6
98.21227	16.3
99.08097	3.3
105.07051	19.3
107.04961	8.5
107.08604	42.3
109.06522	4.2
109.10140	17.5
110.07291	2.4
111.04425	3.4
111.08104	12.0
116.04713	10.1
117.07015	16.1
119.08582	13.1
121.06528	3.9
121.10162	16.7
123.08090	5.8
123.11704	7.9
125.09626	16.5
127.03909	2.6
129.05492	34.2
129.06987	4.4
131.08566	17.4
133.10144	20.9
135.08029	4.9
135.11726	15.2
137.09627	3.3
139.07729	2.2
143.07051	5.5
145.10135	7.3
147.07983	2.4
147.11681	6.0
149.09604	2.9
149.13286	25.1
151.11172	2.9
152.29848	2.1
153.09145	2.8
153.12787	2.7
155.10687	2.7
157.08612	13.3
157.10010	5.0
159.11702	10.5
163.11208	8.8
165.12709	2.5
171.06581	3.4
171.10133	5.0
173.09703	2.2
173.11780	5.0
175.11212	5.3
177.12766	6.8
181.12289	2.8
189.11234	6.9
193.12260	4.0
195.13828	24.9
199.13277	16.2
209.11703	10.5
211.13371	5.8
213.14886	4.5
227.12695	11.5
229.14388	3.6
265.14346	4.4
267.16129	10.4
269.17490	85.4
270.17737	2.5
283.15408	11.7
285.16870	2.9
301.16428	57.1
323.18460	4.1
336.44843	2.2
393.26413	5.5
411.27423	13.4
423.27463	30.6
461.28894	4.4
477.28531	15.4
478.28741	3.5
495.29529	94.7
543.22968	2.5
639.33246	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01876	3.8
55.05513	12.2
57.03439	13.8
57.07080	1.6
61.02926	1.3
67.05161	2.1
67.05509	25.0
69.03432	4.3
69.07081	6.2
71.04991	3.7
71.57380	1.3
79.05493	22.9
81.03422	78.9
81.07066	25.7
82.03722	1.3
83.04983	11.1
83.08621	22.0
85.02914	11.7
85.06552	2.1
86.09711	3.7
91.05482	29.9
93.07050	17.1
95.04977	25.2
95.08610	10.7
97.02898	4.0
97.06547	3.5
97.10191	5.0
98.88400	1.1
103.05450	1.1
105.07037	23.2
107.04967	8.4
107.08606	10.8
109.02873	1.3
109.06507	5.6
109.10159	5.5
111.04440	2.7
111.08092	8.5
113.05985	1.5
115.05452	1.7
117.07006	3.1
117.92885	1.0
119.04939	1.1
119.08585	18.5
121.06528	4.9
121.10164	11.9
123.04459	2.5
123.08080	4.2
123.11721	2.7
125.00011	3.2
125.09618	3.5
125.74830	1.2
127.03947	2.0
129.07014	12.5
131.04866	1.7
131.08565	14.0
133.06508	4.8
133.10138	11.0
135.08067	1.9
135.11728	2.0
137.06015	2.6
137.09619	2.5
142.07779	3.5
143.08575	1.9
144.23685	1.0
145.06471	5.5
145.10133	3.6
147.04395	1.9
147.08076	3.8
147.11699	12.1
149.05980	1.5
149.09622	7.9
153.01855	8.1
153.09137	1.4
155.08545	1.4
157.06467	1.0
157.10139	13.6
159.11661	2.6
161.09700	1.4
163.11208	1.6
165.12787	3.0
167.07071	13.3
175.11180	10.8
178.05054	1.7
184.07385	11.6
189.11287	1.5
193.12257	32.6
195.11699	1.3
205.12236	1.3
211.13304	19.8
217.08806	1.2
220.34892	1.0
249.14825	2.0
255.13820	2.2
259.15613	1.2
267.15927	100.0
273.14780	2.1
285.16971	19.1
341.20959	1.3
349.21655	2.3
349.70245	1.1
367.22626	10.0
368.23352	1.4
385.23770	12.1
403.24866	4.9
415.24539	1.7
433.25949	9.9
441.26346	6.6
459.27435	67.4
460.27710	2.6
477.28488	49.0
478.28653	1.4
495.29745	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01875	2.1
55.05515	12.9
57.03439	11.1
61.02928	2.4
61.43959	1.0
67.05515	17.0
69.03432	4.1
69.07068	5.1
71.05007	5.4
79.05504	19.7
81.03423	64.8
81.07063	23.3
83.04987	15.7
83.08627	26.6
85.02910	23.1
85.06532	1.1
86.09725	2.3
91.05489	24.7
93.07043	11.9
95.04976	27.9
95.08627	7.9
97.02879	4.3
97.06522	5.0
97.10165	5.9
98.21124	5.4
99.08106	1.5
105.07042	21.9
106.73879	1.0
107.04951	6.2
107.08574	5.6
109.06528	4.7
109.10134	1.9
111.04412	3.5
111.08086	10.1
113.05984	2.2
115.05438	1.2
117.07038	1.9
119.08591	17.0
121.06462	1.6
121.10146	9.1
123.08019	1.4
123.11663	1.4
124.99999	1.4
125.09588	1.6
129.06998	11.0
131.08572	11.9
133.06499	3.1
133.10146	10.6
135.11649	1.2
137.09605	2.1
142.07730	1.7
145.10127	1.5
146.36638	1.0
147.08038	2.9
147.11697	16.3
149.09631	7.1
151.11121	1.0
157.10143	15.2
165.12732	3.3
175.11194	17.9
184.07359	7.0
193.12263	52.2
194.12634	1.3
211.13309	74.8
212.13605	1.3
224.34781	1.0
250.50101	1.0
267.15933	30.4
285.16977	75.2
286.17368	1.6
328.98993	1.2
367.22754	4.0
385.23703	4.4
415.00797	1.1
433.25665	1.1
459.27457	27.0
477.28510	34.1
478.28653	2.2
495.29556	100.0
496.29871	5.0
607.38025	1.2
639.34290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01869	6.4
55.05265	2.2
55.05515	35.4
57.03431	20.2
57.07073	2.9
59.04989	4.0
61.02929	5.9
65.03931	4.3
67.05506	100.0
69.03420	4.0
69.07065	19.8
69.59241	1.8
69.59650	6.9
71.01363	2.2
71.04988	5.7
73.02898	3.9
79.05495	42.4
81.03426	16.6
81.07059	77.1
83.01330	1.5
83.04971	11.8
83.08622	22.0
85.02910	18.5
85.06541	5.7
87.04460	5.8
91.03951	2.5
91.05482	30.4
93.07050	40.9
95.04966	11.5
95.08607	24.7
97.02903	7.6
97.06532	11.5
97.10170	16.1
98.20803	3.0
98.21444	2.7
99.04437	2.1
99.08125	2.5
103.03909	2.3
105.07024	13.3
107.04941	4.3
107.08596	25.7
109.06516	3.7
109.10158	55.7
111.04454	1.9
111.08060	7.8
117.07030	8.4
119.08584	12.4
121.06495	5.0
121.10141	10.8
123.08042	2.0
123.11665	2.5
125.09623	14.2
127.03890	1.5
129.05452	5.0
129.07028	2.5
131.08574	8.4
133.06461	1.7
133.10138	12.3
135.08032	2.4
135.11673	11.7
137.09602	3.2
143.10640	2.8
145.10126	3.7
147.11681	4.9
149.09618	2.0
149.13263	12.2
151.11188	1.6
153.12697	3.7
155.10625	3.8
156.31323	1.3
156.72151	1.4
157.10094	2.1
159.11655	7.7
163.11209	10.0
165.12839	2.1
173.11711	14.1
175.11200	1.9
177.12682	3.3
181.12241	2.1
191.10590	3.1
193.12288	3.6
195.13817	16.3
199.13321	8.0
209.11719	7.7
211.13336	2.5
227.12743	7.3
229.14343	48.5
239.16464	3.1
257.13898	1.9
267.15823	10.2
269.17484	61.8
283.15402	6.0
285.16928	1.8
297.17105	1.7
301.16479	18.9
301.19669	2.3
313.16415	2.5
323.18375	1.5
393.26370	1.7
411.27362	6.2
423.27469	35.5
477.28406	1.6
495.29535	58.0
496.29739	2.6
513.30615	24.4
544.52521	1.4
609.20062	1.2
707.03351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52319	1.2
54.48491	1.5
55.01868	4.8
55.05513	21.3
57.03441	15.7
61.02926	2.1
64.23862	1.3
67.05508	25.5
69.03430	6.0
69.07071	7.9
69.56437	8.0
70.19836	1.5
71.05011	6.9
79.05502	30.3
81.03423	87.5
81.07063	34.5
81.71471	1.4
83.04988	16.4
83.08627	27.8
85.02908	36.0
86.92804	1.5
91.05486	40.4
93.07049	22.7
95.04974	33.7
95.08620	10.8
95.19979	1.5
97.02907	4.5
97.06530	4.3
97.10169	4.5
97.73079	1.3
98.20878	3.1
98.21470	2.8
101.32401	2.0
105.04546	1.7
105.07040	29.3
107.04926	8.5
107.08597	9.2
109.06529	5.4
109.10163	2.9
111.04444	3.6
111.08085	12.2
113.06015	3.5
117.07009	2.5
119.08590	25.7
121.06506	2.0
121.10150	10.1
123.08086	2.9
125.09673	1.6
129.07021	13.8
131.08572	13.5
131.27702	1.5
133.06528	3.8
133.10141	13.9
137.09612	2.9
142.07774	3.1
145.10141	2.3
147.08057	3.4
147.11697	18.6
149.09633	7.8
157.10149	16.9
165.12764	3.6
175.11159	19.1
193.12260	66.9
194.14777	1.8
208.22441	1.4
211.13309	100.0
244.16504	1.6
249.14966	2.3
255.54230	1.3
267.15933	40.1
285.16986	83.2
286.17297	2.7
367.22629	2.5
385.23758	4.2
459.27374	20.5
477.28534	25.5
495.29547	63.0
496.30289	2.1
617.68573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01876	16.5
55.05512	30.5
56.64378	2.0
57.03437	26.6
57.07066	3.0
59.05000	3.9
61.02937	10.6
61.14436	1.9
63.83781	2.1
65.03930	2.1
67.05508	84.8
69.03427	8.0
69.07071	22.8
70.76124	5.5
71.04984	7.7
73.02921	7.5
79.05496	56.0
81.03424	20.0
81.07059	90.3
82.04200	3.9
83.04984	19.0
83.08621	21.3
85.02907	10.5
85.06548	5.4
86.02893	1.8
86.09721	3.3
91.03942	3.0
91.05489	41.0
93.07046	64.2
95.04976	18.2
95.08609	31.7
97.02898	8.3
97.06545	14.8
97.10161	13.8
98.07318	6.9
98.21095	2.8
99.04506	2.8
99.08117	3.0
99.86859	1.9
105.07040	18.7
107.04961	9.6
107.08605	38.1
109.02888	3.9
109.06531	4.8
109.10159	16.6
111.08098	9.5
116.04718	9.1
117.06996	13.6
117.65041	2.3
119.08624	13.1
121.06496	2.3
121.10140	21.8
123.08067	5.0
123.11720	4.8
125.09667	14.7
127.03938	3.0
129.05484	22.8
129.07039	5.8
131.08601	16.4
133.10136	17.9
135.08102	5.0
135.11693	13.1
137.09612	5.2
143.07013	2.6
143.10725	2.3
145.10114	3.8
147.11691	7.1
148.12497	2.3
149.09612	3.9
149.13254	25.9
153.09140	2.7
153.12773	3.1
157.08620	12.6
157.10004	3.2
158.05748	2.9
159.11711	15.2
160.06590	2.2
162.47307	2.1
163.11192	9.7
165.12686	3.6
171.06523	2.6
171.10167	4.4
173.09540	2.7
173.11743	5.0
175.11108	3.8
177.12761	8.1
181.12091	2.4
184.07346	6.7
189.11267	4.7
193.12267	5.5
195.13817	15.6
199.13316	18.4
200.14047	2.9
209.11778	9.4
210.12437	2.3
211.13301	3.4
213.14909	3.1
227.12814	10.6
229.14241	4.3
242.05779	2.0
267.15921	8.3
269.17493	78.7
283.15488	12.8
285.16956	3.1
301.16473	59.8
323.18695	2.5
326.10620	2.2
393.26266	5.3
411.27444	10.5
413.21536	2.5
423.27304	22.9
459.27609	3.8
461.29062	6.3
477.28625	17.8
478.29062	7.4
495.29532	100.0
496.29761	4.3
621.32977	3.3
633.38318	2.3
639.33630	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	690.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05026	0.6
56.07468	0.1
57.07070	0.4
58.06620	0.5
60.08168	7.0
63.11200	0.1
67.05496	0.4
69.07055	0.3
70.06570	0.2
71.07379	3.5
71.08654	0.2
71.57949	0.2
79.05486	0.2
81.07036	0.5
83.08643	0.1
86.09710	32.6
87.10067	0.1
91.05492	0.2
93.07081	0.2
95.08615	0.2
98.98467	3.5
104.10059	0.2
104.10749	2.9
105.07013	0.2
114.56488	0.1
121.10159	0.2
125.00011	21.2
181.04865	0.1
184.07350	100.0
185.07669	0.5
284.18320	0.1
375.45990	0.2
453.84451	0.1
519.36798	0.3
617.88599	0.1
690.22778	0.2
690.47076	6.1
691.47485	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	690.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01860	1.2
55.05514	8.0
55.49743	0.7
57.03183	1.0
57.03442	15.5
57.07080	21.7
57.58417	0.7
60.08176	0.7
61.02913	2.7
65.03938	1.0
67.05509	29.3
67.05871	1.7
69.03412	1.2
69.06721	0.8
69.07072	10.8
69.35409	6.8
71.01350	1.8
71.04990	2.1
71.08278	1.0
71.08641	16.1
73.02954	0.8
77.01576	0.7
79.05058	1.5
79.05502	23.5
81.03426	3.8
81.07063	19.1
83.04987	6.9
83.08621	7.2
85.02892	3.0
85.06528	1.9
85.10190	9.8
86.09692	2.3
89.06025	1.1
91.05480	8.3
93.07053	28.5
95.04973	2.4
95.08038	1.2
95.08611	15.5
96.56999	0.7
97.02881	2.0
97.06530	7.3
97.10176	9.5
98.21353	2.4
99.08105	1.3
101.17895	0.7
105.07033	2.2
107.04959	1.1
107.08598	17.3
109.06516	0.9
109.10171	6.5
111.08064	1.2
111.11713	1.3
113.39311	0.7
117.07034	2.9
119.08610	3.5
121.06619	0.7
121.10151	4.4
123.11719	2.0
125.00000	2.1
125.09657	1.0
133.10103	2.2
135.11700	36.6
137.09622	1.4
145.10165	7.1
147.41931	0.8
163.11205	4.5
181.12248	9.5
184.07347	8.5
217.51390	0.7
239.23703	1.3
255.15933	100.0
256.16287	2.4
257.24854	1.1
258.19299	0.7
313.27374	48.5
314.27652	1.8
346.59506	0.8
471.38190	0.7
493.38919	74.8
494.39368	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01867	6.6
55.05259	2.4
55.05514	32.0
57.03433	18.8
57.07074	2.6
59.05013	1.7
60.12544	1.5
61.02923	7.2
64.79239	1.4
65.03949	3.6
67.05508	100.0
69.03420	2.4
69.07071	18.8
69.85403	7.3
71.01376	1.9
71.05008	5.7
72.63345	1.3
73.02924	4.1
73.99365	1.2
78.93885	1.3
79.05496	40.8
81.03417	13.0
81.07061	75.6
82.98602	1.4
83.04989	10.8
83.08620	19.4
85.02905	15.8
85.06541	4.5
87.04488	4.6
91.03992	1.5
91.04954	0.8
91.05479	27.3
93.07050	47.7
95.04966	7.5
95.08617	20.0
97.02905	7.2
97.06529	9.9
97.10175	12.5
98.20827	2.7
98.21415	2.6
99.08102	3.5
105.07044	12.4
107.04953	4.3
107.08604	28.8
109.06543	2.5
109.10159	48.4
111.04487	2.3
111.08092	5.3
115.05467	1.3
117.07017	9.3
119.08580	8.0
120.21570	1.2
121.06519	3.9
121.10152	10.7
123.08075	2.7
123.11722	4.7
125.09643	17.6
127.03925	2.4
129.05521	5.3
131.08609	6.1
133.10121	11.9
135.11707	12.6
137.09602	3.8
145.10117	3.8
147.11717	3.6
149.09689	1.6
149.13278	11.6
151.11272	1.5
153.12810	3.8
155.10652	3.3
159.11699	8.8
163.11183	7.2
165.12785	1.4
173.11775	11.8
177.12753	6.4
181.12241	2.2
191.10724	1.7
193.12270	4.0
195.13818	19.3
199.13367	6.4
209.11760	7.7
213.14919	1.4
227.12782	6.2
229.14365	42.3
239.16464	2.6
257.13849	4.9
258.33749	1.4
267.15942	7.0
269.17490	66.4
270.17889	2.1
283.15408	4.8
297.17108	1.5
301.16385	15.3
393.26349	3.0
405.97778	1.5
411.27271	6.3
423.27423	34.1
477.28256	3.3
495.29541	64.2
496.29840	2.9
513.30493	22.6
541.98230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
52.07592	0.4
52.70475	0.4
53.03933	1.3
55.01857	0.5
55.05505	2.1
57.03428	1.0
57.07062	0.6
58.88121	0.4
67.05508	3.5
69.03426	3.4
69.07069	7.1
71.04984	1.3
71.58057	0.5
73.11449	0.4
79.01849	1.7
79.05496	4.5
81.03417	5.3
81.07056	9.6
82.87316	0.4
83.04980	1.0
83.08627	0.9
83.84979	0.4
85.02899	4.1
85.06544	0.9
91.05476	2.4
93.07049	13.4
95.04964	2.4
95.08607	11.5
96.08932	0.5
97.02879	2.4
97.06541	1.3
97.10177	0.5
98.21233	0.4
99.04447	1.3
99.08068	0.6
102.43913	0.4
105.07034	4.1
106.72711	0.4
107.01320	1.2
107.04952	0.9
107.08602	4.0
109.02877	4.5
109.06518	1.7
109.10155	6.3
111.04457	0.4
111.08080	1.0
111.11736	1.4
117.07000	0.4
119.08579	1.9
121.06488	0.9
121.10148	12.9
122.10410	0.5
123.04412	0.4
123.08057	1.7
123.11707	2.1
125.02359	2.1
125.09637	1.7
127.03913	7.7
130.14949	0.4
131.04961	0.4
131.08563	1.7
133.10133	1.3
135.11697	1.1
137.05925	0.6
137.09581	1.4
137.13219	0.8
139.11182	3.7
143.03413	4.1
143.08582	0.5
145.10101	1.0
147.04410	0.5
147.11691	0.7
149.09589	2.1
149.13223	0.6
151.03958	0.6
151.07541	3.9
153.01831	100.0
154.02161	0.9
155.10696	0.9
159.11684	0.7
161.09654	1.4
161.13200	0.5
163.11159	0.8
165.09207	0.5
165.12671	0.5
167.07040	1.5
167.10667	8.1
171.02882	12.5
177.05447	0.9
177.09167	0.5
178.05013	1.4
179.10713	0.8
181.12274	0.7
185.11746	0.8
189.09077	0.6
190.77420	0.5
191.10728	0.9
246.35455	0.4
269.22668	0.6
279.05081	0.9
287.23743	1.3
293.24933	0.5
297.06122	4.9
303.04950	1.9
305.24658	4.4
315.07086	33.1
316.07291	0.5
323.25806	19.3
324.26025	1.0
334.02875	0.6
393.02087	0.5
419.76898	0.5
475.30222	0.6
517.36896	0.5
528.12006	0.9
596.25934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00329	2.1
51.02387	2.2
53.03948	14.5
55.01862	6.9
55.05515	32.9
57.03443	11.3
57.07073	3.8
64.28279	2.3
65.03930	6.8
67.05507	78.4
68.02640	1.8
69.03077	2.2
69.03433	29.0
69.07066	22.8
69.49690	12.7
69.50115	3.8
71.01350	2.5
71.04991	9.8
73.02932	2.4
79.05493	75.8
81.03418	100.0
81.07058	76.1
83.04984	20.4
83.08625	22.0
85.02903	17.2
85.06552	4.2
86.09706	5.8
87.31229	1.8
91.05482	67.5
93.07048	65.9
93.98484	1.9
95.04974	29.2
95.08048	2.8
95.08614	47.3
97.02882	21.1
97.06520	10.3
97.10165	7.5
98.20883	4.3
99.04451	8.6
102.44612	2.0
105.06374	3.6
105.07036	47.6
107.04946	12.1
107.08598	34.7
109.02859	16.1
109.06530	12.1
109.10155	19.0
111.04454	9.5
111.08093	11.4
113.06042	2.1
115.05470	4.1
117.07027	24.9
119.08576	37.3
121.06511	7.7
121.10138	25.4
123.04440	3.9
123.08082	4.8
123.11701	5.5
125.00045	2.3
125.09628	7.2
127.03918	9.8
128.06248	4.4
129.05501	3.7
129.07025	22.3
131.04945	3.3
131.08566	30.0
133.06494	5.8
133.10138	24.9
135.08078	6.7
135.11729	14.1
137.09624	4.5
141.07034	4.6
141.12442	1.7
142.07756	6.0
143.08530	13.5
144.05733	2.2
145.06467	5.1
145.10118	23.5
147.04442	4.0
147.08069	6.1
147.11670	22.8
149.09624	7.6
149.13269	6.8
151.11195	2.4
153.12766	4.2
154.07756	2.8
155.08505	9.0
157.10126	16.4
159.08055	5.4
159.11697	15.5
161.05956	2.7
161.09575	3.6
161.13245	6.5
163.11220	6.3
163.14832	2.9
165.07092	2.2
165.12740	5.9
167.08568	3.2
169.10124	6.8
171.08092	2.8
171.11720	7.7
173.04475	7.4
173.09584	2.8
173.13248	8.4
175.11247	10.1
175.14827	3.8
177.12628	2.3
181.10135	3.9
183.11679	6.5
184.07324	17.5
185.09631	3.8
185.13266	8.0
187.11227	3.5
187.14787	4.7
189.12679	2.4
191.10680	3.8
193.10406	2.8
193.12250	38.5
195.11754	4.5
197.13258	4.3
199.11185	2.3
199.14893	2.5
207.13908	3.2
209.13310	4.7
211.13264	52.2
211.15178	3.6
221.13187	2.8
225.16510	2.4
227.12671	4.9
229.14345	3.3
243.21046	2.8
249.14807	3.4
259.20544	3.0
261.22150	4.0
267.15976	13.2
273.14807	3.6
273.18469	2.6
273.22083	1.8
275.20309	2.1
285.17029	10.7
285.21994	3.0
301.14362	2.7
301.21603	6.6
313.16580	1.9
317.24692	3.9
335.25983	13.1
337.16486	4.8
341.24835	3.8
351.23105	5.2
355.17661	4.5
363.25003	1.9
369.24243	9.5
387.25284	2.9
411.20105	6.4
435.32336	2.6
438.22467	2.6
443.27777	3.3
461.28970	7.0
475.19901	2.7
509.36475	2.2
518.41138	2.1
525.34277	2.6
527.37317	23.1
528.37170	3.1
545.38245	7.0
579.36505	2.5
615.39642	2.3
635.39240	4.3
653.40527	11.0
671.41351	13.4
689.42578	61.7
690.43060	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	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01857	2.9
55.05510	11.3
57.03437	11.3
61.02913	1.5
65.03948	1.0
67.05167	1.3
67.05504	20.1
69.03420	2.7
69.07066	7.1
70.11015	2.2
70.11414	1.8
71.04975	3.1
73.02882	1.4
73.77122	1.0
79.05061	1.6
79.05494	27.0
81.03417	33.4
81.07059	25.1
83.04987	9.1
83.08615	16.8
85.02902	16.2
85.06504	1.4
91.05482	20.4
93.07042	32.7
95.04971	18.8
95.08607	27.1
95.09224	1.2
97.02894	4.4
97.06514	4.8
97.10155	2.4
98.21190	2.3
99.04445	3.8
105.07034	14.2
107.04961	9.5
107.08596	20.7
109.06504	3.4
109.10183	4.0
111.04359	1.9
111.08064	4.3
113.05992	1.7
117.07008	5.7
119.08581	15.2
121.06496	3.2
121.10138	14.5
123.08051	2.1
125.05975	2.4
129.07014	5.6
131.08578	6.9
133.06454	1.1
133.10117	8.6
135.08029	1.2
135.11691	31.2
137.09546	1.1
139.07503	1.1
142.07809	1.0
145.09018	1.6
145.10126	20.4
147.08011	1.9
147.11687	7.5
149.09615	3.8
153.12782	1.1
157.10126	8.2
163.11180	44.5
165.12753	1.7
173.09637	1.1
175.11188	6.3
181.12207	7.1
181.82306	0.8
193.12234	24.6
209.11690	2.8
211.13293	32.0
227.12781	60.3
260.66040	0.8
265.14252	1.0
267.15933	27.4
283.15393	63.3
285.16956	50.5
286.17245	1.5
287.13217	1.0
311.04703	1.0
315.25125	0.8
370.76382	1.0
374.18573	0.9
440.03354	1.0
475.26920	27.0
476.27261	1.1
493.27945	100.0
494.28583	4.3
618.30927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45603	0.7
53.03935	2.8
55.01871	5.1
55.05511	14.8
57.03438	11.2
57.07064	1.3
59.05005	1.6
61.02922	4.9
65.03949	0.9
67.05502	16.4
67.17036	0.7
69.03431	4.7
69.07071	4.8
71.04999	4.3
71.17233	1.6
73.02892	1.3
76.75424	0.7
79.05492	22.1
81.03415	40.1
81.07056	21.6
83.01343	4.2
83.04981	12.8
83.08611	17.4
85.02903	16.6
85.06506	1.5
91.03969	1.6
91.05478	22.3
93.07039	18.9
95.04962	15.4
95.08606	8.2
97.02910	5.3
97.06530	4.1
97.10166	2.8
99.04455	1.9
99.08105	0.8
103.05432	0.9
105.07027	18.8
107.04945	5.6
107.08595	9.2
109.02914	0.9
109.06512	4.5
109.10157	2.7
111.04433	2.5
111.08072	6.6
113.05979	1.6
115.05422	0.9
117.07039	4.7
119.08575	14.3
121.06512	2.5
121.10136	8.5
123.08067	6.1
125.06013	0.9
125.09632	2.7
129.07025	5.4
131.08551	6.1
133.06476	2.5
133.10120	6.9
135.08037	1.3
135.11697	7.5
137.09628	1.9
142.07762	1.6
145.10106	10.3
147.08017	2.2
147.11714	7.5
149.09604	2.5
153.12813	1.5
155.08551	1.1
157.10124	7.7
161.09590	0.9
163.11177	10.7
165.12790	0.9
173.09608	2.0
175.11194	8.7
181.12238	2.3
191.10683	2.1
193.12239	25.2
205.85207	0.8
209.11772	3.4
211.13290	47.5
212.13708	0.9
227.12762	3.0
267.15906	9.8
283.15393	54.7
284.15842	1.4
285.16949	34.6
286.17294	1.5
292.89523	0.8
383.22159	2.4
401.23132	1.2
457.25937	3.7
475.26877	14.7
476.26819	1.1
477.26678	0.8
493.27951	100.0
494.28354	4.3
613.62970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63028	3.0
51.02397	3.4
53.03940	15.9
55.01860	7.7
55.05508	32.8
57.03437	15.6
57.07071	2.7
59.04977	3.4
61.02915	11.4
65.03935	7.4
67.05172	5.7
67.05508	84.9
69.03426	24.2
69.07069	29.4
69.36325	25.7
71.04977	9.8
73.02902	9.4
77.74014	2.9
79.05497	69.7
81.03418	67.5
81.07058	100.0
83.05000	19.9
83.08616	19.9
85.02912	16.8
85.06525	4.6
91.03948	4.0
91.05481	71.7
93.07040	72.3
95.04986	23.1
95.08054	4.7
95.08612	53.4
95.65082	2.7
95.87040	2.5
97.02911	27.3
97.06516	9.9
97.10174	3.2
98.20711	5.8
99.04436	4.7
103.05447	4.4
105.06395	2.4
105.07028	67.4
107.04972	9.9
107.08588	41.3
108.29371	2.7
109.02862	11.5
109.06499	8.6
109.10159	18.8
111.04461	9.2
111.08034	4.8
113.09641	3.0
115.05427	4.6
117.07002	28.7
119.07779	4.7
119.08582	50.5
121.06490	7.2
121.10145	30.2
123.04422	5.0
123.08053	7.3
123.11708	10.3
125.09627	4.2
127.03920	10.1
128.06216	5.4
129.05466	4.1
129.07013	25.0
131.08557	40.6
133.06503	4.9
133.10141	34.9
135.08080	5.7
135.11693	15.5
137.09639	3.5
141.06982	8.7
142.07741	4.8
143.08553	31.0
144.28650	3.0
145.06500	6.7
145.10117	34.7
147.08092	6.4
147.11690	28.9
149.06052	3.0
149.09616	6.9
149.13252	12.5
151.11308	3.0
155.08618	16.6
157.06543	3.3
157.10147	22.6
159.08076	5.2
159.11697	28.4
161.09654	3.1
161.13268	11.0
163.11153	3.1
165.12733	9.5
167.08551	7.2
169.10124	16.6
171.08047	4.3
171.11667	24.5
173.09610	5.0
173.13245	14.5
177.12773	7.4
179.08571	2.9
181.10104	10.0
183.11647	18.6
185.09709	3.7
185.13263	13.0
187.14810	4.6
193.12157	3.0
195.11845	6.4
195.13809	9.9
197.13258	9.0
199.14793	8.7
201.12695	3.9
203.14268	3.8
207.11577	4.9
209.13277	8.0
211.13206	4.5
211.14986	4.7
213.16383	4.9
219.13785	3.1
221.13326	3.2
221.96071	3.6
223.14807	3.4
225.12581	3.2
225.16360	4.7
231.21207	3.6
235.11116	3.3
241.19623	5.3
259.20605	11.0
261.22214	7.2
267.15933	10.5
269.17447	13.5
275.20276	4.5
283.05417	3.1
285.16992	4.7
287.20157	4.3
291.19562	3.1
301.21555	4.7
325.21466	4.3
333.24191	12.7
335.25925	7.4
367.22806	7.2
411.19739	4.5
413.21576	5.6
417.31787	3.3
420.86618	3.2
435.32382	11.6
453.33545	4.1
491.35425	3.1
509.35980	7.1
515.36298	3.9
525.35974	3.7
527.37347	91.7
528.37457	4.7
543.36713	4.4
545.38434	7.3
569.38055	3.8
635.39777	14.1
653.40350	14.8
671.41522	21.0
672.40991	4.0
689.42560	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	2.4
51.02380	3.1
53.03944	13.1
55.01870	8.9
55.05514	27.6
56.12103	1.4
57.03441	12.5
57.07075	3.2
59.77230	1.5
61.02942	2.2
65.03932	6.0
67.05505	74.8
67.05873	3.5
69.03434	29.7
69.07073	18.2
71.04987	10.9
77.03934	2.6
79.05495	67.3
81.03421	100.0
81.07059	67.7
83.04979	24.9
83.05455	2.0
83.08627	20.8
85.02911	21.4
85.06567	4.6
91.05483	64.0
93.07045	62.8
95.04972	29.1
95.08611	40.6
97.02895	19.0
97.06519	7.3
97.10194	7.2
98.21276	9.7
99.04482	6.7
99.08125	2.8
103.05445	1.8
105.04513	2.0
105.07035	41.1
107.04961	7.3
107.08597	27.0
107.18837	1.5
109.02895	16.8
109.06525	9.2
109.10146	15.9
111.04462	10.3
111.08078	9.9
115.05444	3.6
117.07018	14.5
119.08583	34.4
121.06540	4.3
121.10143	26.1
123.04473	2.5
123.08068	4.0
123.11728	5.7
125.09615	3.4
127.03957	10.1
127.07525	1.9
128.06227	3.2
129.05519	2.7
129.07011	16.0
131.04909	1.8
131.08566	29.5
133.06509	4.8
133.10135	23.5
135.08063	3.9
135.11690	15.1
137.09674	3.4
141.07021	4.4
142.07791	4.3
143.08545	11.9
145.06541	2.8
145.10133	21.1
146.66196	1.5
147.08084	4.0
147.11700	25.8
149.09601	7.3
149.13266	6.7
153.06960	1.5
153.12769	2.7
155.08569	5.8
157.06596	1.7
157.10135	16.4
159.11700	13.3
161.06046	1.9
161.13260	4.5
163.11215	6.3
165.12814	6.1
169.10181	6.8
171.08116	2.5
171.11725	6.3
173.04509	5.6
173.09674	2.9
173.13326	6.2
175.11206	10.3
175.14812	2.1
177.12794	2.0
181.10164	4.4
181.12178	3.1
183.11754	3.5
185.13274	5.0
187.14835	3.3
189.12842	2.9
191.10672	2.6
193.12248	38.3
195.11736	2.8
197.13379	2.4
199.14850	2.9
201.12825	2.1
201.16420	2.5
209.13390	1.9
211.13281	54.1
213.12863	3.2
217.15608	1.6
223.14894	1.9
227.12878	4.9
229.14247	2.2
245.15402	1.8
255.13777	2.5
259.20657	2.7
261.22195	5.6
267.15829	8.8
273.14816	1.8
275.20300	1.8
285.17145	6.5
301.14368	2.8
301.21616	2.7
327.23370	2.1
335.25925	13.9
351.23309	3.1
355.17361	8.0
369.24313	6.7
387.25555	3.5
405.26654	2.6
411.20306	5.5
435.32712	1.7
443.27982	2.5
461.28979	3.4
527.37323	17.5
545.38226	11.7
561.37067	1.6
653.40582	6.9
671.41705	7.5
689.42578	72.2
690.43097	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	688.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
59.27547	0.5
60.08170	5.8
64.31098	0.5
70.57405	0.5
71.07374	3.2
81.07034	0.6
86.09706	29.7
98.20938	3.1
98.98461	2.7
104.10728	2.0
123.74382	0.5
125.00011	17.3
127.52619	0.5
143.01018	0.7
150.60869	0.5
184.07343	100.0
185.07643	0.8
267.18399	0.7
418.62933	0.6
688.45178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05514	1.5
57.03439	1.2
61.02930	2.9
61.59661	0.5
65.03942	0.5
67.05514	3.2
69.03449	2.9
69.03753	0.4
69.07069	1.1
73.02919	2.7
79.05499	8.0
81.03422	3.4
81.07066	5.1
82.03699	0.4
82.70816	0.4
83.04981	2.0
83.08626	0.8
85.02917	3.9
91.03966	2.1
91.05483	6.7
92.05787	0.4
93.07054	6.0
95.04974	2.1
95.08604	2.6
97.02895	3.1
98.20615	0.9
98.21326	2.5
99.04469	0.7
101.02386	1.4
103.03972	0.5
105.07036	5.1
107.04964	1.1
107.08612	1.6
109.06524	0.9
109.10158	0.6
117.07035	0.9
119.08578	3.3
121.10147	0.5
122.24331	0.5
123.08108	0.7
125.19627	0.5
127.03929	1.1
129.07007	1.6
133.10153	1.9
143.08601	1.0
145.04924	0.6
145.10146	1.1
147.11707	2.9
161.13312	0.8
168.45088	0.5
171.11700	2.4
189.12769	0.8
196.68890	0.4
243.08490	2.1
247.13106	2.5
303.15701	1.0
345.95270	0.5
465.21027	13.5
492.41013	0.5
689.35059	100.0
690.35413	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03953	14.2
55.01869	8.0
55.05260	2.0
55.05513	28.7
57.03432	11.5
57.07078	2.3
61.02921	1.9
61.82508	1.5
65.03933	5.2
67.05509	77.1
69.03433	36.6
69.07072	20.8
69.89452	8.2
71.01340	2.3
71.04991	9.2
73.02912	2.5
77.03921	2.2
79.05498	71.7
81.03423	100.0
81.07062	76.7
83.04986	20.4
83.08620	24.7
85.02913	16.7
85.06545	3.9
86.09717	1.6
87.14056	1.4
88.95184	1.4
89.12778	1.5
91.05061	0.9
91.05483	63.9
93.07050	64.9
95.04974	35.8
95.05556	2.7
95.08609	44.9
97.02905	20.9
97.06546	10.4
97.10183	5.9
99.04475	6.1
99.08115	3.2
103.05471	2.2
105.04545	2.1
105.07035	47.3
107.04953	9.5
107.08599	34.2
109.02874	17.2
109.06507	7.6
109.10152	15.8
111.04446	13.4
111.08057	8.4
113.09639	1.5
115.05479	4.8
117.07034	16.2
119.08585	35.3
121.06516	5.1
121.10155	26.4
123.04417	3.3
123.08093	6.5
123.11674	7.7
125.09647	5.4
127.03915	12.0
128.06259	4.1
128.45676	1.6
129.05515	2.6
129.07013	17.9
130.07872	2.7
131.08583	27.1
133.06461	3.7
133.10149	18.7
135.08099	2.6
135.11687	13.3
137.09630	3.3
141.07002	3.5
142.07796	3.6
143.08568	9.5
145.06537	3.7
145.10150	16.8
147.08095	4.4
147.11697	26.9
149.09650	5.6
149.13306	5.1
152.84138	1.5
153.06897	1.9
153.12840	2.9
155.08638	5.4
156.09250	1.7
157.06506	1.9
157.10132	14.1
159.08081	1.6
159.11717	12.3
161.09644	3.0
161.13260	6.6
163.11218	4.9
165.12744	8.5
167.08632	2.9
169.10193	5.6
171.08098	2.6
171.11772	6.1
173.04514	5.7
173.09711	3.5
173.13326	7.0
174.13832	1.5
175.11194	14.2
175.14912	2.3
181.10165	2.4
181.12245	3.3
183.11682	5.2
184.07385	4.3
185.09695	2.4
185.13278	5.3
187.14905	3.9
189.12775	2.3
191.10709	6.0
193.12263	42.5
195.11722	3.9
195.13539	2.0
197.13358	4.7
199.14867	1.9
203.37375	1.6
211.11429	2.0
211.13290	56.7
225.16489	2.5
227.12901	5.0
241.19620	1.7
249.14880	2.3
259.20682	2.7
261.22217	6.3
267.15833	8.9
283.15378	1.5
285.16962	8.0
297.22339	2.1
301.21710	3.8
315.23065	2.0
319.23245	1.7
323.23697	2.2
333.24023	1.9
335.25943	11.0
337.16431	2.5
351.23212	4.2
355.17542	7.8
369.24268	10.7
387.25299	3.4
405.26196	1.8
411.20193	5.8
443.27789	3.6
453.33606	2.0
461.28885	3.6
482.60114	1.6
527.37451	15.0
545.38312	6.7
635.40137	1.9
653.40027	4.1
671.41693	6.2
689.42590	61.1
690.43457	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	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01874	5.0
55.05515	9.3
57.03182	0.7
57.03442	7.9
57.04244	0.5
57.07060	0.9
59.04991	2.2
61.02929	2.6
65.03926	0.6
67.05173	0.6
67.05510	8.6
69.03422	1.5
69.07072	2.7
69.41809	3.9
71.01343	1.1
71.04992	2.5
73.02902	0.8
77.03880	0.5
79.05497	13.9
81.03423	7.6
81.07063	11.9
83.01350	6.0
83.04980	8.4
83.08620	8.0
85.02907	5.3
85.06532	0.9
91.03957	1.4
91.05486	9.0
93.07052	19.0
95.04969	5.7
95.08614	6.8
97.02894	3.1
97.06530	3.3
97.10169	1.4
98.20885	1.7
99.04428	1.8
105.07037	7.9
107.04959	6.3
107.08602	8.9
109.02831	0.5
109.06515	5.7
109.10168	1.9
111.04447	2.3
111.08079	1.4
111.11698	0.5
115.05494	0.5
117.07022	5.1
119.08594	6.4
119.66839	0.5
121.06529	2.5
121.10149	5.9
123.04450	0.7
123.08080	7.0
125.05979	2.0
125.09617	1.0
127.03938	0.6
129.07010	1.4
130.07762	1.1
131.08548	2.0
133.10118	2.0
135.08060	1.8
135.11691	8.6
137.09592	1.7
139.07562	1.1
143.08577	1.1
145.09029	0.9
145.10132	12.4
147.08060	1.9
147.11766	0.6
153.12741	2.5
155.08577	1.3
163.11194	19.0
173.09644	2.5
181.12325	2.5
189.96620	0.5
191.10666	2.0
209.11774	6.4
227.12825	3.2
245.98116	0.5
283.15411	100.0
284.15765	1.5
341.94684	0.7
382.46033	0.5
431.35614	0.6
491.26410	45.9
492.26447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
53.03943	6.0
55.01873	3.0
55.05513	19.1
57.03439	9.4
65.03936	3.7
67.05168	3.0
67.05509	42.2
69.03421	4.8
69.07072	10.8
69.47599	13.3
71.04977	5.2
75.42387	1.7
75.81111	1.5
77.03925	2.1
79.05496	63.3
81.03421	59.0
81.07059	47.0
83.04985	20.0
83.08618	22.4
85.02911	16.4
85.06572	2.6
91.05484	50.6
93.07047	51.1
93.14431	1.8
95.04966	32.8
95.08620	25.3
97.02880	4.8
97.06522	4.5
97.10176	4.3
98.21062	6.5
99.08128	2.0
105.07032	39.9
107.04977	9.0
107.08614	13.9
109.06525	7.5
109.10142	3.6
111.04544	1.9
111.08058	9.5
115.05427	2.4
117.07024	6.5
119.08601	28.9
121.06503	4.0
121.10158	9.5
123.08088	4.2
128.06235	2.4
129.07011	20.2
131.08574	15.3
133.06519	1.9
133.10135	14.9
142.07793	2.4
143.08565	6.8
145.10129	6.7
147.08069	3.2
147.11699	35.8
149.09593	4.9
157.10120	10.2
161.09624	3.0
161.13266	5.7
163.08531	1.6
163.11183	2.1
171.11676	17.5
175.11206	12.0
189.12773	4.7
193.12242	28.9
207.13844	20.4
211.13293	37.7
263.88901	1.9
267.15967	37.0
281.17474	58.0
282.17899	2.7
285.16977	41.2
340.72012	1.6
358.95560	1.7
473.28986	100.0
474.29181	6.0
491.30069	80.1
492.30621	4.0
581.61731	1.7
717.94415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93873	0.1
55.05508	0.2
56.05036	0.7
57.03426	0.1
57.07072	0.2
58.06625	0.4
59.07393	0.1
60.08165	6.2
67.05498	0.7
68.05835	0.1
69.03427	0.1
69.07065	0.1
69.51954	0.1
69.52353	0.4
69.58372	0.1
70.06595	0.1
71.07372	3.7
71.08624	0.1
79.05491	0.3
81.03413	0.4
81.07063	0.4
82.07392	0.1
83.08628	0.1
86.09705	31.1
87.10032	0.1
91.05474	0.2
93.07027	0.3
94.07392	0.1
95.04971	0.1
95.08621	0.3
96.08968	0.1
98.21251	0.2
98.42503	0.1
98.98469	3.6
104.10745	2.2
105.07040	0.2
107.08583	0.2
109.10194	0.3
110.10496	0.2
119.08594	0.2
125.00004	21.3
131.08505	0.1
143.01053	0.2
159.11664	0.1
163.01779	0.1
166.02689	0.1
184.07338	100.0
185.07706	0.5
229.14333	0.2
230.14859	0.2
231.15033	0.1
314.27780	0.1
335.25809	0.2
336.26138	0.1
337.26807	0.1
344.81177	0.1
490.36267	0.1
491.36362	0.2
496.34296	0.1
529.39050	0.1
609.25836	0.1
673.17169	0.1
688.45416	2.3
689.45728	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	688.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01881	5.4
55.05514	9.2
57.03446	7.6
57.07076	1.2
58.16031	0.6
59.05013	1.4
61.02913	2.0
65.03922	0.8
67.05510	12.3
69.03415	1.7
69.07064	4.0
71.01346	0.9
71.04986	2.8
71.57436	0.7
73.02905	0.6
77.03922	0.7
79.05056	1.3
79.05498	18.4
81.03410	7.2
81.07062	17.3
83.01349	5.1
83.04985	8.2
83.08634	9.9
85.02917	3.6
85.06542	1.2
86.09693	0.9
91.05487	10.3
93.06462	1.4
93.07051	27.8
95.04984	6.3
95.08611	20.2
97.02886	3.3
97.06506	3.7
97.10126	0.6
99.04456	3.5
103.05471	0.7
103.35082	0.6
105.07042	9.3
107.04972	8.3
107.08602	17.6
109.06550	4.2
109.10159	3.4
111.04440	2.4
111.08069	1.5
117.07014	6.4
119.08593	9.4
121.06522	4.1
121.10155	10.3
123.08080	5.3
123.11732	0.6
125.05969	2.3
125.09637	1.3
129.07019	0.8
130.07803	1.2
131.08572	2.5
133.10127	3.3
135.08025	2.4
135.11703	28.3
137.09619	1.4
139.07500	0.9
143.08542	1.0
145.10133	19.1
147.08029	1.1
147.11670	1.1
149.09583	1.9
152.50685	0.6
153.01830	0.7
153.12781	2.5
155.08589	1.3
163.11191	41.7
167.07036	0.8
173.09645	2.7
181.12244	6.5
184.07417	1.8
185.54419	0.6
191.10690	1.6
193.12251	0.8
209.11725	5.1
227.12798	33.9
265.14276	1.0
267.15961	1.1
283.15417	100.0
284.15823	1.3
321.32758	0.7
491.26392	76.8
492.26794	2.3
546.31787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03737	2.8
53.03943	22.4
54.47907	2.7
54.59402	2.6
55.01870	12.7
55.05516	39.9
56.24951	3.1
57.03439	14.0
57.07058	6.3
59.04974	3.3
67.05164	5.4
67.05508	82.6
69.03432	49.9
69.07070	31.3
69.66823	10.6
69.67258	12.0
71.04990	13.0
73.02916	4.8
73.81982	3.2
79.05498	68.8
81.03416	100.0
81.07058	68.0
83.04981	27.7
83.08617	20.3
85.02911	26.4
85.06555	4.4
91.04001	3.9
91.05482	74.9
91.27304	3.0
93.07055	61.6
95.04983	33.6
95.08618	41.7
97.02885	24.4
97.06528	8.0
97.10175	10.4
98.21143	12.0
99.04469	7.8
100.11286	4.1
101.02370	4.9
105.07029	66.3
107.04961	15.5
107.08591	28.1
109.02883	17.8
109.06532	9.1
109.10169	20.6
111.04435	10.3
111.08093	6.5
113.05978	4.0
115.05459	3.1
117.07027	31.7
119.08588	49.6
121.06492	10.0
121.10121	27.0
123.08060	7.2
123.11699	6.0
125.09621	8.4
127.03947	11.0
128.06244	11.3
129.05493	7.0
129.07005	34.6
130.07808	6.0
131.08577	46.6
133.06499	5.3
133.10114	30.0
134.35780	3.3
135.08089	6.6
135.11699	14.3
137.06079	3.5
137.09628	4.3
139.03798	3.2
141.07002	10.4
142.07785	11.4
143.08562	31.2
145.06500	10.1
145.10135	40.3
147.08043	4.9
147.11685	27.3
147.81262	3.9
149.09641	12.9
149.13297	5.3
153.07024	6.7
155.08540	24.5
157.06464	3.1
157.10121	35.2
159.08087	8.0
159.11707	22.1
161.09650	6.3
161.13257	6.1
163.11203	7.8
165.12770	6.1
167.08530	16.6
168.09303	4.8
169.10115	23.2
171.08046	6.3
171.11694	17.2
173.04457	26.8
173.09641	4.5
173.13281	12.9
175.11212	12.8
176.50389	4.0
181.10168	9.8
181.12239	5.7
183.08104	3.7
183.11731	22.6
184.07382	3.7
185.09662	3.8
185.13330	10.7
187.11215	6.6
187.14897	5.0
191.10626	3.5
193.10226	6.6
193.12251	26.7
195.11720	10.5
197.09578	6.5
197.13173	15.1
199.11143	5.9
199.14822	5.5
201.12772	5.6
207.11749	8.7
209.13322	7.8
211.11305	5.8
211.13312	30.0
211.14854	4.0
221.13344	6.8
223.14854	10.6
225.12721	6.1
227.12733	7.7
235.14771	6.0
237.12746	5.1
239.17975	3.8
241.19572	4.3
257.18994	5.8
259.20621	7.3
267.15805	8.0
271.20663	3.8
275.20145	6.9
285.16919	8.8
297.21878	3.9
307.20526	5.4
313.21680	4.8
321.21994	6.1
325.21628	6.4
337.21585	4.6
339.23303	4.4
349.21500	16.6
353.24625	4.0
367.22629	17.2
369.24515	4.1
377.20648	3.9
385.23782	5.3
403.25378	3.4
415.29663	4.5
433.31039	8.2
441.25992	6.7
451.32025	5.0
469.33377	4.7
507.34753	5.8
515.37177	4.9
525.28424	5.4
525.35791	63.2
543.36371	10.3
567.37061	5.9
633.37451	6.6
639.39252	4.6
651.39398	25.3
652.38989	3.7
669.40186	24.0
687.41119	76.8
687.52960	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01868	5.0
55.05512	18.6
57.03445	7.2
59.05001	2.2
59.70326	1.6
65.03949	2.0
67.05502	32.0
68.05814	1.5
69.03448	2.8
69.07066	7.9
71.04977	3.1
71.57901	2.6
78.13486	1.5
79.05492	44.7
81.03423	14.0
81.07059	29.1
83.01333	4.5
83.04988	13.5
83.08614	5.9
85.02902	3.5
85.06541	2.6
89.92247	1.4
91.05481	39.0
93.07046	48.1
95.04955	14.1
95.08614	17.2
97.02901	2.7
97.06524	4.1
97.10179	2.5
99.04445	2.4
105.07025	27.3
107.04957	8.5
107.08605	11.4
109.06519	6.9
109.10165	4.2
111.04437	1.8
111.08037	1.8
115.05431	1.9
117.07011	7.0
117.26624	1.7
119.08571	17.9
121.06533	3.9
121.10128	8.1
123.08057	6.9
129.07010	10.1
131.04970	1.5
131.08557	7.2
133.10138	7.7
135.11693	6.1
137.06062	1.5
143.08560	6.2
145.10144	14.0
147.08038	2.4
147.11678	19.4
149.09656	2.9
155.08557	1.8
156.09492	1.4
157.10172	2.7
159.00810	1.7
159.11650	1.8
161.09543	1.8
161.13252	5.4
163.11172	9.5
171.11684	10.8
173.09618	2.3
181.12262	2.0
189.12732	3.5
191.10675	2.6
207.13773	14.0
209.11636	1.8
227.12732	3.4
262.29718	1.6
263.03976	1.4
265.14240	2.9
275.19769	1.5
281.17480	42.7
283.15414	34.0
298.13364	1.5
359.16037	1.7
436.27109	2.2
471.27295	6.3
489.28491	100.0
490.28732	3.8
505.01871	1.7
527.37360	2.7
668.38739	2.9
686.39209	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	687.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	20.9
55.05502	8.0
57.03222	1.9
57.03437	20.4
61.02930	2.3
63.59748	2.0
67.05486	2.5
69.03431	13.5
69.07067	3.4
71.04984	9.5
73.02905	8.9
79.05484	9.0
81.03426	31.7
81.07045	9.3
83.04979	8.0
85.02421	3.0
85.02907	36.3
87.04462	3.2
89.73438	2.1
91.05478	5.6
92.44235	2.4
93.07024	3.2
95.04954	6.4
95.08585	4.8
97.02926	11.1
99.04459	60.1
103.03940	11.1
103.05473	10.9
105.07014	14.5
107.04282	3.6
107.04958	51.0
107.08595	3.4
107.94063	2.1
109.02885	100.0
109.10107	3.9
111.04441	3.0
113.02372	63.4
115.03915	2.8
115.05446	5.7
117.05503	35.9
117.06940	2.8
119.04890	4.6
119.08590	2.3
120.05755	2.3
121.06537	4.4
122.03675	2.4
123.04433	6.3
123.11717	3.1
127.03920	90.7
131.04926	5.5
131.08543	2.8
133.06476	8.5
133.10117	4.5
135.08049	23.1
137.05984	5.3
140.07317	1.9
141.05496	4.0
145.04974	8.5
145.06485	3.4
147.04388	2.4
147.08058	4.4
149.05940	2.2
150.06630	2.6
151.03928	3.4
151.07512	4.7
152.13452	2.1
153.01831	5.2
154.06229	2.4
157.04938	2.7
157.08583	7.0
159.06529	13.2
159.07855	3.4
161.06004	9.0
163.07541	50.4
165.05460	6.0
165.09129	3.5
167.07045	97.7
168.07724	2.7
175.07544	4.9
176.12552	2.0
177.05476	5.0
177.09129	6.7
180.07822	7.4
181.08603	5.2
183.06544	28.5
187.05988	5.7
187.07587	6.0
188.08257	3.1
189.09117	5.1
191.07042	4.3
191.10686	5.1
193.08572	19.6
194.09470	2.5
195.10185	35.6
201.07607	13.8
201.09067	2.2
205.06969	2.4
205.08734	3.7
207.10152	8.2
211.09715	14.3
212.10381	3.8
213.11223	64.5
218.09290	2.2
219.08434	2.3
219.10231	23.4
221.08073	5.9
223.09619	3.5
225.07559	3.5
225.11153	2.1
229.07008	3.7
233.11726	5.3
237.11200	3.5
239.75720	2.1
243.08562	4.3
251.12711	8.6
253.07031	3.3
269.13699	2.7
271.08167	6.6
287.14880	40.8
297.13345	2.8
303.12399	12.1
309.09775	6.6
309.27808	4.3
311.14789	11.3
327.10709	5.8
345.11719	27.0
353.15933	4.3
357.26208	2.3
363.13043	3.4
371.26807	2.5
377.15906	6.2
395.17007	47.0
413.18176	4.1
415.61411	2.2
482.22787	2.2
503.19281	10.9
521.20447	14.6
539.21466	3.5
557.22443	2.8
666.37463	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	685.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07804	2.5
51.51839	2.3
53.03941	7.1
55.01864	6.3
55.05513	32.9
57.03438	19.8
57.07078	59.2
65.03943	3.8
67.05176	2.9
67.05507	43.0
69.03432	18.7
69.07067	20.7
69.39734	4.5
69.40147	17.1
71.01350	2.4
71.04984	10.8
71.08630	45.6
74.61500	2.2
79.05493	25.9
81.03420	100.0
81.07058	56.8
83.04983	73.1
83.08624	39.2
85.02911	24.4
85.06542	3.2
85.10184	21.0
91.05463	29.5
93.07051	19.5
93.08088	2.2
95.04977	27.5
95.08057	2.8
95.08615	41.7
97.02881	22.5
97.06506	3.8
97.10163	12.5
98.20808	6.4
98.21490	5.9
99.04452	5.9
99.08127	3.1
105.07039	20.3
106.91344	2.1
107.04934	9.9
107.08630	11.4
109.02897	15.5
109.06538	3.5
109.10149	20.3
111.04453	25.6
111.08048	15.0
115.05460	3.2
117.06936	3.5
119.08562	20.1
119.12589	2.4
121.06541	3.1
121.10133	11.8
123.11723	8.5
125.09614	2.7
127.03910	12.1
127.91479	2.2
129.05484	24.3
129.06993	8.7
131.08560	12.6
133.06516	3.9
133.10129	12.1
135.11649	6.3
137.09621	3.2
144.25687	2.4
145.10150	6.2
147.08116	4.6
147.11681	17.5
149.09601	8.6
153.12729	5.7
157.10130	11.4
162.04182	2.4
163.11185	7.8
165.12781	6.2
175.11224	13.7
177.73947	2.2
181.12192	5.9
191.10719	5.0
193.12248	64.2
211.13304	81.7
227.12860	12.0
229.14314	5.3
233.75368	3.2
235.13156	2.8
239.23676	9.8
267.15988	20.2
283.15338	3.8
285.16968	20.4
313.27350	98.5
314.27673	5.4
337.16580	3.5
355.17346	7.5
411.19946	4.0
429.21097	14.1
505.38730	16.1
523.39954	88.8
524.40094	4.2
539.39905	2.6
545.38092	4.7
639.19513	2.4
667.44141	29.1
685.28680	12.0
685.44189	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	685.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01875	5.6
55.05304	2.5
55.05516	30.8
57.03441	14.5
57.07078	36.3
67.05506	25.6
69.03430	18.3
69.07080	10.7
69.40070	20.2
71.04974	6.4
71.08627	28.4
79.05492	17.6
81.03419	82.0
81.07059	38.5
83.04984	67.9
83.08630	29.9
85.02914	19.5
85.10182	14.6
91.05460	19.7
93.07041	17.0
95.04968	20.6
95.08614	30.8
97.02911	11.7
97.06538	4.9
97.10158	9.5
98.21019	10.0
98.21587	2.6
99.04433	4.9
99.07983	2.6
105.07036	13.9
107.04971	6.4
107.08585	7.3
109.02874	8.6
109.06521	2.9
109.10160	13.2
111.04443	23.1
111.08078	9.7
113.06042	2.9
119.08575	13.7
121.10159	9.2
123.08080	2.5
123.11705	6.2
127.03918	6.1
129.05484	29.1
129.07001	9.6
131.08571	7.9
133.10146	4.9
135.11691	4.3
142.07732	3.0
145.10101	3.7
147.11673	16.9
149.09627	7.2
153.12747	5.6
157.10164	7.8
163.11212	6.5
165.12729	3.5
175.11179	10.8
181.12257	5.2
191.10675	4.6
193.12265	37.9
194.12180	2.7
211.13297	54.6
220.43631	2.2
227.12799	11.1
229.14282	5.9
239.23653	4.2
245.28326	2.1
267.15982	14.8
283.15521	3.9
285.17102	11.8
313.27383	59.9
316.45126	2.6
319.15598	3.8
355.17566	7.1
355.24020	2.5
411.19913	4.4
429.21182	17.1
437.38150	2.4
505.38956	12.5
523.39984	100.0
524.40009	2.8
587.02802	2.6
667.44141	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	683.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.1
54.57885	2.1
55.01855	9.8
55.05509	15.1
55.37233	2.2
57.03439	10.3
57.03669	2.1
57.06825	2.6
57.07079	39.9
61.25120	1.8
61.91288	1.7
67.05508	30.2
69.03435	17.8
69.07076	12.9
69.44707	15.5
71.01348	2.1
71.04986	11.4
71.08632	25.6
79.05505	20.0
81.03423	100.0
81.07060	33.2
81.71737	2.0
83.04987	26.9
83.08621	12.5
85.02888	7.4
85.10181	12.8
91.05475	9.1
93.07053	25.5
95.04946	7.1
95.08607	26.9
97.02900	29.5
97.06542	9.9
97.10166	4.3
98.20767	4.0
98.21428	4.9
99.04483	11.2
105.06984	5.2
107.04922	6.4
107.08578	15.1
109.02883	35.4
109.06516	3.7
109.10175	13.9
111.04461	28.1
111.08054	9.1
117.06979	4.3
119.08557	6.8
121.06509	3.4
121.10142	7.3
123.11722	3.3
125.07095	2.1
125.09578	3.1
127.03921	28.1
127.95631	2.0
131.08569	6.5
135.11710	16.0
143.08527	2.7
145.06467	3.0
145.10153	10.5
147.11707	2.9
149.09578	3.3
153.12737	24.0
163.11189	26.3
173.09639	4.8
181.12225	24.0
191.10666	21.3
209.11778	10.8
227.12781	46.4
236.35828	2.1
239.23889	3.3
256.23553	3.3
283.15393	19.0
313.27377	65.7
341.26529	2.4
353.15857	17.5
427.19592	25.4
510.76019	2.3
521.38257	7.1
539.39325	12.6
665.42596	22.0
683.43970	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	684.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.4
55.01867	1.9
55.05291	0.9
55.05516	9.6
57.03434	2.8
65.03939	1.3
67.05508	31.7
69.03399	1.1
69.07073	6.7
70.76261	2.2
71.04978	1.6
71.08608	1.5
73.06554	1.2
73.18318	0.8
79.05495	48.0
81.03423	10.4
81.07061	26.7
82.98952	0.8
83.04988	9.3
83.08632	6.0
85.06527	2.1
91.05482	35.6
93.07049	43.6
95.04970	13.6
95.08606	15.2
95.17025	0.9
97.06525	3.4
97.10166	2.8
98.21099	1.1
99.08091	2.1
103.58295	0.9
105.04543	1.5
105.07036	28.4
107.04953	4.0
107.08598	12.1
109.06499	3.5
109.10152	3.0
115.05390	1.1
117.07005	5.9
119.08582	16.3
121.06496	2.1
121.10149	3.5
123.07252	0.9
123.08062	3.5
127.07590	1.5
128.06253	1.9
129.06987	12.5
131.08563	2.8
133.10124	6.6
135.08064	1.2
135.11667	2.4
137.09627	1.2
143.08548	6.2
145.10124	6.0
147.08020	2.5
147.11690	24.4
149.13235	1.0
151.11247	0.9
159.11722	1.0
161.09622	3.2
161.13297	6.7
163.11157	2.5
171.11702	18.1
179.14354	4.6
183.21738	0.9
189.12714	6.3
193.12242	1.2
207.13814	20.9
225.14793	1.8
277.21671	3.3
281.17487	46.7
370.52863	0.8
469.29630	2.6
487.30551	100.0
488.30807	3.8
543.36865	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	685.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
58.83544	0.7
65.03944	0.7
67.05494	1.1
67.14783	0.7
68.99786	0.9
71.56447	1.0
73.06560	0.7
83.04980	1.4
83.20013	0.7
85.02896	1.0
86.63071	0.7
91.05460	1.3
93.03397	1.4
95.04967	2.5
97.02930	0.7
111.04459	2.4
115.74329	0.6
119.04911	4.4
123.04433	51.9
127.03906	1.6
135.04446	0.8
137.06023	0.7
139.03905	100.0
140.04257	1.2
143.04941	1.6
144.08289	0.6
147.04413	15.4
151.03909	2.3
153.01910	1.5
153.05464	1.7
154.30846	0.7
161.05994	5.8
163.03906	1.5
165.05482	13.9
165.06856	0.7
169.05011	1.4
179.07042	2.6
181.04860	0.7
194.01511	0.7
207.06506	5.9
273.07599	2.1
277.03342	0.9
291.08630	38.7
650.74695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3297
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03933	0.6
55.01867	0.5
55.05503	1.8
57.03453	2.2
60.08159	0.7
61.02916	3.1
61.25199	0.4
65.94405	0.5
67.05508	5.4
69.03424	2.0
69.07044	1.0
71.04988	1.8
71.57672	0.6
73.02917	3.0
79.05492	3.9
80.31090	0.4
81.03407	2.1
81.07059	6.4
83.04983	1.1
83.08617	1.5
85.02905	3.9
85.06551	0.7
86.09696	3.4
91.03950	2.2
91.05490	2.4
93.07042	4.5
95.04962	0.8
95.08594	1.7
97.02898	2.8
97.06551	1.2
98.21107	0.8
98.98452	0.5
99.04448	0.8
101.02393	1.1
105.07041	1.8
107.08609	2.5
109.02883	1.3
109.06542	0.7
109.10148	1.9
119.08621	0.6
121.06484	0.6
121.10163	1.7
123.08009	0.5
125.00011	2.4
127.03916	1.3
131.08525	0.8
133.10152	0.9
135.08018	0.5
135.11696	1.5
145.10176	0.8
149.13272	2.1
159.11708	1.3
163.11229	1.2
184.07343	11.8
185.07675	2.4
191.10561	0.4
195.13800	0.7
235.13110	0.8
243.08513	1.7
269.17578	1.0
272.29086	0.5
423.27521	0.7
424.27777	0.7
449.29041	0.9
450.29330	1.6
453.20981	7.8
467.18774	3.8
482.32230	0.9
679.32941	100.0
680.33112	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	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01875	1.0
55.05502	1.4
57.03432	1.7
60.84377	0.4
61.02931	3.7
62.49335	0.4
65.03954	0.6
65.88355	0.4
65.93330	0.4
67.05507	5.1
69.03442	2.6
69.07056	1.3
69.43163	2.8
69.43574	1.0
71.04975	0.6
72.15692	0.4
73.02918	2.0
79.05497	3.9
81.03421	4.6
81.07053	4.7
83.04996	1.4
83.08640	1.4
85.02912	5.4
85.82227	0.4
91.03983	2.2
91.05489	3.7
92.05843	0.6
93.07047	4.0
95.04973	1.7
95.08623	1.9
97.02890	3.1
97.06537	0.9
97.10201	0.7
99.04507	0.8
101.02421	0.7
104.77448	0.5
105.07025	2.7
107.08609	2.0
107.70923	0.5
109.02895	0.8
109.06543	0.9
109.10149	1.0
111.08127	0.9
117.07011	0.5
119.08614	2.1
121.10153	1.8
123.04411	0.7
123.11728	0.6
125.09621	0.5
127.03952	1.3
129.07043	0.7
131.08586	1.7
133.10162	1.3
135.20897	0.5
143.67993	0.4
145.10237	0.7
147.04373	0.5
147.11658	1.1
149.13266	1.0
157.10110	0.7
159.11693	1.2
161.09669	0.5
175.11246	0.9
177.05478	0.7
185.04443	0.5
193.12309	1.0
235.13206	1.1
243.08516	1.9
251.12624	0.9
291.19586	0.5
313.10959	0.7
316.22821	0.6
349.94666	0.5
353.26465	0.5
377.30130	0.5
391.32831	0.4
453.20953	4.5
469.20480	5.8
681.34546	100.0
682.34845	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	678.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01878	3.6
55.05510	7.0
57.03433	4.1
58.92144	0.6
59.05000	0.8
60.08166	0.9
61.02914	1.4
65.03931	0.7
66.50861	0.6
67.05503	24.8
68.12740	0.7
69.03423	3.6
69.07071	6.8
69.44805	1.7
69.45208	5.1
71.05003	4.1
73.02909	0.9
79.05064	0.8
79.05496	15.0
81.03422	22.8
81.07057	25.9
83.04984	8.0
83.08615	8.2
85.02904	9.5
85.06537	3.1
86.09707	4.9
91.05479	26.6
93.07038	14.5
95.04966	11.2
95.08600	5.8
97.02895	1.7
97.06526	3.2
97.10139	1.6
98.21199	2.8
99.04432	1.8
105.06379	1.4
105.07033	19.8
107.04922	2.5
107.08598	19.0
109.06512	4.4
109.10155	32.0
110.36079	0.7
111.08067	4.3
113.05986	2.4
115.05491	1.4
117.07013	1.5
119.08568	6.9
121.10165	3.3
123.08033	0.9
123.11697	4.6
124.99986	3.0
125.06002	1.1
125.09587	1.0
125.72915	0.7
127.03915	1.0
127.07552	2.3
129.07001	3.9
131.08563	5.0
133.06506	1.0
133.10133	40.6
137.09604	1.7
142.07822	1.0
145.10133	0.9
147.08044	2.0
147.11696	5.6
149.09633	1.7
151.11176	20.0
157.10117	5.1
161.09583	1.7
169.12262	3.2
175.11189	5.7
179.10564	0.8
184.07350	15.1
193.12250	17.0
211.13293	37.6
215.12758	1.4
249.14970	0.7
253.14352	100.0
254.14688	2.0
267.15881	6.4
271.15393	24.2
285.16962	19.5
315.95734	0.7
363.90024	0.8
445.25476	5.3
463.26718	16.9
481.27969	51.0
482.28363	3.2
484.09341	0.8
537.73645	0.8
678.36359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01871	11.4
55.05515	22.2
57.03191	2.0
57.03442	22.7
57.07062	4.0
59.04995	1.4
61.02910	4.9
67.05510	56.1
69.03425	6.0
69.06776	1.5
69.07076	16.3
70.61729	1.8
70.62062	3.0
71.01350	3.8
71.05003	6.4
71.07374	1.5
73.02910	3.4
75.02672	1.3
75.33487	1.4
77.03908	1.8
79.05498	52.4
81.03426	20.9
81.07061	33.8
82.04193	3.3
82.11541	1.3
83.04985	17.0
83.08622	10.6
84.08994	1.4
84.53926	1.2
85.02922	6.3
85.06537	4.9
86.09725	10.8
91.03883	2.2
91.04959	2.2
91.05487	25.5
93.06466	3.0
93.07054	59.9
94.07359	1.6
95.04974	16.2
95.08607	12.1
95.09167	1.8
96.05774	1.6
97.02885	5.2
97.06543	15.2
97.10175	18.9
98.07301	4.1
98.21021	2.3
99.04458	1.4
99.08100	4.1
105.07046	12.2
107.04955	7.7
107.08601	37.0
109.06538	3.5
109.10152	10.6
111.04414	2.3
111.08072	5.6
115.05465	2.2
115.50283	1.4
116.04696	6.1
117.07024	8.1
119.08592	14.6
121.06481	4.5
121.10147	10.6
123.08068	4.0
125.00019	7.1
125.09657	13.7
129.05505	21.3
129.07018	3.4
130.07813	1.6
131.08575	5.3
133.06403	1.8
133.10164	7.5
134.10429	1.4
135.08015	3.5
135.11700	58.2
137.09657	1.9
143.07025	4.4
145.10133	14.8
147.11671	3.2
149.09647	3.7
151.11169	2.4
153.12761	4.4
155.10594	1.6
157.08569	7.5
157.10141	4.0
158.05782	2.5
161.72217	1.2
163.11211	16.4
165.12737	2.1
171.06540	3.8
171.10156	2.6
173.09567	2.4
173.11829	2.0
175.11206	1.6
178.05135	1.4
181.12238	16.9
184.07361	26.9
184.08968	2.1
185.11760	1.7
189.11201	4.6
191.10664	1.8
193.12285	4.8
199.13254	8.5
200.14081	2.1
209.11736	6.6
211.13283	4.2
227.12807	10.4
253.14488	2.4
255.15939	90.1
256.16348	2.3
267.15933	5.2
269.17529	2.5
283.15375	6.2
285.16806	1.6
292.29037	1.7
301.16467	46.1
309.16922	4.2
309.20486	1.5
379.24820	3.4
397.25699	2.9
409.25919	11.4
437.28787	2.3
447.27316	7.8
463.26559	8.6
464.27777	11.2
480.30167	1.9
481.27887	100.0
482.28354	3.7
511.70169	1.5
678.37396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01870	2.5
55.05507	12.5
57.03439	11.9
57.07072	1.6
61.02916	4.8
65.03939	1.3
67.05508	35.6
69.03434	2.4
69.07068	9.4
69.40851	2.1
69.41253	6.8
71.04991	4.3
73.02907	1.2
79.05495	28.5
81.03422	41.4
81.07060	47.8
83.04980	11.4
83.08631	19.4
85.02905	17.6
85.06528	2.6
90.94274	0.9
91.03955	2.0
91.05479	30.5
93.07052	31.0
95.04968	17.8
95.08607	12.6
96.57936	0.9
97.02901	3.8
97.06541	6.7
97.10161	2.7
98.20906	3.2
99.08079	1.8
103.58802	1.1
105.07034	15.3
107.04962	3.7
107.08600	16.2
109.06530	3.9
109.10155	3.3
111.04459	1.5
111.08096	8.4
113.06017	2.0
113.70180	1.1
117.07020	3.0
119.08582	12.8
121.06560	1.7
121.10146	11.4
123.08060	1.4
123.11731	3.8
125.09689	1.2
129.07024	7.2
131.08583	9.2
133.06508	1.9
133.10124	13.2
135.11703	3.6
137.09689	1.5
142.07889	1.0
145.10091	2.4
147.08037	1.8
147.11699	10.1
149.09650	3.7
149.13268	8.6
151.11121	1.2
157.10152	8.3
159.11731	3.7
163.11284	1.4
165.12790	1.8
175.11166	9.6
177.12810	1.8
184.07327	1.2
193.10945	0.5
193.12242	26.4
195.13803	7.1
211.13292	44.3
212.13622	1.0
213.14868	1.5
267.15945	15.8
269.17487	36.1
285.16977	41.3
286.17365	1.5
391.32150	1.0
425.16473	1.1
443.27893	1.6
461.28943	18.0
462.29205	1.4
479.30063	100.0
480.30142	3.3
497.17780	1.2
623.34308	1.1
676.26849	6.2
677.25208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05509	1.2
57.03437	1.2
58.90392	0.3
61.02932	3.2
63.28568	0.4
66.49561	0.4
67.05513	4.1
69.03429	1.7
69.07076	1.4
72.87141	0.4
73.02916	2.6
78.24420	0.3
79.05508	4.0
81.03407	1.9
81.07053	5.0
83.08625	1.3
85.02907	3.0
91.03970	2.6
91.05483	2.9
93.07042	5.2
95.04984	1.1
95.08617	1.6
97.02899	2.4
97.06537	0.9
98.21126	2.2
101.02405	1.2
103.03989	0.5
105.07050	1.7
107.08603	2.8
109.02909	0.7
109.10165	0.6
115.05491	0.4
117.07012	0.7
119.08614	1.2
121.06577	0.4
121.10175	1.1
127.03927	1.1
129.07027	0.9
131.08630	0.6
131.50044	0.4
133.10133	0.6
135.11649	0.7
143.08630	0.5
145.05058	0.5
145.10187	0.4
147.11717	1.0
149.13252	2.3
159.11684	0.7
161.13330	0.4
171.11716	0.9
184.07338	0.4
185.04413	0.4
195.05743	0.4
195.13902	0.4
235.13091	0.6
243.08482	1.6
247.13127	1.2
269.17633	0.4
281.17545	0.8
303.15808	0.5
324.87204	0.5
453.20956	6.4
465.21060	6.6
677.35077	100.0
678.12354	1.0
678.35345	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	678.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05035	0.7
58.06623	0.4
59.07383	0.1
60.08163	6.3
67.05486	0.1
69.39906	0.8
70.06587	0.2
71.07372	3.3
76.85536	0.1
79.05482	0.1
81.03413	0.2
81.07066	0.2
83.05006	0.1
85.02901	0.1
86.09704	30.2
87.10034	0.1
88.69041	0.1
91.05490	0.3
93.07023	0.1
95.04942	0.1
95.08586	0.1
98.21123	0.4
98.98464	3.6
104.10743	2.6
105.07059	0.1
119.08553	0.1
121.10101	0.1
125.00002	20.1
125.28206	0.1
133.06378	0.1
133.10121	0.1
143.01115	0.1
167.07042	0.1
184.07336	100.0
185.07732	0.6
242.11766	0.1
281.09650	0.1
450.22717	0.2
468.23514	0.2
522.43817	0.1
660.34741	0.2
678.36127	8.0
679.36365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84155	1.2
53.03962	3.3
55.01863	5.9
55.05269	1.6
55.05515	19.5
57.03439	6.0
57.07085	6.4
67.05507	14.6
69.03437	2.5
69.07074	20.5
71.05002	2.0
71.08632	5.0
71.36140	1.2
71.57600	2.0
73.02917	2.4
79.05505	12.8
79.78073	1.3
81.03423	35.6
81.07056	16.4
83.04987	3.6
83.08617	23.1
85.10190	2.3
91.05481	15.8
93.07047	8.3
95.04974	12.7
95.08608	10.0
97.06529	3.5
97.10172	12.1
98.97846	2.6
98.98469	42.3
105.07017	9.7
107.04935	2.2
107.08622	5.5
109.06537	3.0
109.10188	2.2
110.93010	1.3
111.08086	4.3
111.11721	3.7
115.05471	1.5
119.08578	5.4
121.06486	1.6
121.10129	7.1
129.07007	6.4
131.05992	1.3
131.08563	6.5
133.06552	1.5
133.10112	4.3
134.17308	1.3
135.11710	2.2
137.09712	1.6
142.07764	2.1
143.08539	1.9
145.10136	1.7
147.08064	3.2
147.11679	4.7
149.09671	2.2
155.01045	6.6
157.10149	5.9
165.07120	1.3
171.52548	1.4
173.02106	5.3
174.65990	1.3
175.11223	7.4
181.04868	1.6
183.11697	1.6
184.07338	2.4
185.13211	1.3
193.12248	18.1
196.88535	1.3
211.13347	1.9
237.22119	4.6
249.14798	4.5
267.15952	31.4
311.25797	28.2
403.14682	1.4
427.95450	1.3
475.37643	2.6
503.37341	100.0
504.37671	3.4
521.38025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01862	3.7
55.05514	16.1
57.03440	13.2
57.07072	1.4
58.41734	1.4
61.02924	2.7
65.03930	2.3
67.05508	45.1
69.03429	3.2
69.07076	14.1
71.04986	3.4
72.38926	1.3
73.02926	2.4
79.05498	35.9
81.03422	49.3
81.07060	63.6
83.05000	11.8
83.08619	26.1
84.65443	1.3
85.02905	16.9
85.06554	4.4
91.03943	1.9
91.05489	33.4
93.07049	44.9
95.04975	24.2
95.08611	17.6
97.02884	4.6
97.06548	11.6
97.10155	3.4
98.21277	8.5
99.08086	2.6
105.07031	19.3
107.04976	3.4
107.08599	23.7
109.06509	4.8
109.10128	1.9
111.04481	1.4
111.08102	10.4
113.05939	1.8
115.05450	1.4
117.06998	4.4
119.08584	15.3
120.52866	1.2
121.06464	1.6
121.10156	17.9
121.10943	2.5
123.11716	1.4
129.06984	9.2
131.08562	14.6
133.06599	1.3
133.10144	12.7
134.90302	1.3
135.11678	6.3
137.09586	2.4
141.02640	1.4
142.07762	1.8
147.08055	3.0
147.11708	10.9
149.09605	5.6
149.13272	18.7
151.37175	1.5
153.65758	1.6
157.10179	10.9
159.10587	1.3
159.11705	8.9
165.12720	2.4
175.11188	9.0
177.12659	3.8
193.12277	32.5
195.13843	7.2
211.13307	44.9
211.15280	3.2
222.91551	1.6
236.30028	1.4
267.15924	30.5
269.17493	73.4
285.16965	36.7
435.27332	1.7
461.29001	55.4
462.29279	4.4
479.30063	100.0
480.30237	6.1
509.80176	1.6
623.34680	1.7
673.62457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55560	1.0
70.06596	4.7
71.07973	2.1
71.09460	0.8
79.66986	0.7
89.11272	0.8
91.05470	1.5
95.11390	0.9
98.20959	1.2
102.79420	0.7
115.05421	1.3
116.76929	0.8
117.05714	1.0
117.07061	1.1
118.06546	21.8
123.04404	1.1
130.06538	2.4
132.08090	5.9
139.03947	0.8
142.06522	3.4
143.07301	3.0
144.08096	14.5
146.06010	68.3
147.06343	1.4
153.01752	1.2
159.09196	7.1
160.07544	0.8
170.06032	5.0
188.07074	100.0
189.07404	1.1
205.09729	37.3
304.73572	0.9
331.85587	0.9
365.32336	0.9
697.19507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.9
51.73063	0.7
53.03948	1.9
55.01876	0.8
55.05509	4.3
57.03439	1.8
57.07077	8.0
60.81577	0.6
65.29652	0.7
67.05505	9.0
69.03429	3.5
69.07067	9.7
71.04996	3.7
71.08615	0.6
71.57822	0.7
79.01853	2.7
79.05499	6.3
81.02983	1.0
81.03421	9.1
81.07059	31.8
83.04978	2.1
83.08629	5.6
85.02914	4.3
85.06548	6.7
91.05466	5.0
93.07046	13.4
95.04978	3.6
95.08611	20.4
97.02898	2.6
97.06539	1.9
97.10160	2.4
99.04436	1.0
99.08133	1.1
105.07053	6.7
107.01318	1.6
107.04960	1.0
107.07865	0.9
107.08597	10.5
109.02888	4.5
109.06532	1.8
109.10164	13.4
111.08084	1.8
111.11703	1.7
113.09636	0.7
117.07040	1.1
119.08585	6.5
121.06514	1.3
121.10144	10.5
123.08094	1.6
123.10815	0.9
123.11719	15.6
123.12572	1.2
125.02371	3.7
125.05989	0.8
125.09616	1.1
127.03904	5.0
127.11162	1.0
129.06970	0.8
131.08560	2.0
133.10135	5.6
135.11690	6.1
137.05962	1.2
137.09621	1.1
137.13269	7.4
139.11186	2.2
143.03389	6.0
145.10165	2.3
147.08051	0.9
147.11697	3.8
149.05937	0.7
149.09619	1.2
149.13257	7.1
151.11139	1.7
153.01837	100.0
153.12769	2.4
154.02180	1.3
155.10657	0.9
155.14293	1.1
157.10143	0.8
159.11684	3.5
161.09593	1.2
161.13254	2.1
163.07530	1.0
163.11185	1.3
163.14839	1.6
165.09109	1.1
165.12761	0.9
167.07059	7.3
171.02902	8.6
171.11658	0.8
173.13255	1.5
175.14932	0.8
177.16406	2.1
181.05019	0.9
184.07333	1.0
187.14795	0.8
187.80981	0.6
189.16426	3.8
191.18083	0.8
193.08521	0.7
193.12245	1.6
203.17940	1.9
205.08682	0.6
205.12349	0.7
205.19472	1.0
205.83545	0.7
215.17953	2.6
217.19530	1.0
223.20515	0.7
233.18935	1.2
239.20053	1.0
251.20004	3.4
267.15985	4.4
271.24182	2.6
277.25195	3.6
289.25253	3.5
295.26407	3.4
297.05978	3.1
307.26303	9.1
315.07138	11.0
325.27454	5.0
441.30341	0.7
459.27347	2.2
460.27798	1.2
462.94641	0.7
477.28513	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	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.2
55.01865	4.5
55.05510	16.3
57.03437	12.4
59.74091	1.2
61.02935	1.4
65.03938	2.1
67.05504	28.4
69.03426	14.6
69.07086	7.9
70.02078	5.4
71.04990	7.0
74.62643	1.2
79.05492	31.4
81.03419	100.0
81.07058	36.0
81.07517	2.8
83.04981	26.1
83.08625	32.7
85.02905	26.7
85.06546	2.2
90.29078	1.5
91.05484	44.1
93.07040	25.8
95.04971	31.4
95.08611	12.3
97.02895	17.7
97.06533	5.3
97.10192	6.1
98.20724	1.4
98.21308	3.3
99.04469	4.6
99.08114	1.8
105.07029	27.6
107.04962	10.4
107.08578	11.7
109.02891	8.8
109.06543	6.5
109.10117	2.9
111.04475	8.8
111.08082	10.7
113.06069	1.9
115.05491	2.4
117.07029	4.8
119.08575	24.4
121.06504	4.5
121.10146	14.3
121.10926	1.9
123.08076	3.5
123.11726	2.9
125.09653	3.8
127.03909	8.1
129.05495	3.6
129.07018	13.9
131.08575	14.1
133.06483	4.1
133.10117	14.9
135.08060	2.1
135.11761	1.7
137.09608	2.8
142.07776	4.8
143.08531	2.2
143.67146	1.4
145.06500	1.9
145.10135	4.4
147.08055	4.5
147.11684	21.4
149.09622	8.5
149.13281	3.0
155.08582	2.2
157.10121	18.0
158.10532	1.6
159.08157	1.6
163.11194	4.7
165.12770	4.4
169.90443	1.4
171.11623	1.4
173.04466	1.6
173.09660	1.6
173.13184	1.6
175.11183	20.2
181.12190	2.1
184.07411	1.8
185.13409	1.6
189.11195	1.6
191.10730	2.1
193.12251	57.2
209.11632	1.5
211.13295	75.6
212.13593	2.0
227.12669	2.9
229.14372	2.7
267.15903	40.8
269.17386	3.2
273.14868	2.5
283.15363	3.7
285.16980	55.7
301.14410	1.8
337.16486	3.3
355.17487	4.7
367.22714	2.8
385.23566	3.9
393.19211	2.3
411.19946	6.2
429.21155	17.4
459.27386	33.4
477.28452	45.7
495.29523	40.5
603.31915	3.4
621.32874	8.4
639.33740	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05506	15.0
57.03434	16.3
61.02921	3.3
65.03951	1.8
67.05508	24.7
69.03421	5.6
69.07060	6.8
69.93045	7.6
71.04985	4.6
73.33659	1.5
79.05504	25.6
81.03421	90.3
81.07055	24.0
83.04984	12.8
83.08622	27.1
85.02899	16.5
88.62262	1.4
91.05482	30.4
93.07051	17.1
95.04972	28.7
95.08597	10.4
97.02905	6.0
97.06521	4.4
97.10167	4.6
98.21062	4.8
105.07035	23.8
107.04967	9.6
107.08562	7.5
109.06503	5.2
109.10151	2.7
111.04436	3.0
111.07433	1.5
111.08092	9.6
115.05453	1.6
117.07062	2.6
119.08582	12.7
121.06474	3.9
121.10143	10.6
123.04445	1.7
123.08078	3.9
124.88596	1.4
125.09597	3.2
129.07014	13.0
131.08566	13.1
133.06497	3.6
133.10141	10.2
135.11639	1.6
142.07777	2.4
145.06487	4.5
145.10150	3.9
147.08038	3.7
147.11693	11.4
149.02356	2.4
149.09650	6.8
149.13316	1.7
157.10115	14.7
163.11166	1.9
165.12724	3.1
171.08012	2.0
175.11197	11.7
181.44473	1.5
181.46368	1.5
189.12747	1.6
193.12244	37.0
211.13290	24.6
249.14986	1.7
267.15927	100.0
268.16357	2.6
273.14859	3.6
283.15335	4.6
285.16919	29.7
341.21036	1.9
349.21506	3.3
367.22784	9.9
385.23712	12.1
403.24905	3.7
433.25937	11.8
441.26352	6.1
459.27466	57.5
477.28500	40.6
656.09528	1.7
674.37225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05511	15.2
57.03194	0.9
57.03439	11.9
57.07074	1.3
59.04993	1.6
61.02939	4.5
67.05508	23.9
69.03409	2.4
69.07076	7.8
70.24807	3.4
71.01344	0.9
71.04976	3.5
73.02926	1.3
79.05058	1.7
79.05495	25.3
81.03421	45.6
81.07062	35.7
83.01326	2.7
83.04975	9.0
83.08620	20.1
83.25323	0.9
85.02907	9.5
85.06548	2.1
91.03931	1.5
91.05482	22.8
93.07051	29.2
94.07384	0.9
95.04971	17.0
95.08617	10.7
97.02912	5.7
97.06523	4.9
97.10154	3.4
98.21146	2.1
99.04452	2.1
105.04622	0.8
105.07033	15.8
107.04937	7.2
107.08596	15.8
109.02882	1.2
109.06523	3.9
109.10163	2.8
111.04420	2.6
111.08080	4.7
115.05449	1.6
117.07036	5.8
119.08586	12.3
121.06512	2.6
121.10139	9.1
123.04417	1.3
123.08085	5.5
123.11726	2.4
125.05951	1.0
125.09631	1.7
128.26695	1.0
129.07007	6.6
131.08566	8.3
133.06502	2.2
133.10144	8.2
135.08063	1.9
135.11678	6.5
137.09636	1.1
142.07834	2.0
143.08528	1.1
145.06462	1.5
145.10114	7.5
147.08049	2.8
147.11679	6.2
149.09605	3.9
149.13269	5.1
151.11122	0.9
153.12825	1.5
153.46889	0.9
157.10095	4.7
159.11708	2.5
163.11215	10.0
173.09552	1.2
175.11214	5.5
175.79756	0.9
181.12373	1.3
190.04382	0.9
193.12234	17.5
193.13872	1.5
195.13809	5.0
209.11749	2.4
211.13301	9.7
227.12804	2.7
228.23271	1.0
249.14877	1.2
267.15915	50.6
269.17471	23.6
273.14828	1.8
283.15381	37.9
285.16986	9.4
349.21634	2.1
367.22690	4.5
385.23804	6.8
403.25006	1.7
425.52393	1.0
433.26123	5.3
441.26205	2.6
459.21091	1.7
459.27420	26.6
460.27649	1.0
477.28494	100.0
478.28644	3.5
519.29352	1.0
590.59143	1.0
652.89648	1.1
674.34625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51230	0.9
51.59900	0.8
53.00296	0.8
55.01884	4.4
55.05305	0.8
55.05510	11.2
57.03437	8.4
57.07058	1.5
59.05000	1.8
61.02911	2.7
63.03430	0.8
65.03926	1.2
67.05180	2.0
67.05505	27.7
69.03410	1.5
69.07069	8.2
69.61860	1.7
69.62271	4.6
70.42010	0.8
71.01358	1.2
71.04980	3.4
72.31651	0.8
79.05062	1.3
79.05496	23.4
79.05956	1.4
79.50535	0.9
81.03420	6.2
81.07056	41.9
83.01344	3.7
83.04979	8.0
83.08621	8.5
85.02885	3.5
85.06543	1.7
91.05478	13.7
93.07045	35.4
95.04989	4.2
95.08601	10.4
97.02892	2.4
97.06544	6.7
97.10131	1.5
99.04445	1.2
99.08085	2.0
105.07048	8.0
107.04967	5.4
107.08593	17.9
108.94618	0.9
109.06503	3.6
109.10178	2.1
111.08088	4.7
111.11718	1.2
115.05460	0.8
117.07023	6.0
119.08579	3.9
121.06497	1.7
121.10131	12.1
123.08075	3.6
123.11719	1.8
125.05939	0.8
129.06950	1.1
131.08578	4.4
133.10146	4.9
135.08054	1.3
135.11688	11.3
143.08553	0.9
145.10120	9.3
149.13257	14.4
151.11191	1.1
153.12698	1.3
155.08609	0.8
159.11754	4.9
163.11182	12.9
173.09644	1.5
177.12766	2.4
181.12286	2.2
191.10657	0.9
195.13809	6.4
209.11752	4.9
209.13382	0.9
227.12769	3.1
265.14325	0.9
269.17471	54.4
280.63382	1.2
283.15396	42.3
459.27307	2.9
477.28467	100.0
478.28903	4.8
563.63300	1.0
609.34290	1.0
674.34381	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	674.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	1.1
55.04254	0.5
60.25237	0.4
60.44681	0.3
65.03945	0.4
68.99781	1.0
69.69675	0.7
69.70081	1.9
70.06593	100.0
71.06933	0.6
73.52145	0.4
78.97563	0.4
79.05479	0.6
81.03407	0.8
85.36777	0.3
87.29805	0.4
91.05453	0.9
93.03392	0.8
95.04962	0.9
98.02912	0.4
98.21270	0.8
107.04979	1.7
109.06526	0.7
117.03387	0.7
119.04951	1.4
123.04420	7.4
131.04961	0.5
135.04419	23.0
137.05975	5.4
139.03897	6.0
147.04478	1.6
151.03925	1.9
153.05504	1.2
159.04439	1.0
161.06021	1.3
163.03909	27.4
164.04663	1.4
165.05482	17.5
168.47546	0.4
168.76370	0.4
173.05998	0.6
175.03906	0.9
177.05402	2.4
187.03922	3.7
187.07652	0.6
189.05519	1.2
201.05537	1.5
203.03278	0.6
205.05034	2.0
213.05481	0.5
215.07036	0.8
217.05000	0.8
227.07182	0.4
229.04927	2.9
239.07047	0.9
241.05179	0.9
243.06624	0.9
255.06496	0.5
259.06168	1.2
267.06586	1.3
269.08218	0.5
271.06000	5.2
273.07574	0.9
283.06116	2.2
285.07596	11.0
289.07059	0.4
291.08856	0.5
295.06024	2.6
297.07608	2.0
299.09161	0.7
301.07147	3.0
309.07669	1.4
313.07074	4.6
313.10287	0.6
315.08731	1.2
325.06976	3.7
327.08615	5.0
337.07166	0.5
384.14474	1.6
411.10895	1.4
435.10861	0.7
447.10715	3.2
453.11917	1.3
465.11676	4.1
605.16840	0.8
617.16693	6.0
674.22278	27.1
675.22540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91025	0.3
53.03960	0.5
54.03459	1.1
55.01878	0.5
55.04256	0.5
57.03447	0.4
60.76961	0.3
67.05518	0.4
68.99785	0.7
69.03430	1.2
70.06593	100.0
70.51911	1.1
71.06917	0.5
75.57908	0.3
75.58405	0.3
79.05495	0.6
81.03415	1.3
85.02908	1.5
89.03902	0.5
91.05495	1.0
93.03406	0.7
95.04988	0.8
97.02898	0.8
98.21307	0.5
103.05477	0.9
105.03451	0.4
107.04950	1.9
109.02892	0.7
109.06482	0.4
111.04456	0.8
117.03389	0.6
119.01854	0.3
119.04968	0.9
120.13960	0.4
121.06496	0.4
123.04433	7.7
127.03960	0.7
131.04932	0.7
132.19954	0.3
133.06523	0.7
135.04416	21.7
137.02344	0.4
137.05972	5.1
139.03896	5.4
145.05014	0.4
147.04398	1.5
149.06044	0.4
151.03911	2.1
153.01866	0.9
153.05507	1.3
159.04485	0.9
161.05934	1.7
163.03909	25.1
164.04681	0.9
165.05481	15.4
173.05986	0.9
175.03882	0.7
176.07133	0.4
177.05450	3.2
179.03412	0.5
180.21425	0.3
187.03917	3.7
189.05482	1.6
191.03560	0.5
193.04950	0.4
201.05568	0.5
203.03387	0.5
203.07115	0.5
205.04982	1.7
207.08121	0.6
211.07582	0.6
213.05600	0.7
215.07141	1.0
217.05017	0.7
225.05540	0.4
229.04921	1.8
239.07072	0.6
241.05087	0.6
245.05090	0.4
247.02309	0.5
253.04898	0.4
255.06607	0.5
257.00919	0.8
259.02383	0.6
259.06412	0.8
263.07083	0.4
267.06616	0.9
269.08139	1.1
271.06052	4.2
273.08029	0.5
275.01996	1.0
277.03519	1.3
278.03873	0.4
283.05991	1.6
285.00363	0.7
285.07593	6.3
291.09094	0.5
295.05957	1.9
297.07550	2.4
299.09207	1.4
301.07010	2.4
303.01346	5.2
303.08780	0.5
304.01709	0.8
307.06128	0.4
309.07584	2.2
313.07074	3.6
315.08701	1.3
325.07022	2.5
327.08600	5.3
338.10287	0.4
384.14447	8.7
394.99234	0.4
411.10995	1.0
429.47586	0.3
435.10889	1.2
447.10690	3.0
453.11890	1.0
465.12125	3.5
466.12399	0.4
494.03378	0.6
496.02573	0.5
503.03235	0.4
512.03644	0.6
537.10864	0.3
605.16528	0.9
617.16510	5.0
674.22321	22.5
675.22772	1.0
703.40704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01881	6.8
55.05513	15.5
57.03437	22.8
57.07075	1.6
59.04996	3.1
61.02926	1.8
61.35582	1.1
65.03931	2.0
67.05506	68.0
69.03076	1.5
69.03432	24.8
69.07059	4.0
69.46368	9.2
71.01334	2.2
71.05005	6.3
73.02917	23.1
79.05498	22.5
81.03418	59.2
81.07058	25.0
83.04984	17.9
83.08620	18.7
85.02431	2.1
85.02909	37.2
85.06521	3.3
87.04443	1.8
91.05488	21.9
93.07050	12.9
95.04970	20.4
95.08621	11.6
97.02894	16.6
97.06510	3.4
97.10152	3.9
98.20959	5.1
99.04433	4.4
99.08035	1.4
101.02339	1.9
103.03945	1.6
105.04533	1.5
105.07035	15.2
107.04956	19.1
107.08582	7.1
109.02873	6.8
109.06529	3.2
109.10157	55.2
111.04449	8.9
111.08081	9.8
115.03977	1.2
117.07030	1.2
119.08574	16.3
121.06485	1.3
121.10155	7.2
123.04427	2.7
123.08038	3.1
123.11692	1.6
125.05975	1.7
125.09639	4.0
127.03932	7.6
129.05444	4.4
129.06976	7.1
131.03404	3.6
131.08562	8.8
133.06456	2.4
133.10164	6.5
135.04416	10.0
135.11679	3.5
137.09604	3.4
142.07762	2.1
145.10132	1.4
147.07957	2.5
147.11703	10.2
149.09608	4.8
151.03868	1.5
151.11119	1.6
153.05473	5.8
153.09102	1.7
155.10669	4.8
157.08784	1.6
157.10121	9.1
159.11740	1.2
161.27457	1.2
163.03854	1.8
163.11125	2.0
165.12708	1.9
167.07092	1.8
173.04359	2.2
173.11754	11.2
175.11147	9.2
181.04865	2.1
189.11258	1.6
193.12238	29.8
199.06004	2.8
211.13292	42.6
217.07117	5.0
227.12746	3.7
229.14354	48.8
248.04173	1.2
267.15924	13.6
268.16278	1.3
285.17004	20.1
301.16351	2.8
421.25851	14.0
439.26923	100.0
440.26978	3.7
459.26807	2.5
477.28311	1.9
511.28851	2.0
655.33020	1.4
673.34601	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	672.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01873	0.8
55.05521	7.0
57.03427	4.4
61.02907	1.2
67.05505	24.0
69.07069	8.5
70.62188	1.2
70.62518	1.9
71.04974	1.4
79.05061	1.5
79.05495	25.8
81.03391	3.4
81.07058	28.0
83.04958	4.5
83.08636	4.7
85.06519	1.1
91.05481	19.8
93.06467	1.7
93.07047	33.6
95.04971	6.7
95.08612	10.4
97.06532	4.4
97.10135	1.1
98.20950	1.5
105.07030	12.0
107.04950	1.7
107.08601	11.0
109.06519	2.2
109.10137	2.1
111.08080	2.0
117.07002	4.0
119.08567	7.7
121.01173	0.8
121.06492	0.8
121.10125	4.2
123.08025	1.9
127.07563	1.2
129.06998	5.3
131.08566	2.8
133.10110	4.1
135.08002	0.9
135.11684	1.7
139.67017	0.8
143.08557	2.8
145.10139	1.7
147.08032	1.3
147.11685	12.2
149.13284	9.3
159.11685	2.7
161.13327	4.2
171.11688	8.0
177.12791	1.7
189.12724	3.8
195.13763	2.4
207.13773	9.0
225.14888	1.5
269.17462	24.9
281.17499	22.1
475.30539	100.0
476.30826	4.5
626.19977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75517	1.0
53.03936	3.1
55.01863	2.1
55.05514	9.9
57.03421	4.1
65.03926	1.2
65.85227	0.9
67.05508	34.8
69.03407	1.7
69.07075	6.9
71.04987	2.6
77.58939	0.9
79.05060	1.9
79.05496	31.5
81.03432	4.5
81.07059	34.7
83.04993	6.9
83.08635	5.2
85.02892	1.7
85.06530	2.1
91.04960	1.7
91.05483	21.2
93.06471	1.7
93.07048	32.7
95.04976	9.4
95.08054	1.0
95.08605	12.3
97.06548	4.5
97.10174	2.7
105.07030	14.0
107.04964	3.3
107.08597	11.6
109.06513	2.7
109.10153	2.1
110.88885	1.1
111.08088	1.4
117.07011	4.0
119.08573	7.3
121.06496	1.9
121.10139	5.2
123.08041	2.9
123.11687	1.0
125.09614	1.0
129.06998	5.7
131.08548	3.9
133.10110	8.9
135.11690	3.7
143.08548	2.8
145.10110	2.9
147.11708	10.6
149.13303	4.6
151.11125	1.0
159.11670	2.9
161.09642	1.5
161.13269	5.1
163.11151	1.2
166.35759	0.9
171.11720	7.6
177.12791	1.8
179.51569	0.8
184.07310	1.6
189.12787	1.6
195.13815	2.0
200.73419	0.9
207.13806	8.0
269.17480	18.0
271.41495	1.0
281.17484	21.1
395.73334	1.0
472.43002	1.1
475.30566	100.0
476.30719	3.7
540.90924	1.0
542.40338	1.0
619.34515	1.7
670.30170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
57.03459	3.9
57.07076	30.5
58.38389	0.7
61.02633	1.3
61.02923	13.5
67.05505	11.3
69.03428	1.6
69.07074	6.5
70.16243	2.7
71.08632	27.3
73.02891	4.8
75.04452	1.6
79.05486	2.7
81.03390	1.3
81.07055	16.7
83.04943	0.8
83.08621	11.1
85.02900	14.7
85.10183	14.8
89.06036	1.0
91.03419	1.1
91.03956	13.7
91.05474	2.1
93.07023	2.2
95.04943	1.5
95.08603	23.7
97.02901	6.6
97.10174	5.7
98.21040	1.8
99.04445	1.0
105.07036	1.3
107.08588	1.4
109.10166	12.3
111.11713	1.7
115.03926	0.8
119.08537	1.0
123.11739	4.3
125.13229	0.9
127.03931	5.2
131.08534	1.2
137.13243	2.4
145.04939	8.3
163.06021	12.1
166.31651	0.9
180.36029	0.8
221.22437	1.2
239.23685	21.9
256.71918	0.9
257.24786	3.6
313.27359	100.0
314.27856	3.8
331.28433	37.2
495.43677	0.9
510.66266	0.8
530.05060	0.9
552.12695	0.9
672.41907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
54.25101	0.2
55.01835	1.2
55.05482	1.3
57.03425	0.8
57.07016	0.3
60.94005	0.3
61.02928	7.6
65.03940	0.5
67.05499	1.7
68.99790	1.4
69.03428	2.2
69.07030	1.1
71.01312	0.4
71.04978	0.7
71.56670	0.3
73.02917	1.9
79.05495	3.0
81.03438	2.4
81.07064	3.4
83.04955	0.9
83.08588	0.8
85.02909	6.4
85.06512	0.7
87.04426	0.3
91.03958	2.8
91.04972	0.3
91.05482	3.5
93.07050	4.4
93.62388	0.3
95.04974	2.5
95.08605	2.1
97.02886	4.5
97.06501	0.5
97.10134	0.4
99.04430	0.7
101.02361	0.4
103.05477	2.8
105.06405	0.4
105.07034	7.2
107.01231	0.3
107.04903	1.1
107.08582	2.3
109.02892	1.4
109.06495	0.3
109.10153	1.7
109.96907	0.3
110.06010	0.4
111.00780	0.4
111.04393	0.4
111.08054	0.5
115.05463	1.8
117.03362	0.4
117.07046	0.3
118.04134	0.7
119.04910	1.0
119.08596	1.5
121.02871	1.4
121.06509	8.2
121.10150	2.9
123.00767	0.3
123.04426	2.7
123.08069	0.5
123.11682	1.2
125.09564	0.4
127.03922	1.6
129.06973	0.3
131.04922	1.5
131.08534	0.9
131.09578	0.3
133.02844	1.5
133.06497	3.2
133.10088	1.0
135.04410	1.8
135.08060	0.5
135.11658	0.7
137.02345	10.5
137.03377	0.4
137.05995	3.3
139.00266	2.7
143.05975	0.3
143.08434	0.4
145.02785	0.6
145.06477	0.3
145.10133	0.7
147.04451	1.9
147.08020	0.4
147.11694	0.9
149.02339	0.7
149.05978	3.3
149.09592	0.9
149.13229	0.3
151.03893	1.6
151.07520	2.2
153.01830	4.3
153.05515	0.5
157.01456	0.4
159.04401	1.4
159.05568	0.6
159.11688	0.4
161.02385	2.4
161.05949	1.9
161.09558	0.9
161.13226	0.3
163.03906	9.7
163.07549	1.4
163.11143	0.9
165.01857	0.3
165.05420	0.7
165.09085	0.8
167.03227	0.4
167.07074	3.1
167.10710	0.5
169.01367	2.3
171.04388	0.5
171.11765	0.4
173.02345	0.9
175.03900	0.5
175.07562	0.5
177.01901	0.3
177.05472	9.9
178.06206	0.7
179.03355	0.7
180.07845	0.6
181.01338	0.7
181.08598	0.6
187.03909	2.5
189.05473	0.7
189.09129	0.7
191.03394	2.4
191.10663	0.9
193.08603	1.8
193.12233	0.4
194.09409	2.4
195.10051	0.3
199.03831	0.9
200.04407	0.3
201.01913	0.5
201.09213	0.3
203.10754	0.3
205.04901	0.5
207.10103	0.5
209.08113	1.1
209.11699	0.4
211.13319	0.4
215.03407	2.7
217.04964	0.9
219.02893	1.3
219.41432	0.3
227.12560	0.4
229.01411	0.3
233.04398	0.7
242.88951	0.3
243.02811	0.7
245.04509	1.2
247.02383	1.1
257.04489	0.3
261.03949	0.8
267.15692	0.3
271.02350	0.8
273.03946	4.3
287.05475	0.8
289.03427	46.1
290.03891	1.0
301.03552	1.8
301.06570	0.3
302.03998	0.7
303.04993	6.9
305.24817	0.6
315.04868	1.6
317.02917	68.7
318.03442	2.3
319.04501	11.3
323.25726	0.5
329.06476	0.5
333.02249	0.4
343.04468	5.1
357.06027	1.6
453.07562	0.3
475.30380	0.4
511.12381	100.0
512.12695	3.0
527.12018	0.6
556.17780	0.5
673.38043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01875	26.8
55.05512	46.1
57.03437	27.9
57.07076	10.8
59.04985	4.4
61.02916	3.1
65.03943	5.5
67.05510	100.0
69.03429	52.0
69.07060	20.4
70.74127	7.3
71.01350	8.9
71.04987	11.6
73.02924	20.9
73.91970	3.0
76.31318	2.7
79.05502	57.9
81.03423	85.4
81.07059	45.4
83.04991	34.2
83.08632	22.2
85.02911	44.4
91.05486	43.6
93.07056	42.1
94.87389	2.4
95.04981	36.5
95.08611	23.8
96.11742	2.7
97.02896	40.9
97.06540	16.5
97.10174	25.9
98.21259	4.2
99.04472	8.8
99.08131	2.9
105.04533	3.2
105.07040	20.6
107.04958	25.9
107.08591	27.7
109.02885	26.0
109.06503	9.9
109.10158	53.0
111.04428	15.1
111.08084	10.4
115.03970	2.6
115.05453	3.9
116.04727	5.0
117.07034	11.1
118.50828	2.8
119.04948	2.6
119.08579	21.7
121.06516	4.8
121.10151	17.0
123.04449	15.5
123.08086	6.9
125.09647	31.6
127.03928	13.8
127.11203	5.0
129.05479	10.6
129.07040	7.5
131.08572	15.9
133.06462	3.5
133.10143	12.9
135.04439	11.0
135.08075	5.8
135.11708	8.5
137.05942	4.7
137.09610	5.5
139.03940	3.7
139.07480	4.1
143.07059	4.2
144.05666	2.6
145.10114	15.2
147.08080	5.6
147.11697	8.4
149.09579	6.4
153.05472	6.5
153.09094	5.1
153.12820	4.8
155.10678	5.2
157.08685	4.7
157.10126	5.9
159.11668	3.0
163.11201	18.8
165.09076	3.2
167.07031	5.3
171.06488	5.8
173.04498	9.8
173.09618	6.5
173.11746	17.3
175.11195	6.8
181.04967	5.0
181.12265	6.5
189.11234	5.4
191.10686	7.8
193.12299	11.8
199.06047	7.9
199.13293	11.7
209.11699	18.2
209.13368	3.3
211.13391	13.1
217.07080	4.1
223.13179	3.3
227.12766	15.2
229.14378	27.5
245.14018	3.4
245.26270	3.4
255.16177	3.0
267.15936	10.1
271.15869	3.0
283.15414	22.6
285.16754	4.1
301.16415	10.5
325.22928	2.9
327.19574	3.4
337.16644	3.0
353.15988	3.3
383.24103	3.0
421.18362	2.9
427.19470	4.3
437.25513	20.1
455.26563	5.8
493.27789	6.5
671.33759	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	671.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
53.51670	2.9
55.01859	14.0
55.05516	52.6
57.03439	16.6
59.04993	3.4
62.03697	3.5
67.05177	4.0
67.05510	67.6
69.03426	26.5
69.07068	14.5
70.75252	10.4
71.04980	16.6
73.02911	5.2
79.05497	60.6
81.03419	100.0
81.07054	59.1
83.01326	3.7
83.04984	36.1
83.08617	26.3
85.02898	16.4
85.06554	6.4
87.04461	5.3
91.05482	55.5
93.07036	48.7
95.04972	42.8
95.08627	21.8
97.02877	21.1
97.06523	11.8
97.10184	27.1
99.04428	5.8
105.07042	35.4
105.09356	3.5
107.04963	19.0
107.08606	28.7
109.02878	15.4
109.06514	10.2
109.10161	24.7
111.04441	11.4
111.08067	10.9
113.66700	3.6
115.05394	3.6
117.07031	12.3
119.08587	32.0
121.06505	13.2
121.10153	22.6
123.04462	6.1
123.08085	6.1
123.11739	4.1
125.09629	31.2
127.03915	7.4
129.05455	8.2
129.07001	19.4
131.04924	5.1
131.08554	23.1
132.89392	3.9
133.06523	7.7
133.10120	21.8
135.08018	13.0
135.11714	8.2
137.06038	3.3
139.11130	5.1
141.31836	3.6
142.07823	4.1
143.08568	9.8
145.06442	9.7
145.10133	11.8
147.04396	8.1
147.08031	10.0
147.11691	13.2
149.06036	4.4
149.09616	12.4
150.24814	3.7
153.09056	6.0
155.08504	4.8
157.10138	14.3
159.28886	3.6
161.09669	6.1
163.11200	10.0
165.12782	5.4
167.06937	4.5
167.10661	6.5
173.04466	9.5
173.09663	4.3
175.11168	11.7
183.11586	4.3
185.09621	5.9
185.13327	4.6
187.14877	4.4
189.11212	13.0
189.12726	5.2
193.12250	30.5
194.29465	3.4
199.13336	4.4
205.12280	4.9
209.11569	4.6
211.11533	4.1
211.13214	18.1
215.14418	5.0
219.13867	4.4
225.14809	9.5
227.12753	17.5
229.14310	4.9
233.15369	9.2
237.12785	5.3
249.14810	4.6
267.15942	22.2
273.14670	5.7
285.17035	8.3
339.23129	5.2
349.21603	9.9
367.22781	19.8
385.23862	31.4
403.24777	12.7
441.26263	10.8
459.27478	84.6
477.28525	68.0
491.29910	27.0
509.31503	18.9
621.32837	7.8
653.35760	4.6
656.56750	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01873	1.4
55.05500	1.6
57.03445	1.1
61.82631	0.6
65.03930	0.8
67.05492	3.1
68.68221	0.5
68.99785	0.9
69.03430	2.9
69.07066	1.3
69.46299	2.9
71.04990	11.4
75.05334	0.4
79.05500	4.2
81.03433	4.0
81.07058	3.2
83.05000	1.1
83.08606	0.7
85.02911	1.2
85.06576	0.4
91.05491	7.2
93.07047	5.0
95.04968	1.2
95.08613	4.6
97.02888	2.3
99.04455	32.1
103.05483	1.0
105.07034	60.3
106.07392	0.7
107.04971	1.3
107.08600	2.9
109.02875	1.7
109.06514	1.9
109.10164	1.6
111.00808	1.1
111.08089	0.5
115.05480	1.0
117.05562	0.5
117.07024	1.4
119.04918	1.0
119.08586	4.0
121.02864	1.3
121.06495	5.0
121.10155	1.3
123.04413	1.0
123.08076	4.2
123.11723	1.9
125.09575	0.7
127.03922	1.7
128.06203	1.6
129.06985	0.6
130.07764	0.7
131.04973	0.7
131.08562	2.6
133.06503	7.8
133.10132	34.1
135.04391	0.5
135.08025	0.6
135.11696	1.2
137.02361	3.9
137.03313	0.7
137.05930	0.9
137.09605	0.8
143.08569	3.5
145.06509	1.0
145.10109	3.1
146.07291	3.7
147.04434	1.4
147.11639	0.5
151.07512	3.1
151.11143	2.2
153.01826	4.7
159.08037	0.6
161.09622	63.1
161.39909	0.5
162.09900	1.0
163.03918	0.9
163.11191	12.6
163.12540	0.9
165.01814	1.8
167.07092	0.7
173.05905	0.7
174.06775	0.9
177.09183	0.5
179.10681	27.9
183.02902	1.0
189.09149	7.5
191.10655	0.5
194.47234	0.4
199.14787	0.6
201.05493	1.9
207.10182	8.4
219.06549	0.6
229.04953	4.9
247.06055	1.0
257.04425	2.6
274.04733	0.8
285.03937	1.8
303.04996	100.0
304.05264	2.1
336.48419	0.6
351.14407	0.5
369.15442	17.6
671.35565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01877	4.6
55.05510	21.8
57.03434	9.4
57.07054	2.1
65.03944	5.1
67.05506	75.7
69.03438	10.9
69.07065	18.2
71.04993	27.8
71.57315	3.5
79.05493	74.1
79.05956	3.6
80.30668	1.8
81.03423	39.5
81.07059	92.1
83.04979	26.3
83.08617	9.3
85.02918	3.0
85.06552	6.8
87.29047	1.9
91.05480	63.3
92.05778	2.1
92.21463	1.9
93.06460	4.0
93.07043	63.4
93.84361	2.4
95.04969	20.8
95.08606	26.1
97.02886	7.2
97.06538	5.8
97.10175	2.4
98.20927	2.3
99.04466	5.0
99.08149	2.6
105.07030	43.7
107.04963	9.2
107.08589	23.7
109.02890	4.5
109.06509	6.2
109.10162	9.3
111.04469	3.1
111.08069	3.5
117.07013	14.5
119.08576	22.3
121.06545	3.6
121.10129	11.3
123.08067	5.1
123.11700	9.6
125.09653	2.0
127.03944	4.8
129.05463	5.5
129.06984	17.6
131.08572	6.8
133.10155	18.1
135.08003	2.7
135.11658	4.6
143.08556	9.1
145.10114	13.4
147.08035	4.4
147.11688	27.8
148.12050	3.2
149.13266	8.7
151.11168	3.7
156.68022	2.2
157.10085	4.0
159.11597	4.3
161.09778	2.9
161.13251	9.5
171.11679	16.5
173.04478	9.5
177.12720	3.0
187.13263	3.9
189.12750	4.5
193.12262	2.5
195.13770	3.7
201.14816	3.0
207.13785	24.9
224.72565	2.2
225.14717	3.1
237.16504	2.2
269.17453	2.8
281.17459	32.0
339.17978	2.8
403.28241	2.7
413.21750	3.6
431.28104	2.3
445.24243	11.1
449.28979	52.3
463.30655	5.5
475.30588	100.0
475.37375	4.9
476.30792	7.0
507.33044	8.2
528.37720	16.1
619.34662	8.4
651.37341	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.03448	1.0
57.07067	2.7
57.91256	0.9
61.02916	3.6
67.05508	6.7
69.03435	1.8
69.07056	1.7
71.08614	3.0
71.09007	1.4
73.02916	2.9
75.13757	0.8
79.05499	0.8
80.49271	0.8
81.03412	1.2
81.07053	3.2
83.04975	0.9
83.08623	1.7
83.64449	0.9
85.02894	4.7
91.03945	2.5
95.08607	2.3
97.02883	3.9
97.10181	1.0
101.02399	1.2
103.03939	1.0
109.10159	6.5
127.03950	1.6
137.06848	0.9
139.56952	0.8
173.11784	1.9
185.04153	1.3
203.05295	1.0
229.14468	1.1
243.08273	2.1
305.40714	0.9
313.27493	1.0
413.17816	9.1
496.77136	1.0
497.30984	5.1
669.41840	100.0
670.42340	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	671.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03935	1.1
55.01865	1.3
55.05501	1.5
57.03428	1.1
60.76575	0.4
61.63243	0.4
65.03925	0.5
67.05503	3.4
68.99809	0.6
69.03430	5.2
69.07058	0.7
71.04994	6.2
71.56850	0.5
71.57211	0.4
77.07050	0.4
79.05498	4.3
81.03413	5.3
81.07050	3.4
83.04986	0.7
83.08608	0.6
85.02900	1.7
85.06544	0.6
91.04971	0.4
91.05486	6.0
93.03393	0.4
93.07042	4.6
95.04982	2.2
95.05484	0.3
95.08611	4.2
97.02888	2.3
97.06551	0.5
97.10159	0.8
98.21051	0.4
99.04453	17.4
103.05468	1.0
105.07029	47.6
106.07340	0.8
107.04939	1.1
107.08599	3.8
109.02865	1.7
109.06506	2.0
109.10170	2.0
111.00798	1.3
111.04443	0.4
111.97427	0.4
115.05425	0.7
117.07030	1.7
119.04924	1.3
119.08567	3.6
121.02837	1.3
121.06511	3.5
121.10127	1.4
123.04395	0.7
123.08076	3.8
123.11755	1.9
125.05956	0.4
125.09652	0.5
127.03916	1.7
128.06221	1.4
129.06973	0.5
131.05026	0.6
131.08540	2.0
133.06503	4.8
133.10127	30.1
135.08075	0.7
135.11678	1.2
137.02342	4.3
137.06000	1.2
137.09613	0.6
137.14653	0.4
143.08553	2.3
145.06415	0.7
145.10106	2.4
146.07268	1.7
147.04396	2.2
147.08051	1.0
147.11694	0.9
149.02405	0.6
149.09612	0.8
151.03954	0.4
151.07518	2.6
151.11183	1.4
153.01826	6.0
159.08098	0.7
159.11714	0.5
161.09618	42.2
162.09975	0.7
163.03896	1.0
163.11194	13.5
165.01884	2.5
165.09058	0.8
166.02605	0.6
167.07068	1.0
171.08006	0.6
173.05948	0.5
177.09038	0.5
179.10670	23.9
180.11008	0.6
183.02910	0.7
189.09094	7.4
191.10730	0.4
193.12317	0.4
201.05453	1.8
201.09142	0.4
201.75183	0.4
205.04987	0.6
207.10172	4.5
229.04962	4.8
229.14282	0.4
243.08369	0.5
247.06044	0.9
249.11121	0.4
257.04459	2.7
274.04639	0.7
285.03906	1.2
285.07272	0.4
291.08524	0.4
299.09100	0.9
303.04984	100.0
304.05161	2.4
305.13806	0.6
323.14886	1.1
345.05881	1.0
351.14420	3.7
367.22827	0.7
369.15509	3.1
385.23535	0.6
388.09592	0.4
432.02948	0.4
432.96005	0.4
459.27246	1.0
462.12521	0.4
477.28372	0.9
491.29788	0.6
606.67206	0.4
628.73602	0.4
671.37732	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	667.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01841	1.2
53.03942	10.2
55.01871	4.4
55.05514	17.9
57.03434	9.9
57.07077	53.0
65.03943	2.2
67.05505	41.6
67.12824	1.0
69.03072	1.7
69.03429	20.5
69.07066	15.8
69.58004	3.6
69.58417	3.8
71.04993	5.8
71.08633	34.7
79.05064	1.2
79.05499	19.4
81.03419	100.0
81.07062	45.8
83.04979	16.5
83.08618	26.6
85.02903	14.6
85.06548	2.8
85.10180	17.3
86.09708	2.4
91.05482	28.8
93.07050	14.5
95.04973	19.3
95.08610	37.1
97.02890	27.2
97.06543	4.8
97.10172	8.4
98.20977	3.4
98.21567	1.4
99.04457	8.6
99.08131	2.2
105.07037	20.7
105.07748	1.0
107.04955	5.7
107.08577	6.3
109.02887	21.9
109.03589	1.9
109.06528	4.4
109.10159	13.2
111.04446	11.3
111.08066	6.4
113.06035	1.3
115.05475	1.6
117.07039	3.5
119.08594	16.7
121.06544	3.2
121.10142	7.6
123.04420	3.3
123.08067	2.9
123.11722	7.6
123.12520	1.4
125.09660	1.6
125.13271	1.4
127.03920	14.4
129.05531	1.6
129.07016	10.7
131.04961	1.3
131.08592	7.9
133.06502	3.0
133.10107	6.5
135.08070	1.9
135.11716	2.8
137.05989	1.2
137.09633	1.2
137.13310	2.5
142.07823	2.0
143.08591	1.4
145.06554	2.2
145.10179	3.0
147.04465	1.1
147.08098	3.1
147.11697	16.8
149.09636	4.8
153.12756	2.1
155.08525	1.6
157.10130	8.3
159.11743	1.2
163.11214	3.9
165.12746	5.7
171.11745	1.7
173.04509	3.9
175.11174	13.2
181.12260	4.8
184.07382	3.2
191.10757	3.8
193.12247	37.6
211.13301	49.0
217.12209	1.0
227.12845	4.8
229.14430	2.8
235.13477	1.8
237.12692	1.4
239.23747	9.3
243.03098	1.3
249.14922	1.6
255.13913	3.1
265.14478	1.4
267.15900	15.2
273.14847	2.8
285.17026	3.6
291.15808	1.4
301.14362	1.5
313.27359	35.6
314.27689	1.8
319.15451	1.6
333.17316	1.2
337.16321	5.3
341.27124	1.5
355.17569	11.9
383.28036	2.8
393.19162	2.0
396.05225	1.4
411.20053	13.0
462.87894	1.1
505.38840	6.2
523.39893	13.4
649.42700	2.2
667.44141	84.3
668.44421	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	668.205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26660	0.2
67.05457	0.2
69.94402	0.7
81.07001	0.3
98.21233	0.5
104.76394	0.2
109.23541	0.2
147.40439	0.2
187.78195	0.2
204.90642	0.2
242.20810	0.2
282.29828	0.2
341.26810	0.3
448.07932	0.3
449.08243	1.4
450.09073	2.9
451.09909	0.4
461.08536	0.3
462.08972	0.5
463.10019	1.6
464.10568	9.3
465.11328	3.0
466.11755	0.7
476.10483	0.9
477.12183	2.1
478.12244	7.0
479.12921	11.8
480.13327	1.3
490.08691	0.7
491.08521	3.7
492.09824	12.9
493.10837	3.6
494.15280	66.7
495.15488	3.2
504.10089	0.7
505.10199	1.8
506.11447	16.8
507.11481	1.9
519.12360	0.3
520.12842	3.5
521.13708	16.4
522.13739	3.1
534.14728	1.3
535.15137	0.7
537.17267	0.5
538.14130	0.3
548.16431	0.6
549.16876	0.6
551.14606	0.4
552.16455	0.3
553.16272	0.3
563.14789	0.3
565.16766	0.9
579.13959	0.4
580.18927	2.0
593.15863	0.9
608.18414	100.0
609.18793	5.4
636.18091	0.7
668.20172	13.2
669.19708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.2
54.58952	1.1
55.01878	3.9
55.05512	21.8
57.03439	12.3
57.07080	53.6
65.03949	2.3
67.05505	36.9
69.03432	24.9
69.07068	13.8
70.14973	3.8
71.01376	1.3
71.04995	7.5
71.08634	38.4
73.19553	0.9
79.05496	22.5
81.03421	97.5
81.07060	47.5
83.04983	16.8
83.08627	24.7
85.02903	18.8
85.06540	2.9
85.10189	19.2
91.05481	27.0
93.07052	16.1
95.04971	20.3
95.08609	38.2
97.02897	24.9
97.06553	4.6
97.10172	11.4
98.21143	2.1
99.04441	5.9
103.03869	1.0
105.07037	20.0
106.34168	1.1
107.04945	6.5
107.08605	7.5
109.02887	18.3
109.03585	1.8
109.06537	4.6
109.10160	16.5
111.04453	11.2
111.08076	8.7
111.11755	1.6
113.06004	1.6
115.05474	2.6
117.07053	4.0
119.04972	1.3
119.08583	14.3
121.06543	2.9
121.10153	7.3
123.04405	1.5
123.08103	2.8
123.11709	8.7
125.13263	1.9
127.03921	15.9
129.05556	2.3
129.07013	8.8
131.04910	2.2
131.08578	11.0
133.06529	3.2
133.10147	9.1
135.04422	1.1
135.08055	1.5
135.11720	2.5
137.09627	1.5
137.13263	2.4
141.06947	1.4
142.07791	3.0
143.08594	1.9
145.04979	1.1
145.06572	2.4
145.10201	4.1
147.04457	1.3
147.08095	3.7
147.11684	16.6
149.09612	5.6
153.12755	2.0
157.06595	1.9
157.10117	11.4
157.11078	1.0
159.08084	1.1
161.01891	1.0
163.11230	5.8
165.12729	5.9
171.08058	1.9
173.04465	2.6
175.11192	13.8
181.12260	3.1
181.84685	1.0
183.06599	2.4
183.11882	1.1
185.13359	1.2
189.11252	1.1
189.12839	1.4
191.10762	4.7
193.12256	42.5
209.11708	1.5
209.13463	1.4
211.13293	62.8
213.12732	1.6
213.48981	1.2
217.12309	1.7
227.12636	5.4
229.14462	3.1
231.13605	1.0
235.13329	2.3
239.23683	11.4
249.14882	1.5
255.13728	1.7
259.13394	1.7
265.14459	2.0
267.15939	9.6
273.14917	3.5
283.15643	1.7
285.17105	3.1
291.15927	1.4
301.14368	2.3
313.27386	37.3
321.16785	1.1
337.16306	6.0
341.27048	2.2
355.17584	12.0
383.27985	2.8
393.19104	2.1
411.20032	11.2
421.29666	1.1
439.30594	1.8
505.38986	8.8
519.40277	1.3
523.39935	18.7
649.43384	5.2
667.44171	100.0
668.44617	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	668.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05508	6.6
57.03214	1.1
57.03440	10.6
57.07074	1.3
59.04999	3.6
61.02925	1.6
67.05507	61.0
69.03410	1.4
69.07066	3.2
69.94562	0.9
70.32899	0.9
71.04985	4.0
71.58078	1.2
79.05489	8.5
81.03420	46.9
81.07059	17.0
81.13557	0.9
83.04993	5.2
83.08619	15.5
85.02908	2.6
85.06541	3.3
91.05483	14.9
93.07034	8.6
95.04972	13.1
95.08609	8.4
97.02886	2.9
97.06548	1.4
97.10178	1.6
98.21191	1.2
99.08113	1.0
105.07032	7.1
107.04945	4.3
107.08614	5.3
109.06525	2.7
109.10156	56.7
110.10516	2.0
111.04498	1.3
111.08069	4.9
113.05977	1.1
117.07021	1.4
119.04948	1.7
119.08582	10.9
120.04330	1.0
121.06521	2.0
121.10132	5.7
123.04457	1.3
125.09634	1.4
129.07002	4.5
129.85477	0.9
131.08568	4.6
133.06519	1.6
133.10107	5.5
135.11676	1.2
137.09639	5.6
145.06487	1.1
145.10104	2.3
147.04443	3.5
147.08092	1.1
147.11670	5.0
149.09633	4.0
151.11172	1.0
155.10686	4.2
157.10135	4.6
159.11687	1.3
163.11209	2.2
165.09019	1.2
165.12778	1.1
173.11746	19.3
175.11214	6.2
186.59839	1.1
193.12227	16.3
211.13252	1.7
229.14360	84.7
230.14574	1.9
249.14851	2.0
267.15915	78.4
268.16391	2.1
301.14160	1.3
316.57639	1.1
329.21130	2.2
347.22101	1.9
403.24808	11.2
421.25858	100.0
422.26248	2.5
463.27179	1.8
513.48157	1.2
547.29041	1.4
565.29742	1.8
668.35559	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	667.3301
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
50.36761	0.4
53.03948	1.0
55.01889	0.6
55.05512	1.9
57.03447	1.9
59.65353	0.4
61.02932	3.6
67.05505	4.7
69.03434	3.6
69.07069	1.2
70.47835	0.9
70.48206	0.7
71.01361	0.9
71.04967	1.1
73.02920	2.7
78.31249	0.4
79.05492	4.8
81.03419	5.8
81.07050	4.6
83.04958	2.3
83.08620	1.5
85.02914	4.5
91.03965	1.5
91.05481	4.1
93.07049	5.5
95.04981	2.9
95.08614	2.2
97.02909	3.8
97.06556	1.3
97.10193	1.5
98.20795	0.4
98.21342	0.5
99.04471	1.6
99.08135	0.5
101.02389	1.5
105.07024	3.6
107.04955	1.2
107.08590	2.9
109.02874	0.9
109.06555	0.8
109.10162	1.5
111.04455	0.6
111.08109	0.7
115.03939	0.5
115.05450	0.4
117.07070	0.7
119.08582	2.9
121.06520	0.8
121.10155	1.5
123.08071	0.7
123.11722	0.4
125.09647	0.9
127.03950	1.2
129.07016	1.0
131.08578	1.1
133.10165	1.8
135.11703	4.2
137.09601	0.5
141.90187	0.4
143.08627	0.4
145.02882	0.4
145.10153	1.0
146.03790	0.4
147.11726	0.9
149.09586	0.4
149.13315	0.5
157.10155	0.9
159.11801	0.5
163.11134	1.0
171.11723	0.7
174.04138	0.5
175.11186	0.9
177.05473	0.8
181.12303	0.8
193.12338	0.9
203.05188	0.4
211.13177	0.7
221.11496	0.8
227.12912	0.5
243.08452	1.5
251.12746	1.1
255.15851	0.9
278.54785	0.4
359.03925	0.4
439.19479	9.2
469.20444	4.1
638.10919	0.4
667.33008	100.0
668.33466	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
53.04860	1.5
55.01850	5.9
55.05510	16.7
56.00875	1.6
57.03431	12.4
57.07050	2.2
61.02915	2.4
65.03930	1.7
66.53494	1.7
67.05170	2.8
67.05502	36.0
69.03429	19.2
69.07063	17.1
71.04972	7.3
71.58112	1.6
72.24005	1.6
73.02888	2.8
79.05495	38.6
81.03419	100.0
81.07061	37.5
82.03723	2.4
83.04982	20.1
83.08624	16.2
84.40871	1.8
85.02907	20.8
85.06515	4.1
85.49593	1.6
91.04966	2.7
91.05480	33.7
92.92906	1.7
93.07047	31.1
95.04980	25.8
95.08604	21.5
97.02886	12.7
97.06535	8.7
97.10128	6.5
99.04436	4.9
99.08091	2.2
105.07033	26.9
107.04942	8.0
107.08602	16.8
109.02879	19.5
109.06467	5.4
109.10168	8.5
109.91512	1.9
111.04436	12.5
111.08057	8.0
115.05366	1.8
117.06978	6.9
119.04941	2.0
119.08578	26.4
121.06529	8.4
121.10156	15.2
123.08037	6.0
123.11646	2.0
125.09592	3.9
127.03909	9.7
129.07040	10.2
131.08595	11.8
133.06493	4.8
133.10130	14.5
135.08035	3.6
135.11700	10.4
135.12566	1.6
137.05945	2.8
137.09560	3.4
142.07745	2.9
143.08507	6.8
145.06447	3.2
145.10086	6.0
147.04395	2.0
147.08055	2.6
147.11703	11.6
149.05959	2.6
149.09561	3.6
157.10117	10.9
159.11688	2.5
161.09607	2.7
163.11151	4.7
165.05458	1.8
165.12703	3.7
169.46306	1.7
173.04460	3.1
175.11153	8.0
175.14783	5.7
181.12199	4.0
185.13264	4.0
191.10751	3.0
193.10626	2.6
193.12253	24.6
203.14323	2.2
211.13315	31.9
221.15376	31.2
227.12650	3.6
229.14404	2.0
239.16415	38.7
255.15770	3.5
267.15921	13.4
273.14801	2.2
285.16779	6.5
295.18939	5.3
301.14148	3.0
313.20047	6.6
319.15198	2.5
329.17090	2.8
337.19916	2.3
355.17383	3.9
356.10291	2.0
365.84460	2.0
383.20367	2.4
393.18668	2.5
395.25705	3.0
411.19675	3.3
413.26904	3.3
439.19113	6.7
457.23941	2.0
469.20410	3.3
487.30261	7.3
505.31808	13.1
523.32587	13.7
547.31573	2.2
613.33716	2.6
624.00916	1.9
649.35577	13.7
667.33350	87.7
668.33698	2.4
675.35480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42406	0.4
53.03936	0.8
55.01874	0.9
55.05520	2.5
57.03428	1.4
61.02930	3.0
62.64634	0.5
64.24982	0.4
65.03948	0.5
65.97597	0.4
67.05504	8.3
69.03436	2.6
69.07063	2.9
70.07959	2.0
70.08323	0.7
71.04986	1.4
73.02920	2.0
79.05498	3.9
81.03419	2.9
81.07063	7.3
83.04995	1.2
83.08605	1.4
85.02907	4.3
85.06564	0.5
87.04498	0.5
90.58543	0.5
91.03951	1.8
91.05473	2.7
93.07039	5.8
95.04985	0.8
95.08596	2.3
97.02907	4.1
97.06534	1.4
98.21410	0.7
99.04445	1.1
101.02393	1.1
105.07034	1.8
107.04967	0.5
107.08600	3.4
109.02873	1.1
109.06521	0.5
109.10175	2.1
111.08112	0.7
117.07054	0.4
119.08593	1.1
121.10175	1.8
127.03973	1.8
129.05536	0.6
131.08583	1.3
133.10135	1.3
133.57773	0.5
135.11736	1.2
145.02760	0.5
145.05051	0.6
145.10132	0.7
147.11742	0.8
149.13214	2.4
159.11729	1.5
173.11745	0.7
177.12827	0.8
195.13928	0.8
227.12775	0.5
235.13115	1.7
243.08348	2.4
269.17511	0.8
275.05484	0.4
275.20102	1.4
291.15726	0.9
315.51752	0.5
338.77872	0.5
349.23459	0.4
360.29681	0.6
422.79245	0.5
453.20932	14.7
472.05008	0.5
473.59027	0.5
647.37769	0.7
665.35059	100.0
666.35577	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	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02963	0.6
53.03944	1.6
55.01874	1.3
55.05515	2.2
57.03428	1.3
60.23694	0.7
61.02920	3.6
65.51447	0.6
67.05508	9.3
69.03425	2.7
69.07059	1.7
70.69714	1.3
70.70084	1.3
71.04991	1.1
73.02923	3.3
73.03247	0.6
76.62763	0.6
79.05505	4.1
81.03425	3.7
81.07059	9.2
83.04987	1.3
83.08604	1.5
85.02905	4.8
91.03956	2.8
91.05478	4.2
93.07040	5.3
95.04942	1.2
95.08586	3.5
97.02900	4.2
97.06535	2.1
99.04448	0.9
101.02390	1.2
105.07046	3.1
107.08596	3.6
109.02877	1.2
109.10174	3.3
117.01279	0.6
119.08594	2.1
121.10162	2.3
123.04395	0.7
123.08051	1.0
125.09650	0.8
127.03931	1.9
131.08586	1.9
132.59253	0.6
133.10123	2.5
135.08051	1.4
135.11757	1.6
136.38725	0.7
145.10181	0.7
149.09639	0.9
149.13274	2.1
159.11699	1.8
165.12782	0.6
171.11707	0.9
189.11337	0.8
195.13890	1.1
212.36034	0.6
235.13104	0.9
243.08426	1.6
269.17575	1.3
270.66064	0.7
275.20135	2.2
349.23947	1.1
355.17560	0.6
453.20953	13.2
503.33740	1.6
603.04529	0.9
647.37433	1.5
665.35065	100.0
666.35425	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3895
Annotation	Paradrymonoside
Peak:m/z	Relative Intensity
53.03951	0.6
55.05508	1.4
57.03443	0.5
57.07059	0.5
59.04994	0.4
65.03892	0.3
67.05502	1.5
69.03436	1.6
69.07062	2.3
70.52492	1.1
71.05000	0.7
79.05498	1.9
81.03415	0.4
81.07065	3.8
83.04982	2.0
83.08602	0.9
83.68324	0.3
85.02896	1.8
85.06544	0.6
91.05473	2.8
93.07041	4.5
95.04971	1.4
95.08611	7.3
97.02885	0.8
97.06538	1.5
98.20943	0.5
101.55902	0.4
105.07032	11.7
107.05003	0.5
107.07887	0.4
107.08596	7.0
109.02854	0.8
109.06526	1.1
109.10151	2.3
111.08074	0.7
117.07055	0.8
119.08581	11.6
121.06506	1.5
121.10145	6.3
122.09659	0.7
123.08067	1.6
123.11652	0.8
125.09594	0.9
127.03957	0.6
128.06219	0.6
129.07031	0.7
130.07831	0.5
131.08559	4.1
133.06474	0.7
133.10136	6.5
135.08078	1.3
135.11732	1.9
137.05992	1.1
137.09641	1.4
139.07521	0.5
141.06960	0.7
142.07774	0.4
143.08580	3.0
145.05002	0.4
145.10118	6.0
147.04407	0.5
147.08040	1.5
147.11684	4.0
149.09602	2.6
149.13286	1.3
151.07532	0.7
153.01863	1.0
153.09111	0.7
155.08594	0.8
156.09418	0.7
157.10112	3.7
158.10895	0.8
159.08002	0.5
159.11690	4.2
161.09592	2.9
161.13287	2.9
163.03925	1.0
163.11205	1.6
163.14822	2.5
165.12823	0.5
167.07097	0.7
169.10138	0.9
170.10909	0.8
171.11682	2.5
173.09723	0.6
173.13268	6.5
175.11241	1.3
175.14816	6.8
177.16412	1.0
178.05020	1.7
183.11699	1.1
185.13319	3.2
187.11308	0.6
187.14859	3.3
189.12770	1.6
189.16391	10.5
191.14380	1.2
191.17987	0.5
195.11746	1.1
197.13278	1.6
199.11214	0.5
199.14821	3.0
201.12804	1.5
201.16452	1.0
203.14265	2.0
205.15999	0.5
207.13806	0.6
207.17456	0.4
209.13377	0.7
209.15393	0.4
211.14861	1.1
213.12775	1.8
213.16394	1.2
215.14423	2.0
217.15858	5.5
219.13803	0.5
221.15382	0.5
223.14948	0.7
227.14330	0.4
227.17958	0.9
229.15886	1.1
229.19589	0.5
231.13881	1.7
231.17383	0.7
233.15369	0.8
235.16948	2.0
239.17953	0.5
243.17522	0.5
245.15324	0.6
249.14960	1.3
253.19566	1.0
267.16055	1.2
271.20526	1.2
279.21063	0.5
385.28931	0.5
391.29874	1.0
403.30164	1.9
421.31116	3.2
431.29553	0.8
437.30621	1.7
439.32083	1.9
449.30289	2.2
452.13568	0.4
457.33212	2.9
467.31680	5.2
485.32742	3.2
503.33688	100.0
504.33975	2.9
526.65002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26939	1.2
53.03931	3.3
55.01882	2.0
55.05519	11.2
57.03444	9.1
60.20902	1.0
63.21484	1.0
65.03933	1.9
67.05172	1.8
67.05514	31.5
67.12554	1.1
69.03419	1.7
69.07076	10.6
70.30095	1.1
71.01356	2.5
71.04977	3.3
71.45434	1.4
73.02873	1.2
79.05506	30.0
81.02974	1.9
81.03427	25.3
81.07061	22.0
81.81711	1.0
83.04992	12.8
83.08621	9.1
85.02935	6.2
85.06538	3.5
86.09715	5.7
89.80235	1.2
91.05489	21.2
93.07054	29.6
93.13540	1.2
95.04978	18.7
95.08619	8.7
95.72726	1.1
97.02918	2.7
97.06538	7.6
97.10174	6.3
105.07036	13.7
107.04943	4.9
107.08607	22.5
109.06514	4.2
109.10133	3.8
111.04420	1.3
111.08065	4.2
117.07025	3.6
119.08574	11.0
121.06526	1.8
121.10171	7.9
123.11703	1.2
124.99999	4.2
125.09621	1.8
129.06990	3.9
131.08554	5.4
133.06497	1.5
133.10138	9.3
135.08057	4.0
135.11707	28.1
137.09608	2.3
145.10156	6.1
147.07991	1.4
147.11746	6.4
149.09656	3.6
151.11191	4.1
157.10165	6.1
163.11305	5.9
165.12692	2.2
175.11177	7.2
181.12198	5.8
184.07367	17.3
185.07744	1.1
193.12244	14.7
199.13324	1.8
211.13298	14.9
255.15935	42.5
267.15942	14.1
285.17010	12.0
383.44919	1.1
447.27359	38.1
465.28494	100.0
466.28659	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	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01866	2.1
55.05285	1.9
55.05513	17.0
57.03440	19.6
61.02913	3.6
63.14600	1.5
65.03938	2.0
67.05166	2.7
67.05506	44.4
67.05869	2.2
69.03415	2.6
69.07072	12.5
69.23718	16.3
69.24046	2.3
71.01355	2.9
71.04984	5.6
79.05499	44.2
81.03420	59.5
81.07056	29.7
83.04984	14.7
83.08617	20.9
85.02906	18.8
85.06519	2.8
86.09689	2.1
91.03960	1.5
91.05484	33.8
93.07054	44.2
95.04964	22.7
95.08604	13.0
97.02895	4.5
97.06553	10.3
97.10165	9.4
97.69659	1.4
98.21603	1.5
99.08105	1.8
105.07024	19.4
107.04946	5.9
107.08598	26.6
109.06511	3.2
109.10150	3.7
111.04456	1.7
111.08099	9.3
115.05446	2.3
117.07004	2.9
119.08588	18.1
121.10150	9.1
123.08038	2.8
125.09624	2.2
129.07018	8.4
131.08556	8.4
133.10156	8.8
135.11699	36.4
137.09657	1.7
145.10133	8.5
147.11685	10.0
149.09613	4.6
157.10132	9.0
162.83322	1.6
163.11201	4.9
165.12781	3.1
167.07108	1.9
175.11198	14.0
181.12177	9.2
184.07344	6.9
193.12244	38.3
207.15495	1.7
211.13301	48.4
221.29593	1.7
249.14876	2.0
255.15915	71.4
256.16275	1.6
267.15958	23.4
285.16989	26.1
447.27396	66.3
448.27759	2.1
465.28488	100.0
466.28537	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	663.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65766	1.4
54.47863	1.5
55.01874	3.4
55.59457	1.4
57.03425	4.3
59.23792	1.3
61.02924	3.9
63.55632	1.6
65.03942	1.8
69.03433	5.6
70.57446	4.2
71.01360	3.9
73.02912	2.0
80.34717	1.4
81.03441	8.5
85.02937	9.7
92.52242	1.7
95.01327	2.8
97.02897	6.8
98.21324	2.2
103.03992	1.8
104.29282	1.4
105.03403	1.7
107.01343	2.7
135.00761	2.4
139.03947	2.3
151.03926	1.5
153.01859	2.9
161.02463	1.7
163.00246	9.9
173.02423	2.9
190.99785	4.0
201.01817	3.0
207.04472	3.0
209.00821	2.3
211.03979	2.0
217.97003	1.8
223.02275	3.7
223.04155	2.0
225.05580	1.8
229.01366	2.2
231.02695	1.7
233.05980	2.1
235.03963	2.2
237.05472	3.2
239.03448	2.8
241.04976	3.9
247.02321	2.8
251.03445	5.8
253.04971	7.2
256.04343	1.8
259.02423	3.8
261.05780	1.9
263.03467	3.2
265.04965	4.5
267.02945	3.7
269.04495	5.5
275.01642	3.9
279.03015	5.8
281.04367	8.7
291.02863	3.9
293.04599	3.1
295.02368	6.1
297.00632	2.0
297.03937	5.2
302.00604	3.4
303.01279	22.2
303.06506	2.0
305.04388	3.4
307.02414	11.3
308.03278	1.9
309.03970	7.4
311.02008	3.5
313.03488	7.4
315.01285	3.1
317.04318	3.1
319.02350	4.9
321.03894	3.8
323.01889	8.6
324.02408	1.8
325.03308	12.5
327.01373	3.2
327.04971	3.7
328.98969	2.3
333.03967	2.8
335.01877	10.6
335.05429	2.4
336.02692	4.2
337.03424	15.0
339.01379	5.8
341.03033	3.6
347.01846	4.9
347.05606	3.1
349.03394	3.4
351.01294	9.0
351.05063	2.5
352.02136	2.5
352.99091	2.1
353.02914	30.5
355.04297	3.0
357.03873	2.4
361.03458	3.7
363.01303	18.7
363.05225	3.0
364.01993	3.3
365.02930	14.3
367.04718	2.6
369.02386	3.2
373.03131	2.2
375.01224	4.2
377.02902	5.2
379.00656	15.9
379.04926	3.2
381.02505	22.9
382.02954	2.3
389.03003	3.4
391.00668	12.0
393.02435	12.1
395.04178	3.2
397.01898	4.3
401.02921	2.4
403.00565	3.8
405.02631	8.5
407.00244	7.1
407.04755	2.8
409.01953	28.5
411.03287	2.7
417.02365	4.3
419.00287	6.1
421.01627	17.7
423.03870	2.8
425.01276	3.0
429.02386	2.4
431.00381	5.2
433.01617	3.7
434.99130	10.6
437.01233	17.4
439.03336	3.7
441.04263	5.4
445.01761	2.6
446.99127	9.9
449.00919	10.2
457.01996	5.9
459.03482	3.4
461.01144	3.6
463.03372	2.0
465.00876	15.3
467.02414	3.0
469.03061	2.0
474.98773	3.5
481.04056	5.0
485.02142	3.8
487.02881	6.5
495.00995	2.0
497.02213	2.7
503.02707	2.8
505.03455	2.1
507.01883	4.8
513.01129	4.0
515.02710	4.2
523.04895	2.1
525.02814	5.5
527.04437	2.1
531.02191	3.8
559.01471	3.7
565.06049	2.7
583.06470	5.2
601.07813	9.0
609.05365	2.7
619.09766	7.6
627.05743	6.7
645.07239	100.0
646.07892	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	664.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01873	1.6
55.05513	8.0
57.03439	9.7
57.07067	1.7
59.05001	1.8
61.02913	3.2
63.00174	1.0
65.03931	1.7
67.05505	74.4
69.03431	2.1
69.07066	12.2
71.01356	3.0
71.04997	16.5
71.57799	1.5
71.58186	1.0
73.02905	0.9
79.05495	29.3
81.03424	7.0
81.07058	21.0
83.04980	7.3
83.08620	4.1
85.02898	3.1
85.06540	3.3
91.05489	16.1
93.07048	35.2
95.04958	4.1
95.08612	9.3
97.02914	1.4
97.06551	7.6
97.10178	8.6
98.21181	1.2
99.08118	2.1
105.07034	3.4
107.04982	1.2
107.08594	26.6
109.06537	1.0
109.10160	45.0
109.10924	2.1
111.08086	3.1
117.07008	3.2
119.08593	11.2
120.65194	0.9
121.06493	0.9
121.10133	5.1
125.09621	1.9
127.03898	1.5
131.08534	1.0
133.10118	4.3
135.11697	37.5
137.09596	5.8
145.10126	8.5
149.02322	3.5
149.03409	1.2
151.11278	1.2
163.11208	5.4
169.12143	1.6
173.11748	7.2
181.12239	7.3
184.07372	1.5
193.05008	2.0
237.07623	1.0
243.15771	1.2
255.15915	19.0
266.42670	1.2
287.18521	8.1
389.37759	0.9
409.25854	47.1
410.26431	1.5
423.27322	5.8
435.27454	100.0
436.27689	3.8
467.30063	27.1
664.37640	1.1
665.18353	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	664.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05296	0.7
55.05513	7.5
57.03182	1.0
57.03437	11.5
57.07076	23.7
59.04995	2.6
60.28683	0.6
61.02935	4.2
65.03925	1.1
65.40137	0.6
67.05503	63.2
69.03414	1.2
69.07076	5.4
69.68242	1.2
69.68647	3.3
71.04973	2.0
71.08633	17.4
73.02907	0.9
79.05482	2.1
81.07053	16.4
83.08139	0.8
83.08615	10.3
85.02916	3.9
85.06538	2.3
85.10183	10.4
89.06007	1.5
91.03938	1.6
91.05477	4.1
93.07059	3.3
95.08604	16.8
97.02874	2.6
97.10149	2.8
98.20991	2.1
103.07564	1.0
104.47781	0.7
107.08582	1.5
109.10155	69.8
111.08054	2.8
111.11730	0.9
119.08579	4.5
120.47121	0.6
121.10142	0.9
123.11684	2.8
136.22415	0.5
137.09607	2.7
137.13333	0.7
155.10680	3.6
173.10242	1.0
173.11736	19.5
180.41118	0.6
184.07407	0.9
186.79053	0.7
229.14351	100.0
230.14709	1.3
239.23737	1.4
257.24747	1.9
284.39706	0.6
298.27267	0.6
313.27353	78.5
314.27710	1.6
467.37314	58.2
468.37451	1.4
655.46967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05033	1.1
57.03432	0.2
58.06610	0.4
59.07378	0.2
60.08163	6.9
67.05496	0.8
69.07063	0.3
71.07373	3.6
71.70332	0.1
79.05490	0.5
81.03441	0.3
81.07052	0.8
83.04976	0.2
83.08636	0.3
85.02888	0.2
86.09705	31.5
91.05476	0.5
93.07031	0.6
95.08598	0.8
97.10149	0.2
98.21248	0.9
98.98464	3.7
103.26121	0.1
104.10740	2.9
104.11411	0.2
105.07021	0.2
107.08619	0.4
109.10151	0.2
119.08594	0.3
121.10156	0.4
125.00005	21.4
125.05982	0.2
126.00373	0.2
131.08575	0.2
133.10178	0.4
135.11757	0.3
137.05992	0.5
143.01031	0.3
143.67526	0.1
147.11691	0.2
151.17229	0.2
167.07030	0.2
184.07338	100.0
185.07721	0.6
193.12210	0.2
200.05420	0.1
255.15926	0.3
267.16040	0.3
347.10229	0.1
377.27194	0.2
447.31406	0.3
457.33209	0.2
465.28464	0.4
468.23499	0.3
569.42517	0.1
662.36584	8.2
663.37256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05038	0.8
57.03440	0.3
58.06613	0.3
59.07395	0.2
60.08167	6.3
67.05494	0.8
69.07057	0.4
70.51340	0.2
71.07381	3.8
71.30173	0.3
79.05501	0.6
81.03428	0.3
81.07057	0.9
83.08630	0.2
85.02901	0.2
86.09708	32.7
87.10046	0.2
88.14533	0.2
91.05470	0.7
93.07047	0.6
94.79407	0.1
95.04996	0.2
95.08586	0.5
98.98473	3.6
104.10749	2.6
105.07034	0.3
105.27218	0.1
107.08595	0.5
109.06443	0.3
109.10143	0.3
110.55560	0.1
119.08620	0.3
121.10165	0.3
125.00008	21.8
133.10146	0.5
135.11691	0.5
147.11682	0.2
151.11183	0.2
157.10170	0.2
161.13274	0.2
184.07346	100.0
185.07713	0.7
193.12288	0.2
255.16197	0.3
285.17084	0.2
447.26923	0.2
452.24149	0.3
465.28592	0.5
486.63245	0.2
662.36682	8.7
663.36530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05508	5.6
57.03442	2.7
57.07074	4.1
60.08149	2.7
65.03942	3.4
67.05510	11.6
69.03406	8.7
69.07067	9.8
69.37877	15.8
69.50900	1.9
70.25790	1.9
71.04987	2.8
71.07383	2.1
75.30318	2.2
79.05485	8.7
81.03423	10.3
81.06640	2.6
81.07063	26.3
83.04963	2.8
83.08616	5.3
85.02907	9.1
85.06547	4.7
86.09707	13.1
87.10016	2.3
91.05489	5.5
93.07034	8.8
95.04973	5.3
95.08607	23.2
97.02883	5.7
97.06525	3.2
97.10162	4.5
98.98461	2.1
104.10751	2.0
105.07012	8.3
107.04942	6.6
107.08608	9.7
109.02864	6.6
109.06557	2.2
109.10154	15.0
111.08077	2.2
111.11680	1.9
119.08580	5.4
121.06491	4.5
121.10188	9.2
123.04420	3.2
123.08058	3.5
123.11696	7.3
125.00016	13.0
125.02364	1.9
125.05946	2.3
125.09608	2.4
127.03958	9.1
131.08583	3.1
133.10124	6.4
135.11687	8.1
137.05997	3.1
137.09628	2.3
137.13269	3.9
139.03926	3.2
139.07530	2.5
139.11102	2.3
143.03401	5.7
145.10100	2.6
146.72612	2.1
147.04417	2.5
147.11676	3.4
149.05939	2.8
149.13280	3.4
151.07565	5.3
151.14822	1.9
153.01834	100.0
153.31586	1.8
154.02177	2.9
155.07024	2.0
158.56065	1.8
159.11647	3.4
161.09634	6.9
163.03860	2.6
163.14755	2.4
165.09076	5.0
167.07053	30.8
171.02899	11.5
171.11638	2.5
177.05466	3.2
179.06990	3.4
181.04921	7.2
184.07339	48.7
185.07661	7.2
189.09171	2.3
193.12178	2.5
209.08078	4.9
217.08554	2.3
219.06389	2.1
225.11169	2.0
233.08072	8.0
251.06583	1.9
293.28271	4.6
297.06012	4.9
311.29443	2.7
315.07074	19.3
353.10193	4.0
385.12634	5.1
417.15918	2.4
427.32010	3.1
445.33017	7.2
463.33994	5.8
481.35156	8.3
499.36224	2.7
533.35150	1.9
611.86206	1.9
661.33936	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	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.4
57.07067	4.8
60.08158	2.4
65.03947	2.8
67.05511	11.0
69.03423	7.6
69.07069	11.4
71.04979	2.3
71.41216	3.2
79.01824	1.8
79.05505	10.9
81.03420	11.5
81.07057	26.1
83.04970	2.0
83.08634	8.8
85.02908	6.9
85.06522	3.1
86.09692	8.2
91.05470	7.8
93.07056	10.2
95.04926	4.1
95.08612	23.6
97.02884	5.9
97.06518	4.5
97.10133	2.9
99.08064	2.7
103.05470	3.1
105.07032	10.0
106.04170	3.5
106.96086	1.6
107.04932	5.1
107.08591	8.6
109.02865	8.3
109.06525	4.3
109.10157	15.6
111.04401	2.0
111.08133	2.3
111.11678	2.6
119.04950	2.8
119.08554	3.5
121.06524	4.8
121.10145	6.2
123.04432	2.2
123.11707	9.2
125.00036	3.6
125.02345	3.7
125.06015	3.2
125.09618	2.2
127.03960	9.2
129.75195	1.8
131.04919	2.4
131.08527	2.8
133.06482	2.3
133.10139	6.9
135.08061	4.4
135.11685	6.6
137.05949	4.5
137.13228	4.5
143.03384	4.0
145.06508	3.2
145.10176	3.5
147.04407	2.6
147.11710	3.0
149.05989	6.2
149.09549	2.2
149.13249	4.0
151.03876	2.0
151.07547	7.0
151.14801	3.4
152.04739	2.0
153.01837	100.0
153.05440	4.4
153.09140	2.3
154.02177	2.9
159.08022	3.1
161.06068	2.5
161.09616	3.1
161.13161	3.2
163.11221	2.2
167.07053	32.3
171.02901	8.0
171.06488	2.4
177.05452	6.8
177.09406	2.0
179.06927	3.0
181.04968	22.1
181.08649	4.4
184.07361	23.0
185.07681	2.0
191.07013	4.2
191.10591	2.1
193.08633	2.6
200.04660	3.3
203.07086	2.0
205.08704	3.1
209.08118	11.0
221.08109	2.9
233.08086	12.1
252.07179	2.0
263.09192	3.8
265.08536	2.6
281.28323	2.6
293.28323	5.5
297.06195	3.9
308.95093	2.0
311.29239	2.3
315.07129	20.3
353.10144	6.8
358.10690	2.0
370.10449	2.3
385.12897	12.2
399.14603	1.9
411.14313	3.7
415.13687	3.7
417.15390	4.5
445.33411	2.5
463.34863	2.3
595.21289	5.2
651.40125	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	661.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
55.45289	1.7
57.07074	3.2
60.08162	3.5
61.49939	2.2
62.10044	2.1
63.82428	2.0
65.03925	2.2
65.41654	2.1
67.05510	11.8
69.03424	8.4
69.07076	14.7
71.04978	2.2
71.07339	2.8
71.08826	5.8
79.01879	3.0
79.05491	9.8
81.03409	7.6
81.07059	22.1
83.04976	2.5
83.08620	5.6
85.02882	9.3
85.06564	5.0
86.09707	15.3
87.10038	3.3
91.05481	8.6
93.07046	8.8
95.04962	4.5
95.08618	25.5
97.02901	4.3
97.06544	2.9
97.10151	3.3
98.98481	2.4
99.04455	2.8
105.07047	8.3
107.04939	7.6
107.08594	9.3
109.02865	8.6
109.10149	14.2
111.11729	6.2
112.91038	2.3
115.05454	2.2
117.07034	3.5
119.08556	7.4
121.06513	4.6
121.10141	9.1
123.04415	4.5
123.11706	10.5
125.00024	9.9
125.02377	4.5
125.06051	2.2
125.09647	3.7
127.00353	2.1
127.03888	10.7
131.08521	3.6
133.06569	2.2
133.10139	6.8
135.08044	3.2
135.11722	5.2
137.05988	4.3
137.13229	4.6
139.03943	2.5
139.07582	3.1
143.03436	3.1
143.08565	2.5
145.06490	2.5
147.07991	3.1
147.11707	3.0
149.05942	3.3
149.13264	7.6
151.07550	7.8
153.01839	100.0
157.10193	2.1
159.11758	2.6
161.09581	5.1
161.54269	1.8
163.07591	2.8
163.14816	3.8
165.09103	5.3
165.16296	2.2
167.07053	28.0
171.02872	9.5
177.05461	4.2
181.04974	10.7
184.07373	48.1
185.07666	8.4
189.09180	4.8
207.10152	5.4
207.13814	2.0
209.08115	5.4
233.08099	7.1
293.28391	4.3
297.06067	4.6
311.29486	4.8
315.07077	22.8
353.10040	5.7
354.10513	2.4
357.10565	2.3
370.10083	2.5
385.12866	8.3
411.14456	2.4
417.15350	4.4
427.32196	3.2
463.34402	6.6
481.35178	8.9
499.35852	2.9
595.21362	2.7
661.33398	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03431	0.5
61.02924	0.5
65.03939	0.9
69.03429	1.9
73.02911	0.4
77.63161	0.4
81.03426	0.9
81.07046	0.4
85.02897	3.1
87.04426	0.4
92.05003	1.3
95.40795	0.4
96.08127	1.5
97.02889	1.4
103.41371	0.4
109.06526	0.4
117.45800	0.4
120.04429	0.5
122.06071	0.5
124.07615	2.5
126.09163	5.8
127.03914	0.8
138.05516	0.4
138.09161	1.9
146.09802	0.4
148.03917	0.9
150.05533	0.6
152.07077	15.2
153.01872	0.4
164.03448	0.9
166.05005	27.5
176.03450	4.6
178.05031	0.6
182.04497	5.6
184.09944	0.5
194.04468	3.7
198.07878	0.7
199.08661	1.4
200.10719	1.1
209.10838	0.5
211.08699	0.5
211.12437	0.6
212.09399	1.4
213.10287	0.5
215.08018	0.5
225.10330	0.8
227.08217	0.8
227.11768	3.4
228.10223	1.1
229.13304	0.8
230.08157	0.5
233.09256	1.7
237.10300	0.5
239.08270	0.7
240.08826	2.4
241.09647	1.4
243.11224	0.9
244.08429	0.4
245.09180	0.9
253.09756	3.0
255.11249	3.3
257.09265	1.6
257.12805	1.0
259.07138	1.3
261.12347	1.7
270.09885	0.9
271.10809	8.2
272.09113	1.1
273.08862	0.6
273.12277	2.2
277.03076	0.5
277.79266	0.5
283.10770	31.6
284.11279	0.6
285.12183	0.6
288.11047	1.1
289.11780	4.3
291.13052	0.4
301.11838	23.2
303.01373	1.3
319.12881	100.0
320.13324	2.2
337.13956	0.6
338.18234	0.4
481.18176	10.9
490.92346	0.4
516.23090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
61.02922	0.7
63.62914	0.3
65.03947	0.7
69.03436	2.7
70.03835	1.2
71.04513	0.3
71.04984	0.7
73.02887	0.4
79.05496	0.6
81.03414	0.9
81.07063	0.5
85.02919	3.5
92.04982	1.5
96.08107	1.4
97.02867	1.4
98.21158	0.9
109.02811	0.4
110.06043	0.4
120.04488	0.5
122.06010	0.5
124.07581	2.2
126.09160	6.9
127.03924	1.0
134.05942	0.4
138.05516	0.7
138.09128	2.1
148.03960	0.6
150.05476	0.7
150.09102	0.6
152.03467	0.5
152.07076	13.5
153.01805	0.6
164.03461	0.6
166.05005	27.8
167.05290	0.7
168.06696	0.4
176.03453	4.7
178.04958	0.3
182.04491	5.0
184.10001	0.4
194.04485	2.6
198.07806	0.8
199.08560	0.7
199.12415	0.5
200.10704	0.9
209.10710	0.5
212.09506	1.5
213.10184	0.4
215.08083	0.9
225.10262	1.3
225.50276	0.3
226.08833	0.4
227.08186	0.5
227.11749	3.9
228.10182	1.2
229.13411	0.9
230.08115	0.7
233.09204	1.9
239.11523	0.6
240.08795	2.3
241.06404	0.5
241.09714	0.8
242.10487	0.8
243.11333	0.6
244.08263	0.6
245.09055	0.8
245.12885	0.4
253.09698	3.8
254.08177	0.7
255.08374	0.5
255.11279	3.3
256.09781	0.4
257.09201	2.0
257.12897	1.1
259.07098	2.5
261.12415	2.6
265.09677	0.5
270.10019	1.2
271.08057	0.7
271.10803	8.3
272.09140	1.1
273.08734	1.1
273.12299	2.0
283.10776	32.4
284.11127	1.1
285.12283	0.8
288.11090	1.3
289.11859	3.8
297.66980	0.4
301.11832	24.2
302.12051	0.5
303.01376	0.4
319.12885	100.0
320.13235	2.7
361.14474	0.4
463.17316	0.5
466.59445	0.3
481.18161	11.4
541.37451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67072	0.6
53.03955	1.7
55.01892	0.6
55.05512	5.8
56.05855	0.6
57.03441	4.0
57.07076	1.1
57.64438	0.6
61.02921	2.9
63.44192	0.6
65.03946	1.2
67.05507	27.5
69.07073	9.8
71.04990	2.6
71.46541	0.6
71.56346	1.1
73.02913	1.3
79.05496	19.2
79.77319	0.6
81.03429	2.6
81.07061	39.0
83.05006	3.2
83.08627	9.6
85.02907	3.2
85.06544	2.1
86.09734	1.6
91.03978	1.0
91.05483	13.4
93.07049	30.2
95.04976	3.7
95.08607	11.2
97.02889	1.5
97.06532	5.1
97.10182	1.4
98.21319	0.6
99.08105	1.1
105.07046	6.7
107.04918	0.6
107.08604	14.5
107.09293	1.1
109.06548	2.4
109.10175	2.8
111.08108	3.4
117.07030	6.0
119.08574	4.8
121.06509	1.5
121.10145	9.1
123.08063	0.7
123.11714	2.0
125.09676	1.1
127.03983	0.9
129.07040	1.7
131.08597	7.1
133.10135	8.1
135.08061	1.4
135.11707	6.1
141.06990	0.8
143.08588	1.0
145.10162	3.0
146.03467	0.7
147.11723	1.5
149.09662	0.9
149.13264	12.0
151.11195	0.8
155.08565	1.2
155.66711	0.6
157.10167	1.2
159.11688	6.9
169.10172	0.9
171.11739	1.0
177.12787	3.1
183.11650	1.0
184.07382	5.0
195.13785	8.5
197.13364	0.9
213.14832	1.5
251.16504	2.2
269.17487	29.8
353.24573	1.9
371.25943	1.2
381.86682	0.7
389.26801	1.0
427.28369	1.1
445.29462	12.4
463.30563	100.0
464.31006	4.3
481.31586	0.9
607.34564	2.7
649.68524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01871	1.0
55.05516	5.9
57.03441	6.5
57.07083	1.1
60.49860	0.6
61.02917	2.2
62.39747	0.6
65.03948	0.8
67.05508	30.1
69.07071	10.2
70.82326	1.7
71.04993	2.0
73.02924	0.9
79.05061	1.2
79.05499	17.9
81.03410	2.1
81.07061	42.7
83.04995	3.3
83.08620	8.5
85.02889	2.2
85.06538	2.3
91.03950	1.1
91.05486	10.3
93.07050	29.6
93.54569	0.6
95.04969	2.9
95.08601	10.3
97.02897	1.1
97.06531	6.3
99.08095	1.0
105.07060	3.5
107.08594	15.7
109.06512	1.7
109.10166	1.7
111.08070	3.9
117.07018	4.6
119.08564	1.5
121.06502	1.4
121.10162	9.8
123.11727	2.3
127.03915	0.9
131.08578	5.1
133.10130	6.1
135.11676	5.1
137.52718	0.6
149.02295	0.9
149.13261	15.8
151.11310	0.8
159.11690	5.9
167.14363	1.2
177.12755	2.6
183.37540	0.7
184.50777	0.6
194.05336	0.9
195.13820	8.2
206.67326	0.6
213.14862	1.6
219.40877	0.7
247.76770	0.6
251.16537	0.9
256.26334	1.1
257.26813	0.9
269.17480	47.3
270.17917	1.5
429.81122	0.8
435.76901	0.7
445.29700	0.9
463.30563	100.0
464.30936	4.8
521.76886	0.8
607.34906	0.8
660.36566	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	661.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46125	0.3
57.03424	0.6
57.67189	0.3
61.02919	0.6
64.84714	0.3
65.03923	1.0
69.03435	2.2
70.53286	0.6
70.53629	0.4
79.05486	0.5
81.03403	1.0
81.07049	0.5
85.02904	3.3
92.05009	1.5
96.04479	0.3
96.08129	1.8
97.02883	1.7
109.02866	0.4
109.06526	0.6
122.06014	0.7
124.07611	2.5
125.08347	0.3
126.09158	6.0
127.03963	0.7
138.05525	0.6
138.09135	2.3
145.04938	0.4
147.57562	0.3
148.03905	0.7
150.05513	0.4
152.03455	0.7
152.07074	12.4
158.09616	0.4
164.03412	0.8
166.05003	27.0
167.05408	0.3
176.03441	4.4
177.09599	0.3
182.04521	5.1
184.09929	0.4
194.04485	3.3
198.07840	0.6
199.08656	0.9
199.12292	0.4
200.10709	1.1
209.10730	0.7
211.08672	0.5
212.09290	1.4
213.10315	0.4
215.08195	0.8
217.13292	0.6
225.10278	1.0
226.10870	0.4
227.08150	0.8
227.11801	2.8
228.10298	1.3
229.06038	0.3
229.09782	0.3
229.13335	0.8
230.08174	0.7
233.09142	1.2
237.10268	0.3
240.08806	1.9
241.09717	0.9
242.10480	0.6
243.11295	1.3
245.09198	0.9
245.12856	0.4
253.09691	3.1
254.08150	0.3
255.07851	0.3
255.11259	3.3
257.09186	1.9
257.12857	1.1
258.11572	0.4
259.07172	2.0
261.12326	2.3
265.09833	0.4
270.10037	1.2
271.10788	8.6
272.09122	0.8
273.08746	1.0
273.12332	1.8
277.03458	0.5
283.10782	30.2
284.11157	0.5
285.12317	0.5
288.11026	0.7
289.11826	4.1
289.92789	0.3
301.11829	22.7
302.12201	0.4
319.12885	100.0
320.13171	2.3
337.13760	0.6
481.18161	10.4
482.18500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82554	0.6
53.03938	1.5
54.36086	0.7
55.01863	1.9
55.05510	8.1
57.03445	6.9
57.07074	1.9
61.02927	3.3
65.03945	1.1
67.05508	34.2
67.26225	0.6
69.03425	0.8
69.07073	11.2
70.06599	1.0
70.11140	1.7
70.11540	1.0
71.04996	3.3
73.02921	1.1
79.05499	20.0
81.03432	2.1
81.07061	46.2
82.07390	0.7
83.04990	3.1
83.08624	10.0
85.02898	2.9
85.06544	1.9
88.07639	1.6
91.03935	1.6
91.05480	11.9
93.07051	32.5
95.04948	3.5
95.08605	10.2
97.02883	2.1
97.06533	6.5
97.10179	0.9
99.08088	1.9
102.09155	0.7
105.04484	0.7
105.07021	4.7
107.08604	17.8
109.06531	1.7
109.10172	1.8
111.08082	3.9
117.07027	4.1
119.08588	1.2
121.06525	1.4
121.10152	10.0
123.11694	2.8
131.08578	4.4
133.10164	7.0
135.08058	1.3
135.11697	5.3
142.83958	0.6
144.41293	0.6
149.02367	1.0
149.13266	17.2
150.02792	0.7
151.11227	1.0
159.11702	7.8
177.06898	0.6
177.12776	4.5
182.72134	0.7
193.04982	1.3
194.05212	0.9
195.13800	7.4
196.14221	0.9
213.14960	2.0
213.78789	0.6
230.71347	0.6
251.16312	0.9
256.26468	1.5
257.26767	1.7
262.22562	0.7
269.17490	50.5
270.17682	1.6
281.19995	0.7
336.26416	0.8
430.11975	0.8
463.30576	100.0
464.31036	3.7
512.80200	0.7
604.10028	0.8
660.36609	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	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
54.39243	0.5
55.01867	1.4
55.05512	6.8
57.03441	7.5
57.07070	1.2
61.02919	2.0
65.03927	1.0
67.05507	37.0
68.05828	0.5
69.03429	0.6
69.06716	0.7
69.07072	13.6
69.07644	0.5
71.05004	3.5
73.02904	0.6
79.05495	21.3
81.03416	1.5
81.07059	48.6
83.04979	4.4
83.08625	9.0
85.02896	1.7
85.06539	2.5
85.53944	0.4
88.27183	0.4
91.05486	12.2
91.78792	0.4
93.07047	38.9
95.04985	3.6
95.08611	12.3
95.09228	0.6
97.02873	1.1
97.06535	6.6
97.10175	1.3
98.21124	2.3
99.08106	2.5
105.04527	0.4
105.07036	4.4
107.08596	17.9
108.08945	0.5
109.02859	0.5
109.06537	1.2
109.10146	1.9
111.08080	5.4
111.11729	0.5
113.09657	0.7
117.07029	5.1
119.08592	1.9
121.06484	0.6
121.10152	13.3
123.08041	0.6
123.11708	1.7
131.08578	5.6
133.10143	6.5
135.04956	0.6
135.08075	1.0
135.11691	5.9
139.11172	1.2
147.11719	1.3
149.09740	0.5
149.13266	23.5
151.11186	0.7
159.11690	8.6
167.14279	1.0
177.12779	4.3
195.13821	8.2
213.14903	0.9
251.16699	0.5
253.14447	0.8
269.17484	56.0
270.17886	1.2
377.57910	0.5
463.30569	100.0
464.30887	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	660.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01876	4.8
55.05307	1.2
55.05516	12.5
57.03192	1.3
57.03442	13.7
59.05001	2.0
60.08147	1.8
61.02925	1.7
67.05174	1.7
67.05508	25.8
69.07071	10.3
69.54703	2.6
69.55125	4.6
71.01355	2.5
71.04986	4.3
71.07374	1.4
79.05061	1.8
79.05499	28.8
81.03427	9.2
81.07063	20.9
83.01344	4.3
83.04987	8.9
83.08627	6.3
85.02904	3.2
85.06544	2.6
86.09715	11.8
91.03955	1.2
91.05480	14.3
93.07048	39.9
94.42748	1.1
95.04970	6.2
95.08630	8.1
97.02875	1.9
97.06536	8.2
97.10171	6.8
98.21143	3.4
98.98476	1.3
99.04413	1.3
99.08089	1.1
104.10752	1.1
105.07031	7.5
107.04979	6.1
107.08594	22.6
109.06515	4.2
109.10144	3.4
111.04459	1.7
111.08079	2.7
117.07025	6.4
119.08595	7.5
121.06528	2.6
121.10155	7.2
121.76856	1.1
123.08054	4.5
125.00020	6.6
125.09642	1.3
130.07768	2.0
131.08565	2.9
133.10126	3.1
135.08096	2.1
135.11700	36.7
137.09636	1.2
143.08542	1.0
145.10135	11.2
147.11693	1.5
153.12744	3.2
159.11688	1.1
163.11198	15.4
173.09628	2.5
181.12263	7.8
184.07347	35.1
191.10703	2.7
206.12161	0.9
209.11729	4.4
227.12759	2.3
247.91420	1.3
255.15921	58.5
260.31949	1.1
265.14282	2.0
269.17450	2.0
283.15421	37.1
283.18515	2.2
314.68359	1.0
445.25482	1.8
449.13159	1.1
463.26804	100.0
464.27005	3.2
660.35284	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	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24453	0.7
53.03944	1.7
55.01865	0.9
55.05505	3.5
57.07064	2.2
62.74810	0.5
67.05509	5.8
69.03437	4.1
69.06772	0.7
69.07077	8.1
71.02944	1.2
71.03296	1.0
71.05009	1.2
71.08630	1.7
79.01848	2.1
79.05486	3.9
81.03427	5.4
81.07060	16.7
82.07437	0.5
83.04973	1.3
83.08626	5.2
85.02890	4.7
85.06554	0.8
86.09703	0.9
91.05503	2.8
93.07049	9.1
95.04958	1.5
95.08610	17.7
97.02896	3.6
97.06532	0.8
97.10172	2.7
99.04485	1.1
99.08082	0.7
100.95335	0.6
105.07041	4.8
106.52170	0.5
107.01311	2.2
107.08608	7.6
109.02895	5.6
109.10166	9.8
111.08017	1.3
111.11736	2.8
119.08581	2.9
121.10146	7.1
123.11716	7.6
124.99988	0.7
125.02375	4.1
125.09672	0.8
127.03942	6.7
127.11198	0.7
131.08537	1.0
133.10133	2.3
135.11697	5.6
136.41393	0.6
137.05972	0.7
137.09625	0.7
137.13251	3.8
139.07561	0.7
139.11194	1.1
143.03410	4.7
145.10143	1.2
147.11679	3.7
149.13271	4.4
151.07530	0.9
151.14836	1.3
153.01833	100.0
153.12732	0.6
154.02187	0.6
161.13286	1.8
163.14796	3.0
165.12778	1.2
167.07043	5.4
171.02879	10.7
177.05539	0.7
177.16360	1.7
179.06880	0.7
181.05008	1.6
183.13828	1.0
184.07341	3.5
188.92728	0.7
189.16341	1.1
191.17973	2.2
193.12305	0.8
203.17961	0.9
217.19553	2.1
226.10092	0.6
247.24251	1.1
267.15894	0.7
273.25848	4.4
279.05267	0.7
279.26733	0.7
291.26773	3.3
297.06113	4.6
309.27847	2.0
315.07092	16.2
379.92709	0.8
395.77679	0.6
444.15216	0.7
461.32492	0.8
463.11694	0.6
482.66260	0.6
500.11630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01872	20.7
55.05512	49.4
57.03431	15.9
57.07080	26.6
65.03944	3.6
67.05510	75.0
69.03416	4.3
69.07070	62.7
69.54308	22.8
71.04986	3.3
71.08636	15.9
73.02911	5.2
79.05502	41.5
81.03410	14.8
81.07061	86.3
81.34447	3.0
83.04990	7.0
83.08624	51.8
85.06540	5.6
85.10178	6.8
89.06064	3.7
91.05483	33.6
93.07050	60.4
95.04971	10.7
95.08609	39.6
97.06532	14.3
97.10197	25.1
98.21225	11.8
98.98470	100.0
99.08080	3.1
105.07035	19.1
107.05006	4.1
107.08611	26.6
109.06540	6.6
109.10176	17.0
111.08108	10.2
111.11726	4.5
117.07015	10.3
119.08593	9.3
121.06561	4.2
121.10143	23.9
123.08070	3.9
123.11697	9.5
129.07030	4.9
131.08565	18.7
133.10124	13.2
135.11725	17.9
139.11252	4.1
144.36337	3.8
145.10129	5.9
147.11693	4.5
149.13280	30.2
155.01045	74.7
159.11688	21.8
170.58783	3.6
173.02214	3.4
177.12747	36.2
195.13808	20.2
229.14328	4.9
230.14703	4.6
233.15520	4.9
237.22025	18.9
251.16446	55.2
269.17474	41.9
295.60968	3.4
311.25793	55.1
313.27283	9.3
314.27734	13.4
349.14175	25.3
405.16809	18.5
423.17749	18.1
447.25269	5.2
487.37665	9.0
505.38904	50.8
508.40576	7.3
659.24719	5.1
659.39380	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	658.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01869	2.2
55.05514	9.7
57.03434	11.7
57.07063	2.5
61.02924	2.5
61.99631	1.1
65.03931	1.4
67.05506	35.7
68.05826	0.8
69.03425	2.5
69.07064	12.7
70.06588	3.2
70.76105	2.6
71.01328	1.3
71.04988	3.5
71.42238	1.0
73.02915	1.4
79.05055	1.6
79.05499	24.7
81.03422	56.6
81.07059	42.5
83.04996	6.6
83.08627	18.3
83.09640	0.9
85.02915	3.5
85.06541	2.6
88.07633	3.0
91.03961	1.5
91.05476	17.4
93.07048	32.7
95.04976	16.9
95.08605	13.3
97.02882	2.8
97.06539	6.0
97.10191	2.0
99.08084	3.1
102.09170	1.4
105.07041	9.2
107.04980	4.9
107.08601	18.3
109.06545	2.8
109.10178	3.1
111.04430	1.1
111.08089	7.8
113.06075	1.0
117.06997	6.1
119.08582	9.8
121.06526	2.4
121.10159	14.4
123.08099	1.2
125.05923	0.9
125.09659	1.3
129.06992	6.7
131.08563	10.5
133.06522	2.1
133.10127	6.1
135.08040	2.4
135.11684	5.6
137.06039	0.9
137.09581	1.7
141.35660	0.9
142.07697	1.1
145.10094	1.1
147.08084	1.7
147.11647	5.7
149.02379	4.7
149.09613	2.8
149.13268	17.4
151.11113	1.1
157.10118	6.0
159.11656	6.1
163.11201	1.1
165.12807	1.1
175.11246	6.3
177.12775	3.6
193.05003	5.0
193.06744	0.8
193.12256	15.1
195.13774	5.6
211.76482	1.0
213.14793	1.3
237.07587	1.5
249.14818	1.1
256.26334	4.4
267.15924	58.0
269.17487	64.8
301.14398	1.5
301.35107	0.9
333.33041	1.0
338.87408	0.9
341.06714	1.3
359.07574	1.4
385.09116	2.9
393.69238	1.2
417.26254	1.3
428.61670	0.9
429.11737	3.9
435.27344	3.7
461.28998	100.0
462.29456	4.4
479.30032	1.1
503.30133	2.4
658.35889	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	658.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.7
57.07060	2.8
67.05499	2.0
69.07072	1.7
71.18670	2.0
79.05491	1.9
81.07047	4.9
83.39520	1.1
89.06020	5.1
89.59714	1.2
91.05480	9.8
93.07072	5.5
95.08588	2.5
98.20866	1.4
105.07011	2.3
107.04931	5.0
109.06538	2.7
109.10204	1.9
115.05487	1.1
119.04948	24.1
119.08551	1.9
120.05740	21.7
121.02914	1.7
121.06514	1.4
131.08583	1.7
131.40636	1.1
133.08582	3.3
137.05984	100.0
147.04414	19.2
149.05965	3.3
151.07536	3.2
165.05492	1.3
166.06201	3.2
167.07039	28.2
179.07047	59.5
226.10205	1.2
271.10132	1.0
285.11224	52.0
313.10724	21.2
345.13324	90.5
346.13425	1.8
462.33405	2.1
548.02661	1.2
574.54181	1.4
623.38672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12081	3.5
51.84535	3.3
53.03952	4.1
53.15656	3.4
55.01876	8.7
55.05516	28.9
57.03426	14.4
57.06871	3.6
57.07078	36.9
67.05166	5.3
67.05506	75.9
69.06774	3.4
69.07072	37.8
69.54419	5.4
69.54813	20.6
71.04974	4.7
71.08637	31.3
79.05489	36.9
81.03412	4.6
81.07061	58.9
83.08607	23.5
85.10172	9.4
89.06036	16.9
91.05483	24.6
93.07065	33.8
95.04982	5.6
95.08601	35.0
97.06528	5.9
97.10171	19.5
98.21227	13.2
98.98440	22.5
105.07032	23.5
107.04951	5.3
107.08570	23.2
109.06493	6.6
109.10166	44.6
111.08048	5.3
117.07012	8.5
119.08559	11.4
121.10139	12.9
125.09624	10.4
131.08559	10.5
133.07603	3.3
133.08598	8.2
133.10146	9.2
135.08061	5.7
135.11676	7.4
145.10136	7.1
147.11655	6.0
149.13251	11.1
154.44479	3.7
155.01019	15.5
159.11693	12.1
173.11775	7.6
177.11273	5.0
177.12723	12.6
195.13924	7.8
227.12767	16.0
229.14372	46.3
251.16458	9.8
257.18893	5.1
269.17514	28.9
275.20099	28.8
311.25870	7.6
313.27380	100.0
349.23773	15.1
367.24771	9.7
405.16403	5.3
459.27960	4.7
467.32303	3.6
467.37335	34.5
487.37457	4.3
505.38901	16.7
507.40506	40.2
587.46417	11.4
591.43884	4.2
605.47516	12.9
624.01416	4.2
675.65607	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	659.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03942	1.5
55.01867	0.6
55.05512	3.4
57.03424	0.6
57.07071	2.2
58.19448	0.4
61.92862	0.5
65.03923	0.6
66.79888	0.4
67.05510	7.2
69.03421	3.6
69.07070	6.5
71.04988	1.6
71.08633	1.3
79.01839	2.8
79.05495	3.9
79.29893	0.4
81.03415	4.9
81.06573	0.8
81.07057	15.8
83.01330	0.8
83.05000	0.9
83.08628	3.6
85.02908	4.5
85.06541	2.1
91.05489	2.9
93.07048	8.1
95.04948	1.8
95.08605	14.1
97.02901	3.2
97.06522	1.2
97.10167	2.4
97.18598	0.4
99.04446	1.0
99.08149	0.6
102.75928	0.5
105.07024	4.8
107.01309	1.4
107.04976	0.8
107.08597	6.3
109.02897	4.5
109.06503	1.0
109.10153	9.2
111.04451	0.4
111.08083	0.6
111.11742	2.3
117.06985	0.5
119.08591	3.7
121.06480	1.0
121.10146	6.6
123.08099	0.9
123.11720	6.1
125.02346	3.5
125.05978	1.1
125.09605	1.1
125.83877	0.4
127.03931	7.3
127.11196	0.7
130.55608	0.4
131.08601	1.1
133.10109	2.8
135.11696	4.8
137.02322	0.5
137.05969	0.7
137.09633	0.9
137.13284	3.7
137.97672	0.5
139.07561	0.7
139.11186	1.5
143.03395	4.4
145.04921	0.5
145.10139	0.9
147.04434	1.2
147.11690	2.3
149.09657	0.6
149.13252	4.7
151.07509	0.9
151.11131	0.8
151.14815	1.5
153.01834	100.0
153.12677	0.7
154.02171	1.5
161.09685	0.5
161.13286	2.2
163.11218	0.6
163.14859	3.0
165.09148	3.1
165.12724	0.9
165.16365	0.8
167.07039	5.3
167.14377	0.5
171.02890	9.1
173.13458	0.5
177.12805	0.8
177.16466	1.3
179.07021	0.5
179.14458	0.5
181.04906	1.0
183.13817	1.3
184.07344	2.4
189.16368	0.9
191.17918	1.1
193.08784	0.5
205.12325	0.6
207.10144	0.5
217.19623	1.8
273.25760	3.7
279.04956	0.8
279.26797	0.9
291.26843	4.3
297.06006	4.1
303.05008	0.9
309.27917	2.4
315.07095	14.3
315.10736	0.9
352.70068	0.5
443.31445	2.1
461.32742	1.1
478.40628	0.5
479.34143	0.8
497.34924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05510	4.8
57.03432	1.9
57.07078	4.7
61.02935	1.1
64.89307	0.5
65.03930	0.9
67.05505	8.6
68.63387	0.5
69.03430	6.7
69.07076	8.0
71.04992	2.1
71.11645	1.0
79.05489	6.2
81.03431	3.3
81.07056	18.1
83.01342	12.3
83.04965	0.7
83.08614	3.2
85.02415	0.9
85.02898	12.9
85.06550	3.2
87.04465	0.6
87.87654	0.6
91.05474	3.4
93.07047	8.8
95.04987	1.0
95.08607	14.0
95.25530	0.5
97.02890	5.5
97.06548	1.1
97.10172	1.0
99.04459	1.7
99.08083	0.6
101.73207	0.5
105.07027	2.7
107.04967	1.1
107.08592	7.2
109.02883	2.0
109.06519	1.5
109.10146	7.5
111.08083	1.3
111.11696	0.6
117.06983	1.0
119.04913	0.6
119.08586	2.0
121.06499	1.2
121.10150	5.4
123.11702	7.5
125.06004	0.7
125.09621	1.0
127.03918	3.1
127.11190	0.5
129.01848	3.9
129.07004	0.6
131.08551	1.0
133.06462	0.7
133.10141	1.2
134.92485	0.4
135.04417	8.4
135.08052	0.8
135.11679	4.0
137.05997	1.5
137.13240	2.7
139.03931	0.8
139.07510	0.6
139.11223	0.6
143.03543	0.5
145.05014	0.8
145.06535	0.6
145.10141	0.9
147.08044	2.4
147.11696	1.7
149.05972	0.8
149.13275	3.2
151.07574	0.8
153.01823	8.7
153.05450	5.6
157.05063	0.7
157.10141	0.8
159.11765	1.0
161.09599	0.9
161.13258	0.7
163.03940	1.5
163.07611	0.6
163.14828	1.3
165.09195	0.6
167.07047	1.7
169.04927	0.5
175.07677	0.6
175.11218	1.2
175.14835	0.6
177.09099	0.7
181.04962	25.8
183.06573	1.9
187.11205	0.8
189.09189	1.4
191.10623	0.7
195.04713	0.9
195.06534	20.2
199.06024	40.7
201.12900	0.5
203.10620	2.4
204.55699	0.5
205.19554	0.7
207.06523	3.3
209.08118	5.9
221.08125	2.4
222.07704	0.8
223.07634	1.0
223.09671	12.3
231.10187	1.2
235.07552	0.7
235.09651	3.5
237.11195	19.0
249.11234	24.7
251.12816	2.4
261.11264	1.1
263.12775	4.2
265.14508	1.3
275.12790	0.7
277.14395	1.9
277.25342	0.7
279.15973	0.7
289.14328	1.1
291.15869	2.5
293.17453	1.4
303.15872	1.5
305.17517	3.4
307.19086	0.7
307.26456	0.7
315.07025	0.7
315.15833	0.8
317.17590	1.2
319.19147	1.6
329.49734	0.5
333.20465	0.6
359.21976	0.6
365.14981	0.6
369.00858	0.6
375.25241	3.2
385.23795	0.9
403.24844	3.1
441.30002	4.3
459.31100	27.2
460.31494	0.7
477.32126	100.0
478.32455	2.8
495.33170	37.6
496.33932	1.0
556.08545	0.5
572.48444	0.6
639.37408	6.9
657.38495	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30167	0.5
55.01880	1.2
55.05513	4.0
57.03429	1.6
57.07083	4.1
61.02926	1.2
65.03953	0.7
65.92387	0.6
67.05505	8.9
69.03434	7.9
69.07066	7.7
70.88155	0.7
70.88494	1.0
71.04988	2.0
71.08622	0.7
79.01844	0.5
79.05492	5.6
81.03422	2.8
81.07061	20.6
83.01338	13.3
83.04991	0.9
83.08620	3.7
84.56574	0.5
85.02906	15.9
85.06545	3.9
91.05479	4.1
93.07045	9.7
95.04958	1.4
95.08606	15.1
97.02911	5.9
97.06544	0.8
97.10177	1.3
98.21163	0.9
99.04471	0.7
99.06128	0.6
99.08113	0.7
105.07053	3.4
107.04973	1.4
107.08597	8.0
109.02874	2.4
109.06523	2.4
109.10156	8.3
111.04477	0.9
111.08081	0.6
111.11766	0.8
117.82939	0.5
119.04959	1.0
119.08591	3.2
121.06511	0.8
121.10152	6.3
123.11715	6.7
125.05991	0.9
125.09629	0.7
127.03935	3.5
129.01831	3.3
131.08585	1.5
133.06490	0.8
133.10132	1.9
135.04407	7.7
135.08011	0.7
135.11673	4.3
137.05980	1.6
137.09624	0.8
137.13292	2.9
139.03944	0.9
143.03349	0.6
145.04926	0.6
145.10139	1.8
147.08028	2.0
147.11700	2.3
149.13239	3.8
151.07547	0.7
153.01834	10.6
153.02982	1.0
153.05476	4.6
153.12717	0.7
157.04984	1.9
159.11656	1.0
161.05872	0.6
161.09651	0.9
161.13295	0.7
163.03902	1.5
163.14883	0.6
165.09164	0.8
167.07060	2.5
171.02956	1.1
175.07545	0.6
175.11201	1.2
177.09090	0.7
181.04959	25.6
183.06578	2.0
187.11197	0.6
189.09160	0.7
195.06531	20.6
199.06027	39.2
201.13004	0.6
203.10771	1.4
207.06482	2.6
207.10336	0.9
209.08121	8.2
221.08093	2.2
223.09657	12.6
224.09482	0.9
231.10205	1.9
235.09622	3.5
237.11226	21.8
247.09673	1.0
249.11240	25.3
251.12852	2.1
261.11334	1.1
263.12802	4.4
265.14359	1.6
275.12631	0.7
277.14368	2.5
279.15909	0.6
289.14459	1.5
291.16022	2.2
293.17526	1.5
303.15982	1.4
305.17407	2.5
307.19025	1.0
307.26218	0.8
315.07227	0.8
317.17548	1.4
319.19067	1.4
375.25412	2.9
377.23212	0.7
385.23792	1.5
387.25644	0.9
403.24844	2.2
441.30078	4.6
451.04977	0.6
459.31070	27.7
462.43179	0.8
477.32144	100.0
478.32541	1.9
495.33194	36.0
496.33917	1.3
518.48541	0.5
639.37378	7.2
657.38391	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	658.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01864	1.5
55.05513	8.6
57.03435	7.4
61.02897	0.8
65.03934	1.1
67.05507	31.9
69.03414	1.4
69.07071	9.9
69.45670	4.1
71.01334	1.4
71.04974	2.7
73.02901	0.7
79.05497	40.3
81.03430	6.6
81.07060	24.2
83.04990	9.1
83.08632	4.0
85.02902	1.6
85.06536	2.6
91.05482	27.6
93.07047	41.2
95.04975	8.9
95.08611	11.2
97.02870	1.0
97.06528	7.1
97.10177	5.1
98.21323	2.8
99.08035	1.4
105.07033	17.5
107.04927	3.2
107.08597	18.4
109.06511	2.8
109.10140	4.2
111.08083	2.7
117.07024	5.0
119.08574	9.2
121.06480	1.5
121.10131	4.0
123.08070	2.8
125.09629	0.8
128.06165	1.1
129.07028	6.5
131.08588	1.5
133.10173	4.7
135.11699	17.9
143.08611	3.6
145.10138	7.5
147.08017	1.0
147.10504	0.8
147.11682	16.5
149.13271	1.1
157.10152	0.9
159.19333	0.8
161.09634	1.9
161.13254	3.3
162.16800	0.8
163.11198	2.9
167.07071	3.7
171.11697	9.8
173.04291	0.9
181.12198	3.8
189.12756	3.7
207.13788	9.5
225.14806	1.6
255.15924	26.3
267.16016	0.9
269.17499	1.1
281.17468	23.4
397.30582	0.9
461.28998	100.0
462.29272	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	657.3845
Annotation	Russelioside C
Peak:m/z	Relative Intensity
51.30167	0.5
55.01880	1.2
55.05513	4.0
57.03429	1.6
57.07083	4.1
61.02926	1.2
65.03953	0.7
65.92387	0.6
67.05505	8.9
69.03434	7.9
69.07066	7.7
70.88155	0.7
70.88494	1.0
71.04988	2.0
71.08622	0.7
79.01844	0.5
79.05492	5.6
81.03422	2.8
81.07061	20.6
83.01338	13.3
83.04991	0.9
83.08620	3.7
84.56574	0.5
85.02906	15.9
85.06545	3.9
91.05479	4.1
93.07045	9.7
95.04958	1.4
95.08606	15.1
97.02911	5.9
97.06544	0.8
97.10177	1.3
98.21163	0.9
99.04471	0.7
99.06128	0.6
99.08113	0.7
105.07053	3.4
107.04973	1.4
107.08597	8.0
109.02874	2.4
109.06523	2.4
109.10156	8.3
111.04477	0.9
111.08081	0.6
111.11766	0.8
117.82939	0.5
119.04959	1.0
119.08591	3.2
121.06511	0.8
121.10152	6.3
123.11715	6.7
125.05991	0.9
125.09629	0.7
127.03935	3.5
129.01831	3.3
131.08585	1.5
133.06490	0.8
133.10132	1.9
135.04407	7.7
135.08011	0.7
135.11673	4.3
137.05980	1.6
137.09624	0.8
137.13292	2.9
139.03944	0.9
143.03349	0.6
145.04926	0.6
145.10139	1.8
147.08028	2.0
147.11700	2.3
149.13239	3.8
151.07547	0.7
153.01834	10.6
153.02982	1.0
153.05476	4.6
153.12717	0.7
157.04984	1.9
159.11656	1.0
161.05872	0.6
161.09651	0.9
161.13295	0.7
163.03902	1.5
163.14883	0.6
165.09164	0.8
167.07060	2.5
171.02956	1.1
175.07545	0.6
175.11201	1.2
177.09090	0.7
181.04959	25.6
183.06578	2.0
187.11197	0.6
189.09160	0.7
195.06531	20.6
199.06027	39.2
201.13004	0.6
203.10771	1.4
207.06482	2.6
207.10336	0.9
209.08121	8.2
221.08093	2.2
223.09657	12.6
224.09482	0.9
231.10205	1.9
235.09622	3.5
237.11226	21.8
247.09673	1.0
249.11240	25.3
251.12852	2.1
261.11334	1.1
263.12802	4.4
265.14359	1.6
275.12631	0.7
277.14368	2.5
279.15909	0.6
289.14459	1.5
291.16022	2.2
293.17526	1.5
303.15982	1.4
305.17407	2.5
307.19025	1.0
307.26218	0.8
315.07227	0.8
317.17548	1.4
319.19067	1.4
375.25412	2.9
377.23212	0.7
385.23792	1.5
387.25644	0.9
403.24844	2.2
441.30078	4.6
451.04977	0.6
459.31070	27.7
462.43179	0.8
477.32144	100.0
478.32541	1.9
495.33194	36.0
496.33917	1.3
518.48541	0.5
639.37378	7.2
657.38391	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	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81897	2.6
53.03938	12.5
55.01864	7.8
55.05515	31.3
57.03431	11.5
59.04994	2.3
61.02933	2.6
67.05503	37.2
69.03431	27.9
69.07072	11.0
69.55415	6.4
69.55818	13.8
71.04989	9.4
73.02910	4.0
79.05499	31.7
81.03421	100.0
81.07061	44.4
83.01366	2.3
83.04985	58.7
83.08617	24.9
85.02911	28.7
85.06535	6.0
86.46747	2.5
91.03920	3.0
91.05489	46.8
93.07051	28.4
95.04974	39.0
95.08598	19.6
97.02920	16.7
97.06542	7.2
97.10168	8.0
99.04468	8.5
99.08092	3.3
103.05480	2.9
105.07032	35.8
107.04950	11.1
107.08598	18.6
109.02878	12.9
109.06511	10.5
109.10143	13.0
111.04451	17.9
111.08101	15.6
115.05473	4.3
117.07014	4.9
119.08581	30.1
121.06487	4.5
121.10126	14.5
123.08073	8.4
123.11703	8.3
125.09631	10.7
127.03945	8.4
129.05501	16.0
129.07001	14.6
131.08582	18.6
133.06500	2.8
133.10146	14.9
135.08060	4.6
135.11696	7.9
137.05988	4.2
137.09528	4.4
142.07864	3.2
145.10181	8.3
147.08035	4.1
147.11685	23.2
149.09602	7.6
149.13283	3.0
151.07536	7.0
153.01852	5.3
157.10144	14.6
159.11673	4.2
163.11169	8.0
165.09198	3.5
165.12781	4.8
167.07111	6.3
173.04472	4.4
175.11191	20.4
177.12814	2.9
181.12138	5.8
189.09210	3.7
189.11113	3.5
191.10738	7.6
193.12260	65.6
211.13307	87.1
211.15265	5.3
215.14326	3.4
227.12750	7.8
229.14354	5.4
249.14864	3.0
267.15909	25.1
273.15051	3.0
283.15582	4.9
285.17017	32.1
313.16626	3.0
337.16534	4.0
355.17462	8.7
359.21890	3.5
363.33514	2.6
376.51050	2.8
385.23810	6.8
411.20065	3.4
429.21158	7.3
433.25879	4.5
451.27008	4.2
459.27466	10.8
460.27560	2.5
477.27664	16.7
495.29123	24.6
516.90485	2.8
639.34009	15.5
640.33734	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	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99598	2.0
53.03940	8.1
54.37780	2.0
55.01871	16.6
55.05262	2.5
55.05514	32.6
57.03436	30.1
57.07073	5.3
59.05001	4.3
65.03930	5.8
65.94965	2.0
67.05504	100.0
69.03429	34.8
69.07069	19.2
70.84899	2.0
71.01346	2.8
71.04984	13.0
71.12034	2.1
73.02916	26.4
79.05058	3.3
79.05494	51.6
81.02949	2.2
81.03416	50.8
81.07059	82.3
83.04991	24.6
83.08617	20.4
84.40900	2.7
85.02907	33.0
85.06519	5.4
91.05482	39.3
93.07045	50.9
95.04979	20.6
95.08058	2.1
95.08610	26.4
97.02904	23.3
97.06523	18.2
97.10146	8.6
99.04445	8.1
99.08068	4.7
101.02372	2.9
103.03912	4.0
105.07028	20.1
107.04961	18.1
107.08582	34.7
109.02906	13.3
109.06511	5.5
109.10153	56.6
111.04440	12.1
111.08086	9.2
114.58949	2.4
115.03925	4.6
115.05505	2.5
116.04714	8.2
117.07010	10.6
119.08582	13.0
121.06476	5.1
121.10140	20.7
123.04475	3.7
123.08047	4.1
123.11692	2.9
125.09618	6.2
127.03929	13.1
127.11212	3.0
129.05495	23.0
129.07002	6.0
131.03403	3.7
131.08554	14.2
133.10124	12.9
135.04416	12.3
135.08078	4.1
135.11681	9.3
137.09615	4.1
143.07016	5.8
143.08559	3.2
145.10132	3.4
147.08014	3.9
147.11690	8.7
149.13258	23.0
151.03915	2.5
153.05452	5.3
153.09088	2.5
155.10652	4.4
157.08588	9.3
157.10057	3.6
159.11703	8.8
163.11182	4.3
165.12831	2.9
169.10062	3.3
171.06477	3.2
173.04474	7.0
173.11739	17.5
175.11156	3.6
177.12740	9.6
184.07187	2.7
185.11703	3.1
189.11192	3.9
193.12218	8.3
195.13852	15.2
199.05913	2.2
199.13290	3.9
209.11700	3.2
211.13371	3.8
213.14775	2.5
217.07068	7.3
227.12778	3.1
227.71237	2.0
229.14333	50.0
267.15918	2.6
269.17471	57.5
283.15405	3.8
285.16989	2.8
286.73022	2.0
301.16370	5.0
339.17932	2.9
423.27396	99.3
424.28391	2.7
477.28278	4.6
495.29327	4.8
639.33496	4.6
643.30591	2.1
657.34448	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	656.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01864	5.3
55.05511	28.0
56.03647	1.6
57.03432	2.8
61.02917	2.3
65.03927	2.6
67.05511	31.6
69.03421	6.3
69.07069	9.2
70.72377	4.9
71.04982	3.6
79.05498	29.8
80.05837	2.3
81.03415	10.9
81.07060	25.9
82.03754	2.3
82.07404	2.4
83.04984	4.0
83.08614	15.8
85.02881	4.4
91.05479	25.3
92.05770	1.9
93.07047	17.3
95.04960	6.0
95.08609	11.1
97.02904	5.1
97.06548	2.9
97.10175	29.9
98.21191	2.2
103.05460	8.5
104.49719	1.4
105.07037	17.7
107.04960	3.3
107.08595	17.7
109.06523	3.3
109.10136	8.7
111.08094	2.4
115.05470	5.0
117.07016	34.0
119.08582	13.1
121.06528	2.1
121.10130	6.0
123.08070	2.0
123.11704	1.5
125.09633	21.7
127.03957	2.7
128.06232	3.3
129.05536	2.3
129.07025	13.9
131.08580	27.6
133.06471	5.8
133.10147	6.8
135.08055	6.7
137.09666	2.0
141.07011	7.6
143.08583	7.8
145.06493	8.1
145.10143	8.6
147.08003	3.8
147.11691	3.9
149.09595	4.9
153.07018	2.5
153.09137	2.2
155.08545	8.8
157.06506	3.5
157.10115	5.4
159.08032	3.7
159.11650	3.5
161.09549	1.7
167.06967	1.8
167.08429	2.6
169.10129	5.8
171.11688	6.4
173.13257	2.5
185.09575	2.5
185.13286	2.0
187.11122	2.4
187.14816	6.1
189.11183	12.0
189.12663	2.0
193.12233	2.6
195.11714	3.7
197.13307	10.3
213.12712	2.5
215.14333	33.0
221.13229	1.8
223.11293	2.9
227.12733	19.9
241.12251	1.9
271.16943	2.1
339.22986	2.0
349.21536	6.5
367.22800	11.4
385.23691	11.1
403.24765	4.1
441.26382	51.2
459.27429	100.0
460.27924	2.0
462.29422	2.6
477.28415	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3688
Annotation	Cilistol p
Peak:m/z	Relative Intensity
53.03870	2.9
55.01805	1.4
55.02045	0.6
55.05419	5.5
55.05712	1.4
57.03352	1.5
57.06983	2.6
61.02850	1.1
61.03123	0.6
61.81327	0.5
65.03862	0.8
67.05402	8.3
67.05791	1.3
69.03323	7.1
69.06967	4.1
69.94032	1.6
69.94443	1.2
71.04883	1.8
71.05230	0.7
71.08533	0.6
73.02839	0.7
73.06459	2.7
75.37338	0.6
79.05383	4.2
81.03309	5.9
81.06947	15.3
81.07478	1.7
83.01225	11.5
83.01772	1.3
83.04868	6.2
83.05388	0.8
83.08495	2.4
85.02792	9.6
85.06429	1.8
85.06883	0.5
86.14858	0.6
87.04377	0.9
91.05363	4.1
93.06923	7.0
93.07554	1.3
95.04841	2.0
95.05433	0.8
95.08484	10.7
97.02769	5.8
97.06397	1.9
97.10042	1.6
98.20763	0.6
98.21291	1.1
99.04341	1.3
105.06901	5.5
106.93029	0.6
107.04819	2.0
107.08598	4.0
109.02863	2.6
109.06406	2.3
109.10157	7.4
111.04353	0.9
111.07970	0.7
115.03907	0.6
117.06900	1.0
119.04850	1.0
119.08589	4.2
121.06396	0.8
121.10138	3.6
123.04350	0.6
123.11718	6.9
125.09534	1.1
127.03923	3.2
127.11079	0.5
129.01859	3.2
129.06894	0.8
131.08496	0.9
133.06339	0.6
133.10013	2.1
135.04405	7.8
135.07956	0.8
135.11551	2.2
137.05841	1.3
137.13171	1.2
139.03801	1.2
145.02785	0.7
145.04860	0.7
145.09972	0.9
147.04309	0.9
147.07936	1.3
147.11713	2.6
149.09561	0.6
149.13091	1.5
151.11031	1.5
153.01831	4.4
153.05457	4.4
155.03365	0.7
157.04936	1.1
157.09999	1.6
159.07901	0.5
159.11606	1.0
161.05879	0.7
161.09486	1.7
161.13177	0.9
163.03737	2.2
163.11063	1.1
165.05406	0.7
165.08998	0.6
167.06860	2.3
168.71426	0.5
171.02728	0.7
171.07907	0.6
173.09529	0.7
175.07248	0.6
175.11073	1.5
175.14742	0.7
176.08151	0.5
177.05339	1.7
179.10521	0.6
181.04965	26.9
183.06389	1.7
187.11063	0.9
189.08978	1.3
193.08516	0.5
193.12161	1.2
195.06531	19.9
199.06021	32.5
200.06192	0.5
203.10532	1.6
203.17812	0.5
207.06567	4.0
208.07048	0.6
209.06294	0.7
209.08102	7.9
213.12769	0.6
217.15939	0.6
221.08090	2.8
222.07664	0.7
223.09659	14.4
231.10027	1.5
235.09598	3.0
237.11218	17.9
249.11224	25.2
251.12663	2.3
261.11017	2.2
263.12772	5.2
265.14322	0.6
275.12759	1.2
277.14267	2.3
279.15768	0.9
287.05392	0.7
288.52438	0.5
289.14301	2.1
291.15723	1.9
293.17386	0.8
303.15863	1.2
305.17355	1.7
307.18719	0.7
317.06589	1.2
317.17374	1.6
319.18961	1.4
331.18872	1.3
357.20291	1.9
357.24429	0.6
359.22052	1.7
373.23773	4.6
375.25314	1.8
387.25342	0.8
401.23428	0.8
439.28098	1.6
457.29492	22.0
458.30011	0.9
475.30554	100.0
476.30997	3.8
493.31641	43.7
494.31802	1.5
637.34937	0.6
655.36902	18.3
656.37036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.04179	0.6
55.01863	1.7
55.05298	0.7
55.05509	6.9
57.03424	1.7
57.07073	3.6
61.02916	1.0
62.31358	0.7
65.03933	1.3
65.42117	0.6
67.05505	10.9
69.03432	5.7
69.06709	0.9
69.07066	7.1
71.04977	2.2
71.58049	1.0
73.06554	3.4
77.17500	0.7
78.83496	0.5
79.01847	0.6
79.05490	6.5
79.70274	0.6
80.03044	0.6
81.03415	7.2
81.07055	15.9
82.39589	0.6
83.01337	12.4
83.04980	6.4
83.08615	2.5
84.85375	0.6
85.02901	6.1
85.06541	2.2
90.76776	0.7
91.05489	7.3
93.07044	9.3
95.04956	2.9
95.08599	10.1
97.02881	5.2
97.06529	2.5
97.10162	1.6
97.82603	0.5
99.04444	0.7
105.07028	5.8
105.20461	0.5
107.04952	2.1
107.08589	7.3
109.02842	3.4
109.06493	3.0
109.10159	9.1
111.04456	2.0
111.08097	1.2
115.22009	0.6
117.07013	1.5
119.04926	1.2
119.08601	4.4
121.06525	1.2
121.10139	5.4
123.04422	0.6
123.08069	1.4
123.11702	8.6
125.06011	0.8
125.09621	2.3
127.03915	2.8
129.01837	3.3
129.07018	1.0
131.08571	1.8
133.06493	0.8
133.10121	3.3
135.04416	8.2
135.08072	1.9
135.11694	2.5
137.05968	2.3
137.09592	1.1
137.13290	1.3
139.11192	0.9
143.08534	1.0
145.10132	2.4
147.04433	1.0
147.08037	2.1
147.11731	2.8
149.09596	1.9
149.13280	0.8
151.07570	1.1
151.11089	1.0
153.01817	8.3
153.05461	5.8
153.12770	0.8
157.04922	1.3
157.10139	1.7
159.11691	1.8
161.06076	0.9
161.09615	1.9
161.13278	1.1
163.03883	2.2
163.11186	1.3
163.14793	0.8
165.09113	1.2
167.07053	3.5
173.09639	0.8
175.11192	2.4
175.14861	1.0
177.09076	0.8
177.12770	0.7
181.04948	24.0
183.06529	1.8
187.11198	1.5
189.09093	1.0
191.10645	1.0
193.12285	1.8
193.19257	0.6
195.06528	19.4
199.06021	34.3
203.10725	1.8
203.17891	0.8
205.12357	0.8
207.06558	2.7
209.08130	7.0
209.11720	1.9
211.13313	2.4
221.08092	2.5
223.09625	11.2
227.12843	0.9
231.10231	1.1
235.09634	3.3
237.11198	18.5
243.13589	0.7
247.09734	0.8
249.11211	22.8
250.11386	0.9
251.12761	2.4
261.11307	2.7
263.12738	4.7
265.14322	1.4
267.15955	1.2
269.22592	1.0
275.12918	1.6
277.14404	1.7
279.16095	0.7
283.15524	0.9
289.14410	2.6
291.15973	2.2
293.17386	1.0
301.14294	0.8
303.15955	1.8
305.17496	1.6
307.19321	0.6
315.15839	0.9
317.17407	1.8
331.18787	0.8
336.98309	0.7
357.20590	1.4
359.21872	0.7
373.23755	5.1
375.25656	1.4
377.23209	1.0
387.25223	1.4
395.68210	0.6
401.23279	1.1
439.28543	1.7
451.16348	0.7
457.29529	20.6
459.15222	0.7
465.95667	0.6
475.30566	100.0
476.30905	3.1
493.31686	28.8
581.51306	0.7
637.32428	1.2
655.36786	13.7
661.71674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13938	2.0
53.03943	10.5
55.01873	4.8
55.05508	21.0
57.03441	11.8
57.88502	2.0
59.04997	3.4
61.02924	2.3
65.03952	3.7
67.05504	64.3
69.03442	19.7
69.07070	11.5
71.01354	2.6
71.04990	47.4
71.11494	3.5
79.05495	36.7
81.03418	100.0
81.07056	83.2
83.04984	22.2
83.08617	19.3
85.02900	22.2
85.06544	8.2
91.05482	52.0
91.80968	2.0
92.61973	1.9
93.07040	37.6
95.04966	28.8
95.08609	19.4
97.02885	13.9
97.06531	10.7
97.10165	8.2
99.04456	7.1
99.08096	2.6
105.07034	30.3
107.04963	10.0
107.08604	18.9
109.02873	12.8
109.06527	7.3
109.10184	9.9
111.04483	10.5
111.08094	11.4
113.05972	3.3
117.07072	9.4
117.07801	2.3
119.08592	22.9
121.06532	3.8
121.10124	15.8
121.11405	2.0
123.04415	3.8
123.08027	4.8
123.11709	11.9
125.05899	2.2
125.09622	6.4
127.03928	8.2
128.06198	1.9
129.05498	2.8
129.07011	10.7
131.08577	14.5
133.06473	5.5
133.10123	23.0
135.08043	3.6
135.11703	4.8
137.05978	3.2
143.08548	3.3
145.06422	3.2
145.10112	5.4
147.08015	4.8
147.11668	15.6
149.09610	7.5
149.13255	5.1
151.11174	8.1
153.12732	3.4
157.10155	11.2
159.11699	7.6
163.11116	3.6
165.12744	3.8
168.90163	2.0
171.06561	2.2
171.11769	2.4
173.04501	8.8
175.11153	11.9
177.12769	3.6
183.13731	3.5
187.13301	12.6
191.10756	2.8
193.12245	31.4
195.13812	6.4
201.14853	4.7
211.13280	50.5
225.14742	3.1
227.12680	2.6
243.15979	3.0
249.15071	2.5
257.17468	5.9
267.15961	11.2
269.17517	5.9
283.15610	2.6
285.16959	9.0
299.18405	3.3
301.14160	4.0
303.15958	2.3
321.16812	2.7
337.16495	2.8
339.18085	8.1
356.51697	2.1
395.20584	5.5
406.82275	2.4
411.20349	2.6
417.26450	2.7
435.27399	16.1
451.30411	2.3
453.28632	14.3
461.29089	16.1
467.30478	10.7
467.36108	2.1
479.29971	6.0
511.32843	10.8
535.74634	2.1
605.33057	3.4
611.34113	2.6
623.33997	10.6
637.35425	4.8
655.36823	48.6
656.36066	2.8
670.90460	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	655.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.7
55.01880	13.2
55.05258	1.7
55.05515	27.1
57.03441	14.2
57.07060	5.6
57.08075	1.2
59.04999	2.7
65.03928	3.0
67.05505	44.8
67.05868	2.4
69.03436	28.0
69.07064	13.5
70.64288	3.0
71.01343	2.6
71.04986	6.3
73.02907	3.7
77.03938	1.3
79.05494	44.5
81.03420	100.0
81.07061	45.6
83.04985	23.3
83.08623	18.9
85.02434	1.4
85.02911	20.6
85.06553	3.9
88.31797	1.3
89.02340	1.3
91.05484	39.6
93.07051	31.1
95.04975	29.1
95.08603	18.9
97.02895	30.7
97.06525	9.7
97.10163	11.6
97.37256	1.1
98.07295	1.3
98.21059	2.3
99.04472	7.9
99.08140	1.4
101.02399	1.4
105.04512	1.5
105.07037	27.6
107.04958	15.7
107.08589	17.0
107.87057	1.4
109.02319	1.3
109.02889	14.0
109.06522	9.8
109.10160	19.4
111.04456	14.5
111.08086	11.9
113.05986	3.0
115.03926	1.6
115.05413	2.3
117.05468	2.1
117.07011	6.5
119.04919	1.2
119.08586	20.9
121.06492	5.4
121.10141	15.7
123.04409	6.6
123.08055	4.4
123.11702	5.0
125.05973	1.9
125.09635	10.3
127.03939	11.3
127.11206	3.4
127.40634	1.2
129.05435	3.4
129.07014	9.4
131.04854	3.0
131.08591	13.5
133.06488	3.6
133.10130	12.3
135.04424	4.7
135.08073	4.6
135.11690	8.3
137.05943	3.1
137.09608	4.0
138.39960	1.3
139.11206	1.4
141.05418	1.4
142.07761	2.0
143.03413	2.9
143.08560	2.3
145.06479	1.7
145.10121	9.9
147.04405	2.1
147.08026	3.8
147.11693	13.7
149.05959	1.6
149.09627	8.3
149.13228	1.6
151.03905	1.5
151.07521	3.0
151.11180	1.4
153.01874	8.8
153.09079	1.7
153.12759	5.5
155.08513	2.3
157.08839	1.7
157.10156	11.3
159.11682	3.0
161.09601	3.7
163.11189	13.4
165.09059	1.4
165.12770	5.4
167.07079	6.4
167.08362	1.4
169.10146	1.3
171.02806	1.3
171.06540	2.0
171.11731	1.7
173.04466	5.2
173.09576	4.0
173.11792	2.2
173.13182	2.0
175.07474	1.7
175.11200	11.6
181.04935	3.0
181.12210	5.9
184.07333	5.0
185.11606	1.3
185.13156	1.7
187.11143	1.3
189.08994	1.8
189.11211	3.4
189.12785	1.9
191.10667	8.4
193.12259	33.9
199.06012	3.5
199.13203	1.3
209.11752	9.3
211.11354	1.8
211.13292	34.5
217.12260	1.9
223.13196	2.1
227.12759	10.7
229.12338	1.3
229.14333	5.5
235.13324	1.6
243.13683	1.6
245.13762	1.5
247.13278	2.0
249.14967	2.1
265.14267	1.8
267.15900	8.8
271.13245	1.4
272.21823	1.1
283.15546	6.9
285.17075	6.4
287.05350	2.1
289.14456	2.0
295.15332	1.2
299.20334	1.1
301.16968	2.3
337.16470	1.4
353.15970	3.9
355.17786	2.4
391.24753	1.3
403.24478	1.1
411.20102	2.7
421.25842	2.1
427.19574	2.6
439.26813	3.6
452.93893	1.2
457.29971	2.1
475.25879	7.5
493.27209	7.7
495.29456	1.8
496.01492	1.3
511.28989	1.8
532.03735	1.3
637.32092	4.0
655.33203	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	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47631	0.4
53.03888	3.0
55.01805	1.4
55.05444	5.9
55.05745	0.8
57.03366	1.8
57.07007	3.6
61.02847	1.6
65.03880	0.7
67.05426	9.1
67.05815	0.8
69.03355	7.0
69.03756	0.6
69.06989	5.3
70.75951	0.8
71.01276	0.4
71.04916	1.8
71.39634	0.4
73.02822	1.2
73.06474	2.4
79.05493	5.6
81.03421	4.5
81.06973	14.6
83.01259	12.2
83.01786	0.8
83.04897	6.4
83.08614	2.6
85.02822	11.3
85.03364	0.7
85.06544	2.1
87.04416	0.8
91.05476	4.1
93.07048	7.5
95.04883	1.8
95.08614	9.9
95.09167	0.6
97.02896	5.6
97.06450	1.3
97.10090	1.6
99.04383	1.0
105.07037	4.4
107.04938	2.3
107.08585	3.8
109.02779	1.7
109.06543	2.2
109.10160	6.6
110.11803	0.4
111.04350	0.6
111.08012	1.0
113.02341	0.4
115.03886	0.8
117.06905	0.6
119.04858	0.7
119.08598	4.0
121.06448	0.5
121.10152	4.0
123.07951	0.5
123.11713	7.2
125.05946	0.6
125.09559	1.1
127.03896	2.5
129.01849	4.0
129.06932	0.8
131.08479	1.4
131.09424	0.4
133.06459	1.1
133.10127	2.2
135.04416	7.7
135.11661	2.5
137.05902	1.2
137.09564	0.8
137.13144	1.5
139.03807	0.9
139.11072	0.6
143.08556	0.9
144.09201	0.5
145.04837	1.1
145.10054	0.9
147.04375	0.4
147.08060	2.4
147.11693	3.2
149.09499	0.6
149.13127	1.3
151.07454	1.1
151.11055	1.2
153.01848	3.6
153.05463	4.3
153.12627	0.9
157.04889	1.1
157.10031	1.7
159.11595	1.0
161.09503	1.6
161.13213	0.8
163.03923	1.9
163.07430	0.5
163.11116	0.8
167.07068	1.9
170.60216	0.4
173.09448	0.8
175.07402	0.5
175.11066	1.7
177.05507	0.5
181.04968	25.0
183.06474	1.7
185.09540	0.6
189.09041	1.0
189.16312	0.6
192.60414	0.5
193.04924	0.6
193.12161	1.2
195.04753	0.8
195.06543	19.8
199.06029	38.0
203.10596	1.5
206.05698	0.6
207.06580	2.8
207.10072	0.7
209.08107	7.6
211.13197	1.2
220.07277	0.7
221.08096	3.3
223.09665	12.6
224.31552	0.4
231.10115	1.4
235.09637	3.2
237.11223	19.5
247.09589	1.4
249.11237	23.6
251.12849	2.6
255.77972	0.4
261.11313	2.2
263.12805	3.8
265.14322	1.2
275.12698	1.4
277.14282	1.7
279.15814	0.6
287.05432	0.5
287.12558	0.5
289.14212	2.0
291.15967	2.4
293.17447	0.8
296.03372	0.5
301.14426	0.6
303.15811	1.8
305.17404	1.8
307.18826	0.9
317.06430	0.4
317.17447	1.7
319.18967	0.5
331.19067	0.7
357.20441	1.4
359.22174	1.4
373.23740	5.1
375.25238	1.2
383.22147	0.9
387.25256	1.1
401.22989	0.8
439.28308	1.2
457.29553	23.4
458.30002	0.7
475.30573	100.0
476.30792	3.1
493.31650	36.9
494.31766	1.1
629.99249	0.4
637.34558	1.0
655.36884	17.0
656.37048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
53.03949	9.8
55.01872	12.7
55.05261	1.8
55.05514	25.4
57.03439	16.1
57.07072	5.3
59.04999	2.4
65.03936	4.0
67.05505	56.0
69.03075	2.1
69.03429	33.7
69.07066	11.7
70.65901	1.1
71.01344	3.8
71.04997	9.2
73.02930	7.7
79.05493	41.2
81.03419	100.0
81.07056	36.8
82.04199	1.1
83.04987	23.1
83.08623	21.5
85.02416	2.0
85.02902	27.9
85.06544	3.6
87.04454	1.8
91.05480	43.9
93.06467	1.5
93.07040	27.7
93.07619	1.4
94.04207	1.4
95.04970	33.2
95.08607	18.2
97.02895	26.4
97.06531	8.7
97.10171	11.3
98.21115	6.1
99.04455	7.6
99.08125	1.8
101.02372	1.6
103.03980	2.0
103.05459	2.4
105.07033	27.7
107.04958	16.5
107.08600	16.9
109.02866	20.2
109.03582	1.5
109.06522	8.4
109.09454	1.7
109.10161	23.1
111.04444	14.2
111.08105	9.1
113.06023	2.6
115.03913	2.9
115.05436	3.4
117.07019	7.6
119.04961	1.5
119.08575	19.6
121.06496	5.3
121.10152	13.7
123.04399	6.6
123.08072	3.8
123.11700	3.5
125.06023	2.5
125.09630	10.8
127.03921	11.2
127.11182	2.6
129.05475	3.0
129.06984	9.3
131.03430	2.5
131.04909	2.2
131.08574	12.1
133.06491	3.3
133.10107	11.2
135.04414	6.8
135.08055	3.7
135.11662	7.3
137.06001	3.6
137.09612	4.8
139.03882	1.5
142.07765	3.0
143.03426	1.8
143.08556	2.8
145.04918	1.2
145.06491	2.7
145.10127	9.2
147.08055	3.5
147.11684	15.4
149.09645	6.8
149.13286	1.4
151.03787	1.3
153.05440	3.6
153.09038	2.3
153.12723	3.7
155.08524	2.1
155.10619	1.8
157.04927	1.5
157.10150	11.1
159.11725	1.4
161.09567	1.3
163.03955	1.4
163.11217	8.3
165.12683	6.3
167.06956	1.5
171.06557	1.7
171.11690	2.1
173.04477	7.7
173.05759	1.6
173.09583	2.4
173.11798	7.0
173.13106	1.9
175.11171	12.2
177.12752	1.2
181.04906	1.4
181.12178	6.2
183.06561	1.4
187.11169	1.9
189.11224	4.8
191.10706	6.7
193.12241	40.6
197.04431	2.2
199.06021	4.8
199.13318	1.6
201.12837	1.2
205.12134	1.4
209.11714	13.0
211.13278	43.6
217.06995	1.3
217.14282	1.3
219.13875	1.4
223.13332	1.5
227.12723	12.7
229.12201	1.1
229.14336	16.2
231.13858	1.9
247.13228	2.5
249.14838	2.4
261.14786	1.4
265.14346	1.6
267.15906	16.2
283.15472	8.5
285.16989	10.4
289.14221	1.4
291.15759	1.3
301.16599	1.7
307.15439	1.3
309.16928	1.6
313.16354	1.4
315.77832	1.1
337.16461	3.1
353.15979	1.9
355.17456	3.2
409.18906	1.5
409.25806	2.4
411.20209	1.9
421.25851	12.5
427.19339	2.8
427.26755	1.5
429.21069	1.6
439.26944	13.6
447.27063	1.5
459.27414	1.7
475.26041	7.3
493.27835	8.6
547.28748	1.3
583.30914	2.2
591.52887	1.1
637.32452	8.2
655.33368	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	653.3531
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03958	11.8
55.01868	10.9
55.05513	34.3
57.03439	16.9
57.07068	4.0
61.02935	2.9
65.03947	5.2
67.05170	3.9
67.05506	70.1
69.03436	26.1
69.07073	16.3
71.01360	2.3
71.04987	12.6
71.57453	2.0
73.06573	2.3
79.05497	80.2
79.05959	4.3
81.03422	100.0
81.07059	76.1
83.01325	3.3
83.04983	41.3
83.08614	25.7
85.02898	17.0
85.06538	6.3
91.05485	77.9
93.07049	67.5
95.04975	40.1
95.08611	34.2
97.02902	22.3
97.06509	8.9
97.10159	10.7
99.04456	9.9
103.92345	2.6
105.04505	3.0
105.07041	43.2
107.04943	15.5
107.08591	24.9
109.02873	15.1
109.06499	11.3
109.10149	17.7
111.04424	10.6
111.08042	11.9
113.02373	2.3
115.05417	4.4
117.07006	17.1
119.04902	3.6
119.08592	37.7
121.06503	7.7
121.10146	13.9
123.04404	5.0
123.08071	10.4
123.11730	4.1
125.09620	7.6
125.26137	2.3
126.03918	2.4
127.03890	11.7
128.06271	4.1
129.05556	5.0
129.07014	22.5
131.08571	17.1
133.06517	4.4
133.10121	17.6
135.08060	5.6
135.11703	8.7
137.05994	3.8
137.09601	5.2
142.07788	2.8
143.08546	9.8
145.06538	2.4
145.10153	16.3
147.04356	4.5
147.08061	8.6
147.11705	36.1
149.09653	5.5
149.13268	3.4
151.07521	2.9
153.01834	3.5
153.12764	6.2
155.08479	3.7
157.10143	11.4
159.08099	2.7
159.11656	5.8
161.09647	6.0
161.13234	11.2
163.11195	11.8
165.09099	2.3
165.12743	4.9
167.07053	5.1
171.08162	3.1
171.11678	20.9
173.04501	6.3
173.09686	4.1
175.07457	2.6
175.11211	8.0
177.12759	3.8
181.12245	7.3
183.08130	2.5
183.11696	2.8
187.11093	2.8
189.12759	9.8
191.10645	2.9
193.12253	31.2
195.13799	2.6
207.13799	20.4
209.11761	7.2
211.13303	32.8
227.12717	11.9
229.14403	3.9
235.13309	2.4
249.14964	3.0
256.89914	2.2
257.15286	2.4
263.53912	2.5
267.15994	21.9
268.16183	2.5
281.14285	3.1
281.17484	64.2
283.15387	8.1
285.17029	13.0
287.16544	2.9
323.83780	2.8
351.18253	2.6
355.17569	3.5
429.21185	8.8
451.92456	2.2
462.29245	4.9
473.28973	51.2
491.30219	25.2
635.34235	27.1
636.32001	3.1
653.34637	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3529
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03942	11.6
55.01865	9.2
55.05517	29.7
55.25755	4.6
57.03424	16.7
61.91197	3.5
67.05507	62.0
69.03440	21.0
69.07056	12.9
69.47548	23.8
69.47951	5.8
71.04991	10.4
79.05054	5.8
79.05491	85.7
81.03418	100.0
81.06636	4.9
81.07065	53.8
83.04986	41.2
83.08623	20.4
84.24876	3.2
85.02907	24.0
85.06523	4.4
90.56868	3.4
91.05486	77.3
93.07040	72.2
95.04974	39.2
95.08611	31.4
97.02902	20.2
97.06543	5.5
97.10193	6.6
98.20891	11.0
99.04472	5.2
103.05423	5.0
105.06387	5.0
105.07038	53.1
107.04936	16.3
107.08595	29.4
109.02854	15.5
109.06512	6.4
109.10166	5.1
109.93872	3.5
111.04398	10.2
111.08076	12.2
112.30128	3.4
117.07001	14.1
119.08588	34.1
121.06492	5.9
121.10125	12.6
123.08049	7.7
127.03918	8.4
128.06252	7.8
129.05469	7.3
129.07001	29.9
129.32683	4.0
131.08556	19.3
133.06517	8.4
133.10092	19.3
135.07985	4.7
135.11626	4.7
141.06926	5.6
143.08568	8.4
145.10167	11.0
147.08025	5.3
147.11696	39.0
149.09602	7.6
155.08543	4.8
156.63794	3.7
157.10133	13.1
161.13246	12.5
163.07262	3.7
163.11147	7.1
165.12680	4.7
171.11658	28.2
173.04543	4.1
175.11079	6.1
189.12740	10.9
191.10590	4.8
193.12234	39.0
207.13829	27.6
211.13306	39.1
223.14789	4.0
225.14717	5.1
249.14899	7.3
267.15906	33.7
267.66675	3.8
274.63724	4.7
279.54718	3.4
281.14612	6.3
281.17480	77.3
285.16858	28.8
287.16272	11.8
324.64670	4.2
355.17322	7.4
425.21747	6.8
429.21130	15.8
473.29034	69.9
491.30084	28.8
635.34296	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10502	1.7
51.02370	2.0
53.03947	10.9
55.01874	17.4
55.05511	35.0
57.03436	14.0
57.07076	4.4
59.05001	2.0
61.91429	1.6
63.91281	1.5
65.03941	5.6
67.05508	67.8
69.03430	33.8
69.07072	14.6
71.01369	2.5
71.05002	12.7
72.18882	1.5
73.02926	3.6
77.03886	2.1
79.05498	60.6
81.03419	100.0
81.07055	44.3
82.04205	1.9
83.01344	4.3
83.04977	31.1
83.08613	16.6
85.02911	19.4
85.06551	3.7
91.05483	49.5
93.07046	46.2
95.04972	33.9
95.08613	20.2
97.02891	33.6
97.06554	10.2
97.10159	11.5
99.04440	8.6
99.08121	2.4
103.05511	2.5
105.07029	30.5
107.04955	22.9
107.08596	22.0
109.02886	19.6
109.06505	9.5
109.10152	17.3
111.04466	13.8
111.08078	12.2
115.03944	2.5
115.05454	3.5
117.07023	13.9
119.04927	2.7
119.08584	23.9
121.06532	4.7
121.10130	13.8
123.04433	6.2
123.08067	9.3
123.11699	2.5
125.05998	2.4
125.09637	15.0
127.03886	14.4
127.10358	1.7
127.11296	2.0
128.06190	2.2
129.05501	3.8
129.07008	12.3
131.04915	2.5
131.08568	14.2
133.06500	4.5
133.10114	14.0
135.04391	4.1
135.08029	6.0
135.11674	14.5
137.06020	1.8
137.09610	4.0
139.11150	2.2
141.06982	2.7
143.08562	5.3
145.06467	1.9
145.10127	16.9
147.04425	2.7
147.08060	6.4
147.11699	16.4
148.07726	1.7
149.09605	4.3
153.05428	4.0
153.09065	2.2
153.12779	5.6
155.08566	4.3
157.10103	8.4
159.08092	2.0
161.09590	2.8
161.13274	3.8
163.11194	22.8
165.12802	2.1
167.07036	2.6
171.11725	6.4
173.04492	7.1
173.09669	4.9
173.11841	2.4
175.11192	6.6
177.12700	1.7
181.12265	8.2
189.11232	5.5
189.12796	4.6
191.10637	8.3
193.12256	16.8
199.06003	5.3
200.57195	1.9
207.13841	6.9
209.11771	12.1
211.13307	16.5
223.13361	2.3
227.12721	14.2
229.14310	4.4
255.16078	2.2
261.15009	2.0
265.14154	2.0
267.13474	2.6
267.15741	11.0
277.14380	2.3
281.17441	16.5
283.15347	15.5
285.16965	5.5
291.72919	1.9
305.14178	1.8
307.15335	1.9
353.15909	4.8
411.19870	1.9
429.21268	4.7
437.25452	6.8
473.29102	24.7
481.20709	2.7
482.98282	1.9
491.29730	8.9
581.29669	2.6
635.34424	12.9
636.31531	2.7
653.32080	25.0
661.24799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Haplophytine
Peak:m/z	Relative Intensity
51.07770	1.2
57.07063	1.2
61.29250	1.2
67.05508	1.9
69.27961	11.8
70.49648	1.2
73.05824	1.5
83.08600	1.3
98.21182	5.6
109.10158	1.2
123.11085	1.4
123.34769	1.1
124.30812	1.2
126.54272	1.3
126.85677	1.3
159.00446	1.3
179.07050	1.4
205.08565	1.6
298.29370	1.4
339.77646	1.3
343.39105	1.2
390.18643	1.4
391.19254	4.8
392.19891	2.0
405.20755	8.7
406.21527	8.0
419.22604	2.1
420.23206	6.2
421.23859	10.5
433.20004	2.6
436.18787	2.9
450.20590	2.4
452.22269	2.5
460.22760	2.3
465.22864	37.0
466.22891	2.3
473.19370	1.7
475.24927	1.9
478.24527	1.3
479.24292	6.3
480.25137	3.7
487.21109	2.7
488.22229	5.1
492.21564	1.5
503.24399	45.9
504.25381	2.0
507.27664	2.8
535.27063	37.8
536.27826	1.6
551.26367	4.2
561.25122	2.3
579.26007	32.6
593.27258	2.7
594.28363	19.1
621.27216	19.4
643.98267	1.4
653.29675	100.0
654.30139	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	653.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.6
55.01871	19.3
55.05513	36.4
56.33454	1.7
57.03442	18.1
57.07071	6.8
58.02173	2.1
59.04993	4.4
61.27644	2.1
65.03946	5.4
67.05506	73.7
67.05866	3.8
68.05832	2.5
69.03432	32.8
69.07069	14.6
69.45477	12.9
71.01353	6.2
71.04990	11.4
73.02905	5.0
76.81501	2.1
79.05050	3.3
79.05495	47.4
81.03419	100.0
81.07056	45.3
83.01319	2.4
83.04986	24.0
83.08621	16.1
85.02905	16.0
85.06541	5.8
85.91658	1.7
91.05481	36.3
93.07049	37.5
95.01337	2.3
95.04961	26.6
95.08616	18.1
97.02893	31.7
97.06528	7.8
97.10182	13.1
98.20975	7.2
98.21545	2.1
99.04472	7.1
99.08090	3.0
101.02375	2.8
103.05508	2.4
105.07033	23.5
107.04962	19.8
107.08589	21.6
109.02878	19.0
109.06509	9.1
109.10165	32.4
110.10458	2.7
111.04432	15.8
111.08076	8.8
114.15669	1.8
115.03929	3.9
115.05478	2.2
117.07021	11.0
119.04971	3.0
119.08596	17.1
121.06503	6.5
121.10136	16.3
123.04451	8.9
123.08085	8.3
123.11739	3.7
125.02341	4.2
125.05981	3.4
125.09635	14.2
127.03934	15.0
128.06226	2.3
129.05490	5.5
129.06989	11.7
131.04919	3.0
131.08568	12.3
133.06479	2.9
133.10165	9.7
133.10970	1.8
135.04411	5.5
135.08070	5.5
135.11696	13.3
137.05995	3.6
137.09625	4.9
139.11197	2.5
145.06442	2.3
145.10136	15.5
147.04414	5.2
147.08049	4.6
147.11726	7.1
149.09613	6.0
151.03970	2.9
151.11182	2.1
153.01915	2.3
153.12770	6.1
155.08565	2.7
155.10707	2.6
157.10112	6.8
159.11739	3.4
161.05981	2.8
161.09676	5.7
163.11182	18.3
165.12749	3.1
167.07100	3.3
169.10130	2.9
171.11699	3.7
173.04424	9.7
173.09590	4.7
173.11797	8.9
175.11214	4.3
181.04849	3.0
181.12202	5.3
189.09244	2.8
191.10675	8.8
193.12259	7.1
199.05925	2.9
199.13281	4.1
207.13881	2.4
209.11685	15.3
211.11438	2.1
211.13293	8.2
223.13332	2.4
227.12804	14.8
229.14360	11.8
230.14764	3.6
255.16013	2.3
265.14365	2.2
267.15985	6.0
283.15445	13.4
301.16495	2.9
353.15784	4.2
419.24130	6.3
437.25409	9.3
455.26862	3.7
456.26654	5.2
473.29166	2.7
491.25803	2.5
509.27765	2.1
516.91443	2.1
634.91748	2.6
635.30249	5.2
653.32013	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	24.9
55.01869	17.4
55.05517	37.6
57.03440	18.5
65.03956	6.3
67.05508	77.8
69.03440	41.7
69.07061	17.5
69.39573	6.9
69.39979	24.2
71.04987	12.5
73.02925	5.4
79.05493	96.5
79.05957	5.6
81.03419	100.0
81.07060	76.4
83.01344	8.3
83.04987	36.0
83.08626	14.3
85.02905	17.1
85.06543	7.9
91.05478	83.1
93.07051	90.6
95.04964	42.1
95.08608	38.4
97.02911	26.2
97.06525	12.8
97.10146	7.4
98.21152	18.8
99.04490	8.2
99.22505	4.2
103.05473	4.3
105.07032	55.6
107.04949	25.6
107.08604	34.9
109.02882	15.5
109.06514	12.7
109.10166	14.2
111.04439	20.4
111.08093	7.2
113.58527	3.7
115.05470	5.2
117.06997	21.0
119.04925	5.6
119.08579	40.6
121.06509	15.3
121.10160	20.3
123.08082	11.9
123.11703	4.8
125.05965	7.8
125.09686	6.0
127.03948	21.1
128.06223	7.2
129.05513	5.4
129.07018	31.8
131.08562	16.1
133.06506	4.9
133.10103	21.2
135.08073	4.3
135.11716	20.3
137.09671	3.7
141.07060	6.5
143.08568	14.2
145.06538	4.5
145.10138	28.6
147.04430	11.1
147.08061	8.8
147.11711	38.5
149.09601	4.7
149.13190	4.5
153.12750	13.6
155.08582	5.5
157.10156	6.4
161.09637	4.8
161.13300	10.8
163.11188	38.7
171.11687	31.3
181.12251	10.3
189.12782	11.7
191.10699	16.1
207.13800	28.4
209.11760	9.3
227.12679	18.6
256.43790	4.3
269.15338	7.1
281.17480	54.7
283.15369	34.8
287.16483	10.3
341.94116	3.7
353.16040	10.2
399.16675	3.7
425.21863	6.6
427.19681	17.8
471.27527	12.2
477.30429	4.5
489.28210	38.3
569.31232	5.4
633.32690	35.3
651.33899	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	651.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
57.03431	0.9
57.07058	0.7
61.02919	0.9
62.59486	0.9
65.03942	2.2
67.05509	8.6
69.03413	2.1
69.07069	4.2
70.60874	1.9
74.73492	0.6
79.05492	6.8
81.03420	2.7
81.07057	15.3
83.04997	6.0
83.08618	5.1
85.02914	0.8
91.05481	22.6
93.07047	15.9
95.04972	2.1
95.08038	1.4
95.08610	17.8
97.10166	1.0
98.21294	1.0
99.08093	2.9
103.05511	0.9
105.07036	17.8
107.08596	22.8
109.02921	1.0
109.06513	2.0
109.10159	10.8
111.08089	1.5
115.05401	1.1
117.07020	3.4
119.04951	28.1
119.08582	28.2
121.10146	14.4
123.08067	2.0
123.11728	4.7
125.09640	5.0
128.06230	1.3
129.07018	2.1
131.08577	13.7
133.10136	16.1
135.11694	6.0
137.09589	1.1
141.07024	0.9
142.07753	1.6
143.08559	10.1
145.10120	21.0
147.04413	100.0
147.11687	9.5
148.04790	1.1
149.09564	1.0
149.13269	5.5
151.11182	2.6
153.09088	0.8
155.08530	1.6
156.09300	1.4
157.10136	10.5
158.10930	1.4
159.11694	16.8
161.13249	8.1
163.03914	0.9
163.07562	1.6
163.11195	1.2
163.14850	3.3
165.05510	5.1
169.10112	4.2
170.10866	1.1
171.11691	7.6
172.12447	1.0
173.13271	12.0
175.14822	10.2
177.16420	2.7
182.10802	0.8
183.11679	5.4
185.13284	12.3
187.14824	21.0
189.09068	1.4
189.16403	5.4
191.14313	2.4
193.15944	0.9
195.11702	2.4
197.13315	3.5
199.14825	12.8
201.12746	0.7
201.16388	16.3
203.14296	5.4
203.17822	2.0
205.15900	7.0
207.17537	0.8
209.13321	2.3
211.14818	5.0
213.16396	11.2
214.16772	0.8
215.17877	1.7
217.15848	4.1
219.13887	1.6
219.17433	6.8
225.16440	2.5
227.17938	2.9
229.15958	0.9
231.13823	1.2
231.17525	3.9
233.15359	4.1
233.19016	1.7
237.16502	1.5
239.17992	2.2
241.19460	1.9
245.15308	3.7
247.16913	2.1
249.14799	5.1
251.18030	1.7
253.19568	2.0
255.21133	2.1
259.16870	2.8
267.21204	2.9
279.21097	0.8
281.22638	1.1
287.20065	0.8
299.20068	1.4
299.23312	0.9
319.24069	1.0
335.23627	1.0
387.30579	3.2
393.27921	2.4
405.31540	23.3
407.33334	6.6
421.31015	1.7
423.32535	6.2
433.30911	7.4
451.32083	12.4
469.33148	12.3
651.33118	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	652.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.89479	0.4
55.01865	0.5
55.90677	0.4
57.03434	0.6
69.03436	4.7
69.24478	0.4
69.44469	2.4
69.44875	0.8
71.04977	0.6
73.02907	1.3
81.03423	2.6
85.02905	3.1
87.04470	0.9
94.92639	0.4
97.02878	1.2
98.20785	0.8
98.21433	1.0
99.04452	0.9
108.04488	0.5
109.02892	2.3
110.45081	0.4
112.07127	0.4
112.39797	0.4
123.59521	0.4
127.03920	4.3
131.04916	1.0
139.03899	0.6
143.03351	0.4
147.04434	0.7
153.01823	6.7
157.02827	0.7
159.04434	0.5
163.03914	0.8
164.69591	0.3
171.02953	0.4
173.02386	0.4
175.03906	1.9
185.02362	1.0
187.03922	4.6
191.03445	0.8
201.01799	1.0
203.03378	2.9
213.01833	2.9
215.03336	3.2
219.02878	0.4
229.01341	1.0
231.02879	18.3
232.03256	0.5
237.53421	0.4
241.01393	3.0
247.02481	2.3
257.00793	2.5
259.02386	30.7
260.02838	0.6
275.01852	3.5
276.02643	1.7
277.03439	100.0
278.03787	1.7
285.00336	0.8
289.03491	0.5
303.01361	28.2
304.01630	0.9
321.02380	1.8
385.46475	0.4
447.05640	5.8
465.06674	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	652.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00803	0.4
60.04515	0.4
60.09014	0.4
63.53120	0.4
67.15459	0.5
69.03433	4.5
71.05002	0.5
73.02936	0.4
73.57306	0.4
81.03432	0.9
85.02924	2.0
97.02905	0.8
99.04447	0.9
105.96684	0.4
111.22519	0.4
127.03909	2.0
147.04317	0.6
153.01845	4.5
153.03020	0.6
157.02895	0.9
159.98309	0.4
175.03932	1.3
185.02344	0.7
187.03934	3.6
188.09273	0.4
203.03351	2.1
213.01811	3.0
215.03433	3.5
231.02884	15.7
231.05209	0.9
241.01343	2.2
257.00833	0.8
259.02390	25.5
260.02881	0.8
275.01788	0.9
277.03448	100.0
278.03757	1.3
285.00613	0.6
299.98065	0.4
303.01352	10.6
304.01456	0.6
321.02530	3.0
465.06726	1.8
514.70367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
51.31137	0.8
57.07044	0.9
62.91529	0.6
67.05428	2.1
71.08572	1.4
71.08934	0.7
71.49153	1.5
79.05408	0.8
81.06980	1.7
83.08549	1.0
91.05418	1.1
93.06980	1.0
95.08595	5.4
96.08894	1.0
97.10052	0.6
98.21049	0.9
105.06998	0.7
134.83427	0.7
159.10017	0.8
159.83224	0.8
215.12697	2.9
216.12985	0.8
231.83075	0.7
231.85948	0.9
313.27264	2.6
314.27902	1.1
374.16653	0.8
377.17807	1.2
387.15854	1.1
391.19250	1.2
399.16022	2.3
400.16922	2.6
401.17996	3.5
405.20349	0.8
406.21115	0.8
407.22256	2.5
411.16016	1.0
413.17746	3.2
414.18671	4.1
415.19308	9.4
416.20163	1.5
419.22842	1.4
425.17441	0.9
426.18301	1.0
428.20551	3.6
429.21201	8.6
430.21445	2.5
431.18414	1.3
435.21997	1.1
441.17068	1.2
442.17929	2.2
443.18469	3.8
443.22906	2.8
444.18625	5.1
445.20349	3.8
446.20547	0.8
447.17551	1.2
453.35635	1.0
454.36435	1.2
456.19684	1.9
457.20605	6.1
458.21368	3.7
461.19464	0.8
471.22217	6.8
472.22467	3.7
473.19449	5.1
474.20404	2.3
485.19809	2.4
486.20435	6.2
487.21286	2.8
488.21857	1.4
489.22534	2.8
490.19955	2.9
499.21295	10.5
500.21738	2.3
502.20135	1.4
503.24554	5.3
514.19653	0.8
516.21594	2.2
517.22321	10.0
518.82147	0.9
521.25330	1.6
527.20691	2.7
528.21655	1.4
530.22717	0.8
531.23956	14.2
541.22070	0.9
543.23682	1.3
549.25000	4.5
559.23425	93.4
560.23877	4.0
587.22943	19.8
591.25958	1.2
619.25525	100.0
620.25519	3.7
651.28131	18.7
651.44855	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	651.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
53.67783	0.5
55.05511	2.1
57.03431	2.2
61.02930	3.3
67.05508	7.4
69.03436	2.3
69.07061	1.8
69.61347	3.0
70.18621	0.5
71.04994	0.6
73.02926	2.7
79.05498	4.7
81.03429	3.9
81.07066	7.0
83.04988	1.4
83.08620	1.1
85.02918	3.0
85.06565	0.5
90.05093	0.5
91.03964	1.8
91.05460	3.0
93.07050	6.5
95.04973	1.2
95.08615	3.0
97.02921	3.6
97.06526	1.5
97.10186	0.7
98.21114	1.8
99.04465	0.9
99.08037	0.7
99.20350	0.5
101.02390	0.8
105.07042	2.6
107.04948	0.6
107.08604	3.9
109.02881	1.5
109.10159	1.4
111.04433	0.5
111.08090	0.6
115.05480	0.5
117.07028	1.3
119.08608	1.3
121.10152	2.0
125.09651	0.6
127.03944	0.8
129.07062	0.8
131.08577	1.2
133.10156	1.4
135.11703	3.9
145.10127	0.8
147.04391	0.7
147.11655	0.9
149.13309	1.6
159.11691	0.9
187.14738	0.6
193.12277	0.6
195.13809	0.7
207.13908	0.5
221.11530	0.9
235.13013	1.0
243.08408	1.9
269.17532	0.6
283.15723	0.6
291.15509	0.5
307.69754	0.6
341.75467	0.5
439.19443	6.7
453.21039	5.9
489.32037	0.6
644.56067	0.6
651.33484	100.0
652.33807	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	651.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	2.6
51.02374	3.3
53.03949	16.8
55.01861	11.4
55.05516	26.3
57.03433	16.8
57.07066	4.6
57.68131	2.4
59.05003	2.9
60.32933	2.3
61.02895	2.3
65.03937	3.8
67.05505	77.6
69.03429	35.6
69.07071	15.5
71.01351	5.0
71.04997	12.4
71.57373	3.9
72.63158	2.4
79.05493	82.4
81.03419	100.0
81.07057	55.8
83.04990	26.8
83.08632	12.3
85.02897	21.8
85.06548	5.0
87.59269	2.7
91.05482	69.7
93.07050	74.5
95.04974	39.9
95.08604	28.2
97.02885	18.4
97.06517	6.1
97.10165	11.2
98.21024	3.3
99.04449	11.5
103.05457	5.9
105.07037	42.7
107.04955	26.4
107.08613	21.9
109.02883	21.7
109.06510	9.5
109.10150	26.8
111.04442	11.8
111.08068	6.2
115.05463	3.7
117.07023	20.1
119.08578	26.8
121.06523	7.1
121.10155	17.6
123.04433	9.8
123.08071	10.7
123.11739	4.2
125.09637	10.1
127.03931	19.0
128.06279	3.4
129.05548	2.9
129.07033	20.3
131.03444	2.6
131.08597	13.6
133.06490	5.2
133.10120	12.6
135.04404	7.9
135.08070	7.2
135.11682	8.0
137.09631	2.9
141.07016	3.0
143.08527	7.9
145.06471	6.1
145.10104	19.5
147.08072	5.7
147.11713	28.4
149.09579	4.4
152.44533	3.1
153.05540	3.4
155.08626	4.4
157.10207	6.5
159.08063	3.5
159.11638	5.1
161.09657	5.4
161.13266	8.8
163.11195	11.4
165.09105	3.4
167.08665	2.8
169.10191	4.9
170.53195	2.7
171.08102	3.7
171.11699	26.7
173.04489	27.9
173.09689	4.1
173.11661	2.9
173.13184	3.1
174.46390	2.7
177.12775	2.9
181.12259	6.1
183.06581	3.2
185.13734	2.3
186.30554	2.6
189.12735	9.5
191.10605	6.1
193.12221	4.3
199.05986	12.3
207.13861	26.9
209.11708	13.1
227.12822	10.1
229.14270	5.5
261.14804	3.6
265.14420	3.5
273.97171	3.1
281.17484	34.1
283.15408	10.6
287.16550	4.6
309.17264	3.4
353.16019	4.7
427.19659	7.5
435.27536	19.3
461.29019	3.5
471.27310	5.1
489.28308	32.3
497.30621	2.6
507.29514	3.7
633.32471	11.7
651.34082	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	649.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38621	2.3
50.39436	2.6
53.03946	17.0
55.01854	8.0
55.05514	22.1
56.99024	2.2
57.03424	11.0
60.12011	2.3
65.03928	5.1
67.05164	4.5
67.05502	63.7
69.03430	23.8
69.07062	13.6
69.63167	11.3
69.63593	7.0
71.04987	5.4
79.05495	100.0
81.03419	39.2
81.07062	60.1
83.04987	16.5
83.08604	9.4
85.02903	12.9
90.41281	2.6
91.05484	83.7
93.07047	83.4
95.04962	29.6
95.08604	29.3
97.02913	9.1
97.06537	7.9
97.10228	2.9
98.21176	9.7
99.04459	3.1
100.43412	2.5
103.05458	5.9
104.74822	2.9
105.04527	3.7
105.06369	5.0
105.07028	59.8
107.04955	18.4
107.08611	25.9
109.02858	4.2
109.06533	8.3
109.10150	9.6
115.05465	6.6
117.07012	24.6
119.08578	33.7
121.06488	6.7
121.10116	5.0
123.08045	8.1
123.96072	2.6
127.03835	2.9
128.06236	7.3
129.05550	2.9
129.07013	35.6
131.04932	4.3
131.08577	24.1
133.06467	5.3
133.10167	18.1
135.08023	4.4
135.11670	4.5
135.22830	3.2
135.30334	2.6
141.06978	5.7
143.08592	23.2
145.06476	7.4
145.10138	12.5
147.08046	7.8
147.11690	38.2
155.08588	6.2
157.06496	4.4
159.11714	4.7
159.94093	3.0
161.09579	6.1
161.13258	12.3
163.11229	3.5
167.08553	6.7
171.08138	5.3
171.11694	37.6
171.33443	3.4
173.04446	7.9
175.07614	3.9
179.14319	3.8
181.10175	3.8
185.09583	3.8
185.13177	3.8
189.12808	17.9
194.56436	3.2
207.13792	45.0
219.13809	2.7
223.14804	5.3
241.15906	7.8
251.14285	5.3
259.16919	7.3
263.16278	3.1
269.15344	13.3
279.15805	4.5
281.17490	64.5
287.16431	13.9
309.16943	3.2
315.16034	3.2
333.17310	2.7
361.19955	3.9
425.21774	6.5
487.30591	34.4
501.32312	3.5
541.31818	4.8
567.32825	5.1
631.34747	5.8
649.36163	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	650.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.07079	0.2
58.06636	0.5
59.07407	0.2
60.08167	5.7
67.05502	0.6
69.68562	0.2
69.68970	0.7
71.07378	2.7
71.08601	0.3
81.07048	0.2
86.09710	30.6
87.10072	0.1
95.08600	0.3
98.98471	2.8
104.10748	2.2
109.10184	0.5
125.00011	19.3
127.95585	0.1
143.01071	0.3
184.07349	100.0
185.07747	0.4
244.13992	0.1
285.00064	0.2
304.43921	0.1
330.85504	0.2
407.82825	0.2
481.43909	0.2
496.34052	0.2
509.38605	0.2
650.43945	6.5
651.44116	0.3
667.57629	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	648.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01877	1.7
55.05510	11.9
55.60858	0.9
57.03427	2.7
57.07082	8.8
60.43169	0.8
61.11962	0.9
65.03931	1.8
67.05499	9.9
69.03422	4.2
69.07069	9.7
70.85899	1.9
71.04996	5.8
73.06561	3.6
78.75333	0.9
79.05489	9.3
80.07507	1.0
81.03403	1.4
81.07062	23.5
83.04987	30.1
83.08607	3.5
85.02895	3.2
85.06539	7.6
86.09701	1.4
87.04423	1.2
91.05486	7.0
93.07050	17.3
95.04976	5.4
95.08608	25.9
97.02881	2.4
97.06542	6.6
97.10162	3.4
99.04465	5.0
99.08079	3.0
100.60300	1.0
105.06485	1.1
105.07045	12.1
107.04958	4.8
107.08591	20.7
108.13488	0.8
109.06513	7.3
109.10155	16.3
111.04451	1.7
111.08089	2.8
113.09637	1.6
117.06998	1.4
119.08595	15.3
121.06489	3.8
121.10146	16.7
123.04431	60.6
123.08045	9.9
123.11715	11.6
125.05991	34.4
125.09630	5.6
127.03893	1.2
127.07558	2.6
129.06989	1.5
131.08530	4.5
133.10141	15.4
135.08051	3.8
135.11697	9.1
137.05966	5.2
137.09598	7.3
137.13239	3.2
139.07515	2.6
139.11191	1.9
141.05490	1.6
141.09096	3.7
142.07785	1.1
142.76161	0.9
143.08519	3.6
145.10141	9.4
147.08080	1.9
147.11714	14.8
149.09604	9.1
149.13281	6.4
149.80048	1.0
151.07555	2.1
151.11194	6.7
153.09106	2.2
153.12660	0.9
155.08499	1.4
155.10664	1.4
157.10152	3.3
157.69302	1.0
159.08084	1.8
159.11717	9.2
161.09608	4.6
161.13255	3.4
163.07590	1.9
163.11136	5.3
163.14854	1.2
165.09111	26.8
165.12732	4.8
167.10689	28.6
167.14369	1.6
169.08644	11.2
169.10077	2.2
171.11717	2.2
173.09552	2.1
173.13284	5.0
175.11171	3.1
175.14784	2.8
177.09094	2.9
177.12796	1.8
179.10683	4.3
179.14319	1.7
183.11649	2.2
184.07327	2.6
185.09563	1.3
185.13258	2.6
187.11194	1.1
187.14824	4.1
189.12743	2.7
189.16415	10.6
191.10655	2.2
191.17906	1.5
193.08601	9.8
193.12224	4.1
195.10178	7.4
197.13245	2.1
199.14842	2.3
201.12776	2.0
201.16476	1.4
203.10730	2.4
203.17935	1.7
205.12209	2.6
207.10098	1.1
211.16766	1.1
213.16374	3.2
215.14299	3.4
219.13907	1.2
221.11687	6.6
221.18956	1.4
223.13283	6.3
229.14281	1.4
231.17285	1.2
239.17999	1.3
245.15273	1.4
249.18503	4.0
253.19458	1.5
257.18967	1.7
267.19574	2.7
271.20636	1.7
273.18289	1.1
275.20084	1.3
281.18967	1.1
285.22015	2.0
299.20209	1.6
309.22043	1.0
313.21603	3.0
315.19696	1.6
317.21030	1.5
327.23209	6.3
331.22629	3.6
333.24164	1.4
341.21091	1.6
345.24182	9.3
345.27771	1.6
349.23837	1.5
355.26221	4.0
359.22275	2.7
373.27396	6.8
377.23172	1.7
379.26340	1.8
387.29282	2.2
391.28720	5.2
397.27295	11.4
405.30447	1.0
415.28384	34.1
416.28769	1.8
433.29510	100.0
434.29791	3.9
451.30569	72.3
452.30640	2.3
515.03027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.302
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
54.48300	0.7
57.07066	0.7
57.21754	0.7
64.45777	0.6
71.18524	1.0
73.80180	0.7
76.80863	0.7
81.07069	1.0
81.20782	0.7
85.78738	0.7
91.97806	0.7
93.07023	0.8
94.22797	0.8
98.20979	0.9
105.07059	1.0
134.95825	0.8
149.83908	0.7
160.83295	0.8
307.12878	0.9
350.14706	0.8
403.19064	1.9
417.20911	2.7
430.17639	1.7
431.17847	3.7
431.23535	1.3
433.23846	3.1
444.19028	1.3
445.19861	5.3
446.20959	1.9
447.21817	1.3
459.22223	5.9
460.22870	3.4
461.23193	4.4
473.19067	5.6
487.20648	3.7
489.22766	0.9
501.22906	1.0
502.23593	2.9
503.24603	6.6
515.24878	1.3
519.23895	1.3
531.23669	0.8
546.26154	1.3
547.27185	10.9
561.24976	2.6
589.28052	21.0
590.29413	1.1
605.24188	0.8
607.29102	2.4
617.27820	0.9
649.30194	100.0
650.30591	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	648.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05019	0.7
56.77250	0.2
57.07068	0.3
58.06594	0.4
59.60931	0.2
60.07873	0.5
60.08165	6.8
62.48552	0.2
63.03235	0.2
67.05492	0.8
69.03447	0.3
69.07044	0.3
71.04998	0.3
71.07371	3.5
71.58236	0.3
74.06083	0.4
75.92467	0.2
79.05498	0.8
81.03410	0.8
81.07061	1.0
83.04997	0.3
86.09705	31.2
91.05484	1.1
92.07107	0.6
93.07045	0.9
95.08593	0.7
97.06515	0.3
98.98466	3.5
104.10744	2.0
105.07028	0.7
107.04969	0.3
107.08593	0.7
109.10194	0.7
119.08571	0.6
121.10175	0.4
125.00008	22.2
133.10132	0.4
135.11719	0.5
139.13792	0.2
145.10184	0.4
153.01738	0.2
165.09106	0.2
184.07343	100.0
185.07639	0.6
231.13237	0.2
278.07620	0.2
350.26825	0.4
386.29208	0.2
542.74164	0.2
648.35083	9.0
649.34949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22621	1.2
52.56071	1.1
55.01869	2.8
55.05516	8.2
57.03431	3.0
57.07073	11.1
67.05509	14.9
68.41693	1.2
69.03422	4.1
69.07079	10.1
71.04989	6.8
71.57491	1.7
73.06563	3.5
79.05499	9.3
81.03413	4.9
81.07064	30.3
83.04990	31.7
83.08607	5.5
85.02906	3.8
85.06541	8.2
85.57903	1.4
85.65959	1.2
87.04425	1.3
91.05481	10.3
91.83320	1.3
92.05811	1.6
93.07055	23.3
95.04959	6.5
95.08611	28.3
97.02907	2.3
97.06544	6.3
97.10162	2.4
99.04494	6.8
99.08096	4.6
105.07037	18.2
106.07411	1.5
107.04961	5.0
107.08603	21.8
109.06512	7.3
109.10167	18.8
111.04517	2.1
111.08105	2.5
113.06048	1.9
113.09662	1.2
117.07050	2.6
119.08582	15.9
121.06483	2.9
121.10142	18.1
123.04437	64.0
123.08042	9.7
123.11694	11.3
125.05997	35.5
125.06711	1.0
125.09637	7.6
127.07580	2.5
129.06996	2.2
131.08589	7.6
133.06396	1.5
133.10144	13.5
135.08051	3.5
135.11681	10.1
137.05984	5.0
137.09645	7.3
137.13281	2.8
139.07555	3.1
139.11200	2.4
141.05476	2.2
141.09100	4.2
143.08554	2.5
145.10098	8.4
147.04483	1.5
147.08028	2.7
147.11705	12.2
149.09612	10.3
149.13266	5.4
151.11197	8.1
153.01825	2.1
153.09084	1.8
156.09392	2.2
157.10147	3.7
159.08026	1.8
159.11678	9.9
161.09604	4.3
161.13268	6.1
163.07539	1.7
163.11171	5.2
163.14749	2.3
165.09129	33.2
165.12730	7.0
167.10690	28.4
169.00325	1.5
169.08633	13.0
169.09978	2.0
171.11720	3.6
173.09715	2.1
173.13252	4.2
175.11218	5.5
175.14856	3.5
177.09140	2.6
177.12794	1.6
179.10654	4.7
183.11752	1.7
184.07364	4.6
185.13286	2.3
187.11214	1.6
187.14827	5.3
189.12733	3.2
189.16377	11.6
191.14429	1.8
193.08620	12.9
193.12241	4.5
195.10190	13.3
195.82993	1.5
197.13367	1.8
199.14839	3.0
201.12761	3.3
201.16339	1.7
203.10635	3.0
203.17981	2.6
205.12196	1.9
205.15828	2.3
211.15031	1.6
213.12785	2.1
215.14328	2.0
221.11699	8.0
223.13315	5.2
249.14674	1.8
249.18556	6.1
253.19493	2.1
257.18942	1.9
267.15836	1.8
287.23264	1.2
299.20038	2.4
313.21573	3.4
327.23285	8.8
327.26926	2.1
331.22559	3.5
333.24124	2.2
337.49765	1.5
343.22629	1.5
345.24118	6.9
345.28085	1.6
349.23883	1.7
355.26157	4.1
355.60001	1.5
359.22174	3.2
363.25098	1.5
373.27362	7.2
377.23508	1.8
379.26086	2.5
387.29205	1.7
391.28375	4.9
397.27264	10.1
415.28436	41.0
433.29541	100.0
434.29855	4.2
451.30569	68.6
648.34418	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	646.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01862	0.5
55.05512	4.0
57.03428	0.8
57.07078	15.8
65.03939	0.6
67.05508	9.7
67.36610	0.3
69.03423	0.4
69.07067	3.6
71.04985	0.7
71.08634	11.6
71.58041	0.4
72.11723	0.3
75.04461	0.4
79.05492	5.1
81.03421	35.9
81.07059	11.2
83.04989	1.2
83.08620	10.2
85.10187	6.2
91.05486	6.6
93.07047	3.0
95.04974	9.2
95.08610	9.7
97.02877	0.9
97.06559	0.4
97.10154	2.3
98.98518	0.4
102.30274	0.3
105.07036	4.7
107.04952	2.5
107.08598	1.2
109.06523	1.5
109.10160	4.3
109.11636	0.3
111.04424	0.5
111.08095	2.0
111.11711	0.5
111.59136	0.3
115.05464	0.7
117.07001	0.5
119.04943	0.3
119.08574	3.8
121.06522	0.9
121.10162	1.6
123.08094	0.4
123.11709	1.6
124.01601	0.4
125.09667	0.4
129.07013	4.5
131.08572	3.5
133.06503	1.3
133.10126	1.5
135.08076	0.4
137.06013	0.3
137.09584	0.4
137.13336	0.4
142.07788	0.8
144.60565	0.3
145.10135	0.6
147.08092	0.9
147.11682	2.4
149.09619	1.7
155.00974	0.4
157.10126	3.4
165.12701	0.4
175.11186	2.4
193.12251	8.1
213.43275	0.3
231.13765	0.5
236.16489	3.8
239.23726	2.7
249.14946	2.0
267.15799	1.6
282.27921	1.3
313.27386	1.4
505.38892	100.0
506.39380	3.4
548.18591	0.4
605.58344	0.3
628.93799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03936	1.1
55.01866	1.5
55.05518	7.0
57.03442	8.1
57.07081	0.6
61.02923	2.6
65.03927	1.0
67.05508	38.0
69.07072	9.4
71.01354	1.3
71.04995	3.2
73.02914	0.9
79.05494	25.7
79.05960	1.2
81.03413	3.8
81.07056	31.5
83.04984	5.9
83.08622	6.2
85.02900	3.9
85.06547	2.6
91.03948	0.9
91.05481	13.7
93.07047	32.7
94.07394	0.7
94.68793	0.6
95.04958	4.2
95.08609	9.3
97.02900	1.3
97.06535	9.0
97.10177	3.9
98.20894	3.3
99.08108	1.1
105.07032	4.9
107.05000	0.8
107.08598	22.8
109.10147	3.7
111.08090	1.9
117.07018	4.5
119.08583	3.8
121.06529	1.4
121.10146	7.0
123.11707	1.6
125.09663	0.8
127.03943	0.9
130.10840	0.6
130.49702	0.6
131.08568	3.1
133.10161	5.1
135.08069	0.7
135.11697	24.1
145.10120	2.6
147.11815	0.6
149.13261	7.1
151.11252	1.0
153.12758	1.0
159.11635	2.9
163.11156	3.1
177.12755	1.5
181.12248	4.0
184.07388	0.9
195.13847	5.0
197.15511	0.5
199.13264	0.6
200.71271	0.6
213.14998	1.1
241.81967	0.6
255.15935	24.8
269.17493	18.0
324.03040	0.7
421.48526	0.7
449.28992	100.0
450.29211	2.8
506.96631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01872	1.4
55.05514	7.1
57.03184	0.8
57.03440	9.7
57.07070	0.8
61.02913	2.0
65.03959	1.2
67.05506	31.5
69.03437	0.7
69.07069	9.4
71.01359	1.3
71.04992	2.9
71.23746	1.1
73.02901	0.8
78.80832	0.5
79.05494	24.2
81.03430	3.5
81.07059	27.7
83.04992	5.3
83.08624	5.4
85.02880	1.6
85.06554	2.6
91.04960	0.9
91.05480	10.5
93.07046	35.1
95.04971	3.7
95.08612	7.1
97.02876	1.1
97.06546	7.4
97.10162	5.1
97.91809	0.6
99.08086	1.7
105.07012	3.7
107.04970	1.5
107.08598	20.1
109.06529	0.7
109.10175	3.0
111.08076	2.8
113.06096	0.5
117.07015	4.0
119.08602	3.3
121.06480	1.0
121.10157	7.5
129.06967	0.7
131.08557	2.5
133.10123	4.1
135.08063	1.4
135.11697	21.0
139.11188	0.8
145.10117	4.1
147.11694	0.9
149.13261	9.5
153.12758	0.7
159.11711	5.5
163.11188	2.1
177.12793	2.4
181.12254	3.1
184.07314	0.7
195.13817	3.9
199.13301	1.0
213.14845	0.9
251.15604	0.5
255.15918	30.0
269.17474	26.1
270.17816	0.8
372.80112	0.6
449.28992	100.0
450.29288	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	645.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.96558	1.0
57.03425	1.0
61.02924	1.1
69.03432	4.2
73.02913	0.9
75.90187	0.7
78.62563	0.7
79.01832	0.9
81.03407	1.7
82.99849	1.4
83.04988	6.2
85.02908	6.5
97.02882	2.8
98.97581	1.7
101.00868	5.6
108.78788	0.7
109.02887	1.4
113.00886	0.9
116.98635	0.9
119.01923	14.5
123.04408	1.3
127.02448	1.1
127.03928	5.6
131.01913	4.0
133.01614	0.7
133.03523	1.8
135.04440	1.5
137.02972	2.4
139.03905	2.0
142.05154	0.9
143.01909	17.3
145.01662	1.0
145.03497	6.2
145.04971	2.0
149.03006	1.0
153.00668	1.2
153.01839	10.2
155.01874	11.2
155.05507	0.8
157.00301	0.6
157.01582	0.7
157.03464	4.8
158.99762	0.8
159.05048	1.5
161.01682	1.3
161.02969	20.0
163.02686	0.7
167.01833	3.7
169.03436	1.7
171.05032	2.0
173.01581	1.1
173.02995	14.1
173.06613	1.7
175.02798	1.0
175.04504	2.1
177.00652	0.9
177.04279	0.8
177.06079	1.8
179.01930	2.5
181.03522	0.9
183.05019	17.3
185.02979	22.5
185.06616	1.2
186.03027	0.8
187.02820	1.1
187.04521	3.4
191.03694	0.9
196.04515	0.8
197.02979	8.7
198.98607	1.0
199.02692	1.0
199.08139	4.8
201.06091	100.0
202.06226	2.5
203.04013	7.8
209.02933	1.3
213.06088	1.2
214.50397	0.7
215.04066	5.0
215.07655	3.6
217.05785	0.9
217.09267	0.8
219.05211	1.3
219.07141	5.4
221.05022	5.0
223.04573	1.0
224.07669	2.5
227.04034	4.7
227.07620	1.2
229.01466	1.0
231.07166	1.5
237.02728	1.0
239.06140	0.9
243.07153	38.5
244.07347	1.5
245.05083	52.0
246.05269	2.8
247.02600	1.1
247.05020	2.8
257.00873	1.4
257.05042	2.0
257.08676	1.4
259.02490	1.0
261.08167	5.2
263.06192	7.5
271.03046	1.0
273.08136	1.0
275.01764	1.2
275.06119	6.7
275.09720	2.9
276.02490	0.9
277.03348	4.9
284.09732	1.1
285.00458	1.5
285.05481	1.0
285.08133	5.6
293.07175	1.8
303.01358	12.4
303.09271	16.5
303.12857	1.5
305.07156	7.2
321.10349	11.9
322.10751	0.8
335.08121	1.6
345.10526	4.3
353.11581	0.8
363.11374	53.3
365.09293	7.8
367.09763	1.3
375.11362	12.6
381.12454	2.4
387.11203	1.2
393.12396	4.2
403.00894	1.0
404.13968	1.5
405.12552	1.9
407.10065	0.9
423.13428	7.2
425.11319	4.1
435.13199	0.8
447.13370	3.6
463.05905	0.9
465.05508	3.3
465.14548	9.6
483.15714	3.7
558.85315	0.9
645.20923	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	643.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68509	0.5
51.02392	0.7
53.03952	1.1
55.01876	1.1
55.05509	2.7
57.03450	0.8
57.07085	1.1
65.03936	2.3
67.05511	6.1
69.03435	4.4
69.07072	7.1
71.05019	1.1
71.08638	0.8
71.57323	0.5
78.04721	2.2
79.01868	1.9
79.05490	4.7
81.03425	6.4
81.07063	12.4
81.07516	0.9
81.65765	0.4
82.04212	0.6
83.01348	0.9
83.04977	1.0
83.08614	4.0
85.02917	6.4
85.06567	2.1
86.09715	2.2
89.03886	0.7
91.05489	3.8
93.03440	0.9
93.07059	3.5
95.04977	2.8
95.08611	13.5
96.08951	1.0
97.02895	3.0
97.06510	1.6
97.10164	1.9
99.04473	1.3
99.08115	1.8
103.05473	3.7
105.04485	0.6
105.07047	4.0
106.04186	1.9
107.01324	1.6
107.04951	4.3
107.08599	2.9
109.02890	4.9
109.06508	1.5
109.10161	8.3
110.03677	0.8
111.04462	1.0
111.08090	0.9
111.11729	1.6
115.05449	3.7
117.07016	6.5
118.04158	0.8
119.04926	0.7
119.08601	1.4
121.06510	1.4
121.10140	2.5
123.04444	7.3
123.08077	0.9
123.11706	3.6
124.05204	2.3
125.00010	1.4
125.02362	2.7
125.06020	2.1
125.09642	0.8
125.13300	0.9
125.86015	0.5
127.03928	7.7
129.07033	0.6
130.04160	0.6
131.04927	2.0
131.08553	0.5
133.02820	0.7
133.06471	1.5
133.10133	1.6
134.03600	0.6
135.04439	1.4
135.08064	0.8
135.11725	1.3
137.06023	3.1
137.13280	1.9
138.03117	0.8
139.03915	1.2
139.11319	0.7
142.02646	1.0
143.03419	3.2
143.08606	0.5
144.05708	0.6
145.06500	8.6
145.10141	0.5
147.04398	1.1
147.08031	1.1
147.11732	0.7
148.05232	1.4
149.05981	1.7
149.09680	0.7
149.13264	2.5
151.03885	1.7
151.07535	1.8
151.11182	0.8
151.14815	2.1
152.04694	1.9
153.01837	86.2
153.05475	1.9
154.02179	0.9
155.06017	2.6
155.07185	0.9
155.08438	0.6
159.08177	0.5
159.11664	0.6
161.05969	2.2
161.09596	1.1
161.13226	0.6
163.07558	3.4
163.11143	0.7
163.14839	0.8
165.05466	1.4
165.09171	0.8
165.16380	0.7
167.07048	100.0
168.07393	2.7
171.02882	8.6
171.04265	0.9
171.06558	1.6
171.53827	0.5
173.05994	13.4
173.13150	0.6
173.52118	0.7
174.06334	0.9
175.07542	1.4
175.11185	0.6
177.05473	1.8
177.09012	0.6
177.16348	0.8
179.07024	1.0
179.10706	0.7
179.17865	0.8
181.04961	35.9
182.05280	1.2
184.07318	7.0
185.07664	1.0
187.07466	0.6
189.09148	0.9
190.06355	0.5
191.07025	10.8
193.05083	0.6
193.08580	0.9
195.06529	1.5
199.05978	1.4
203.06911	0.8
205.08583	4.3
207.06502	1.2
207.10094	0.6
208.07114	0.7
209.08057	1.6
217.08594	0.8
219.10190	1.0
221.08165	0.7
225.07520	1.4
233.08115	5.6
235.09651	4.3
240.04605	0.5
263.09161	1.5
275.27319	1.1
279.04858	0.6
281.28293	0.7
293.28333	1.8
297.05957	3.1
305.07965	0.5
311.29358	2.0
315.07104	12.7
325.10678	0.8
337.10840	0.6
344.12463	0.6
357.13376	0.9
385.12860	4.4
387.14389	10.1
388.14658	0.7
399.14441	1.2
401.29831	0.8
409.27307	0.7
417.15433	44.2
418.15836	2.7
445.29327	1.0
461.32687	1.3
462.32700	1.5
463.33722	3.8
480.34085	0.7
481.34131	1.5
577.64020	0.6
643.23572	3.5
643.33478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03933	0.8
55.01859	1.0
55.05510	3.7
57.07067	2.3
62.28448	0.5
65.03934	1.6
67.05508	7.3
69.03440	4.9
69.07072	9.3
71.05003	1.4
71.08619	1.2
71.23200	0.9
79.01850	2.4
79.05495	3.4
81.03429	6.0
81.07064	19.0
81.93538	0.7
81.94471	0.6
82.07407	0.6
83.04992	0.9
83.08617	5.8
85.02905	4.7
85.06550	2.6
91.05492	3.0
93.07056	5.1
95.04960	1.7
95.08611	18.1
97.02903	4.9
97.06523	1.1
97.10181	3.8
99.04453	1.0
99.08092	1.5
103.05457	1.7
105.07049	2.9
106.04158	0.8
107.01316	2.1
107.04961	1.9
107.08591	5.7
109.02901	5.2
109.06510	0.6
109.10161	11.2
111.04428	0.6
111.08113	1.7
111.11730	3.1
113.09656	0.8
115.05457	1.2
117.06992	1.8
119.04923	0.6
119.08546	1.9
121.06470	0.9
121.10143	3.5
123.04420	1.5
123.08075	0.7
123.11704	7.7
124.05214	1.0
125.02354	3.9
125.05956	1.3
125.13285	2.2
127.03926	6.4
127.11208	1.1
131.04913	2.1
131.08598	0.7
133.06516	0.9
133.10167	1.5
135.08061	0.6
135.11703	2.5
137.05978	1.5
137.13251	5.4
139.07579	0.8
143.03404	4.1
145.04956	0.6
145.06526	2.2
145.10088	1.1
147.08009	1.1
147.11757	1.1
148.05161	0.6
149.13260	6.2
151.07561	1.4
151.14830	2.1
153.01836	100.0
153.12750	0.7
155.14322	1.2
159.40715	0.5
161.06000	1.4
161.09662	0.8
161.13112	0.6
163.07535	2.1
163.14816	2.3
165.05554	0.5
165.09186	0.8
165.16435	1.1
167.07054	25.3
167.14326	2.2
171.02907	8.6
173.06026	2.5
175.07651	1.3
175.14908	0.6
177.05539	1.1
177.16440	1.0
179.10736	1.0
179.17909	1.3
181.04976	14.1
191.07024	7.7
191.17929	1.4
195.06665	0.6
200.01714	0.6
205.08604	1.0
205.19495	0.9
207.10303	0.6
219.10155	0.6
225.07605	1.3
233.08020	1.4
235.09599	0.8
263.09271	1.2
275.27356	2.3
281.28452	2.1
293.28351	5.9
297.05984	4.7
311.29471	1.5
315.07111	14.8
385.12805	2.3
387.14432	1.1
401.30399	0.7
417.15417	7.3
419.31461	0.6
429.98334	0.5
445.29373	1.1
463.34076	0.7
481.04880	0.6
481.32037	0.9
643.23547	2.2
643.35333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
51.17364	0.4
53.03928	1.1
55.01862	1.2
65.03944	3.7
67.05511	2.3
69.03441	0.9
69.07089	0.5
71.08965	0.8
78.04713	2.6
78.49610	0.4
79.05489	3.4
81.03404	1.2
81.07040	1.5
82.04202	0.6
83.04948	0.4
84.20910	0.3
85.02905	2.5
85.06548	0.4
89.03876	0.5
91.05487	4.2
93.03394	1.2
93.07021	1.7
95.04977	2.7
95.08626	0.9
97.02887	0.8
97.06512	1.0
103.05468	4.5
105.03400	0.4
105.07019	1.5
105.38612	0.4
106.04195	1.9
107.04958	4.6
107.08588	0.9
109.02853	0.6
109.06525	1.0
109.10129	0.7
110.03658	2.0
111.04417	1.4
115.05454	6.9
117.03361	0.5
117.07024	9.4
119.04937	1.4
119.08514	1.0
121.06501	2.7
121.10163	0.4
123.00798	0.5
123.04421	8.9
123.11759	0.6
124.05226	3.1
124.43417	0.4
125.05996	1.7
125.09642	0.5
127.05413	1.4
130.04102	0.7
131.04939	2.7
133.06468	0.7
133.10078	0.4
134.03621	1.2
135.04440	0.7
135.08040	0.5
135.11691	0.6
137.05975	4.3
138.03123	0.8
139.03882	0.6
140.04655	1.0
142.02608	1.1
143.04907	1.0
143.08536	0.4
144.05678	0.5
145.02872	0.9
145.06487	13.5
147.04395	2.3
147.08008	1.3
147.11652	0.4
148.05141	0.8
149.05989	3.1
151.03902	2.7
151.07553	5.0
152.04691	2.1
153.01799	1.4
153.05490	2.2
155.04842	0.6
155.06023	5.2
155.07135	0.7
159.04413	0.8
159.11739	0.5
160.05176	0.6
161.06026	1.2
161.09612	0.5
163.03909	1.2
163.07559	1.2
165.05484	1.1
167.07045	100.0
168.07339	0.8
171.06508	2.4
173.05984	21.6
174.06662	0.6
175.07578	2.1
176.04686	0.8
177.05502	4.3
177.09222	0.5
179.07024	1.5
181.04967	50.0
181.08473	1.3
182.05373	0.9
191.07060	4.2
191.10703	0.8
192.07748	0.6
193.08627	0.6
195.06531	1.2
201.05420	1.0
203.07018	3.0
205.08591	5.4
209.08035	3.7
217.08682	1.0
219.06520	0.8
219.10149	0.5
221.08018	1.1
224.08414	0.5
225.07684	0.4
231.06567	1.1
233.08035	5.5
235.07492	0.8
235.09671	7.9
250.06229	0.5
263.06873	0.4
265.08633	0.8
293.08057	1.0
295.09592	0.6
297.11227	0.9
301.10229	0.4
303.05054	2.8
310.08319	1.2
325.10687	1.3
326.11298	0.5
329.13907	0.6
344.12436	0.4
353.10092	0.6
357.13370	6.3
367.11642	0.6
369.13300	0.5
385.12836	33.5
386.13336	1.4
387.14407	6.6
399.14359	1.0
415.14005	0.8
417.15457	12.5
418.15665	0.5
427.28302	0.5
478.87427	0.4
515.17035	0.5
613.22534	0.4
643.23853	43.9
644.24280	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	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03925	1.5
55.01858	1.8
55.05490	1.7
57.07053	0.5
65.03940	3.2
67.05508	3.5
68.99745	0.5
69.03407	1.8
69.07040	1.5
71.56326	0.6
78.04716	2.9
79.05124	0.4
79.05496	3.8
81.03397	1.3
81.07061	3.4
82.04181	0.9
83.04960	1.0
85.02914	2.9
85.06513	0.9
86.09692	0.7
91.05479	5.4
93.03371	1.4
93.07055	3.0
95.04977	2.8
95.08585	3.1
97.02908	0.8
97.06515	1.3
99.04417	0.6
101.06040	0.7
102.04680	0.8
103.05466	4.0
105.03377	0.6
105.07008	1.9
106.04157	1.9
107.04952	5.1
107.08565	1.5
109.02831	0.6
109.06528	1.2
109.10140	1.5
110.03632	2.1
111.04453	1.1
111.08063	0.8
115.05463	6.1
117.03334	0.6
117.07026	8.9
119.04899	0.6
119.08544	1.8
121.02911	0.9
121.06500	3.1
121.10110	0.9
122.03610	0.6
123.04424	8.1
123.08038	1.8
123.11653	1.0
124.05231	4.2
125.05976	2.3
125.09679	0.6
127.05448	1.1
129.07008	0.6
130.04124	0.7
131.04930	2.8
133.02789	0.5
133.06461	1.3
133.10118	1.3
134.03586	0.9
135.04390	1.4
135.08051	0.7
135.11725	1.0
137.05969	3.0
137.09532	0.5
138.03108	1.2
139.07515	0.6
140.04729	0.8
142.02591	1.4
143.04912	0.9
144.05609	0.6
145.02872	0.7
145.06483	14.5
145.07625	0.7
147.04362	1.3
147.07951	0.9
147.11740	0.9
148.05119	1.2
149.05959	3.5
151.03944	2.2
151.07544	13.9
152.04697	2.3
153.01845	2.6
153.05464	2.1
154.02240	0.4
155.06035	4.8
155.07108	0.6
157.06447	0.7
158.03636	0.5
159.04445	1.0
160.05202	0.7
161.05942	1.9
161.09610	0.9
163.03902	1.3
163.07507	1.1
163.11176	0.7
165.05466	1.5
165.09174	0.6
167.07037	100.0
168.07413	1.6
171.06517	1.9
173.05988	19.9
173.13402	0.7
175.07541	2.0
177.05487	3.8
177.09100	0.6
179.07011	0.7
181.04955	51.9
181.08514	1.6
182.05365	0.8
184.07385	1.5
185.13173	0.6
189.05415	0.7
189.09122	0.5
191.07043	4.3
191.10663	1.9
191.14415	0.5
192.07777	0.8
193.04836	0.7
193.08559	0.9
195.06511	1.8
201.05522	0.7
203.07010	2.2
205.08575	5.9
207.06451	1.3
207.10146	0.5
209.08055	3.4
217.08635	1.3
219.06442	0.9
221.08090	0.7
222.06696	0.6
225.07631	0.7
231.06523	1.1
233.08083	5.9
235.09639	7.1
237.08983	0.5
250.06210	0.8
263.09302	0.8
267.06595	0.5
267.10129	0.7
277.25241	0.5
281.08130	0.6
283.09671	0.6
293.08173	1.3
297.11185	1.0
310.08356	0.7
311.99692	0.5
313.10651	0.5
325.10791	1.8
326.11273	0.7
329.10425	0.9
344.38239	0.5
353.10263	0.6
355.11935	0.8
357.13290	5.7
367.11444	0.6
369.13245	0.8
381.13620	0.5
385.12817	31.1
386.13287	1.3
387.14398	6.6
399.14374	1.3
415.13693	0.9
417.15457	12.9
427.27786	0.8
427.32718	0.7
491.23080	0.5
509.69290	0.6
643.23840	46.1
644.24121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.01865	6.1
55.05513	16.4
57.03434	12.2
65.03931	4.5
67.05506	46.5
69.03426	21.9
69.07080	13.6
71.04980	10.6
73.02944	2.5
79.05496	26.1
81.02975	4.6
81.03424	60.0
81.07055	49.8
83.04986	29.6
83.08630	13.6
85.02904	15.6
85.06536	5.3
91.05477	43.8
93.07043	25.9
95.04961	20.4
95.08591	14.3
97.02876	14.7
97.06487	5.0
97.10165	5.9
99.04471	4.1
103.05443	3.8
105.07038	39.8
107.04946	8.5
107.08597	30.1
109.02879	11.4
109.06528	8.6
109.10162	51.8
111.04452	12.7
111.08083	7.9
117.07047	6.7
119.08588	15.1
121.06473	4.4
121.10150	9.6
123.04422	6.9
123.08068	6.0
123.11716	11.2
125.05988	5.6
125.09617	3.3
127.03898	9.4
127.07545	3.3
129.05542	3.5
129.06990	7.2
131.04871	3.3
131.08559	9.9
133.06541	3.8
133.10133	65.6
135.11690	5.1
137.02356	4.8
137.05923	3.7
137.09685	2.6
141.06949	3.3
144.74760	2.5
145.06474	5.7
145.10127	4.1
147.08107	2.8
147.11685	9.6
149.05951	3.9
149.09564	4.6
151.07533	10.8
151.11192	28.4
153.01836	7.4
153.12737	2.9
157.10138	10.2
161.09669	3.2
163.07507	3.5
163.11284	6.4
167.07047	55.4
168.07356	6.1
169.12238	8.0
173.05942	7.8
175.11200	8.6
181.04951	19.6
191.07085	7.0
191.10559	4.1
193.12222	24.4
211.13263	32.4
215.12764	3.8
253.14349	100.0
267.15952	7.5
271.15411	21.8
285.16916	8.9
345.46948	2.7
355.17404	3.3
373.13651	3.1
385.12997	4.0
387.14188	3.8
417.15445	10.6
427.28152	4.5
429.15439	2.9
429.21152	12.6
445.25287	4.2
463.26871	17.2
463.34000	5.6
481.27939	23.7
481.34418	4.5
607.31171	8.1
625.32159	32.2
643.23810	6.4
643.34637	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41586	0.4
69.07022	0.4
71.49871	0.5
79.05456	0.5
98.21263	0.4
106.18995	0.4
119.08628	0.4
153.64281	0.4
172.14229	0.4
185.22498	0.4
212.56216	0.4
215.23206	0.3
252.49673	0.4
396.12103	1.0
397.13034	2.3
398.13721	0.8
399.14203	0.6
409.13022	0.8
410.13843	3.3
411.14532	5.3
412.15350	4.3
413.16135	1.8
423.14572	1.5
424.11261	1.5
424.16360	2.4
425.16321	10.9
426.16980	8.5
427.17520	2.3
428.18277	1.6
437.16037	1.2
438.12213	2.9
438.17947	0.8
439.13525	12.8
440.13638	1.2
440.19394	3.6
441.19318	34.0
442.19525	3.3
451.13174	0.5
451.18448	0.5
452.14481	4.4
453.15381	15.9
454.15842	4.7
456.46323	0.5
457.15402	0.4
458.15802	0.4
463.14148	0.8
466.16855	0.6
467.17221	22.6
468.17844	14.7
469.18912	11.8
470.19104	1.1
471.16818	0.7
472.17371	0.6
480.17947	0.9
481.14804	14.4
482.15280	4.4
483.16251	0.6
485.18253	1.1
494.18396	0.5
495.16513	4.5
496.17062	19.7
497.17972	3.0
498.18958	0.7
499.20187	0.6
500.20917	0.5
509.18332	2.3
510.18872	0.7
512.20709	0.6
513.21985	0.6
514.23047	2.3
523.19550	1.2
524.20355	0.6
525.17017	0.5
525.42987	0.4
527.23535	2.7
528.19666	0.6
537.19202	0.8
540.19739	0.9
542.21613	1.1
551.19543	0.6
555.22467	26.2
556.22620	1.1
568.18823	0.7
583.21924	100.0
584.22076	7.5
586.20166	0.5
587.25549	1.8
611.21259	2.1
614.23914	1.1
615.24530	10.3
616.25140	0.7
643.23865	68.9
644.24115	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
57.03419	1.2
61.02920	1.2
61.73126	0.5
65.03932	1.2
69.03431	3.7
71.04993	1.0
73.02914	1.1
78.09338	0.5
81.03407	1.6
81.07053	0.7
83.23361	0.5
85.02479	0.6
85.02913	5.6
88.65800	0.5
91.03947	0.6
92.05015	0.9
92.80044	0.5
96.08132	1.5
97.02921	2.7
98.21054	0.6
99.04481	0.6
109.02863	1.7
109.06506	1.0
122.05984	0.6
124.07589	3.2
126.09158	6.4
126.62543	0.5
127.03970	1.1
137.05943	0.9
138.09126	1.5
148.04039	0.6
150.05492	0.9
152.07069	13.3
153.01833	1.8
160.09218	0.5
163.27010	0.5
164.03419	0.6
166.05009	27.5
167.07028	1.2
176.03435	4.6
182.04488	6.4
194.04462	3.0
199.08685	1.3
200.10715	1.0
209.10872	0.5
209.60219	0.6
212.09436	1.4
217.13370	0.5
225.10112	0.6
227.08188	0.7
227.11725	2.8
228.10265	1.5
229.09720	0.5
229.13330	0.9
233.09248	1.8
240.08960	2.0
241.09752	0.5
242.10466	0.8
243.11366	1.3
245.09297	0.6
253.09770	3.0
254.08054	0.7
255.11336	2.8
257.09210	1.4
257.12891	1.0
259.07095	1.1
261.12430	1.7
270.10117	0.9
271.10776	8.4
273.08792	0.7
273.12289	1.5
283.10764	31.2
284.11151	0.8
288.10992	1.2
289.11835	4.3
290.12637	0.6
301.11862	24.5
319.12885	100.0
320.13226	2.2
399.15491	0.6
481.18192	20.0
643.24561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01857	1.0
55.05484	0.5
65.03940	3.8
67.05482	1.9
69.03413	1.2
69.07069	0.4
71.13061	0.7
78.04708	3.4
79.05499	2.5
81.03381	0.6
81.07049	1.8
82.04169	1.1
83.04975	0.7
85.02887	2.1
87.98862	0.5
91.05478	3.6
93.03416	0.6
93.07027	1.4
95.04965	2.8
95.08577	0.9
95.61078	0.4
97.06523	0.8
98.21261	0.7
103.05457	4.3
105.03383	0.5
105.07008	1.5
106.04161	2.1
107.04958	4.0
107.08560	0.6
109.06487	0.6
109.10140	0.7
110.03640	1.1
111.04430	1.0
115.05451	6.6
117.07023	9.8
118.04145	0.6
119.04924	0.9
119.08577	0.7
121.02895	0.5
121.06522	4.1
123.04428	10.1
123.08041	0.7
124.05226	3.6
125.05990	1.5
127.03870	0.5
127.05468	1.5
128.06232	0.5
129.07031	0.6
131.04932	2.0
131.08655	0.6
132.05763	0.6
133.02811	0.4
134.03638	1.2
135.04436	1.1
137.05989	2.8
138.03133	0.9
140.04613	0.7
142.02661	1.4
143.04962	0.7
144.05695	0.8
145.02840	0.6
145.06488	13.2
145.07625	0.7
147.04420	1.3
147.08075	1.1
147.11725	0.6
148.05179	1.2
149.06007	2.9
151.03929	1.7
151.07567	4.8
152.04680	2.3
153.01840	0.9
153.05473	1.8
155.04909	0.7
155.06000	4.7
155.07042	0.6
161.05986	1.5
163.03857	0.6
164.61331	0.4
165.05475	1.3
167.07040	100.0
168.07410	1.3
169.12421	0.5
171.06548	2.3
173.05989	20.7
175.03845	0.5
175.07562	1.5
177.05476	4.1
179.07060	0.6
181.04951	44.8
182.05324	0.7
188.04640	0.5
189.05508	0.5
189.09009	0.5
191.07005	1.4
191.10672	1.0
193.08572	0.7
194.05652	0.5
195.06517	0.9
201.05489	0.8
203.07053	1.8
205.08620	5.4
207.10147	0.7
209.08078	2.7
217.08589	1.1
219.06517	0.6
221.08200	0.6
231.06398	1.0
233.08072	4.8
235.09688	5.3
237.09001	0.5
239.07210	0.5
250.06508	0.5
263.06860	0.6
264.07657	0.7
265.08710	0.8
271.09741	0.5
273.87042	0.5
282.09088	0.5
287.19467	0.5
293.08237	0.7
294.08859	0.7
297.11240	1.3
310.08353	0.8
311.08923	0.5
325.10718	1.3
338.08167	0.6
342.10837	0.8
353.10172	0.6
353.54187	0.5
357.13348	5.7
385.12811	32.0
386.13284	1.4
387.14340	6.1
399.14456	0.5
417.15411	13.5
418.15936	0.5
643.23828	41.7
644.24243	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	643.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61580	0.5
53.00285	0.4
53.03934	1.3
55.01854	1.7
55.05500	1.7
57.03426	1.0
57.07054	1.3
59.04986	0.7
61.02903	1.8
65.03951	2.2
67.05492	4.3
68.99780	1.4
69.03447	2.7
69.07069	3.8
71.01334	1.0
71.04983	0.6
71.57970	0.6
73.02917	10.4
78.04703	1.1
79.01865	0.6
79.05489	5.6
81.03402	2.9
81.07059	7.5
82.04186	0.4
83.01331	0.8
83.04973	1.2
83.08605	1.6
85.02914	3.4
85.06534	1.0
87.04448	0.5
91.05489	4.3
93.03423	0.6
93.07028	4.0
95.04973	3.8
95.08595	5.1
97.02875	1.5
97.06528	0.7
97.10165	1.0
99.04453	0.5
99.08086	0.7
103.05467	5.0
105.03349	1.0
105.07034	8.5
106.04154	0.9
106.07362	0.4
107.04954	2.5
107.08560	2.4
108.30102	0.4
109.02863	1.9
109.06503	0.9
109.10150	3.8
110.03635	0.6
111.00808	0.5
111.04437	1.1
111.08044	0.7
111.11711	0.7
115.03924	0.6
115.05453	3.9
117.07007	4.7
118.04153	1.2
119.04951	1.5
119.08561	1.4
121.02888	2.1
121.06506	6.9
121.10146	2.2
123.00740	0.7
123.04432	7.4
123.08108	0.5
123.11732	2.6
124.05190	1.9
125.02370	1.0
125.05977	1.6
125.09622	0.5
127.03911	2.6
131.04959	2.9
131.08598	1.1
132.05763	0.7
133.02840	1.5
133.06488	4.4
133.10136	2.3
135.04417	1.7
135.08022	1.1
135.11691	1.8
137.01338	0.8
137.02347	9.8
137.05969	2.5
137.09610	0.8
137.13239	0.8
139.00296	2.6
139.03911	0.8
139.07574	0.5
143.03395	1.1
143.04944	1.1
145.02859	0.8
145.06485	6.3
145.10074	1.0
147.04420	2.4
147.08035	1.0
147.11646	1.1
148.05215	1.1
149.02319	0.8
149.06021	3.2
149.09641	0.6
149.13242	1.3
151.03900	2.4
151.07507	2.2
151.14926	0.6
152.04730	1.1
153.01828	22.0
153.02835	0.9
153.05461	1.9
153.09076	0.5
155.06036	1.8
157.10098	0.6
159.04445	1.7
159.08104	0.7
159.11681	1.2
161.02330	1.8
161.05991	3.4
161.09596	1.1
161.13345	0.6
163.03909	8.7
163.07497	2.5
163.11125	0.5
163.14870	0.5
165.05479	1.1
165.09111	1.0
167.07040	69.8
168.07339	0.7
169.01326	1.9
171.02893	2.4
171.04330	0.9
171.06525	1.0
173.02444	0.9
173.05986	11.3
175.03885	0.6
175.07582	0.7
176.44270	0.4
177.05472	11.0
178.06184	1.5
179.03313	0.8
179.07039	0.7
179.10785	1.0
180.07880	0.8
181.01402	0.8
181.04959	23.8
182.05319	0.8
187.03830	2.2
187.07565	0.6
189.05470	1.1
191.03436	2.2
191.07010	6.6
193.04895	0.6
193.08636	1.5
194.09332	2.3
195.06494	1.3
195.10129	0.7
199.04015	0.6
199.06055	1.1
203.14171	0.5
205.04993	0.8
205.08588	2.6
207.02858	0.5
207.06516	0.6
207.10094	0.6
209.08101	2.0
215.03441	3.2
217.05064	0.7
217.08595	0.5
219.02898	1.6
219.10155	0.6
223.09586	0.7
224.10051	0.5
225.07640	1.5
233.04422	1.1
233.08069	4.4
235.09618	3.0
237.11295	0.8
243.02805	0.8
245.04405	1.1
247.02382	1.1
249.11168	0.8
261.03979	0.7
263.09143	1.0
267.10141	0.6
271.02457	1.1
273.03891	3.5
289.03418	46.2
290.04007	0.7
293.28339	1.1
297.06122	0.9
301.03427	1.7
302.03903	0.6
303.04984	6.5
311.29309	0.5
315.07559	3.4
317.02921	64.0
318.03394	2.0
319.04492	11.5
329.06561	0.5
335.00281	0.4
339.12656	0.6
343.04480	5.0
357.05994	0.7
357.13226	0.7
385.12918	2.8
387.14349	7.1
417.15421	34.9
419.07483	0.5
427.28259	1.1
445.29492	1.6
461.32428	1.4
462.32971	4.4
463.33588	2.4
480.33881	1.5
481.11435	3.5
481.34561	0.8
511.12363	100.0
512.12762	3.4
558.20093	0.6
642.38196	0.5
643.23187	2.3
643.37732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.8
55.73203	2.6
57.03429	5.2
57.07083	32.8
67.05506	38.2
69.07063	13.9
70.81023	3.1
71.08632	22.5
79.05502	19.5
81.07061	37.1
83.04987	7.7
83.08625	13.8
85.10181	10.4
90.80638	2.9
91.05486	16.7
93.07040	21.3
95.04985	5.8
95.08620	30.2
97.06543	3.4
97.10181	3.9
98.21264	15.9
103.53035	2.7
105.07028	6.4
107.08591	15.0
109.10165	7.8
117.07063	4.7
119.05331	2.5
119.08640	4.6
121.10164	8.8
123.11708	5.0
131.08569	3.1
135.11725	5.9
145.10133	2.7
149.13280	5.3
151.11201	4.9
158.40530	2.9
167.90442	2.5
195.13867	7.2
239.23819	5.3
269.17474	7.1
277.21848	3.0
313.27365	30.2
351.25250	3.6
357.70267	2.7
507.40488	100.0
508.40585	4.2
670.91046	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	643.1505
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
55.01854	0.4
57.03405	0.4
61.02931	5.0
65.03844	0.2
68.99783	0.4
69.03440	1.2
70.14563	0.2
70.52761	0.6
73.02911	1.2
81.03384	0.7
85.02913	4.4
91.03953	2.5
93.03352	0.5
94.63975	0.2
95.04971	0.3
97.02900	2.5
98.20790	0.3
98.21331	0.2
99.04403	0.3
107.04913	0.2
109.02855	0.4
111.04365	0.2
113.02341	0.3
115.03938	0.2
121.02868	1.0
123.04379	0.6
125.02312	0.3
127.03858	0.7
135.04411	0.3
135.80659	0.2
137.01324	0.3
137.02341	3.4
137.03371	0.3
139.00172	0.2
141.01840	0.3
143.04767	0.2
145.04912	0.4
147.04364	0.5
149.02307	0.4
153.01801	1.1
161.05945	0.2
163.03836	0.2
169.01332	6.5
171.02921	0.4
171.04404	0.5
175.03845	0.4
181.01297	1.4
189.05357	0.4
191.95816	0.2
199.03915	1.1
203.03410	0.4
215.82382	0.2
217.04990	0.9
227.03372	0.4
235.06044	0.4
245.04488	3.2
249.03909	0.2
255.02922	0.3
263.05539	0.7
273.03888	2.7
274.04468	0.2
290.04236	0.7
291.05188	0.3
301.03458	1.5
318.03662	0.2
319.04486	100.0
320.04810	1.6
481.09802	32.9
482.10028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3892
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03950	3.5
54.48546	0.5
55.01868	1.3
55.05514	6.8
57.03427	1.7
57.07064	2.1
59.37304	0.6
61.02912	2.0
61.90685	0.5
65.03933	1.6
67.05170	0.9
67.05507	13.2
67.34780	0.5
69.03435	7.3
69.06719	0.7
69.07074	12.0
71.04977	2.2
71.57118	0.8
73.02912	1.3
79.01861	1.4
79.05502	6.0
81.03421	7.6
81.06569	1.2
81.07059	23.7
83.01345	9.7
83.04972	1.6
83.08635	5.0
85.02908	14.8
85.06530	2.2
86.09695	1.0
87.04475	1.1
91.05489	4.9
93.07042	6.2
95.04961	2.1
95.08607	17.6
97.02899	7.2
97.06520	1.7
97.10165	2.3
98.21272	1.0
99.04459	1.3
105.07058	2.8
107.01302	0.5
107.04945	2.4
107.08604	3.3
109.02876	3.8
109.06515	2.6
109.10168	10.6
111.04553	0.6
111.08070	1.0
111.11728	1.0
115.03915	0.7
119.04961	1.0
119.08599	2.7
121.02849	0.6
121.06545	0.9
121.10129	4.2
123.11701	3.8
124.99967	1.2
125.02361	2.1
125.05939	1.4
127.03910	5.9
129.01859	3.3
129.06993	0.8
131.04982	0.6
133.06502	0.6
133.10126	2.4
135.04427	6.0
135.08081	1.0
135.11693	2.0
137.06000	2.2
137.09592	0.9
137.13263	2.0
139.03983	0.6
141.91754	0.6
143.03444	2.7
143.08568	1.0
145.04944	1.2
145.06470	0.8
145.10121	0.8
147.04369	0.8
147.08076	0.7
147.11682	2.3
149.09621	1.0
149.13277	1.7
151.07536	2.1
153.01833	52.0
153.05380	4.3
153.12688	0.6
154.02217	0.6
157.10130	1.3
159.11617	1.1
161.06000	0.9
161.09636	1.6
161.13191	0.8
163.03908	1.3
163.11296	0.8
163.14836	0.7
165.09142	3.7
165.10309	0.6
167.07085	4.6
171.02913	4.6
173.06026	1.2
175.11212	1.5
177.05504	0.6
179.10689	0.7
179.19409	0.6
181.04956	20.7
183.06525	1.2
184.07379	3.4
189.09096	0.9
191.10672	0.7
193.12201	0.9
195.04735	1.0
195.06528	18.0
199.06030	32.7
203.07047	0.7
203.10727	1.1
203.17799	0.6
205.08582	0.8
207.06583	2.1
209.08109	7.5
211.13315	0.7
217.12155	0.7
221.08177	1.8
223.09663	10.1
223.11650	0.9
231.10228	1.1
235.09694	3.1
237.11226	14.6
249.11229	14.8
251.12798	3.3
260.90057	0.5
261.11374	0.7
263.12784	3.2
265.14508	1.2
275.12808	0.7
277.14297	1.3
279.16031	1.3
291.15994	1.9
293.17477	1.7
297.06030	1.7
305.17459	1.6
307.18860	3.2
315.07062	6.4
319.19138	2.0
333.20685	1.1
349.23709	0.8
361.23856	0.8
375.25192	0.8
385.12778	0.6
387.14279	0.6
387.25598	0.9
417.15604	0.7
443.31906	8.0
455.29794	1.1
461.32648	100.0
462.32892	2.3
479.33713	41.5
480.34125	2.0
532.59088	0.6
623.37927	0.9
641.22119	1.3
641.39087	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
53.31128	0.6
55.01867	1.2
55.05252	0.8
55.05510	8.7
57.03423	1.7
57.07082	3.2
61.02916	2.0
65.03917	1.6
67.05165	1.0
67.05503	13.1
69.03427	7.5
69.07069	12.8
71.04984	1.5
73.02911	1.2
79.01851	1.1
79.05491	5.9
81.03415	7.4
81.07057	23.7
83.01344	9.3
83.04953	1.5
83.08617	4.8
85.02911	12.4
85.06538	2.9
86.09729	1.1
87.04457	0.9
89.33021	0.6
91.05473	4.6
93.07046	6.9
95.04973	2.5
95.08608	17.7
97.02892	5.9
97.06512	1.6
97.10169	2.4
98.21330	2.9
99.04449	1.4
105.07024	4.1
107.01228	0.7
107.04955	2.4
107.08610	3.2
109.02892	4.3
109.06501	2.3
109.10144	9.3
111.04442	0.7
111.11713	1.4
117.07066	1.0
119.05006	1.1
119.08595	3.5
121.06512	0.9
121.10149	2.7
122.41094	0.6
123.11717	5.6
124.99932	0.7
125.02357	1.5
125.06002	1.3
125.09609	1.2
127.03915	4.8
129.01840	3.5
131.08585	0.6
133.06493	1.1
133.10173	3.1
135.04402	6.7
135.11716	1.9
137.05925	1.8
137.09621	0.7
137.13251	2.0
139.03906	1.0
139.07584	0.6
143.03392	3.0
143.08536	0.6
145.04932	0.7
145.06544	0.7
145.10095	1.4
147.04445	1.0
147.08113	1.6
147.11703	2.0
149.05965	0.7
149.09584	1.0
149.13264	1.4
151.07526	1.9
151.14813	0.6
153.01833	53.5
153.02785	2.2
153.05383	4.6
157.05049	0.7
157.10132	1.2
159.11684	1.6
161.05980	0.7
161.09593	1.6
161.13365	0.7
163.03946	1.4
165.09129	3.6
165.12878	0.6
167.07048	4.0
171.02882	5.9
173.04501	0.8
173.05904	0.9
175.07527	0.8
175.11185	1.6
177.16359	0.9
179.07100	0.7
179.64119	0.5
181.04959	22.8
183.06575	1.0
184.07318	3.3
189.09161	1.6
191.07095	0.6
193.08644	1.3
193.12299	0.6
195.06534	17.4
195.08220	1.1
199.06023	34.6
203.10706	1.1
205.05046	0.7
207.06554	2.5
209.08076	6.9
209.11780	0.7
217.08624	0.6
221.08156	2.4
223.09657	11.3
231.10149	1.2
235.09694	2.3
237.11220	13.3
249.11215	13.4
251.12852	2.5
263.12830	2.4
265.14426	1.1
277.14465	1.3
279.15997	1.7
289.24957	0.6
291.15939	1.9
293.17532	1.5
297.06177	1.6
305.17447	1.6
307.19077	2.6
315.07025	7.7
317.17474	2.0
319.19003	2.9
332.12756	0.6
333.20670	1.2
361.23914	0.9
385.12567	0.9
443.31784	9.2
461.32657	100.0
462.33322	2.9
479.33722	36.8
480.34042	1.3
513.59503	0.6
547.01758	0.6
623.36542	1.0
641.22504	0.8
641.39044	17.2
649.82788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01856	8.7
55.05514	28.7
57.03434	12.2
57.07061	6.1
59.04996	3.2
59.09544	2.1
65.03932	6.5
67.05505	96.4
69.03423	24.6
69.07058	13.6
71.04993	51.4
74.00907	2.2
79.05492	43.2
81.03419	100.0
81.07050	55.5
83.01335	3.8
83.04980	26.9
83.08607	22.6
85.02903	25.8
85.06525	7.3
91.05477	49.2
93.07047	42.8
95.04981	26.4
95.08601	30.4
97.02902	17.0
97.06530	12.1
97.10153	7.9
98.20856	10.4
98.21547	3.6
99.04458	5.3
99.08082	2.9
101.32640	2.1
105.07022	29.4
107.04939	9.0
107.08577	21.2
109.02872	19.7
109.06515	12.3
109.10155	52.6
111.04445	12.7
111.08080	9.9
113.06026	3.2
115.05426	4.0
117.07005	9.5
119.08587	30.2
121.06502	8.7
121.10133	14.3
123.04407	3.7
123.08076	5.2
123.11690	7.2
125.06010	2.4
125.09592	3.4
127.03963	11.0
129.05496	3.2
129.06996	12.3
131.04935	2.7
131.08595	15.4
133.06410	4.7
133.10130	15.9
135.08052	6.8
135.11699	14.3
137.05952	4.7
137.09599	13.6
142.07806	2.6
143.08487	2.8
145.06465	3.7
145.09163	2.1
145.10083	10.6
147.08035	6.5
147.11687	13.7
149.05984	7.7
149.09613	7.1
149.13237	3.9
151.07550	5.0
151.11177	5.2
153.01842	4.5
153.05516	2.6
153.12660	2.4
155.10701	3.2
157.10149	11.7
159.08086	2.5
159.11691	4.6
161.09621	3.5
161.13318	2.2
163.07413	2.1
163.11194	8.5
165.09148	2.1
165.12842	3.4
167.07042	72.9
169.12242	6.2
173.04449	7.5
173.09557	2.3
173.11717	10.6
175.11200	12.1
177.12793	3.1
179.10649	3.6
181.04965	10.2
181.12204	5.9
184.07301	3.3
185.13469	2.7
187.13295	3.7
189.09111	3.5
189.12703	2.6
191.10698	2.9
193.12244	33.7
195.06528	5.0
195.13853	2.6
199.06001	15.0
199.11182	2.4
207.10005	3.1
209.08092	4.9
211.13289	52.1
223.09637	3.4
227.12743	4.2
229.14439	3.3
229.84247	2.5
235.13249	2.3
237.11172	3.0
243.15956	4.5
267.15887	12.1
269.17532	3.4
273.14725	3.0
285.16898	10.0
301.14438	2.8
321.19937	2.6
325.16446	6.2
347.31024	2.1
381.18903	5.0
403.24673	2.8
405.26187	2.7
421.25763	15.2
429.26175	2.7
437.29202	3.8
439.26871	15.1
443.31747	5.2
447.27219	13.0
453.28299	10.4
461.32410	15.0
465.28125	4.0
479.34131	41.7
497.30829	9.5
563.63373	2.3
573.30157	3.0
587.31122	2.3
591.31299	2.5
609.32593	9.8
609.42957	2.3
623.33777	8.2
641.34778	43.8
641.45947	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	641.1501
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.00301	0.2
53.03942	0.3
55.01840	0.2
57.03412	0.2
63.02371	0.6
65.03933	0.3
66.96389	0.2
67.05508	0.4
68.44549	0.2
68.99777	0.3
69.03429	0.6
69.07079	0.5
70.86099	0.4
70.86450	0.2
76.14213	0.2
78.04720	0.4
79.05473	0.5
81.03405	0.9
81.07041	0.9
82.91814	0.2
85.02889	0.7
85.06548	0.5
89.03917	7.3
91.05478	0.9
93.07047	0.5
95.04984	0.4
95.08598	0.8
97.02870	0.4
98.21141	0.3
99.04440	0.7
103.05487	0.4
105.04432	0.3
105.07026	0.6
106.04187	0.6
107.04932	0.2
109.02866	0.6
109.10170	0.6
110.06759	0.2
111.00814	0.4
117.03384	22.6
119.08543	0.2
121.02865	0.8
121.06463	0.4
121.10181	0.4
123.04472	0.2
123.11742	0.3
124.05238	0.3
127.03907	0.6
129.07071	0.3
131.04924	0.4
133.06468	0.3
134.03629	1.5
135.04398	1.5
137.02359	2.1
137.05949	0.4
145.02847	51.4
146.03201	0.9
147.04402	0.5
149.02299	0.4
149.05978	8.0
151.03848	0.2
151.07539	0.3
153.01836	5.2
153.02943	0.3
158.06012	0.3
161.05977	0.6
163.03899	0.7
165.01833	0.9
166.02698	0.3
167.07071	1.2
173.06056	0.3
175.07587	0.3
177.05473	100.0
178.05824	1.2
181.04980	0.8
183.02864	0.6
183.04387	0.3
186.05531	1.1
191.03456	0.2
191.06918	0.3
195.06551	0.3
201.05423	1.2
203.07147	0.3
205.05067	0.4
229.04977	3.3
233.08139	0.3
247.06021	0.5
254.30595	0.2
257.04547	1.8
261.07538	0.5
274.04849	0.4
279.08777	0.5
285.03973	0.7
303.04999	53.7
304.05237	1.0
321.09705	1.0
339.10751	6.4
345.05969	0.6
415.13559	0.3
424.87164	0.2
507.67676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97440	1.0
53.03934	4.6
55.01865	4.2
55.05307	1.3
55.05513	14.8
57.03445	6.3
57.07058	2.3
65.03931	2.6
67.01879	1.2
67.05506	39.3
69.03436	11.6
69.07078	10.8
71.04997	17.4
71.57529	1.5
72.31096	1.1
77.77509	1.1
79.05492	18.5
79.18053	1.0
81.03422	42.0
81.07056	34.7
82.03730	1.5
83.04980	16.9
83.08630	11.0
85.02921	10.6
85.06528	4.1
91.04968	1.7
91.05487	26.7
93.07051	28.9
95.04978	13.7
95.08137	1.2
95.08613	14.4
97.02906	9.2
97.06522	6.9
97.10173	4.9
99.04465	3.6
103.05476	1.8
105.07032	18.2
107.04941	6.7
107.08593	14.5
109.02897	9.1
109.06511	4.8
109.10158	20.4
111.04437	4.9
111.08079	5.6
113.06027	1.9
115.05480	2.0
117.06988	4.6
119.08593	13.1
121.06501	5.0
121.10135	10.2
123.04457	2.8
123.08047	3.8
123.11696	4.5
125.05973	2.4
125.09618	4.1
127.03915	6.2
129.05470	3.4
129.06985	6.9
131.04822	1.0
131.08609	7.4
133.06516	2.6
133.10120	10.6
135.08046	2.2
135.11690	9.1
137.05974	3.3
137.09619	4.8
139.07523	3.6
139.11166	1.2
139.86908	1.2
142.07718	2.0
145.06461	2.0
145.10094	5.7
147.04369	2.4
147.08047	3.5
147.11697	10.1
149.05972	7.2
149.09587	4.8
149.13246	4.1
151.07535	5.7
151.11179	3.8
153.01843	7.2
153.05495	1.8
153.09004	1.4
157.10156	6.9
159.08173	1.5
159.11742	2.4
161.09608	5.2
163.11182	4.9
165.09099	1.6
165.12729	2.1
167.07050	100.0
168.07375	1.6
169.12294	1.5
171.02907	1.9
171.06494	1.7
171.11752	1.5
173.04433	4.6
173.05867	1.8
173.09573	1.5
173.11673	3.5
175.11206	7.0
177.12677	3.3
179.10678	2.3
181.04933	5.9
181.12254	3.9
187.13312	1.6
189.09056	3.0
191.10686	2.0
193.12244	14.1
195.13737	2.2
207.10124	2.6
207.17230	1.1
209.11581	1.7
211.13310	22.4
227.12740	1.7
229.14400	2.0
231.13693	1.4
235.13185	1.1
249.14848	1.7
253.14383	2.1
267.15991	9.9
269.17532	8.8
277.14642	1.3
284.15631	1.2
285.16943	4.9
301.14188	1.5
307.15479	1.4
315.07190	1.1
325.16312	1.5
335.18350	1.5
355.17426	1.5
370.41098	1.3
381.18994	1.6
387.25351	2.1
393.19095	1.5
421.25745	3.9
429.20789	1.4
435.27148	1.5
439.26859	5.3
443.26984	1.5
443.31683	3.6
447.27353	3.6
453.28656	2.8
461.27921	8.9
465.28357	1.4
479.29788	6.0
479.33847	4.1
497.30954	3.3
591.31604	1.7
609.32880	2.7
623.33813	5.0
641.22760	1.8
641.35089	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05514	18.6
57.03433	3.3
57.07083	11.9
57.14891	1.3
67.05508	18.9
68.13859	1.0
69.03417	1.7
69.07060	8.1
70.92856	2.8
71.08637	10.3
79.05500	17.0
81.07066	14.0
83.04988	2.5
83.08616	12.0
85.10178	3.5
85.15657	1.1
91.05459	6.4
93.07037	8.7
95.08600	9.8
97.10174	25.9
98.21122	1.9
105.07018	7.0
107.08602	23.2
109.06487	1.6
109.10171	8.3
111.08125	1.6
117.07011	3.4
119.06134	1.1
119.08598	2.4
121.10160	1.7
121.22199	1.1
123.11655	1.8
125.09634	22.5
131.08586	2.4
133.10124	4.1
135.08101	2.7
135.11661	1.3
143.10666	1.7
145.10141	6.1
147.11681	4.2
149.09599	2.0
153.09085	1.7
159.11670	1.9
171.10194	2.1
171.11641	2.2
183.11761	1.5
189.11230	13.1
224.59663	1.1
227.12791	100.0
228.13097	1.3
239.17944	1.4
239.23753	1.4
257.18982	5.1
275.20071	19.8
313.21762	1.5
313.27359	28.1
331.22684	2.9
349.23718	14.6
468.87704	1.2
483.36926	8.6
587.46649	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01864	3.8
55.05502	14.6
57.03438	11.4
57.07075	40.3
58.82645	2.0
67.05503	48.9
67.94917	2.1
69.07065	19.0
70.91432	5.8
71.08636	28.1
79.05492	30.4
79.30564	2.0
81.03439	3.3
81.07054	50.3
83.04968	5.4
83.08612	16.3
85.06541	3.9
85.10194	15.7
87.91570	2.1
89.06037	4.4
91.05486	29.4
93.07042	37.8
95.04965	7.7
95.08608	32.6
97.06535	9.3
97.10172	8.1
98.21101	3.5
105.07027	21.9
107.04949	2.7
107.08602	22.6
109.06503	3.1
109.10156	14.7
117.07021	10.6
119.08630	10.7
121.06471	2.6
121.10165	11.2
123.08045	3.5
123.11713	6.8
129.07059	3.5
131.08577	10.5
133.10123	14.7
135.11710	9.7
145.10129	5.8
147.11748	6.1
149.09676	4.5
149.13243	6.4
153.93280	2.7
159.11716	8.9
163.11176	4.8
173.13249	3.5
177.12793	3.2
195.13832	4.3
239.17946	3.2
239.23787	5.2
255.15892	13.8
257.18988	5.2
267.15787	2.7
269.17542	14.7
275.20102	25.0
313.27347	64.1
349.23831	10.6
367.24954	2.5
386.29721	2.9
493.38794	22.6
501.46417	2.2
507.40463	100.0
507.48019	5.0
587.46503	6.1
605.47168	2.8
617.97577	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	639.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20486	0.4
55.01866	1.2
55.05513	4.7
57.03430	1.6
57.06870	0.3
57.07081	3.9
61.02915	1.2
65.03942	0.6
65.46830	0.3
67.05505	6.4
69.03432	6.2
69.07064	4.6
69.46365	2.8
71.04179	0.3
71.04993	1.1
71.08626	0.4
73.02922	0.5
73.06558	1.0
79.05495	3.8
81.03422	6.6
81.07062	6.2
83.01340	5.6
83.04974	2.6
83.08611	2.3
85.02909	6.4
85.06544	1.8
87.04482	1.0
91.03957	0.4
91.05492	2.8
93.07042	4.5
95.04966	2.4
95.08609	3.7
97.02898	4.7
97.06537	1.4
97.10180	1.3
98.21413	0.8
99.04453	1.3
99.60420	0.3
105.07038	1.9
107.04955	1.5
107.08604	2.4
109.02882	1.9
109.06507	1.2
109.10155	2.6
111.04451	0.9
111.08099	0.7
111.45960	0.4
113.06061	0.4
115.03911	0.5
117.07043	0.8
119.08593	1.2
121.06509	0.6
121.10174	2.5
123.08157	0.4
123.11724	1.3
125.05938	0.4
125.09615	0.9
127.03926	1.6
129.01834	2.6
129.05545	0.5
129.07024	0.7
131.08572	1.0
133.10144	1.1
135.04420	5.2
135.08026	0.4
135.11691	1.7
137.06009	0.5
145.06535	0.4
145.10103	0.5
147.11684	1.0
149.13255	1.3
151.07588	0.7
153.01862	1.0
153.05475	2.9
153.12730	0.4
157.10136	0.7
159.11703	0.6
161.05963	0.4
161.09634	0.6
163.03923	1.0
163.11197	1.1
167.07031	1.1
169.05063	0.4
173.04456	0.8
174.89299	0.4
175.11176	0.4
181.03371	0.7
181.04953	13.6
183.06610	0.4
184.07471	0.4
189.08998	0.3
193.12294	1.4
195.06535	11.8
196.18236	0.5
199.06017	21.5
207.06535	0.8
207.10147	0.4
209.08099	5.9
211.13318	1.5
221.08133	0.9
223.09645	6.8
223.11633	0.6
227.12776	0.7
229.14301	0.4
235.09703	1.5
235.13257	0.4
237.11215	5.7
243.11235	0.3
249.11177	3.8
251.12810	3.1
263.12869	1.3
265.14352	2.4
267.16083	0.5
269.17648	0.4
277.14410	0.9
279.15921	1.6
283.15369	0.4
291.15997	1.3
293.17484	1.3
305.17374	0.8
307.19077	1.4
319.19092	1.1
321.20627	0.6
361.23706	0.9
375.25320	6.3
377.26840	1.0
385.23782	0.8
389.27081	0.7
403.24747	2.6
459.31390	7.1
477.32135	100.0
478.32489	3.4
495.29495	0.4
621.32947	0.6
639.37585	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	639.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03001	1.4
51.02387	1.4
51.31435	1.5
51.66775	1.4
53.03947	12.9
55.01859	7.2
55.05512	24.2
56.42944	1.6
57.03448	13.0
57.07064	4.1
58.86471	1.5
59.04987	2.2
65.03944	4.0
67.05508	79.9
69.03072	2.0
69.03427	22.5
69.07070	17.3
70.10113	6.7
71.01357	2.9
71.04994	34.6
79.05056	2.9
79.05497	51.2
80.04400	1.4
81.03419	58.7
81.07059	100.0
83.04990	19.3
83.08635	14.9
85.02896	9.9
85.06557	7.5
91.05484	44.2
93.07053	49.7
95.04954	14.7
95.08617	24.4
97.02889	14.0
97.06554	11.8
97.10165	4.1
98.20969	3.7
99.04472	9.8
99.08098	2.6
101.02386	1.8
105.07036	23.5
107.04965	7.0
107.08598	34.8
109.02892	14.8
109.06537	5.2
109.10165	12.9
109.18944	1.6
111.04449	10.8
111.08096	7.3
115.05491	1.5
115.51365	1.8
117.07018	15.4
118.17725	1.7
119.08588	13.6
121.06484	4.2
121.10147	17.8
123.04458	3.3
123.08047	2.1
123.11723	9.7
125.09615	3.9
127.03910	8.0
128.11105	1.5
129.05481	3.3
129.07013	3.9
131.04990	1.6
131.08546	10.6
133.06493	2.8
133.10147	19.1
135.04405	2.2
135.08066	4.2
135.11693	10.6
137.09642	2.0
137.43130	1.7
141.06970	2.2
143.08537	2.3
145.06454	2.7
145.10114	5.6
147.08089	2.5
147.11705	10.0
149.09642	4.0
149.13275	26.2
151.11172	6.5
155.08546	3.0
157.10088	2.7
159.11685	16.5
160.02087	1.8
163.11177	5.7
165.12766	4.3
167.07129	2.1
169.10013	2.3
171.06490	2.6
171.11687	1.6
173.04483	15.0
173.09607	2.9
173.13240	2.8
175.11179	3.4
177.12747	9.2
181.12215	2.0
183.13824	5.2
187.13342	7.2
191.10759	2.2
193.12225	4.1
195.13809	15.3
201.14864	3.5
209.11763	3.0
211.13205	2.9
213.14851	3.6
227.12796	5.3
229.14333	3.0
233.15152	1.9
243.15910	1.8
253.18184	2.1
257.17520	2.7
261.14932	1.5
267.15967	3.6
269.17584	10.1
275.16449	2.8
275.19955	1.6
283.15567	2.8
283.19122	5.6
297.17047	2.0
303.16119	3.0
318.68787	1.7
321.16916	4.1
339.18005	9.1
377.19565	2.9
395.20563	5.0
413.21991	2.8
421.29681	3.0
423.27377	2.2
435.30716	2.0
437.28931	20.4
451.30496	7.1
453.31842	2.3
463.30582	7.3
477.28299	3.8
495.33136	4.4
607.34680	13.9
621.32837	3.8
639.36993	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	639.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65910	0.6
53.03941	4.2
53.79650	0.6
55.01875	3.6
55.05513	9.9
57.03433	3.4
57.07069	1.6
59.05000	1.3
64.03580	0.7
67.05177	0.8
67.05505	14.7
68.05826	1.0
69.03432	11.1
69.07059	6.9
69.54881	3.7
69.55298	1.6
71.01343	1.1
71.03807	0.8
71.04984	2.7
73.02911	1.3
79.05499	11.5
80.05808	1.0
81.03419	32.3
81.07056	14.5
82.03759	1.5
83.01340	4.5
83.04985	8.0
83.08616	7.2
85.02901	11.6
85.06541	5.4
87.04450	1.3
91.05476	9.4
93.07040	9.8
94.07400	1.2
95.04973	7.7
95.08607	8.5
97.02892	7.5
97.06536	2.4
97.10166	3.0
98.03222	0.8
98.20988	2.0
98.21534	0.7
99.04454	1.4
99.08084	1.8
100.41907	0.7
105.07028	9.1
106.07355	0.6
107.04950	4.3
107.08600	7.2
108.05270	0.6
109.02864	5.5
109.06502	3.2
109.10153	4.7
111.04438	5.1
111.08079	4.4
111.94102	0.7
115.03938	0.6
117.07019	2.2
118.07343	0.7
119.08566	6.2
120.08962	0.9
121.06516	2.3
121.10143	5.6
122.10468	0.7
123.08086	1.3
123.11697	2.5
125.09628	5.2
127.03915	4.1
129.01834	1.9
129.05528	0.9
129.07001	2.8
131.08578	3.8
133.06451	1.4
133.10117	3.5
135.04425	4.7
135.08066	1.1
135.11682	2.9
137.05981	6.1
137.09650	0.8
137.92545	0.7
139.07542	0.8
139.11243	0.7
142.46458	0.7
143.08556	0.9
145.10133	2.4
147.08073	1.5
147.11697	4.4
149.09641	2.1
149.13248	1.4
151.07549	3.5
151.11137	0.7
153.01811	1.2
153.05469	2.0
153.12753	0.8
155.07039	4.3
155.08438	0.9
157.10129	3.3
159.11766	0.9
161.09648	1.2
163.03992	1.2
163.11215	2.5
165.09140	1.7
165.12825	0.8
167.07034	1.5
173.04442	1.9
173.09676	1.2
175.11200	3.7
179.10686	2.4
181.04955	10.9
181.12227	1.7
187.91798	0.7
189.11099	0.7
189.12767	0.7
191.10721	2.1
193.12247	11.7
194.12698	1.2
195.06514	7.7
199.06024	13.4
205.12325	1.6
207.06625	1.0
207.13811	0.8
209.08195	3.2
211.13284	14.6
212.13748	1.1
221.08072	1.2
221.15428	0.7
223.09679	5.3
227.12799	2.0
229.14319	0.8
235.09650	1.8
237.11220	5.2
249.11256	3.6
251.12860	1.9
267.15936	4.2
268.16348	1.0
277.14404	1.1
283.15430	1.1
285.17050	3.0
291.15961	1.9
293.17575	1.7
301.14392	1.0
307.19040	1.3
317.24701	0.9
331.26443	1.7
337.16602	1.3
355.17545	2.0
359.25797	1.3
361.23770	2.6
375.25446	2.2
385.23746	1.7
403.24786	3.7
411.20038	1.2
415.31989	7.0
459.31100	100.0
460.31433	3.0
477.28024	3.6
480.55685	0.7
495.29584	3.2
518.35114	0.8
585.30157	0.8
621.32501	1.8
639.35535	16.5
640.36505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.2
55.01859	7.8
55.05516	20.3
57.03435	9.1
57.07056	2.6
65.03934	5.7
67.05506	81.2
69.03426	22.5
69.07074	22.7
69.23514	1.7
69.23808	18.7
71.01323	2.2
71.03828	1.5
71.04189	2.2
71.04996	38.6
79.05496	49.1
81.03422	54.3
81.07063	100.0
82.07309	2.0
83.04980	17.2
83.08617	15.4
85.02912	10.5
85.06548	8.2
91.05486	45.6
93.06463	3.0
93.07053	55.9
95.04981	11.2
95.08607	21.8
97.02886	15.2
97.06531	13.8
97.10162	4.8
98.21117	9.3
99.04477	9.0
99.08073	3.1
105.07037	24.7
107.04954	6.9
107.08599	30.5
109.02888	13.9
109.06493	6.4
109.10146	9.6
109.83288	1.6
110.55142	1.6
111.04455	9.0
111.08058	6.1
115.05502	2.6
117.07008	12.9
119.08559	9.6
121.06490	4.6
121.10159	17.9
123.04421	3.2
123.08035	1.7
123.11709	9.5
125.09641	4.4
127.03918	11.4
128.74086	1.7
129.05444	2.0
129.06987	4.6
131.04955	2.0
131.08568	15.9
133.06458	2.1
133.10136	21.3
135.08066	3.4
135.11707	11.3
137.06035	1.9
137.09560	1.9
143.08554	4.6
145.06506	3.1
145.10103	5.2
147.08031	2.7
147.11696	8.7
149.05890	2.2
149.09598	4.6
149.13257	22.0
151.11182	5.2
153.12680	1.8
155.08580	2.3
157.10143	2.0
159.11644	12.3
161.13219	3.8
163.11183	5.3
165.12703	2.7
169.10197	2.2
169.12178	2.0
171.06552	2.2
171.08038	2.0
171.11702	2.5
173.04462	13.9
173.09688	2.1
175.11221	6.2
177.12764	11.5
183.06560	2.4
183.13824	4.7
187.13284	7.5
191.10677	2.8
193.12297	4.7
195.13866	15.5
201.12904	1.7
201.14851	3.1
209.11797	4.5
211.13281	3.0
213.14804	3.6
227.12794	6.7
229.14398	3.4
231.13953	1.7
267.15887	4.0
269.17514	11.7
275.47998	1.7
283.15567	3.9
283.18948	3.4
285.17206	2.3
287.16577	2.3
303.15900	3.0
321.16800	2.2
339.18079	9.5
377.19443	2.8
395.20444	3.7
421.29294	2.5
423.27554	2.0
437.29031	21.8
451.30457	7.8
459.27487	3.3
463.30493	6.4
477.28583	4.9
495.32773	6.8
607.34943	11.7
621.33093	4.7
639.37134	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	4.1
53.03947	14.0
55.01870	23.2
55.05510	40.1
55.44114	2.0
57.03437	18.0
57.07081	12.5
65.03938	6.0
67.05506	92.2
69.03431	37.5
69.07073	23.4
69.52682	20.6
71.01379	4.8
71.04991	14.5
73.02912	4.6
79.05491	69.4
81.03418	100.0
81.06572	4.6
81.07058	89.6
82.04207	3.0
83.04980	27.2
83.08628	19.8
85.02909	20.1
85.06532	8.2
91.05484	65.1
91.73495	2.5
93.07050	68.7
95.04969	35.0
95.08605	29.8
97.02892	34.1
97.06544	15.6
97.10172	8.5
98.20902	7.8
99.04459	9.3
99.08099	5.0
101.02385	2.5
103.03884	2.2
105.07037	42.7
107.04955	17.9
107.08585	36.7
109.02894	19.4
109.06556	12.5
109.10152	20.1
111.04469	13.7
111.08080	8.9
113.05978	2.8
115.05508	3.0
117.07020	17.9
119.04952	2.9
119.08589	22.8
120.68652	2.5
121.06499	11.7
121.10141	22.3
123.04511	3.0
123.08078	5.6
123.11726	7.0
125.09637	7.9
127.03911	15.5
127.11169	4.0
128.06155	3.0
129.05481	4.3
129.07008	14.9
131.08575	25.7
133.06497	5.0
133.10132	28.0
135.08046	5.4
135.11694	12.3
137.05981	2.8
137.09676	3.4
139.11166	3.1
143.08548	4.8
145.06516	4.4
145.10120	10.5
147.08017	6.3
147.11688	18.0
149.09619	3.4
149.13284	16.3
151.11177	3.3
153.12791	4.9
157.10170	7.1
159.11647	13.7
163.11212	8.2
165.12764	8.0
171.06505	5.9
171.11603	2.7
173.04456	11.7
173.09653	2.8
175.11182	12.8
177.12781	9.4
178.62434	2.8
181.12216	4.1
189.11293	2.7
191.10701	4.8
193.12254	14.9
195.13766	11.5
205.08752	2.5
205.12334	3.0
209.08115	2.9
209.11667	3.7
211.13277	15.3
217.12157	3.0
225.66614	2.9
227.12769	7.2
229.14331	4.1
255.15952	3.2
267.15887	8.6
269.17477	9.6
283.15472	5.4
291.15997	3.6
297.16910	2.7
313.10873	2.9
333.15118	2.5
336.78198	3.4
339.17886	4.7
395.20831	8.1
423.27322	3.1
459.27255	3.6
461.27988	2.7
477.28439	10.4
621.32349	9.2
639.33667	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	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
54.90705	0.6
55.01877	5.6
55.05513	21.1
55.05782	1.1
57.03441	9.7
57.07081	0.7
59.04986	0.9
65.03939	2.3
67.05505	24.9
69.03066	1.1
69.03429	14.4
69.07066	8.9
70.17266	2.6
71.01346	1.3
71.04991	7.1
73.02912	1.1
77.03896	0.7
79.05492	26.8
81.03419	100.0
81.07054	31.1
82.03737	1.1
82.25847	0.7
83.04984	21.4
83.08620	21.9
85.02908	22.0
85.03430	1.1
85.06550	2.2
91.05479	30.2
93.07047	20.4
93.07625	1.2
95.04971	30.5
95.08609	11.4
97.02894	16.5
97.06535	5.4
97.10177	5.3
98.20824	0.8
98.21323	0.9
99.04451	5.0
99.08120	1.6
103.03996	1.0
103.05489	1.5
105.03399	0.8
105.04479	1.0
105.07027	21.9
107.04958	9.0
107.08598	11.4
109.02885	15.1
109.06537	5.6
109.10160	4.4
111.04444	13.5
111.08079	11.6
113.06010	2.0
115.05459	2.6
117.07027	4.4
119.04958	1.1
119.08582	19.7
121.06526	4.5
121.10139	11.1
123.04427	2.6
123.08080	2.1
123.11726	3.6
125.06012	0.9
125.09619	3.8
127.03913	8.8
128.06256	1.8
129.05479	2.6
129.07011	12.0
131.04941	2.0
131.08577	11.5
133.06448	4.0
133.10126	9.3
135.08054	2.6
135.11708	3.2
137.06026	1.3
137.09663	1.6
141.06937	0.8
142.07806	2.9
143.08563	1.4
144.77094	0.6
145.06535	1.4
145.10103	5.6
146.56963	0.6
147.04417	1.6
147.08061	3.9
147.11688	16.8
149.05991	1.2
149.09625	7.2
151.07544	1.4
151.11194	1.0
153.01862	1.2
153.09174	1.0
153.12758	3.3
155.08530	1.6
157.06450	0.7
157.10132	13.6
159.08035	1.2
159.11691	1.0
161.06024	0.9
161.09657	0.9
163.11139	4.8
165.12756	5.6
167.07132	1.4
169.10132	1.0
171.08072	0.8
171.11668	1.1
173.04443	1.8
173.05859	0.6
173.09651	1.5
175.11203	15.4
181.12227	3.7
183.06635	0.8
185.13251	1.0
187.11169	1.0
189.11261	1.9
189.12801	1.4
191.10678	3.2
193.12245	41.4
193.30719	0.7
199.11183	0.7
201.04172	0.6
205.12241	0.8
209.11719	1.5
211.13295	66.5
212.13629	1.8
227.12796	5.2
229.14384	2.4
235.13312	1.4
243.14032	0.8
247.13254	0.7
249.14912	2.2
255.13661	1.0
259.13287	1.5
267.15918	22.2
268.16226	0.8
271.16846	0.7
273.14951	2.7
283.15500	2.5
285.17010	12.7
289.14499	1.3
291.16135	0.9
301.14297	5.3
309.16962	1.5
313.16583	0.9
319.15549	2.0
337.16464	3.4
355.17648	7.7
367.22729	2.4
375.18149	1.3
385.23676	3.6
393.19122	2.9
403.25092	1.1
411.20129	5.1
429.21365	3.6
459.27258	10.0
477.28378	10.1
478.28506	0.8
493.27274	1.1
495.29572	12.8
511.28503	0.8
519.29266	1.8
530.16626	0.8
561.31061	1.0
573.31030	1.0
585.30560	2.0
603.31616	3.3
621.32813	10.7
639.33789	44.3
640.34332	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	15.4
55.01877	17.8
55.05512	34.9
57.03439	17.6
57.07081	11.8
65.03930	6.3
66.02728	1.8
67.05505	92.0
67.56980	2.1
69.03430	40.2
69.07073	22.7
70.83507	5.5
71.01343	3.2
71.05000	15.2
73.02907	3.9
75.30035	2.1
79.05054	3.9
79.05495	70.0
81.03420	100.0
81.07059	85.7
83.04988	29.0
83.08627	18.5
85.02914	23.6
85.06548	4.7
91.05486	60.1
93.07051	49.0
95.04976	29.5
95.08608	31.0
97.02358	2.7
97.02895	29.4
97.06530	16.6
97.10176	10.8
98.21014	2.4
99.04453	9.9
99.08133	2.8
101.02349	2.5
105.04525	2.3
105.07034	31.0
107.04960	16.8
107.08599	32.2
109.02889	19.1
109.06514	9.3
109.10155	20.5
111.04474	14.4
111.08095	10.8
113.06075	3.2
115.03929	3.9
115.05458	6.1
117.07001	17.4
119.08577	20.8
121.06465	12.8
121.10144	20.6
123.04458	6.5
123.08083	7.1
123.11697	6.8
125.09628	8.2
127.03926	11.8
127.11196	3.6
128.06229	3.2
129.05449	6.1
129.07002	10.8
131.08571	20.0
133.06451	5.0
133.10141	19.9
135.04453	5.5
135.08064	6.9
135.11696	13.7
137.09575	3.6
139.11087	4.7
143.03391	2.4
143.08638	2.7
145.05058	2.0
145.06447	5.1
145.10109	9.3
147.08069	3.4
147.11703	14.7
149.02330	2.2
149.09595	6.7
149.13249	16.5
151.11188	3.1
153.12698	2.5
157.10138	9.6
159.11612	9.8
161.05946	2.3
161.09563	2.1
163.11205	11.6
165.12740	6.7
171.06552	3.7
171.11555	2.4
171.27608	2.3
173.04503	12.9
173.09639	3.4
175.11171	7.0
177.12717	6.4
181.12215	3.0
189.11177	5.2
191.10684	3.3
193.12291	14.9
195.13831	15.0
199.05913	2.5
199.13290	3.5
201.12805	2.6
209.08076	3.6
209.11716	7.3
211.13226	10.6
227.12822	10.2
229.14357	7.7
236.88251	2.1
246.06729	2.1
249.14891	2.2
255.15895	2.3
261.14948	4.3
267.15933	8.6
269.17435	12.8
273.14636	2.9
283.15378	7.3
285.16971	3.2
297.17065	2.8
321.17191	2.6
339.17987	6.8
353.15674	3.0
395.20599	5.7
413.21756	2.5
423.27319	8.1
459.27023	3.5
477.28403	5.8
585.29480	2.6
621.32422	7.5
639.33929	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.9
79.05497	1.3
81.07031	0.9
91.05505	0.9
95.08618	1.0
98.20689	1.3
108.27905	0.7
121.10100	0.8
125.64810	0.8
160.71632	0.7
167.06990	0.8
221.10841	1.3
223.12317	0.8
233.10738	0.8
237.14038	1.0
310.13461	1.1
312.15030	1.1
324.15076	0.9
326.16385	0.7
338.16782	1.0
351.17459	1.2
361.14783	0.9
363.16391	1.2
364.18076	1.3
365.18683	1.1
366.19537	0.9
374.16467	1.3
375.16165	4.7
376.16940	3.3
377.05011	0.8
377.17654	9.1
378.19403	2.2
379.20303	2.0
380.21152	1.0
387.16547	0.9
388.17755	3.8
389.17804	8.4
390.18460	6.9
391.19196	26.7
392.20050	6.6
393.21457	2.1
402.18781	0.9
403.19556	8.1
404.19995	10.5
405.20755	33.3
406.21521	15.7
407.22501	1.5
416.20483	1.4
417.20908	3.1
418.21646	2.6
419.17755	1.0
419.22681	11.9
420.23236	19.8
421.23972	16.4
424.22635	2.5
430.17664	1.6
431.17990	1.4
431.23090	1.4
432.23703	1.2
433.24918	7.3
434.25299	8.1
435.17941	1.7
436.18924	0.9
438.20047	3.4
444.19427	1.4
445.20383	5.6
447.17786	2.8
447.22662	2.2
448.22647	15.2
449.23553	22.9
452.22098	28.2
459.21890	11.9
460.22720	16.1
461.19666	4.1
461.24173	1.8
462.20517	24.4
463.21481	4.5
464.22305	1.3
465.22974	12.2
473.19348	3.5
475.21182	20.2
476.21948	13.7
477.22928	45.9
478.23489	2.7
479.24252	2.2
487.21472	4.8
488.21899	2.7
489.22897	2.4
491.19824	1.0
491.25085	1.5
492.25311	13.5
493.21829	0.8
501.22913	1.4
502.23801	1.4
503.24579	12.9
504.25009	1.6
505.24115	0.9
507.28101	5.5
508.28357	2.0
518.23077	3.2
519.23779	1.4
521.21863	14.4
523.23468	1.3
528.12213	0.9
535.26807	9.5
536.24207	66.1
537.24933	6.5
547.23407	2.4
551.26721	3.6
552.27405	15.8
561.24927	7.0
562.25476	2.6
563.26709	5.2
579.25922	3.3
582.45050	0.8
593.27667	3.9
595.29474	1.9
607.25360	0.9
621.27100	7.6
622.27850	100.0
623.28094	4.8
639.30865	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	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.5
55.01862	4.8
55.05517	17.5
57.03433	11.4
61.02860	1.2
65.03929	2.3
67.05503	27.5
69.03428	13.6
69.07076	8.7
71.04987	8.7
71.05300	1.5
79.05499	26.7
81.03421	100.0
81.07063	29.0
83.04980	19.1
83.08620	17.1
85.02904	22.9
85.06557	2.1
91.05488	30.8
93.07043	22.2
95.04974	28.7
95.08610	11.5
95.18934	1.3
97.02904	14.5
97.06511	5.7
97.10172	7.2
98.00975	1.3
98.20947	8.5
99.04440	5.2
100.75851	1.6
105.07027	21.0
107.04966	8.9
107.08589	10.8
109.02877	15.2
109.06511	6.0
109.10146	5.8
111.04437	12.2
111.08104	9.9
113.05964	2.4
115.05492	2.2
117.07026	4.8
119.08568	19.0
121.06506	5.4
121.10125	9.4
123.04443	2.8
123.08127	2.5
123.11700	3.2
125.09607	3.2
127.03946	9.6
127.07516	1.4
129.05450	1.4
129.07005	14.6
131.04858	1.5
131.08578	12.3
133.06451	2.7
133.10135	9.5
135.08044	3.4
135.11671	2.7
137.09673	2.2
138.26590	1.4
142.07794	2.8
143.08481	2.2
145.10095	5.6
147.08051	4.4
147.11673	16.9
149.05994	2.5
149.09599	6.4
153.12717	3.8
157.10136	10.6
163.11165	6.9
165.12692	5.6
167.07079	2.4
167.10686	1.3
173.04486	2.3
173.09570	2.5
174.93205	1.4
175.11226	12.8
181.12254	3.9
189.11174	1.8
191.10616	3.4
193.12242	41.1
209.11610	1.8
211.13286	63.1
224.17384	1.5
227.12794	8.3
229.14275	2.1
249.14970	2.1
265.14288	1.9
267.15921	20.5
273.14722	2.6
277.14273	1.7
283.15503	1.9
285.16992	14.2
301.14328	5.6
303.15903	1.5
305.17062	1.5
319.15341	3.3
337.16406	2.8
355.17319	8.0
367.22482	2.1
375.18143	2.3
385.23691	4.7
393.18973	2.5
403.24835	2.1
411.20142	4.9
429.21487	3.1
459.27231	12.3
477.28201	12.7
495.29492	12.9
585.30414	2.9
603.31390	4.5
621.32605	11.0
623.22467	1.6
639.33685	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.81270	0.4
61.67329	0.4
66.67162	0.3
67.05500	0.6
71.49657	0.7
81.07046	0.7
93.07046	0.4
95.08608	0.6
97.71008	0.3
107.08580	0.4
109.10152	0.6
143.13811	0.4
171.55540	0.4
173.20229	0.4
209.10797	0.6
211.12459	0.7
221.10838	0.6
237.13849	0.4
247.12718	0.5
249.13908	0.5
258.93909	0.4
286.79376	0.4
287.14996	0.3
310.13333	0.5
338.16559	0.4
340.18320	0.5
368.91531	0.4
375.16370	0.7
376.16910	1.0
377.17444	2.8
378.18704	1.9
386.19131	0.5
388.17950	0.6
389.17899	1.7
390.18423	1.6
391.19193	6.4
392.20062	4.1
393.21036	1.7
403.19315	2.0
404.20074	2.8
405.20737	11.3
406.21454	5.9
407.16779	0.8
407.22324	14.4
408.22726	0.7
417.21213	1.0
418.21582	1.4
419.22507	5.2
420.23108	5.3
421.23868	19.9
422.17657	0.8
422.24667	3.7
424.22437	0.5
429.21173	0.5
431.18265	0.8
431.23306	0.6
433.24292	5.1
434.24731	2.2
435.18393	2.1
435.25198	1.8
436.18826	2.0
437.19739	0.9
445.20264	2.1
447.21494	1.4
447.26248	0.8
448.26352	1.2
449.19049	1.8
449.26917	1.4
450.20715	1.7
450.26923	0.6
451.21313	14.9
452.22043	3.7
458.17630	0.5
459.22220	0.9
460.22440	1.3
461.24066	2.3
463.21448	2.5
464.22012	1.1
465.22906	21.5
466.23685	2.5
467.37079	0.4
472.18619	0.5
473.19141	1.8
475.21136	1.5
475.25861	1.3
476.21472	0.5
477.23145	1.7
478.23715	1.5
479.24597	2.1
487.21219	2.5
488.21872	2.0
489.22751	0.6
491.19699	2.2
491.25864	0.6
492.20602	0.7
492.26053	0.7
493.26440	2.2
501.22858	2.3
502.23532	0.8
503.24475	16.6
504.25073	1.1
505.25879	0.4
507.27594	12.0
508.28275	2.9
519.23895	1.2
523.23315	4.4
533.25543	1.4
535.27087	17.6
536.27625	1.4
537.24976	9.7
538.25507	0.6
551.26691	6.9
552.27295	23.9
553.27997	0.7
561.24841	4.8
562.25702	1.2
579.26074	11.5
580.26599	3.7
593.27710	1.3
595.29193	7.4
607.25500	0.6
621.27100	20.9
622.26886	0.9
639.28125	100.0
640.28448	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	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56815	1.2
79.05489	1.4
80.40655	1.0
81.07077	1.6
91.05481	1.4
132.40173	0.9
135.01315	1.1
199.04906	1.0
203.14258	1.0
209.10701	1.4
280.12582	1.3
356.43311	1.1
375.16504	2.0
376.16983	2.6
377.17447	5.4
388.17566	1.4
389.18149	6.0
390.18326	5.2
391.19171	19.0
392.19876	4.8
393.21304	2.2
403.19391	4.9
404.20316	5.4
405.20734	23.6
406.21521	11.4
415.19104	1.0
417.20871	2.1
419.22672	7.4
420.23138	17.4
421.23950	10.8
424.22296	1.7
431.18225	1.7
433.23895	4.5
434.24982	7.6
438.20538	3.9
445.20132	4.9
447.21588	4.0
448.22723	15.5
449.23526	20.7
452.22098	23.1
459.22028	8.6
460.22729	13.4
461.18961	2.1
461.24197	1.8
462.20438	18.5
463.21072	2.9
465.22833	9.2
473.20209	2.4
475.21057	16.0
476.22122	11.1
477.22876	35.0
478.23721	2.4
487.21353	2.6
488.21661	1.6
489.23019	2.0
491.24557	1.3
492.25598	8.9
501.23077	2.1
503.24719	10.1
507.27438	4.2
518.23218	4.2
521.21857	15.4
535.26794	7.3
536.24213	57.0
537.24719	5.2
547.23206	2.5
551.26984	2.4
552.27374	12.0
561.25104	6.5
562.25208	2.5
563.26611	5.0
579.25665	3.3
593.27820	3.1
595.28668	1.3
607.24994	1.9
621.26917	6.4
622.27856	100.0
623.27954	4.2
639.28186	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.60016	0.4
53.03946	0.6
55.01873	1.3
55.05507	1.4
67.05505	3.8
69.03449	0.5
69.07074	2.3
71.56802	0.6
72.30461	0.3
77.15961	0.3
79.05482	2.8
81.03416	1.2
81.07054	3.7
83.04983	0.7
83.08632	0.5
85.02887	0.4
91.05493	3.3
93.07055	2.7
95.04974	0.9
95.08612	1.9
97.02914	0.4
97.06541	1.0
97.10181	0.5
99.96902	0.3
105.07034	3.0
107.04976	1.4
107.08607	1.5
109.02919	0.4
109.06522	0.5
109.10174	1.0
117.07052	1.1
119.07813	0.4
119.08547	2.0
121.10140	0.8
122.06090	0.4
129.07024	1.0
131.08583	1.6
133.06483	0.5
133.10146	1.6
135.11714	0.5
137.09700	0.4
140.07771	0.3
143.08646	0.5
145.10143	0.6
147.11710	0.7
149.09656	0.7
149.13380	0.4
151.11171	0.4
155.08475	0.6
159.08075	0.4
159.11703	1.0
161.09625	0.4
163.11285	0.9
169.10184	0.3
171.11681	0.3
173.13283	0.4
175.11205	0.5
179.14334	0.9
183.47362	0.3
204.06670	0.5
245.57709	0.4
249.10197	0.6
251.11932	0.5
257.19016	0.5
273.18533	1.2
275.20102	2.0
291.19571	2.6
311.14120	0.4
316.14365	0.4
328.14624	0.7
330.15955	0.4
347.22052	0.5
379.19473	0.5
391.15445	0.8
392.16095	0.5
393.16977	1.0
393.21286	0.5
398.15582	0.5
405.17294	0.8
406.17389	0.6
407.18558	2.2
408.19510	0.4
419.19339	1.6
420.15024	0.6
420.20047	0.8
421.20572	4.7
422.21255	2.2
423.21851	1.0
431.19360	0.4
432.19864	0.5
433.15848	0.7
433.20694	1.1
434.17523	1.2
435.18176	2.6
435.22864	0.9
436.23059	1.9
445.16443	0.8
446.17648	0.4
447.17639	0.6
447.22467	0.9
448.18500	2.5
449.19733	10.0
450.20410	2.4
451.21350	0.6
459.17914	0.8
461.19864	1.4
462.20642	0.6
463.21799	4.4
464.22202	4.9
465.22934	0.8
474.20813	0.9
475.21689	2.2
477.18967	6.5
478.19763	2.3
479.21167	0.9
491.20218	0.8
492.21536	1.5
493.22510	0.6
495.24338	0.6
505.22220	0.6
507.23825	1.6
508.22998	0.4
521.21887	0.9
523.23096	2.0
532.20575	0.4
533.22003	0.8
535.23615	2.9
536.24835	1.9
537.22217	1.2
547.23810	0.5
549.21613	0.6
550.25708	0.9
551.26611	2.6
561.25092	3.0
563.22577	0.4
564.23621	4.1
565.24384	3.0
579.26044	7.8
581.23663	0.9
593.26672	0.4
595.25696	2.4
596.26324	0.7
607.25519	0.7
610.27338	1.0
611.28546	0.4
621.27161	3.1
621.41614	0.6
624.25616	4.9
639.28107	100.0
639.42126	3.8
640.28345	4.2
665.72003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62564	2.3
53.03948	11.7
55.01877	5.3
55.05514	31.0
57.03436	10.6
57.07073	3.2
62.25425	2.1
65.03929	4.5
67.05505	76.3
69.03436	20.0
69.07076	21.5
71.04985	9.9
71.56620	2.9
71.57012	2.5
73.06551	2.3
75.16012	2.0
78.34730	2.0
79.05492	87.1
81.03422	44.2
81.07059	76.7
83.04494	2.3
83.04979	38.4
83.08625	15.3
85.02911	11.5
85.06535	4.5
91.05485	70.2
93.07042	82.5
95.04967	24.2
95.08608	36.0
97.02883	13.2
97.06535	8.7
97.10141	2.9
99.04473	5.2
103.05479	3.2
105.07035	37.6
107.04937	9.5
107.08598	29.1
109.02857	8.5
109.06523	8.8
109.10130	6.6
111.04433	6.2
111.08069	4.7
115.05461	2.4
117.07017	17.9
119.04903	3.4
119.08582	31.3
121.06485	4.9
121.10129	17.0
123.08034	5.4
123.11697	4.1
127.03878	8.4
129.05461	7.7
129.06999	17.2
131.04884	2.7
131.08571	15.6
133.06514	4.9
133.10147	16.5
135.08049	4.1
135.11707	6.2
141.07036	2.6
143.08597	12.4
145.06494	3.4
145.10130	11.3
147.04420	3.5
147.08060	5.0
147.11711	35.5
148.04834	2.7
149.13281	13.8
150.44060	2.2
155.08585	4.2
156.09314	2.2
157.10155	4.4
159.08038	3.8
159.11713	10.1
161.09607	4.6
161.13277	14.2
165.12784	4.4
169.10132	3.6
171.11705	27.7
173.13225	2.4
177.12808	6.4
181.10085	2.8
183.11678	3.2
189.12784	8.9
195.13857	8.7
207.13812	29.3
267.15906	3.3
269.17496	13.3
275.16406	2.3
281.17484	57.0
287.16299	2.9
313.03568	2.7
339.18124	4.9
354.61783	2.3
395.20523	3.6
413.21671	23.7
457.29578	3.8
468.54297	2.5
475.30579	100.0
476.30850	4.3
502.38593	2.8
508.55826	2.7
518.64545	2.6
619.34741	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
55.01873	4.2
55.05513	35.4
57.03436	15.1
59.83080	2.6
61.96643	2.7
62.96074	2.5
63.68597	2.3
65.03930	5.3
67.05503	71.5
69.03426	14.2
69.07074	20.1
69.88514	2.6
71.04987	10.1
71.10091	2.4
71.21642	2.5
71.57919	3.6
77.03945	2.5
79.05054	5.5
79.05495	85.2
81.03424	46.1
81.07061	82.2
83.04985	35.1
83.08620	14.9
85.02901	10.8
85.06540	6.5
89.32137	2.6
91.05486	72.7
93.06464	5.4
93.07047	86.3
95.04980	21.6
95.08617	32.8
97.02893	12.6
97.06548	7.4
99.04476	4.2
99.08082	3.7
105.04530	2.8
105.07034	48.1
107.04946	11.0
107.08605	27.2
109.02860	5.4
109.06517	11.0
109.10155	7.4
111.04440	6.5
111.08095	5.3
115.05478	2.7
117.07018	17.2
119.08591	24.8
121.06512	8.3
121.10150	10.5
123.08071	5.0
123.11720	3.4
127.03896	10.0
128.06227	5.3
129.05478	7.8
129.06966	15.7
131.08582	14.5
133.10126	12.4
135.08060	3.5
135.11714	7.7
142.07832	2.6
143.08582	12.4
145.06482	3.3
145.10167	11.9
147.08038	4.9
147.11707	32.4
149.13252	13.4
151.11267	3.7
157.10097	4.3
159.11719	8.3
161.09608	4.9
161.13269	9.0
169.10150	2.8
171.11659	24.4
175.87975	2.5
177.12814	5.0
189.12747	9.1
195.13814	10.2
207.13786	26.7
229.53201	2.6
267.15988	3.5
269.17514	10.0
281.17465	52.2
282.17706	3.1
327.06055	2.6
339.17911	4.3
413.21899	18.4
442.32770	3.9
475.30588	100.0
475.37378	6.0
533.84424	3.2
558.24359	3.6
619.34570	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	11.3
55.01859	7.4
55.05515	24.0
57.03439	18.1
57.07079	3.5
65.03948	4.8
67.05510	86.4
69.03433	28.6
69.07082	25.4
70.39656	2.1
71.04996	8.6
71.57558	2.5
71.58015	2.9
73.06563	2.6
79.05502	87.0
79.05962	5.1
81.03423	46.2
81.07062	100.0
83.05000	22.6
83.08616	17.0
85.02907	13.9
85.06531	4.6
91.05490	73.5
93.07053	88.5
95.04975	21.8
95.08612	34.0
97.02895	14.7
97.06548	12.4
97.10187	3.8
99.04449	4.2
99.08096	3.5
101.02394	2.3
103.05451	2.4
105.04543	3.7
105.06385	3.4
105.07043	39.7
107.04975	13.4
107.08603	37.9
109.02879	9.6
109.06533	8.7
109.10159	9.2
111.04453	5.7
111.08072	7.4
115.05431	3.8
117.07025	21.5
119.08582	27.9
121.06506	8.0
121.10169	23.3
121.18373	2.4
123.04588	2.3
123.08063	4.4
123.11767	2.7
125.09641	2.3
127.03909	8.4
128.06215	7.8
129.05505	3.8
129.06999	20.3
131.04929	5.1
131.08574	21.4
133.06483	5.4
133.10162	15.1
135.08060	5.5
135.11707	7.2
135.80573	2.3
137.05956	3.3
141.07005	5.6
141.12877	2.4
143.08557	14.4
145.06451	4.7
145.10138	16.2
147.08043	5.7
147.11696	26.3
149.13277	21.9
155.08591	5.3
157.06544	4.0
157.10133	4.4
159.08072	4.9
159.11699	13.1
161.05988	2.5
161.09648	4.9
161.13263	7.9
163.11176	2.8
167.08539	4.0
169.10103	4.7
171.08055	6.4
171.11696	17.7
173.04498	6.0
173.09576	2.3
173.13390	2.9
177.12802	8.1
181.10129	3.3
185.13210	3.8
187.11121	3.1
189.12787	8.6
195.13821	12.6
195.51651	2.3
196.57771	2.4
201.12825	2.9
203.14211	2.7
207.13850	25.6
211.13171	3.4
221.15413	3.3
223.14824	3.6
241.15967	3.5
251.14359	3.5
257.15192	3.3
259.16965	4.7
267.15970	5.3
269.15225	4.9
269.17569	32.9
275.16278	3.1
281.17523	27.5
287.16415	8.6
297.14325	2.2
305.17538	3.5
333.16913	3.8
339.18018	4.0
343.19269	3.9
351.18073	3.1
361.20352	2.9
413.21698	8.2
425.21527	4.5
475.30670	91.4
476.31122	2.8
488.43643	2.4
489.32068	4.6
555.32666	5.3
619.35010	19.3
637.33081	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	637.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.0
53.03944	16.4
55.01870	9.3
55.05513	33.6
57.03441	12.8
65.03938	6.9
67.05508	100.0
69.03442	23.0
69.07072	23.5
71.01346	3.8
71.04983	10.8
71.08611	2.6
71.56241	2.7
71.56635	3.8
73.02938	3.1
77.03932	3.2
79.05497	83.6
81.03419	65.2
81.07061	88.3
83.04991	31.8
83.08624	21.4
85.02915	18.2
85.06541	7.8
91.05486	72.3
91.05953	2.1
93.07050	81.5
95.04974	23.7
95.08616	40.7
97.02900	13.1
97.06535	13.7
97.10168	6.0
98.21149	2.8
99.04448	6.5
99.08091	4.9
103.05458	4.1
105.04526	3.2
105.06371	4.8
105.07038	57.1
107.04977	15.8
107.08596	41.2
109.02901	9.7
109.06506	8.9
109.10165	15.8
111.04455	9.6
111.08083	8.2
115.05479	3.0
117.07026	26.1
119.08575	27.6
121.06493	9.0
121.10156	25.2
123.04414	4.5
123.08056	7.6
123.11687	6.1
125.05965	3.4
125.09634	5.5
127.03941	12.8
127.62618	2.5
128.06245	5.8
129.05476	6.5
129.06992	21.0
131.03384	2.5
131.04915	2.9
131.08580	22.3
133.06479	9.5
133.10115	22.5
135.08025	5.0
135.11702	11.6
139.11198	3.0
141.06976	4.9
143.08553	13.2
145.06500	7.3
145.10136	12.3
147.04442	4.2
147.08089	6.8
147.11691	28.2
149.09561	2.5
149.13278	22.4
151.11160	7.2
153.12750	3.0
155.08607	3.9
157.06546	3.2
157.10089	5.9
159.08110	5.8
159.11710	14.8
161.09557	5.4
161.13264	10.8
163.11218	6.5
165.12798	4.0
167.07141	3.2
169.10089	3.1
171.08109	4.8
171.11650	17.3
173.04453	6.8
173.05893	3.5
173.09595	3.3
177.12756	6.2
181.10078	3.1
183.11824	2.4
187.11075	3.9
189.09120	3.3
189.12733	7.2
193.10124	2.5
193.12193	5.3
195.12112	2.3
195.13776	13.3
207.13791	18.2
211.13309	5.5
227.12784	7.5
241.15997	4.1
263.16537	3.3
267.16061	2.9
269.17551	25.2
273.15009	3.6
275.16464	3.7
281.17502	30.4
287.16333	12.5
305.17334	2.9
339.18027	5.5
383.22110	3.2
413.21606	11.7
425.22165	2.5
475.30875	71.2
489.31760	3.8
496.29504	3.1
555.32599	3.8
619.34766	22.9
637.32037	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.8
53.03942	10.2
55.01872	11.8
55.05509	23.0
57.03434	5.8
59.04977	2.0
59.13898	1.5
67.05505	25.1
69.03431	16.5
69.07060	6.8
69.49488	13.9
70.12161	1.9
71.01328	1.8
71.04990	5.5
73.02953	1.5
73.11715	1.7
79.05493	29.3
81.03417	100.0
81.07052	26.1
83.01360	2.9
83.04980	23.9
83.08622	18.8
85.02899	15.6
85.06552	2.3
91.05483	32.2
93.07046	29.5
95.04960	21.2
95.08603	13.4
97.02885	16.0
97.06533	5.6
97.10165	6.0
98.21357	6.0
99.04460	7.4
105.07017	20.8
107.04972	10.7
107.08599	19.2
109.02888	19.1
109.06512	7.3
109.10143	4.3
111.04430	17.4
111.08083	6.3
117.07016	8.4
119.04928	2.1
119.08579	17.5
121.06517	4.8
121.10114	13.0
123.04485	3.6
123.08064	6.6
123.11719	2.0
125.05973	2.0
125.09622	6.0
127.03898	9.4
129.07021	6.8
131.08540	9.4
133.06552	1.8
133.10155	8.2
135.04404	2.3
135.08072	3.0
135.11658	8.5
137.06006	1.9
137.09619	2.5
143.08504	2.1
145.06503	2.5
145.10114	10.9
146.79384	1.6
147.04408	2.9
147.08051	4.6
147.11705	9.5
149.09605	3.1
153.12769	7.7
157.10124	8.5
163.11180	22.8
165.12781	2.9
173.04526	3.3
173.09630	5.2
175.11197	7.0
181.12227	10.2
183.06667	1.6
189.11221	3.9
191.10693	7.2
193.12247	24.8
209.11803	5.7
211.11325	3.5
211.13293	43.0
211.15269	3.0
227.12737	19.4
234.57579	1.8
249.14873	2.3
267.16037	6.7
273.14862	2.1
277.14490	2.0
283.15445	11.5
285.17001	3.3
290.33304	1.7
300.37897	2.0
301.14313	3.2
305.41422	1.6
306.05325	1.6
311.16214	2.5
337.16495	2.8
353.15967	4.0
355.17673	6.4
383.22150	4.2
409.18893	3.0
411.20010	3.4
427.19849	3.3
457.25458	4.1
475.26770	13.6
493.28064	12.9
559.12964	1.8
593.33508	1.9
619.31384	6.1
637.32141	65.3
638.32825	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	637.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89833	4.4
52.54806	4.3
53.03939	12.6
55.01885	10.7
55.05513	45.2
57.03436	9.5
59.12284	4.4
65.03938	8.4
67.05505	88.7
69.03429	22.1
69.07063	22.1
69.25412	4.1
69.90400	8.2
69.90795	11.8
71.04993	11.8
77.03880	4.3
77.63108	4.3
79.05492	87.5
81.03419	89.8
81.07055	100.0
83.04979	41.6
83.08619	19.5
85.02915	14.4
91.05485	88.8
93.07051	91.7
95.04985	35.7
95.08607	48.8
97.02898	19.5
97.06532	18.7
97.10163	11.1
98.20921	8.9
98.21468	8.3
99.04485	4.5
103.15406	4.1
105.07027	61.1
107.04974	13.8
107.08603	34.7
109.02886	19.9
109.06527	8.1
109.10152	19.2
111.04437	11.1
111.08054	5.3
115.05493	7.8
117.07040	18.0
119.04937	9.4
119.08591	35.4
121.06477	8.6
121.10132	20.9
123.08102	6.9
125.09624	8.1
127.03901	17.2
129.06938	21.1
131.08571	27.7
133.06497	11.7
133.10121	23.6
135.08084	6.5
135.11694	15.6
137.05936	4.7
143.08569	12.0
145.06473	10.3
145.10129	24.0
147.04434	13.9
147.11684	36.2
148.04765	5.0
149.09590	8.0
149.13271	24.6
157.06432	6.5
157.10178	6.5
159.07976	4.6
159.11699	10.2
161.09659	7.9
161.13304	11.7
163.11209	9.3
165.12843	7.4
171.11697	21.1
173.04442	9.8
173.11781	4.5
173.13286	5.6
175.11150	6.0
177.12761	7.5
187.14828	4.7
189.12787	9.1
195.13855	10.6
205.19548	4.3
207.13724	26.2
209.11691	5.1
211.13200	9.8
213.16647	4.3
223.14917	5.0
227.12807	11.2
267.16006	7.2
269.17557	24.0
281.17532	40.2
287.16275	6.4
366.41550	4.1
378.04205	4.7
413.21451	11.4
425.21799	4.8
436.99258	4.3
475.30673	87.1
555.32629	5.0
619.35010	33.3
637.31458	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	637.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.0
55.01880	9.4
55.05513	31.1
55.96577	2.0
57.03448	9.4
57.07064	2.9
58.26314	1.4
59.04997	2.6
62.82634	1.6
65.03940	3.5
67.05505	38.5
69.03436	20.3
69.07071	13.4
69.70033	3.0
69.70450	7.4
71.01362	2.7
71.04990	10.4
79.05499	38.4
81.03419	100.0
81.07056	43.6
83.01328	5.1
83.04984	26.3
83.08614	18.8
85.02914	21.7
85.06529	4.7
91.05487	38.1
93.07047	37.3
95.04967	25.3
95.08610	22.0
97.02893	20.3
97.06524	7.2
97.10165	7.2
97.57054	1.6
98.20877	4.1
98.21465	3.4
99.04449	6.9
99.08077	2.5
103.05468	2.7
105.07038	25.7
107.04944	17.8
107.08606	24.9
109.02879	24.5
109.06546	9.2
109.10163	12.6
111.04446	19.0
111.08083	7.9
115.05471	4.3
117.06995	13.4
119.04938	3.2
119.08575	17.3
121.06484	7.7
121.10144	16.2
123.04445	5.0
123.08064	7.4
123.11685	3.3
125.02363	2.1
125.05927	3.0
125.09624	7.8
127.03932	15.5
129.05482	2.8
129.07011	10.4
131.04939	2.8
131.08553	16.2
133.06503	8.1
133.10107	10.3
135.04445	2.3
135.08054	4.5
135.11687	14.4
137.05959	3.3
137.09625	2.8
141.07018	1.7
142.07751	2.6
143.08582	4.3
145.06502	4.0
145.10114	14.8
147.04401	11.6
147.08049	6.5
147.11687	14.0
149.09618	6.4
149.13316	2.0
151.07535	2.7
153.01817	2.7
153.12781	10.8
155.08594	2.8
157.10129	7.3
159.08092	1.7
159.11714	4.0
161.05971	4.6
161.09590	4.9
163.11209	19.5
165.05478	2.0
165.09225	2.7
165.12721	4.2
167.07074	5.9
173.04523	3.8
173.05919	2.5
173.09564	5.3
175.11172	6.8
177.12732	2.4
181.04797	1.8
181.12244	7.3
185.13251	1.7
189.09262	1.6
189.11249	5.3
191.10649	9.7
193.12231	26.9
205.12244	2.1
207.10173	3.7
209.11732	8.2
211.13278	33.2
212.13626	2.4
222.77209	2.0
227.12749	20.1
229.14360	4.3
235.13368	3.9
247.13362	3.6
263.12708	2.9
265.14316	2.7
267.15863	8.1
273.14987	3.0
277.14264	2.3
283.15396	12.1
285.16855	4.8
301.14383	2.3
319.15674	1.9
329.10226	2.9
337.16315	4.1
353.15903	3.1
355.17654	4.1
383.21893	4.6
409.18491	2.6
411.20029	3.2
427.19562	2.0
440.27274	5.9
457.25897	7.9
475.26407	15.8
493.27957	13.9
516.32367	2.0
619.30579	8.5
637.32056	60.4
638.32324	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93040	1.3
53.03955	10.7
55.01881	12.3
55.05512	29.6
57.03440	10.8
59.05007	2.4
61.02935	1.6
61.14033	1.2
61.69413	1.3
65.03933	5.5
67.05506	49.9
69.03432	21.9
69.07075	8.5
69.46989	7.6
69.47417	4.2
71.01353	2.0
71.04999	10.2
73.02914	3.5
79.05048	2.7
79.05493	37.5
79.22334	1.5
81.03419	100.0
81.07055	33.1
81.19733	1.3
82.84315	1.4
83.01361	1.5
83.04982	23.6
83.08619	19.1
83.66089	1.2
85.02907	21.0
85.06546	3.0
91.05484	37.5
93.07047	25.5
95.01336	1.6
95.04972	30.9
95.08607	14.0
97.02886	22.1
97.06530	7.5
97.10162	12.1
98.21075	6.3
99.04450	6.4
99.08096	1.5
103.05484	1.8
105.07040	21.0
107.04976	13.8
107.08588	16.5
109.02885	20.8
109.06483	6.9
109.10162	21.5
109.55054	1.4
110.10474	2.9
111.04448	15.1
111.08085	6.3
115.05478	3.2
117.07020	10.8
119.04948	2.8
119.08581	15.5
121.02888	3.2
121.06527	8.1
121.10143	11.8
123.04424	4.7
123.08057	5.5
123.11701	1.9
125.05999	2.2
125.09633	8.6
127.03909	12.4
129.05510	2.1
129.07028	9.4
131.04935	3.4
131.08594	15.1
133.06497	4.1
133.10147	9.2
135.04449	5.1
135.08017	2.5
135.11723	8.3
137.05971	2.7
141.07051	1.9
143.08531	2.5
145.06458	3.8
145.10133	10.6
147.04424	2.2
147.08067	4.5
147.11699	8.1
149.06027	3.2
149.09636	9.0
153.12730	9.2
155.08591	3.0
157.10133	10.2
159.08046	2.2
159.11745	2.2
161.05995	2.2
161.09628	1.9
163.11212	15.1
165.12796	3.3
167.07031	2.8
169.10118	2.0
173.04507	7.6
173.05878	1.9
173.09608	2.7
173.11871	3.1
175.11134	7.9
181.12254	10.4
183.11734	1.7
185.09598	1.7
187.11230	1.9
189.11209	4.7
189.12746	1.7
191.10747	8.5
193.12245	24.9
199.11238	1.6
199.13121	1.5
205.12210	1.7
209.11659	9.4
211.13275	30.7
212.13712	2.2
219.13794	3.3
227.12706	14.2
229.14313	6.7
230.14696	3.2
231.13843	2.9
247.13332	5.8
249.15005	2.0
265.14410	4.5
267.15915	7.8
273.14746	2.3
283.15286	8.2
285.17084	5.3
289.14462	2.7
301.14215	2.4
335.14743	2.4
337.16458	3.1
351.18384	1.5
353.16049	2.9
355.17538	3.9
383.22311	2.9
401.23187	2.2
409.18488	3.8
411.20020	1.9
421.25793	4.6
439.27225	4.2
440.27222	12.7
447.27222	1.9
457.25894	4.0
475.26535	11.3
493.27615	7.0
619.31152	8.9
637.32159	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.9
70.65885	1.5
70.66253	1.4
72.84309	0.6
79.05490	0.8
81.96734	0.6
91.05520	1.2
95.08617	0.8
98.21350	0.9
118.95018	0.8
121.06310	0.7
165.58101	0.6
184.07487	0.9
209.86629	0.7
286.59778	0.8
293.22968	0.7
309.43039	0.6
391.19943	0.8
399.16193	2.0
400.16672	1.8
401.17780	2.2
402.18576	1.3
403.19391	0.9
413.17838	1.7
414.18698	3.2
415.19321	7.5
416.19980	2.4
417.21274	1.3
418.18753	0.9
428.20197	2.1
429.21359	6.8
430.22104	3.1
431.22397	1.1
435.21863	0.9
439.19070	1.0
441.16840	1.2
443.18637	3.2
443.23380	2.0
444.18689	4.3
445.20367	3.1
446.21347	0.7
448.18823	0.8
455.19107	1.1
457.20538	4.7
458.21201	3.2
461.19797	1.4
463.21432	1.2
471.22223	5.7
472.22998	4.3
473.24197	0.9
474.20236	1.2
475.21667	1.0
485.19885	1.6
486.20453	5.3
487.21341	4.0
488.22345	1.2
489.22794	2.1
490.20090	2.0
491.20911	2.4
499.21255	5.8
500.22275	1.8
501.22729	2.4
503.24713	4.4
516.21405	1.2
517.22131	3.2
527.20605	1.1
531.23975	12.2
545.21667	5.2
549.25616	1.4
559.23438	100.0
560.23499	3.4
562.21680	0.9
577.24445	10.5
605.23901	2.6
619.25458	13.6
637.26538	67.4
638.27081	1.9
647.41290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05504	0.6
57.96151	0.3
67.05501	0.9
69.07072	0.5
71.57880	0.3
74.18272	0.3
79.05480	0.9
81.07063	0.9
91.05475	0.5
93.07027	0.5
95.08605	0.6
105.07020	0.5
107.04958	0.4
109.10183	0.3
119.08617	0.4
133.10150	0.5
133.81696	0.4
139.03949	0.3
168.11137	0.3
174.47232	0.3
209.10661	0.4
214.36963	0.3
221.10837	0.4
234.11450	0.3
237.39473	0.3
250.21405	0.3
251.08322	0.5
260.98572	0.3
326.12863	0.4
375.16089	0.7
376.17627	0.3
387.16150	1.2
388.16953	0.8
389.17712	1.6
390.18518	0.8
401.17850	1.4
402.18616	1.3
403.19397	3.4
404.20197	0.5
405.20828	1.0
415.15005	0.7
415.19748	0.7
416.15500	0.4
416.20358	0.8
417.17065	1.8
417.20972	1.8
418.17374	0.5
419.22516	3.1
428.16870	0.5
429.16595	1.7
430.17609	0.9
430.22617	0.5
431.18234	3.3
432.19189	1.5
433.15964	0.6
433.21014	0.5
434.17435	0.4
435.17798	0.3
443.14023	0.5
443.19196	0.7
444.19583	0.7
445.20224	4.7
446.21301	2.4
447.22839	2.2
448.18811	0.4
449.20093	0.6
457.16647	0.8
459.21860	1.2
461.15170	1.6
462.16556	0.5
463.21796	3.6
475.17731	1.4
476.17838	1.5
477.18677	1.8
489.18680	2.7
490.19873	8.7
491.20694	11.9
503.20932	4.4
504.21240	1.0
505.26044	0.6
517.22504	2.1
518.23169	0.4
533.25531	6.8
535.20410	1.4
536.24115	0.6
545.21851	0.9
549.25708	1.9
559.22961	0.5
562.21936	0.7
577.24463	26.0
578.24420	0.7
593.27460	0.8
605.23669	1.5
609.27319	0.5
619.24542	0.5
637.26550	100.0
638.26971	3.4
642.95001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
67.05515	1.1
70.88489	3.1
86.77630	1.0
98.20872	1.0
119.33971	1.0
134.36687	1.1
161.67104	1.2
240.11723	1.2
248.32776	1.1
374.16592	1.2
391.19241	3.0
400.16589	1.2
401.17801	1.3
403.19751	1.3
405.20728	5.3
406.21542	4.9
413.17975	2.9
414.18500	3.4
415.19254	3.9
417.21356	1.9
420.23123	4.5
421.23819	10.1
427.18845	1.7
428.19705	2.3
429.16776	1.0
429.21017	12.9
430.21814	1.7
432.23752	1.3
433.24161	3.3
441.16611	1.3
443.22824	6.9
444.23242	4.0
445.20422	4.1
446.20908	1.4
447.17862	1.6
457.24042	3.3
458.24802	6.3
459.22000	7.0
460.22842	5.9
461.19263	8.1
471.21716	1.4
472.22775	7.7
473.24133	1.9
475.21527	3.7
476.21954	5.8
485.23441	13.8
486.20184	2.1
486.24384	1.9
488.22009	5.2
489.22736	1.3
491.24066	1.3
499.21155	1.9
500.22101	1.5
502.23904	2.3
503.24475	18.9
513.23151	2.0
514.23340	1.8
517.25928	4.8
529.26422	2.6
535.27130	23.3
535.35150	1.5
545.25513	74.4
546.25690	2.0
563.26385	6.7
573.25043	16.0
605.27594	71.1
606.27509	1.7
609.27521	1.6
637.30212	100.0
638.30847	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
57.07057	1.0
62.28259	1.0
65.49388	1.1
67.05504	3.6
67.36194	0.9
69.07064	1.7
79.05491	1.2
81.07074	2.6
93.07071	1.3
95.08611	2.3
109.10159	1.8
157.14314	0.9
209.18764	0.9
292.64288	1.0
344.15674	1.1
401.17575	1.4
403.19437	3.0
414.18549	1.8
415.19409	3.8
416.20154	1.5
417.21036	3.4
429.20926	6.7
430.21848	3.0
431.22778	2.3
432.23087	1.3
443.22501	3.0
444.23917	4.5
445.24176	2.8
456.20282	1.0
457.19757	1.3
458.25360	1.6
459.21582	3.4
459.26581	2.0
461.19525	2.2
462.20822	1.2
467.37521	2.0
472.22824	1.9
473.23901	2.2
475.21463	3.5
476.22177	5.8
477.23090	2.3
485.23361	1.8
486.24149	1.1
487.25012	10.7
489.23294	1.3
491.24417	25.6
491.31259	1.8
502.23462	1.1
503.24600	2.9
505.25955	3.5
518.23016	1.6
545.25507	10.7
546.26422	2.5
549.25000	5.2
564.27319	22.4
577.28174	8.1
605.27631	23.2
606.28558	1.1
637.30243	100.0
638.30823	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85041	0.6
67.05513	1.6
69.56802	3.7
76.15220	0.6
79.05518	0.5
81.07082	1.0
93.07052	0.6
105.07091	0.8
109.10162	0.7
110.05454	0.6
118.88817	0.6
121.10139	0.7
126.75009	0.6
166.84731	0.6
173.61293	0.6
214.53900	0.6
223.12280	0.7
303.43591	0.6
402.18311	1.4
403.19476	1.8
405.21075	0.7
415.19730	1.0
417.21255	1.7
419.22171	0.9
420.23141	1.3
430.18164	2.2
431.18848	2.4
432.23755	1.0
443.18805	1.7
444.19739	2.2
445.20044	9.6
446.21121	3.0
447.21878	1.9
458.20947	7.0
459.21875	7.2
460.22815	7.3
461.19382	4.5
462.20444	0.8
473.23737	0.8
475.21680	2.2
476.22113	1.6
477.23227	2.0
489.23019	0.8
491.24414	1.3
503.20493	1.0
517.22302	1.0
518.23358	4.5
519.23273	0.9
531.24030	1.6
533.25507	3.7
535.23615	1.6
545.25574	2.6
546.26642	1.8
549.25543	2.2
562.25793	1.1
573.25238	1.0
577.27216	3.8
592.26923	0.7
605.27570	13.7
606.28125	1.3
637.30237	100.0
638.30664	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	0.9
67.05511	1.3
79.05490	1.6
91.05477	0.8
95.08607	1.0
98.21127	4.7
105.07035	0.9
112.75410	0.7
119.08587	1.2
161.82101	0.8
237.72577	0.9
360.15005	0.8
376.16852	1.4
377.17801	2.6
378.18311	1.8
386.15594	1.1
387.15643	1.2
389.17786	1.1
390.18744	0.9
391.19446	4.7
392.19800	1.7
393.20923	3.9
399.16061	1.8
400.17050	2.9
401.17740	4.5
402.19220	1.1
403.19504	1.5
405.16281	0.9
405.20816	2.7
406.21640	1.7
407.22299	8.3
408.22885	0.7
413.17758	3.9
414.18500	4.7
415.19406	7.6
416.20126	0.9
417.20963	1.7
419.18460	1.8
419.23181	1.0
421.20313	6.4
425.17618	1.3
427.19507	1.4
428.20435	3.4
429.21341	8.2
430.21851	1.7
431.18765	2.4
432.19647	1.2
433.16110	1.4
435.21765	6.1
436.22501	2.3
439.19211	0.9
441.16824	1.6
442.17563	1.2
443.23447	5.0
444.18698	3.5
444.24359	1.3
445.20218	3.1
446.21643	1.2
447.18161	3.1
455.19168	1.3
456.19611	1.8
457.20612	4.7
458.21494	4.0
459.18243	2.3
461.19702	2.6
462.20367	1.6
463.21365	2.0
471.22586	6.2
472.23483	4.6
473.19684	5.2
474.20624	2.4
475.22336	1.3
484.18680	1.6
485.19913	4.5
486.20248	6.8
487.21716	3.7
488.22034	1.6
489.19000	2.8
489.23117	3.9
490.19540	4.7
491.20410	1.3
492.22104	1.0
499.21338	10.8
500.22705	1.4
501.23224	2.2
502.20163	1.6
503.20172	1.2
503.24588	2.6
511.20749	0.9
513.19214	6.4
514.20105	1.3
516.21698	1.8
517.22382	16.0
518.22534	1.2
519.20331	1.0
521.25659	1.9
527.20715	2.5
529.22192	2.2
531.24402	11.2
543.24005	0.9
545.21820	2.2
549.25049	8.3
559.23395	81.3
560.23932	1.8
573.21490	1.6
577.24548	3.9
578.25055	1.7
587.23004	14.5
591.26288	4.6
605.23877	9.1
609.27148	2.4
619.25494	74.5
620.25360	1.6
637.26526	100.0
638.26746	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83738	0.5
65.36995	0.5
69.56831	1.3
69.57247	2.2
81.07031	0.7
95.08548	0.6
98.20802	1.1
98.21439	1.1
116.44683	0.5
146.68190	0.5
172.42572	0.5
361.15588	0.7
374.16269	0.8
377.17654	0.8
378.18402	0.8
385.14389	0.6
386.15540	0.7
387.16202	1.4
388.17477	1.0
389.18030	0.6
390.18414	0.6
391.19000	0.8
392.19858	1.6
393.20770	2.8
398.16187	1.0
399.15991	2.1
400.16846	3.4
401.17593	5.4
402.18030	0.7
403.19684	0.6
405.21219	0.7
407.22354	3.3
413.17816	3.7
414.18515	5.4
415.19470	7.8
416.20041	1.5
417.16541	0.9
417.21323	1.1
418.18661	0.9
421.20413	2.7
425.17944	1.3
427.19183	2.4
428.20367	3.4
429.21222	8.1
430.22144	2.7
435.21854	1.9
436.23206	0.7
439.19281	0.8
441.16934	1.5
442.17590	2.6
443.18222	3.3
443.22565	4.6
444.18411	3.8
445.20532	2.4
447.17801	1.0
455.18600	0.9
456.19507	1.9
457.20724	5.0
458.21094	4.6
459.17566	0.7
462.20084	0.6
469.16382	0.8
471.22354	7.6
472.23386	4.2
473.19522	5.1
474.20337	0.8
475.21701	0.6
485.20041	3.4
486.20694	6.9
487.21140	3.1
488.22021	1.3
489.23434	1.2
490.19748	3.0
499.21329	10.6
500.21896	2.6
503.24887	4.0
513.18799	1.3
514.20093	1.4
516.21198	1.3
517.22491	4.1
527.20892	3.0
528.21820	1.0
531.24048	11.7
543.23840	1.3
544.21136	0.6
545.22247	0.8
549.25092	1.6
559.23425	98.1
560.23706	3.5
577.24646	0.7
587.22876	17.7
605.23840	1.2
619.25519	100.0
620.25696	4.5
637.26465	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	636.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15580	0.9
53.03942	2.1
55.01867	1.4
55.05515	14.4
57.03438	12.8
57.07074	1.5
59.04989	4.1
61.02933	5.5
65.03918	2.0
67.05506	78.1
69.03434	6.2
69.07058	5.9
69.54027	7.9
71.01337	1.0
71.04990	5.9
71.24149	0.9
73.02908	1.6
79.05499	15.8
81.03419	43.2
81.07056	25.8
83.04975	10.3
83.08624	18.0
85.02909	20.1
85.06520	3.4
86.09715	1.3
91.03960	1.8
91.04904	1.9
91.05475	24.5
93.07049	16.2
95.04974	20.4
95.08611	12.3
97.02875	5.4
97.06516	2.5
97.10145	3.3
98.20818	2.1
99.04443	2.0
105.07030	15.7
107.04928	5.1
107.08581	7.2
109.02872	2.0
109.06516	5.4
109.10157	61.1
111.04421	2.5
111.08076	9.8
113.06028	1.5
117.07012	3.6
119.08582	16.2
121.06509	2.6
121.10159	6.5
123.08050	3.5
123.11672	2.0
124.99981	1.2
125.09629	1.1
127.03913	1.8
128.06223	1.2
129.06984	6.3
131.08582	8.1
133.06491	3.4
133.10143	6.2
135.08142	1.2
135.11694	1.8
137.09602	4.1
142.07761	1.9
145.10159	2.6
147.08035	3.3
147.11703	10.5
149.09607	5.7
149.13298	1.1
151.11295	1.2
153.01845	2.2
153.12671	1.5
155.10628	2.4
157.10129	9.4
159.11681	1.3
161.09599	2.3
163.11150	2.7
165.12737	2.9
167.07050	1.2
173.11765	15.6
175.11179	11.5
181.04784	1.1
184.07349	3.6
193.12251	29.0
196.30727	1.3
203.61328	1.0
204.04918	1.0
207.17773	1.0
211.13292	39.2
227.12782	1.4
229.14351	57.0
251.13498	1.3
267.15927	13.1
275.30280	1.2
285.16980	30.5
342.03564	1.2
421.25806	13.2
439.26889	100.0
440.27240	1.7
556.33521	1.2
637.31757	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	635.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05501	2.3
57.07064	1.3
61.98928	0.8
65.03932	1.9
67.05503	5.2
68.98637	0.7
69.07059	4.5
69.47664	4.5
71.04999	0.8
79.05493	4.6
81.03432	1.6
81.07060	10.5
83.04965	3.4
83.08617	2.5
91.05478	21.1
93.07052	11.1
95.04962	1.9
95.08608	15.4
97.10188	1.2
98.20828	1.6
103.05441	0.8
105.07035	14.5
106.26643	0.8
107.08596	15.2
109.06506	1.5
109.10152	9.6
111.08089	1.5
114.81883	0.7
117.07001	2.1
119.04948	27.8
119.08578	21.1
121.10143	15.0
123.08038	1.7
123.11698	4.5
125.09631	2.4
129.07010	1.2
131.08568	7.5
133.10143	14.3
135.11691	5.0
137.09677	1.1
137.13316	0.7
143.08582	3.7
144.09360	1.1
145.10126	15.5
147.04413	100.0
147.11688	7.5
148.04805	1.0
149.13278	4.1
151.11172	1.9
153.09158	1.1
157.10167	3.5
159.11693	13.7
161.13264	6.7
163.14857	4.2
165.05440	1.2
169.10167	0.8
171.11658	3.3
172.12488	0.7
173.13269	7.7
175.14838	7.5
177.12755	0.8
177.16353	5.8
183.11661	1.3
185.13231	2.1
187.14812	13.0
189.16380	16.4
191.14352	4.2
191.17943	3.6
191.90750	0.7
193.15883	0.8
199.14839	4.5
200.35533	0.7
201.16383	20.4
203.17940	5.2
205.15985	3.6
207.17293	0.9
213.16400	11.1
215.14503	0.9
215.17958	7.4
217.15851	2.7
217.19528	3.2
219.17441	13.5
229.19452	1.9
231.17487	1.8
233.19003	2.1
235.16978	7.2
239.18010	0.9
241.19600	2.5
241.79851	0.8
243.21173	3.0
247.16878	4.5
255.21117	1.6
257.22614	0.9
261.18558	2.1
267.21100	3.2
269.22763	0.9
273.74057	0.7
281.22607	1.6
350.44330	0.7
389.31955	4.1
407.33057	21.0
408.34085	1.0
409.34647	3.2
423.32681	1.0
425.34167	1.4
435.32697	5.0
453.33658	19.7
516.92926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3942
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03953	0.6
55.05507	3.5
57.07078	0.7
61.02925	0.6
65.03947	2.5
67.05508	4.9
69.03423	1.3
69.07069	4.4
69.97044	2.0
79.05490	3.5
81.07056	12.2
83.04980	3.0
83.08629	3.2
85.02870	1.0
88.68745	0.5
91.05476	20.2
93.07046	11.8
95.04958	1.9
95.08607	19.2
97.06534	0.8
97.10181	1.5
98.21294	1.0
99.08122	1.0
105.07029	16.7
107.07867	1.0
107.08597	19.0
109.06524	2.6
109.10155	11.7
111.08087	2.3
117.07030	2.3
119.04948	27.4
119.08582	24.3
121.10140	14.2
123.08102	1.2
123.11687	3.8
125.09638	4.8
129.07008	1.1
130.07776	0.8
131.08585	7.9
133.10133	16.1
135.11693	6.6
137.09625	1.2
137.13234	0.9
142.07765	0.7
143.08514	2.8
144.09326	1.0
145.10126	17.0
147.04411	100.0
147.11682	9.4
148.04750	0.6
149.09645	1.6
149.13245	5.0
151.11214	1.2
153.09047	1.1
156.09283	0.6
157.10155	4.6
159.11702	14.4
161.09615	1.0
161.13255	10.0
163.11227	1.2
163.14824	5.9
163.50000	0.6
165.05486	7.2
169.10210	1.1
170.10883	0.6
171.11650	3.3
172.12460	0.6
173.11786	0.6
173.13258	9.7
175.14830	9.9
177.12845	1.2
177.16391	6.5
179.10640	0.6
183.11795	0.7
185.13222	2.4
186.14005	0.5
187.13142	1.0
187.14824	19.8
189.16388	20.7
191.14325	3.3
191.17952	4.0
193.15947	1.2
197.13277	1.5
199.14833	5.6
201.16377	24.1
203.17912	7.6
205.15898	4.5
207.17468	1.5
211.14825	0.9
213.16396	9.6
215.17949	12.1
217.15912	5.0
217.19528	2.6
219.17445	10.3
225.16420	1.2
227.17964	2.5
229.19579	0.9
231.17433	1.9
233.15459	0.6
233.18987	2.3
235.16924	7.2
239.17928	1.5
241.19559	2.3
243.21097	2.1
245.22614	0.7
247.16916	3.8
249.18478	0.8
253.19469	0.8
255.21193	1.8
257.22833	0.7
259.20584	0.7
261.18488	3.9
267.21014	2.5
269.22641	0.7
281.22769	1.5
293.22574	0.9
341.24768	0.6
349.28870	1.2
389.31912	4.2
395.29318	1.8
407.33090	21.4
409.34680	2.1
423.32275	1.3
425.33990	1.3
435.32550	6.7
453.33646	15.0
454.33698	0.7
624.55585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3943
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03960	1.5
53.94206	0.9
55.05511	4.7
57.03419	1.0
57.07067	1.4
59.05023	1.0
63.66374	0.9
65.03941	4.0
67.05508	11.5
69.03430	3.2
69.07063	5.8
71.58018	1.3
75.14618	0.9
79.05483	7.6
79.23354	1.0
81.03416	3.8
81.07059	17.6
83.04968	4.8
83.08619	2.9
84.54816	0.8
85.02912	1.3
91.05486	19.8
93.07043	15.2
95.04967	3.5
95.08606	21.2
97.02852	1.3
97.06547	1.8
97.10175	2.1
98.21022	1.1
105.07035	15.9
107.04951	6.2
107.08593	22.6
107.09286	1.7
109.02894	1.2
109.06515	3.0
109.10159	16.3
111.08084	3.4
116.06207	0.9
117.07043	4.0
119.04948	28.1
119.08580	26.4
121.06553	1.2
121.10143	15.8
123.04413	2.0
123.08102	2.7
123.11720	5.1
125.09645	5.2
129.06989	1.9
131.08557	9.0
133.10133	20.0
135.11696	9.4
137.09624	1.3
137.13261	1.5
139.07550	1.0
143.08559	5.0
145.10135	19.2
147.04411	100.0
147.11696	9.2
149.09615	1.5
149.13251	7.0
151.11221	2.6
151.66589	0.9
153.09111	2.0
155.08577	1.6
157.10147	4.6
159.11687	15.7
161.09637	1.3
161.13251	8.7
163.11194	2.2
163.14879	5.8
165.05472	7.8
169.10194	1.5
171.11662	5.4
173.09689	1.0
173.13260	8.5
175.14828	8.4
177.12627	1.3
177.16441	6.1
183.11694	1.2
185.13293	3.4
187.14821	26.0
187.16420	1.6
189.16388	17.1
191.14337	4.0
191.17952	7.4
193.12346	1.0
193.15796	1.2
199.14839	5.3
201.16379	22.8
202.16747	1.6
203.14278	1.2
203.17943	5.8
205.15852	5.6
211.15005	1.0
213.16338	9.6
215.17937	10.9
217.15907	5.3
217.19464	1.7
219.17430	11.5
227.17964	1.8
229.16075	1.6
231.17436	1.6
233.18987	2.1
235.16913	7.0
239.17984	1.2
241.19597	2.2
243.21089	1.3
247.16888	4.8
253.19562	1.2
255.21169	1.5
261.18549	4.7
267.21164	2.3
269.22586	1.4
275.19781	1.2
283.24130	1.5
293.22540	1.0
389.32086	5.6
393.31256	1.3
395.29599	1.2
407.33118	22.8
409.34988	1.2
413.22687	1.1
429.80051	1.1
435.32660	6.3
453.33606	16.2
498.20120	1.0
617.39001	1.8
635.37531	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	636.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01870	2.4
55.05305	1.0
55.05514	11.0
55.91343	0.8
56.22989	0.9
57.03442	11.1
59.04981	3.1
61.02912	4.1
63.94241	0.9
65.03925	2.1
67.05505	70.3
69.03415	4.1
69.07071	5.5
71.04997	6.3
71.58061	1.6
73.02907	1.6
79.05493	14.6
81.03419	41.5
81.07064	22.9
83.04981	10.2
83.08620	19.5
85.02414	1.4
85.02904	19.7
85.06535	3.2
91.03929	1.4
91.05481	22.3
93.07047	11.4
95.04971	16.0
95.08607	8.8
97.02903	5.8
97.06519	3.6
97.10141	2.9
99.04451	0.9
105.07019	11.1
107.04942	3.2
107.08591	6.6
109.02908	1.4
109.06506	3.1
109.10157	60.4
111.04424	2.0
111.08085	8.4
113.05992	2.2
115.05457	1.6
117.06927	0.9
119.04941	1.0
119.08580	15.5
121.06549	1.7
121.10153	6.4
123.08050	1.9
125.09660	1.4
127.03982	1.2
127.11136	1.3
129.07007	5.4
131.08580	6.8
133.06467	2.1
133.10144	4.6
135.11613	1.1
137.09605	4.6
145.10123	1.9
147.04381	1.6
147.08011	2.6
147.11710	8.3
149.09589	3.8
153.12727	1.9
155.10675	3.7
157.10144	8.0
163.11205	2.2
165.12738	1.3
173.09558	1.1
173.11743	17.0
175.11188	8.5
184.07390	1.3
191.10706	1.1
193.10422	1.1
193.12245	27.4
211.13303	39.7
223.15189	0.9
227.12901	1.3
229.14359	62.5
267.13263	1.7
267.15912	14.6
273.14990	1.1
285.16986	32.6
355.17636	1.1
391.83725	0.9
421.25873	16.4
439.26895	100.0
440.27106	2.7
474.42581	1.0
637.31750	2.6
653.05127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03942	14.4
53.24308	1.4
55.01873	10.3
55.05260	1.9
55.05511	27.7
57.03442	9.7
65.03934	5.9
67.05506	58.5
68.05827	1.5
69.03427	20.5
69.07070	16.6
71.05002	9.2
77.03944	2.6
78.37296	1.4
79.05493	65.3
81.03418	100.0
81.07056	57.4
83.04980	25.1
83.08617	18.1
85.02896	15.1
85.03271	1.4
85.06538	5.0
91.05484	65.8
93.07047	58.7
95.04965	37.6
95.05543	2.2
95.08611	31.8
97.02900	21.5
97.06546	6.3
97.10184	6.7
98.21122	11.3
99.04435	7.0
99.08090	2.4
103.05458	3.4
105.04533	2.8
105.07031	45.5
107.04982	12.6
107.08602	21.3
109.02878	18.0
109.06517	8.4
109.10149	11.7
111.04445	10.8
111.08096	10.1
113.05965	2.5
115.05481	4.2
117.07021	13.6
119.04926	2.0
119.08587	27.0
121.06538	6.8
121.10139	13.1
123.04451	3.2
123.08098	6.6
123.11746	2.4
125.09669	4.5
127.03931	11.9
128.06247	5.8
129.05550	1.6
129.07007	22.0
131.04944	3.1
131.08585	12.7
133.06546	5.9
133.10123	14.2
135.08043	3.0
135.11708	8.4
137.05989	2.0
137.09621	3.7
141.07025	4.1
143.08533	10.6
145.06474	3.4
145.10112	14.0
147.04433	3.3
147.08095	5.6
147.11702	31.3
149.05984	2.8
149.09654	6.3
149.13289	2.0
153.07162	2.0
153.12796	2.4
155.08562	2.9
157.10150	11.7
159.08112	3.7
159.11758	4.6
161.09674	6.1
161.13239	7.8
163.11200	10.4
165.09090	3.0
165.12787	6.0
167.07080	2.0
169.10149	4.2
169.69279	1.4
171.08075	3.4
171.11694	17.4
173.04504	5.3
173.06010	1.9
173.09628	3.4
173.11847	2.1
175.11240	8.0
177.12735	2.1
179.14301	1.5
181.05106	1.9
181.12311	4.5
183.11812	1.8
189.11331	2.2
189.12830	8.4
191.10728	5.1
193.12248	23.1
193.13844	2.1
207.13809	22.2
209.11795	2.4
211.13278	37.6
227.12830	6.9
229.14418	6.1
230.14821	3.0
235.13182	1.7
243.13910	1.8
257.15329	1.5
267.15997	8.8
272.81140	1.5
273.14978	2.2
281.17447	17.6
283.15604	4.2
284.15784	2.6
285.16959	2.3
287.16513	4.8
333.14349	4.1
337.16550	3.5
351.18243	2.8
355.17679	8.9
389.19638	1.7
411.20132	6.9
437.25906	1.9
438.25778	6.0
455.27594	1.9
473.28992	14.5
491.30383	11.4
507.29230	2.6
515.29901	1.8
553.31891	2.4
571.32867	1.9
581.31329	2.2
617.32843	7.4
635.34271	71.2
636.34247	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.1
52.63445	1.3
53.03945	12.7
55.01878	9.2
55.02098	1.5
55.05512	27.2
57.03442	8.9
65.03931	5.3
67.05505	62.2
68.93942	1.3
69.03435	18.1
69.07079	12.2
69.46767	11.2
69.92666	1.4
71.04988	9.6
73.06574	2.0
77.03928	2.2
79.05495	77.0
81.03419	100.0
81.07055	56.6
83.04980	29.4
83.08624	20.5
84.74879	1.4
85.02902	20.7
85.06549	2.8
91.05482	75.8
93.07046	63.2
95.04971	36.8
95.08607	27.0
97.02898	21.1
97.06531	7.4
97.10174	5.9
98.20969	4.8
99.04454	5.2
101.06024	1.6
103.05449	2.9
105.04549	2.5
105.07034	54.3
107.04964	13.7
107.08599	22.8
109.02873	16.7
109.06502	8.3
109.10157	7.7
109.10847	1.3
111.04443	15.3
111.08051	8.1
113.06044	2.1
115.05462	4.4
117.07008	19.0
119.04933	1.5
119.08580	38.3
121.06499	7.1
121.10143	12.4
123.04462	3.4
123.08089	7.9
123.11713	3.0
125.05989	1.6
125.09649	3.9
127.03912	10.7
127.07606	2.0
128.06213	7.3
129.05504	1.8
129.07008	25.7
131.04926	3.0
131.08562	12.8
133.06493	6.9
133.10130	17.2
135.04428	2.2
135.08069	3.6
135.11713	5.2
137.09679	1.7
141.07002	3.6
142.07813	2.7
143.08559	10.8
145.06483	5.9
145.10117	15.1
147.08095	7.0
147.11682	37.8
149.06023	1.7
149.09641	4.1
153.07059	2.0
153.12738	2.7
155.08601	2.1
157.06561	2.3
157.10139	10.1
159.08131	2.7
159.11681	3.0
161.06039	1.6
161.09621	4.0
161.13269	11.1
163.11209	6.2
165.09138	1.5
165.12753	3.5
166.07874	1.6
167.08601	3.0
169.10155	3.0
171.08136	2.3
171.11670	23.1
173.04506	4.6
173.09628	3.2
173.13252	1.6
175.11160	9.2
177.12640	1.5
181.10204	2.1
181.12262	3.9
185.09692	2.6
185.13248	2.4
187.11160	1.7
189.11330	3.1
189.12775	8.6
191.10681	3.9
191.14372	1.4
193.10522	1.3
193.12239	26.9
195.08165	1.6
207.13824	28.8
209.13464	1.8
211.11313	3.2
211.13289	40.1
211.15234	2.4
213.12762	1.8
225.14998	2.1
227.12701	7.8
249.14841	2.4
263.16559	1.7
267.15884	11.8
269.15421	3.3
273.14963	3.8
281.17456	18.9
283.15662	2.5
285.17023	3.8
287.16397	5.2
301.14270	1.8
319.15393	1.8
337.16586	2.9
355.17459	8.5
407.20749	2.3
411.20096	6.0
471.46774	1.6
473.28784	13.3
482.12726	1.7
491.30090	12.2
515.29993	1.5
517.70752	1.6
553.31458	1.8
571.32123	2.4
581.31110	2.1
617.32922	6.7
635.34247	74.6
636.35010	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	635.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.0
53.03949	16.0
55.01870	9.4
55.05513	30.7
57.03450	9.3
59.05002	2.9
65.03933	5.5
65.41547	1.7
67.05508	65.5
69.03131	2.0
69.03432	22.3
69.07077	12.9
69.56455	1.6
71.01350	2.0
71.04996	10.7
71.51491	1.7
71.56429	2.6
73.02904	2.1
77.03952	1.9
79.05499	66.7
81.03422	100.0
81.07065	53.4
83.01332	4.9
83.04979	27.6
83.08632	18.2
85.02905	15.5
85.06532	3.6
91.05486	63.7
93.07053	54.7
95.04977	33.2
95.08611	28.1
97.02900	24.8
97.06533	8.7
97.10156	7.6
99.04462	8.7
101.02363	2.8
103.05489	2.6
105.04498	3.0
105.07030	41.2
107.04390	1.7
107.04968	18.8
107.08599	25.6
109.02896	21.7
109.06542	10.5
109.10162	15.0
110.10471	1.8
111.04444	15.0
111.08083	7.3
115.05442	3.3
116.06194	1.7
117.07032	19.4
119.04976	2.2
119.08585	30.2
121.06535	10.0
121.10143	14.7
123.04443	3.3
123.08073	10.4
123.11715	3.2
125.05970	2.6
125.09617	7.9
127.03920	15.2
128.06232	4.1
129.07014	20.7
131.04944	3.0
131.08568	18.8
133.06488	6.8
133.10168	14.1
135.02748	1.6
135.08057	4.8
135.11685	12.3
137.05956	2.9
137.09592	2.7
141.06998	3.6
143.08554	8.9
145.06488	4.7
145.10106	19.0
147.04419	5.7
147.08032	6.9
147.11684	28.1
149.09602	5.4
153.12735	6.2
155.08560	4.4
157.10139	9.8
159.08023	3.4
159.11676	2.8
161.06042	2.4
161.09598	5.4
161.13330	8.4
163.11221	17.9
165.12746	4.7
167.07007	5.2
169.10196	2.4
171.07982	3.9
171.11685	18.1
173.04471	7.8
173.05815	2.2
173.09599	3.3
173.13252	2.2
175.11186	7.6
177.12839	2.2
181.12231	7.3
183.07970	2.4
183.11647	2.6
187.11134	2.1
189.09134	2.6
189.11217	3.1
189.12781	7.2
191.10667	8.6
193.12277	20.5
207.10078	2.1
207.13765	18.1
209.11774	7.0
211.13278	28.2
217.12120	2.7
225.14801	2.5
227.12753	12.1
229.14316	4.0
247.13332	2.2
259.13248	2.2
267.15936	11.9
269.15289	1.9
281.17557	12.4
283.15393	6.4
284.15820	3.5
285.17068	2.5
287.16397	3.4
337.16562	3.9
353.15958	4.8
355.17404	5.1
411.20056	7.9
438.25616	4.9
473.29279	11.7
491.29837	6.5
509.49338	1.7
543.05237	2.0
580.08496	2.1
617.32446	4.1
635.34137	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	635.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.6
53.03946	12.8
55.01872	17.2
55.05511	25.7
57.03436	9.3
59.04997	3.4
65.03931	3.1
67.05165	2.2
67.05505	30.3
69.03431	22.2
69.07067	8.5
69.79405	4.1
69.79810	3.4
71.01343	3.2
71.04999	12.8
73.02892	1.6
79.05495	38.2
79.32520	1.4
81.03421	100.0
81.07059	31.7
83.01336	9.0
83.04987	24.6
83.08618	13.4
85.02911	10.8
85.06522	2.2
89.50337	1.3
91.05486	32.0
93.07046	40.8
93.40047	1.4
93.75649	1.5
95.04971	15.8
95.08610	15.8
97.02901	21.9
97.06533	7.7
97.10157	5.2
98.20882	3.1
98.21438	1.6
99.04460	9.0
103.05462	2.3
105.07030	17.7
107.04959	14.6
107.08597	24.2
109.02206	2.3
109.02883	24.6
109.06531	8.5
109.10143	7.9
111.04451	12.8
111.08084	6.1
115.05456	1.3
117.07027	14.0
119.08594	17.2
121.06490	6.9
121.10155	12.8
123.04415	5.2
123.08071	11.2
123.11722	1.6
125.05972	3.7
125.09628	6.6
127.03915	17.8
129.06989	4.5
130.07777	1.8
131.04903	2.6
131.08586	9.5
133.06503	1.9
133.10139	6.0
135.04413	1.9
135.08063	3.9
135.11693	20.5
137.05978	1.9
137.09642	2.3
139.07471	1.9
143.08560	3.7
145.06468	2.3
145.10118	22.3
147.04407	4.6
147.08025	4.6
147.11658	3.2
149.09613	1.6
151.11093	1.9
153.01859	1.6
153.09158	2.0
153.12758	15.3
155.08601	2.5
157.10175	1.9
161.09642	2.3
163.11185	36.1
167.07088	1.8
171.08112	1.4
171.11623	2.0
173.04526	6.2
173.09586	6.4
175.11197	2.6
181.12230	13.1
189.09222	2.3
189.11191	4.3
191.10675	11.3
193.12379	1.6
205.12248	1.9
207.10056	1.6
207.13879	2.0
209.11716	17.3
211.13268	3.2
227.10602	0.9
227.12758	23.2
263.12903	2.0
265.14297	3.2
283.15298	7.1
289.14270	2.3
317.13940	2.0
353.15967	20.3
399.21658	2.1
409.18384	4.2
431.23801	1.4
449.25076	1.4
463.26620	2.2
473.24414	2.5
491.26373	4.6
561.26715	2.8
617.28918	3.2
635.30450	83.3
636.30688	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	635.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02371	0.7
53.03939	0.6
54.85868	0.4
55.01874	0.5
59.93355	0.3
60.70036	0.3
69.03423	1.9
74.40395	0.3
79.01851	5.3
81.03410	2.0
85.02882	0.5
91.05491	0.7
97.02902	2.4
103.05498	0.5
107.01312	1.1
109.02876	1.4
119.04943	0.7
125.02355	2.8
127.03924	3.2
128.60931	0.4
131.04935	0.8
139.03868	0.7
143.03400	7.1
147.04369	0.9
149.27551	0.3
153.01831	76.5
153.02879	3.7
154.40474	0.4
157.02879	1.3
163.03937	0.8
167.44943	0.3
171.02901	0.6
175.03903	1.9
177.05577	0.4
179.03455	0.5
185.02325	1.5
187.03909	4.6
191.03494	0.5
203.03358	2.6
207.02814	0.4
213.01872	3.5
215.03369	3.6
219.02948	0.8
229.01332	0.6
230.02109	0.6
231.02881	18.5
233.04509	0.7
237.03903	0.6
241.01353	3.1
247.02339	0.7
259.02386	28.5
260.02969	0.7
261.03906	0.9
275.01797	1.1
276.02676	0.9
277.03430	100.0
278.03790	1.7
285.00342	0.6
297.05994	1.0
303.01315	10.1
315.07010	1.4
321.02185	2.0
345.02368	1.0
393.40921	0.3
617.07703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41519	0.5
63.14418	0.5
69.56086	3.5
72.37424	0.5
72.39947	0.5
80.12639	0.4
83.02740	0.5
86.97021	0.5
98.21225	1.8
160.93919	0.5
209.10698	0.7
221.10820	0.8
223.12480	0.7
224.13097	0.8
225.10413	0.6
235.12152	0.7
237.13979	0.8
249.13971	0.6
389.17566	1.2
401.17999	0.7
402.18469	1.5
403.19217	2.2
404.20047	1.1
405.20822	1.4
416.15887	1.0
416.20605	0.8
417.16260	1.0
417.21494	3.8
418.21768	2.1
419.22574	1.3
429.21533	0.6
430.17880	2.1
431.18155	7.7
431.23608	0.8
432.19522	2.1
433.24283	3.4
444.19272	0.9
445.19989	6.8
446.20859	2.6
447.21814	1.7
458.21185	0.7
459.17255	1.2
459.22903	3.9
460.22736	4.5
461.23859	4.5
461.43042	0.5
472.22580	0.7
473.19589	1.6
474.24637	0.7
475.21423	1.5
477.22623	0.7
487.20657	0.7
487.25665	0.7
488.21881	3.2
489.23068	5.9
501.23090	1.4
515.24390	1.1
517.21710	0.6
518.23242	0.9
519.22784	0.6
531.23816	0.7
532.25201	0.9
533.24744	0.9
547.27582	7.8
575.26587	20.6
576.27234	0.8
607.28986	1.1
635.28625	100.0
636.28986	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	635.2863
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
57.11204	0.5
69.64539	2.2
69.91252	0.4
79.05489	0.5
93.07007	0.6
93.48490	0.4
95.08663	0.8
98.20708	0.5
98.21268	1.6
105.07027	0.6
109.10211	0.5
109.27713	0.4
186.03873	0.5
221.10832	0.7
263.12149	0.6
341.37814	0.5
387.16260	0.6
388.16641	0.7
389.17734	1.7
401.17981	1.3
402.18442	0.8
403.19202	4.4
404.20013	1.9
405.20871	1.9
414.18845	0.5
415.15585	1.8
415.20135	0.9
416.15759	1.0
416.20395	1.3
417.16757	2.3
417.21768	5.1
418.21838	2.1
419.22424	4.1
429.16437	2.1
430.17581	4.5
431.18027	8.6
431.23599	1.2
432.19437	2.2
432.23779	1.6
433.24225	6.2
434.24707	1.6
443.18762	1.8
444.19061	2.9
445.20102	15.1
446.20721	4.1
447.21832	5.3
457.20172	1.0
458.21432	2.2
459.21982	10.9
460.22626	13.5
461.23346	8.9
471.21896	0.7
472.22836	0.6
473.23331	2.0
474.24570	0.8
475.21677	0.6
476.21887	0.8
477.23065	1.0
487.25381	0.9
488.22275	1.0
489.22720	1.6
492.25476	0.5
503.24805	0.5
505.21463	2.7
517.22766	1.8
518.23456	1.3
519.23407	5.1
531.23627	3.2
532.24585	1.3
533.25513	1.1
546.26263	3.2
547.27081	22.2
548.27026	0.8
575.26447	1.8
577.24463	3.1
585.24982	0.5
591.26086	4.9
605.27930	1.4
606.28369	20.5
607.29150	32.5
608.29382	1.1
617.27441	0.6
635.28644	100.0
636.28949	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	634.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01862	1.6
55.05509	1.1
61.70828	0.9
65.03945	6.2
67.05501	1.4
70.39356	3.9
75.04465	1.1
79.05486	2.1
81.03432	1.2
81.07026	3.0
83.08645	1.1
85.02872	1.0
91.05479	4.3
93.03396	6.8
93.07068	2.4
95.04969	3.2
95.08623	1.5
97.06542	1.6
97.10237	0.9
98.20844	1.4
98.21375	1.2
103.05475	1.6
105.07034	3.4
106.04173	5.4
107.04967	2.8
107.08605	1.5
110.03669	6.7
110.37395	1.0
111.04437	7.9
116.99454	0.9
119.08620	1.0
120.48865	0.9
121.02866	7.6
121.05709	1.0
121.06471	5.5
121.10110	1.4
123.04439	1.4
125.06004	9.4
131.04947	2.1
137.05983	1.9
140.76709	1.0
147.08022	1.9
148.05214	1.3
149.02367	2.7
149.06006	11.2
151.07547	1.7
153.01855	4.0
153.05484	17.1
153.09096	3.8
161.06058	2.0
161.09642	1.8
162.06706	1.8
163.03937	2.5
163.07585	1.4
163.11226	1.2
165.06985	1.9
167.07069	2.8
167.08514	1.4
177.05519	8.0
181.06648	1.2
181.08594	8.7
182.07256	1.6
189.09081	1.5
195.08046	2.4
208.46461	1.1
209.06163	1.4
209.08090	40.5
211.07509	1.3
212.08301	1.6
218.07245	1.3
221.06030	1.3
221.09778	1.4
223.07433	1.4
225.09119	3.6
227.07054	1.8
237.09099	1.6
238.09798	1.7
239.06998	4.0
240.07802	7.1
241.08441	1.5
249.09039	2.0
251.07031	2.0
251.10625	1.2
252.07851	1.6
253.08604	13.1
253.12347	5.1
254.09308	2.5
255.06601	2.6
255.10001	2.6
257.08182	1.4
265.08582	1.1
266.09451	2.6
267.06558	1.2
267.10126	2.8
268.07373	1.8
269.08087	2.5
270.08862	1.7
277.73428	1.1
279.10272	2.0
281.08060	2.9
281.11710	4.7
282.08829	1.3
283.09579	4.3
283.12650	1.1
284.10291	1.8
285.11252	2.3
285.14587	1.2
295.09579	2.4
296.10541	1.1
297.11197	2.0
298.11993	1.9
299.09750	1.2
299.12766	6.3
309.11295	6.9
310.12033	2.8
313.10703	8.0
313.14383	4.8
327.12277	23.1
331.15366	3.3
341.13806	4.1
343.15521	1.2
359.14890	100.0
360.15338	2.3
361.16757	1.5
371.14951	4.6
409.63052	1.2
413.04755	1.1
519.01385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01871	0.9
55.05514	8.2
57.03218	1.0
57.03442	10.4
57.07073	2.4
57.83857	0.7
61.02930	1.7
65.03945	0.9
67.05506	32.9
69.03434	0.9
69.07073	9.7
71.01351	2.6
71.04988	3.0
71.57235	1.1
77.48011	0.9
79.05494	28.9
81.03426	4.9
81.07060	17.0
83.04983	8.5
83.08630	2.8
85.02905	2.2
85.06554	4.0
87.22858	0.8
91.05479	11.7
93.07047	34.6
95.04958	4.5
95.08610	7.4
97.02863	1.2
97.06522	7.3
97.10164	6.9
99.08100	1.6
102.65025	0.8
105.07027	3.9
107.04964	1.2
107.08595	23.3
109.06564	1.1
109.10159	6.6
111.08086	1.1
117.07027	3.8
119.04957	1.5
119.08607	6.0
121.06534	1.4
121.10131	6.2
125.06033	1.4
125.09644	2.2
126.43379	0.9
131.08615	1.1
133.10144	3.1
135.08128	1.2
135.11693	38.7
137.09634	1.0
143.08557	1.1
145.10107	7.5
147.04411	3.2
148.04762	1.8
153.12704	0.9
159.11740	1.0
161.14514	0.9
163.11200	6.1
171.11722	0.8
173.11758	1.0
180.14270	0.7
181.12239	8.8
199.13225	1.2
212.30826	0.9
229.14380	1.3
230.74739	0.9
255.15924	55.7
417.26065	1.0
435.27383	100.0
436.27682	2.9
484.88416	1.0
567.22034	1.0
651.25549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01856	0.6
55.05513	7.8
57.03193	0.8
57.03437	10.7
57.07066	0.7
61.02909	1.4
65.03933	1.1
67.05503	31.1
69.03417	1.1
69.07065	8.9
69.30235	3.7
69.30651	1.5
71.01343	3.4
71.04987	2.9
79.05489	27.7
81.03412	4.7
81.07057	16.3
83.04980	6.6
83.08611	2.8
85.02888	2.5
85.06541	3.3
91.05476	12.7
93.07040	34.4
95.04978	3.5
95.08601	6.0
97.02905	1.0
97.06538	8.3
97.10168	8.2
99.04448	0.9
99.08086	2.2
105.07032	4.6
107.04951	1.1
107.08596	25.4
109.06491	1.0
109.10151	5.7
111.08071	1.2
111.11760	0.6
115.05424	0.8
117.07008	4.4
119.04923	2.1
119.08574	5.9
121.06528	1.6
121.10149	6.2
122.10357	0.5
125.09618	1.7
131.08618	1.0
133.10135	3.6
135.08041	1.0
135.11690	44.0
137.09563	0.7
143.08611	0.8
145.10115	7.3
147.04425	4.9
147.11719	0.8
148.04739	0.9
153.12688	1.4
159.11725	0.9
163.11212	5.9
171.11633	0.7
181.12251	8.9
187.14832	1.0
199.13225	1.3
201.16473	0.7
215.66145	0.5
229.14406	1.4
255.15919	60.0
279.07025	0.6
281.17416	0.8
281.94241	0.6
315.23035	0.7
435.27399	100.0
436.27826	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	633.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15991	3.3
55.01865	5.0
60.71018	3.3
66.92406	3.7
68.99773	4.3
69.03412	4.1
70.58018	8.6
70.58355	4.0
81.03418	4.9
85.02903	8.9
95.01305	5.0
109.02849	9.0
118.06532	6.0
133.02832	3.9
133.81821	4.0
137.02385	4.5
144.08051	6.6
144.15512	3.4
145.65144	3.4
146.05984	24.9
153.01788	3.7
161.02319	4.6
163.03920	11.5
188.07088	39.3
191.03326	8.6
193.01149	4.5
193.08635	3.9
195.02876	15.3
201.01872	6.4
203.03348	7.5
205.09685	18.9
207.02757	5.7
211.03960	4.0
215.03430	4.6
219.02893	12.8
221.05957	6.3
231.02870	10.5
237.05495	6.5
241.04984	5.1
247.02271	18.5
247.07420	4.2
249.05397	6.1
253.04910	8.7
259.02356	15.0
263.03510	4.0
265.05051	9.4
275.01740	24.6
276.02676	32.5
277.03232	39.3
281.04404	14.5
283.05988	4.3
289.04941	4.7
291.03055	3.7
291.06375	7.2
293.04480	9.5
297.03970	12.2
301.04962	4.1
303.01389	13.4
303.06512	8.3
305.04337	6.4
307.02338	5.5
307.05942	7.7
309.03860	16.6
309.40048	3.6
311.05493	8.1
316.18765	3.8
317.04416	8.9
321.03784	10.6
325.03366	5.6
327.01230	5.0
327.04913	13.6
329.04584	6.2
331.06055	4.8
333.03940	13.4
335.05371	9.5
337.03342	17.1
339.04959	11.0
341.03476	4.6
345.03824	8.3
347.05463	8.9
349.03467	12.9
351.05096	8.9
353.03040	18.0
355.04413	8.2
357.03766	4.7
361.03561	15.1
363.01163	11.0
363.05118	10.8
365.02930	25.3
367.04468	11.2
373.03372	6.6
375.04837	9.7
377.02710	14.0
377.06937	6.0
379.00412	5.9
379.04556	16.3
381.02356	12.9
383.04102	18.7
387.05075	4.7
389.02673	13.9
391.04559	14.3
393.02267	10.0
395.04019	17.6
403.04462	11.7
405.02328	14.0
407.04108	6.0
409.01968	16.0
411.03412	11.1
415.04712	5.5
418.03845	5.3
419.03897	14.4
421.01303	8.5
423.03320	11.0
427.02496	6.9
431.04233	4.6
433.01794	6.8
435.03790	8.2
437.01294	73.8
439.02911	81.4
441.04172	4.2
443.04129	5.0
447.03629	18.3
451.03046	34.8
453.00208	9.6
453.05289	5.4
454.96658	6.5
455.02441	58.5
459.03491	9.6
460.38062	4.0
463.02805	14.0
467.02332	13.2
469.03998	100.0
470.04230	4.2
471.03476	5.8
475.03152	5.3
477.04437	7.9
481.03708	10.5
483.05383	8.1
487.02725	9.6
489.04483	16.9
491.02411	10.9
493.04041	39.5
494.04507	4.1
495.01920	47.6
499.02600	4.0
505.03961	47.2
507.05478	12.1
511.04913	5.7
517.04144	39.9
523.05127	46.5
535.04974	49.4
553.06036	15.6
571.06592	4.6
589.08228	5.3
597.04205	5.6
615.05804	7.1
633.07190	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	634.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
54.38398	1.0
54.93842	1.1
55.01865	2.1
55.05515	1.8
57.07090	1.2
65.03944	8.2
67.05503	4.0
69.03427	1.7
75.04494	1.8
78.42300	1.0
79.05486	3.3
81.03411	4.7
81.07053	3.6
81.76495	1.0
82.04203	1.2
85.02909	2.6
91.05493	4.7
93.03417	5.5
93.07034	3.3
95.01312	1.4
95.04959	2.5
95.08611	3.7
97.02902	1.5
97.06512	1.7
103.05431	1.9
105.07048	4.0
106.04187	7.3
107.04965	4.9
107.08604	1.7
108.08977	1.1
109.10149	1.6
110.03663	7.5
111.04445	8.5
119.08582	1.6
121.02908	5.5
121.06525	7.9
123.04452	1.6
123.08042	1.3
125.06003	9.8
131.04898	1.8
134.03656	1.7
135.07999	1.2
137.05983	5.2
145.06548	1.3
145.10124	1.1
147.04407	1.3
147.08064	1.4
149.02357	1.6
149.05984	14.7
151.03946	2.4
151.07532	1.8
153.01828	3.0
153.05464	16.6
153.09113	5.0
159.08047	1.6
161.05933	1.3
161.09663	1.6
163.03905	2.3
163.07564	2.0
163.11166	1.4
165.09027	1.3
167.07034	4.7
175.86029	1.3
177.05482	8.1
181.05043	1.9
181.08617	8.3
183.26686	1.2
184.30878	1.1
191.07063	1.9
193.12294	1.2
195.08141	2.1
209.08080	35.5
210.06796	2.6
211.07610	1.4
212.08289	2.0
223.07613	3.6
224.08369	1.4
225.09053	3.0
227.07062	1.9
227.10634	1.9
234.06854	1.5
237.09123	2.2
238.06317	3.2
238.10022	2.8
239.07114	2.6
240.07851	6.2
241.08569	1.4
251.07050	1.5
252.07928	2.0
253.08604	12.8
253.12253	5.4
254.09265	2.7
255.06558	1.8
255.10190	3.7
257.08072	1.6
266.09421	1.7
267.10123	2.6
268.07202	2.0
269.07965	2.0
270.08890	3.0
271.13370	1.3
278.08951	1.4
279.10208	1.3
281.08185	2.2
281.11688	5.1
282.09000	1.8
283.09665	6.2
284.10529	2.8
285.11319	2.8
285.14725	1.3
295.09753	3.3
298.12033	1.6
299.12796	5.3
303.15860	1.4
309.11078	5.5
310.11972	2.6
313.10709	8.9
313.14307	3.6
327.12286	23.9
328.12799	2.1
331.15372	4.4
341.13889	4.6
359.14886	100.0
360.15216	1.8
361.16562	2.0
371.14822	5.1
389.16199	1.4
493.27942	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	633.1082
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
51.02380	0.6
55.01878	0.4
57.03438	0.5
68.99789	1.1
69.03430	0.8
71.56651	0.3
79.01859	3.6
79.05473	0.4
81.03416	1.1
82.08360	0.3
83.44446	0.4
85.02924	1.7
87.31053	0.3
97.02916	1.6
99.04470	0.3
103.05452	0.5
107.01335	1.1
109.02881	1.2
111.00806	1.2
119.08527	0.3
123.04449	0.3
125.02355	2.9
127.03929	1.4
133.06511	0.6
137.02353	1.1
137.05989	1.1
143.03412	5.7
144.55313	0.3
145.04976	0.3
147.04402	0.5
151.07536	0.4
153.01834	100.0
153.02788	4.5
154.02191	1.0
161.05948	0.3
163.03966	0.6
165.01892	1.6
166.38300	0.3
171.02972	1.5
171.04219	0.3
179.03413	0.6
183.02798	0.4
189.05528	0.6
191.03368	0.7
195.02916	1.5
199.03812	0.3
203.03490	0.4
205.68411	0.3
207.02869	0.4
207.13824	0.5
217.04965	2.0
219.02957	0.4
227.03459	0.4
229.04994	0.4
231.02826	0.8
234.32182	0.3
245.04518	2.7
247.02342	0.5
255.03020	0.5
261.04007	0.5
263.05502	0.4
273.03931	2.6
283.02246	0.4
297.06158	0.9
299.01776	0.3
301.03461	0.9
315.07108	5.3
319.04492	55.1
320.04843	1.2
329.02853	0.4
337.02148	0.4
361.05292	0.4
377.02866	0.4
427.02826	0.4
453.00949	0.6
587.04236	1.1
615.04395	0.8
633.05884	0.5
635.87286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.202
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
51.02349	0.3
51.86884	0.3
52.25849	0.3
53.03948	2.4
55.01885	0.6
55.05514	2.3
55.49131	0.3
57.03436	2.6
57.07072	0.8
61.02938	0.4
61.26839	0.3
65.03939	0.8
67.05506	2.1
68.99799	0.8
69.03426	3.3
69.07072	1.1
71.04987	0.4
71.08581	0.6
71.08919	0.7
73.02943	0.5
75.04489	2.5
77.03902	0.4
79.05495	13.0
81.03427	1.7
81.07062	5.3
83.04968	0.7
85.02907	3.6
91.05482	9.2
93.03387	0.4
93.07047	50.7
95.04977	4.0
95.08598	2.9
97.02888	2.2
97.06541	0.7
99.04474	1.0
103.05466	0.8
105.04517	0.9
105.07031	6.2
107.04972	0.6
107.08600	10.5
109.02898	0.9
109.06508	2.8
109.10184	1.8
109.10818	0.4
111.00797	0.9
111.08079	2.1
113.02344	0.3
117.07037	0.7
119.08588	5.0
121.02890	1.3
121.06528	1.3
121.10147	52.9
121.72958	0.3
123.04475	0.6
123.08078	1.5
123.11707	1.1
125.05999	1.1
127.03936	1.1
131.08580	3.0
133.07570	0.5
133.10158	1.0
135.08089	0.4
135.11723	0.9
137.02347	3.8
137.05975	6.0
137.13268	0.6
139.11169	0.9
143.08556	0.4
145.05005	0.3
145.10201	1.0
147.04457	0.4
147.11682	0.9
147.77104	0.3
149.09615	8.5
149.10733	0.6
149.13287	0.7
151.03951	0.4
153.01828	5.3
157.10156	0.6
159.11682	0.4
161.09616	0.7
163.03926	1.0
163.11240	0.6
165.01849	2.1
165.09164	0.6
166.02654	0.3
167.07042	0.4
167.10640	1.7
173.06013	0.5
173.09654	0.5
175.11269	0.4
181.04898	0.8
183.02910	0.6
183.04338	0.4
183.11687	0.5
187.11182	0.5
189.16418	0.4
191.10646	0.6
201.05423	1.9
211.03729	0.4
229.04984	4.7
247.06035	0.8
257.04514	3.2
274.04834	0.7
275.05478	0.3
285.03781	1.6
293.13843	0.8
303.04999	100.0
304.05203	1.7
311.14893	5.9
315.05005	1.6
329.15903	1.9
345.06116	1.1
397.31128	0.7
411.06873	0.5
415.32159	2.0
433.33124	1.8
535.68262	0.4
563.85101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.3
55.01872	9.3
55.05511	44.2
57.03451	24.5
57.07068	6.5
61.02940	3.7
65.03956	5.9
67.05504	72.0
69.03443	25.7
69.07063	21.7
70.46702	7.2
70.47055	9.1
71.01369	6.5
71.04985	16.1
76.83160	3.5
79.05501	60.7
81.03421	100.0
81.07056	60.9
81.72725	3.4
83.04984	66.1
83.08597	19.6
83.48763	4.0
85.02906	21.3
85.06537	11.7
91.05480	52.6
93.07046	64.6
95.04977	33.9
95.08619	24.7
97.02888	15.2
97.06540	17.9
97.10167	14.1
99.04441	10.1
99.08105	5.2
105.07045	32.4
107.04971	10.4
107.08610	41.0
109.02886	14.5
109.06496	9.5
109.10178	27.0
111.04443	26.8
111.08089	11.2
115.05511	4.6
117.07036	10.3
119.08592	31.3
121.06496	11.0
121.10160	22.5
123.04414	5.3
123.08047	6.6
123.11707	6.3
125.06016	4.7
125.09637	11.8
127.03905	20.1
127.11240	4.1
129.05484	25.4
129.07018	11.7
131.08580	19.5
133.06508	6.6
133.10139	23.5
135.08095	5.5
135.11694	42.6
137.05974	4.5
137.09625	8.8
139.07535	7.9
140.42964	3.9
142.07881	3.9
143.08600	4.1
145.06477	3.9
145.10098	19.0
147.04433	5.0
147.08008	5.7
147.11678	18.8
149.09612	4.1
151.07518	4.3
151.11215	10.2
157.10144	17.0
161.09598	5.5
163.11229	11.5
165.05551	6.2
165.12752	4.1
167.07031	25.0
168.68884	4.4
173.06117	4.3
175.11226	9.1
181.12178	21.0
191.10840	7.1
193.12242	39.7
207.13718	4.3
211.13295	48.4
227.12755	9.4
229.14308	6.8
253.14252	5.2
255.15915	52.3
261.14969	5.5
267.15875	15.1
285.17068	12.4
307.15326	5.3
355.17645	5.9
399.20163	10.6
411.28912	8.0
417.15118	5.9
429.21127	6.8
429.30606	20.1
447.27362	28.0
463.27438	5.7
465.28104	50.3
591.32147	4.5
609.32306	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03953	1.7
55.01869	0.6
55.05511	2.2
56.20084	0.2
57.03439	2.2
57.07077	0.6
61.02936	0.3
65.03942	0.6
65.96767	0.2
65.98309	0.2
67.05507	2.2
68.99807	0.8
69.03065	0.3
69.03436	3.4
69.07066	1.0
71.01342	0.2
71.04998	0.6
71.57840	0.2
73.02939	0.5
75.04484	2.0
77.03921	0.5
79.05496	11.7
81.03416	2.1
81.06576	0.3
81.07057	5.6
83.04983	1.0
83.08619	0.5
85.02908	3.4
85.06546	0.5
87.04473	0.3
91.05485	10.3
93.03436	0.3
93.07047	49.2
94.07359	0.4
95.04971	3.8
95.08607	3.4
97.02884	1.9
97.06528	0.9
99.04454	0.8
103.05471	0.8
105.04539	0.6
105.07038	6.1
106.07865	0.5
107.04976	0.4
107.08603	8.8
109.02893	1.4
109.06512	2.5
109.10163	1.6
111.00816	0.9
111.04462	0.7
111.08086	2.2
111.11732	0.2
113.06007	0.2
115.05436	0.2
116.06245	0.4
116.22148	0.2
117.07043	0.7
119.08591	5.0
121.02846	0.9
121.06527	1.4
121.10146	53.9
122.10509	0.6
123.04456	0.7
123.08080	1.4
123.11706	1.4
125.05969	1.5
125.09615	0.3
127.03911	1.1
129.07008	0.9
131.08580	3.2
133.06586	0.5
133.07585	0.4
133.10138	1.5
135.04369	0.4
135.08069	0.4
135.11668	0.9
137.02342	3.6
137.05980	7.6
137.09654	0.3
137.13289	0.6
139.07552	0.4
139.11186	1.6
143.08578	0.3
145.04962	0.5
145.06464	0.4
145.10170	1.1
147.04417	0.5
147.08057	0.7
147.11700	0.6
149.02377	0.3
149.06029	0.3
149.09619	7.6
149.13222	0.6
151.03914	0.2
151.07561	0.6
151.11206	0.4
153.00690	0.4
153.01833	4.6
153.05440	0.3
155.04900	0.3
157.10089	0.5
159.08076	0.3
159.11729	0.6
161.06018	0.6
161.09641	0.7
161.13252	0.3
163.03951	0.8
163.07578	0.4
163.11182	0.8
165.01857	2.1
165.09114	0.4
166.02676	0.2
167.07053	0.7
167.10677	2.6
171.11684	0.4
173.05994	0.5
173.09714	0.5
173.13324	0.3
175.11124	0.3
177.05421	0.3
177.09195	0.3
177.12761	0.5
177.66273	0.2
179.10674	0.6
181.04996	0.8
183.02901	0.7
183.04369	0.3
187.03929	0.3
187.11201	0.4
189.09163	0.3
191.10704	0.8
193.12221	0.4
195.02896	0.2
197.13278	0.2
201.05464	2.1
201.12761	0.2
203.10744	0.2
205.05162	0.3
205.12369	0.3
207.10037	0.2
207.13847	0.2
213.05540	0.3
219.06570	0.5
228.04279	0.3
229.04991	4.9
243.94054	0.2
247.05980	0.8
247.13358	0.3
247.16986	0.2
257.04453	2.9
260.04877	0.2
261.18558	0.2
273.18646	0.3
274.04669	0.8
275.05411	0.3
285.03937	1.6
293.13797	0.7
303.04999	100.0
304.05307	1.5
311.14890	4.9
315.04996	1.5
329.15979	1.8
345.06125	1.3
349.27414	0.2
359.25833	0.4
377.26852	0.4
397.31192	1.0
411.07162	0.4
415.32239	1.7
433.33575	1.4
451.34241	0.6
599.24554	0.4
631.26770	0.3
631.35980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1347
Annotation	Myricetin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
51.02370	0.2
56.59586	0.3
57.74920	0.2
60.77982	0.2
65.03938	1.0
68.99792	0.3
69.03419	0.5
69.31696	0.4
69.32098	1.8
80.19381	0.2
81.03432	0.5
83.05016	0.2
85.02906	0.5
91.05486	10.0
93.07020	0.3
95.08629	0.3
98.20849	0.9
98.21537	0.3
99.04453	0.2
105.07022	0.8
107.05001	0.2
107.08599	0.3
109.02876	0.7
111.00801	0.8
113.02390	0.2
118.30151	0.3
119.04952	22.5
119.28989	0.2
121.02869	0.3
127.03933	0.5
131.08560	0.2
133.10234	0.3
137.02299	0.5
137.05984	0.6
147.04416	100.0
148.04762	1.0
153.01831	4.6
161.06026	0.3
161.09654	0.2
163.03902	0.5
165.01871	1.0
165.05463	0.6
167.07051	0.6
175.04057	0.2
178.04924	0.3
179.03403	0.5
183.02922	0.3
190.34425	0.3
195.02919	0.3
203.03401	0.3
205.04866	0.4
217.04970	1.0
217.08871	0.2
221.04398	0.4
235.11217	0.2
245.04488	1.4
263.05530	0.3
273.03912	1.8
290.04288	0.4
291.08691	0.5
303.13364	0.3
309.09741	4.3
319.04501	31.6
320.04846	0.4
361.05548	0.6
399.14294	0.4
627.23547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1556
Annotation	Gossypetin 7-glucosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
50.63683	1.0
53.03941	1.9
55.01882	2.4
57.03428	6.8
61.02925	3.6
68.99789	1.8
69.03429	14.8
69.40934	2.8
69.41357	7.2
71.04993	23.4
73.02906	1.1
75.04496	2.9
81.03422	4.2
83.04987	5.0
85.02906	59.4
87.04464	2.6
91.03980	1.4
97.02885	8.0
98.20866	2.5
98.21513	1.9
99.04475	1.3
105.79502	1.2
109.02867	4.9
111.00835	1.4
111.04460	3.5
125.02351	1.3
127.03920	4.8
129.05496	11.8
131.84720	1.3
135.04433	1.4
137.02364	3.7
139.03955	1.8
145.04973	2.5
147.06522	5.0
151.03995	1.7
153.01836	26.3
153.02930	1.0
161.02345	2.7
163.03958	3.1
165.01843	6.1
167.03423	1.7
179.03395	4.5
183.02859	1.9
195.02936	4.1
203.03395	1.7
207.02811	1.2
215.03415	1.2
217.04893	2.7
229.05009	1.7
241.04840	1.4
245.04494	3.5
255.06659	1.1
257.04568	1.6
258.05231	1.2
259.06140	1.8
269.04477	2.3
273.03900	4.5
285.03842	1.3
287.05377	3.3
291.04980	1.4
301.03342	2.4
303.04755	1.5
311.05255	1.2
315.04953	8.6
318.03705	3.9
319.04486	81.2
320.05054	2.2
329.06540	1.4
331.04462	42.9
332.05237	4.1
333.06033	1.4
343.04480	19.3
345.06079	2.3
357.06052	6.7
359.04095	2.0
361.05545	100.0
362.05933	2.0
369.06271	1.8
371.04520	1.5
373.05533	2.3
383.07642	2.7
385.05457	16.6
387.06744	1.5
411.07074	9.2
429.08221	26.6
447.09210	19.0
465.10324	43.9
466.10522	1.8
523.10547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37517	1.8
53.03940	6.3
55.01874	35.0
55.05512	29.4
57.03434	7.0
57.07082	4.0
57.58422	1.7
59.04998	2.8
65.03943	3.1
67.05507	67.4
69.03436	4.1
69.07072	83.1
71.04993	4.6
71.08620	1.8
74.78576	1.4
79.05500	51.2
81.00248	1.7
81.03424	7.4
81.07060	76.5
83.04987	12.4
83.08620	16.2
85.06512	3.9
91.05483	65.5
93.07052	54.3
95.01320	7.9
95.04962	12.4
95.08038	3.3
95.08611	44.2
97.06532	45.9
97.10181	6.7
98.20950	9.0
99.08102	5.0
100.62012	1.8
103.05451	3.0
105.07036	67.3
107.04961	14.9
107.08591	33.1
109.06532	4.9
109.10171	19.2
111.08083	4.4
115.05448	4.6
116.06273	2.4
116.34315	1.6
117.07033	28.9
119.04917	1.9
119.08585	53.5
121.06523	6.5
121.10143	17.3
123.04427	2.5
123.08083	7.5
123.11734	4.2
125.09641	6.1
128.06258	5.8
129.05566	1.7
129.07014	20.3
131.08575	44.4
133.09122	2.4
133.10132	45.6
135.08080	2.1
135.11708	17.0
137.09598	2.3
138.79782	1.7
139.11162	3.2
141.07004	6.1
141.11322	2.4
142.07832	4.3
143.08562	27.7
144.09360	2.1
145.06453	3.5
145.10135	44.1
147.08054	5.1
147.11684	31.1
149.09593	10.3
149.13268	8.3
151.11191	2.9
153.06989	2.4
154.07780	2.0
155.08551	18.3
157.10126	29.2
159.08052	2.1
159.11685	30.8
161.09637	3.1
161.13260	20.6
163.11211	6.5
163.14865	3.9
165.07021	2.9
167.08604	6.4
169.10132	21.2
170.11006	2.2
171.10243	5.5
171.11668	30.9
173.13263	18.8
175.11153	2.2
175.14819	11.8
177.12801	4.6
179.08589	3.9
179.14330	7.6
180.09441	1.7
181.10153	10.2
182.10789	1.8
183.11703	18.7
185.13246	19.5
187.11278	4.7
187.14810	10.8
193.10194	5.1
194.10861	1.9
195.11726	10.0
197.13280	13.9
199.11241	4.0
199.13271	2.6
199.14857	12.0
201.16475	4.5
203.66866	1.6
207.11789	3.8
209.13316	9.9
211.14882	7.8
213.16409	6.3
215.17999	3.8
217.15967	2.1
221.13293	5.0
223.14874	7.5
225.12715	1.9
225.16409	4.6
227.17999	2.4
229.19505	2.0
231.21074	2.1
233.13268	2.1
235.14919	2.2
237.16408	4.2
239.18013	6.0
241.19530	22.2
251.18054	2.1
257.19049	12.4
259.20566	25.4
265.19681	3.2
275.20096	47.3
277.21738	5.1
279.15897	1.8
283.20694	4.8
291.19623	2.1
293.21170	5.6
297.22351	2.5
299.23553	2.3
313.21790	4.6
315.23264	7.1
325.25354	3.0
331.22699	3.2
333.24252	28.0
337.25183	2.3
347.22693	2.0
349.23688	38.4
363.27127	2.2
365.28796	2.5
409.30872	1.8
417.31699	2.0
419.33319	3.9
435.32596	11.1
437.34302	18.8
447.21658	2.2
452.22318	2.2
453.34134	1.9
455.35477	3.0
463.32120	2.5
477.22894	3.4
481.33447	2.2
483.35059	2.4
493.36932	2.8
499.34009	2.1
501.35788	4.9
509.36230	4.1
511.37967	15.9
513.35864	7.9
515.38977	7.2
527.37433	6.9
529.39044	8.6
533.39978	11.3
551.41052	10.5
555.36713	5.8
556.37494	3.9
589.42255	4.1
597.44342	2.3
607.43597	72.3
608.26288	6.3
608.43951	3.8
625.30206	7.8
625.44647	100.0
626.45197	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	626.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.05507	2.9
57.03186	2.4
57.03441	33.3
61.02927	6.4
69.91229	9.7
75.30920	1.8
79.05461	3.3
81.03413	3.2
81.07036	4.0
83.05015	2.4
85.02898	7.3
91.05470	5.6
93.07023	4.7
95.27747	2.2
97.92302	1.9
97.92957	1.9
98.20835	4.5
98.21461	3.7
99.04461	20.3
103.03951	13.9
103.05435	4.1
105.07027	6.2
107.04959	10.9
107.08580	2.4
109.02870	8.5
109.10097	2.5
117.05499	100.0
121.06516	6.1
122.02765	2.7
123.04420	2.6
127.03923	16.1
128.06148	2.7
129.07004	4.7
131.04883	2.4
131.08473	2.5
133.06514	3.2
133.10072	2.0
135.08096	3.1
137.05980	6.4
145.06340	2.1
147.04364	5.7
147.08031	2.7
149.09566	2.2
151.03900	3.1
151.07523	7.7
153.01894	2.8
153.05458	4.0
157.06459	5.5
157.08598	4.8
161.06006	14.0
161.09598	7.6
163.07530	7.0
163.11211	2.5
165.05511	2.2
165.09113	3.9
166.06200	2.9
167.07080	21.9
174.06769	3.1
175.07483	5.0
177.05376	2.6
177.09052	4.8
181.05020	4.2
181.08604	25.0
183.06583	3.6
189.09114	24.3
195.08028	5.4
197.09520	3.1
201.07579	24.6
207.10114	5.5
219.08618	31.8
223.07617	2.6
225.09109	6.2
225.16124	2.5
227.06914	3.0
235.07401	2.2
240.07851	1.9
241.08611	2.1
251.07056	2.7
253.08690	5.4
255.10274	2.3
257.11667	4.3
265.08762	2.7
283.09705	5.9
283.13287	4.1
285.11435	9.2
297.11087	3.0
299.09256	2.1
311.12823	4.5
315.12219	7.9
316.13022	2.1
317.13751	3.9
322.84430	2.0
323.26227	2.3
343.15417	5.8
344.73376	2.2
346.14212	5.3
359.14850	8.4
360.15677	29.3
361.16486	69.9
367.15369	2.1
375.49762	2.1
403.17386	2.4
435.20166	62.6
459.19946	5.7
543.22125	9.3
561.23218	11.4
635.49994	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3959
Annotation	23-O-beta-D-Glucopyranosyl-25-methyldolichosterone
Peak:m/z	Relative Intensity
53.03949	4.1
55.01876	2.4
55.05515	9.1
57.03440	4.7
57.07073	2.1
61.02937	1.2
65.03950	1.2
65.90528	0.6
67.05508	18.7
69.03434	7.9
69.07070	13.3
71.04992	3.4
71.08636	1.0
71.57978	0.5
71.58407	0.7
73.02924	1.4
79.05500	11.5
80.05807	0.7
81.03422	12.2
81.07059	21.5
83.01347	6.3
83.04983	4.0
83.08635	6.4
85.02913	10.2
85.06555	2.4
85.10150	0.6
87.04492	1.0
91.05481	7.9
93.07046	12.7
95.04987	2.3
95.08608	6.9
97.02895	5.8
97.06526	3.1
97.10187	2.5
99.04476	2.1
99.08087	1.0
101.02392	0.7
105.07043	5.9
107.04983	2.5
107.08601	6.2
109.02900	3.5
109.06548	1.4
109.10168	3.4
111.04478	2.0
111.08099	1.7
115.03979	1.2
117.07049	2.1
119.08565	2.8
121.06554	1.2
121.10149	3.7
123.08090	0.7
123.11764	1.7
125.06034	1.0
125.09666	0.8
127.03933	4.4
129.01877	2.6
129.05525	1.4
129.06973	1.2
131.08591	2.9
133.10155	4.1
135.04434	6.9
135.11703	3.4
137.09593	0.7
139.11240	1.0
143.08575	1.0
145.04926	0.8
145.06619	0.6
145.10193	1.0
147.08078	1.0
147.11696	1.6
149.09653	1.1
149.13255	4.8
151.11261	0.8
153.05455	4.1
157.10164	1.3
159.11710	3.1
161.09631	0.7
161.13222	0.8
163.07619	0.6
163.11235	1.2
165.12817	0.7
167.07039	3.4
168.07394	0.7
171.06564	0.7
173.04498	2.7
177.12816	2.2
179.14459	0.7
181.04985	13.4
181.06517	0.9
183.06647	1.4
187.13416	1.3
191.10768	0.9
193.12305	1.3
195.06537	15.1
195.08168	1.1
195.13844	3.4
199.06026	27.1
201.10147	0.5
207.10181	0.6
209.08080	8.6
209.11650	0.6
211.13361	0.9
221.08232	0.6
222.07643	0.7
223.09641	6.4
223.11261	0.5
235.09882	0.8
237.11221	6.0
237.13020	0.5
243.15927	3.7
247.13562	0.6
249.11346	2.5
251.12796	4.6
253.18085	2.3
263.12842	1.1
265.14502	2.5
267.16019	0.8
269.17517	7.5
269.20126	0.7
279.16080	1.7
291.15720	0.8
293.17590	2.5
305.17542	0.9
307.19037	2.8
319.19333	0.9
321.20709	1.3
335.22375	0.7
339.18011	1.3
358.86832	0.7
363.25586	1.0
377.26968	1.0
413.21851	1.6
421.29712	2.2
437.29044	3.0
445.33450	10.0
463.34372	100.0
464.34454	2.7
481.31924	0.7
607.34808	2.5
625.40601	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	625.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
53.04855	0.5
55.01852	0.6
55.05503	0.8
67.05504	1.9
69.07076	0.6
71.18980	1.1
78.94534	0.5
79.05491	1.5
81.03430	0.7
81.07068	2.4
91.05472	1.8
93.07038	1.8
95.08583	1.1
97.06528	0.5
98.21132	0.6
105.07016	1.5
107.08572	1.1
109.10138	0.6
110.81484	0.5
119.08565	1.5
131.08554	1.2
133.10159	1.1
133.83788	0.5
145.10063	0.6
147.08072	0.5
150.31528	0.6
159.11717	0.6
172.89687	0.4
223.50960	0.4
231.20920	0.5
324.14981	0.6
333.19556	0.5
335.64554	0.5
351.16153	0.9
354.49792	0.5
378.14471	0.5
379.15564	1.8
391.15244	0.6
391.19604	0.7
393.17065	2.1
394.17432	0.8
403.19220	0.6
404.19962	0.6
405.16873	1.5
405.21423	0.8
406.21805	0.7
407.14505	0.9
407.22308	0.8
418.17935	1.8
419.18454	1.8
419.22974	1.0
420.23022	2.0
421.16324	1.4
422.17258	1.7
423.22125	0.9
432.19226	2.3
433.20010	5.2
434.20963	1.5
435.14481	1.6
435.22266	0.9
437.23734	0.9
445.20584	0.6
446.20886	1.0
447.22003	3.9
448.22543	1.9
449.15729	3.2
449.21152	2.5
450.16556	11.2
451.17334	2.0
451.25497	3.1
463.21008	3.4
464.21759	2.0
465.22919	3.2
477.22968	2.0
478.24161	7.3
479.20300	2.5
479.24295	7.6
491.24088	1.8
492.25162	0.6
505.26395	0.6
508.20953	0.7
510.26404	0.8
519.23688	0.6
521.25134	0.6
522.22266	0.7
523.22870	2.6
534.26385	0.9
536.20447	4.9
537.26050	1.5
547.23328	1.0
565.23932	38.9
566.25330	1.7
593.23743	1.0
594.28125	0.7
596.22461	1.0
608.26581	0.6
625.30316	100.0
626.31018	5.1
652.75525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05504	0.7
67.05506	2.0
69.07047	0.7
72.01310	0.3
79.05499	1.4
81.03431	0.3
81.07044	1.8
83.08618	0.4
91.05489	1.2
93.07042	1.7
95.08598	1.0
97.06532	0.4
97.10213	0.4
98.20712	1.0
98.21423	1.6
105.07053	0.9
107.08608	0.9
109.10133	0.5
112.24008	0.4
117.07032	0.4
119.08635	0.9
121.10138	0.4
123.04404	0.4
133.10146	0.4
135.08115	0.5
145.10127	0.6
147.11688	0.8
157.10146	0.5
163.11180	0.4
193.42267	0.4
213.60655	0.3
275.19937	0.4
363.16434	0.4
376.16556	0.6
377.17709	0.8
378.18484	0.6
379.18994	0.8
391.19370	1.9
392.20160	0.7
393.20871	2.1
403.19302	0.5
404.20181	0.5
405.16431	2.8
405.21591	0.7
406.17883	1.2
407.22501	5.0
408.23248	0.6
408.86206	0.4
417.21533	0.5
418.17957	1.0
419.17950	3.1
419.23297	0.8
420.19086	1.9
421.20099	2.9
433.19965	5.1
434.20981	3.8
435.21851	7.4
436.22858	0.5
445.20303	1.2
446.21274	0.5
447.22009	1.7
448.23239	0.4
449.19299	3.3
450.20270	0.5
451.25089	1.5
459.21857	0.4
460.22604	1.1
461.23367	1.1
463.21158	2.9
464.22180	1.6
465.22897	2.6
466.23541	0.6
472.73431	0.4
477.22565	2.4
478.23669	5.5
479.24713	4.4
491.24323	1.4
493.21985	0.5
493.26062	0.4
505.26401	0.8
506.27362	0.4
509.21359	0.5
519.23523	0.5
521.25629	8.7
523.22662	1.9
537.24579	1.8
546.75537	0.4
547.27051	1.6
549.25214	0.7
553.26837	0.4
565.28119	20.2
566.28735	1.1
581.27563	2.0
593.27466	0.7
607.28961	1.0
625.30194	100.0
626.30585	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01876	2.4
55.05515	9.1
57.03440	4.7
57.07073	2.1
61.02937	1.2
65.03950	1.2
65.90528	0.6
67.05508	18.7
69.03434	7.9
69.07070	13.3
71.04992	3.4
71.08636	1.0
71.57978	0.5
71.58407	0.7
73.02924	1.4
79.05500	11.5
80.05807	0.7
81.03422	12.2
81.07059	21.5
83.01347	6.3
83.04983	4.0
83.08635	6.4
85.02913	10.2
85.06555	2.4
85.10150	0.6
87.04492	1.0
91.05481	7.9
93.07046	12.7
95.04987	2.3
95.08608	6.9
97.02895	5.8
97.06526	3.1
97.10187	2.5
99.04476	2.1
99.08087	1.0
101.02392	0.7
105.07043	5.9
107.04983	2.5
107.08601	6.2
109.02900	3.5
109.06548	1.4
109.10168	3.4
111.04478	2.0
111.08099	1.7
115.03979	1.2
117.07049	2.1
119.08565	2.8
121.06554	1.2
121.10149	3.7
123.08090	0.7
123.11764	1.7
125.06034	1.0
125.09666	0.8
127.03933	4.4
129.01877	2.6
129.05525	1.4
129.06973	1.2
131.08591	2.9
133.10155	4.1
135.04434	6.9
135.11703	3.4
137.09593	0.7
139.11240	1.0
143.08575	1.0
145.04926	0.8
145.06619	0.6
145.10193	1.0
147.08078	1.0
147.11696	1.6
149.09653	1.1
149.13255	4.8
151.11261	0.8
153.05455	4.1
157.10164	1.3
159.11710	3.1
161.09631	0.7
161.13222	0.8
163.07619	0.6
163.11235	1.2
165.12817	0.7
167.07039	3.4
168.07394	0.7
171.06564	0.7
173.04498	2.7
177.12816	2.2
179.14459	0.7
181.04985	13.4
181.06517	0.9
183.06647	1.4
187.13416	1.3
191.10768	0.9
193.12305	1.3
195.06537	15.1
195.08168	1.1
195.13844	3.4
199.06026	27.1
201.10147	0.5
207.10181	0.6
209.08080	8.6
209.11650	0.6
211.13361	0.9
221.08232	0.6
222.07643	0.7
223.09641	6.4
223.11261	0.5
235.09882	0.8
237.11221	6.0
237.13020	0.5
243.15927	3.7
247.13562	0.6
249.11346	2.5
251.12796	4.6
253.18085	2.3
263.12842	1.1
265.14502	2.5
267.16019	0.8
269.17517	7.5
269.20126	0.7
279.16080	1.7
291.15720	0.8
293.17590	2.5
305.17542	0.9
307.19037	2.8
319.19333	0.9
321.20709	1.3
335.22375	0.7
339.18011	1.3
358.86832	0.7
363.25586	1.0
377.26968	1.0
413.21851	1.6
421.29712	2.2
437.29044	3.0
445.33450	10.0
463.34372	100.0
464.34454	2.7
481.31924	0.7
607.34808	2.5
625.40601	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.1
55.01875	4.6
55.05509	28.9
57.03434	11.7
57.07091	2.5
61.02917	3.0
65.03941	5.8
67.05506	64.5
68.53149	2.9
69.03430	17.1
69.07072	19.1
70.51904	8.0
71.04992	9.8
79.05498	49.0
81.03424	100.0
81.07058	78.1
83.04989	25.8
83.08621	27.2
85.02891	18.5
91.05481	49.9
93.07050	45.1
95.04978	33.0
95.08598	24.1
97.02883	17.2
97.06551	7.4
97.10175	7.8
98.20962	3.3
99.04465	6.5
105.07040	31.3
107.04963	13.5
107.08598	26.9
109.02882	18.4
109.06544	7.8
109.10178	7.8
111.04436	21.4
111.08073	14.1
115.05500	3.3
117.07032	14.5
119.08587	18.5
121.06516	6.4
121.10137	17.7
123.04391	4.7
123.08098	3.8
123.11670	4.1
125.09648	6.9
127.03932	9.9
128.53293	2.5
129.07002	13.3
131.08578	15.6
133.06480	6.5
133.10106	18.0
135.11685	11.1
141.07028	3.3
143.08598	3.6
145.06465	7.2
145.10123	7.3
147.08069	4.3
147.11661	16.1
149.06035	4.0
149.09663	4.5
149.13280	13.4
153.12791	4.6
155.08510	3.8
157.10147	11.0
159.11722	9.4
163.11200	4.0
165.12779	6.0
167.07072	3.6
171.08029	3.4
173.09753	3.5
175.11206	9.4
177.12785	5.1
183.11679	3.1
187.11403	2.7
189.11246	2.7
189.12767	2.9
193.12254	35.3
195.13873	7.5
199.59604	2.7
211.13301	51.7
213.14796	4.5
227.12808	7.3
261.14920	2.8
267.15942	10.7
269.17450	13.3
273.14923	4.2
277.14383	3.0
283.15085	3.0
285.16980	5.4
301.14392	3.6
339.18164	8.1
355.17429	5.9
369.24063	4.9
377.19614	2.9
395.20651	7.0
435.27527	3.6
443.27963	7.6
461.29047	31.3
479.29788	13.5
503.29776	3.6
578.19928	3.4
587.31781	7.8
605.32910	8.1
623.34277	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.3
61.02921	4.7
69.03419	3.1
70.35390	1.2
71.49437	1.4
81.03420	3.9
84.04508	81.9
87.93451	1.2
88.16882	1.2
90.89383	1.0
91.53828	1.1
95.35851	1.2
96.04516	11.0
97.02876	2.9
98.06053	7.5
98.21239	1.3
99.04465	1.3
109.02848	3.7
123.04379	1.7
126.05523	100.0
127.03877	1.3
137.05983	5.4
138.05510	60.7
144.06586	15.1
153.01810	1.3
167.07016	6.4
168.06529	14.9
186.07622	15.6
204.08687	83.0
249.11198	5.3
395.77963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.0
61.02920	5.0
71.08829	3.6
78.34928	1.4
81.03410	4.9
84.04510	99.1
96.04500	11.5
97.02901	2.5
98.06047	7.5
98.21243	2.3
99.04495	1.9
109.02873	2.9
126.05526	100.0
127.03917	2.8
137.05968	5.5
138.05507	62.0
144.06575	15.1
153.01875	1.9
167.03522	1.5
167.07077	6.9
168.06505	16.9
186.07613	15.5
204.08673	90.7
249.11169	6.2
281.13492	2.0
348.07883	1.6
427.88455	1.6
537.65961	2.1
632.38477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53339	0.3
69.53671	2.8
73.78719	0.4
74.02455	0.7
87.16374	0.4
91.05484	0.9
110.65612	0.3
115.05438	1.1
117.05785	0.8
117.07004	0.9
118.06549	17.1
130.06543	1.5
132.08101	5.5
142.06509	2.2
143.07297	2.8
144.08096	12.0
146.06018	63.9
147.06335	1.0
153.01833	1.3
159.09189	6.3
160.07599	0.6
170.06000	4.0
178.12135	0.3
188.07080	100.0
189.07414	1.4
205.09741	42.0
303.01132	0.4
621.28088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
53.03949	9.9
55.01868	6.4
55.05513	23.6
57.03437	12.8
62.57121	1.5
65.03933	2.8
67.05503	49.3
69.03430	19.7
69.07067	15.0
69.48632	8.5
69.49062	4.4
71.04998	10.3
77.03936	1.7
79.05494	44.5
81.03419	100.0
81.07057	66.2
83.04985	17.8
83.08610	21.8
85.02912	21.0
85.06569	3.8
91.03999	2.0
91.05487	47.0
91.06063	2.3
93.07045	42.2
95.04980	24.2
95.08606	19.3
97.02905	18.0
97.06532	9.9
97.10178	6.5
98.21043	7.2
99.04455	6.1
99.08107	3.0
103.05377	1.8
105.07032	31.7
107.04970	11.9
107.08595	23.4
109.02872	16.3
109.06525	5.3
109.10171	5.2
111.04441	14.2
111.08074	9.5
113.06017	1.9
117.07023	8.9
119.08593	19.7
121.06506	5.5
121.10146	14.9
123.04444	3.4
123.08112	1.9
123.11736	3.6
125.09645	4.6
126.87483	1.5
127.03930	9.9
128.06252	2.0
129.06999	15.4
131.04895	2.5
131.08586	17.4
133.06549	5.6
133.10153	13.0
135.08066	3.3
135.11717	6.7
137.05989	2.6
141.06946	3.2
142.07784	2.4
143.08574	4.8
145.06529	5.0
145.10112	5.0
147.08049	3.5
147.11693	18.3
149.09650	4.1
149.13249	11.0
157.06541	2.2
157.10112	11.3
159.08081	1.6
159.11711	8.3
163.11189	4.4
165.12787	6.1
169.10175	1.8
171.11687	3.5
173.04466	3.4
173.13315	2.0
175.11142	11.9
177.12773	4.5
181.12184	2.2
183.06612	2.2
189.11169	2.0
191.10721	3.6
193.12244	34.0
195.13832	9.7
201.12831	1.6
211.13303	47.7
211.15225	2.5
213.14754	1.9
227.12822	6.3
229.14328	2.2
233.15352	1.8
235.13329	2.1
261.14963	1.8
267.15866	13.1
269.17505	10.5
275.16602	2.9
283.15387	2.1
285.17117	7.0
301.14310	2.5
303.16058	3.6
321.17056	3.1
323.18573	1.9
337.16348	3.5
339.18134	6.7
351.23041	2.0
355.17587	1.8
369.24081	3.1
377.19696	2.5
387.25220	2.1
395.20630	6.4
406.93454	1.9
411.20184	3.6
435.27066	2.2
443.28046	5.5
461.28967	25.3
479.29935	17.3
485.28180	1.9
494.94727	2.0
503.30057	3.5
587.32379	3.8
605.32861	11.7
623.34265	75.8
624.34222	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71506	1.8
53.03949	11.9
53.43826	1.9
55.01869	5.1
55.05512	23.4
57.03446	11.4
60.59372	1.7
65.03929	4.1
67.05165	3.9
67.05505	56.4
69.03431	18.9
69.07069	18.7
69.46044	10.9
69.46448	4.4
71.05003	9.7
79.05496	41.8
81.03420	99.7
81.07058	73.7
83.04982	22.1
83.08623	21.2
85.02901	16.2
85.06522	3.5
91.05481	36.5
93.07045	49.9
95.04974	22.1
95.08605	20.7
97.02901	20.4
97.06527	12.4
97.10163	6.7
98.21095	7.6
99.04473	5.7
103.05505	2.7
105.07023	20.5
107.04947	8.9
107.08600	30.3
109.02861	14.1
109.06528	4.7
109.10168	6.3
111.04446	17.2
111.08061	12.9
117.07036	8.3
119.08570	18.6
121.06503	4.8
121.10146	16.1
123.08056	1.9
123.11734	2.1
125.09632	4.7
127.03924	8.3
129.07011	8.5
131.08575	13.1
131.94463	1.8
133.06514	4.0
133.10147	8.0
135.11713	7.2
139.07590	1.8
141.07063	2.5
141.28969	1.9
142.07811	2.5
143.08565	3.0
145.06505	2.8
145.10162	3.8
147.08099	2.9
147.11681	12.4
149.09592	6.0
149.13261	17.1
157.10097	10.0
159.11720	6.2
163.11201	6.6
165.12801	4.1
167.07094	2.6
173.04550	2.6
173.09842	2.8
175.11208	10.6
177.12814	5.7
181.12277	3.0
182.36618	1.8
191.10698	6.7
193.12262	30.1
195.13823	9.4
209.11787	3.6
211.13298	53.8
211.15228	3.2
213.14903	2.5
227.12827	7.5
233.35393	2.1
249.14975	2.8
257.15643	2.1
267.16025	7.8
269.17419	13.3
273.14761	2.5
277.69974	1.7
285.16873	4.0
337.16650	2.7
339.18179	7.4
355.17569	9.3
369.24277	2.7
377.19919	2.7
387.25589	2.4
395.20554	3.1
411.20273	6.6
435.27588	2.5
443.28128	2.5
461.28979	15.7
479.30017	15.9
550.54590	2.2
587.31866	3.8
605.33185	7.2
623.34241	100.0
624.34387	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.9
53.03951	12.6
55.01864	9.4
55.05512	26.7
57.03439	12.0
57.07086	2.6
62.49205	1.9
65.03934	3.8
67.05510	63.9
67.05871	3.4
69.03439	21.7
69.07069	20.0
69.96406	5.1
69.96808	2.9
71.01360	2.4
71.05002	11.9
75.74120	2.0
79.05499	47.8
81.03422	100.0
81.07062	73.9
83.04978	22.6
83.08619	24.4
85.02897	21.5
85.06557	4.5
90.03870	2.0
91.05486	44.5
91.06010	3.6
93.07054	51.3
94.91594	1.9
95.04968	29.4
95.08609	24.6
97.02895	17.1
97.06539	13.1
97.10181	6.8
99.04458	4.7
99.08118	3.9
100.27383	1.9
103.05418	2.3
105.07030	32.6
107.04977	11.3
107.08594	26.7
107.09189	2.5
109.02870	20.7
109.06544	7.2
109.10149	6.8
111.04442	15.5
111.08079	11.7
113.05994	2.2
115.05437	3.0
117.07008	12.7
118.82060	1.8
119.04999	2.5
119.08586	24.0
121.06517	7.5
121.10130	19.2
123.04395	3.2
123.08114	6.6
123.11703	3.5
125.09659	5.5
127.03931	11.0
129.07001	12.1
129.46979	2.0
131.04868	2.1
131.08578	16.8
133.06514	4.4
133.10121	15.1
135.08047	4.3
135.11713	8.8
137.09633	2.4
142.07791	2.8
143.08611	6.4
145.06538	6.2
145.10223	5.5
147.08069	3.7
147.11690	20.4
149.05972	2.6
149.09665	6.1
149.13254	14.3
153.12782	3.1
157.10130	12.7
159.11731	7.1
161.09612	2.5
163.11197	4.8
165.12798	6.4
167.07097	3.2
173.04491	4.4
173.09695	2.5
173.13428	2.7
175.11211	9.9
177.12784	4.7
181.12317	3.3
183.06592	2.7
189.11256	2.7
191.10703	2.4
193.12267	30.7
195.13751	9.6
211.13316	44.9
211.15208	3.2
213.14865	3.2
219.13771	2.2
227.12811	5.5
235.13300	2.3
267.15967	12.2
269.17487	11.6
275.16647	2.4
285.17120	7.5
301.14468	3.4
303.15976	4.3
321.17059	2.7
337.16504	4.8
339.18079	6.7
355.17749	4.5
369.24121	4.9
377.19644	2.3
395.20874	5.5
411.20197	3.5
443.27750	2.8
461.29004	24.1
479.29980	18.5
569.31915	2.9
605.33154	12.4
623.34253	79.2
624.34583	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01865	1.0
55.05508	1.1
61.19991	0.3
67.05506	2.0
69.07075	1.0
79.05496	1.9
81.03444	0.4
81.07081	1.8
83.04985	0.4
83.08605	0.5
88.82335	0.4
91.05494	1.9
93.07052	1.6
95.04984	0.4
95.08613	0.9
97.06541	0.9
98.21111	2.3
105.07036	2.0
107.04957	0.7
107.08611	0.6
109.10173	0.5
117.07049	0.7
119.08601	1.0
121.10139	0.4
122.15230	0.3
129.07047	0.5
131.08571	0.7
133.10184	1.0
143.08580	0.5
145.10124	0.9
147.11740	0.7
149.09673	0.8
159.11798	0.5
163.11166	0.4
179.14346	0.5
243.93068	0.3
257.19019	0.4
275.20126	2.4
374.15372	0.5
388.17026	0.4
389.17624	1.5
390.18799	0.7
391.19351	0.5
401.17755	1.1
402.18680	0.9
403.19431	1.9
404.20276	1.2
405.20920	1.6
415.19550	1.0
416.20432	0.5
417.17096	2.2
417.20993	2.2
418.17160	0.6
418.22116	0.6
419.22675	5.1
420.22928	0.5
428.16153	0.6
429.20892	1.1
430.17538	0.9
431.17758	3.6
431.23099	1.4
432.19034	1.9
433.20099	2.5
435.21970	0.6
443.18576	4.1
444.19412	1.3
445.20120	9.1
446.20975	5.6
447.22247	6.2
449.23566	1.9
450.24026	0.5
457.20425	1.0
458.21048	1.1
459.22083	3.6
460.22760	0.6
461.19827	1.2
462.20587	1.6
463.21329	2.5
471.21936	0.5
473.23328	1.0
475.20871	2.2
476.22153	5.7
477.22910	5.9
487.21509	0.5
489.22943	2.5
490.23697	0.8
491.20682	0.7
492.25372	0.4
501.22629	0.5
503.24875	0.5
505.22028	0.6
505.26318	0.5
508.24457	0.5
517.22400	0.4
521.22314	1.2
533.25543	14.4
534.27100	0.4
535.24384	1.2
549.25116	0.6
563.26532	17.5
564.26532	0.7
593.27747	3.5
594.25269	1.1
605.27722	0.8
623.28668	100.0
624.29108	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10805	0.2
60.72157	0.2
67.05495	0.6
67.40013	0.2
69.60554	1.3
78.16361	0.2
79.05497	0.5
80.22152	0.2
81.07054	0.4
91.05481	0.4
93.07071	0.5
95.08595	0.3
97.10189	0.3
98.20879	0.5
98.21468	0.4
107.08559	0.3
119.08593	0.2
121.10143	0.3
125.09607	0.3
160.45171	0.2
175.54631	0.2
209.10721	0.3
221.10892	0.3
233.10873	0.3
257.55716	0.2
271.17041	0.5
362.16800	0.2
374.15561	0.3
375.16119	0.8
377.17413	0.3
387.16043	0.4
388.17157	0.4
389.17584	3.2
390.18262	1.5
391.19138	3.3
392.19937	0.4
393.20697	0.3
401.17984	0.6
401.47531	0.2
402.18634	0.5
403.14679	0.3
403.19568	2.5
404.19952	1.7
405.20782	8.0
406.21567	0.8
415.19409	0.7
416.20471	1.1
417.16522	6.4
418.17401	2.8
419.18365	2.9
431.18207	5.6
432.19363	8.0
433.20111	9.0
434.21222	0.4
435.21960	0.3
443.18390	0.4
444.19681	0.4
445.20334	2.6
446.21283	1.3
448.22931	0.3
449.23749	1.1
450.24390	0.2
458.20959	0.3
459.22339	1.6
460.22913	0.3
461.19238	1.7
462.20422	1.3
463.21286	1.8
464.22131	0.4
475.21146	1.9
476.22067	4.9
477.23550	4.4
478.23795	0.6
487.21393	0.8
489.22949	1.3
490.23761	0.5
491.24762	1.9
503.24268	0.7
505.22504	0.7
508.25064	0.3
519.23932	21.8
520.24585	0.7
521.21509	1.0
530.23444	0.3
535.26892	0.7
545.25348	0.4
547.23682	0.7
548.23669	0.4
549.23969	0.2
551.26569	0.5
563.26495	13.1
564.26855	0.6
579.26019	5.3
591.25934	0.4
605.27875	0.5
623.28625	100.0
624.28967	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42865	0.4
59.98252	0.4
61.51285	0.3
67.05515	0.8
69.07067	0.5
69.51343	3.1
71.88424	0.4
79.05489	0.8
81.07053	0.9
90.61752	0.4
91.05450	0.9
93.07076	0.8
95.08626	0.9
98.21046	1.5
98.21620	0.4
105.49565	0.4
107.08637	0.4
109.10229	0.5
119.08597	0.5
131.08597	0.5
137.34186	0.4
139.04999	0.5
145.10097	0.4
151.07780	0.4
157.10184	0.5
198.65317	0.4
206.31940	0.5
376.16653	0.6
377.17764	0.7
389.17624	0.7
390.18503	0.6
391.19376	1.5
392.19955	1.1
403.19531	0.7
404.20508	0.7
405.16208	0.6
405.21204	3.1
406.21552	2.1
407.22266	1.2
418.17468	2.3
419.17889	2.9
419.23193	1.2
420.18658	0.4
420.23532	4.7
421.23932	3.9
432.19254	1.9
433.20010	8.2
434.20917	2.9
435.21912	1.1
446.20953	1.5
447.22107	6.0
448.17987	0.5
448.22739	6.0
449.23709	3.1
460.22723	0.4
461.19186	0.7
461.24091	0.7
462.20547	1.2
463.21338	2.6
465.23138	0.7
475.21426	1.3
476.22021	5.2
477.22864	7.4
479.24762	0.9
489.22934	1.7
493.26660	0.6
503.24597	1.4
519.24084	0.7
520.24628	0.6
521.21631	1.2
534.26465	2.5
535.27527	4.4
551.26855	0.5
563.26538	23.7
564.27081	0.8
591.26074	0.9
594.28320	1.5
595.28644	1.0
623.28644	100.0
624.28802	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	0.4
69.40563	1.5
69.40990	0.9
75.25268	0.3
81.07047	0.3
93.07034	0.3
95.08591	0.3
98.20833	0.5
98.21478	0.5
106.06600	0.4
122.65152	0.3
130.57742	0.3
131.62811	0.3
211.12271	0.5
217.56844	0.3
223.12286	0.3
225.10153	0.4
237.10312	0.3
237.13817	0.4
263.12039	0.3
275.20547	0.3
311.14145	0.5
342.16074	0.4
375.15927	0.4
377.17651	0.4
389.17691	1.0
390.18402	0.6
391.19354	1.3
392.19803	0.3
393.20862	0.4
401.17905	0.5
403.19321	1.2
404.20096	1.0
405.16852	0.9
405.21387	2.0
406.21552	1.3
407.22375	1.3
416.20114	0.6
417.16217	1.5
417.21313	1.1
418.17770	1.2
418.22467	0.4
419.18527	1.9
419.22528	2.0
420.18759	0.5
421.24207	2.0
429.17191	0.7
430.18045	0.9
431.18661	1.2
431.22958	1.0
432.19641	1.2
433.19992	3.0
434.21017	1.0
435.21884	2.0
443.18857	0.9
445.20163	3.1
446.21164	1.2
447.22571	3.5
448.22803	1.6
449.23474	5.2
450.24017	0.6
457.20071	0.6
458.21161	0.8
459.22101	1.7
460.22913	0.5
461.18790	2.2
462.20486	1.0
463.21118	2.0
473.23734	0.3
475.20462	1.8
476.22012	4.4
477.22876	4.4
489.23096	2.2
490.23773	0.5
491.20584	0.4
493.22525	0.7
503.24387	1.3
505.22797	0.6
507.27939	0.4
517.22021	0.4
519.24005	0.3
520.24377	0.5
521.22260	1.0
531.23749	0.4
533.25647	3.0
535.27509	3.3
545.25763	1.5
548.24347	0.6
563.26526	15.9
564.26813	0.9
591.26013	1.1
593.27600	0.6
595.29138	0.8
605.27533	3.1
623.28650	100.0
624.28918	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.5
55.55755	0.5
69.69550	3.5
70.36818	0.6
77.81604	0.5
98.20934	1.0
98.21424	0.5
100.10964	0.5
136.72673	0.6
145.50685	0.6
170.54530	0.5
223.12181	0.8
237.13907	0.8
251.15482	0.6
268.92636	0.5
306.06802	0.5
375.16220	0.6
376.16919	0.9
377.17593	1.3
389.17935	1.1
390.18433	1.1
391.19104	3.3
392.19873	1.9
393.20673	1.8
399.16312	0.9
400.16730	1.4
401.17719	1.4
403.19559	1.3
404.20447	1.0
405.21008	4.3
406.21548	3.1
407.22354	12.3
413.17670	2.0
414.18329	2.5
415.19257	4.5
416.20096	1.1
417.21237	1.2
418.17670	0.7
419.17877	0.9
419.22925	1.1
420.23120	2.1
421.23828	9.2
422.24631	1.8
427.19205	2.0
428.20047	2.2
429.20956	10.2
430.21686	2.3
431.18115	0.9
431.22906	0.9
433.23889	2.0
442.21637	2.0
443.22595	7.5
444.23532	3.7
445.19843	2.9
447.18283	1.9
449.23447	1.1
456.19370	1.5
457.24493	4.9
458.25018	5.9
459.21655	6.1
460.22760	1.5
461.19193	3.8
462.20456	1.6
463.20944	0.6
470.21219	1.6
471.21899	1.4
472.22568	6.7
473.18869	0.8
473.24084	1.5
475.21066	5.3
476.21487	3.9
477.22794	2.8
478.23410	1.0
483.18243	0.8
485.23593	12.5
486.20096	2.1
486.24216	2.6
487.20663	1.0
488.21945	1.9
489.22586	2.9
490.23669	0.7
498.19675	0.7
499.21106	3.1
500.22061	2.5
502.23563	1.5
503.24548	5.4
504.24759	1.0
513.22791	3.1
514.23810	1.7
515.24628	0.9
517.26270	7.6
519.24487	0.8
529.26263	1.5
531.23737	2.0
535.27063	4.5
545.25494	79.4
546.25793	2.9
562.25555	0.6
563.26349	1.0
564.27545	1.6
573.15765	1.2
573.24969	19.2
574.25305	0.7
591.25745	1.4
605.27576	100.0
606.27869	3.7
623.28625	93.1
624.29095	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10393	0.4
53.03950	0.5
55.05511	1.0
59.83255	0.4
66.22122	0.4
67.05513	3.3
69.07069	1.1
71.57723	0.4
79.05492	2.1
81.03435	1.2
81.07056	2.8
91.05476	2.7
93.07063	2.1
95.04981	1.0
95.08611	2.1
97.06566	0.6
97.10181	0.5
105.07040	1.5
107.08590	0.8
109.10186	1.1
117.07041	0.6
119.08604	1.5
121.10143	0.9
129.06993	0.6
131.08606	1.1
133.10146	1.0
135.11705	0.7
139.03899	0.7
143.08563	0.6
145.10103	0.9
148.50441	0.5
151.03966	0.6
157.10210	0.4
159.11745	0.5
161.36823	0.4
177.09174	0.5
185.13240	0.4
209.10724	0.6
210.11551	0.6
223.12306	0.7
224.13133	0.7
237.14011	0.7
239.15536	0.5
249.55356	0.4
251.11766	0.5
261.22128	0.4
265.13446	0.7
275.20334	0.5
294.15466	0.4
308.22644	0.4
311.14075	0.5
329.15640	0.4
333.13416	0.9
345.13370	0.5
389.17865	0.6
391.19330	0.7
401.18042	0.5
402.18472	0.5
403.19498	2.4
404.19894	1.3
405.20715	1.0
415.19278	0.7
416.19989	0.6
417.16458	0.7
417.20999	1.5
418.21585	1.3
419.22690	0.7
430.17941	1.8
431.18079	3.7
432.19675	1.3
433.20303	1.8
435.21643	1.1
443.18408	0.8
444.19223	1.0
445.20221	4.4
446.20920	2.3
447.22235	2.1
449.23532	3.0
450.24530	0.4
459.22018	1.0
461.19168	3.5
462.20697	1.8
463.20926	2.4
475.20770	3.0
476.21994	7.1
477.22903	8.4
489.22900	2.2
490.23630	0.7
491.25021	0.9
503.24481	1.7
508.24509	0.7
517.22986	0.6
521.22125	1.6
531.23804	0.7
533.25836	1.9
535.27295	2.3
548.24066	0.7
563.26508	25.7
564.27057	1.2
591.26257	2.0
595.28381	0.7
623.28656	100.0
624.28784	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10865	0.2
62.58563	0.2
63.00092	0.3
69.63870	0.8
69.64301	0.7
70.80177	0.2
82.21046	0.2
98.20707	0.3
98.21249	0.6
107.58353	0.3
127.88835	0.3
130.40500	0.2
132.57365	0.3
209.10854	0.4
224.13220	0.4
237.13953	0.4
239.15417	0.4
239.17998	0.3
251.15347	0.4
266.95975	0.3
375.16687	0.3
376.17087	0.7
377.17603	1.2
378.18555	0.9
388.17578	0.4
389.18396	0.6
390.18716	1.1
391.19034	2.9
392.19824	1.8
393.20886	0.9
399.16083	0.7
400.16901	0.4
401.17664	0.7
402.18759	0.4
403.19641	0.8
404.15811	0.4
404.20453	1.0
405.20840	3.1
406.21490	3.2
407.16788	0.5
407.22290	8.9
413.17731	1.1
414.18442	1.2
415.19168	2.0
417.21347	0.6
419.23007	1.5
420.23386	1.3
421.23837	7.8
422.24506	1.8
427.19379	0.7
428.20261	1.5
429.20868	4.5
430.21671	1.2
431.18118	0.5
432.19409	0.6
433.19449	1.4
433.24271	1.3
434.24963	0.6
441.21082	0.4
442.22079	0.3
443.22662	2.3
444.23825	1.3
445.20145	1.9
446.21280	0.5
447.18222	1.3
449.23499	0.4
452.22177	0.3
455.18927	0.4
456.19186	0.4
457.24930	1.5
458.24951	2.4
459.21814	2.7
460.23083	1.6
461.19052	3.3
462.20648	1.2
463.20816	1.2
470.21365	0.6
471.22495	0.5
472.22760	1.8
473.18793	0.6
473.24088	0.8
474.20367	0.6
475.21057	4.9
476.21777	3.5
477.22607	3.1
478.23697	0.4
484.18906	0.5
485.23666	5.0
486.20602	1.2
486.24045	0.8
487.20148	1.3
487.26233	0.3
488.21960	1.3
489.23050	2.4
490.24167	0.4
493.25769	0.5
499.21246	5.1
500.21927	1.0
501.22833	0.4
502.23798	0.4
503.24478	6.8
504.21564	0.4
505.22330	0.6
507.24036	0.9
508.28622	0.6
511.41696	0.3
513.22803	1.5
514.23694	1.0
515.24518	1.1
517.26892	2.7
518.23236	0.4
521.25378	0.8
529.25647	0.6
530.23096	0.5
531.24164	0.4
535.27148	5.0
545.25464	22.1
546.25879	1.1
563.26727	1.5
564.27246	1.8
573.24982	6.0
574.25824	0.3
577.27972	1.3
591.25983	2.4
605.27576	16.7
606.27545	0.5
623.28619	100.0
624.28815	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84478	0.7
69.84887	1.7
220.80017	0.4
226.59744	0.5
314.92889	0.5
326.51700	0.5
375.15979	0.6
377.17813	0.5
387.16318	0.9
388.17081	0.5
389.17468	0.9
391.19357	1.4
401.17755	1.0
402.18509	1.0
403.19275	1.6
404.20108	0.8
405.20905	2.3
406.21439	0.8
407.22281	0.8
413.18304	0.5
415.19171	1.3
416.20255	0.9
417.16370	1.1
417.21695	2.6
418.17499	0.7
419.17749	0.5
419.22632	4.0
420.23370	0.9
429.21347	0.9
430.18033	1.6
431.17770	2.7
432.18921	0.7
432.23779	0.6
433.20224	5.5
434.21036	1.2
435.21860	0.9
443.18616	1.6
444.18970	2.1
445.19922	4.1
446.21158	3.1
447.22034	4.0
448.22504	0.5
449.23349	1.0
458.21011	8.3
459.21741	5.5
460.22885	4.4
461.19376	0.5
462.20752	1.1
463.21240	2.3
465.23090	0.5
471.21973	0.7
472.22806	0.7
473.23407	1.4
474.20190	0.6
475.21469	1.5
476.22083	1.4
477.23032	2.3
489.23190	0.9
490.23599	0.6
503.21021	0.6
503.24490	0.8
504.25574	0.6
505.22052	0.8
505.26416	0.7
517.22095	0.8
518.23016	5.4
521.22284	1.3
530.22101	0.5
531.24133	0.9
532.24762	0.7
533.25549	7.5
534.26324	0.5
535.27008	1.6
545.25665	3.8
546.26410	1.2
562.25952	0.6
563.26520	7.0
573.24945	0.9
577.28320	0.9
591.25452	0.4
605.27582	11.0
606.28442	0.8
623.28632	100.0
624.28778	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75623	0.2
70.06503	1.1
98.21399	0.3
169.66553	0.2
374.16476	0.4
375.16025	0.5
376.16959	0.4
377.17978	0.4
389.18317	0.4
390.18356	1.0
391.19275	1.4
403.15561	0.3
404.15912	0.6
404.20782	0.7
405.20874	3.3
413.17563	0.4
414.18423	0.3
415.19354	0.8
416.20288	0.4
417.21210	0.6
418.17609	0.3
419.18051	1.6
420.23566	1.3
421.24319	0.5
427.19357	0.3
428.20578	0.6
429.21060	1.7
430.21713	0.7
431.18024	0.5
431.23203	0.5
433.19943	3.4
434.20813	0.3
435.21887	0.5
442.22021	0.3
443.22412	1.1
444.23138	1.2
445.19629	0.7
445.24979	0.4
446.17181	0.8
447.17929	8.2
448.22986	2.5
449.23251	2.5
457.24496	0.4
458.24741	0.9
459.21216	2.4
460.22702	1.4
461.19431	8.3
462.20370	1.0
463.21271	1.4
471.21912	0.4
472.22684	2.1
473.23935	1.4
474.24039	0.4
475.20685	1.4
476.22073	21.2
477.22873	3.3
479.20636	1.2
485.23520	2.7
486.23865	0.6
487.25195	2.5
489.19366	1.0
493.22354	0.3
503.24869	1.6
508.24338	0.4
513.23492	0.3
517.26202	1.5
518.23010	0.4
519.23792	1.9
521.22113	0.7
522.56622	0.3
531.23804	3.0
535.23370	0.4
545.25513	13.0
546.26215	0.9
547.27173	0.5
563.26575	7.1
564.27234	0.4
573.24988	0.8
591.26184	0.7
605.27618	2.4
623.28644	100.0
624.28979	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
57.07053	0.6
67.05518	0.5
68.76359	0.6
69.07039	0.6
79.05503	0.5
81.07066	0.7
93.07066	1.0
95.08600	1.2
98.21126	4.5
105.07041	1.0
119.08662	0.6
131.08630	0.7
138.24037	0.6
147.50659	0.6
174.55185	0.5
229.67545	0.7
248.62048	0.6
375.17056	0.6
387.16101	0.8
388.18054	0.7
391.19446	0.6
399.16318	0.7
402.19516	0.6
403.19427	0.9
404.20786	0.9
412.17905	0.9
413.18079	1.3
414.18234	2.6
415.19458	3.4
416.20425	1.6
417.21051	1.2
418.22125	1.1
419.18112	1.2
419.22601	1.5
427.19345	1.3
428.20190	1.4
429.20923	8.9
430.21674	1.8
431.18143	0.9
431.23038	1.1
433.24036	1.9
435.21695	0.9
443.22482	5.9
444.23730	5.0
445.19418	0.8
445.24274	2.0
447.22684	2.9
449.23532	2.4
456.19434	0.8
457.20126	2.3
457.24805	1.9
458.25204	4.6
459.21640	6.7
460.22546	3.5
461.19040	2.0
461.23596	4.1
462.20514	3.2
470.21106	1.0
471.21732	1.2
472.22534	6.2
473.23468	4.3
474.20001	0.9
475.21155	2.5
476.22116	3.2
477.22827	6.6
485.23395	8.0
486.24088	1.9
487.25089	7.2
489.22543	1.2
503.24451	3.7
505.22516	0.9
513.22943	1.0
517.26398	5.2
519.24371	0.7
520.24658	1.7
521.21625	1.2
531.23950	7.3
532.25061	0.7
535.26630	1.0
545.25507	62.3
546.26019	2.6
548.24420	1.1
563.26508	34.3
564.26971	0.8
573.24597	0.9
574.11298	0.8
577.27747	1.3
591.25891	2.3
605.17651	0.7
605.27576	22.2
623.28619	100.0
624.28851	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	623.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01868	2.0
55.05516	11.1
57.03417	1.0
57.07064	1.3
57.09171	0.9
63.43435	0.9
65.03960	1.5
67.05508	14.1
69.03427	2.4
69.07074	7.7
71.04997	1.9
71.58154	1.4
79.05504	13.7
81.03432	3.3
81.07066	13.4
83.04977	2.5
83.08632	4.3
91.05495	10.9
93.07046	11.6
95.04974	3.3
95.08625	8.3
97.06506	1.2
97.10181	5.1
98.21280	1.7
99.61782	1.2
105.07043	9.7
107.04971	1.6
107.08622	7.5
109.10173	7.2
111.08100	1.2
117.07039	6.7
119.08593	8.7
121.10156	3.3
123.08099	1.3
125.09642	4.9
128.06244	1.5
129.06987	5.6
131.08557	6.2
133.06529	1.7
133.10104	5.0
135.08159	1.8
135.11650	1.4
141.07004	2.6
143.08578	6.8
145.10155	5.6
147.04376	1.3
147.11725	2.9
149.09587	1.3
149.13263	1.3
154.07805	1.1
155.08580	5.9
157.10150	4.9
159.11681	3.9
161.13298	2.5
163.37527	1.1
167.08617	1.7
169.10158	3.3
171.10410	1.1
171.11745	3.6
173.13277	2.2
179.08542	1.6
181.10190	3.5
183.11737	4.4
185.13297	3.1
189.11217	3.4
193.10225	1.5
195.11659	3.6
197.13319	2.3
199.14830	1.2
207.11682	2.1
209.13390	2.4
221.13280	1.2
225.16383	1.2
227.12779	1.8
237.16283	1.4
239.18051	1.7
259.20746	1.7
273.18378	1.2
275.20267	1.5
291.19559	3.4
336.15277	1.2
363.16037	1.6
363.26907	1.2
375.16641	1.7
376.17041	1.9
377.17709	3.5
378.18384	2.3
379.30084	3.2
389.17551	1.6
390.19150	1.3
391.19293	4.7
392.20337	2.3
393.20859	4.8
399.16095	1.7
400.16867	1.7
401.17612	1.5
403.19528	1.5
405.16736	2.2
405.21207	2.1
407.22369	3.1
413.17514	1.8
415.19144	3.8
416.20453	1.6
417.16489	1.9
419.18600	4.5
420.19400	1.7
421.20212	6.4
428.19849	2.3
429.20975	2.0
430.22064	1.8
431.18890	2.1
433.20801	2.1
435.21860	2.0
443.22723	2.0
444.19409	1.8
445.20169	3.3
447.17499	5.5
448.18835	4.4
449.19675	5.0
457.20743	1.9
458.20776	1.6
459.18317	1.3
461.19623	3.1
462.20404	2.1
471.22519	5.0
472.18814	1.5
473.19235	2.5
474.20639	2.3
475.21906	2.1
476.18481	2.5
477.19147	3.2
479.24582	3.0
484.19357	1.3
485.19565	1.5
486.20493	2.2
489.18460	1.8
489.22974	3.3
490.20053	3.9
491.20682	3.2
499.21484	11.6
500.19250	1.2
501.22812	3.9
503.21042	5.6
507.23965	4.8
513.19421	1.8
513.37262	2.1
516.22205	1.2
517.22333	8.5
518.22351	1.8
527.20734	2.8
529.22015	7.1
531.20599	1.5
531.37958	2.0
535.23389	9.5
545.21893	34.2
549.39600	1.9
555.20221	1.8
563.22906	14.1
564.23755	2.6
573.21460	11.0
595.25299	2.6
605.23938	64.5
605.42072	6.1
606.24408	2.7
623.25024	100.0
623.42511	31.9
624.25140	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42375	0.2
60.24549	0.3
60.95590	0.2
69.58385	0.6
69.58795	1.3
79.08031	0.2
98.99541	0.3
107.08533	0.3
116.76102	0.2
132.08022	0.2
195.38251	0.2
204.10942	0.3
249.13908	0.3
300.14880	0.3
314.16373	0.3
376.16904	0.3
389.17767	0.3
390.18768	0.5
391.19125	0.7
397.15765	0.3
399.15836	0.5
401.17535	0.6
402.18887	0.4
403.19250	0.9
404.20004	0.9
405.21054	0.5
411.16931	0.3
412.17917	0.3
413.17587	0.9
414.18298	1.2
415.19373	2.0
416.20203	1.3
417.20999	0.8
418.21964	0.4
419.18005	0.7
419.23215	1.2
420.18460	0.3
426.19656	0.3
427.19287	0.9
428.20087	1.8
429.15771	0.4
429.20920	7.3
430.21967	1.6
431.17722	1.2
431.23386	0.4
432.19418	1.0
433.24622	1.8
434.21005	0.6
435.21747	0.3
441.16541	0.4
442.21619	1.0
443.22534	5.0
444.23627	3.4
445.23920	1.9
446.20993	0.4
447.17108	0.5
447.22684	1.8
448.22220	0.6
449.23492	1.5
455.18677	0.4
455.83841	0.3
456.19312	0.6
457.19766	1.0
457.24072	1.4
458.24942	3.7
459.21680	5.2
460.22806	2.7
461.19061	1.3
461.23389	2.9
462.20328	2.1
463.20984	0.4
470.21017	0.7
471.21829	1.1
472.22662	4.9
473.23810	3.0
474.20874	1.0
475.20963	1.8
476.21997	1.8
477.22961	3.3
478.22729	0.3
481.85147	0.3
485.23416	6.4
486.24411	1.7
487.25073	4.1
488.21884	0.9
489.23056	1.3
490.22910	0.3
491.20499	0.4
502.23444	0.4
503.24567	3.2
513.22968	0.7
516.21643	0.3
517.26141	4.4
519.24188	1.2
520.24603	0.6
521.21674	0.7
531.23920	4.9
535.25879	0.9
545.25482	51.5
546.25873	2.6
548.24042	0.5
563.26410	11.6
563.35242	0.6
564.26831	0.7
577.28101	0.9
591.26147	0.8
595.39105	0.3
605.27521	3.9
623.28589	100.0
624.28955	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	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.4
55.01868	8.1
55.05302	2.4
55.05520	27.1
56.79969	1.8
57.03437	11.6
62.49302	1.8
65.03950	3.2
67.05170	2.5
67.05508	44.9
69.03425	15.1
69.07043	10.4
70.89409	5.4
70.89782	2.6
71.01334	2.4
71.04990	6.2
79.05495	46.5
81.03420	100.0
81.07064	42.7
83.04995	17.6
83.08624	23.8
85.02914	22.8
85.06554	2.5
91.05485	38.7
93.07047	35.2
95.01350	1.8
95.04974	51.7
95.08611	15.6
97.02903	20.5
97.06527	7.3
97.10173	12.9
98.21257	2.6
99.04455	5.3
103.05484	4.8
105.03374	2.7
105.07035	33.2
107.04974	23.1
107.08607	19.0
109.02883	15.3
109.06512	7.9
109.10160	9.0
111.04459	13.3
111.08070	7.5
115.05478	4.1
115.28113	1.9
117.07030	12.9
119.04958	4.6
119.08591	26.3
121.02892	2.5
121.06527	10.4
121.10152	10.2
123.04424	12.4
123.08066	7.1
123.11697	4.0
125.02399	2.5
125.06004	2.4
125.09624	8.0
127.03910	10.3
128.06178	2.8
129.06990	14.6
130.07732	2.3
131.04950	7.7
131.08568	20.1
133.06490	9.4
133.10158	15.2
135.04469	3.6
135.08060	8.2
135.11699	8.3
137.06021	5.4
138.67876	2.4
141.07018	5.5
142.07811	4.4
143.08575	8.5
145.06500	12.3
145.10130	14.0
147.04424	9.1
147.08025	9.7
147.10599	2.1
147.11658	12.9
149.05991	9.1
149.09615	8.6
149.13272	2.3
151.03908	2.6
151.07523	3.7
153.01895	2.9
153.09097	2.2
153.12694	2.6
155.08647	5.3
157.06566	3.4
157.10114	14.7
159.08047	4.4
159.11691	3.5
161.05989	6.8
161.09647	5.8
163.11186	11.6
165.12741	5.5
167.07100	2.9
167.08582	3.3
168.05890	2.3
169.06427	3.1
169.10120	3.2
171.08061	5.3
171.11703	5.4
173.04454	7.6
173.05995	5.9
173.09605	3.7
173.13303	2.6
175.07571	3.3
175.11195	7.6
177.12563	2.6
181.10138	2.7
181.12210	2.8
185.09705	2.8
187.07559	4.8
189.05432	4.6
189.11214	5.1
189.12766	3.3
191.10658	4.8
193.12245	32.3
196.30733	2.2
205.12279	2.5
209.09683	2.0
211.13310	32.0
213.12740	2.8
223.13297	4.9
227.12788	7.4
235.13322	8.4
239.14275	2.7
244.71307	2.0
249.14851	4.9
255.13705	4.0
259.13333	4.1
261.14838	2.5
267.15933	12.2
273.14914	18.8
283.13092	4.3
285.17072	8.6
289.14310	3.3
291.15659	2.6
301.14328	22.1
303.16031	2.4
309.16928	3.4
316.11087	2.6
319.15338	13.4
329.17310	2.9
337.16428	4.8
341.17444	2.3
349.21732	3.0
367.22699	6.4
375.17960	7.1
385.23697	9.3
393.19147	3.9
395.20605	2.6
403.24646	6.5
433.25241	2.8
441.26239	3.7
459.27539	16.1
477.28192	7.2
493.25766	4.1
501.28519	6.4
543.29285	4.3
555.29211	3.1
567.29395	8.5
585.30560	18.3
603.31598	15.2
621.32831	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03951	8.2
55.01871	7.9
55.05510	19.8
57.03437	7.0
57.07073	1.8
59.05005	1.2
65.03941	2.0
67.05507	33.7
68.62421	0.7
69.03069	1.1
69.03420	17.9
69.07070	8.2
69.40536	2.8
69.40971	2.4
71.01344	1.3
71.04990	6.6
71.22375	0.6
73.02911	0.9
74.57714	0.6
77.03921	0.9
79.05490	33.9
81.03417	100.0
81.07056	34.3
83.04983	17.4
83.08620	18.4
85.02513	0.4
85.02903	19.6
85.06541	3.0
91.05481	41.4
93.03397	0.7
93.07041	23.7
95.01350	0.8
95.04973	35.0
95.08611	13.4
97.02893	15.2
97.06516	6.0
97.10160	8.6
98.20798	1.6
98.21439	1.5
99.04460	4.6
99.08099	2.5
103.03957	0.9
103.05473	2.7
105.04551	0.8
105.07030	26.8
105.17761	0.7
106.07353	0.7
107.04950	13.2
107.08593	14.4
109.02879	27.3
109.06522	8.0
109.10159	7.2
111.04436	9.9
111.08082	8.4
113.06031	1.5
115.05411	3.1
117.07028	8.7
119.04961	3.0
119.08576	22.5
121.06497	8.1
121.10136	12.1
123.04411	5.8
123.08034	4.6
123.11703	3.5
125.02386	3.9
125.06013	1.8
125.09621	8.6
127.03918	8.8
128.06227	2.8
129.05524	0.8
129.07010	13.6
131.04935	4.2
131.08568	14.2
133.06509	7.0
133.10127	11.4
135.04417	1.5
135.08101	4.3
135.11665	4.1
137.06018	1.6
137.09572	3.0
139.07565	0.9
141.05499	0.7
141.06995	2.8
142.07777	2.8
143.08560	4.5
145.06454	5.7
145.10095	6.9
147.04417	3.8
147.08043	5.9
147.11681	17.5
149.06003	3.0
149.09625	7.7
149.13205	0.8
151.04034	0.6
151.07590	1.9
151.11256	1.4
153.01811	4.8
153.05510	0.7
153.09096	0.8
153.12794	1.5
154.02164	0.7
155.08537	3.8
157.06497	2.7
157.10130	12.5
159.08066	2.7
159.11723	2.4
160.05260	0.7
161.05956	3.8
161.09636	2.0
161.13333	1.8
163.07487	0.9
163.11169	6.7
165.05544	0.7
165.09227	1.6
165.12727	5.8
167.07082	5.6
167.08461	1.2
169.10178	2.4
171.08086	3.1
171.10390	0.8
171.11748	2.8
173.04489	5.8
173.06030	2.2
173.09694	2.9
173.13277	1.0
175.07642	1.8
175.11182	10.7
177.05524	1.0
177.12704	1.2
179.08562	0.7
181.10219	1.4
181.12271	2.8
183.08105	1.5
183.11713	1.4
185.05963	0.8
185.09685	1.4
185.13281	1.6
187.07581	1.3
187.11234	2.2
189.05501	2.1
189.09283	1.1
189.11217	2.9
189.12845	2.2
191.07042	0.9
191.10719	2.4
193.12241	33.9
194.15575	0.7
195.08061	0.8
195.11739	1.4
197.09639	0.8
197.13289	1.1
199.11244	1.5
199.14931	0.7
201.09065	0.8
203.07021	1.0
203.14400	1.1
205.12286	1.9
207.13870	2.3
209.11673	1.4
209.15318	1.2
211.13295	37.2
213.12807	1.7
215.10716	1.0
215.14436	0.9
217.12303	1.2
219.13730	0.9
221.09755	0.8
223.13254	1.2
227.12660	5.5
229.12241	1.3
231.13858	1.1
233.15384	1.0
235.13303	3.2
237.12755	0.8
245.15431	1.3
247.13399	1.7
249.14891	3.4
255.13925	2.3
257.15454	0.8
259.13431	2.1
261.14932	1.2
265.14426	0.8
267.15936	10.3
271.13321	1.0
273.14850	9.5
277.14420	1.7
283.13126	1.4
283.15796	1.3
285.17139	6.2
289.14493	1.8
291.15857	1.6
301.14316	9.9
303.16074	1.5
309.17026	1.0
311.16431	0.8
313.16586	0.7
319.15311	5.9
337.16492	4.4
355.17587	2.2
357.24393	1.2
363.18353	0.8
367.22656	3.3
375.17981	3.8
385.23941	3.9
393.19016	5.3
403.24973	2.3
411.20197	2.3
441.26239	1.5
459.27359	6.1
469.26337	0.7
477.28580	5.9
495.29575	6.6
501.28668	1.2
511.26944	1.1
543.29401	1.5
567.29510	1.4
573.30688	2.5
585.30554	7.2
603.31592	10.7
621.32831	52.3
622.33002	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.53101	0.4
71.49492	0.7
78.32980	0.3
80.79999	0.4
82.92850	0.3
187.20634	0.3
201.01012	0.4
204.63472	0.4
306.82053	0.3
322.88092	0.4
375.16238	1.1
387.16275	1.1
388.16959	1.2
389.17685	2.6
390.18262	1.3
391.19366	1.1
401.17896	0.9
402.14182	0.4
402.18622	1.4
403.19427	4.2
404.20041	2.5
405.20892	1.7
414.18588	0.5
415.19330	1.0
416.15768	0.7
416.20441	1.1
417.16919	1.7
417.21808	2.5
418.21729	1.2
419.22427	4.4
420.23068	0.6
429.21210	0.6
430.22040	0.9
431.17752	3.0
431.23068	1.4
432.19476	1.4
433.20389	1.0
441.20413	0.4
443.18283	0.5
445.20648	4.7
446.20987	3.6
447.21890	6.3
459.18326	3.2
460.18625	0.8
461.19904	2.2
473.19995	1.3
474.20483	8.2
475.21295	13.5
487.21249	3.1
488.22214	1.0
491.20844	0.5
501.22809	2.7
505.26007	1.6
518.23138	0.7
519.20319	0.8
529.22223	1.1
533.25580	7.5
561.24976	29.4
562.25507	1.3
565.28204	0.5
589.24219	1.6
593.27325	0.7
621.27063	100.0
622.27325	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05512	0.6
68.69151	0.3
69.92007	1.2
74.99222	0.3
79.05484	0.4
81.07050	0.4
90.37843	0.3
91.05494	0.6
93.90889	0.3
105.07038	0.6
133.10147	0.4
166.98691	0.3
233.10773	0.3
270.63538	0.3
273.34589	0.3
286.13397	0.4
374.15414	0.9
375.16165	0.9
376.17139	0.3
388.17001	1.0
389.17725	2.1
390.18466	1.2
391.19113	0.5
401.17752	1.1
402.13956	0.5
402.18509	1.3
403.19507	4.5
404.20206	1.8
405.20807	2.7
413.18076	0.4
415.19397	1.0
416.16473	1.3
417.16284	3.6
417.21213	1.7
418.17310	0.7
418.21771	1.1
419.22440	5.8
420.23532	0.5
429.16699	0.5
430.17892	1.2
430.22546	0.5
431.18158	6.4
431.23468	0.5
432.19043	2.4
433.20120	2.4
438.18317	0.4
443.19055	0.7
444.19876	0.8
445.20157	6.3
446.21014	6.7
447.21893	9.4
448.22675	0.7
459.17163	0.6
459.21860	2.0
460.18842	0.9
460.23657	0.4
461.19614	1.8
463.21350	0.6
473.19553	1.3
473.24484	0.5
474.20203	4.7
475.21295	7.5
487.21399	2.9
488.21921	0.6
491.20944	1.4
501.22937	1.7
502.23438	0.4
505.21811	0.5
505.25891	1.1
518.23120	0.4
529.22949	0.3
533.25531	13.0
546.22125	0.7
561.25000	20.8
562.25317	0.7
565.27332	0.3
589.24634	0.9
593.27521	3.9
594.27350	0.4
621.27081	100.0
622.27460	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	621.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60971	0.7
53.03945	7.9
55.01868	5.4
55.05513	20.8
57.03437	8.6
57.07077	1.0
59.04988	0.7
59.76501	0.7
65.03931	3.2
67.05165	1.5
67.05508	28.8
69.03085	0.8
69.03426	14.3
69.07070	8.7
71.01342	2.0
71.05001	6.4
77.03896	0.8
79.05099	1.1
79.05492	34.5
81.03419	100.0
81.07059	33.4
83.04978	15.6
83.08627	18.7
85.02908	17.4
85.06545	2.3
85.51671	0.8
85.82944	0.8
87.04476	1.2
91.05485	36.9
93.07047	23.2
95.04353	1.8
95.04968	33.4
95.08612	13.0
97.02891	14.1
97.06541	6.2
97.10162	6.6
98.21119	5.7
99.04470	4.3
99.08128	1.8
103.03986	1.0
103.05498	2.9
105.04556	1.3
105.07035	28.0
106.03012	0.8
107.04953	13.1
107.08604	12.3
109.02883	20.8
109.03580	1.6
109.06528	6.6
109.10170	5.1
110.88956	0.9
111.04443	10.0
111.08076	8.7
111.08633	0.8
113.06017	1.9
113.09756	0.7
115.05482	2.8
117.07033	8.0
119.04957	2.8
119.08581	20.4
121.02856	0.8
121.06496	7.5
121.10141	10.7
123.04418	6.0
123.08092	3.5
123.11726	4.2
125.02364	3.1
125.05988	1.0
125.09631	4.8
127.03905	9.5
128.06247	1.8
129.05542	1.5
129.07016	14.8
129.07906	1.2
130.07239	0.8
131.04976	2.3
131.08585	14.1
133.06497	5.3
133.10144	12.0
135.04408	1.8
135.08083	5.2
135.11708	3.3
137.02461	0.9
137.05989	2.4
137.09666	1.8
141.07008	2.6
142.07793	3.6
143.08542	3.9
145.06531	4.4
145.10132	6.7
147.04414	3.3
147.08049	5.1
147.11685	15.5
149.06006	3.4
149.09648	6.9
151.11156	1.7
153.01872	2.3
153.09123	0.9
153.12804	1.0
155.08582	2.5
157.06549	3.1
157.10126	11.6
159.08105	2.0
159.11737	2.2
161.05995	2.8
161.09651	1.5
163.07397	0.8
163.11198	5.2
165.05542	1.1
165.12775	5.7
167.07074	3.5
167.08495	2.0
169.10220	1.6
171.04411	1.1
171.08124	1.9
171.11705	2.8
173.04514	3.9
173.06001	2.4
173.09650	2.1
175.07587	2.0
175.11145	11.7
177.12781	1.0
181.10141	1.1
181.12248	2.5
185.13388	1.0
187.11201	1.1
189.05505	1.8
189.11266	2.7
189.12802	1.3
191.10725	3.5
193.12247	33.9
194.12541	1.4
195.11755	1.3
197.09828	0.9
199.11273	1.6
203.10828	1.1
203.14272	0.9
205.10365	0.8
205.12219	1.9
207.13770	1.3
211.13298	35.1
213.12825	1.6
215.10736	1.2
217.12311	1.7
223.13316	1.5
227.12570	4.3
231.13895	1.2
235.13344	2.4
237.12778	0.9
249.14859	2.4
255.13863	2.4
259.13373	1.8
265.14352	0.9
267.15924	12.6
273.14874	7.5
283.13196	1.4
285.17072	7.1
289.14337	2.0
291.16055	1.9
301.14383	8.4
303.16095	1.4
319.15445	6.5
337.16534	5.3
349.21930	1.0
355.17459	3.7
363.18109	1.1
375.18225	3.3
385.23846	2.4
393.19125	5.4
403.24854	1.9
411.20419	2.4
459.27460	6.0
477.28430	5.3
482.56699	1.1
495.29529	3.6
501.28812	1.3
567.29089	1.6
573.30414	2.3
585.30676	6.0
596.15436	0.9
603.31689	8.9
621.32782	51.1
622.33252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79997	0.6
67.05510	1.3
69.07045	0.6
69.69209	2.8
79.05518	0.6
81.07068	1.6
86.57881	0.5
91.05511	1.4
93.07025	0.7
95.08626	1.1
98.21146	2.1
105.07026	1.0
209.10757	0.6
210.11780	0.7
249.14233	0.6
284.27002	0.7
389.17542	0.8
402.18475	1.1
403.19208	2.7
404.20282	1.1
405.21066	1.6
416.15955	1.1
417.16351	1.3
417.21655	2.9
418.21756	0.8
419.22412	1.7
429.16599	0.7
429.21597	0.8
430.17831	1.4
431.18170	6.9
432.19077	1.4
433.24512	1.0
437.82205	0.7
443.17966	0.9
444.19495	0.9
445.20145	8.2
446.21027	2.2
447.21991	2.1
459.17346	1.5
459.22180	2.3
460.22876	3.6
461.23495	3.2
473.19791	1.8
474.20251	1.4
475.21060	0.6
487.20871	1.5
488.22015	3.0
489.22675	3.5
501.22824	0.9
505.22412	1.6
515.24164	0.9
518.23529	0.9
519.23865	1.0
523.98346	0.6
533.26184	7.0
549.21399	0.7
561.24988	19.6
562.25519	1.2
589.24597	0.7
593.27722	1.6
621.27081	100.0
622.27155	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.95144	0.3
60.87635	0.4
61.56822	0.3
66.30025	0.3
69.71971	1.0
69.72400	1.1
80.11758	0.3
95.97453	0.3
98.20982	0.9
98.21561	0.5
207.09088	0.4
221.10707	0.4
237.10191	0.4
249.10332	0.5
284.11856	0.4
327.87424	0.3
372.14874	0.4
374.15509	0.4
375.16171	1.4
376.17850	0.5
387.16006	1.0
388.16934	1.3
389.17566	3.4
390.18713	1.8
391.19260	1.1
401.17856	1.0
402.18610	1.3
403.14792	0.7
403.19583	4.0
404.20044	2.4
405.20755	3.0
415.19376	0.9
416.16299	1.3
416.20801	0.5
417.17078	3.4
417.21091	2.3
418.17398	0.9
418.21802	1.1
419.22369	6.5
420.23199	0.5
429.16580	0.4
429.21545	0.4
430.17883	1.1
431.18137	7.1
431.23587	0.6
432.19299	2.9
432.23663	0.3
433.19980	2.8
443.19125	0.6
444.19864	0.7
445.20068	6.3
446.20975	6.8
447.21844	11.5
448.22366	0.7
458.20978	0.6
459.21689	2.0
460.18463	0.5
460.23117	0.5
461.19897	1.3
462.20337	0.4
463.21509	0.4
473.19067	0.8
473.23584	1.1
474.20322	6.5
475.21283	8.0
475.27466	0.7
477.22601	0.5
478.23965	0.4
487.21411	3.7
488.21796	1.0
489.23169	0.4
491.20792	0.9
501.23083	2.1
505.21628	0.4
505.26212	1.1
518.23083	0.6
519.20447	0.7
529.22546	0.7
533.25574	15.6
534.25867	0.7
535.23309	0.4
546.22620	0.5
561.24988	21.9
562.25433	1.2
589.24683	0.8
593.27612	3.8
621.27075	100.0
622.27441	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30236	0.4
57.66186	0.4
69.37473	1.2
69.37890	2.4
92.02380	0.4
98.21468	0.7
144.75238	0.4
150.56017	0.4
151.24112	0.5
195.09146	0.5
219.09225	0.5
221.10701	0.7
272.35693	0.5
372.15033	0.5
373.14825	0.6
374.15244	0.8
375.16132	1.8
387.16141	1.4
388.17053	2.0
389.17566	5.0
390.18304	2.5
391.18973	0.8
401.18008	2.6
402.18500	2.0
403.19366	7.7
404.20108	3.6
405.20532	1.9
415.19379	1.1
416.16324	2.0
416.20499	1.4
417.15927	4.8
417.20889	4.8
418.16977	0.8
418.21713	1.5
419.22397	11.5
429.16949	1.3
430.17850	1.8
431.18152	10.9
431.23383	0.8
432.18954	3.4
433.20248	1.6
441.16864	0.6
443.18555	0.9
444.19647	1.1
445.20151	8.4
446.20868	6.7
447.21832	14.0
448.22574	0.8
453.16595	0.5
458.20895	1.1
459.17480	2.2
459.22006	2.7
460.18246	0.9
461.19492	1.7
473.19562	1.6
474.20398	12.5
475.21298	18.7
476.21594	1.0
477.22208	0.6
486.20477	0.8
487.21399	5.1
488.21844	1.5
489.22995	0.7
490.23318	0.5
491.20206	1.0
501.23102	2.3
502.23444	0.7
505.25403	1.5
517.21857	0.9
518.23401	0.9
529.22394	1.4
533.25513	11.7
546.22437	1.1
561.24951	88.6
562.25262	4.8
589.24487	3.1
593.27588	3.7
621.27063	100.0
622.27307	4.0
631.62604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.5
55.05508	7.3
56.60736	1.9
57.07068	4.3
60.64160	1.8
64.45700	2.1
65.96972	2.5
67.05505	12.3
69.07066	13.5
71.30488	2.8
71.30814	2.5
79.05503	13.5
81.07050	27.3
83.08616	5.1
91.05476	25.7
93.07054	19.9
95.04958	5.5
95.08614	31.4
97.10180	3.2
105.07030	18.2
107.04951	17.9
107.08597	27.1
109.10158	15.7
117.07012	5.0
119.04955	22.0
119.08584	20.3
121.06538	3.0
121.10147	28.4
123.04420	6.4
123.11707	8.3
129.07014	2.8
131.08563	9.5
133.10132	20.3
135.11702	17.9
137.13274	10.4
143.08543	4.7
145.10115	8.5
147.04414	100.0
147.08092	2.3
147.11700	10.9
149.13269	19.7
157.10143	5.5
159.11694	6.7
161.13281	8.3
163.14850	6.0
165.05476	32.0
169.10184	2.8
171.11673	6.7
173.13246	8.5
175.14812	14.5
177.16415	16.1
185.13313	7.3
187.14812	12.5
189.16402	14.2
191.17915	6.4
197.13455	2.8
199.14810	8.0
201.16396	14.1
203.17996	23.1
205.15865	3.3
211.14818	2.8
213.16411	12.3
215.17941	8.9
219.17447	2.9
231.20999	2.5
239.17953	2.8
241.19511	5.6
247.16916	2.6
259.16925	5.4
271.00891	2.5
271.06662	2.7
286.47919	2.9
391.33569	5.0
407.33054	8.9
409.34732	6.9
411.32443	4.1
435.32697	3.4
437.34265	22.4
453.33234	2.6
619.36780	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	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.2
55.79225	2.6
56.29712	2.9
57.07080	16.1
67.05499	9.4
69.03423	2.9
69.07073	7.8
69.85365	11.5
71.08603	2.6
79.05505	9.9
81.07075	12.9
83.08630	7.1
87.04475	100.0
88.04815	16.8
91.05485	17.5
93.07054	11.4
95.04990	4.6
95.08616	16.8
98.98488	4.3
105.07027	14.6
107.08589	13.6
109.10168	9.7
117.07045	2.4
119.04970	14.1
119.08596	17.6
120.44173	2.8
121.06528	4.9
121.10157	9.4
123.11750	4.6
129.06989	3.3
131.08473	3.5
133.10136	9.9
134.15100	2.3
134.32990	2.4
135.11668	4.2
145.10153	10.5
147.04422	42.6
147.11716	10.6
149.13295	4.5
153.01877	3.4
157.10164	3.2
159.11702	7.0
161.13364	5.9
163.11220	2.7
165.05516	7.3
165.08989	3.5
173.13295	4.9
175.14816	5.6
177.16402	5.3
189.16420	11.3
201.16446	7.3
203.17970	13.3
215.17947	9.5
234.19463	3.4
261.18497	5.7
278.22113	3.5
348.19766	2.5
353.18481	2.8
409.34540	3.8
437.34140	16.3
516.42230	2.7
619.43646	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	619.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.5
55.05508	7.3
56.60736	1.9
57.07068	4.3
60.64160	1.8
64.45700	2.1
65.96972	2.5
67.05505	12.3
69.07066	13.5
71.30488	2.8
71.30814	2.5
79.05503	13.5
81.07050	27.3
83.08616	5.1
91.05476	25.7
93.07054	19.9
95.04958	5.5
95.08614	31.4
97.10180	3.2
105.07030	18.2
107.04951	17.9
107.08597	27.1
109.10158	15.7
117.07012	5.0
119.04955	22.0
119.08584	20.3
121.06538	3.0
121.10147	28.4
123.04420	6.4
123.11707	8.3
129.07014	2.8
131.08563	9.5
133.10132	20.3
135.11702	17.9
137.13274	10.4
143.08543	4.7
145.10115	8.5
147.04414	100.0
147.08092	2.3
147.11700	10.9
149.13269	19.7
157.10143	5.5
159.11694	6.7
161.13281	8.3
163.14850	6.0
165.05476	32.0
169.10184	2.8
171.11673	6.7
173.13246	8.5
175.14812	14.5
177.16415	16.1
185.13313	7.3
187.14812	12.5
189.16402	14.2
191.17915	6.4
197.13455	2.8
199.14810	8.0
201.16396	14.1
203.17996	23.1
205.15865	3.3
211.14818	2.8
213.16411	12.3
215.17941	8.9
219.17447	2.9
231.20999	2.5
239.17953	2.8
241.19511	5.6
247.16916	2.6
259.16925	5.4
271.00891	2.5
271.06662	2.7
286.47919	2.9
391.33569	5.0
407.33054	8.9
409.34732	6.9
411.32443	4.1
435.32697	3.4
437.34265	22.4
453.33234	2.6
619.36780	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	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	8.0
57.07069	2.4
60.18442	1.4
61.57328	1.1
65.03912	1.3
67.05509	8.2
69.07076	8.6
70.14841	4.6
79.05508	7.7
81.07067	17.8
83.08624	9.9
87.04479	2.6
91.04944	2.5
91.05476	20.7
91.06004	1.6
93.07050	15.7
95.04986	2.6
95.08604	25.8
97.06541	1.3
97.10177	1.9
98.21148	3.2
105.07031	21.2
107.08597	26.6
109.06508	2.9
109.10160	12.4
113.09728	1.4
117.07041	2.3
119.04954	29.1
119.08580	32.8
121.10149	22.5
123.08097	2.2
123.11720	9.4
128.06229	1.6
129.07045	1.6
131.08571	6.7
133.10144	20.9
135.08105	2.2
135.11696	9.3
137.09637	1.8
137.13263	2.4
142.07814	1.4
143.08603	5.2
143.92519	1.3
145.10133	15.1
147.04416	100.0
147.08080	1.8
147.11700	16.0
149.13266	8.4
151.11163	1.4
153.09119	1.3
157.10150	6.4
158.10858	1.7
159.11725	11.2
161.09552	1.3
161.13287	9.4
163.11250	2.6
163.14856	4.0
165.05482	28.5
165.09145	1.9
171.11668	5.7
173.13275	6.7
175.14821	12.8
177.09125	1.3
177.16383	11.1
177.83527	1.3
183.11719	2.7
185.13287	2.8
187.14819	4.6
189.16391	19.6
191.17921	5.9
193.15970	1.3
197.13289	1.9
197.97437	1.5
199.14854	2.5
201.16380	12.4
203.17966	21.8
205.15897	3.8
207.13857	1.5
207.17502	2.0
211.14847	2.4
213.12737	1.9
213.16411	3.4
215.17960	16.7
217.19426	2.1
221.15437	4.5
222.15746	2.4
229.19482	2.6
233.15599	1.8
235.16948	3.4
243.21124	2.4
247.16922	6.2
253.19637	1.7
255.21150	1.6
261.18564	10.2
275.19946	1.4
287.19910	3.2
288.20291	2.4
299.20102	2.0
313.21942	1.4
315.23318	1.5
352.23984	2.4
353.24359	5.0
365.32019	2.0
391.33630	5.6
409.34769	6.9
411.32361	6.3
437.34167	29.1
438.34717	1.4
445.33862	1.4
538.36517	2.2
539.37079	7.7
602.25531	1.4
603.68195	1.4
619.43781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.7
57.07065	3.9
65.03912	2.0
67.05503	11.6
69.07072	10.2
69.50624	12.8
79.05516	8.4
81.07060	24.9
83.08621	9.9
91.05486	18.3
93.07063	13.9
95.08041	2.8
95.08614	31.5
97.10184	2.8
98.20902	5.1
105.07037	14.8
107.08600	23.6
109.10162	15.3
119.04949	28.6
119.08583	18.6
121.10138	23.0
123.11734	10.2
129.07039	2.6
131.08562	5.7
133.10143	15.9
135.11688	15.9
137.13245	7.8
145.10083	9.1
147.04416	100.0
147.11711	11.8
149.13268	18.0
151.14821	2.1
157.10034	1.9
159.11726	8.1
161.13229	9.1
163.14806	3.8
165.05498	26.9
171.11691	5.7
173.13316	4.0
175.14824	7.0
177.16367	17.3
185.13359	3.9
187.14835	6.0
189.16388	15.7
191.17964	5.5
199.14865	3.1
201.16368	18.6
203.17941	32.3
205.15874	3.2
213.16383	6.5
215.18034	9.2
229.19362	2.1
239.17853	3.1
241.19569	6.2
255.21211	2.6
259.16791	4.1
261.18570	1.9
273.18552	2.1
287.19986	3.6
391.33560	10.3
409.34717	8.2
411.32330	4.6
437.34180	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.3
57.07064	2.7
64.15959	1.5
65.03934	2.3
67.05502	8.6
69.07070	9.0
79.05482	7.4
81.07063	19.2
83.04926	2.1
83.08617	9.2
87.93965	1.9
91.05481	19.3
92.34288	1.9
93.07050	16.0
95.04944	1.9
95.08615	25.7
97.06498	1.7
97.10173	3.4
98.20922	2.1
105.07034	22.3
107.04956	17.8
107.08586	23.0
109.10159	11.8
117.07008	2.3
119.04947	21.6
119.08582	29.1
121.06528	3.0
121.10149	21.2
123.04407	5.9
123.11718	8.4
129.07072	2.8
131.08595	8.4
133.10133	24.2
135.11694	11.1
143.08540	6.0
145.10138	15.9
147.04411	100.0
147.11667	14.1
149.13284	11.5
157.10109	5.2
158.10919	1.8
159.11737	10.7
160.12154	1.7
161.13226	10.6
163.14833	9.6
165.05501	35.6
169.10052	2.8
171.11635	2.9
173.13283	10.3
175.14848	16.7
177.16347	13.5
185.13225	4.6
187.14835	10.4
189.16394	29.5
191.17896	4.8
197.13336	2.3
199.14799	5.2
201.16408	24.9
203.17964	27.2
205.15862	3.8
207.17415	5.1
211.14752	2.1
213.16402	11.5
215.18002	16.0
219.17412	4.9
229.19553	3.6
235.16902	2.6
241.19504	3.2
243.21056	4.0
247.16977	4.6
249.18393	2.2
261.18585	6.5
267.21021	2.2
275.20078	2.0
391.33514	7.1
407.33170	5.7
409.34641	13.3
411.32642	4.4
437.34171	26.5
544.45679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3994
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.28150	0.8
52.53033	0.9
53.03947	0.9
55.05510	4.1
57.07079	2.9
61.85289	0.9
65.03938	2.1
67.05513	6.4
69.07071	6.9
79.05493	5.1
81.07064	11.1
83.08624	7.2
87.04464	2.2
88.02470	0.9
91.05486	18.1
93.07044	11.7
95.04943	1.3
95.08611	23.3
97.10195	2.0
98.20997	5.9
105.07029	14.5
107.08601	16.2
109.10168	9.5
112.64986	0.8
117.06984	1.7
119.04962	23.6
119.08588	25.2
120.25330	0.8
121.10158	15.6
123.11702	6.3
131.08553	4.2
133.10139	14.8
135.11694	9.8
137.13275	3.2
143.08603	2.9
144.09288	1.0
145.10129	10.8
147.04419	100.0
147.11687	12.9
148.04758	1.1
149.13284	9.5
151.11157	1.1
151.14799	0.9
157.10077	1.2
157.24980	0.8
158.10838	1.0
159.11687	8.8
161.13254	7.0
163.14818	6.3
165.05479	27.4
171.11720	1.6
173.13286	4.7
175.14833	12.5
177.16397	12.8
183.11713	1.0
187.14816	5.0
189.16383	22.5
191.17984	4.7
199.14862	1.8
201.16385	22.3
203.16034	1.6
203.17960	31.1
205.15891	1.6
205.19492	1.4
207.17456	5.5
210.25778	0.9
213.16383	7.7
215.17979	17.5
217.19542	2.9
219.17462	1.2
227.17885	1.1
229.19543	1.7
229.75385	1.0
233.10489	0.8
235.16978	2.5
239.57867	0.9
241.19545	3.3
243.21132	2.8
247.16879	4.2
249.18497	2.2
253.19519	1.0
255.21120	1.9
258.59842	0.8
259.16992	3.3
261.18552	5.8
267.21039	1.8
269.22766	1.5
281.22836	1.3
301.21582	1.2
335.27374	1.2
365.32303	1.3
391.33655	6.3
409.34576	10.1
411.32382	5.0
414.66931	0.8
437.34140	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	619.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36156	1.5
51.02374	2.3
53.03947	14.0
55.01871	7.5
55.05510	28.4
57.03428	6.8
57.07059	1.9
58.10029	1.5
59.63081	1.5
62.87843	1.4
65.03944	6.0
66.44696	1.5
67.05506	84.2
69.03432	21.1
69.06730	2.1
69.07072	21.1
71.04982	6.2
77.03950	1.5
78.21060	1.8
79.05495	100.0
80.05750	1.5
81.03421	71.2
81.07059	94.4
83.04987	22.3
83.08616	14.9
85.02894	7.7
85.06548	6.7
91.05485	83.2
93.07047	81.4
95.04968	31.9
95.08606	39.3
97.02901	14.8
97.06547	9.6
97.10177	5.2
98.20943	7.7
99.04459	4.9
103.05486	3.2
105.04538	2.7
105.07032	50.4
107.04956	12.5
107.08597	33.2
109.02896	8.8
109.06509	10.3
109.10165	5.7
111.04459	10.9
111.08078	4.9
115.05443	4.6
117.07027	21.4
119.04935	3.2
119.08583	30.6
121.02851	1.5
121.06530	5.2
121.10146	12.1
123.08075	6.3
123.11715	4.0
127.03912	12.1
128.06232	6.3
129.05513	2.3
129.07010	22.1
131.08569	18.4
133.06514	4.7
133.10133	19.1
135.08031	3.7
135.11693	6.4
141.07016	3.1
143.08533	12.2
145.06485	5.6
145.10107	12.7
147.04401	5.5
147.08044	4.9
147.11691	33.5
148.04817	1.9
149.09590	3.0
149.13246	9.1
154.07811	2.0
155.08600	5.0
156.09387	2.2
157.06516	2.5
157.10158	4.3
159.08124	2.0
159.11696	8.8
161.09634	3.6
161.13228	11.1
163.44046	1.6
165.12732	4.1
167.08495	2.5
169.10107	3.0
171.11707	28.3
173.04478	3.2
175.11174	2.5
177.12772	5.2
183.08069	1.8
183.11642	2.0
185.13416	1.8
187.07567	1.8
189.12762	11.1
191.14342	2.7
195.11855	2.5
195.13823	6.9
199.05984	3.0
207.13779	30.4
213.14833	1.7
223.14825	1.8
243.13948	2.0
249.14946	2.9
257.15222	2.0
262.53445	1.5
267.16077	3.7
269.17624	3.8
273.17163	1.9
281.17484	12.9
287.16431	1.7
293.17648	2.0
297.17099	2.3
303.16058	2.2
305.17490	1.9
308.76398	1.9
321.17148	3.0
331.97839	1.5
339.18015	12.8
351.18024	2.9
383.25595	2.1
389.19321	1.9
395.20627	7.8
407.21106	2.0
457.29623	5.6
475.30664	19.8
601.33228	3.6
619.34729	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1139
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01604	0.3
51.02393	0.6
55.01871	0.4
57.03416	0.3
62.03272	0.2
65.03981	0.2
67.01865	0.2
68.99791	0.4
69.03424	0.7
69.70268	1.3
79.01854	4.6
81.03425	1.0
85.02921	1.3
93.03394	0.3
97.02900	1.6
98.20924	0.5
98.21448	0.2
99.04452	0.3
105.07102	0.3
107.01345	1.3
109.02886	1.2
111.00797	0.6
121.02867	1.1
123.04442	0.3
125.02364	2.8
127.03949	2.1
137.02354	2.5
143.03407	6.4
149.02370	0.4
153.01836	100.0
153.02823	4.4
154.02168	0.9
161.05989	0.3
165.01857	1.7
171.02844	1.0
173.06021	0.3
183.02951	0.7
187.03825	0.3
195.02890	0.8
201.03825	0.3
201.05424	1.3
219.06487	0.3
228.04089	0.3
229.04994	3.2
247.06015	0.6
255.04948	0.3
257.04422	2.2
274.04861	0.7
275.05585	0.3
285.03900	1.2
297.06134	0.9
303.05002	69.0
304.05286	1.2
315.07196	4.5
345.05975	0.7
415.33493	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01865	3.6
55.05512	25.3
55.13557	1.4
57.07080	14.4
59.04999	3.4
65.79952	1.5
67.05507	17.1
67.32652	1.4
69.03429	7.4
69.07057	4.3
69.37795	13.8
71.04987	3.9
79.05499	21.9
80.06287	2.4
81.07059	30.6
83.04974	6.7
83.08624	32.1
85.06544	5.2
87.04471	27.1
91.05487	31.3
92.61074	1.5
93.07051	37.0
94.07371	1.6
95.04973	19.4
95.08612	22.5
97.06548	10.0
97.10204	1.5
98.21021	6.8
99.04424	1.8
103.05462	3.7
104.06259	1.9
105.07037	55.9
107.04958	4.7
107.08598	39.0
109.06536	14.1
109.10149	12.1
111.08089	5.6
113.09657	3.8
115.05431	3.7
117.07014	12.9
119.04920	2.5
119.08588	55.6
120.09395	1.8
121.06532	8.9
121.10149	21.2
123.08075	18.1
123.11755	2.9
124.08900	1.4
124.90807	1.6
125.05978	3.6
125.09658	7.0
128.06227	7.9
129.07011	12.7
130.07777	3.7
131.08575	33.4
132.09398	2.9
133.06494	3.5
133.10135	26.8
135.08046	10.2
135.11728	6.2
137.06029	1.7
137.09619	9.0
139.11195	5.9
141.06990	2.9
142.07785	15.2
143.08571	30.8
144.09381	10.9
145.06458	5.4
145.10130	43.4
146.07249	1.9
147.04404	5.5
147.08047	17.5
147.11710	12.5
149.09576	11.0
151.07504	8.0
151.11157	3.3
153.07019	2.3
155.08563	9.6
155.10674	4.2
156.09358	11.2
157.10144	44.9
158.10913	5.7
159.08072	7.0
159.11697	22.6
160.08905	9.4
161.09619	9.6
161.13255	7.2
162.10406	2.8
163.11235	10.1
165.05559	1.9
165.06966	3.5
165.09128	25.9
167.08565	4.7
167.10710	2.4
168.09352	5.7
168.11568	1.7
169.10135	14.4
170.10904	7.7
171.11685	22.3
172.12434	5.8
173.09642	6.3
173.13246	7.5
175.11226	15.3
175.14824	3.3
177.12732	2.1
178.09929	2.1
179.08595	4.2
179.14278	2.9
180.09378	3.2
180.11502	1.8
181.10114	10.1
181.12215	14.2
182.10963	4.6
183.11685	12.5
184.12428	2.7
185.09685	3.0
185.13284	10.5
187.11183	9.3
187.14824	4.9
189.12766	5.8
190.13564	7.5
191.10646	3.5
191.14340	3.7
192.11488	1.7
193.10146	5.8
193.12228	8.2
194.10938	3.4
195.11769	11.1
195.13554	2.4
196.12505	2.7
197.09479	1.7
197.13277	13.1
198.13974	3.1
199.11203	6.5
200.12068	1.9
201.12807	5.2
203.14326	11.7
203.17940	2.7
207.11739	4.9
207.13837	9.1
208.12691	2.8
208.14627	9.8
209.13335	14.5
209.15181	2.7
210.13968	2.5
211.11176	2.3
211.14845	9.9
213.12733	4.5
213.16293	1.7
215.14412	3.6
217.16087	1.7
219.11789	2.4
219.13824	5.7
220.12416	2.2
221.13248	4.7
221.15355	54.9
223.11339	1.6
223.14787	5.8
224.15562	2.1
225.12804	2.8
225.14613	11.0
227.14354	3.6
231.11682	3.0
231.13814	3.9
233.13318	2.9
233.15283	9.3
234.16148	16.7
235.14784	3.1
237.12662	3.6
237.16545	3.3
239.14207	1.9
239.17844	2.2
245.15398	1.9
247.14825	2.0
247.16908	9.0
249.16570	2.5
251.17947	3.0
253.15923	3.8
255.17407	2.1
259.16940	2.2
261.16122	1.7
261.18646	2.8
263.14230	2.0
263.17868	2.3
268.18018	2.0
269.15472	1.8
269.18851	2.0
271.16965	1.6
273.18527	4.3
274.19220	2.9
279.17371	2.6
285.18744	2.0
286.19327	5.1
287.20068	48.1
297.18732	3.7
299.19980	12.0
303.19699	2.6
309.18524	1.8
310.19046	2.2
311.19983	3.7
312.20847	4.3
313.21588	2.8
319.20752	1.9
320.35577	2.1
325.21619	10.8
329.21109	4.6
337.21564	7.6
339.23132	4.6
352.23987	65.6
352.67126	2.1
353.24527	3.2
365.24850	13.0
367.26505	3.3
395.25684	7.4
438.31042	1.9
446.30051	2.2
472.31964	7.5
475.31448	1.8
520.35492	1.9
524.34375	2.4
525.35840	9.1
526.36029	1.8
538.36560	100.0
539.36743	2.1
584.40399	1.5
600.41144	2.1
618.42767	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.3
53.03948	15.1
55.01870	16.0
55.05255	3.5
55.05513	39.1
56.01276	2.2
57.03435	12.9
59.04990	3.0
65.03936	5.5
67.05505	66.1
68.56416	2.0
69.03438	28.4
69.07063	11.8
70.97189	2.0
71.01355	2.8
71.04982	9.4
71.57409	2.8
79.05050	4.6
79.05495	62.4
81.03419	100.0
81.07061	49.8
83.01324	2.5
83.04987	23.4
83.08633	25.7
85.02921	17.4
85.06570	5.5
91.05484	51.6
93.03386	3.8
93.07046	43.5
95.04971	41.4
95.08617	23.5
97.02902	20.7
97.06535	9.3
97.10173	24.9
99.04453	7.2
103.05463	7.4
105.07030	36.0
105.31263	2.3
107.04955	34.5
107.08604	24.4
109.02884	31.3
109.06509	8.1
109.10146	24.2
111.04412	12.9
111.08076	11.8
115.05456	9.6
117.07018	20.5
119.04950	7.2
119.08582	25.7
121.02860	9.6
121.06506	12.7
121.10146	17.0
123.04443	10.5
123.08058	9.7
124.17931	2.2
125.02374	6.5
125.06013	4.3
125.09679	17.1
125.69430	2.1
127.03920	12.2
128.06241	3.9
129.05542	2.3
129.07013	20.0
131.04941	10.0
131.08575	20.4
133.06512	13.6
133.10123	15.0
135.04350	6.1
135.08018	10.5
135.11743	10.8
137.05984	7.3
137.09615	3.8
141.07010	7.1
142.07826	4.2
143.08553	7.9
145.06482	15.0
145.10107	14.4
147.04422	9.9
147.08060	8.5
147.11726	11.1
149.05934	5.0
149.09622	10.9
149.13370	2.5
151.03891	2.8
151.07526	3.6
153.01869	10.4
153.06950	2.2
153.09073	3.9
153.12790	6.3
155.08565	12.0
157.06496	9.6
157.10138	12.3
159.08083	6.7
159.11630	3.4
161.05998	12.5
161.09605	9.4
163.03946	3.4
163.07590	2.4
163.11163	14.9
165.05560	5.3
165.07031	4.6
165.12825	3.1
167.07063	4.7
167.08484	2.1
169.06479	2.7
169.10143	5.8
171.08083	5.4
171.11655	2.5
173.04468	9.8
173.06015	10.7
173.09645	7.3
173.13130	3.4
174.06699	2.5
175.07570	4.0
175.11197	8.2
179.08620	2.8
181.10178	3.3
181.12247	4.8
183.08150	3.7
183.11682	3.9
185.06010	4.5
185.09734	4.1
187.07596	6.5
187.11252	5.6
189.05537	4.0
189.09418	4.0
189.11224	8.4
189.12743	2.9
191.09148	2.5
191.10608	11.1
193.10480	3.3
193.12239	17.5
197.09608	3.5
199.07600	2.2
201.12759	3.6
203.10757	4.3
205.12247	3.4
207.11873	3.1
209.11664	12.9
211.11427	3.8
211.13281	17.8
213.12852	3.2
215.10709	2.3
219.13922	2.5
227.10725	3.3
227.12646	15.7
229.12234	4.8
229.14343	5.7
231.13977	3.4
237.12767	2.2
243.13956	3.2
247.13257	15.6
255.13814	3.5
259.13364	3.3
267.16003	10.0
271.13254	4.5
273.14874	6.8
283.12851	2.8
283.15530	6.4
285.14435	2.9
285.17136	5.8
289.14471	7.8
301.14087	12.7
303.16107	3.0
311.16431	4.9
317.13803	4.3
319.15442	6.4
345.17075	2.5
357.16995	3.6
365.21002	3.5
375.18167	4.8
383.22144	5.9
407.34702	2.4
445.25974	2.9
457.25830	7.3
475.26926	9.9
481.25424	3.2
491.24646	3.1
493.27838	5.0
499.26743	2.5
543.29907	2.6
555.29547	9.6
562.95667	3.1
573.30347	4.5
583.29089	8.6
589.30194	3.5
601.30121	24.7
619.31079	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10091	0.6
50.30462	0.6
51.02362	1.0
53.03940	2.5
55.01865	1.5
55.05513	1.7
57.03426	1.6
57.07063	0.7
61.15853	0.7
63.68503	0.7
65.03941	1.3
67.05490	4.7
69.03429	5.2
69.07060	1.4
71.03068	1.3
71.04971	0.7
77.03960	0.8
79.01848	2.9
79.05492	2.4
81.03420	9.5
81.07063	3.4
83.01342	2.7
83.04959	1.1
85.02904	3.6
85.06540	0.9
91.05491	3.6
93.07056	5.2
95.04962	4.0
95.08597	3.6
97.02879	6.6
97.06540	1.1
98.21386	0.8
99.04446	1.5
101.77000	0.6
105.07054	3.6
107.01330	2.2
107.04964	2.4
107.08585	2.4
109.02873	5.9
109.06493	1.1
109.10163	2.6
111.04430	1.1
113.03502	0.9
115.05510	0.8
117.07027	0.8
119.04964	4.2
119.08598	2.4
121.06534	1.2
121.10157	2.9
123.04422	5.2
123.08118	0.9
123.11719	0.8
125.02344	3.3
125.06014	0.9
127.03910	8.7
129.06999	0.9
131.08588	1.0
133.06496	1.8
133.10133	2.2
135.04291	0.8
135.08032	1.0
137.05984	2.5
139.03893	2.4
143.03423	6.8
145.04922	1.7
145.06537	1.0
145.10098	1.1
147.04410	14.5
149.02347	0.9
149.09656	1.6
151.03896	1.6
151.07520	0.9
153.01833	100.0
154.02254	0.8
161.06003	1.3
161.09639	1.3
163.03934	3.1
165.01843	4.8
165.09117	1.6
167.07069	5.3
168.07434	2.4
171.02895	12.1
171.04247	1.2
181.04956	49.2
183.02946	3.6
195.02808	1.5
199.06035	9.2
207.06525	1.2
243.06464	0.9
258.38647	0.8
265.17981	1.0
271.06027	1.1
297.06042	11.6
299.05551	4.3
301.10696	55.9
305.06540	0.9
306.59265	0.8
315.07175	3.8
317.06512	3.4
341.06818	1.2
387.13638	0.8
389.15063	0.7
427.12888	0.9
453.15631	0.8
579.17822	0.8
615.23273	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	615.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	3.1
55.05510	2.3
65.03938	9.2
67.05510	4.5
69.03419	2.8
69.07081	4.0
71.01353	1.1
71.57950	0.7
71.58328	0.9
79.01896	0.8
79.05489	3.9
81.03416	3.7
81.07066	7.5
82.04197	1.8
83.04985	1.7
83.08643	1.5
85.02907	3.0
85.06551	2.2
91.05466	5.1
93.03405	3.7
93.07052	6.4
95.01317	1.1
95.04999	5.0
95.08601	6.0
97.02908	1.5
97.06525	2.1
97.10176	1.0
98.21011	1.2
99.04465	1.2
103.05444	2.2
105.03402	0.8
105.07027	3.6
107.04964	2.9
107.08588	2.7
109.02888	1.9
109.06520	1.1
109.10156	4.2
110.03658	7.1
111.04449	9.1
113.02348	1.7
117.07013	1.8
119.04928	1.6
119.08591	3.0
121.02898	5.4
121.06532	1.8
121.10165	3.9
123.04434	3.3
123.08037	0.8
123.11725	2.6
125.05997	10.9
127.03944	1.4
129.06984	1.3
131.04944	2.5
131.08556	1.4
133.02840	2.0
133.06505	1.1
133.10170	2.1
135.04436	1.4
135.11679	2.2
137.05978	7.9
137.09636	1.1
137.13228	1.1
138.03185	1.4
139.03918	1.1
139.07513	0.9
143.03345	1.0
143.08543	1.0
145.06459	1.7
145.10207	0.9
147.04382	2.1
147.08075	0.8
147.11713	1.2
149.01297	0.9
149.02390	2.0
149.05998	1.6
149.09650	1.7
151.03879	1.0
151.07561	3.0
153.01846	20.4
153.05472	19.8
153.06721	0.9
155.07062	1.2
157.06509	1.4
159.08035	2.0
159.11674	1.0
161.05948	2.7
161.09637	3.3
162.06720	1.5
163.03896	0.8
163.07578	2.3
163.14731	0.8
165.05472	3.4
165.06926	1.4
165.09195	1.7
167.07085	9.2
167.08443	1.3
168.07510	1.0
171.02794	0.9
173.06088	1.0
175.07547	3.2
177.05484	2.7
177.09143	1.0
179.07039	0.9
179.10822	0.9
180.07875	1.7
181.04967	22.9
181.06383	1.3
182.07199	0.9
184.05171	0.9
187.07491	0.7
189.09119	2.5
191.07082	6.8
191.08621	1.4
193.04947	1.1
193.08730	1.6
195.06506	0.8
195.08084	2.5
197.09683	1.9
206.07272	0.9
207.06442	1.9
207.10010	0.9
208.07306	2.8
209.06100	1.6
209.08124	3.3
210.06784	2.5
211.07643	2.0
212.08327	1.6
213.09106	1.4
218.89481	0.8
219.10097	1.4
221.05956	1.6
221.07849	1.1
221.09747	1.8
223.07529	3.5
223.11057	1.0
224.08388	1.0
225.07349	5.1
225.09447	1.4
227.07033	2.2
235.07549	1.5
237.05600	0.8
237.09122	2.5
238.06287	2.0
238.09956	1.8
239.06995	2.0
239.10710	1.3
240.07866	7.2
241.08591	1.6
249.09123	2.0
249.11293	1.2
250.09926	0.8
251.06985	2.7
252.07846	2.0
253.08592	12.8
253.12280	5.5
254.09373	3.1
255.06383	1.3
255.10236	4.3
257.08020	1.7
263.10822	0.9
265.08524	1.5
265.25449	1.2
266.05734	1.0
266.09344	2.5
267.06525	1.1
267.10117	3.2
268.07285	1.8
269.08069	3.2
270.08920	1.9
271.13324	1.8
277.08545	1.5
278.09274	1.1
281.08112	4.4
281.11691	3.5
282.08932	2.5
283.06293	1.4
283.09656	6.9
283.26395	1.2
284.10397	2.2
285.07938	0.9
285.11230	3.8
285.14667	1.5
293.08173	1.1
295.09653	3.5
296.10260	1.5
297.11224	1.5
298.11948	1.5
299.09488	1.4
299.12704	6.4
300.10034	1.0
309.11191	7.0
310.12009	2.3
311.09146	1.3
313.10657	8.0
313.14328	3.6
315.07001	1.6
316.12943	0.8
327.12280	26.3
328.12906	3.1
329.13681	1.1
331.15305	2.6
339.12299	1.1
341.13800	3.5
357.13443	2.1
359.14902	100.0
360.15280	2.6
361.16449	1.0
371.14948	5.7
372.15524	1.1
381.25580	0.9
389.15845	4.2
503.16843	1.5
615.23138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0774
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01592	0.5
51.02380	1.2
53.00317	0.2
53.03945	0.2
55.01860	0.3
67.48422	0.2
69.03442	1.0
70.00024	0.7
70.00368	0.3
79.01854	6.3
81.03419	1.2
83.01355	0.2
85.02892	0.7
87.00833	0.2
97.02893	1.6
98.20881	0.4
98.21468	0.2
99.04431	0.3
103.05477	0.3
107.01339	1.2
109.02889	1.2
111.04437	0.2
123.00764	0.3
125.02359	4.1
127.03912	4.3
131.04922	0.4
143.03409	7.5
145.04965	0.9
146.06026	0.2
147.04375	0.4
149.11835	0.2
153.01834	100.0
153.02852	4.9
154.02162	0.9
157.02901	0.2
159.04436	0.2
163.03926	0.5
171.02992	0.3
173.02235	0.3
175.03918	0.5
179.03391	0.5
185.02380	0.4
187.03888	1.1
191.03442	0.5
195.02859	0.3
199.03943	0.4
201.01843	0.6
203.03386	0.9
205.04973	0.4
207.02887	0.4
213.01817	0.8
215.03371	0.9
219.02859	0.3
227.03412	0.3
229.01445	0.6
231.02892	4.4
233.04459	0.9
241.01340	0.9
242.59871	0.2
243.03008	0.3
247.02405	1.0
255.02800	0.3
255.77454	0.2
257.00891	0.9
259.02396	7.2
261.03998	0.7
268.23505	0.2
273.03940	0.3
275.01895	2.5
276.02719	0.6
277.03442	20.7
278.03690	0.3
279.05038	0.3
283.02289	0.2
285.00330	0.7
297.06042	0.6
299.01715	0.9
301.03522	0.7
303.01352	12.3
315.06985	0.3
321.02487	0.5
327.01642	0.3
345.02414	3.4
363.03653	0.3
429.04639	0.2
447.05682	0.3
617.07520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02388	1.0
52.96926	0.6
53.03952	1.1
54.21926	0.5
55.01854	1.1
56.82352	0.5
57.03424	1.5
62.39338	0.5
69.03429	5.1
71.04986	1.2
71.56919	1.1
79.01854	6.8
81.03418	8.5
84.11166	0.5
85.02911	31.9
88.71543	0.5
97.02888	4.2
97.72219	0.5
99.04441	2.1
101.02377	3.3
103.00109	0.5
103.05454	0.7
107.01337	3.1
109.02879	6.5
111.04453	0.5
121.02890	0.8
123.04418	1.6
125.02357	5.3
127.03924	10.1
131.04921	0.7
133.02902	1.6
137.02393	0.5
139.03944	1.6
143.03392	7.8
145.02980	0.9
145.04971	4.4
147.04413	1.3
151.03937	0.6
153.01837	100.0
153.02867	4.6
159.04375	1.1
163.03894	1.7
165.01859	1.0
167.03421	2.2
169.04755	0.6
171.02921	8.9
171.04402	1.5
173.02335	0.9
175.03920	1.3
177.01889	1.8
177.05437	1.2
179.03410	0.9
181.01306	2.7
187.03976	1.6
191.03429	2.2
195.02870	5.4
199.03972	1.2
201.01862	1.8
203.03432	1.6
205.04976	1.6
207.02948	1.9
213.01842	1.0
215.03484	2.1
217.01375	0.6
219.02922	2.6
223.02528	0.6
225.07954	0.5
227.03413	1.0
229.01375	2.7
231.02924	3.5
233.04436	2.0
236.55180	0.6
237.03955	2.1
243.02928	1.7
245.04601	0.5
247.02415	2.6
249.04083	1.5
255.02867	2.0
255.04965	1.3
257.00836	4.6
259.02423	5.5
261.04028	2.2
271.02377	2.1
273.03928	1.3
275.01880	4.9
277.03442	12.4
279.04984	2.5
283.02429	0.8
285.00363	4.1
289.03351	1.5
297.06226	2.9
299.01797	3.6
301.03543	4.0
303.01361	55.3
304.01642	0.9
305.03015	0.6
315.01202	1.6
321.02719	0.6
327.01410	2.2
331.00818	0.9
339.04971	0.9
345.02432	13.8
367.04694	0.7
385.05173	1.1
411.03372	0.7
430.47345	0.7
441.21497	0.5
465.06662	0.8
600.69232	0.6
617.07343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	2.6
55.01865	2.0
55.05261	1.1
55.05514	17.2
57.03443	5.7
57.07082	2.9
61.34313	0.9
65.03929	1.8
67.05509	43.6
69.07072	17.5
69.57455	6.0
70.03219	0.9
71.04988	2.1
71.08619	1.1
79.05495	28.8
81.07063	51.7
82.87838	0.8
83.04984	1.5
83.08628	8.8
85.06535	1.1
91.05479	22.5
93.07049	33.6
93.07629	2.0
95.04973	3.1
95.08614	43.7
97.06534	3.2
97.10179	6.0
99.08041	1.3
102.27807	0.9
104.01362	0.8
105.07038	26.0
105.07745	1.3
107.08599	20.7
109.10166	21.4
111.08078	0.9
111.11738	1.5
113.09670	1.1
117.07018	9.1
119.08594	22.0
121.10152	16.0
123.11708	8.1
125.09644	0.9
128.06207	1.1
129.06990	4.3
131.08575	16.5
133.10138	18.5
133.11076	1.3
135.11691	12.7
137.09590	1.0
137.13263	3.6
139.11191	1.5
141.07002	1.3
143.08600	4.9
145.10130	14.4
147.11687	14.6
149.13278	8.0
151.11356	0.9
151.14777	1.1
155.08595	2.3
157.10181	6.0
159.11713	11.1
161.13271	10.0
163.14839	4.1
169.10155	2.1
171.11668	5.3
173.13252	9.2
175.11424	0.9
175.14836	6.1
177.16406	1.5
179.14362	1.8
181.10207	0.9
183.11777	1.3
185.13277	5.3
187.14883	6.9
189.16371	1.6
197.13353	1.7
199.14836	4.2
201.16359	2.0
203.18031	1.1
211.14923	1.7
213.16479	1.1
215.18011	2.4
217.19452	0.8
223.14877	0.9
225.16415	0.9
227.18100	1.1
229.19609	1.7
231.21141	2.1
241.19630	1.6
243.21140	2.2
247.20767	1.5
257.18869	0.9
259.20633	6.8
261.22168	10.1
263.23691	1.5
270.60117	1.0
273.22198	1.0
275.23807	1.1
277.21664	2.5
279.23245	1.2
287.23724	1.5
299.23785	1.6
305.24725	1.1
315.23279	1.0
315.26981	1.5
327.26898	1.4
329.14603	1.0
333.24091	4.6
335.25830	15.5
337.27469	8.3
346.34958	1.0
353.28842	1.3
489.36096	1.5
503.37112	2.1
521.43939	4.5
529.39148	1.1
539.44672	2.9
543.40863	1.4
577.45844	1.1
595.47253	11.8
605.90851	1.3
613.48303	100.0
614.48779	3.9
622.71149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
55.01862	7.2
55.05508	34.3
56.73993	3.9
57.03432	22.2
57.07064	6.7
65.03928	8.4
67.05505	78.9
69.03424	4.4
69.07080	18.7
69.81281	18.8
70.06592	9.1
71.04981	5.0
71.08643	23.0
75.95913	3.3
79.05493	68.4
81.03423	62.0
81.07062	100.0
83.04988	30.6
83.08627	36.7
85.02906	23.3
85.06544	6.1
91.05477	77.3
92.98686	3.6
93.07047	71.8
95.04975	43.2
95.08609	38.9
97.06540	15.9
97.10171	8.5
98.21259	7.4
99.08078	18.3
105.03415	9.7
105.07029	41.4
107.04970	8.8
107.08591	22.7
109.06541	6.0
109.10162	15.2
110.35301	3.4
111.08096	14.4
117.07045	11.2
119.08573	38.7
119.97498	4.2
121.10110	19.8
125.09603	4.7
129.06979	16.9
129.32423	3.7
131.08545	23.1
133.06509	8.5
133.10118	26.1
135.08125	7.8
135.11679	8.6
145.10121	4.9
146.11742	5.0
147.11678	24.0
149.02361	15.3
149.05972	48.5
149.13272	17.1
151.11188	23.5
157.10149	18.1
159.11710	7.7
161.13245	5.0
163.11179	11.9
165.12778	6.2
171.11572	4.4
175.11205	13.5
176.81664	3.7
179.14262	3.9
182.13588	3.4
193.04944	8.6
193.12242	56.7
195.11784	3.9
195.13612	6.4
204.36406	3.8
211.11351	5.6
211.13293	70.9
227.12791	5.0
241.19498	6.8
242.04486	3.8
259.20691	9.5
267.15958	31.2
269.17429	28.7
277.21649	18.2
285.16959	51.5
297.07700	6.9
300.29175	19.1
320.89578	3.6
325.90747	3.5
333.24301	3.6
341.10229	49.6
351.25604	19.4
387.25143	3.3
445.55182	3.8
461.28983	22.2
479.30063	94.9
561.37628	15.8
614.36871	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02378	0.7
53.03939	2.7
53.35806	0.8
55.01866	1.4
55.05511	17.3
57.03441	5.0
57.07070	3.2
61.20012	0.8
61.94533	0.8
64.62620	0.9
65.03947	3.1
67.05507	52.9
69.07074	19.5
70.76796	2.5
71.04998	1.4
71.08628	1.5
78.26129	0.8
79.05495	31.4
81.07058	57.1
83.04970	1.1
83.08624	10.7
85.06533	2.2
87.12920	0.7
87.99972	0.9
91.05482	24.5
93.07049	39.7
95.04986	4.3
95.08609	46.7
97.06532	3.2
97.10172	5.3
98.20952	1.0
99.08063	1.3
103.05486	0.8
105.07033	27.2
107.07865	1.5
107.08593	24.5
107.09286	1.5
109.06528	0.9
109.10160	24.7
111.08094	1.1
111.11726	1.6
117.07008	12.0
119.08585	22.6
121.10143	20.8
123.08050	1.2
123.11721	9.7
125.09660	0.8
128.06262	1.3
129.07016	4.5
130.07761	0.8
130.35405	0.8
131.08569	19.8
131.09512	1.3
133.10123	20.0
135.11687	14.3
137.09642	1.0
137.13269	3.7
141.07013	1.7
143.08565	6.7
144.09427	1.0
145.10133	16.6
147.11691	15.2
149.09712	0.8
149.13266	8.4
151.11186	0.9
151.14880	1.6
155.08551	2.1
157.10139	7.9
159.11693	16.4
161.13245	9.6
163.11160	1.2
163.14819	5.0
169.10161	2.9
171.11717	5.9
173.13255	11.0
175.14847	6.1
177.16422	1.8
181.10091	0.9
183.11746	2.5
185.13271	5.5
187.14838	6.8
189.16434	2.6
191.18123	0.7
195.11699	1.2
197.13327	2.2
199.14857	3.6
201.16399	1.9
203.18034	1.7
211.14909	2.2
213.16458	3.0
215.18013	1.9
217.19592	1.9
225.16382	1.1
227.18079	1.3
229.19467	1.7
231.21130	2.0
239.18057	0.9
241.19661	4.9
243.21149	2.5
247.20578	1.1
259.20560	10.6
261.22147	10.7
263.23849	1.0
279.23218	1.1
285.22079	1.0
287.23657	1.6
299.23810	1.7
313.25247	1.7
315.23233	1.0
315.26791	0.8
317.24777	2.4
327.26849	1.0
333.24207	5.9
335.25793	16.9
337.27328	10.1
341.28424	1.5
349.27530	1.0
355.30267	1.9
369.31686	1.0
415.32468	1.0
475.34961	1.0
489.36035	1.7
503.36960	1.6
517.38928	1.0
521.43469	5.4
529.39044	1.7
539.44592	3.6
543.40063	1.0
570.85498	1.0
595.47186	12.8
613.48254	100.0
614.48669	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	613.1397
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
51.99445	0.3
53.03926	0.4
55.01847	0.3
57.03417	0.7
61.02896	1.3
69.03383	1.3
71.01321	0.5
71.04990	0.4
71.05563	0.4
71.05873	0.4
73.02922	9.1
78.04290	0.3
83.04974	0.5
85.02911	1.7
97.02863	1.1
98.20889	0.4
109.02824	0.5
111.04456	0.4
115.03938	0.7
121.02821	0.9
123.04426	0.8
125.02287	0.4
137.02339	3.3
141.01753	0.3
149.02319	0.4
153.01834	1.6
160.92346	0.3
163.07243	0.3
169.01335	5.0
171.02957	0.5
171.04338	0.6
175.03896	0.5
181.01276	1.5
185.00826	0.4
199.03902	0.8
199.72702	0.3
203.03255	0.4
217.04948	1.2
243.54980	0.3
245.04433	2.7
255.03061	0.4
263.05511	0.8
264.86111	0.4
273.03931	2.6
290.04214	0.7
301.03436	1.3
319.04486	100.0
320.04837	1.5
335.03995	1.6
377.05173	1.2
401.05396	0.4
445.07568	0.5
451.12375	1.0
481.09784	42.9
482.10150	0.6
526.62585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03949	3.5
55.01875	1.0
55.05513	4.0
57.03439	1.4
57.07064	0.5
65.03947	1.3
67.05505	5.0
68.99801	0.6
69.03114	0.4
69.03432	2.3
69.03770	0.4
69.07059	1.6
70.32004	1.6
71.04991	1.1
76.47762	0.4
79.05495	29.9
80.05856	0.4
81.03414	3.6
81.07058	5.4
83.05025	1.0
83.08625	0.4
85.02907	2.5
85.06548	0.6
91.05479	12.1
93.07047	55.2
94.07390	0.8
95.04977	5.1
95.08611	2.8
96.48227	0.5
97.02901	1.8
97.06572	0.5
97.10154	0.5
99.04449	0.9
103.05466	0.7
105.04543	1.1
105.07034	6.1
105.79337	0.4
107.04991	0.6
107.08598	27.5
109.02892	1.7
109.06547	0.9
109.10178	2.0
111.00822	1.0
111.08074	0.6
113.02221	0.4
117.07011	0.8
119.08586	2.4
121.02859	1.4
121.06521	0.8
121.10143	41.4
122.10457	0.5
123.04425	1.3
123.08072	1.2
123.11720	0.6
125.06017	0.8
125.09676	0.9
127.03926	1.3
129.06998	0.7
131.08554	2.3
133.06525	0.6
133.10138	1.8
135.11665	1.2
135.77913	0.4
137.02365	3.6
137.05988	1.2
137.09628	0.6
139.07523	1.1
139.11205	0.8
143.08621	0.4
145.06461	0.5
145.10120	1.2
147.04443	0.8
147.11707	0.9
149.09590	3.0
149.13229	0.5
151.03870	0.4
153.01825	5.3
153.09058	0.5
159.11624	0.8
161.09665	0.7
163.03918	0.6
163.11206	0.6
165.01830	2.5
167.07001	3.1
167.10669	0.9
173.05997	1.2
181.05008	1.3
181.12231	1.0
183.02925	0.7
191.07123	0.7
191.10703	0.7
201.05447	2.2
207.13901	0.6
211.13350	0.6
219.06613	0.5
229.04955	5.2
257.04489	3.2
274.04733	1.0
275.05777	0.5
285.03955	1.3
293.13849	1.0
303.04996	100.0
304.05316	2.1
311.14844	5.2
315.04877	1.0
345.05984	1.1
369.05823	0.7
415.32043	2.6
433.33472	2.3
451.33954	0.7
473.28674	0.5
477.03165	0.4
613.22559	0.8
613.33386	2.2
625.72662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2281
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
53.03931	0.9
55.01867	0.5
55.05483	0.3
57.07045	0.3
65.03642	0.3
65.03935	2.1
66.04721	0.3
67.05509	1.4
69.03414	1.0
69.07043	0.3
69.49436	1.8
69.49854	0.6
78.04710	3.0
79.05493	2.2
81.03403	0.5
81.07047	1.3
82.04192	0.7
83.04929	0.5
85.02911	1.6
85.06517	0.4
91.05482	4.3
92.55653	0.3
93.03398	1.0
93.07050	0.6
94.78970	0.3
95.04964	2.0
95.08585	0.6
96.05755	0.5
97.02898	0.4
97.06532	0.8
97.43444	0.3
98.10567	0.3
98.20837	0.6
98.21480	0.7
102.04666	0.4
103.05476	2.2
105.03379	0.5
105.04532	0.4
105.07021	0.8
106.04160	1.4
107.04958	3.1
107.08559	0.4
109.02892	0.4
109.06554	0.4
109.10149	0.4
110.03664	1.3
111.04447	1.1
114.17490	0.3
115.05462	5.0
116.06279	0.3
117.06205	0.5
117.07024	8.7
118.48369	0.3
119.04953	3.5
119.08581	0.6
121.02904	0.3
121.04002	0.3
121.06454	0.3
121.10130	0.5
122.03675	0.5
123.00721	0.3
123.04437	7.3
124.05234	3.3
125.06013	1.7
127.05502	1.5
131.04922	0.6
132.05710	0.4
133.02890	0.6
134.03636	0.4
135.04402	0.6
137.02313	0.4
137.05984	5.5
138.03094	0.6
139.03960	0.4
139.07578	0.4
142.02650	1.0
143.04881	0.9
144.05663	0.4
145.06491	13.4
147.04413	5.6
147.08043	0.4
148.04944	0.4
149.05992	0.4
151.03891	2.6
151.07558	1.0
151.15158	0.4
152.04640	2.1
153.01857	1.1
153.05470	2.7
155.04851	0.6
155.06049	4.9
155.07265	0.4
157.06421	0.4
160.05215	0.7
161.05951	0.9
162.06654	0.4
163.03909	1.1
163.07594	0.6
165.05449	1.1
167.07047	100.0
168.07405	1.6
171.06538	1.3
173.05994	22.4
175.07570	0.9
177.05476	0.8
179.06960	1.8
181.04962	31.6
182.05301	0.6
189.05524	0.5
191.07013	1.7
193.08600	0.4
201.05489	0.8
203.07039	1.2
205.08620	4.7
207.06410	0.4
207.10022	0.4
209.08087	0.4
219.06630	0.5
221.08186	0.3
231.06616	0.9
233.08102	6.1
234.72899	0.3
235.07446	0.6
235.09642	4.4
250.06317	0.4
265.08771	0.5
282.08844	0.3
297.11249	0.6
299.09195	0.5
303.05020	0.7
310.08264	0.4
311.09464	0.3
325.10690	0.8
326.11551	0.6
353.10248	0.4
355.11627	0.4
357.13251	2.8
385.12814	18.7
386.13577	0.5
387.14404	5.9
411.14481	0.4
417.15451	10.8
435.27338	0.3
515.17450	0.4
583.21588	2.8
613.22809	40.7
614.23346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01858	0.7
55.05494	0.5
56.59086	0.5
60.33954	0.4
60.64582	0.5
65.03936	2.5
67.05481	1.3
69.03413	0.8
69.07079	0.6
69.39788	3.4
78.04720	3.0
79.05502	2.3
81.03398	0.6
81.07050	1.3
82.04190	0.9
83.04994	0.6
85.02904	2.0
91.04939	0.6
91.05476	5.8
93.03372	0.8
93.07027	0.8
95.04938	1.5
95.08584	0.6
97.02892	0.4
97.06545	0.7
98.20990	1.8
98.21565	0.6
103.05454	1.5
103.74622	0.5
105.07021	1.0
106.04161	1.7
107.04963	2.6
109.06540	0.7
110.03662	1.4
110.36072	0.4
111.04454	0.9
115.05454	5.6
117.06207	0.6
117.07018	9.4
119.04945	5.7
119.08556	0.9
120.05275	0.8
121.02852	0.8
121.06522	0.6
121.10130	0.6
122.03590	1.0
123.04436	8.7
124.05214	2.4
125.05975	1.2
127.05424	1.7
129.06989	0.5
131.04921	0.9
131.08617	0.5
133.06454	0.8
133.10135	0.5
134.03699	0.6
135.04422	0.9
137.02307	0.5
137.05975	6.7
142.02650	0.7
143.04907	1.0
144.05688	1.0
145.06490	14.8
147.04414	13.2
147.08086	0.7
148.04758	2.9
149.04964	0.6
149.13332	0.4
151.03923	2.4
151.07533	0.9
152.04701	2.9
153.01828	1.8
153.05550	2.5
155.04857	0.6
155.06039	4.5
155.07187	0.7
161.05975	1.4
163.03990	0.7
165.05467	0.8
167.07040	100.0
168.07382	1.0
171.06543	1.5
173.05988	19.9
175.03806	0.4
175.07587	1.1
177.05531	0.5
179.07063	2.3
181.04958	31.7
201.05548	0.8
203.07063	1.2
205.08624	5.8
219.06560	0.9
231.06650	0.9
233.08073	5.4
235.09628	4.6
237.09216	0.5
273.24704	0.4
299.09064	1.1
303.05130	1.3
304.05411	1.3
305.05569	1.6
310.08438	0.6
323.09216	0.4
325.10760	0.8
357.13272	3.6
385.12817	20.1
386.13425	0.8
387.14380	7.5
411.14713	0.5
417.15448	14.6
487.62701	0.5
583.21619	2.4
613.22772	39.8
614.23230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01868	10.4
55.05510	43.3
57.03439	20.5
57.07079	3.6
61.19130	3.2
65.03941	5.6
67.05501	97.9
68.05835	3.5
69.03429	8.8
69.07066	32.2
70.06573	4.0
71.04985	7.6
71.57832	3.5
73.04755	3.4
79.05494	75.0
80.69122	2.8
81.03423	64.8
81.03901	3.7
81.07057	100.0
83.04980	29.5
83.08615	31.2
85.02916	26.9
85.06532	7.3
88.07626	3.9
91.05476	81.0
93.07043	74.6
95.04970	35.9
95.08607	36.3
97.02890	3.3
97.06539	23.9
97.10156	5.4
98.21062	4.5
98.78812	2.8
105.07027	60.4
107.04948	15.9
107.08595	38.9
109.06535	9.8
109.10168	13.0
111.04435	3.8
111.08059	14.0
113.05968	3.8
117.07016	15.2
119.08591	50.2
121.06553	4.2
121.10133	24.9
123.08057	7.2
123.11726	5.0
125.09614	5.9
129.06987	21.4
131.08568	26.8
133.06476	5.8
133.10127	34.9
135.08037	5.8
135.11708	13.4
137.09583	6.3
143.08545	5.2
145.10133	15.1
147.04442	6.5
147.08049	3.9
147.11685	30.1
149.09633	18.7
149.13258	13.2
151.11104	3.2
157.10091	18.6
159.11711	13.7
163.11180	9.6
165.12819	7.2
169.10098	3.2
171.11809	4.3
173.13289	7.4
175.11244	16.7
183.11685	3.5
187.14737	3.2
191.07004	7.1
193.12228	51.5
195.13815	5.1
211.13293	79.7
211.28131	2.9
212.13580	3.8
227.12595	3.2
249.14786	3.4
255.16031	13.3
256.26300	4.4
257.19012	6.8
267.15872	25.5
269.17520	19.2
275.20062	33.3
285.16983	63.0
301.55307	3.1
349.23691	18.3
351.69803	3.0
367.24890	3.2
383.11234	4.5
411.10443	3.2
440.27408	3.7
447.27335	7.3
461.28992	13.0
465.28418	15.2
479.30136	63.4
559.36169	14.0
589.31512	3.5
612.35602	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01868	10.4
55.05510	43.3
57.03439	20.5
57.07079	3.6
61.19130	3.2
65.03941	5.6
67.05501	97.9
68.05835	3.5
69.03429	8.8
69.07066	32.2
70.06573	4.0
71.04985	7.6
71.57832	3.5
73.04755	3.4
79.05494	75.0
80.69122	2.8
81.03423	64.8
81.03901	3.7
81.07057	100.0
83.04980	29.5
83.08615	31.2
85.02916	26.9
85.06532	7.3
88.07626	3.9
91.05476	81.0
93.07043	74.6
95.04970	35.9
95.08607	36.3
97.02890	3.3
97.06539	23.9
97.10156	5.4
98.21062	4.5
98.78812	2.8
105.07027	60.4
107.04948	15.9
107.08595	38.9
109.06535	9.8
109.10168	13.0
111.04435	3.8
111.08059	14.0
113.05968	3.8
117.07016	15.2
119.08591	50.2
121.06553	4.2
121.10133	24.9
123.08057	7.2
123.11726	5.0
125.09614	5.9
129.06987	21.4
131.08568	26.8
133.06476	5.8
133.10127	34.9
135.08037	5.8
135.11708	13.4
137.09583	6.3
143.08545	5.2
145.10133	15.1
147.04442	6.5
147.08049	3.9
147.11685	30.1
149.09633	18.7
149.13258	13.2
151.11104	3.2
157.10091	18.6
159.11711	13.7
163.11180	9.6
165.12819	7.2
169.10098	3.2
171.11809	4.3
173.13289	7.4
175.11244	16.7
183.11685	3.5
187.14737	3.2
191.07004	7.1
193.12228	51.5
195.13815	5.1
211.13293	79.7
211.28131	2.9
212.13580	3.8
227.12595	3.2
249.14786	3.4
255.16031	13.3
256.26300	4.4
257.19012	6.8
267.15872	25.5
269.17520	19.2
275.20062	33.3
285.16983	63.0
301.55307	3.1
349.23691	18.3
351.69803	3.0
367.24890	3.2
383.11234	4.5
411.10443	3.2
440.27408	3.7
447.27335	7.3
461.28992	13.0
465.28418	15.2
479.30136	63.4
559.36169	14.0
589.31512	3.5
612.35602	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.1
55.05502	6.8
65.03939	3.3
67.05170	2.7
67.05511	29.7
68.48630	2.2
69.07064	8.0
69.95586	2.3
71.50549	4.8
71.50974	2.7
73.04758	2.8
79.05494	16.8
81.07068	26.6
83.01360	2.8
83.04995	2.9
83.08641	3.7
91.05409	14.4
93.07050	17.4
95.04958	3.7
95.08622	17.5
98.20985	2.7
105.07051	14.6
107.04936	4.8
107.08578	8.8
109.06507	4.2
109.10188	11.9
115.05408	4.2
117.07057	3.1
119.04935	5.9
119.08564	7.5
121.06543	4.1
121.10152	7.9
122.03622	3.6
123.08079	2.4
123.11710	5.0
129.07010	3.1
130.12538	2.2
131.08588	4.5
133.06473	7.0
133.10114	8.1
135.11728	5.9
137.05988	100.0
145.10133	5.1
147.04419	6.4
147.08058	2.3
147.11668	2.5
149.13228	3.8
151.07571	8.5
153.05446	4.9
154.06305	3.2
159.11662	5.3
161.05981	3.8
163.03937	4.4
165.05472	2.4
165.09102	2.6
167.07059	8.9
175.07489	3.3
175.14734	2.5
177.05484	7.0
178.06201	5.8
179.07057	21.4
179.14545	2.5
181.08656	5.2
191.07033	16.5
192.07307	3.6
193.08617	14.2
194.09360	3.1
205.04993	18.4
207.06544	5.1
211.09669	83.2
217.08446	3.8
223.05998	3.0
239.09540	2.6
243.20912	2.4
259.20816	4.0
261.22253	14.6
297.11047	2.9
333.13202	7.9
355.07184	3.6
356.07098	2.6
359.11276	3.8
419.99756	2.4
429.33475	3.8
439.28195	4.1
593.34705	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.70359	1.7
55.01874	2.2
55.05508	16.8
56.74117	1.5
57.03435	3.1
57.07070	4.6
57.91469	1.8
58.19909	1.5
62.81262	1.6
65.03931	2.8
67.05503	45.1
69.07067	17.7
71.08636	2.3
79.05491	28.0
81.03400	2.2
81.07056	41.6
83.04983	2.4
83.08613	9.1
85.06522	1.8
91.05461	31.4
93.07050	33.2
95.04965	2.3
95.08615	36.6
95.09223	1.9
97.06512	2.4
97.10186	3.5
98.20757	5.8
98.21472	5.7
105.07034	28.7
107.04877	1.9
107.08591	18.7
109.10155	16.5
117.07009	12.7
119.04962	3.4
119.08573	25.1
121.10139	15.5
123.11719	5.5
129.06995	11.1
130.07716	2.3
131.08574	20.9
133.10130	22.8
135.11716	10.5
141.07001	2.8
142.07782	3.0
143.08562	14.8
145.10114	19.0
147.04388	13.8
147.11682	19.0
148.04753	9.2
149.04965	2.5
149.13310	4.2
153.83049	2.0
155.08580	6.5
157.10149	15.7
159.11655	13.9
161.13277	8.6
163.14819	2.7
167.07130	3.6
167.08514	2.8
169.10103	8.5
171.11693	11.1
173.12006	2.3
173.13251	11.4
175.14856	5.8
181.10150	3.3
183.11739	6.8
185.13257	10.7
187.14906	5.8
195.11737	3.1
197.13277	6.0
199.14838	7.4
201.16451	3.5
211.14827	3.7
213.16435	3.0
229.19725	2.7
239.18079	2.1
241.19624	6.8
243.21104	2.0
257.19049	4.7
259.20551	15.1
261.22211	4.8
275.20401	2.3
285.22543	1.7
297.22205	2.1
311.23923	2.2
333.24173	10.3
335.25818	12.2
353.28394	2.2
356.06735	2.3
449.34171	1.9
519.42023	6.7
537.42700	3.5
541.38354	1.8
551.25714	2.9
593.45715	7.9
611.27887	10.7
611.46735	100.0
612.46948	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04101	0.8
53.03945	3.1
55.01870	1.8
55.05516	18.8
57.03444	4.5
57.07080	3.6
59.74886	0.9
65.03943	3.5
67.05510	51.2
68.00417	0.8
69.07073	18.7
69.70084	3.6
69.70497	2.1
71.04991	2.2
73.85435	0.8
79.05499	38.1
81.07063	52.6
83.04997	1.1
83.08633	8.7
85.06545	2.4
85.10172	1.0
91.05066	0.6
91.05483	37.8
93.07050	46.9
95.04965	5.1
95.08615	42.2
95.09233	2.1
97.06555	2.9
97.10178	4.8
98.21326	2.1
99.08122	2.1
103.05476	1.3
105.04541	1.7
105.07037	38.4
107.08604	24.3
109.06517	1.9
109.10165	18.1
111.08125	2.1
111.11702	1.0
115.05470	2.0
116.06291	0.9
117.07027	15.6
119.08586	32.3
121.10149	19.0
123.08092	2.6
123.11725	5.6
128.06256	2.6
129.07019	9.8
130.07828	1.4
131.08574	25.2
133.10141	23.1
135.08145	1.0
135.11710	13.4
137.09654	2.1
137.13260	1.7
139.11194	1.4
141.07013	3.5
142.07776	2.2
143.08568	14.1
145.10136	24.6
147.11694	19.5
149.13275	7.4
152.13998	0.9
155.08569	5.4
156.09331	1.4
157.10123	13.3
159.11700	17.1
161.13293	12.4
163.14873	3.2
167.08629	2.0
168.09309	1.1
169.10138	8.3
170.10831	1.5
171.11697	13.6
173.13257	11.5
175.14839	5.8
181.10139	2.8
183.11679	6.3
185.13266	12.0
187.14816	5.1
189.16394	2.4
191.14355	1.1
195.11821	2.0
197.13327	5.2
199.14842	8.5
201.16449	3.5
203.14307	0.9
207.11644	1.3
209.13327	3.0
211.14908	4.0
213.16479	3.8
215.18042	2.9
217.19412	1.0
223.14868	2.2
225.16435	2.0
227.18053	2.1
229.19614	3.4
231.21193	2.1
237.16444	1.4
239.17992	2.0
241.19577	10.6
243.21132	2.4
247.20644	1.0
249.16507	1.2
257.19016	4.3
259.20572	21.0
261.22089	4.6
271.20746	1.7
275.20123	1.1
283.20551	1.4
285.22195	1.6
297.22064	1.8
299.23929	1.0
315.23355	2.3
331.22726	1.8
333.24265	11.0
335.25821	19.4
337.27393	2.1
339.27194	1.9
353.28546	1.1
367.30331	1.2
381.31741	1.2
395.33624	1.1
407.33649	1.0
423.32697	1.4
449.33627	1.2
461.32306	1.0
489.36606	0.9
501.41153	1.1
515.37476	1.1
519.26129	1.0
519.42053	6.1
529.39166	1.5
537.42914	3.2
541.39252	2.0
593.45740	9.5
611.46735	100.0
612.46704	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.70359	1.7
55.01874	2.2
55.05508	16.8
56.74117	1.5
57.03435	3.1
57.07070	4.6
57.91469	1.8
58.19909	1.5
62.81262	1.6
65.03931	2.8
67.05503	45.1
69.07067	17.7
71.08636	2.3
79.05491	28.0
81.03400	2.2
81.07056	41.6
83.04983	2.4
83.08613	9.1
85.06522	1.8
91.05461	31.4
93.07050	33.2
95.04965	2.3
95.08615	36.6
95.09223	1.9
97.06512	2.4
97.10186	3.5
98.20757	5.8
98.21472	5.7
105.07034	28.7
107.04877	1.9
107.08591	18.7
109.10155	16.5
117.07009	12.7
119.04962	3.4
119.08573	25.1
121.10139	15.5
123.11719	5.5
129.06995	11.1
130.07716	2.3
131.08574	20.9
133.10130	22.8
135.11716	10.5
141.07001	2.8
142.07782	3.0
143.08562	14.8
145.10114	19.0
147.04388	13.8
147.11682	19.0
148.04753	9.2
149.04965	2.5
149.13310	4.2
153.83049	2.0
155.08580	6.5
157.10149	15.7
159.11655	13.9
161.13277	8.6
163.14819	2.7
167.07130	3.6
167.08514	2.8
169.10103	8.5
171.11693	11.1
173.12006	2.3
173.13251	11.4
175.14856	5.8
181.10150	3.3
183.11739	6.8
185.13257	10.7
187.14906	5.8
195.11737	3.1
197.13277	6.0
199.14838	7.4
201.16451	3.5
211.14827	3.7
213.16435	3.0
229.19725	2.7
239.18079	2.1
241.19624	6.8
243.21104	2.0
257.19049	4.7
259.20551	15.1
261.22211	4.8
275.20401	2.3
285.22543	1.7
297.22205	2.1
311.23923	2.2
333.24173	10.3
335.25818	12.2
353.28394	2.2
356.06735	2.3
449.34171	1.9
519.42023	6.7
537.42700	3.5
541.38354	1.8
551.25714	2.9
593.45715	7.9
611.27887	10.7
611.46735	100.0
612.46948	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Myricetin 3-rhamnosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.39357	1.3
57.03443	14.8
59.05000	2.3
67.05484	1.5
69.03439	17.1
70.89979	3.0
71.01374	1.8
71.05000	78.9
73.02916	6.6
75.04477	5.3
81.03462	1.9
83.04984	12.1
83.61682	1.5
85.02912	100.0
87.04461	3.2
97.06544	2.4
98.21239	2.2
99.04465	3.0
100.99629	1.5
109.02894	4.1
111.03782	1.5
111.04460	6.8
113.05946	2.0
117.05501	3.3
121.02835	1.5
127.03906	2.6
129.05502	26.8
137.02303	3.3
137.05988	1.7
139.03888	1.9
139.82132	1.4
147.04448	2.5
147.06516	6.6
153.01846	25.8
153.05460	3.8
161.02368	1.8
163.06023	3.7
165.01883	7.6
167.03447	1.7
167.07033	1.7
171.06468	2.7
177.01863	2.2
179.03520	3.1
181.80884	1.7
195.02888	2.7
201.05641	1.7
207.02962	1.6
217.04868	2.3
239.09039	2.2
241.05025	2.2
245.04480	3.9
273.03970	3.5
287.05521	3.1
301.03519	2.8
303.04977	4.0
315.05072	5.7
318.03656	2.9
319.04507	73.9
329.02887	4.1
331.04489	47.2
331.08340	3.2
332.05188	5.3
343.04471	16.5
345.06128	2.0
355.04474	2.2
357.06134	6.9
361.05566	94.0
369.06088	4.2
371.04443	1.8
373.05307	3.6
383.07663	5.6
385.05557	26.4
411.07178	17.0
429.08243	44.7
447.09283	28.3
448.09467	2.0
465.10333	59.0
611.15717	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Quercetin 3-galactosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01876	1.9
55.05530	2.4
57.03442	9.2
61.02942	2.8
68.99789	2.1
69.03435	24.8
71.04999	45.8
71.11039	3.9
71.39750	1.9
71.90463	1.8
75.04475	3.1
81.03416	5.2
83.04979	6.6
85.02911	73.4
86.60145	2.0
87.04459	2.8
97.02901	8.0
109.02889	2.3
111.04427	5.4
121.02898	2.6
123.04465	2.3
127.03884	3.6
129.05479	22.0
137.02357	22.8
145.04970	4.4
147.06516	6.5
149.02335	2.5
153.01848	8.4
161.02429	2.8
163.03920	2.4
165.01813	5.2
166.69002	2.1
177.01802	2.2
179.03401	2.0
195.02843	3.8
197.06126	2.1
201.05482	3.0
229.04962	4.1
247.05974	2.3
257.04495	4.5
259.06049	3.4
271.06131	2.4
280.09811	1.8
287.05444	3.7
299.05530	5.2
302.04166	5.4
303.05002	100.0
313.03351	1.9
315.04944	40.9
316.05658	6.9
319.04462	18.8
327.05069	16.9
329.06400	2.9
331.04474	7.8
341.06476	7.9
343.04443	3.1
345.06046	97.1
353.06616	3.3
357.06128	5.2
361.05466	17.5
367.07959	3.4
369.06149	17.8
385.05505	4.3
395.07587	10.3
413.08649	25.4
429.08173	7.9
431.09695	21.0
447.09338	2.9
449.10815	44.5
465.10263	9.0
482.16022	2.1
507.11121	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	611.1609
Annotation	Gossypetin 8-methyl ether 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.05528	3.5
55.01870	5.9
56.27719	3.2
57.03443	27.7
65.07809	3.4
69.03436	33.0
71.01340	4.8
71.04995	24.2
71.57458	3.3
71.77621	4.0
73.02921	45.7
81.03410	4.7
83.04980	11.0
85.02903	47.0
87.04493	3.8
88.99316	3.3
91.05476	6.1
97.02898	22.3
98.21187	5.4
99.04436	5.3
105.06997	4.8
108.29908	3.2
109.02882	6.7
111.04421	8.7
115.03927	16.4
119.04951	12.0
123.60925	3.3
127.03925	5.7
129.05492	8.8
135.04416	4.4
137.02362	7.8
137.05992	7.7
147.04439	37.5
147.06505	5.9
149.05968	4.1
151.03911	5.5
153.01828	12.3
159.11679	4.6
161.05975	6.3
167.03465	10.4
167.07056	7.5
175.07347	4.7
177.05437	5.8
179.03407	4.1
211.07643	3.8
245.04448	4.6
250.49846	4.3
270.67368	3.8
273.04004	4.8
285.03876	3.5
287.05600	9.9
301.03357	5.5
303.05011	14.0
315.04971	4.7
318.03650	16.0
330.03619	9.4
331.04468	16.6
332.05029	5.7
333.06104	100.0
345.06018	33.2
357.06049	9.5
360.04932	5.0
371.07669	5.2
375.07126	86.4
399.07037	19.7
425.08624	12.1
443.09744	49.9
461.10666	14.8
479.11877	29.7
576.83740	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	611.2863
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
53.03937	0.5
55.05507	0.5
57.07060	0.5
67.05514	2.0
71.57034	0.7
79.05490	1.7
79.70171	0.3
81.07063	2.2
91.05489	1.0
93.07052	1.2
95.04934	0.4
95.08619	1.4
98.21328	0.3
105.07059	0.7
107.08608	0.7
109.10172	1.1
117.07030	0.6
119.08600	0.6
128.06175	0.4
131.04956	0.4
131.08606	0.6
133.10144	0.7
135.11707	0.4
137.05986	0.7
141.43687	0.3
145.10136	0.5
149.09573	0.4
153.01826	0.4
155.07094	0.8
157.98634	0.4
167.07074	1.0
169.10110	0.4
181.04977	0.5
181.08640	0.6
191.07077	0.5
196.18341	0.4
274.11478	0.4
293.14029	0.5
308.67874	0.3
309.88693	0.3
377.17725	0.4
378.18808	0.6
379.19196	0.6
391.19278	1.0
392.20105	0.8
393.20819	0.8
403.19162	1.1
404.20200	0.6
405.17087	1.5
405.21262	1.0
406.17282	0.5
406.22052	0.6
407.22574	4.0
409.20132	0.6
412.37198	0.4
418.17917	1.0
419.17889	2.3
419.23145	0.9
420.19095	0.8
421.20105	2.5
422.21237	0.8
423.21790	1.3
431.18832	0.8
432.19330	0.6
433.20087	7.6
434.21219	3.0
435.17856	2.5
435.22055	3.3
436.18463	0.7
437.23773	3.5
442.35852	0.5
445.20239	0.4
446.20950	1.0
447.21851	2.9
448.23071	0.6
449.19217	3.5
450.20212	2.5
451.21320	3.0
461.23596	0.5
463.20929	3.2
464.22070	7.0
465.22968	6.2
466.24200	0.4
477.23300	2.1
478.23648	0.6
491.24335	1.1
493.21817	0.7
496.25247	0.5
505.22327	0.5
506.23355	0.5
509.21094	1.6
510.26593	0.5
521.25586	5.3
523.22461	0.7
523.27191	0.7
533.25348	0.7
536.23920	0.5
537.25073	0.4
551.26556	22.6
552.27130	1.2
579.26569	0.5
581.27539	1.2
583.29572	0.6
593.27448	0.8
611.28619	100.0
612.28802	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
65.03932	2.5
68.99785	7.1
69.52731	11.1
76.71615	1.6
81.03432	3.7
97.06543	1.7
98.21059	5.8
99.36861	1.5
99.95208	1.6
105.65963	1.5
109.02899	3.8
111.00807	4.6
111.04475	2.3
121.02942	2.1
123.04415	12.4
127.03923	86.9
133.02878	2.0
135.04469	2.1
137.06001	1.8
139.03909	100.0
147.04414	4.7
149.02356	4.1
149.05980	1.9
151.03912	27.5
153.01830	3.0
155.03410	2.2
157.06873	1.5
163.03900	10.0
165.05559	1.7
167.03369	5.9
171.04410	2.0
175.03944	11.6
177.05467	4.3
179.03398	30.7
181.04976	4.4
185.05980	1.6
189.05467	4.0
191.03419	13.9
193.04958	4.1
199.03961	3.6
201.05489	4.1
203.03418	19.1
213.05508	4.2
217.04996	4.6
229.04965	6.7
231.06541	3.8
233.04469	4.9
241.04836	2.5
245.04445	10.5
251.05577	2.3
257.04446	14.7
259.06161	4.1
263.05566	17.5
269.04440	2.6
271.05988	3.6
275.02402	2.9
275.05453	21.9
277.03497	2.2
287.05518	38.7
289.07101	2.6
296.30048	1.5
299.05511	15.5
303.01413	11.3
304.01688	2.4
305.06558	10.0
307.08151	5.9
317.06622	18.4
346.91864	1.6
407.07944	2.6
425.03625	2.6
425.08643	20.1
443.09665	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	611.1401
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00320	0.7
53.03939	0.7
55.01883	1.3
56.96577	1.3
63.85923	0.7
64.78699	0.5
65.03950	1.2
68.99792	7.2
69.03430	1.2
71.56248	0.6
71.56612	0.6
77.75182	0.5
81.03410	3.6
83.04983	0.6
85.02912	1.3
89.59647	0.5
90.25787	0.5
95.04974	1.4
97.02883	1.3
98.21139	0.8
98.97599	1.2
99.04491	0.7
107.05032	0.7
109.02868	4.5
111.00808	6.7
111.04456	1.3
119.04970	1.0
121.02883	2.3
123.04430	9.6
127.03915	100.0
128.04341	0.8
131.04909	1.2
133.02812	3.0
135.04427	2.4
136.31958	0.6
137.02228	0.5
137.05988	0.8
139.03902	83.1
140.04329	0.9
147.04402	8.1
149.02344	1.7
151.03902	31.1
153.01793	3.4
155.03371	1.8
155.04898	0.7
157.06430	0.9
159.04427	1.3
161.05977	1.4
163.03929	7.6
165.05475	2.0
167.03401	4.9
169.04836	1.5
171.04396	1.0
173.06049	1.1
175.03903	14.5
177.05473	4.7
179.03398	36.7
181.04951	3.7
185.05997	1.7
187.03954	0.7
189.05508	3.5
191.03384	11.5
191.05042	0.8
193.04984	5.0
197.06064	0.7
199.03883	2.1
201.05435	4.0
203.03389	21.3
203.06967	0.8
205.04959	2.4
211.03894	0.9
213.05476	4.8
215.03429	1.3
217.04984	4.5
219.06464	1.0
225.05362	0.6
229.04935	4.5
231.02968	0.6
231.06511	2.7
233.04480	4.8
237.02846	0.7
241.04953	2.6
243.06609	1.5
245.04459	10.9
247.02223	0.8
251.05565	2.2
253.05066	0.6
257.04456	11.5
259.02399	0.9
259.05988	2.1
263.05515	16.8
269.04279	3.4
271.05991	2.4
275.01962	2.0
275.05472	15.6
277.03412	2.3
277.07104	1.1
285.00150	1.0
287.05493	41.5
287.72186	0.6
289.07007	2.0
299.05460	16.0
300.05902	0.7
301.06961	0.7
303.01334	7.5
304.01407	1.1
305.06497	9.2
307.08154	7.1
317.06549	14.1
372.04050	0.7
407.07474	2.1
425.08643	18.2
426.08841	0.7
443.09741	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	611.1393
Annotation	56343-26-1
Peak:m/z	Relative Intensity
57.00978	0.2
58.46780	0.2
58.56023	0.2
61.40734	0.2
65.03947	1.5
70.47481	0.7
81.03439	0.3
85.02885	0.3
91.05486	9.8
95.05006	0.4
95.08584	0.3
97.02908	0.3
98.20817	0.4
98.21391	0.4
99.04453	0.2
109.02876	0.4
111.00797	0.4
119.04948	24.5
121.02885	0.7
125.32487	0.3
137.02327	1.4
147.04414	100.0
148.04744	1.0
153.01836	2.5
163.03932	0.6
165.01872	1.0
165.05614	0.3
185.95500	0.3
201.05548	0.6
229.04980	1.8
243.13300	0.6
247.06062	0.5
249.07562	0.4
257.04416	1.2
285.03998	0.6
291.08496	0.3
303.05005	41.9
304.05313	1.0
309.06558	0.4
309.09735	4.6
345.06110	0.6
411.06909	0.4
607.53430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29144	0.2
52.92540	0.2
53.03933	0.4
55.01865	0.4
55.05511	0.3
65.03936	1.7
67.05503	0.6
68.99805	0.6
69.03417	0.6
69.07077	0.3
69.92975	0.8
69.93384	0.4
79.05489	0.6
81.03414	1.1
81.07059	0.6
85.02903	0.7
91.05481	13.2
93.03437	0.3
93.07019	0.4
95.04929	0.4
95.08596	0.6
97.02932	0.4
97.06509	0.3
98.05383	0.2
98.20790	0.4
98.21364	0.6
105.07042	0.9
107.04955	0.8
107.08584	0.4
109.02868	1.0
109.06508	0.3
109.10138	0.7
111.00797	0.7
111.04494	0.3
115.05399	0.5
119.04948	27.8
119.08579	0.4
121.02864	0.7
121.06510	0.3
121.10171	0.3
123.04442	0.5
127.03910	0.7
131.08553	0.4
133.10172	0.4
137.02333	2.5
137.05994	0.9
143.08533	0.3
145.06462	0.4
147.04411	100.0
148.04753	1.0
149.02344	0.4
149.05937	0.3
149.09708	0.3
150.51262	0.2
151.03941	0.3
153.01819	3.8
161.06027	0.6
161.09634	0.8
163.03944	0.4
163.07578	0.3
163.11229	0.5
165.01817	1.2
165.05473	0.7
165.09081	0.4
167.07036	3.2
173.05988	0.5
175.03998	0.3
175.07545	0.3
181.04973	1.3
183.02940	0.4
187.03973	0.4
191.07057	0.4
195.02823	0.3
201.05463	1.3
205.08614	0.4
217.08687	0.3
229.04984	3.2
231.06566	0.3
243.13326	0.3
247.05936	0.3
257.04428	1.8
274.04669	0.6
278.39432	0.2
285.04004	1.4
291.08551	1.6
299.19940	0.2
303.04996	67.4
304.05316	1.1
305.60538	0.3
309.09769	1.1
345.06085	0.7
354.78479	0.3
369.05771	0.3
401.16095	0.3
415.12573	0.2
432.08176	0.3
608.68573	0.3
611.24139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03935	3.3
53.92749	0.9
55.01870	2.2
55.05268	0.8
55.05515	14.5
57.03440	3.9
57.07069	1.9
61.09278	0.7
65.03928	1.5
67.05169	1.6
67.05508	24.6
68.05816	0.8
69.03439	0.8
69.07075	11.9
69.95718	0.9
71.04993	2.5
71.57146	1.0
79.05492	17.2
81.03423	1.2
81.07061	26.0
83.04977	1.8
83.08630	7.6
85.06564	1.1
91.05479	14.0
92.79903	1.0
93.07050	18.6
95.04978	2.9
95.08614	21.2
97.06540	3.0
97.10194	4.1
98.98496	0.8
105.04497	1.0
105.07037	13.7
107.04954	1.0
107.08606	11.1
109.06500	1.1
109.10149	9.3
111.08076	1.7
115.05431	1.4
117.07023	10.8
119.08586	13.9
120.08874	1.1
121.10143	7.4
123.08065	1.0
123.11704	2.4
125.09622	2.1
128.06221	3.3
129.07007	12.3
131.08571	13.0
133.10132	12.7
135.11693	5.0
137.06088	0.9
141.06987	5.3
142.07808	3.6
143.08566	14.6
145.10129	14.0
147.11665	5.8
149.13300	2.7
153.07014	1.9
154.07799	1.7
155.08572	14.0
156.09328	1.4
157.10127	16.5
159.11676	9.9
161.13278	3.3
163.14864	1.7
165.07027	1.2
166.07886	1.2
167.08553	6.3
168.09377	1.2
169.10153	15.5
170.10838	0.9
171.11713	10.6
173.13301	4.5
175.14883	1.8
179.08572	2.3
180.09383	1.6
181.10155	10.4
182.10919	1.8
183.11705	16.4
185.13286	8.9
187.14867	4.6
189.16380	1.5
193.10214	3.3
194.10989	1.0
195.11720	10.6
196.12422	1.6
197.13275	13.0
198.13953	1.0
199.14839	7.4
201.16483	1.8
204.75284	0.8
205.10121	1.0
205.15973	0.9
207.11774	3.2
208.12471	1.3
209.13269	10.0
211.14920	7.4
213.16454	3.9
219.11806	1.3
221.13333	3.8
223.14799	6.6
225.16377	5.9
227.18004	3.7
235.14868	2.2
237.16431	4.3
239.18047	4.0
241.19672	2.0
249.16475	1.9
251.17976	4.7
253.19568	1.6
257.18820	1.0
263.17813	1.2
265.19547	2.6
267.21353	1.0
277.19592	1.0
279.21228	1.2
283.20621	1.0
289.19342	1.2
293.22760	1.7
309.21802	1.3
311.23840	1.5
321.21912	1.0
323.23807	1.3
335.23761	1.1
337.25403	1.0
339.23297	1.2
349.25421	1.4
351.26840	2.3
355.49072	1.3
363.27240	1.5
365.28720	2.1
377.28366	2.0
379.30383	1.2
391.29987	1.1
393.31857	1.1
403.29596	1.1
407.28918	1.0
421.30695	1.4
433.30820	0.9
447.32666	1.4
499.39392	1.9
511.38443	1.4
517.40460	16.7
535.41815	7.2
539.37549	2.0
541.38904	1.1
555.41833	2.0
573.42963	2.0
591.44067	16.0
592.44513	1.1
594.17377	0.9
609.45154	100.0
610.45367	3.5
617.69702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.19057	0.6
53.03944	1.7
54.22097	0.5
55.01878	1.5
55.05259	0.8
55.05512	12.3
57.03436	3.6
57.07069	2.1
58.59669	0.5
65.03940	1.3
67.05505	21.3
69.03420	0.6
69.07065	11.1
69.45947	4.2
71.04993	1.6
77.03943	0.5
77.92172	0.5
79.05051	1.1
79.05495	16.4
79.05961	0.8
81.03407	0.6
81.07056	21.0
83.05004	0.9
83.08624	6.9
85.06532	1.5
91.05479	13.8
93.07046	15.4
95.04970	2.3
95.08610	20.5
97.06527	1.8
97.10142	2.9
98.21141	2.3
99.08094	0.8
102.58575	0.5
103.05495	0.6
105.07027	13.8
107.08598	10.1
109.10168	7.3
111.08084	1.0
115.05475	1.9
117.07015	8.9
119.08587	13.4
121.10145	6.8
123.08093	0.7
123.11726	2.5
125.09671	1.1
128.06209	3.0
129.07014	11.1
130.07756	0.7
131.08569	12.0
133.10129	9.8
135.11694	3.5
137.13277	0.8
139.11153	0.6
141.07001	5.3
142.07796	2.8
143.08553	12.7
145.10123	12.7
147.11662	5.7
147.12595	0.5
149.13275	2.1
153.07042	1.3
154.07780	2.2
155.08562	11.4
156.09328	1.7
157.10130	14.1
159.11685	11.5
161.13263	4.0
163.14787	0.9
165.07043	1.1
165.12846	0.6
167.08569	5.0
168.09392	1.6
169.10130	15.2
170.10875	0.6
171.08301	0.5
171.11693	10.7
173.13246	5.2
175.14888	1.8
178.07904	0.7
179.08595	2.8
180.09404	0.7
181.10103	7.0
182.10875	1.1
183.11697	14.0
184.12433	1.1
185.09801	0.5
185.11763	1.1
185.13268	8.5
187.14795	2.5
189.16476	1.6
192.09341	0.7
193.10094	2.6
194.11011	1.0
195.11696	8.8
196.12566	0.9
197.13248	10.4
199.13191	0.9
199.14827	5.2
201.16414	2.2
203.18011	0.9
205.10135	0.8
206.10950	0.9
207.11705	3.3
208.12556	0.6
209.13303	6.9
210.13977	0.7
211.14825	8.5
213.16464	4.2
215.17987	1.0
219.11667	1.1
221.13298	2.0
223.14778	6.0
223.16754	0.7
225.16400	5.2
227.18040	3.5
229.15976	0.7
229.19624	0.6
233.13165	0.9
235.14841	2.4
237.16360	4.0
238.16719	0.5
239.17978	2.5
241.19543	1.8
249.16451	2.0
251.18048	2.6
253.19550	1.6
257.18979	0.8
261.16425	1.1
263.17963	0.7
265.19598	1.8
267.21143	0.8
271.20459	0.6
275.20239	0.8
277.19574	0.9
279.21066	1.1
281.22952	1.1
283.20596	0.7
293.19150	0.6
293.22540	1.1
297.22113	1.3
299.23694	0.7
305.22766	0.7
307.20407	0.5
309.22110	1.2
311.23679	1.2
321.22107	1.1
323.23853	1.0
325.25388	0.9
335.23633	1.3
337.25378	1.8
339.26935	0.7
341.24820	1.3
343.22690	0.6
349.25232	0.7
351.26907	2.4
353.24841	1.0
363.26929	0.8
365.24545	0.9
365.28592	1.6
369.27960	0.9
377.28571	1.0
379.25986	0.7
379.30292	0.8
381.27902	0.9
383.29242	0.7
391.30060	1.2
393.32071	0.6
405.31592	0.9
409.31134	0.6
421.30847	0.8
433.30844	0.9
435.32614	0.7
447.32416	1.4
449.34189	1.1
461.33798	0.7
465.33517	0.6
467.35623	0.7
475.35394	0.7
483.34726	0.7
499.39285	1.5
515.37451	0.6
517.40424	13.0
535.41620	7.1
539.37463	1.4
541.38574	0.9
551.40167	0.6
553.41809	0.5
565.41620	0.7
573.43042	1.5
591.44098	13.8
592.44727	0.6
609.26050	4.5
609.45111	100.0
610.45343	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37191	1.1
51.02390	1.4
53.03946	10.6
55.01862	6.5
55.05514	26.6
57.03438	13.7
57.07068	1.9
57.72403	1.4
65.03926	2.8
67.05508	51.9
69.03432	19.1
69.07071	9.1
69.23273	11.7
69.23696	3.1
71.01350	4.8
71.04999	9.7
71.14886	1.3
76.73259	1.4
77.22514	1.3
77.37396	1.3
79.05498	47.5
81.03422	100.0
81.07062	41.3
83.04988	24.2
83.08630	16.3
85.02908	18.0
85.06532	4.8
86.40873	1.4
91.05485	39.4
93.07048	48.1
95.04974	23.3
95.08613	13.0
97.02892	16.7
97.06532	12.6
97.10171	9.8
98.20998	7.0
99.04427	8.2
99.08099	1.6
103.05440	1.9
105.07038	24.1
107.04955	8.3
107.08591	28.5
109.02874	14.6
109.06508	5.4
109.10183	8.4
111.04461	15.6
111.08080	10.0
115.05443	1.5
117.07024	7.7
119.04980	2.1
119.08588	19.9
121.06531	4.7
121.10167	11.8
123.04465	1.5
123.08085	3.6
123.11713	2.7
125.09644	3.6
127.03928	10.2
128.06248	2.1
129.05502	1.8
129.07002	10.2
131.08580	9.9
133.06502	4.1
133.10130	12.6
135.08131	2.6
135.11696	34.2
137.09613	3.5
143.08572	3.2
145.06563	3.1
145.10120	11.7
147.08078	2.9
147.11674	13.6
148.26314	1.4
149.09671	4.8
151.11201	2.4
153.12788	4.5
155.08549	1.7
155.93628	1.5
157.10168	8.7
159.08160	1.5
159.11696	1.7
163.11177	12.1
165.12762	3.8
173.04543	1.7
173.09686	2.7
175.11201	8.9
181.12242	14.5
189.11203	3.1
191.10709	5.8
193.12247	28.9
193.13847	2.3
209.11649	1.8
211.13312	46.8
211.15271	2.8
227.12651	7.3
249.14867	2.0
253.14519	1.4
255.15970	12.1
257.15350	1.5
261.14886	2.7
267.15854	7.0
285.16971	4.6
325.16528	5.3
327.22989	1.6
337.16592	4.2
355.17554	7.9
355.21701	1.9
381.19305	4.3
411.20181	5.6
421.25958	1.7
429.26208	4.2
447.27429	15.0
465.28448	14.6
527.08142	1.5
591.31897	6.0
609.32703	75.3
610.33148	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	609.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.0
55.01875	6.1
55.05508	26.2
57.03436	15.0
57.07095	1.8
57.61327	1.7
60.48151	1.7
65.03921	3.8
67.05505	52.2
69.03438	22.1
69.07074	17.4
71.01347	3.4
71.04999	10.4
71.58291	2.2
77.47916	1.7
79.05116	1.5
79.05493	55.6
81.03419	100.0
81.07059	42.6
83.04985	29.6
83.08619	16.9
85.02902	17.3
85.06548	7.4
91.05478	45.2
93.07041	55.9
95.04975	29.3
95.08605	19.1
97.02885	18.1
97.06541	13.1
97.10143	10.1
99.04457	5.6
99.08062	2.1
101.45055	1.6
103.05478	2.4
105.07043	25.1
107.04957	10.1
107.08596	32.8
109.02879	14.8
109.06506	7.4
109.10155	12.3
111.04438	17.0
111.08080	9.7
113.06033	2.1
115.05465	2.7
117.07052	9.0
119.04978	2.1
119.08592	20.8
121.06509	6.1
121.10165	12.9
123.08062	2.8
123.11710	4.9
125.06022	3.0
125.09669	4.6
125.80237	1.9
127.03929	12.8
129.06995	7.0
131.04906	4.6
131.08575	12.0
133.06499	3.8
133.10136	13.1
135.08052	4.1
135.11691	34.3
137.05998	2.6
137.09601	4.1
141.06970	2.3
143.08560	3.1
145.06456	2.5
145.10123	14.6
147.04427	3.7
147.08057	3.4
147.11710	14.1
149.09636	6.1
151.11191	4.2
153.01852	4.0
153.12761	5.0
157.06535	2.0
157.10143	11.6
159.11710	4.2
161.06107	1.9
161.13245	2.1
163.11203	12.9
165.12781	5.1
167.07045	3.4
169.10077	3.4
171.08072	2.1
171.11813	2.9
173.04526	1.8
173.09628	2.9
175.11195	9.4
181.12195	15.1
187.11203	3.9
189.09196	2.1
189.11223	2.1
191.10687	5.4
193.12267	29.7
199.13264	2.2
209.23520	1.8
211.13300	45.4
227.10777	2.0
227.12634	9.0
251.05594	6.1
254.21902	2.0
255.15941	14.8
259.16925	2.2
267.15952	5.9
277.14441	1.8
285.17136	3.0
307.15674	2.4
325.16464	4.9
337.16489	2.3
355.17575	7.4
363.18439	2.0
381.18909	2.9
402.22766	2.0
403.24625	2.6
411.20154	4.8
429.30405	2.9
447.27362	13.2
465.28616	17.8
481.28510	2.2
517.26758	1.9
591.31860	6.7
609.32629	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.2
53.03950	11.5
55.01862	7.6
55.05299	2.4
55.05513	30.9
55.96943	2.1
57.03431	16.0
62.70716	2.2
65.03944	6.1
67.05165	4.2
67.05504	61.5
69.03429	21.3
69.07053	16.7
69.93140	9.6
71.01354	3.4
71.04980	7.1
79.05058	3.6
79.05499	63.8
81.03418	100.0
81.07061	49.6
83.04984	29.5
83.08625	19.9
85.02914	17.1
85.06533	4.4
91.05476	49.5
93.07043	54.2
95.04973	24.4
95.08621	17.0
97.02888	19.6
97.06541	14.5
97.10194	11.0
98.21190	7.4
99.04448	6.9
99.08106	2.9
103.05438	2.2
105.07039	29.8
107.04977	13.8
107.08590	36.3
108.71105	2.3
109.02898	16.9
109.06522	7.2
109.10154	16.3
111.04420	12.6
111.08089	9.5
113.06042	3.4
115.05499	4.4
117.07047	12.2
119.08593	22.6
119.21194	2.2
121.06516	4.6
121.10156	12.3
123.08118	3.6
125.06044	2.5
125.09618	8.6
126.93914	2.3
127.03880	11.3
127.07555	2.2
129.07024	13.4
131.04965	3.0
131.08565	14.0
133.06505	4.7
133.10141	13.9
135.08112	5.2
135.11700	34.8
136.93083	2.3
143.08623	4.4
145.06490	3.4
145.10094	14.5
147.08023	4.0
147.11685	14.0
149.09622	5.6
149.13263	2.6
151.11162	3.2
153.12724	5.7
155.08585	3.4
157.10081	13.2
159.11740	3.7
161.09550	2.6
163.11243	10.9
164.59123	2.3
165.12830	5.0
171.11682	2.6
175.11211	7.8
181.12215	12.6
183.11728	3.3
183.48750	2.5
185.13266	2.7
191.10634	6.3
193.12245	35.6
211.13278	53.1
227.12775	9.9
235.13388	4.2
237.48238	2.2
244.32413	2.3
249.14821	2.6
253.14583	2.4
255.15926	11.9
261.14932	2.8
267.15991	10.0
271.13266	2.9
285.17151	4.8
307.15244	2.4
325.16516	9.4
337.16568	2.7
355.17429	8.4
355.22391	2.6
356.27570	2.2
381.19113	5.4
411.19977	3.0
447.27121	12.0
465.28604	17.3
591.31488	6.7
609.32642	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.21278	0.4
51.44572	0.5
57.43861	0.4
60.93829	0.4
67.05507	1.3
69.07047	0.6
70.02746	0.5
75.18399	0.5
79.05506	1.2
81.07069	1.3
91.05488	1.3
93.07036	0.9
95.08616	1.8
97.06482	0.6
98.21124	3.4
105.07079	0.9
107.08594	1.1
117.07066	0.5
119.08645	0.5
120.05721	1.1
121.10147	0.5
129.06949	0.5
145.10182	0.6
147.04436	0.8
159.11670	0.5
179.07050	0.8
209.10869	0.5
224.26285	0.5
225.13898	0.6
239.15549	0.5
264.74692	0.5
275.20129	0.9
285.11212	1.8
304.78226	0.5
313.10724	1.3
376.17380	0.6
377.18073	0.9
389.19052	0.7
390.18896	0.8
391.19498	1.5
392.19913	1.1
400.16632	0.6
401.17886	0.9
403.19568	0.6
404.20404	0.8
405.20996	3.3
406.21616	1.9
407.22440	2.8
414.18304	0.9
415.19397	2.1
416.20181	0.6
417.17160	0.5
419.18045	0.8
419.22958	1.0
421.23785	3.7
422.25146	0.5
429.20969	2.2
430.22147	1.1
431.18732	0.9
433.24863	1.0
434.20502	0.7
443.22769	0.7
444.23135	1.0
445.20206	0.9
446.21188	0.7
447.18213	1.7
449.23550	1.1
457.24219	1.5
459.21716	2.6
460.22922	1.4
461.18903	4.9
462.20627	2.1
463.21140	1.1
473.19220	0.8
474.20718	1.1
475.21042	7.1
476.21762	5.9
477.22568	4.6
478.23596	1.0
479.24255	0.8
485.23508	5.8
486.20551	1.7
488.22095	1.0
489.22922	4.9
499.21304	2.8
500.22382	1.2
502.23853	0.7
503.24533	6.7
504.22845	0.5
504.24054	0.5
505.22617	0.8
507.23889	1.0
513.22913	0.7
515.24371	4.8
517.22559	1.9
518.23132	0.8
521.26208	2.6
531.23914	8.7
533.26196	0.6
535.23456	0.9
541.22614	1.2
549.24847	2.7
550.25702	4.6
555.27014	0.6
559.23199	3.9
563.26428	1.4
577.24481	2.2
591.26044	13.2
604.99939	0.5
609.27075	100.0
610.27704	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05513	0.8
63.13968	0.3
67.05511	2.1
69.07059	1.1
71.57761	0.5
73.66651	0.3
74.27662	0.3
79.05496	1.3
79.69070	0.2
81.07027	1.4
83.08633	0.4
85.43577	0.3
91.05476	1.2
93.07033	1.0
95.08598	1.5
96.81641	0.3
97.06481	0.3
97.14790	0.3
105.07023	1.0
107.08617	0.7
109.10169	0.7
117.07034	0.8
119.08565	1.0
121.10130	0.5
129.06987	0.5
131.08554	1.2
133.10164	0.7
135.11731	0.4
138.11617	0.3
141.07001	0.4
143.08565	0.9
145.10156	1.0
147.11668	0.8
155.08533	0.4
157.10149	1.1
159.11714	0.6
169.10152	0.9
171.11769	0.7
183.11630	0.7
185.13301	0.5
193.09991	0.4
197.13271	0.5
199.14833	0.3
203.30714	0.3
223.12343	0.3
245.10416	0.3
271.08789	0.3
275.20227	0.5
381.16754	0.3
388.17035	0.5
389.17560	0.9
391.19229	1.1
392.19931	0.4
401.17770	0.6
402.18683	0.5
403.19308	2.0
404.20197	0.9
405.20920	1.8
407.22119	1.4
415.19229	1.3
416.20486	0.4
417.16971	1.3
417.21924	1.5
418.17252	0.5
418.22076	0.6
419.17554	0.5
419.22812	2.6
420.23383	0.7
421.24161	0.4
429.16547	0.6
430.17258	1.6
431.18118	3.0
432.19244	0.9
432.23965	0.4
433.20218	6.3
434.20975	1.1
435.22202	0.6
443.18362	1.6
444.19171	2.0
445.19867	5.3
446.21149	3.1
447.22055	4.4
448.22403	1.3
449.23608	0.5
457.20328	0.9
458.21057	5.9
459.21848	4.6
460.22958	3.0
461.19699	0.9
462.19998	0.8
463.20859	2.2
465.22833	0.4
472.22855	0.4
473.23361	1.2
474.20621	0.4
475.21176	1.2
476.21967	1.2
477.22733	1.5
478.23727	0.5
485.22198	0.4
487.25125	0.4
489.19595	0.4
490.23709	1.3
491.20273	0.5
502.24530	0.3
503.20377	0.5
503.24469	0.3
505.22095	1.4
517.22394	0.8
517.40289	0.6
518.23138	3.7
519.23914	9.9
520.24200	0.4
521.25055	1.9
531.23596	1.0
532.24945	0.8
535.23035	0.4
549.24884	7.3
563.26349	0.7
576.23688	0.5
591.25983	9.8
591.44244	0.6
609.27039	100.0
609.44873	5.3
610.27283	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	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.05499	0.8
75.28636	0.4
79.05478	0.5
81.07050	0.9
91.05475	0.5
93.07057	0.6
98.20972	2.0
103.34553	0.4
105.06989	0.5
107.08598	0.4
167.07161	0.6
259.90588	0.4
329.15616	0.4
391.19217	0.6
405.21014	0.9
415.19302	1.3
419.18143	0.6
419.22791	0.8
428.20117	0.7
429.21033	2.3
430.21591	1.0
431.18433	1.2
432.19711	0.5
433.24890	1.7
434.20883	0.7
435.21979	0.9
443.22272	1.3
444.23148	1.5
445.19489	0.5
445.24829	0.8
447.21942	1.4
449.23441	1.2
457.20285	0.8
459.21426	4.4
460.22815	1.9
461.19077	1.4
461.23532	2.5
462.20627	1.6
463.20844	0.4
468.37772	0.9
471.22055	0.5
472.22467	1.7
473.23575	0.6
474.24524	0.6
475.20847	1.0
476.21982	1.8
477.22775	1.6
485.23343	1.2
486.24365	0.6
487.25143	3.3
489.22815	1.9
492.25305	0.6
503.24966	2.2
505.18460	0.5
508.24142	0.4
516.22058	0.5
519.23749	2.3
521.21649	3.5
531.23914	21.4
532.24634	1.2
549.24957	9.9
563.26349	0.9
591.25946	2.5
609.27045	100.0
610.27271	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
69.58712	2.1
70.51178	0.3
76.00951	0.3
77.49659	0.3
78.93803	0.3
81.07027	0.5
81.60481	0.3
84.68887	0.3
98.21471	0.5
193.07520	0.3
196.12329	0.3
207.08934	0.3
363.16205	0.7
363.53290	0.3
375.16449	0.4
376.16779	0.8
377.17480	2.1
379.19193	0.8
389.17645	0.6
390.18192	0.7
391.16098	0.4
391.19498	2.9
392.19995	1.7
393.20660	1.3
398.17426	0.4
403.19476	0.6
404.15717	0.7
404.20099	1.0
405.16446	3.6
405.20969	1.4
406.17987	1.4
407.22464	5.7
408.22818	0.5
417.16888	0.5
418.18039	1.1
419.18182	5.4
420.19196	2.1
421.20029	2.3
431.18945	0.4
432.19666	0.7
433.16016	2.1
433.21234	4.8
434.21268	4.3
435.16339	0.7
435.21826	10.0
436.22052	0.6
446.21234	0.5
447.18076	2.9
447.22452	1.6
448.18094	1.5
449.19467	2.2
461.18762	2.1
462.20325	7.4
463.21298	6.2
473.19958	0.3
475.21240	3.1
476.21997	0.8
479.20761	1.0
489.22928	2.0
493.22116	0.6
494.23193	0.5
495.23685	0.4
505.22162	0.5
506.23117	0.5
507.20435	0.9
517.22424	0.6
521.25732	8.6
522.26184	0.4
534.22797	0.8
549.25000	27.9
550.25659	0.9
551.22986	0.4
577.24152	0.5
580.23108	0.4
581.27429	1.5
609.27118	100.0
610.27393	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.8
55.01871	6.5
55.05507	24.8
57.03433	6.0
57.07071	2.9
59.05005	1.5
65.03938	5.9
67.05504	76.5
69.03429	18.7
69.07069	24.0
71.01353	1.8
71.04984	9.7
71.58157	2.3
73.02925	2.3
79.05490	58.6
80.55058	1.6
81.03416	71.9
81.07054	95.9
83.04983	17.0
83.05464	2.2
83.08624	17.4
85.02890	9.4
85.06546	5.7
91.05477	43.1
93.07047	67.5
94.07388	1.9
95.04967	14.2
95.08605	32.3
97.02901	15.5
97.06544	13.1
97.10167	3.3
99.04488	3.9
99.08100	4.7
103.05442	2.3
105.04518	1.8
105.07027	26.4
107.04972	8.9
107.08601	32.2
109.02895	15.3
109.06532	5.7
109.10151	7.9
111.04459	11.4
111.08124	6.8
115.05476	1.7
117.07024	13.2
119.08569	14.5
121.06493	5.6
121.10139	21.9
123.08054	3.8
123.11722	5.8
125.05954	1.5
125.09614	3.5
127.03910	9.3
129.07021	5.9
131.04945	2.6
131.08560	17.1
133.06459	4.0
133.10124	15.4
135.04362	1.9
135.07999	3.0
135.11708	12.1
137.09593	3.1
141.06982	3.9
143.08566	4.4
145.06476	3.8
145.10130	5.8
147.08035	1.8
147.11678	14.9
149.05978	2.5
149.09668	3.0
149.13252	22.2
149.14363	2.2
151.07607	1.8
151.11171	2.6
155.08591	3.1
157.10191	3.7
159.08093	1.7
159.11671	14.3
161.13237	2.2
163.11224	2.6
165.12778	5.9
167.07043	8.5
169.10114	1.8
171.11768	2.1
173.04488	4.1
173.09642	2.2
175.11182	2.6
177.12790	8.8
183.06599	2.7
185.13470	1.8
193.12294	2.3
195.13788	20.8
213.14914	3.3
229.14362	1.8
239.14209	1.5
267.16013	5.2
269.17465	13.7
275.16397	2.1
285.14679	2.4
293.17416	1.9
297.16919	1.9
303.15955	4.6
321.16943	5.8
339.18021	12.7
377.19540	3.6
395.20663	15.0
445.29672	7.0
463.30560	12.5
571.32813	2.9
589.33710	5.4
607.34796	100.0
608.34869	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	609.2716
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.05508	1.1
69.41762	2.1
69.42191	4.1
81.07074	1.4
85.43867	0.7
92.75805	0.9
93.07064	1.4
95.08647	0.8
119.08643	1.1
146.93396	0.8
160.20285	0.8
177.54686	0.9
251.90605	0.8
297.36304	0.7
376.16479	0.9
377.18015	1.1
389.18570	1.1
390.18402	1.3
391.19189	3.4
392.20053	1.2
402.19095	1.4
403.20090	0.7
404.20538	1.0
405.21158	3.7
406.21420	2.3
407.22375	3.7
413.18063	1.4
414.18634	1.1
415.19229	1.7
417.21072	1.0
419.18399	1.5
421.23865	4.6
427.19958	0.8
428.20221	1.2
429.20612	3.6
430.22089	1.6
433.20233	1.5
443.22122	1.0
444.23373	1.4
446.21310	1.2
447.18405	2.2
457.24234	1.8
459.22040	2.5
461.19254	5.8
462.20502	2.7
463.21387	1.6
475.21100	6.7
476.21884	6.1
477.22519	4.5
485.23404	9.1
486.20862	2.7
487.24768	1.4
489.23041	5.3
499.21417	2.8
500.21747	2.4
502.24411	0.8
503.24530	5.3
507.24100	0.9
513.23138	0.9
515.24451	6.8
521.25275	2.8
531.16138	0.6
531.23883	14.2
549.25012	2.9
550.26019	3.1
559.23358	7.1
577.24487	1.2
591.16486	1.3
591.26019	30.1
609.27094	100.0
610.27435	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	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39491	1.8
52.82874	1.7
53.03955	12.1
55.01863	8.6
55.05514	28.8
57.03447	9.7
57.07060	2.1
57.64722	2.1
59.05003	2.3
65.03937	6.3
67.05504	84.5
69.03424	16.0
69.07073	22.8
69.81048	7.1
69.81466	3.5
71.04984	7.8
78.92974	2.3
79.05490	58.4
81.03420	67.9
81.07058	100.0
83.04977	14.8
83.08626	16.2
85.02905	5.7
85.06528	7.3
91.05483	44.8
93.07044	68.7
95.04975	11.8
95.08044	2.8
95.08605	32.1
97.02898	13.7
97.06538	15.7
97.10150	2.4
98.20829	3.7
98.21368	3.2
99.04450	7.7
99.08105	4.3
103.03979	1.9
105.04560	2.1
105.07032	30.6
107.04955	7.1
107.08588	33.0
109.02882	12.8
109.06502	5.8
109.10155	10.9
111.04451	11.8
111.08090	6.6
117.07008	14.0
119.08575	16.6
121.06496	5.6
121.10133	23.5
121.95394	2.2
123.08028	4.4
123.11704	7.6
126.62301	1.8
127.03907	9.4
129.06987	8.6
131.08569	17.5
133.06499	2.3
133.10133	19.5
135.08035	4.9
135.11737	11.3
143.08554	6.2
145.06396	2.9
145.10127	8.4
147.11664	16.6
149.09673	3.5
149.13261	32.5
153.09125	2.1
155.08577	4.4
157.10149	8.1
159.11703	17.6
161.13255	3.0
163.11217	2.2
165.12767	4.2
171.11609	4.1
173.04459	2.4
173.09665	2.8
173.13284	3.3
173.53770	2.1
177.12688	10.3
179.14348	2.8
183.06570	2.5
195.13829	20.8
201.12646	1.9
213.14879	5.5
219.14082	2.1
267.15875	5.9
269.17551	15.4
275.20044	4.4
303.15860	4.0
321.16989	5.2
339.18005	15.1
342.32040	2.1
377.19629	3.0
395.20908	9.8
431.18890	2.9
433.23358	3.1
434.08881	2.2
445.29526	6.1
460.22583	3.4
461.23486	2.6
463.30530	16.6
503.33487	3.7
533.85571	2.1
547.26672	8.0
589.33148	6.8
607.35590	87.8
616.54169	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	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18243	1.5
50.53963	1.5
51.02382	2.5
52.81097	1.4
53.03950	13.1
55.01857	6.9
55.05514	29.3
57.03443	10.6
57.07049	2.4
59.79712	1.5
62.60937	1.5
65.03923	5.4
65.91467	1.5
67.05506	86.1
67.05873	4.3
69.03426	17.7
69.07071	25.5
71.04985	10.5
77.03876	1.9
79.05492	62.2
79.36390	1.5
81.03419	74.6
81.07059	100.0
83.04983	14.0
83.08624	18.2
85.02894	6.3
85.06528	4.7
85.38940	1.5
88.06187	1.8
91.05484	45.3
91.46365	1.6
93.07047	71.8
95.04984	12.0
95.08604	31.0
97.02898	20.1
97.06536	13.8
97.10166	4.1
99.04459	5.1
99.08080	4.4
105.04513	2.3
105.07027	22.3
107.04955	8.3
107.08598	35.1
107.28114	2.0
109.02884	13.6
109.06500	7.4
109.10156	8.8
111.04436	8.8
111.08047	7.7
117.07015	14.9
119.08562	11.1
121.06514	4.7
121.10153	22.8
123.08022	3.3
123.11726	5.2
125.09599	2.0
127.03931	10.8
128.06215	2.4
129.05473	2.2
129.06992	4.6
131.04951	2.2
131.08571	16.8
133.06497	2.0
133.10126	12.5
135.04430	2.9
135.08069	3.4
135.11681	15.3
143.08522	2.5
145.06456	3.0
145.10123	6.7
147.08044	2.5
147.11682	12.2
149.05951	1.9
149.09599	2.0
149.13257	28.5
155.08542	2.3
156.23196	1.7
157.10123	2.3
159.07983	2.4
159.11719	16.8
163.11171	3.7
165.12772	4.6
177.12717	9.2
181.12123	2.0
183.06526	3.6
183.10030	1.7
183.11752	2.0
187.11160	1.9
195.13844	19.0
213.14880	3.6
219.13657	2.5
249.14891	2.4
257.47391	1.7
261.14902	2.2
267.15900	4.4
269.17441	13.6
275.16324	3.1
303.15942	2.7
321.16946	6.5
339.18008	20.1
377.19778	2.7
395.20557	14.4
463.30624	18.9
589.33582	4.0
607.34937	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.3
53.03953	13.8
55.01873	9.3
55.05511	26.9
57.03445	9.0
57.07067	3.0
65.03944	5.4
67.05506	80.9
68.13023	1.5
69.03426	14.9
69.07069	26.2
69.85770	9.6
71.04993	9.4
71.75224	1.5
73.02934	3.5
79.05495	55.5
81.03423	69.2
81.07059	93.7
83.04986	12.2
83.08621	15.3
85.02910	6.6
85.06546	5.6
86.71477	1.5
91.05486	48.3
93.07048	62.5
93.07629	3.6
95.04968	16.3
95.08608	31.4
97.02894	14.2
97.06528	13.7
97.10181	3.5
98.20834	3.4
98.21378	3.2
99.04465	4.3
99.08108	3.5
100.46056	1.9
102.56632	1.6
103.05483	2.6
105.04528	2.3
105.07040	25.9
107.04987	6.3
107.08603	33.9
109.02901	11.4
109.06535	5.3
109.10157	10.9
111.04458	9.8
111.08103	7.6
117.07027	20.1
119.08591	14.5
121.02872	1.7
121.06535	5.3
121.10144	18.4
123.08058	2.6
123.11718	6.8
127.03942	6.6
128.06308	1.6
129.07031	5.4
131.05013	2.4
131.08568	16.9
133.06503	3.9
133.10153	15.0
135.08067	4.8
135.11705	10.0
137.05989	2.7
140.87384	1.7
143.08604	4.4
145.06499	1.9
145.10165	6.9
147.08044	2.6
147.11674	13.7
149.09682	2.0
149.13248	29.5
149.14313	1.9
155.08635	2.2
157.10124	3.6
159.11688	14.7
159.12636	1.4
161.13263	2.4
163.11227	3.0
165.12784	5.4
169.10162	2.8
173.13333	4.8
177.12787	9.9
179.14441	2.3
183.06615	3.0
195.13815	18.8
195.15240	1.9
205.16080	2.0
213.14899	4.4
261.14911	2.3
267.15958	5.6
269.17526	15.7
275.16678	2.2
275.20163	3.4
285.14877	2.0
297.16913	2.7
303.16013	3.2
321.17139	5.7
339.17941	15.5
371.26614	1.7
377.19867	2.9
395.20691	13.5
445.29349	8.1
463.30530	16.1
479.29968	2.5
503.33917	2.6
509.37033	2.8
533.31281	2.6
571.32318	2.3
589.33728	4.1
607.34875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99295	0.4
54.60591	0.5
55.05569	0.5
57.07130	0.7
67.05244	0.4
67.05560	0.6
71.08703	0.6
72.01534	0.4
79.05557	0.8
81.06716	0.5
81.07157	1.3
93.07120	0.6
95.08704	0.6
98.20947	2.5
105.07155	1.1
107.08710	0.5
109.10293	0.4
117.07167	0.4
121.10306	0.6
133.10239	0.4
149.09741	0.5
209.10863	0.5
221.10938	0.9
233.10870	0.6
270.29004	0.4
275.20084	0.8
276.20535	0.6
312.15005	0.4
313.27853	0.7
314.27896	0.5
350.24448	0.6
373.14474	0.7
374.15799	0.7
375.16278	1.1
385.40207	0.4
386.16074	0.5
387.15958	0.8
388.17096	1.4
389.17520	3.8
390.18701	1.7
391.19388	0.8
401.17883	1.6
402.14316	0.7
402.18771	1.5
403.15280	0.6
403.19409	7.1
404.19870	3.1
405.20782	3.9
407.22501	0.6
415.19565	0.8
416.16492	1.8
417.17197	5.4
417.21240	3.1
418.17908	1.3
418.22342	1.0
419.22400	9.5
420.23038	1.0
429.16602	0.8
430.18112	1.7
431.18210	11.2
432.19046	3.5
433.20020	2.7
443.19034	0.8
444.19644	0.8
445.20227	8.1
446.20959	7.6
447.21753	11.5
448.22476	0.6
457.20605	0.7
459.18109	2.6
459.22836	1.4
460.18729	1.2
461.19919	1.3
462.24191	0.5
463.25299	0.9
473.19870	1.5
474.20483	12.0
475.21265	12.1
475.27396	0.7
476.21741	0.7
477.23578	0.5
478.23746	0.6
487.21051	3.0
488.22272	0.8
489.22208	0.5
490.23779	1.6
491.20367	1.6
491.25259	1.1
501.22992	1.7
502.23325	0.6
503.24353	1.1
504.21417	0.5
505.22324	0.9
506.23132	0.8
517.21991	0.6
519.24072	13.8
532.20996	0.6
547.23395	67.6
548.23523	2.2
561.24963	1.3
579.26184	5.2
589.24402	1.2
607.25439	100.0
608.25983	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	607.2916
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.61335	0.6
55.05510	1.0
57.07081	0.8
62.28137	0.5
67.05514	0.8
70.79369	1.4
71.08637	0.9
73.56757	0.5
79.05484	1.6
80.11890	0.5
81.07063	1.0
83.08607	0.5
91.05449	0.6
93.07053	1.2
95.08617	1.7
98.20989	0.9
99.08037	0.6
107.08614	0.7
133.10121	0.8
158.63681	0.6
179.14337	2.1
223.71986	0.7
267.08279	0.5
277.21765	1.4
313.27475	0.6
315.61246	0.5
387.16260	0.7
389.17737	1.1
401.18051	0.7
402.18494	0.9
403.19128	4.4
404.20004	2.0
405.20868	2.2
415.19537	0.9
416.20282	1.4
417.16406	1.3
417.21558	3.8
418.21774	2.8
419.22321	5.3
429.17068	0.7
430.17575	0.8
431.18274	9.7
432.19647	2.3
433.24258	7.1
434.24536	0.9
445.19769	10.2
446.20828	5.5
447.21649	5.1
459.21680	4.2
460.22565	11.7
461.23367	10.7
473.23676	2.8
474.24390	1.2
477.23071	0.9
487.25049	1.2
489.23013	0.7
492.25510	0.7
505.21552	3.0
506.39084	0.7
519.24249	2.4
532.24811	0.8
547.27051	29.6
548.27582	1.2
575.26691	1.0
579.29633	0.7
589.48224	2.0
607.29163	100.0
608.29218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.46376	0.4
71.34888	0.8
91.96747	0.4
92.06036	0.5
186.82690	0.5
209.10670	0.8
247.77875	0.5
290.66431	0.5
300.15112	0.6
376.18021	0.6
387.16180	1.3
388.17047	1.2
389.17642	2.1
390.18774	0.6
401.17801	1.3
402.18433	1.9
403.19162	6.8
404.20102	1.9
405.20847	2.8
415.19278	1.9
416.15390	0.7
416.20135	2.1
417.16614	1.8
417.21420	7.1
418.21805	4.8
419.22290	6.5
429.21249	0.9
430.17130	2.7
431.18088	15.0
431.23618	1.4
432.18436	2.7
432.24045	1.0
433.24115	16.8
434.24786	1.2
444.19638	1.5
445.19843	17.4
446.20709	6.0
447.21942	5.1
458.20886	0.8
459.21445	6.0
460.22574	17.1
461.23355	18.6
473.23853	4.3
474.24268	1.6
477.22684	1.0
487.25208	2.7
491.24466	1.4
492.25516	1.0
504.25162	0.7
505.21701	2.6
506.26682	0.6
519.27228	2.8
532.24756	1.4
547.27039	51.9
548.27020	0.6
575.26556	1.2
578.24945	0.6
579.29816	1.5
607.29132	100.0
608.29382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.02035	0.3
64.01756	0.3
65.40437	0.4
69.25080	0.4
69.25571	1.9
69.26077	0.6
69.48830	0.8
69.49140	0.8
69.49451	0.5
90.55161	0.3
97.34750	0.3
98.21356	1.1
106.04515	0.3
157.44756	0.3
164.45926	0.3
209.10902	0.6
262.16803	0.3
300.15027	0.4
327.94693	0.3
370.75079	0.3
387.16064	0.6
388.16666	0.6
389.17740	1.3
401.17969	0.5
402.18475	1.1
403.19177	2.9
404.20038	1.2
405.20816	1.6
406.21658	0.3
415.15134	0.4
415.19843	0.5
416.20343	0.6
417.16278	0.7
417.21439	3.6
418.21964	2.1
419.22412	3.7
430.18005	1.1
431.18222	7.8
432.18671	1.5
433.24060	8.6
434.24872	1.7
443.18674	0.6
444.18759	0.5
445.19794	8.1
446.20813	4.2
447.21725	4.5
459.21396	4.0
460.22537	11.6
461.23337	12.7
473.23425	2.9
474.24136	1.2
476.22278	0.4
477.22720	0.6
487.25104	1.8
488.26086	0.6
489.23093	0.4
491.25085	0.7
492.25406	0.5
504.25327	0.5
505.21707	3.5
506.26871	0.5
515.24542	0.6
518.22870	0.4
519.22864	1.7
532.25012	0.6
533.25769	0.6
547.27057	29.1
548.27502	0.9
564.26965	0.3
575.26337	1.1
578.25415	0.5
579.29626	0.8
607.29138	100.0
608.29370	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	606.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10795	0.2
51.84510	0.2
53.03934	0.4
55.01863	0.6
55.05514	2.9
57.03424	0.9
57.07076	2.5
61.02919	0.6
63.58463	0.2
65.03942	0.9
67.05504	0.4
68.37714	0.2
69.03417	1.7
69.07054	0.7
70.64249	0.5
73.02921	2.5
73.06558	0.3
76.50495	0.3
79.05476	0.5
81.03410	0.9
81.07060	0.9
83.04962	0.3
83.08609	0.4
85.02901	2.8
91.05465	0.6
93.03416	0.3
93.07038	0.6
95.04964	0.5
95.08615	0.8
96.08945	0.3
97.02898	2.1
98.21181	0.5
102.42862	0.2
105.07027	0.5
106.07356	0.2
107.08591	0.6
109.02924	0.3
109.10172	0.5
111.04440	0.2
115.03931	0.7
118.84257	0.2
119.08557	0.5
121.02879	2.2
121.10215	0.3
123.11729	0.4
127.03922	0.7
133.04933	0.5
133.10107	0.3
135.11716	0.3
145.04929	0.5
145.10127	0.3
147.11716	0.4
149.02342	100.0
150.02699	0.6
153.01822	2.6
154.02164	0.5
167.03419	0.9
167.07039	0.2
178.04982	0.7
181.05034	0.3
203.06958	0.5
205.08598	20.0
206.09099	0.3
221.08070	1.2
268.48495	0.3
277.14352	12.1
295.15488	1.5
391.28552	0.3
445.39294	0.2
606.33380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.40923	0.2
62.50464	0.2
69.55975	1.5
76.15610	0.3
76.92429	0.2
78.02267	0.2
85.17361	0.2
98.20951	0.6
124.64692	0.2
186.93436	0.2
195.09290	0.2
207.09134	0.3
209.10852	0.5
221.10829	0.3
223.12384	0.2
236.61034	0.2
260.11938	0.2
286.13373	0.3
310.13391	0.3
338.16577	0.2
362.16165	0.2
373.14648	0.2
374.15295	0.4
375.16068	0.8
376.17496	0.3
386.17303	0.2
387.16260	0.7
388.17053	0.8
389.17621	3.0
390.18686	1.2
391.19177	1.0
401.17813	0.7
402.13940	0.3
402.19138	1.0
403.19479	4.9
404.20044	1.9
405.20795	3.3
407.22198	0.3
413.17944	0.3
415.19397	0.6
416.16415	0.8
416.20914	0.4
417.16257	4.4
417.21173	2.1
418.17743	1.2
418.22693	1.0
419.22437	5.9
420.23050	0.8
429.17075	0.3
430.17569	0.7
431.18362	7.9
432.19089	3.5
433.20105	3.7
434.20801	0.3
435.21457	0.3
443.18930	0.4
445.20120	5.8
446.21057	8.0
447.21750	8.5
448.22565	0.4
459.17279	0.7
459.21988	1.6
460.18704	0.8
460.23856	0.3
461.19608	2.0
462.24268	0.7
463.20844	0.6
463.25821	0.4
473.19751	1.2
473.24649	0.3
474.20435	4.9
475.21054	4.6
476.22021	0.4
477.22968	0.7
478.23672	0.9
487.21240	1.7
488.21768	0.4
490.23950	0.5
491.20212	3.0
501.22992	1.0
504.21707	0.5
505.22754	1.0
506.23166	0.6
518.22803	0.3
519.24097	15.9
520.23895	0.5
529.22485	0.5
532.20972	0.3
533.24530	0.3
535.23651	0.2
547.23364	12.8
548.23944	0.8
551.26715	0.3
561.24890	0.4
579.26056	5.9
580.25928	0.3
589.24426	0.4
607.25507	100.0
608.25769	3.1
627.50623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34193	1.9
53.03951	5.9
55.01871	16.1
55.05516	33.7
57.03453	8.9
57.07080	55.1
65.03926	3.9
67.05508	77.3
69.03436	3.0
69.07075	26.1
71.05000	4.7
71.08638	38.4
71.35689	1.5
79.05497	48.2
81.03425	3.5
81.07062	100.0
83.04987	4.9
83.08624	25.6
84.26553	1.7
85.06538	4.0
85.10188	20.3
91.05485	38.5
93.07053	36.4
95.04968	10.5
95.08608	64.2
97.06551	19.1
97.10178	14.0
98.21346	7.9
99.08093	2.1
105.07032	42.9
105.07674	3.4
107.04971	20.6
107.08595	38.3
109.06518	13.7
109.10159	24.3
111.08093	3.5
117.07005	12.3
119.08585	30.9
121.06530	4.0
121.10155	19.9
123.08083	4.9
123.11708	12.5
125.09624	10.7
129.07060	2.8
130.07544	1.8
131.08589	19.2
132.43248	1.7
133.06570	1.9
133.10146	22.4
135.08070	7.0
135.11723	7.6
137.09630	3.1
137.13225	3.1
139.11183	2.2
143.08571	5.1
145.06516	3.0
145.10144	24.0
147.08086	1.9
147.11694	23.1
149.09636	26.9
149.13292	3.6
151.11192	2.7
157.10112	5.6
159.11668	11.1
161.09676	2.1
161.13211	4.2
163.11180	10.8
165.12778	3.8
169.10060	3.3
171.11794	5.0
173.09660	2.4
173.13281	7.3
175.11261	2.2
175.14854	2.6
177.12663	2.5
183.11728	2.5
185.13153	2.2
187.14723	2.4
189.11284	3.6
191.14410	2.6
193.12398	1.8
197.13454	2.2
204.15343	1.9
207.13934	2.2
218.15964	1.8
221.22691	2.1
227.12762	13.0
229.19577	3.8
239.17938	6.1
239.23753	7.6
247.20581	4.7
257.19080	16.2
275.20081	96.4
289.09854	1.8
293.21176	10.3
313.27374	58.9
331.22687	5.1
349.23752	42.4
376.89636	1.7
394.26660	1.7
483.36749	3.0
510.08096	1.9
587.46649	47.3
605.23718	4.7
605.47925	52.2
613.93170	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.9
63.84491	0.5
65.06937	0.5
67.05502	1.6
69.07046	0.7
79.05488	1.4
79.87043	0.5
81.07054	1.6
91.05469	0.9
93.07035	1.2
95.08618	2.0
98.21130	3.7
99.18790	0.5
105.07025	1.1
107.08615	0.9
119.08582	0.8
129.50676	0.6
133.10109	0.7
147.07973	0.6
153.81787	0.6
167.03494	0.5
275.20016	1.3
401.17700	0.8
413.17676	0.8
414.18576	1.1
415.19266	5.7
416.20050	2.6
417.20642	1.0
417.84064	0.6
428.20135	1.1
429.20898	8.4
430.21530	4.5
431.22241	1.0
442.21597	0.8
443.22794	5.1
444.23462	6.5
445.24277	3.8
448.26321	0.9
456.19540	0.7
457.19400	1.1
457.24847	1.0
458.24783	2.3
459.21518	2.8
459.25952	2.4
472.22415	3.9
473.23483	6.4
474.24097	2.4
485.23544	3.8
486.24677	2.5
487.24945	22.6
488.25583	1.8
489.22925	1.4
503.24170	2.2
517.26086	2.4
532.24719	0.6
545.25482	16.4
545.33496	0.9
546.26392	3.9
573.24811	1.0
577.28918	0.6
587.46753	0.7
605.27563	100.0
606.27698	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	605.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.3
55.01863	8.0
55.05510	33.8
57.03434	13.1
65.03925	6.3
67.05507	78.0
68.99786	2.2
69.03430	23.2
69.07069	26.9
71.01342	2.5
71.04992	11.4
71.57453	2.6
73.02901	3.1
77.03927	2.6
79.05499	71.3
81.03420	95.7
81.07060	100.0
83.04981	20.7
83.08614	23.2
85.02904	18.5
85.06528	6.9
91.05488	81.6
91.06071	3.7
93.07047	61.8
95.01344	3.2
95.04969	53.1
95.08611	38.9
97.02898	20.3
97.06519	11.9
97.10181	10.0
99.04457	8.1
99.08104	5.1
101.00323	2.3
103.05477	4.0
105.07039	54.6
107.04967	21.5
107.08601	37.3
109.02890	23.8
109.06529	14.0
109.10152	9.4
111.04440	11.6
111.08062	10.4
112.02872	1.9
115.05470	5.0
117.07048	22.0
117.47658	2.2
117.64415	1.8
119.04951	8.9
119.08597	32.9
121.02882	4.4
121.06510	15.9
121.10134	21.0
123.04403	12.8
123.08080	6.7
123.11707	8.3
125.02368	4.6
125.05953	2.7
125.09622	7.5
127.03930	10.6
128.06213	6.4
129.07036	22.8
130.13284	1.9
131.04904	10.7
131.08578	34.9
133.06525	13.5
133.10136	23.2
135.04433	3.6
135.08076	12.2
135.11668	11.6
137.05968	5.2
137.09622	2.9
141.06993	6.5
142.07721	4.2
143.08545	12.2
145.06482	19.0
145.10121	12.5
147.04404	11.2
147.08070	10.5
147.11700	20.4
149.05995	8.2
149.09659	9.8
149.13260	12.8
151.11211	2.4
153.09113	3.7
155.08575	6.4
157.06505	7.2
157.10112	12.7
159.08049	5.2
159.11699	13.3
161.05992	9.0
161.09613	5.0
163.11194	10.8
165.12755	7.6
167.07030	6.5
167.08589	5.7
169.06476	2.5
169.10121	5.7
171.04414	2.5
171.08099	6.0
171.11661	6.1
173.04465	9.9
173.06026	8.2
173.09654	6.0
173.13304	3.9
174.06656	2.4
175.11195	11.3
177.12743	9.7
177.75244	2.0
179.08533	3.8
180.09431	1.9
181.10065	5.2
183.08057	7.1
183.11729	5.4
185.05981	3.3
185.09674	4.6
185.13274	4.5
187.07559	4.6
187.11212	4.7
189.05507	5.0
189.11240	8.0
189.12756	2.5
191.10646	2.7
193.12257	17.7
195.11836	4.1
195.13837	10.3
197.09523	2.7
197.13361	3.1
199.07603	2.6
199.11194	2.6
199.14824	2.5
201.12801	3.3
205.12296	3.9
207.11729	3.8
211.11513	2.3
211.13232	10.5
213.12805	2.8
217.12184	2.1
219.13882	3.3
221.13368	2.7
223.13248	3.4
225.12903	2.6
227.12709	4.6
229.12093	2.5
231.13988	2.5
233.15437	2.8
235.13176	2.6
237.12790	2.9
239.14302	4.2
243.13817	2.6
245.15413	2.4
247.13417	4.3
247.16934	2.4
249.14935	6.1
257.15274	3.9
259.13428	3.0
261.15015	5.3
267.15979	12.1
269.17480	20.4
271.13293	3.5
273.14944	23.8
275.16299	2.2
277.14374	3.6
283.13300	3.0
285.14853	7.8
287.16547	2.5
289.14355	2.1
291.16083	2.6
301.14359	24.2
303.15891	8.8
319.15485	13.6
321.16968	5.3
337.16888	4.1
339.18097	3.0
347.19150	2.2
369.24152	3.7
375.18207	6.3
377.19470	3.0
393.19260	7.3
395.20563	3.7
405.25760	2.4
443.27924	6.8
461.28851	4.9
477.26862	2.7
479.29095	2.4
495.27496	5.7
513.28461	4.5
523.29797	2.6
527.30115	4.6
541.31305	3.8
551.30176	6.8
557.30896	4.2
569.31256	23.1
587.32166	32.7
605.33179	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	604.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
53.65419	4.1
55.05491	4.4
56.39197	3.5
63.63609	4.3
65.03922	6.1
69.03432	4.5
69.07055	4.0
71.56607	4.5
79.05505	7.3
81.03423	8.6
81.07053	8.9
82.03772	3.8
83.08643	4.3
85.02877	4.2
91.05451	9.6
93.07046	8.5
93.86351	4.6
95.04950	4.1
95.08577	6.7
105.07005	12.6
107.08625	7.2
109.02898	6.2
109.10171	4.1
110.03671	9.0
111.04437	10.8
119.08644	3.8
121.02824	5.2
121.06448	5.5
121.10160	6.3
123.54309	4.3
125.05951	10.6
126.41142	4.6
128.17435	3.6
133.10132	7.4
137.06009	6.5
137.13301	4.2
145.10106	6.8
147.04391	9.8
149.02295	5.1
151.07564	6.1
153.01826	17.9
153.05460	12.5
161.09633	5.0
167.07050	4.8
184.07327	6.5
201.12672	4.0
222.06937	4.4
240.07861	6.7
253.08536	11.6
255.10139	4.4
272.89603	3.8
283.09732	5.1
299.12778	4.7
309.11108	8.7
313.10675	9.3
327.12283	22.3
331.15396	4.3
359.14896	100.0
458.43707	4.3
491.88123	4.4
604.29486	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84825	0.5
53.03945	0.5
55.01879	1.4
55.05513	2.2
56.58719	0.5
57.07079	1.6
67.05511	3.4
67.50062	0.4
69.07081	1.2
71.08620	0.8
79.05495	2.3
81.07066	3.6
83.08644	0.7
91.05491	4.0
93.07077	3.0
95.05025	0.7
95.08611	2.3
97.06578	0.7
105.07027	5.5
107.08614	2.1
109.10204	1.8
117.07071	1.0
119.08613	1.7
121.10119	0.7
123.11728	0.7
131.08617	1.4
133.10153	3.5
135.11703	1.4
145.10165	1.3
147.11737	1.0
149.09618	0.7
157.10143	0.8
159.11702	0.8
163.11243	0.8
165.01892	0.5
167.07108	1.4
169.08688	0.5
169.10173	0.5
180.91684	0.5
181.04962	0.6
185.29225	0.5
259.20627	0.7
275.20245	1.7
291.19681	0.8
292.19745	0.6
313.27563	2.1
349.23706	0.7
387.16254	1.0
399.16272	0.8
400.16885	2.1
401.17728	3.9
402.18491	1.4
403.19324	1.4
413.17664	1.5
414.18405	1.7
415.19421	4.2
416.20108	2.8
417.20905	3.9
428.15726	0.9
428.21057	0.8
429.16446	7.7
430.17593	1.7
431.22430	10.0
432.23032	1.3
442.17468	0.6
443.18253	10.1
444.19006	3.9
445.20178	3.5
456.19635	0.7
457.19690	5.0
458.20926	12.5
459.21848	11.3
471.21811	4.2
472.22586	0.7
475.21674	0.8
485.23383	2.2
490.23511	1.0
503.20886	2.2
507.40909	0.6
517.26868	2.6
530.23712	1.0
545.25513	33.5
546.25635	1.2
573.25110	1.4
605.27637	100.0
606.27960	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	603.3164
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02384	4.4
53.03958	11.6
55.01873	16.7
55.05514	36.2
55.74461	2.1
57.03441	16.9
64.81101	1.8
67.05505	50.1
67.91662	2.5
69.03431	13.4
69.07069	13.5
71.01371	2.8
71.04996	9.5
73.02905	2.4
79.05494	54.0
81.03423	79.5
81.07059	49.3
83.04986	20.2
83.08630	28.7
85.02910	34.3
85.06557	5.7
88.76353	1.8
91.05488	67.3
93.03421	3.3
93.07047	43.0
94.85646	2.2
95.01323	3.3
95.02456	3.6
95.04971	71.1
95.08614	24.3
97.02900	8.5
97.06525	8.5
97.10178	15.0
98.20673	2.9
98.21352	9.3
99.04472	3.6
103.05479	9.3
105.03425	2.5
105.07037	44.4
107.04967	20.4
107.08586	22.5
109.02879	20.0
109.06528	12.2
109.10169	12.1
111.04432	12.9
111.08110	12.4
113.03497	12.3
113.06008	3.4
115.05458	12.8
116.06219	2.8
117.07036	20.4
119.04967	8.6
119.08581	30.2
121.02892	7.7
121.06537	17.0
121.10152	18.5
123.04417	10.0
123.08076	7.5
123.11699	4.3
125.09630	12.3
127.03910	6.8
127.05390	2.5
128.06239	6.8
129.07019	25.8
130.07751	2.2
131.04935	18.0
131.08586	24.2
132.35822	2.1
133.06508	17.5
133.10136	18.4
135.04451	4.9
135.08090	8.5
135.11691	9.5
137.02356	9.0
137.05994	5.1
137.09636	2.6
141.07002	8.5
142.07787	5.1
143.08574	12.0
144.05731	3.5
145.06491	22.4
145.10138	15.7
147.04401	15.1
147.08051	11.4
147.11682	18.6
149.05946	9.9
149.09593	12.4
151.04004	3.5
151.07562	4.2
151.11241	2.9
153.01862	6.9
153.07034	4.6
153.12782	3.9
155.08553	8.8
157.06543	10.6
157.10126	16.9
158.07341	2.3
159.04440	3.7
159.08069	13.5
159.11734	3.8
160.05182	6.2
161.05975	20.3
161.09666	9.0
163.11195	15.0
165.06998	5.1
165.12726	2.2
167.07094	3.2
167.08589	6.0
169.06499	4.3
169.10202	4.5
171.04500	2.7
171.08044	12.8
171.11726	3.5
173.06006	28.3
173.09641	6.2
173.13275	3.7
174.06778	5.8
175.03972	3.2
175.07561	10.0
175.11151	12.2
177.05571	4.0
179.08652	3.1
179.10631	2.3
181.06494	4.9
181.10194	4.4
181.12317	6.1
183.08130	6.9
185.06013	3.8
185.09589	4.2
185.13222	3.3
186.06775	2.7
187.07567	14.6
187.11252	3.6
189.05470	29.0
189.09171	4.2
189.11183	3.3
189.12787	2.6
191.08879	2.2
191.10757	6.9
193.12253	36.4
195.08116	3.5
195.11700	3.1
199.07602	5.1
199.11200	3.4
201.05408	4.1
201.09178	4.4
203.07121	5.0
203.10759	3.4
205.12337	3.2
207.13962	2.4
211.07553	2.8
211.11354	3.9
211.13295	40.1
213.09106	2.5
213.12802	5.4
215.07127	3.0
226.93883	2.1
227.12817	7.7
229.12271	3.7
231.13850	3.1
237.12823	4.2
239.06665	4.0
241.12158	2.8
245.15450	2.4
255.13878	11.7
257.07742	3.8
257.15433	4.2
259.13477	3.2
267.15948	14.1
273.14832	30.1
283.13177	14.2
285.14792	9.9
285.17511	16.2
289.14374	9.3
291.15775	2.4
301.14337	100.0
303.15933	8.0
304.89514	2.5
315.15869	4.7
319.15411	17.9
323.16550	2.7
329.17432	3.7
331.15417	2.5
339.15863	3.5
341.17438	4.6
357.17136	6.4
359.18491	3.5
375.17996	24.6
393.19119	9.3
446.71286	2.2
447.25403	4.4
459.27307	2.9
465.26166	2.2
475.25101	3.3
483.27847	2.8
490.99380	2.2
493.26071	8.0
511.26852	4.2
539.30292	3.6
543.29504	4.1
567.29486	14.2
573.30627	21.2
585.21173	4.4
585.30591	88.1
603.31628	96.8
604.32269	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
55.05511	19.3
57.07075	33.0
65.03928	2.7
67.05193	4.6
67.05503	36.9
69.03426	10.1
69.07066	28.0
69.87915	1.6
70.78353	1.5
71.08628	22.3
71.47809	1.6
79.05494	23.8
81.03429	4.0
81.07058	32.7
83.04990	2.8
83.08637	12.6
85.06554	2.5
85.10175	12.9
86.15733	1.9
91.05466	15.4
93.07043	19.2
95.04990	7.7
95.08611	30.1
97.02912	8.8
97.06542	2.2
97.10175	14.0
98.20812	6.4
98.21500	4.8
98.98485	2.0
101.96779	1.7
105.07040	9.6
107.04957	6.3
107.08586	13.0
109.06523	4.3
109.10159	16.4
111.08079	2.1
117.07008	6.7
119.08596	13.5
121.06556	2.7
121.10137	5.7
123.08080	4.6
123.11726	6.1
125.09638	4.8
129.07011	5.0
131.08557	10.1
133.06488	2.4
133.10138	6.0
135.08072	3.2
137.09561	2.1
143.08563	4.6
145.10130	5.8
147.08057	6.5
147.11725	2.6
149.09615	1.9
149.13239	4.3
157.10144	2.9
159.11687	4.9
161.09608	5.3
161.13237	2.6
167.06927	1.8
175.11269	3.4
177.12834	2.2
189.11230	2.2
194.40338	2.0
196.06015	1.9
205.12309	2.9
223.13272	17.6
239.23650	2.5
273.18527	21.9
291.19534	100.0
301.78183	1.9
313.27426	5.6
323.15802	1.8
347.22217	4.6
365.23291	2.2
492.58377	2.0
505.39117	5.3
582.46899	1.8
603.46204	96.6
604.46448	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	603.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	4.0
53.03941	10.5
55.01871	19.3
55.05510	43.0
57.03422	14.1
57.07079	4.3
67.05504	51.7
68.99809	4.2
69.03437	15.3
69.07070	15.4
69.94071	2.9
70.07545	9.9
71.02596	2.5
71.04977	8.7
73.09038	3.8
79.05489	60.4
81.02976	5.2
81.03423	73.2
81.07055	59.9
83.04976	23.6
83.08623	27.9
85.02897	38.7
85.06520	4.7
91.05488	69.0
93.07049	44.2
95.04962	67.8
95.08588	29.1
97.02882	10.4
97.06524	12.0
97.10188	18.1
98.21043	6.8
98.21639	3.6
99.04456	6.4
103.05471	8.6
105.07037	42.3
105.07692	5.3
107.04943	25.6
107.08581	22.3
109.02886	19.0
109.06518	12.3
109.10128	14.8
111.04449	14.4
111.08079	9.3
113.03481	18.9
113.06007	3.3
115.05466	11.4
116.06220	3.8
117.07010	24.5
119.04928	11.6
119.08586	32.9
121.02873	11.0
121.06500	19.8
121.10144	21.9
123.04422	10.3
123.08069	13.1
123.11691	7.0
125.09632	12.0
127.03977	6.7
128.06152	6.6
129.07028	20.8
131.04926	17.0
131.08580	26.2
133.06503	23.9
133.10100	16.1
135.04420	4.2
135.08063	10.0
135.11682	9.5
137.02299	6.2
137.05992	7.1
137.09592	5.9
141.06990	10.0
142.07758	4.1
143.08542	13.4
145.06487	29.3
145.10117	16.0
147.04373	16.0
147.08025	13.8
147.11687	11.0
149.05971	11.3
149.09604	11.8
151.03917	4.5
151.07504	5.3
151.11147	3.2
153.01826	13.4
153.06973	4.8
153.12729	4.9
154.17981	3.1
155.08554	8.5
157.06465	12.9
157.10106	13.9
159.08067	13.0
160.05183	6.7
161.04948	3.3
161.06021	30.4
161.09615	11.7
163.03918	4.1
163.07532	5.3
163.11177	16.2
165.05547	4.0
165.12770	6.3
167.07051	5.6
167.08612	5.6
169.06438	5.6
169.10129	4.2
171.04358	4.5
171.08060	11.8
171.11647	5.8
173.05992	37.8
173.09589	7.2
173.13235	3.4
174.06786	9.1
175.03940	7.4
175.07556	8.2
175.11205	11.5
177.05475	4.4
181.10030	4.7
181.12274	5.0
183.08049	8.3
183.11700	4.3
185.05933	6.9
185.09686	5.1
185.13184	3.2
187.07481	19.6
189.05499	31.5
189.08997	3.5
189.11201	5.1
191.07024	4.4
191.10626	8.1
193.08485	4.0
193.10481	4.8
193.12236	28.3
195.08015	4.8
197.09474	3.2
199.07597	6.5
199.11249	3.6
201.05473	5.7
201.08987	3.7
203.06943	4.1
203.10660	7.7
211.07565	4.0
211.11292	5.1
211.13261	32.9
213.09004	4.5
217.12035	3.7
227.12721	8.6
241.12198	3.1
243.13780	3.9
255.13791	11.2
257.15308	4.1
267.16000	11.4
271.13300	4.7
273.14844	30.5
283.13165	16.5
285.14386	16.5
285.17065	10.2
289.14352	7.3
295.16812	3.5
299.16296	4.1
301.14334	100.0
303.15826	7.4
315.15823	6.5
319.15433	15.6
323.16306	3.5
341.17380	11.0
343.15472	9.3
357.16959	7.1
375.18115	23.8
393.19116	7.0
447.25174	5.7
465.26199	4.2
493.25885	11.3
511.26685	12.7
525.28052	4.7
543.29254	12.2
567.29462	19.1
573.30597	21.3
585.30585	100.0
603.31555	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3165
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03941	8.6
55.01871	17.1
55.05262	2.2
55.05513	35.0
57.03443	10.8
57.07064	1.8
59.90589	1.3
65.19769	1.6
67.05502	42.4
68.99756	1.5
69.03425	10.4
69.07066	11.1
69.42108	1.3
70.39777	3.0
70.40179	3.2
71.01360	2.8
71.04984	9.7
79.05494	50.9
81.03416	76.7
81.06580	2.4
81.07056	47.8
83.04982	18.9
83.08617	28.1
85.02905	30.6
85.06547	3.8
89.04546	1.7
91.05479	57.2
93.03397	1.8
93.07043	31.0
95.01315	2.4
95.04968	53.3
95.08607	15.5
97.02891	6.7
97.06502	7.5
97.10176	16.0
98.21085	3.8
99.04450	2.8
99.08097	1.8
100.72748	1.4
102.35547	1.8
103.05470	7.5
105.04529	2.1
105.07027	38.2
107.04949	23.0
107.08598	20.2
109.02879	19.6
109.06529	8.5
109.10144	9.4
111.04451	13.1
111.08097	11.5
113.06011	3.1
115.05457	13.0
117.07018	19.5
119.04968	7.6
119.08575	27.6
121.02877	6.8
121.06511	16.4
121.10134	14.1
123.04438	6.7
123.08078	10.1
123.11743	3.4
125.02315	2.5
125.09629	12.6
127.03881	2.9
128.06215	7.6
129.06990	22.6
130.07744	1.7
131.04912	16.0
131.08580	22.2
133.06488	17.2
133.10129	10.4
135.04414	4.7
135.08008	7.1
135.11708	6.4
137.02330	7.0
137.06000	5.9
137.09628	2.1
141.06999	6.4
142.07761	3.1
143.08562	8.9
144.05737	2.3
145.06490	23.4
145.10146	9.5
147.04408	15.2
147.08054	12.0
147.11690	15.5
149.05963	7.2
149.09624	9.0
151.03862	2.1
151.11218	2.0
153.07072	2.3
153.09180	2.2
153.12772	3.3
155.08537	9.4
157.06503	12.6
157.10144	13.9
158.07300	2.1
159.04442	3.3
159.08076	7.8
159.11682	2.7
160.05203	5.5
161.05994	25.1
161.09625	5.2
163.07501	2.2
163.11174	14.0
165.05550	3.5
165.06964	3.2
165.09164	1.9
165.12759	6.2
167.08556	5.2
169.06497	3.6
169.10191	5.5
171.04404	3.7
171.08061	8.0
171.11667	2.1
173.05968	30.8
173.09659	6.1
174.05461	1.8
174.06735	8.8
175.03922	2.6
175.07587	8.1
175.11163	10.7
177.05345	2.3
179.08601	2.0
181.06578	2.8
181.10088	3.2
181.12302	5.7
183.08096	5.4
183.11729	2.1
185.06009	3.5
185.09665	4.9
185.13284	3.2
186.06717	2.7
187.07530	15.1
187.11168	3.7
189.05469	26.5
189.07060	2.5
189.09161	4.7
189.11209	5.5
189.12727	3.4
190.06291	2.1
191.10638	6.1
193.12247	39.8
195.08180	2.7
195.11697	3.6
197.09651	2.0
199.07549	5.8
199.11113	1.8
199.14790	1.9
200.08336	2.9
201.05507	2.7
201.09045	2.4
201.12836	2.1
203.07037	2.6
203.10703	2.7
209.09724	2.3
209.13263	2.3
211.07629	3.2
211.11322	3.6
211.13263	39.9
211.15227	2.6
213.12717	4.0
215.10556	2.2
217.12425	2.2
223.11267	2.0
223.13261	2.6
227.12508	7.5
227.14688	2.3
231.13744	3.1
237.12872	3.6
239.10713	2.6
241.12260	3.7
243.13704	2.1
255.13826	13.7
257.15402	5.8
265.12131	2.7
267.15967	11.0
271.13245	2.5
273.14819	28.6
283.13202	14.2
285.14740	9.7
285.17496	16.6
289.14352	6.8
291.16031	4.5
301.14313	100.0
303.15942	5.1
313.17648	1.5
315.16028	1.8
319.15314	15.6
323.16437	4.7
331.15189	2.3
341.17419	4.0
357.16812	7.2
359.18246	3.6
367.22568	3.1
375.17999	19.3
385.23566	2.2
393.19165	9.4
427.36505	1.6
447.25189	3.2
449.28751	1.7
457.23975	1.9
459.27240	3.5
475.24963	4.2
477.28409	5.1
493.25851	7.1
511.26953	6.0
529.27856	3.6
539.30096	2.1
555.29230	2.7
557.31580	3.5
567.29321	11.5
573.30573	20.1
585.30591	91.9
586.30914	2.2
603.31573	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38543	2.6
53.03932	7.1
55.01872	15.1
55.05297	3.3
55.05510	36.1
57.03424	13.4
67.05509	44.4
67.53241	2.9
69.03419	10.6
69.07063	12.3
69.43741	14.1
69.44169	10.0
71.01353	2.7
71.04977	7.3
79.05496	54.1
81.03418	72.9
81.07053	54.4
83.04985	21.1
83.08619	30.2
85.02899	27.4
85.06538	4.5
91.05478	57.5
93.07037	36.0
95.04968	58.3
95.08604	24.6
97.02882	10.0
97.06522	6.1
97.10157	23.4
98.21282	11.1
103.05433	7.9
105.04509	3.4
105.07023	39.8
107.04960	20.0
107.08589	25.0
109.02868	14.2
109.06510	9.8
109.10162	9.2
111.04434	13.5
111.08074	12.3
114.96198	3.6
115.05453	13.0
117.07025	24.1
119.04942	10.2
119.08578	24.7
121.02834	8.3
121.06548	15.9
121.10148	17.3
123.04402	6.9
123.08036	9.7
123.11729	5.3
125.09633	19.0
128.06200	6.2
129.07004	19.1
131.04912	19.0
131.08577	19.2
133.06470	15.9
133.10112	15.6
135.04404	4.3
135.08034	8.6
135.11691	10.0
137.02367	5.0
137.05965	4.0
139.03864	3.6
141.06938	10.1
142.07753	4.9
143.08560	13.3
144.09262	4.0
145.06473	25.2
145.10115	10.3
147.04398	17.3
147.08020	11.5
147.11703	13.9
149.05988	8.8
149.09601	10.5
153.07027	3.8
155.08582	9.6
157.06467	12.7
157.10120	12.8
159.04468	3.2
159.08005	11.6
159.11749	4.0
160.05150	5.4
161.06009	27.3
161.09615	8.8
163.11195	13.9
165.05481	3.4
165.07019	4.4
165.09140	3.3
165.12750	3.3
167.08586	5.2
169.06468	4.2
169.10112	5.2
171.04399	4.3
171.08032	12.3
173.05994	31.7
173.09630	10.1
174.06789	8.9
175.07561	10.4
175.11185	8.7
177.05582	3.9
181.06441	5.0
181.10072	3.7
183.08023	9.1
183.11571	3.3
185.05968	3.6
185.09590	7.0
186.06815	5.4
187.07539	18.6
189.05452	28.8
189.09068	5.3
189.11154	9.6
191.07069	3.8
191.10664	4.5
193.12265	24.0
195.08058	7.1
195.11775	4.8
197.06024	3.9
197.09505	3.4
199.07545	8.6
201.09140	4.5
203.10762	3.7
209.09607	3.9
211.07587	7.2
211.11275	6.3
211.13235	36.8
215.07051	4.0
227.12759	10.9
229.12224	3.3
229.15961	3.0
235.11250	3.2
243.13773	5.0
255.13850	10.3
257.15402	5.3
259.13266	4.9
267.15948	9.2
271.13293	5.3
273.14899	24.7
283.13275	16.9
285.14752	12.4
285.17072	12.2
289.14322	11.6
293.15356	3.2
295.16772	3.3
301.14319	97.6
303.15967	6.6
309.76706	3.1
313.17920	4.4
315.15768	8.7
316.63773	3.4
319.15448	18.7
323.16476	5.8
325.14331	3.5
341.17438	17.4
343.15302	13.7
353.17282	3.3
357.17075	5.4
359.18604	5.3
375.17972	22.3
393.19144	6.6
447.25305	5.4
457.23862	4.5
465.26498	3.8
475.24670	6.3
493.25784	13.1
511.27017	22.1
529.27826	4.2
539.30048	8.9
543.29120	16.8
549.28271	4.0
557.30792	3.4
559.28748	5.3
567.29413	29.7
573.30579	18.9
585.30579	100.0
603.31531	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03942	5.8
55.01864	1.6
55.05259	2.6
55.05513	32.4
57.07070	6.6
59.04999	2.0
65.03915	3.9
67.05507	18.8
68.90334	1.3
69.03426	3.8
69.07068	14.9
71.04984	4.9
71.08630	1.7
71.57755	1.4
79.05494	25.4
80.06270	2.7
81.03413	2.3
81.06573	1.9
81.07058	38.0
83.04998	6.7
83.08133	2.3
83.08620	38.8
85.06531	8.0
85.65937	1.2
91.05480	46.1
93.06458	3.0
93.07043	53.5
95.04974	16.8
95.08038	2.6
95.08605	35.5
97.06535	10.1
97.10175	1.6
98.20975	1.6
99.04475	4.8
99.08126	1.7
103.05494	2.3
105.07034	81.6
106.07897	1.8
107.08597	55.9
109.06526	9.8
109.10158	23.2
111.08051	3.5
113.09659	6.3
115.05459	5.4
116.06228	1.8
117.07019	20.7
118.07825	1.4
119.08583	100.0
120.09348	5.2
121.06516	3.4
121.10143	33.1
123.08074	11.6
123.11723	8.2
125.09646	9.5
128.06209	9.9
128.36015	1.4
129.07002	17.5
130.07777	6.8
131.08572	39.9
132.09344	4.7
133.06476	2.0
133.10130	59.9
134.10887	3.9
135.08064	4.1
135.11705	17.3
137.09610	4.0
139.11182	9.5
141.06987	7.1
142.07790	14.8
143.08569	35.2
144.09352	14.1
145.06549	2.5
145.10126	73.1
146.10876	2.9
147.08061	2.0
147.11694	25.8
149.09624	9.4
149.13258	4.2
151.11192	1.7
153.07002	3.1
153.09055	1.5
154.07761	3.3
155.08578	14.2
155.10606	8.4
156.09344	16.4
157.10133	49.5
158.10973	9.1
159.08070	3.6
159.11688	37.0
160.08829	19.8
160.12442	3.0
161.06023	1.6
161.09624	5.1
161.13307	9.1
163.11156	3.3
163.73987	1.3
165.06952	3.9
165.12735	3.4
167.08578	7.2
167.10696	5.0
168.09328	4.3
169.10139	28.7
170.10944	8.6
171.10149	3.5
171.11690	29.6
172.12477	4.9
173.09563	2.7
173.13261	21.0
174.14072	1.6
175.11169	2.3
175.14822	16.8
177.12741	2.3
179.08569	7.8
179.14307	3.1
180.09375	4.4
181.10133	14.2
181.12250	21.8
182.10912	8.3
183.11700	23.0
183.13585	2.2
184.12527	6.0
185.09630	2.5
185.13289	13.5
186.14044	4.1
187.11200	2.0
187.14850	13.5
189.12747	3.9
189.16385	1.8
191.14337	6.0
192.09305	2.8
192.14938	1.5
193.10141	9.1
193.15875	1.7
194.10835	6.6
195.11699	22.2
196.12450	8.2
197.13263	30.9
198.14012	4.1
199.14789	10.4
200.15465	1.6
201.12743	3.6
201.16444	8.2
202.13556	1.5
203.14261	1.8
205.10133	1.6
205.15826	1.6
206.10895	4.1
207.11742	7.7
207.13576	1.9
208.12440	4.5
208.14368	2.0
209.13266	21.1
209.15320	2.1
210.14009	4.5
211.14836	16.8
212.15515	2.4
213.12714	1.9
213.16408	7.2
217.15849	6.2
219.11754	3.7
219.17400	1.9
220.12444	3.3
221.13248	10.2
221.15405	8.5
222.13988	3.0
223.14853	12.8
224.15587	2.8
225.14677	26.8
225.16479	4.8
226.16988	1.6
229.15897	1.8
233.13242	2.5
233.15326	15.0
234.13995	1.5
235.14827	6.1
236.15543	1.5
237.16394	6.5
239.17947	4.6
241.15839	1.7
241.19458	4.3
245.15469	1.6
246.16135	2.2
247.14793	3.0
247.17085	3.0
249.16382	5.5
250.17249	2.2
251.17918	4.2
253.19661	1.9
255.17346	2.2
257.19101	3.0
259.14777	1.8
259.20612	7.3
261.16373	2.7
263.17929	5.2
265.19547	6.4
267.21121	2.0
271.20258	2.2
272.21353	4.7
273.16089	1.6
275.17899	2.4
276.18768	1.5
277.19537	4.1
279.21021	2.6
283.20523	4.6
285.18637	1.9
285.22235	1.7
286.19272	7.7
289.19305	2.2
291.20880	2.5
295.20450	2.9
296.21179	1.5
297.22272	2.1
299.20166	3.6
309.22174	2.7
311.20093	1.9
311.23682	3.5
324.24481	3.7
325.21521	1.4
329.48547	1.4
337.25262	1.9
349.25311	2.6
351.23303	1.8
351.26877	13.3
364.27609	2.1
367.26370	3.5
373.25302	1.4
398.28058	3.1
412.29706	2.0
416.30798	1.4
428.39017	1.4
459.32745	1.9
477.33704	1.8
492.35526	3.2
504.35309	1.6
510.37079	8.9
566.39435	1.5
584.42072	2.6
602.43164	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73355	2.8
52.91476	2.5
53.03944	8.0
55.05516	16.9
57.07064	12.0
59.04994	4.9
64.19187	3.1
65.03930	4.3
67.05505	27.4
69.03426	15.7
69.07067	23.2
69.83381	15.2
71.04986	4.4
77.03873	4.4
79.05494	41.7
81.07053	40.5
83.04990	17.6
83.08615	12.0
85.06522	10.6
87.04455	4.0
90.21444	2.8
91.05486	60.9
93.07056	71.0
93.71475	2.9
95.04542	2.5
95.04978	26.5
95.08132	3.7
95.08610	39.7
97.06542	20.2
98.20942	5.6
105.07039	100.0
105.07755	5.3
107.04942	6.2
107.08595	68.1
109.06528	22.8
109.10167	27.7
111.08089	10.1
113.09626	6.3
115.05446	5.2
116.06216	5.1
117.07037	23.7
119.08589	90.3
121.06493	17.0
121.10154	53.8
123.08073	32.2
123.11725	6.7
125.06036	3.8
125.09621	15.1
128.06230	14.7
129.07008	27.4
130.07780	8.5
131.08572	52.0
133.06490	5.5
133.10149	49.6
135.08051	26.5
135.11656	14.7
137.09663	16.7
139.11237	3.8
141.06992	14.9
142.07777	31.9
143.08588	52.4
144.09343	14.1
145.10129	79.0
146.07254	5.8
146.10835	3.8
147.08043	33.7
147.11679	27.8
148.08865	3.2
149.09612	20.7
149.13261	4.8
151.07574	10.7
151.11205	4.5
153.07043	4.4
154.07681	6.1
155.08578	27.2
155.10626	14.0
156.09364	24.4
157.10138	84.1
158.07295	4.6
158.10880	12.9
159.08125	20.2
159.11703	47.2
160.08836	4.8
161.09628	20.3
161.13286	9.1
163.11174	15.5
165.06970	10.0
165.09135	23.5
166.07758	4.7
167.08572	14.6
167.10704	20.6
168.09328	10.6
169.10106	34.7
170.10892	13.2
171.11678	50.8
172.08914	4.0
172.12448	6.3
173.09618	16.2
173.13249	23.2
174.10513	5.5
175.11176	24.7
175.14793	7.1
177.09128	3.2
177.12781	5.9
179.08586	15.9
180.09357	6.8
181.10098	23.3
181.12242	5.5
182.10976	15.6
183.11685	29.1
184.12517	9.3
185.09579	8.7
185.13281	31.1
187.11214	10.8
187.14822	8.1
189.12721	10.5
190.13513	5.0
191.08517	3.1
191.14444	5.6
192.09296	6.2
193.10124	19.1
193.12302	9.4
194.10884	10.6
195.11659	32.2
196.12453	8.2
197.13304	31.3
198.10455	3.2
198.13910	5.7
199.11137	9.8
199.14801	15.5
201.12790	11.7
203.14325	24.5
205.10204	4.9
206.10892	6.0
207.11720	24.0
207.13837	12.8
208.12480	14.3
208.14561	9.6
209.13249	27.9
209.15202	5.1
210.13992	7.0
211.11172	6.7
211.14857	20.7
213.12778	9.4
213.16339	9.7
215.14331	12.8
217.15994	4.8
218.10892	4.4
219.11679	8.5
219.13786	7.1
220.12473	7.7
221.13235	16.0
221.15393	48.9
222.15810	4.6
223.11140	4.6
223.14905	15.4
224.15663	4.5
225.12743	5.5
225.16423	12.8
227.14264	7.2
229.15889	6.0
231.11702	5.8
233.13182	8.8
233.15367	33.0
234.13940	4.1
234.16133	9.7
235.14900	10.0
237.12636	6.0
237.14854	15.2
237.16669	8.4
239.14249	6.9
241.15970	4.0
245.13135	5.2
246.13956	6.8
247.14807	9.1
247.16975	8.5
248.14003	4.8
249.16602	5.4
251.14265	4.4
251.18123	5.0
253.15952	10.7
255.17461	38.0
259.14609	4.8
261.16382	7.7
263.17914	7.5
265.19611	3.8
267.17462	4.2
268.18182	3.6
269.19101	5.2
270.19806	4.4
273.18539	9.8
274.16910	3.8
275.18002	3.7
279.17532	6.1
281.19012	9.4
283.20441	3.2
285.18564	7.5
286.19269	8.9
287.20117	6.7
289.19519	5.0
294.19751	6.7
295.20697	4.7
297.18411	3.8
299.20010	9.4
303.19537	19.9
312.20895	6.8
313.21667	9.8
319.20682	4.0
325.21722	15.5
337.21582	4.1
345.21881	4.6
347.23529	5.3
352.23947	35.4
353.24399	3.6
365.24759	19.4
383.25885	7.8
507.34583	6.6
520.35559	16.3
574.99640	3.2
582.40521	3.9
600.41925	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01864	3.0
55.05504	5.7
57.06823	1.3
57.07076	13.4
59.04998	2.9
65.03930	1.6
67.05505	9.8
69.03427	7.5
69.07048	4.2
69.42632	3.5
69.43053	7.2
76.87605	1.3
77.03893	1.6
79.05496	11.1
81.03383	1.6
81.07054	19.3
83.04976	7.1
83.08604	1.8
85.06544	7.0
89.06049	2.9
91.04961	2.1
91.05482	29.6
92.06261	2.7
93.06467	2.5
93.07050	31.6
95.04989	9.7
95.08603	21.8
96.08898	1.5
97.06525	6.4
103.05460	3.1
105.07034	47.7
106.07816	2.5
107.04977	1.7
107.08595	24.5
109.06507	9.6
109.10157	6.4
111.08076	3.3
115.05431	2.5
117.07025	12.5
119.04961	2.5
119.08586	59.8
120.09391	2.3
121.06505	8.2
121.10146	19.5
122.07267	3.5
123.08074	13.8
123.11693	1.9
125.06005	9.1
128.06230	3.3
129.07001	10.2
130.07779	3.3
131.08565	23.0
132.09366	2.0
133.06480	4.5
133.08586	3.2
133.10129	24.5
134.10922	1.9
135.08049	18.2
135.11725	7.1
137.05977	2.7
137.09633	12.9
139.07547	3.1
141.07011	4.3
142.07785	9.3
142.08725	2.1
143.08572	20.7
144.09317	5.7
145.09030	2.4
145.10132	39.2
147.08055	28.5
147.11658	5.9
149.09601	13.6
151.07558	11.2
151.11108	2.7
153.06975	1.7
153.09100	2.1
155.08586	8.8
156.09363	7.6
157.10129	33.8
158.10876	5.1
159.08018	8.2
159.11700	22.9
160.12341	1.4
160.68605	1.4
161.09622	11.6
161.13275	6.4
163.07571	1.6
163.11166	22.0
165.06995	1.8
165.09123	44.2
166.09372	1.7
167.08554	4.8
168.09354	3.0
169.10138	12.7
170.10909	6.8
171.11700	15.5
172.12466	3.7
173.09630	9.5
173.13228	8.6
173.36110	1.4
175.11176	21.9
175.14775	2.9
177.09097	5.0
177.11244	1.7
177.12685	2.3
179.08569	2.7
179.10709	2.8
180.09361	3.6
180.11455	3.1
181.10114	6.1
181.12236	20.3
182.10954	4.1
183.11690	16.0
184.12413	3.0
185.09653	4.7
185.13289	10.0
187.11165	6.5
187.14792	3.7
188.11929	2.2
189.12723	9.6
190.13516	9.4
191.08864	1.4
191.10605	5.6
191.14270	1.8
192.09413	1.4
193.10138	5.0
193.12253	14.8
194.10913	4.4
195.11699	10.5
195.13786	3.0
196.12476	4.2
197.09616	4.2
197.13310	11.6
198.10298	2.0
199.11192	6.1
199.14871	2.8
201.12758	6.9
203.14311	19.2
207.11647	6.4
207.13794	8.5
208.12685	2.5
208.14571	8.5
209.13220	9.7
210.14032	2.5
211.11197	5.2
211.14787	6.6
212.11963	1.5
212.15578	2.3
213.12709	7.9
213.16313	2.0
215.14375	2.8
216.15112	1.8
219.11855	2.5
219.13786	9.2
221.13437	5.3
221.15364	100.0
222.15703	5.1
223.11148	2.7
223.14841	3.2
225.12761	3.9
225.16382	4.6
226.13535	2.3
227.14320	3.3
229.15877	3.0
231.11597	1.7
233.13290	3.1
233.15382	3.3
234.13986	1.5
234.16130	22.1
235.14732	3.5
237.12793	3.3
237.16321	2.4
239.17912	2.3
241.15933	2.6
243.13860	2.8
245.15448	2.3
247.14809	2.4
247.16971	28.4
248.17560	4.1
249.16481	3.2
251.14310	2.6
252.15121	1.5
253.15863	3.2
257.15173	1.9
259.16959	4.8
265.15851	3.0
267.17371	2.7
269.15338	2.2
271.16980	4.2
272.17706	2.3
273.18515	3.7
274.19348	16.5
279.17459	3.6
281.18994	2.3
285.18524	3.8
286.19241	3.9
287.20078	13.1
293.18912	2.2
297.18515	2.7
298.19125	2.5
299.20044	19.7
300.20639	3.4
307.20523	3.6
310.19406	2.6
311.19980	3.8
312.20844	7.8
313.21600	6.9
325.21729	14.7
327.23035	3.9
337.21457	5.4
339.23148	6.2
340.24026	22.5
351.23157	3.2
352.23965	28.9
353.24600	1.8
365.24850	6.4
366.25336	5.3
377.24762	1.8
379.26239	4.2
387.25177	5.8
390.25443	1.6
391.26239	3.9
392.26672	3.6
400.26187	2.3
402.27774	1.7
413.26913	4.2
419.29510	10.6
420.29968	3.7
425.26764	8.6
426.27539	7.4
427.28537	18.0
440.29214	52.2
442.30676	4.1
453.30432	1.6
505.32889	2.1
508.35287	5.4
520.35455	34.1
521.36139	3.3
585.39160	4.9
600.41467	25.6
601.42511	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04062	1.9
53.03949	3.7
55.05500	10.7
57.07080	12.2
59.04996	5.1
65.03923	4.0
67.05510	21.7
69.03436	15.2
69.07064	16.7
70.09172	9.1
71.04989	2.7
77.88312	2.0
79.05496	27.8
81.07063	32.1
83.04971	13.5
83.08618	6.6
84.84287	1.9
85.06544	7.1
91.05487	44.6
93.07045	62.9
95.04961	19.1
95.08610	32.3
96.96285	2.0
97.06519	8.2
98.20815	4.0
98.21425	5.0
103.05479	4.3
105.07029	79.8
106.07822	3.9
107.04970	4.9
107.08595	54.1
108.05704	2.9
109.06515	19.4
109.10143	15.9
111.08077	6.1
115.05458	9.2
117.07012	23.1
119.08582	74.6
120.09420	2.5
121.06516	15.2
121.10142	42.3
122.07314	2.4
123.08057	35.5
123.11725	4.1
124.54948	2.3
125.05989	4.3
125.09627	8.6
128.06223	15.9
129.07025	23.3
130.07767	7.6
131.08566	41.0
132.09355	4.3
133.06471	8.0
133.08607	3.0
133.10133	44.6
135.08044	25.4
135.11690	10.2
137.05939	3.1
137.09587	15.1
139.07545	4.6
141.07008	9.3
142.07784	31.1
143.08559	51.5
144.09325	14.8
145.06517	5.4
145.10129	63.7
147.08064	32.6
147.11693	10.7
149.09616	17.9
151.07562	19.5
153.09103	2.5
155.08560	19.4
155.10602	2.3
156.09340	17.8
157.10129	77.7
158.07199	2.3
158.10902	11.9
159.08051	17.7
159.11696	39.1
160.08742	2.9
161.09622	27.1
161.13252	8.6
163.11177	21.3
165.06975	6.3
165.09116	43.9
166.07753	2.2
167.08571	7.4
167.10760	13.3
168.09322	7.1
169.10136	27.1
170.10886	13.5
171.08066	3.2
171.11696	37.6
172.08904	4.4
172.12456	7.2
173.09676	12.3
173.13228	13.4
175.11179	32.1
175.14816	4.9
176.11841	2.5
177.09108	5.0
177.12755	4.1
179.08578	9.1
179.10649	5.0
180.09352	4.9
181.10153	16.3
181.12227	10.4
182.10947	10.7
183.11703	24.1
184.12442	5.1
185.09654	7.3
185.13271	18.7
186.10385	4.1
186.14018	3.4
187.11249	12.9
187.14835	4.4
188.11937	3.0
189.12724	16.9
190.13559	13.6
191.10669	4.0
191.14238	2.8
192.09294	4.3
193.10425	13.1
193.11954	13.2
194.10905	7.9
195.07993	2.1
195.11703	23.2
195.13522	3.5
196.12450	4.7
197.09596	7.8
197.11664	4.0
197.13258	20.5
198.13901	3.0
199.11127	10.7
199.14799	8.9
200.11916	2.9
201.12759	9.4
203.14346	32.7
205.10248	3.6
205.12077	2.3
206.10909	5.0
207.11720	14.5
207.13817	18.2
208.12512	6.1
208.14584	10.2
209.09618	3.4
209.13263	21.5
209.15341	5.3
210.14047	5.8
211.11230	7.7
211.14766	15.0
212.11935	3.4
213.12718	12.7
213.16298	3.1
215.10712	4.3
215.14278	5.5
217.10155	2.8
217.12166	3.1
217.15953	3.4
219.11678	6.1
219.13855	5.6
220.12476	5.8
221.13283	10.9
221.15346	89.9
222.13907	3.2
223.11235	5.1
223.14886	12.0
225.12729	9.4
225.16316	5.3
227.14366	6.0
229.12213	3.9
229.15855	5.3
230.10989	2.4
231.11670	3.0
232.12456	3.3
233.13243	6.0
233.15417	25.4
234.14008	3.1
234.16150	11.5
235.14857	8.2
237.12714	5.2
237.14702	33.4
239.14334	4.3
239.18102	2.8
241.15958	4.0
243.13858	4.1
245.13181	3.9
246.14021	6.0
247.14725	7.5
247.17003	10.3
248.14011	15.3
249.16420	7.9
251.14224	4.0
253.15826	6.7
255.17493	26.1
259.14679	4.0
261.16370	10.3
263.14032	3.1
267.17419	2.8
269.19028	3.6
270.19943	6.3
271.16907	6.3
273.16205	2.9
273.18781	3.0
274.19315	15.2
275.17990	3.6
279.17499	6.2
281.18951	4.7
285.18533	6.8
286.19354	17.1
287.20190	12.2
294.19864	9.0
295.20645	3.3
297.18521	2.8
299.20135	15.9
300.21164	2.5
303.19553	55.7
307.20633	3.5
309.18500	2.7
310.19412	3.0
312.20804	6.4
313.21738	13.4
319.20557	3.3
325.21616	16.0
331.20462	2.7
337.21512	11.0
345.22089	2.6
347.23425	2.9
349.21344	2.4
352.23962	100.0
353.24744	3.4
365.24643	21.2
377.24780	6.9
383.25757	5.0
399.25681	3.8
420.30203	3.4
454.30884	3.1
487.32278	4.8
490.34598	2.4
502.34320	11.4
503.35156	9.5
505.33099	3.9
507.34482	11.2
508.35471	3.0
520.35529	46.4
582.40784	3.1
585.39240	6.2
600.41888	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06730	3.9
53.03919	5.2
55.01878	6.5
55.05522	21.1
57.07073	19.1
59.05006	7.1
67.05499	28.1
69.03424	18.3
69.07064	19.1
70.01070	12.8
71.04986	12.4
79.05489	29.5
81.07066	36.3
83.04986	11.3
83.08617	30.9
85.06548	6.9
87.04475	6.9
89.06027	21.1
91.05486	45.5
93.07040	61.1
95.04983	21.0
95.08612	29.2
97.06561	30.1
98.21207	13.1
105.07037	70.8
106.07349	5.5
107.08598	43.8
109.06513	13.5
109.10163	22.7
111.08081	12.7
113.09671	13.2
115.05503	6.2
117.07042	20.2
119.08586	64.3
121.06499	16.0
121.10146	34.7
123.08067	22.4
125.09615	8.0
128.06303	10.3
129.07056	21.2
130.07779	5.3
131.08600	38.0
132.09285	4.8
133.06500	8.0
133.08617	10.2
133.10133	36.9
135.08049	24.9
135.11697	10.7
137.09601	16.0
139.11172	19.7
141.07082	7.8
142.07790	14.0
143.08614	34.2
144.09329	15.2
145.06534	24.0
145.10121	55.1
147.08054	32.2
147.11702	16.6
149.09625	9.0
151.07544	15.8
155.08575	15.7
155.10681	11.7
156.09328	10.3
157.10117	43.1
158.10728	6.5
159.07999	23.1
159.11723	31.2
160.08856	100.0
161.09644	11.7
161.13309	5.5
163.11218	12.9
165.09135	45.1
166.09407	7.2
167.08658	5.4
169.10159	17.1
170.10928	6.6
171.11732	26.4
172.12480	7.1
173.09683	12.8
173.13266	10.5
175.11255	14.2
177.11305	5.0
179.08592	7.1
179.14301	8.8
181.10156	11.4
181.12254	42.0
183.11719	19.1
185.09621	4.7
185.13293	22.1
187.11218	10.7
189.12799	8.1
190.13638	7.8
191.14377	6.7
193.10178	8.3
193.12241	9.4
194.10927	4.8
195.11646	13.6
195.13905	5.0
197.09500	5.1
197.13342	20.9
198.14134	4.6
199.11264	6.9
199.14864	5.9
200.12163	5.1
201.12740	8.3
203.14365	17.4
207.11794	9.1
207.13782	8.4
208.12520	5.8
208.14577	10.5
209.13341	20.8
211.14830	11.8
213.12677	7.9
219.13904	8.4
221.13374	9.5
221.15352	93.1
222.15782	23.2
223.14841	12.2
224.15257	6.3
225.12746	8.9
233.13223	6.7
233.15411	7.9
234.16158	19.1
235.14786	9.8
237.12769	5.0
239.14638	5.3
247.17027	19.1
249.16490	7.2
259.17059	11.0
267.17499	5.7
271.17078	8.4
273.18500	7.2
273.87756	4.7
274.19223	9.0
283.26370	17.1
285.18765	5.7
286.19333	23.0
287.19998	14.3
297.18549	5.6
298.19177	7.7
299.19998	25.6
300.20670	14.2
306.29221	4.2
311.20197	7.7
312.20688	12.2
313.21555	12.9
325.21701	13.4
337.21664	8.7
352.23950	41.6
365.24954	12.4
366.25757	4.9
374.24600	7.9
419.29727	6.6
440.29260	38.8
455.53583	4.4
520.35535	28.7
600.41486	42.1
600.55853	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84904	1.2
53.03937	2.3
54.44456	1.3
55.05516	6.3
57.07077	10.0
59.04999	3.3
62.05830	1.3
67.05505	7.3
67.47736	1.1
69.03429	9.0
69.07064	5.5
78.04689	1.3
79.05489	12.1
81.03410	1.6
81.07063	16.9
83.04980	6.4
83.08605	2.4
84.29488	1.3
85.06543	4.4
89.06031	3.3
91.05488	23.7
92.06268	2.6
93.07040	29.4
95.04971	10.7
95.08601	16.2
97.06523	5.4
98.21111	8.3
103.05470	1.9
105.07033	45.4
106.07865	1.8
107.08592	21.3
109.06522	10.2
109.10154	3.3
111.04446	1.4
111.08068	2.9
115.05436	3.6
116.06249	1.4
116.87043	1.4
117.07017	13.6
119.04932	2.4
119.08588	53.0
120.09415	2.4
121.06544	7.7
121.10138	18.5
123.08064	17.1
125.05987	9.5
128.06241	3.2
129.07005	10.9
130.07767	4.2
131.08569	21.5
132.09357	3.9
133.06503	3.2
133.08571	2.1
133.10124	19.8
134.10889	2.0
135.08064	16.8
135.11690	6.7
137.05974	3.6
137.09618	11.5
139.07585	2.7
141.07014	3.0
142.07794	9.9
143.08557	20.3
144.09357	7.2
145.06552	2.3
145.10126	37.6
147.08049	29.5
147.11674	7.5
148.08806	2.3
149.09618	13.0
151.07561	11.5
151.11171	2.5
153.09103	1.3
155.08525	10.5
156.09366	8.5
157.10123	28.2
158.10902	5.5
159.08003	8.0
159.11685	21.2
160.08730	1.9
160.12448	1.6
161.09636	8.6
161.13249	8.1
162.10405	2.0
163.11192	20.3
164.11960	1.3
165.07022	2.7
165.09123	48.1
166.09473	1.4
167.08588	4.0
168.09349	4.7
169.10115	16.5
170.10909	4.9
171.08119	2.5
171.11699	17.5
172.12376	3.0
173.09645	9.7
173.13226	8.2
174.10406	1.5
175.11191	20.8
175.14786	2.8
177.09105	2.5
177.12759	2.5
178.09819	3.8
179.08629	2.9
179.10625	2.4
179.14267	1.2
180.09297	2.7
180.11462	2.9
181.10164	5.2
181.12242	20.2
182.10902	5.2
183.11707	15.6
184.12463	1.7
185.09647	4.8
185.13275	8.7
186.10431	1.7
186.13771	1.9
187.11168	6.7
187.14810	4.1
188.11986	1.6
189.12744	9.7
190.13545	10.6
191.10713	4.9
191.14291	1.5
193.10146	4.2
193.12247	16.0
194.10936	3.9
195.11697	11.8
195.13527	2.8
196.12489	3.7
197.09602	4.3
197.13266	11.0
198.10396	2.3
198.13902	2.1
199.11205	7.1
199.14804	4.4
200.11919	2.0
201.12750	9.3
203.14311	21.3
207.11681	5.8
207.13802	10.6
208.12500	3.3
208.14584	10.5
209.13284	7.8
209.15042	1.7
210.10445	2.3
210.14063	1.5
211.11197	4.3
211.14825	7.4
212.11871	2.8
212.15552	2.0
213.12781	6.4
213.16431	1.5
215.14301	4.1
216.15080	1.9
217.10182	1.7
218.10797	1.5
219.11874	2.3
219.13727	8.0
221.13387	4.6
221.15358	100.0
222.15675	3.7
223.11163	2.6
223.14879	4.1
225.12741	4.6
225.16371	4.4
226.13454	1.5
227.14252	3.1
229.12268	2.0
229.15985	2.2
231.13802	2.8
233.13309	2.7
233.15414	4.6
234.16144	24.1
235.14798	3.5
237.12743	3.4
237.16501	3.1
239.14351	3.0
239.17986	1.5
241.15875	4.4
243.13766	2.8
245.13187	1.9
247.14705	1.9
247.16925	31.5
248.17488	3.2
251.14418	2.0
251.17926	1.7
253.15919	2.7
253.19603	1.4
254.16592	1.5
257.15323	2.8
259.17059	6.4
260.17932	1.4
261.18634	2.4
263.14374	2.0
263.17859	2.1
265.15833	1.9
267.17416	3.1
269.15347	2.4
271.16904	5.0
273.18622	2.3
274.19321	14.4
279.17471	2.6
281.18927	2.0
285.18539	3.9
286.19272	5.2
287.20139	11.1
291.17557	1.6
293.19089	1.8
297.18484	3.5
297.21674	1.2
299.20078	15.6
300.20822	2.7
307.20752	3.0
309.18475	1.4
310.19302	2.0
311.20071	5.3
312.20868	8.0
313.21506	6.7
319.20547	2.0
325.21582	14.8
326.22314	1.5
327.23187	2.8
337.21542	4.5
339.23059	6.7
340.23950	18.6
352.23953	31.7
353.24643	2.2
363.23132	1.5
365.24661	4.8
366.25543	3.5
377.24658	2.8
379.26266	6.2
387.25290	7.1
390.25369	2.1
391.26282	4.4
392.27039	3.2
400.25946	3.6
402.27692	2.7
405.27866	1.8
411.25677	1.3
413.26675	4.9
419.29388	11.8
420.30072	4.3
425.26929	9.4
426.27618	4.6
427.28519	16.2
439.28110	1.7
440.29193	54.8
441.29437	2.1
442.30646	4.3
454.30600	2.4
493.32959	1.6
508.35199	5.4
520.27527	2.0
520.35522	32.8
521.35876	4.1
585.39264	5.5
600.41632	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.05511	20.3
56.82608	4.2
57.07079	9.9
57.17008	4.3
59.95506	4.2
64.12373	4.3
65.03951	5.5
65.09590	4.2
67.05492	19.1
69.03419	15.1
69.07053	16.0
69.76537	22.0
70.78101	5.4
79.05502	30.8
81.07052	34.6
83.04977	13.1
85.06548	8.4
91.05483	58.7
93.07053	65.3
95.04980	21.4
95.08601	34.1
97.06517	9.1
98.20845	9.3
98.21462	6.2
105.07039	91.5
107.08598	59.4
109.06493	24.7
109.10153	16.0
111.08038	4.8
115.05483	7.3
117.07033	20.7
119.08590	84.3
120.09412	4.9
121.06515	12.9
121.10153	46.9
123.08074	32.5
123.11739	5.6
125.05984	5.8
125.09680	7.6
128.06215	16.8
129.07025	19.8
130.07793	11.7
131.08568	38.7
132.09221	4.8
133.06502	9.5
133.10109	41.3
135.08066	32.4
135.11687	14.3
135.32860	4.0
137.09612	16.6
141.07019	6.9
142.07779	31.5
143.08543	55.3
144.09294	20.2
145.06523	6.9
145.10127	66.4
147.08011	34.8
147.11702	11.6
149.09662	21.8
151.07555	12.3
151.11214	5.5
153.06941	4.0
155.08540	18.8
156.09370	21.8
156.90601	4.4
157.10139	79.8
158.10895	13.0
159.08041	25.1
159.11670	31.8
160.08910	4.8
161.09628	21.0
161.13197	9.4
163.11174	24.6
165.06989	8.6
165.09105	42.7
167.08542	9.3
167.10684	12.0
169.10155	25.6
170.10948	11.3
171.11722	36.5
172.08746	4.7
172.12498	7.5
173.09607	11.4
173.13263	16.6
175.11183	28.6
177.09073	4.4
179.08569	17.4
179.10640	7.2
179.12164	4.0
180.09308	7.0
181.08696	4.1
181.10168	21.3
181.12215	9.6
182.10870	9.7
183.11739	24.3
184.12576	5.6
185.09534	5.4
185.13263	21.5
187.11194	8.4
187.14740	4.6
189.12790	15.2
190.13446	8.9
192.09280	6.2
193.10170	17.2
193.12257	18.6
194.10857	5.3
195.11703	29.3
195.13594	6.3
196.12508	8.9
197.13269	25.6
198.10374	5.0
198.14035	4.6
199.11128	8.2
199.14812	4.6
201.12816	9.1
203.14311	28.1
205.10075	5.7
206.10905	7.2
207.11707	22.5
207.13763	18.3
208.12564	4.1
208.14473	10.2
209.13292	19.3
209.15286	5.6
210.10506	4.7
210.14026	6.9
211.11171	7.6
211.14801	16.7
212.12012	5.6
213.12733	11.8
213.16342	4.4
215.14333	7.5
217.10095	3.9
218.16542	6.6
219.11725	5.3
219.13857	8.8
220.12389	7.8
221.13248	17.2
221.15343	87.0
222.14027	5.3
223.14781	10.2
225.12708	9.5
225.16391	11.1
227.14307	6.1
231.13892	4.6
233.13333	7.3
233.15306	21.7
234.16096	11.9
235.14793	10.8
237.12708	9.1
237.14645	29.0
241.15962	6.6
245.46611	4.6
246.14037	5.7
247.14763	5.4
247.16983	11.9
248.14075	10.4
249.16449	9.8
250.80840	4.3
252.14832	3.8
253.15938	8.0
255.17505	30.1
261.16394	7.7
269.19040	4.2
270.19913	4.5
271.16953	6.1
273.16248	5.2
273.18848	5.6
274.19540	9.4
275.17789	6.2
279.17291	7.4
281.19043	6.2
285.18646	7.0
286.19330	16.4
287.19962	12.1
294.19803	8.6
295.20218	5.9
297.18784	5.9
299.20026	12.3
303.19611	64.3
312.20911	10.1
313.21652	13.8
325.21558	15.6
337.21555	9.1
352.23938	100.0
353.24762	4.7
365.24713	28.7
377.24689	10.3
383.25439	6.1
487.32339	4.8
502.34241	15.1
503.35266	6.3
507.34399	10.8
508.34738	6.9
520.35522	48.5
600.41724	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.05502	9.0
55.83104	2.7
57.07064	13.5
67.05511	16.5
69.03409	10.6
69.07070	11.1
71.58212	3.4
71.58662	2.9
79.05502	14.7
81.07063	24.5
83.04972	10.8
83.08609	8.0
85.06541	7.4
89.06016	11.8
91.05473	29.9
93.07058	39.6
95.04965	12.1
95.08617	24.3
97.06506	5.2
105.07036	60.6
107.04949	3.8
107.08583	26.7
109.06521	12.7
109.10152	12.9
115.05386	4.0
117.07018	15.3
119.08586	70.2
121.06477	7.3
121.10145	26.1
123.08068	16.9
125.06000	9.6
128.06223	4.5
129.06999	13.1
131.08580	27.7
133.06503	6.1
133.08600	9.4
133.10127	20.9
134.10945	4.1
135.08051	17.5
135.11711	7.3
137.09607	14.9
141.06992	5.0
142.07776	12.7
143.08601	20.1
144.09280	8.4
145.10123	45.3
147.08046	30.7
147.11629	5.0
149.09596	11.7
151.07555	14.3
155.08553	11.9
156.09380	10.0
157.10153	28.5
158.10892	10.9
159.08057	9.7
159.11710	23.8
161.09642	12.7
161.13231	6.6
161.14594	2.9
163.11172	19.7
165.09113	47.8
167.08615	5.3
168.09224	3.1
169.10127	14.3
170.10858	7.0
171.07988	4.3
171.11729	25.7
172.12457	4.4
173.09644	7.5
173.13245	11.0
175.11218	20.6
175.14848	3.3
177.09190	6.5
177.11208	5.2
179.08502	3.5
180.11481	4.0
181.10117	7.6
181.12241	20.9
182.10889	3.9
183.11725	18.1
184.12589	3.6
185.09659	4.9
185.13237	13.4
187.11113	8.3
187.14845	6.5
189.12740	10.8
190.13567	13.3
191.10629	7.1
193.10216	3.0
193.12274	16.3
194.10988	3.5
195.11761	9.0
196.12456	3.8
197.09511	3.8
197.13284	13.6
199.11197	6.2
201.12827	9.2
203.14305	18.6
207.11801	6.8
207.13805	10.2
208.12619	3.1
208.14545	12.8
209.13222	14.1
209.15057	3.2
211.14815	4.1
213.12810	5.4
215.14220	4.3
219.13779	6.6
221.13484	3.9
221.15358	100.0
223.14847	6.5
227.14366	5.3
229.15933	4.0
233.15353	3.6
234.16115	24.8
237.12723	3.8
239.14316	3.6
240.18816	3.7
247.14752	4.5
247.16980	29.0
251.14224	3.7
259.17075	6.4
269.15356	3.5
271.16922	4.3
274.19296	15.9
278.63544	3.0
279.17374	4.0
285.18546	3.2
286.19406	5.6
287.20056	11.4
297.18582	4.2
298.19324	4.5
299.20084	16.6
300.20734	3.2
311.20026	3.7
312.20877	6.8
313.21494	8.3
325.21664	17.0
337.21790	7.3
339.22980	7.1
340.24011	22.4
352.23956	47.2
365.24600	8.2
379.26001	4.2
387.25320	6.1
392.26758	4.7
400.26208	4.7
413.26822	5.6
419.29468	10.1
420.30136	5.4
425.26764	10.7
426.27618	4.3
427.28281	13.1
440.29193	52.6
442.30350	3.9
507.34299	4.0
508.34933	8.4
520.35413	39.3
521.35614	3.5
585.39014	5.1
600.41693	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.4
55.05512	12.3
57.07068	12.1
59.05001	4.0
67.05506	30.7
69.03429	15.8
69.07062	14.6
69.56735	6.4
69.57143	17.4
72.52016	3.8
79.05493	33.1
81.07061	35.1
83.04971	20.0
83.08621	11.7
84.78777	3.9
85.06540	6.9
91.05483	59.3
93.07048	69.9
95.04967	20.5
95.08610	38.2
97.06531	10.7
98.21280	11.1
98.31313	3.4
103.05447	3.6
105.07033	93.2
107.04955	4.2
107.08598	54.8
109.06525	24.5
109.10168	18.3
111.08083	3.7
115.05453	4.1
117.07011	22.3
119.08589	77.8
120.09361	4.6
121.06522	15.3
121.10145	56.9
123.08068	27.1
123.11736	4.1
125.05979	6.4
125.09659	5.5
126.45355	3.5
126.50673	3.2
128.06245	15.0
129.07010	26.5
130.07832	8.5
131.08566	47.1
133.06487	7.9
133.10126	37.5
135.08052	26.7
135.11710	12.2
137.06000	7.2
137.09630	13.9
141.07002	8.6
142.07790	34.2
143.08578	57.4
144.09338	14.3
145.06467	3.9
145.10126	61.7
147.08054	36.9
147.11707	14.2
149.09612	20.8
151.07558	21.8
151.57243	3.4
153.06995	4.1
154.07784	4.3
155.08597	19.3
156.09334	24.0
157.10149	75.6
158.10898	10.8
159.08072	17.7
159.11702	38.0
160.08881	8.1
161.09636	25.4
161.13261	9.8
163.07545	4.3
163.11234	23.0
165.06979	11.2
165.09117	54.0
167.08549	8.9
167.10704	16.4
168.09326	4.3
169.10165	28.8
170.10947	10.3
171.08076	4.2
171.11702	36.0
172.12541	10.7
173.09676	10.0
173.13211	16.7
175.11230	28.7
175.14821	5.1
177.09146	4.2
177.12831	7.6
179.08614	11.5
179.10785	4.0
180.09300	4.8
180.11476	3.5
181.10100	21.5
181.12239	10.2
182.10898	9.0
183.11699	28.2
184.12468	6.9
185.09605	8.2
185.13315	24.1
186.10663	4.4
187.11183	13.2
187.14842	6.3
189.12781	19.9
190.13470	7.3
191.14323	7.6
192.09373	5.2
193.10135	13.6
193.12236	11.7
194.10835	9.2
195.11722	23.1
195.13431	3.8
196.12489	7.7
197.09758	4.8
197.13295	21.2
198.10400	4.3
199.11195	10.3
199.14825	6.4
200.11914	4.3
201.12724	6.0
203.14326	31.1
205.10170	6.6
206.10785	5.0
207.11722	21.1
207.13553	21.9
208.12617	8.1
208.14682	10.9
209.13287	15.4
211.11226	8.1
211.14790	11.8
212.12061	4.5
213.12727	11.4
215.10767	4.0
215.14392	4.9
218.10872	4.8
219.11778	7.3
219.13785	8.4
221.13268	9.2
221.15341	86.2
223.11203	5.7
223.14896	11.0
225.12711	5.0
225.16476	6.1
227.14294	5.3
229.12337	4.5
229.15849	5.4
232.12476	3.9
233.13281	8.9
233.15395	20.6
234.16154	16.9
235.14882	9.0
237.12685	6.1
237.14746	37.3
245.13277	5.7
247.14832	8.2
247.17023	10.6
248.14081	9.0
249.12718	3.9
249.16426	11.1
250.15520	3.7
251.18129	5.8
253.15971	6.2
255.17473	23.9
259.16940	4.8
261.16473	9.0
267.17365	3.8
269.19031	4.1
270.19702	4.7
271.17065	8.3
274.19330	15.6
279.17456	9.6
281.19012	7.9
285.18613	7.3
286.19382	17.0
287.19980	13.8
294.19785	10.2
295.20465	5.3
297.18530	6.5
298.19165	4.6
299.20087	13.6
300.11465	4.2
303.19562	56.7
309.18719	4.6
310.19040	4.0
313.21729	12.0
325.21613	15.3
337.21576	14.4
352.23975	100.0
365.24747	22.1
377.24695	5.8
461.71930	3.7
487.32434	4.5
502.34290	11.2
503.35059	6.6
505.33118	6.6
507.34464	9.7
508.35159	4.2
520.35498	43.2
585.39288	5.0
600.41400	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69191	2.4
53.03950	5.7
55.01876	3.9
55.05511	10.5
57.07071	11.3
59.05009	3.1
65.03922	3.2
67.05508	22.4
67.73239	2.3
69.03422	14.3
69.07056	13.4
69.50962	17.3
79.05489	33.3
80.06319	3.2
81.07050	30.3
83.04980	14.3
83.08633	7.8
85.06544	6.8
89.05988	2.5
91.05482	50.4
91.06012	4.8
93.07044	59.6
95.04971	20.9
95.08620	32.0
96.05786	3.1
97.06529	8.7
98.20740	5.2
98.21329	7.0
103.05478	3.7
105.04542	2.4
105.07031	88.0
107.04971	5.5
107.08596	48.7
109.06541	22.4
109.10152	17.0
111.08072	5.3
115.05453	4.2
117.07002	20.4
119.08587	91.0
120.09409	3.5
121.06469	12.7
121.10145	50.8
123.08055	30.1
123.11701	4.3
125.06015	4.9
125.09643	3.6
128.06229	16.0
129.07024	23.2
130.07825	6.8
131.08572	42.8
132.09335	3.0
133.06505	7.8
133.08617	2.5
133.10141	42.5
135.08047	25.1
135.11682	14.2
137.05991	4.7
137.09610	15.4
141.07022	9.6
142.07790	28.4
143.08553	55.5
144.09348	11.0
145.10121	60.3
146.07239	3.6
146.10889	5.6
147.08052	29.6
147.11679	14.0
148.08801	3.8
149.09634	21.4
151.07541	20.3
153.07022	3.2
155.08553	16.0
156.09366	19.7
157.10136	72.7
158.10904	11.5
159.08083	18.5
159.11668	36.7
161.09633	21.4
161.13283	9.9
163.11183	18.6
165.06985	6.8
165.09113	47.2
167.08574	7.4
167.10739	7.6
168.09346	7.3
169.10120	28.0
170.10927	14.1
171.08110	5.7
171.11690	36.6
172.08914	3.2
172.12463	10.3
173.09665	10.9
173.13258	14.1
175.11179	27.0
175.14818	5.3
177.09161	3.9
177.12764	4.9
178.09805	2.8
179.08589	10.2
180.09344	4.8
181.10123	13.5
181.12131	12.2
182.10899	10.9
183.11713	22.4
185.09676	7.5
185.13268	18.0
186.10454	3.2
186.14006	4.5
187.11209	8.7
187.14853	4.5
189.12796	13.3
190.13507	12.5
191.10611	3.2
191.14307	5.2
192.09355	3.4
193.10124	14.3
193.12265	10.9
194.10953	11.2
195.11699	27.1
195.13545	3.6
196.12503	8.8
197.09622	5.0
197.11748	3.3
197.13258	20.5
199.11179	10.4
199.14870	6.3
200.11981	2.9
201.12764	9.9
203.14302	30.7
205.10274	3.2
205.12262	2.3
206.11055	5.4
207.11670	14.2
207.13814	15.6
208.12482	10.9
208.14618	9.0
209.13278	19.3
209.15300	5.0
210.14064	5.3
211.11205	6.7
211.14816	13.3
212.11934	2.8
213.12767	12.9
213.16451	3.4
215.14328	3.7
219.11729	6.8
219.13870	7.0
220.12567	6.0
221.13335	11.5
221.15358	100.0
222.14085	3.5
223.11237	5.0
223.14870	7.9
225.12794	8.5
225.16423	9.1
227.14320	3.0
231.11732	4.7
233.13171	8.3
233.15393	15.3
234.14111	2.9
234.16153	14.9
235.14861	9.7
237.12700	5.6
237.14693	35.7
237.16933	2.5
239.14323	6.1
241.16122	2.8
243.13863	3.9
246.14059	4.1
247.14847	4.7
247.17012	8.4
248.14041	11.0
249.16476	9.2
251.14275	4.7
253.15855	6.5
255.17473	21.4
259.14764	3.1
259.17160	5.0
261.16376	8.3
263.14081	2.8
267.17310	2.7
268.18237	4.0
269.19067	3.9
270.19812	8.6
271.16977	5.2
273.18634	4.2
274.19293	23.8
279.17453	5.1
281.19043	7.9
283.20529	2.7
285.18573	6.9
286.19302	14.3
287.20114	8.4
289.19278	3.4
294.19745	5.2
295.20535	3.7
297.18564	6.8
298.19550	3.2
299.20102	17.3
303.19522	47.6
307.20761	3.3
308.21802	2.6
309.18570	3.4
311.20261	3.6
312.20782	6.0
313.21671	22.7
319.20755	3.6
325.21735	16.3
337.21603	11.7
352.23978	95.5
359.23828	3.9
363.22992	2.6
365.24872	20.3
377.24896	6.1
383.25940	5.4
406.17697	2.6
409.28540	2.7
420.30167	4.6
502.34372	15.0
503.34979	7.5
505.33063	7.6
507.34689	10.8
510.65234	2.6
520.35443	44.6
521.35260	2.6
567.37506	2.8
582.40350	4.3
583.40735	4.8
585.39368	4.2
600.41852	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	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68885	0.3
54.63390	0.3
64.12743	0.3
69.03413	0.6
85.02892	1.7
91.05465	1.7
93.11404	0.3
95.49760	0.3
97.02869	0.7
104.49626	0.3
105.07021	0.4
107.04964	0.4
109.02899	0.4
115.05441	1.2
116.06236	0.4
117.07001	1.0
117.96676	0.3
127.03902	0.7
128.06242	1.7
129.06998	4.7
131.04906	0.4
131.08585	5.0
132.05672	0.3
133.06427	0.9
133.10127	0.4
140.07007	0.8
141.06993	1.8
142.07780	0.7
143.08568	1.2
144.05675	1.6
145.02847	0.8
145.06473	1.2
146.07254	0.6
147.04433	0.6
153.01845	1.5
153.06982	0.8
157.06485	2.4
158.07236	0.7
159.08055	10.1
161.05965	0.7
161.09604	2.7
167.07086	0.5
169.06419	0.5
169.07677	0.8
170.07304	1.9
171.08034	2.0
172.05162	0.8
173.05977	1.5
174.06682	0.8
175.07536	1.0
177.05476	1.1
178.05872	0.5
185.06017	0.4
187.07556	7.4
188.08299	0.4
189.05418	0.4
189.09105	3.6
191.07010	0.4
197.19440	0.4
198.06815	0.9
199.07579	1.0
201.05472	0.5
203.07008	1.5
204.07826	4.8
205.08673	0.8
216.07826	1.5
217.08546	0.4
218.09328	0.6
219.10149	2.0
221.11743	1.2
231.10185	3.0
234.09023	0.5
234.11263	0.5
237.11258	1.0
243.95584	0.4
249.11227	100.0
250.11644	0.8
256.99673	0.3
257.63516	0.3
267.12308	3.2
267.60825	0.3
270.00873	0.3
314.90543	0.4
396.60690	0.4
398.87729	0.4
414.95880	0.6
600.28375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72786	0.4
67.20431	0.5
69.03413	0.8
70.14732	1.8
70.76727	0.4
71.78279	0.4
80.26461	0.4
82.49676	0.4
91.05494	1.4
98.21099	1.2
107.04962	1.2
115.05441	1.0
117.06996	1.0
128.06252	1.8
129.07014	4.9
131.08569	5.8
133.04984	0.5
133.06508	0.8
137.05994	0.7
141.06998	1.5
142.07726	0.7
143.08566	1.1
144.05727	2.1
145.06491	1.9
146.07246	1.1
147.04362	0.5
153.01794	1.1
153.06979	0.9
157.06470	3.4
158.07275	0.9
159.08057	10.7
161.05977	0.9
161.09607	2.8
167.07069	0.7
169.06418	0.6
169.07701	0.8
170.07228	2.1
171.08034	1.9
172.05147	0.8
173.05971	1.1
173.09613	0.7
175.07587	1.2
178.55887	0.5
181.08580	0.7
185.06018	0.5
187.07541	8.1
188.08330	0.5
189.05540	0.5
189.09157	3.4
190.06305	0.6
191.07143	0.7
193.08682	0.5
198.06888	0.7
199.07530	1.1
201.09087	0.7
203.07054	1.0
204.07797	5.3
205.08727	0.5
206.09425	0.9
216.07877	1.5
217.08595	0.7
218.09279	0.5
219.10222	2.4
221.11754	1.6
231.10155	2.9
233.11772	1.5
237.11383	0.5
249.11238	100.0
250.11574	1.8
251.12805	2.8
267.12299	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31985	2.4
53.03960	3.6
55.05509	11.6
57.07071	8.8
59.04990	5.5
62.32932	2.1
65.03930	4.7
67.05508	21.0
69.03430	15.3
69.07072	9.8
71.05025	2.6
71.21410	2.1
71.57856	2.4
79.05495	25.9
79.71706	2.3
81.03407	11.7
81.07065	27.4
83.05001	15.7
83.08634	9.3
85.06543	7.0
88.61544	2.1
91.05484	33.1
93.07050	41.2
95.04975	21.0
95.08621	21.1
97.06522	7.2
97.10174	3.8
102.15189	2.2
105.07037	52.2
107.04980	3.9
107.08601	34.5
109.02924	3.3
109.06517	15.0
109.10169	14.2
111.04449	2.4
115.05433	2.9
117.07047	11.4
119.08583	46.2
121.06533	8.9
121.10160	35.1
123.08073	18.1
123.11718	3.8
125.05944	2.3
125.09679	11.3
128.06264	7.8
129.07042	17.0
130.07805	6.4
131.08574	24.1
132.09338	2.4
133.06540	7.6
133.10149	21.6
135.08058	19.8
135.11726	10.4
137.09644	10.1
141.06984	5.6
142.07838	12.0
143.08580	26.4
144.09378	6.5
145.06529	4.3
145.10126	35.3
147.08067	22.8
147.11725	7.4
149.09633	16.2
151.07545	16.1
151.11142	2.7
153.09047	3.3
154.07782	3.4
155.08560	12.1
156.09369	11.5
157.10118	28.4
158.10925	4.7
159.08038	14.0
159.11723	19.0
161.09718	11.5
161.13268	5.4
163.11215	9.5
165.07054	5.8
165.09132	23.2
166.07861	3.2
167.08546	7.0
167.10698	15.0
168.09415	4.7
169.10159	17.8
170.10960	5.1
171.08018	2.8
171.11702	21.0
172.12543	3.9
173.09660	7.9
173.13319	9.1
175.11234	7.6
177.09059	3.2
177.12817	5.4
179.08606	5.4
181.10213	9.7
181.12341	5.4
182.10991	8.6
183.11725	20.2
185.13321	7.5
187.11217	5.7
187.14909	4.1
189.12813	8.9
191.10696	3.4
191.14436	5.0
192.09325	4.1
193.10226	5.4
193.12393	3.5
194.10959	5.9
195.11771	14.1
195.13547	2.6
196.12573	4.4
197.09686	3.7
197.13316	12.3
199.11244	6.5
199.14909	5.4
201.12778	5.4
203.14415	10.9
206.10928	3.4
207.11772	13.5
207.13905	11.0
208.12479	4.1
209.13301	14.7
211.14790	5.2
213.12738	3.5
215.14374	4.3
219.11627	6.4
220.12514	4.8
221.13326	8.9
221.15443	45.5
223.14932	10.9
225.12737	4.0
225.16379	3.1
231.11722	3.3
231.13898	3.1
233.13289	7.1
233.15465	34.9
235.14926	4.5
237.12776	2.6
244.12807	3.1
245.13231	3.2
246.14122	2.9
247.14828	5.7
247.17036	5.1
249.16446	5.4
251.17963	5.4
263.18085	3.4
269.19067	3.9
271.14792	2.5
273.16254	3.7
275.17889	3.0
281.19165	9.7
286.19437	5.1
299.20172	7.1
321.33130	2.5
329.22372	2.5
349.14325	3.1
351.23294	3.3
365.24963	4.1
377.24860	3.1
391.26587	4.5
441.30148	4.1
489.33469	4.7
507.34705	81.1
581.39893	7.4
599.41119	100.0
600.41656	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	599.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76266	0.6
53.03934	0.7
57.03439	0.8
59.05849	0.6
69.03427	2.4
71.36722	0.6
71.56913	1.1
79.05473	0.7
81.03429	1.5
81.07035	1.8
85.02917	3.3
91.05453	0.7
94.06561	2.4
95.08618	0.7
96.03718	0.6
96.08129	1.4
97.02879	1.7
106.06568	0.9
108.04499	1.4
113.03532	1.2
122.06034	16.6
122.09636	0.7
124.07614	3.8
126.09161	4.8
127.03856	0.6
134.05959	0.8
135.08066	0.8
137.06017	0.7
138.05498	10.6
138.09100	0.8
144.08130	0.8
147.04375	1.8
149.07149	1.0
150.05502	5.1
150.09155	2.1
152.07074	18.9
153.01854	1.8
167.07072	0.7
170.33910	0.6
172.11185	0.8
174.09134	0.8
181.05048	1.0
186.12822	1.7
189.10231	2.8
199.12285	0.7
200.09386	4.1
201.10205	1.3
201.13898	1.4
202.12337	0.9
211.10802	2.8
212.09332	1.5
214.12469	1.3
215.08145	3.0
217.13341	3.4
227.08240	1.0
227.11786	10.1
227.78206	0.7
228.08781	4.7
228.12485	0.8
229.09723	1.4
229.13365	6.1
239.11784	1.7
242.10455	1.6
243.11203	1.5
244.12088	4.6
245.12883	3.5
257.12857	32.7
258.13101	0.8
275.13904	100.0
276.14322	1.9
278.11380	1.0
437.19199	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07857	1.7
53.03949	10.0
55.01879	13.1
55.05509	29.8
57.03436	14.8
57.07077	13.2
57.88416	1.6
57.98711	1.6
59.04990	4.9
62.43496	1.4
65.03939	4.1
67.05505	100.0
69.03430	31.8
69.07075	12.5
69.77061	2.6
69.77473	7.5
71.01355	5.3
71.04989	5.1
73.02883	2.8
79.05492	32.1
81.03417	62.6
81.07056	35.2
82.04199	3.1
83.04984	20.0
83.08615	13.8
85.02909	10.7
85.06526	3.2
87.72292	1.6
91.05485	32.0
93.07047	18.8
93.86552	1.7
95.04965	19.7
95.08613	13.8
97.02892	26.3
97.06522	5.5
97.10177	13.5
99.04459	6.1
101.02357	1.8
103.05477	2.2
105.07027	14.9
107.04955	5.2
107.08604	14.2
109.02892	8.3
109.06538	5.5
109.10161	60.8
111.04446	10.8
111.08080	6.2
115.05511	1.6
117.07018	6.1
119.08598	17.8
121.06503	5.6
121.10161	10.4
123.04476	2.0
123.08102	3.2
125.09621	15.9
127.03914	6.4
127.11229	4.2
129.05490	2.7
129.06987	5.7
131.08583	8.9
133.06508	1.9
133.10135	9.6
135.04422	2.4
135.08023	5.6
135.11681	4.0
137.09618	5.8
143.03453	3.8
145.10107	4.7
147.11667	6.9
149.09615	3.1
153.09047	1.9
155.10680	6.7
157.10078	4.3
159.11768	3.2
163.11206	4.9
165.12753	2.9
170.43272	2.0
171.06593	4.1
173.09526	2.0
173.11745	21.5
175.11188	5.7
183.06583	3.5
187.11176	2.0
189.11275	8.9
193.12306	8.6
199.06006	2.1
209.11720	1.9
211.13275	6.7
227.12808	7.4
229.14375	9.2
251.12918	2.8
255.15915	3.5
267.15897	2.0
271.15390	2.7
283.15387	1.9
299.14874	9.4
355.17508	4.0
371.16791	3.9
427.19751	3.8
437.24954	2.5
447.60291	1.7
455.26532	2.8
467.74402	1.8
478.81561	1.8
574.68207	2.0
581.29395	1.8
599.30695	26.9
621.60803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03953	9.8
54.90840	1.6
55.01873	12.1
55.05513	29.7
57.03440	18.7
57.07074	7.7
59.04998	4.5
65.03941	5.2
67.05507	100.0
68.05825	1.8
69.03437	30.7
69.07070	12.1
70.04198	1.9
71.01359	2.2
71.04995	10.2
73.02926	3.6
79.05498	35.4
81.03422	72.3
81.07057	46.3
83.04987	19.8
83.08621	15.9
83.81126	1.5
84.01506	1.5
85.02910	11.1
85.06546	5.3
86.12347	1.6
87.04456	1.9
91.05480	35.8
93.07043	27.5
95.04978	17.9
95.08622	18.4
97.02905	30.3
97.06509	7.7
97.10176	14.0
98.20890	7.9
99.04459	6.6
99.08061	2.0
101.02385	2.1
103.05482	1.8
105.07027	15.5
107.04951	9.8
107.08603	19.1
109.02891	10.5
109.06528	5.5
109.10158	71.8
111.04451	13.0
111.08077	6.4
113.05988	1.7
115.03946	3.5
115.05493	3.5
117.07054	7.5
119.04933	1.6
119.08586	16.1
121.06494	5.3
121.10140	9.9
123.04470	4.0
123.08096	4.9
123.11745	2.8
125.02418	2.1
125.06042	5.5
125.09639	14.2
125.80943	1.6
127.03962	9.4
127.11178	6.6
129.05469	5.1
129.07014	7.4
131.08588	7.6
133.06508	3.1
133.10112	6.3
135.08060	5.1
135.11728	6.2
137.09618	7.2
143.03384	3.4
143.08600	1.6
145.10124	6.0
147.04422	2.8
147.08083	2.7
147.11693	7.0
149.09619	5.2
150.81245	1.7
151.11192	2.8
153.05397	2.7
153.09135	2.7
153.12717	2.3
153.21350	1.5
155.10692	6.3
157.10123	4.6
159.11699	1.8
163.11211	6.5
165.12727	2.0
167.07076	2.4
171.06514	3.1
171.10135	2.4
173.04448	2.5
173.11755	22.3
175.11177	3.4
181.04974	1.7
181.12297	3.2
183.06534	3.9
189.11238	7.3
191.10681	4.1
193.12236	8.3
205.12206	2.5
209.11749	5.0
211.13313	4.7
215.14497	1.9
223.13249	2.2
227.12836	11.5
229.14262	10.0
255.15871	3.3
281.14069	1.7
283.15500	3.7
289.14359	1.8
299.14926	8.2
315.14502	2.3
353.15823	2.6
355.17398	3.2
371.17148	2.8
373.18381	2.3
383.24161	3.2
416.05725	1.8
427.19440	3.6
455.26620	2.1
580.39374	1.8
581.29779	4.3
592.42798	1.8
599.30280	24.5
599.37622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
51.30420	1.0
53.03942	4.7
54.36000	1.0
55.01876	2.7
55.05509	12.4
57.03424	2.2
57.07083	7.3
59.05004	3.2
65.03934	3.8
67.05167	1.6
67.05508	22.2
69.03427	13.5
69.07063	11.0
69.23009	1.0
71.04989	2.8
71.58105	1.8
77.03918	1.3
79.05492	19.1
81.03414	8.4
81.07059	24.9
83.04980	14.5
83.08630	6.5
85.02943	1.6
85.06539	6.6
87.04478	2.0
91.05482	30.3
93.07053	33.6
95.04982	15.3
95.08614	18.2
97.02900	3.6
97.06531	7.4
97.10167	3.3
98.21153	1.1
103.05484	2.6
105.04539	1.1
105.07033	44.9
107.04967	3.6
107.08596	36.2
109.02872	1.3
109.06521	12.7
109.10166	17.2
111.04427	2.2
111.08091	3.4
113.09672	1.4
115.05478	3.7
117.07024	12.0
119.08586	42.2
121.06509	10.3
121.10145	32.0
123.04454	1.3
123.08070	12.3
123.11712	3.3
125.05997	4.2
125.09642	9.3
127.03922	2.1
128.06236	7.3
129.05580	1.1
129.07002	11.6
130.07813	3.2
131.08566	20.0
132.05698	1.1
133.06526	5.7
133.07474	1.4
133.10130	21.2
135.08055	14.7
135.11681	8.8
137.05981	2.5
137.09619	9.3
139.07578	3.0
139.11151	2.8
141.07001	6.1
142.07802	15.0
143.08559	26.9
144.09346	8.2
145.06511	2.8
145.10124	29.6
147.08064	16.1
147.11682	7.5
149.09605	16.1
151.07549	14.8
151.11214	3.0
152.06372	1.1
153.07008	2.9
153.09109	2.5
154.07776	2.1
155.08559	11.5
155.10631	1.8
156.09369	11.7
157.10139	30.8
158.10909	4.4
159.08051	11.4
159.11696	16.1
161.09636	7.8
161.13220	5.6
163.11162	9.7
165.07030	5.0
165.09111	22.6
166.07759	1.1
167.08585	6.2
167.10674	14.9
167.14348	1.3
168.09380	3.8
169.10124	15.9
170.10933	5.4
171.08104	3.1
171.11687	21.3
172.08852	2.0
172.12503	1.8
173.09650	5.3
173.13245	11.9
175.11250	6.0
175.14848	2.8
177.09138	3.6
177.12808	2.1
179.08585	5.7
180.09370	2.5
181.10106	11.2
181.12292	4.9
182.10973	6.3
183.11685	14.3
184.12445	1.6
185.09654	3.3
185.13260	9.7
187.11214	6.3
187.14909	3.3
189.11247	2.4
189.12801	9.4
191.10643	2.2
191.14360	4.1
192.09389	3.3
192.11359	1.3
193.10178	9.5
193.12198	2.3
194.10989	4.5
195.11734	14.1
195.13524	1.5
196.12502	3.6
197.09686	1.7
197.11636	1.5
197.13263	12.8
199.11227	4.3
199.14890	4.4
201.12820	4.2
203.14310	12.0
205.10219	2.8
205.12386	1.3
206.10960	3.7
207.11758	9.9
207.13844	12.3
208.12497	4.1
209.13316	14.0
209.15399	4.0
211.11180	3.7
211.13113	1.9
211.15065	5.6
213.12820	4.7
213.16388	2.5
215.14276	5.8
217.10251	2.1
217.12344	1.4
217.15981	2.0
218.10866	1.3
219.11752	4.9
219.13681	1.6
220.12520	3.7
221.13281	8.5
221.15335	46.7
222.14096	2.2
223.11220	2.9
223.14783	7.6
225.12823	5.6
225.16426	3.2
227.14453	1.9
229.12202	2.5
229.16006	1.4
231.11691	2.7
231.13875	1.6
232.12474	2.2
233.13243	4.9
233.15346	35.6
234.13974	2.4
235.11256	1.4
235.14854	5.2
235.16928	2.3
237.12819	2.2
237.16623	3.0
239.14427	1.4
241.16005	2.1
243.11742	1.9
244.12535	2.6
245.13394	3.4
246.14207	1.6
247.14807	4.5
247.17055	3.1
248.15591	1.3
249.12794	2.2
249.16434	2.7
251.17804	1.7
253.16031	2.0
255.17355	1.3
257.19193	1.5
259.14905	3.0
260.15628	1.5
261.16394	2.8
261.18839	1.8
263.18021	2.0
265.15982	1.5
267.17511	1.5
269.19083	2.6
271.17239	1.5
273.18744	2.0
275.17847	1.8
279.17407	1.4
281.18991	9.3
283.14948	1.3
286.19415	2.4
287.20129	4.1
299.20151	4.9
309.22592	1.2
311.20230	3.1
312.20776	2.4
325.21469	1.7
331.20807	1.7
347.23846	1.4
349.21732	1.5
352.24100	2.3
363.23132	2.0
364.24048	4.7
365.24667	3.3
373.25461	2.7
377.24841	2.4
391.26398	4.0
401.26736	1.5
415.28638	2.6
441.29810	2.4
471.32303	1.5
489.33752	2.7
493.32941	1.9
507.34708	83.0
508.35220	2.5
563.38416	2.4
581.40198	5.3
589.09265	1.3
599.41003	100.0
600.41321	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99255	1.7
53.03951	3.0
54.30983	1.6
55.40671	1.6
57.03442	2.1
62.75037	2.1
69.03427	3.7
71.56635	3.1
79.01904	1.6
79.05488	3.7
81.03412	13.9
81.07041	2.1
85.02921	14.9
91.05482	2.5
95.04974	4.5
97.02872	5.1
103.05492	4.6
104.39787	1.6
105.07051	3.8
107.04958	5.9
107.08614	2.0
109.02882	2.7
115.05479	6.5
117.07063	13.5
123.04448	6.2
127.03938	3.0
131.08574	4.9
133.06506	2.3
137.05991	2.4
139.04042	2.5
144.05730	4.3
145.04933	2.1
145.05307	2.8
145.06491	30.1
147.04393	3.0
149.09590	2.2
151.03943	2.1
153.01836	5.8
155.06012	4.2
156.05716	8.1
159.08083	8.4
161.05986	4.7
167.07063	49.3
167.08421	4.1
168.07417	2.7
170.07277	2.5
171.08054	3.5
173.05988	57.4
180.08701	3.6
181.05006	2.3
183.06593	4.8
187.07541	6.8
190.06252	34.9
191.07001	3.3
193.08574	2.3
202.06294	3.4
203.07054	8.0
205.08604	100.0
206.08945	2.6
217.08615	46.8
218.09230	6.1
219.10141	5.7
223.09616	2.3
229.01704	2.1
231.10164	6.2
235.09677	32.7
247.09720	8.3
265.10696	31.6
271.09811	2.3
291.08398	2.0
291.10645	2.5
315.08667	4.0
330.11038	7.1
331.11664	4.1
336.10025	2.2
337.10666	2.1
351.12189	6.9
368.12347	2.2
383.14886	12.4
401.15991	33.2
419.17099	2.4
472.81900	2.0
586.56415	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99255	1.7
53.03951	3.0
54.30983	1.6
55.40671	1.6
57.03442	2.1
62.75037	2.1
69.03427	3.7
71.56635	3.1
79.01904	1.6
79.05488	3.7
81.03412	13.9
81.07041	2.1
85.02921	14.9
91.05482	2.5
95.04974	4.5
97.02872	5.1
103.05492	4.6
104.39787	1.6
105.07051	3.8
107.04958	5.9
107.08614	2.0
109.02882	2.7
115.05479	6.5
117.07063	13.5
123.04448	6.2
127.03938	3.0
131.08574	4.9
133.06506	2.3
137.05991	2.4
139.04042	2.5
144.05730	4.3
145.04933	2.1
145.05307	2.8
145.06491	30.1
147.04393	3.0
149.09590	2.2
151.03943	2.1
153.01836	5.8
155.06012	4.2
156.05716	8.1
159.08083	8.4
161.05986	4.7
167.07063	49.3
167.08421	4.1
168.07417	2.7
170.07277	2.5
171.08054	3.5
173.05988	57.4
180.08701	3.6
181.05006	2.3
183.06593	4.8
187.07541	6.8
190.06252	34.9
191.07001	3.3
193.08574	2.3
202.06294	3.4
203.07054	8.0
205.08604	100.0
206.08945	2.6
217.08615	46.8
218.09230	6.1
219.10141	5.7
223.09616	2.3
229.01704	2.1
231.10164	6.2
235.09677	32.7
247.09720	8.3
265.10696	31.6
271.09811	2.3
291.08398	2.0
291.10645	2.5
315.08667	4.0
330.11038	7.1
331.11664	4.1
336.10025	2.2
337.10666	2.1
351.12189	6.9
368.12347	2.2
383.14886	12.4
401.15991	33.2
419.17099	2.4
472.81900	2.0
586.56415	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	597.1815
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01876	10.5
62.33588	6.1
69.03436	12.1
71.56260	7.0
81.03419	17.0
85.02913	23.8
91.05481	10.2
93.03397	15.7
95.62490	6.6
97.02896	11.0
97.06543	15.2
105.07055	7.9
107.04965	26.3
109.02888	18.2
111.04428	6.8
119.04944	9.8
121.02908	35.3
121.06496	8.4
123.04420	14.9
127.03912	17.8
129.07065	11.0
131.04953	8.6
133.06493	6.8
135.04468	18.9
137.02339	73.8
137.05971	7.1
139.03931	15.9
143.03336	8.4
147.04420	27.7
149.02353	9.0
151.03911	14.3
153.01852	20.9
159.04486	15.3
161.02313	7.3
163.03941	10.1
165.01923	11.5
173.05977	12.4
175.00317	6.6
177.01930	14.4
187.03922	21.6
189.01854	29.5
191.03433	15.9
195.02954	42.2
201.01938	9.0
201.05428	13.3
203.03468	22.7
207.02946	45.3
215.03383	17.9
217.05026	15.9
219.02870	84.8
221.00880	7.8
221.04533	7.8
223.02466	13.4
225.03993	23.3
229.04843	14.6
231.02831	47.5
233.04443	20.5
235.02254	8.2
237.04001	31.6
243.02951	32.7
245.04468	10.6
249.03943	13.6
257.04404	15.9
261.03952	100.0
269.04443	11.2
273.03918	42.3
285.03986	63.8
289.03268	7.7
291.04932	37.1
297.03925	19.8
297.07419	13.6
299.05759	7.8
303.01547	12.3
303.04974	72.5
309.07529	16.1
315.04993	13.7
317.02850	12.5
321.05988	22.1
327.04993	52.4
327.08624	32.8
339.07938	35.3
345.06097	13.8
351.08694	22.1
363.07071	32.8
369.06158	12.0
381.09680	43.5
387.07071	11.0
393.09769	31.7
397.08606	8.1
405.08411	36.9
411.10776	12.4
415.10449	8.8
417.10257	12.7
423.10342	31.4
427.09592	7.2
429.11905	38.4
433.11218	15.1
435.11893	36.4
441.11343	31.4
447.11649	32.2
459.12616	26.6
465.13284	23.3
477.11765	11.5
483.12827	14.0
495.01880	15.5
495.12817	20.3
525.13232	10.1
543.14319	7.7
598.75183	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	597.145
Annotation	Quercetin 3-glucosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
51.91246	0.7
52.16899	0.8
55.01869	1.6
57.03448	6.4
61.02928	3.2
69.03429	7.7
71.01339	0.8
71.05017	1.0
71.15347	0.8
71.24400	1.7
73.02927	11.6
79.05477	0.9
81.03405	2.1
85.02910	12.8
97.02897	9.7
98.15130	0.8
98.20883	0.7
99.31612	0.8
105.07087	1.0
109.02862	1.4
111.00745	1.1
115.03944	4.4
121.02885	1.8
123.04472	1.2
127.03914	3.1
129.37012	0.8
133.04991	2.0
137.02345	5.8
145.04997	2.7
153.01845	6.0
163.03944	2.2
165.01855	2.3
167.07089	2.3
173.05975	1.1
173.39180	0.8
181.05019	1.2
183.03024	1.1
201.05511	2.7
229.04970	3.9
247.06042	1.4
257.04443	3.2
274.04892	0.9
285.04013	1.5
303.05011	100.0
304.05396	1.3
315.04971	8.6
319.04498	4.3
327.04904	2.0
329.06390	1.3
331.04611	2.4
339.05185	0.8
343.04449	1.2
344.89365	0.9
345.06094	7.4
353.06299	1.5
356.67557	0.8
361.05423	5.2
369.06064	3.8
381.05991	2.6
399.07214	6.4
409.22327	0.8
417.07935	2.8
417.15558	1.2
429.08176	2.1
435.09201	8.3
447.09134	1.9
465.10233	2.2
495.01733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1446
Annotation	Myricetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.12072	3.9
57.03442	22.6
61.02917	8.7
61.51509	3.6
61.87651	3.8
69.03427	26.4
70.38803	4.1
71.04988	17.1
71.23111	3.7
71.48256	7.6
73.02919	43.3
83.04967	8.3
85.02910	34.6
97.02891	19.6
111.04430	7.1
115.03944	13.4
129.05481	9.2
145.34352	3.8
147.06499	5.9
153.01874	24.1
155.12592	4.7
163.86140	4.0
165.01854	6.7
174.87086	3.7
217.05048	4.6
273.04114	4.5
278.51627	4.2
279.80096	4.0
287.05502	5.9
301.03406	4.8
314.99014	5.6
315.04984	4.0
319.04514	100.0
331.04565	40.8
332.05106	6.0
343.04523	12.7
357.06131	6.8
361.05591	95.0
369.05978	5.6
373.05560	4.8
373.36203	4.3
383.07306	5.0
385.05658	17.8
411.07123	13.2
429.08212	40.1
447.09171	17.6
465.10300	32.4
573.79517	5.0
597.14490	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	597.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
57.03422	1.6
65.03929	0.5
68.99781	1.1
71.57072	0.9
81.03430	3.2
85.02917	3.8
92.39080	0.6
95.01317	0.9
95.04966	0.6
98.20988	0.6
109.02888	8.9
111.00815	0.8
121.02929	0.7
123.04446	2.4
124.04769	0.8
126.08419	0.6
127.03928	11.1
128.04234	3.1
129.04407	0.7
133.02855	1.6
137.02325	7.8
139.03911	5.8
140.04262	2.0
141.04382	0.6
147.04457	1.4
148.04790	0.6
149.02332	0.5
151.03915	2.3
159.82376	0.5
163.03938	1.2
165.01839	5.0
166.02626	0.8
167.03421	1.5
175.03932	0.9
177.01950	0.6
179.03398	3.3
180.03769	1.0
181.06592	0.9
189.01895	1.3
193.01323	8.2
195.02904	12.3
201.01878	0.8
203.03445	2.7
204.03839	1.3
209.05972	1.1
213.05446	0.8
217.01422	1.4
219.02863	0.7
221.05960	0.8
225.05360	0.6
229.01329	1.0
231.02725	0.8
237.05487	2.5
241.04959	0.6
245.04274	0.6
246.01628	0.7
247.02417	1.5
249.05469	0.6
253.04951	2.8
255.06558	0.7
257.00836	2.7
257.04456	0.9
259.02402	0.9
265.05060	3.0
267.02997	0.7
269.04584	0.8
273.00470	3.0
275.02005	2.0
275.05637	0.9
276.05850	0.8
277.05646	1.0
281.04395	3.8
283.06046	0.9
285.00351	2.6
287.05435	2.9
288.05908	3.0
289.06036	1.7
291.03094	1.2
293.04416	3.0
299.01938	0.9
300.05942	0.7
300.99863	5.0
302.00574	5.2
303.01346	30.7
309.03946	4.2
311.05597	0.9
313.03464	0.7
315.01416	2.1
319.02377	1.5
321.03955	3.4
325.03366	0.7
337.03436	10.0
339.01254	1.0
339.05136	1.0
341.02740	1.2
347.01987	1.8
348.02029	0.7
349.03452	3.6
351.01242	1.3
353.02859	1.4
355.04575	0.9
363.01251	1.1
364.01874	0.6
365.02905	9.1
366.03625	0.6
367.04700	0.9
375.01208	1.6
377.02817	3.9
379.00809	0.7
383.03912	1.6
387.01462	1.3
389.03204	0.7
393.02386	17.8
393.07349	1.1
394.02927	0.8
395.03973	2.0
403.00882	2.3
405.02444	3.8
409.01599	0.7
420.01163	1.7
421.01904	18.3
422.02707	1.3
423.03400	1.8
427.09460	1.1
429.10538	0.7
431.00461	2.2
433.01907	1.7
439.03125	2.3
449.01437	9.3
451.03116	3.6
456.43069	0.6
467.02402	3.3
477.01056	6.2
495.01950	100.0
496.02274	2.5
519.01874	0.8
535.04901	0.7
537.03406	1.3
579.04187	2.7
597.05090	11.5
611.88745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.08125	1.8
53.03930	2.2
55.05502	4.8
57.03434	15.5
58.81734	1.9
61.85058	1.7
64.54037	1.8
69.03426	24.6
71.04993	78.2
71.36671	3.8
73.02901	7.0
74.29869	1.7
75.04480	5.3
78.30534	2.0
81.03418	3.7
83.04971	14.3
85.02908	100.0
95.04941	4.2
99.04456	2.6
107.08550	1.9
109.02885	2.8
111.04430	10.7
117.05491	3.9
123.04411	1.9
127.03918	2.3
129.05484	29.9
137.02344	16.2
147.06523	4.6
153.01785	3.8
153.05455	4.3
161.02428	2.2
163.06079	3.1
165.01816	2.6
181.05034	2.2
195.02943	3.2
201.05568	2.3
203.03432	2.4
222.83646	2.1
225.05359	2.3
229.04926	3.6
251.25417	1.9
259.05875	2.4
271.05899	3.7
274.04810	3.0
287.05200	2.0
299.05496	8.5
302.04190	3.9
303.01511	3.8
303.04984	78.3
315.04956	36.9
316.05716	6.5
327.04929	11.5
329.06461	3.4
339.04761	2.4
341.06494	11.4
345.06049	89.8
345.10327	4.5
351.08371	2.3
353.06509	5.1
357.05972	2.7
367.07941	7.9
369.06052	24.6
395.07629	22.5
413.08688	62.7
431.09784	27.3
449.10764	47.7
476.22440	2.1
491.45050	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	595.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03939	0.8
55.01873	0.6
61.02913	0.8
67.05491	0.7
69.03436	4.3
69.48946	1.9
69.49372	1.7
70.28161	0.5
71.05000	0.8
79.01852	3.8
81.03423	4.8
81.07052	1.1
85.02914	3.3
91.05491	1.2
93.07050	0.6
95.04992	0.6
97.02898	5.1
97.06551	0.9
98.20840	0.9
105.07008	1.5
107.01307	1.5
107.04962	0.8
107.08586	1.3
109.02885	5.5
117.07060	0.8
119.08597	1.5
120.98681	0.4
121.06454	0.8
123.04463	0.9
123.08044	0.7
125.02343	3.9
127.03925	7.0
128.06078	0.7
129.06976	0.7
131.08603	0.8
133.06473	0.5
135.08066	23.0
142.07751	0.7
143.03397	5.2
143.08525	0.6
144.09334	0.9
145.05006	0.8
145.10097	0.7
147.04500	0.6
147.08070	1.1
151.07506	0.5
153.01837	100.0
154.02188	0.9
156.09325	1.2
157.10101	0.8
158.07365	0.6
159.08086	2.0
159.11729	3.4
161.06000	0.8
161.09598	0.5
167.07060	1.1
169.10202	0.5
171.02899	10.1
171.04245	1.0
171.11711	0.9
172.08827	1.7
173.09703	4.0
175.07602	0.8
175.11250	0.5
177.05536	0.5
177.42935	0.5
181.04984	1.7
187.07494	0.5
187.11197	9.5
197.09579	0.7
199.11198	2.2
203.10757	2.8
211.10915	0.5
215.10706	7.2
217.12280	1.5
227.10663	1.7
233.11729	11.6
245.11752	7.9
245.14052	0.8
253.68221	0.5
263.12799	7.8
279.04926	1.1
297.06137	6.0
315.07098	10.9
316.23141	0.5
359.03955	2.9
415.10068	0.9
416.14691	1.5
433.11209	1.2
476.50720	0.5
514.48065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	Catechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
53.00305	0.9
55.01863	1.0
59.98816	0.8
63.54790	0.7
65.03933	1.3
67.05508	1.3
68.43686	0.8
68.99789	4.8
69.66000	2.4
69.66432	3.2
71.04969	0.8
81.03421	3.2
84.73640	0.9
98.20953	1.8
99.04469	1.4
106.66590	0.8
107.04942	3.4
109.02882	3.6
111.00781	3.8
111.04457	2.5
117.03353	1.4
121.02898	1.0
123.04433	26.3
127.03918	100.0
128.04265	1.2
131.04967	1.9
131.28632	0.7
133.02843	1.2
135.04417	23.0
137.02312	1.2
139.03900	67.9
141.82356	0.8
143.88629	0.7
145.06549	1.1
147.04431	4.1
149.02356	3.1
149.06026	2.2
151.03908	13.3
153.01819	1.7
155.04880	1.2
159.04463	3.2
161.05971	0.9
163.02528	1.6
163.03912	31.2
164.04205	1.1
165.05504	3.0
167.03433	6.3
169.06528	2.4
173.05998	2.5
175.03952	5.0
177.05449	4.1
179.03395	11.5
181.04973	2.8
183.04462	1.0
187.03879	5.5
189.05551	1.8
191.03391	12.4
193.04990	3.4
197.05960	3.1
201.05458	5.7
203.03401	10.7
203.07098	1.1
205.05014	2.9
213.05473	3.2
215.03551	1.0
215.07089	1.9
217.05005	2.3
229.04994	7.5
231.06642	1.4
233.04486	6.8
241.05019	1.7
243.04312	0.9
243.06570	2.9
245.04453	7.5
247.06038	25.3
251.05449	2.0
255.06506	1.8
257.04483	11.5
259.05945	6.1
263.05496	3.4
269.04437	2.7
271.06021	13.1
273.07748	0.9
275.05530	15.8
283.06070	5.3
287.05481	24.7
288.05975	0.9
289.07065	10.3
291.08658	2.8
299.05542	8.2
301.07068	9.2
305.06641	2.2
307.08206	4.9
317.06476	4.6
409.09146	13.0
425.08655	8.2
427.10095	4.0
443.09802	3.6
451.10687	1.0
488.69650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44014	0.6
55.01876	0.7
63.46404	0.6
67.05518	0.9
68.99796	5.5
71.26980	1.3
81.03425	4.1
91.05458	1.2
95.04981	1.7
97.02885	0.8
99.04435	1.0
99.86189	0.6
103.68111	0.7
109.02869	3.4
111.00809	7.4
111.04411	1.3
119.04973	2.4
121.02887	1.0
123.04441	28.9
127.03925	100.0
133.02878	1.6
133.06546	0.6
135.04410	1.3
139.03909	55.1
145.06531	0.8
147.04414	11.5
149.02351	2.0
151.03912	24.4
153.01779	0.7
159.04395	1.3
161.05981	2.5
163.03940	4.8
165.05525	5.1
167.03407	3.9
171.04388	1.1
173.05997	0.9
175.03915	14.1
177.05460	4.8
179.03404	30.6
181.04984	0.7
185.05986	1.4
187.03975	0.8
187.99557	0.6
189.05519	2.2
191.03406	9.4
193.04970	3.4
197.06035	0.9
199.03912	2.2
201.05434	3.8
203.03403	21.3
205.05092	1.0
207.06474	0.7
213.05470	4.4
215.03513	0.6
217.05045	2.9
219.06522	1.3
227.03404	1.3
229.04953	4.7
231.06584	2.0
233.04443	5.4
241.04990	2.3
245.04486	6.9
247.06020	1.5
251.05493	1.5
257.04474	9.7
259.06003	3.8
259.88556	0.6
263.05527	6.3
269.04269	4.2
271.05997	2.0
275.05505	18.1
287.05511	50.8
288.05865	0.8
291.08679	10.3
299.05527	11.4
303.08694	1.2
305.06635	8.8
306.13220	0.8
313.07001	0.8
317.06509	10.2
379.08759	0.8
409.09091	4.1
425.08636	11.2
427.10223	3.3
443.09702	3.6
564.24255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
50.80439	0.4
51.02375	0.7
53.03944	1.3
55.01866	0.8
55.05516	0.9
57.03425	0.6
57.07077	0.5
60.59007	0.3
65.03931	0.7
67.05515	1.9
69.03421	1.2
69.07076	1.0
69.64464	1.2
69.64875	1.0
71.04993	0.6
73.27948	0.4
77.03915	0.5
79.05111	0.4
79.05505	2.5
81.03410	1.5
81.07067	2.9
83.04985	0.9
83.08617	0.5
83.27616	0.4
85.02912	1.4
91.05469	3.3
92.05799	0.4
93.07024	1.5
95.04966	2.5
95.08608	2.2
97.02905	1.2
97.06553	0.5
98.21322	0.9
99.04443	0.8
103.05473	32.1
105.03384	0.6
105.07059	2.0
106.04173	0.5
107.04946	2.4
107.08598	1.1
109.02880	1.2
109.06532	0.6
109.10147	1.1
111.00806	0.8
111.04446	0.7
115.05447	0.7
115.52419	0.4
117.07009	1.0
119.04966	0.7
119.08595	1.4
121.02895	1.3
121.06521	1.2
121.10136	1.0
123.04423	1.1
123.08051	0.6
123.11681	0.4
125.09682	0.4
127.03902	0.8
131.04933	100.0
132.05310	1.2
133.06488	1.1
133.10101	2.0
134.30377	0.4
135.04436	0.6
135.08081	0.8
135.11708	0.4
136.05219	0.6
137.02356	3.0
137.05971	1.2
139.07535	0.4
139.60078	0.4
145.06473	1.2
145.10106	0.8
147.04410	0.7
147.08043	0.5
149.02452	0.5
149.05966	1.3
149.09615	0.9
151.03844	0.6
151.07516	1.4
153.01852	6.5
159.08107	0.4
159.11781	0.4
161.06004	1.0
161.09564	2.0
163.03918	1.9
163.07538	0.5
163.11230	0.9
165.01831	1.5
165.05453	0.8
167.07050	10.7
173.06042	0.8
173.13286	0.5
175.07547	0.5
177.05537	1.0
179.06989	0.9
179.10690	0.6
181.04951	3.6
183.02905	0.4
189.09071	0.8
191.07098	0.5
191.14465	0.5
201.05504	1.2
205.04962	0.5
205.08588	0.5
207.10265	0.5
217.08525	0.5
229.04996	3.4
233.08167	0.5
247.05928	0.6
252.18173	0.4
257.04507	2.1
274.04752	0.7
275.09024	0.8
285.04025	0.8
293.10303	4.9
303.05005	63.0
304.05334	1.1
339.12314	0.4
343.11710	0.6
345.05890	0.8
359.11270	1.0
367.11572	0.5
369.13428	0.6
385.12729	1.5
401.15503	0.4
416.14801	1.0
497.30826	0.4
565.20709	0.5
595.21838	5.6
595.30774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.5
55.01877	26.7
55.05515	45.1
57.03441	13.6
57.07075	3.8
58.88346	2.4
59.76207	2.5
65.03934	7.6
67.05508	92.7
69.03434	12.4
69.07076	37.8
69.92245	5.8
69.92636	5.7
71.04992	9.5
73.02910	3.5
77.38187	2.4
79.05500	78.5
81.02972	4.1
81.03426	58.5
81.07065	100.0
83.04990	21.4
83.08627	29.1
85.02921	15.1
85.06548	5.2
91.05479	67.5
93.07050	70.3
95.04977	35.3
95.08617	41.4
97.02895	6.6
97.06547	32.4
97.10183	15.1
98.07309	3.0
98.21009	6.7
99.04457	4.4
99.08080	6.3
105.07042	43.8
107.04962	24.4
107.08596	44.9
109.02856	7.1
109.06524	17.0
109.10178	24.3
111.04448	6.0
111.08118	11.3
113.06060	4.2
116.04741	5.8
117.07011	22.4
119.08582	36.2
121.06506	12.9
121.10157	26.5
123.04511	3.3
123.08125	12.7
123.11720	7.7
125.06015	3.4
125.09631	14.9
127.11269	3.5
129.05469	6.7
129.06995	14.2
131.04984	2.3
131.08578	26.0
133.06505	8.0
133.10143	28.2
135.08072	9.4
135.11699	22.5
137.05957	3.2
137.09648	11.0
142.07744	3.4
143.08562	8.1
143.21446	2.4
145.10118	19.0
147.08052	9.2
147.11681	19.3
149.09618	20.5
149.13239	7.7
151.11203	9.1
153.09201	2.3
155.08554	3.6
157.08669	3.3
157.10149	12.0
159.08101	3.0
159.10431	2.8
159.11713	12.4
161.09615	5.2
161.13251	6.7
163.11198	9.9
165.12767	5.9
169.10077	4.5
171.11726	5.6
173.11801	2.9
173.13306	4.4
175.11165	12.1
177.12790	5.1
181.12251	6.3
183.11673	3.2
187.11288	2.9
189.11218	5.5
189.12730	3.2
191.10651	2.7
193.12265	23.5
195.13878	5.8
199.13229	3.6
209.11702	2.7
211.13338	24.3
219.13824	2.5
227.12715	12.7
229.14336	6.3
235.97868	2.6
245.19128	3.3
253.14423	4.3
263.20151	2.9
267.15872	12.0
273.18509	16.4
275.20071	31.0
283.15329	3.6
285.16989	12.9
291.19492	20.6
301.16370	13.3
313.21622	3.1
339.18008	4.4
347.22128	6.4
349.23773	10.7
365.23312	9.0
439.27097	3.3
449.29407	5.8
557.34741	12.1
575.35803	16.7
593.33405	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54993	0.4
63.07083	0.4
65.66502	0.5
69.69628	2.9
82.38120	0.4
93.45455	0.5
95.67390	0.4
98.20666	0.4
111.07236	0.4
136.34196	0.5
194.71371	0.4
196.09917	0.5
236.08327	0.5
324.15024	0.5
376.10706	0.5
387.16260	0.6
389.17615	1.5
401.17673	0.9
402.18521	1.3
402.70184	0.5
403.19238	4.7
404.20056	1.3
405.20651	2.5
416.15759	0.7
416.20590	1.0
417.16681	2.0
417.21695	4.6
418.21774	2.9
419.22385	4.8
429.17142	0.7
430.17157	0.8
431.18259	12.2
432.19397	2.1
432.24045	1.1
433.24188	10.9
434.24838	1.6
445.19916	13.9
446.20630	6.4
447.21634	5.8
457.20361	0.6
459.21466	4.9
460.22614	17.3
461.23322	15.2
462.23688	0.7
473.23386	3.5
474.24066	1.1
476.25900	1.7
487.24966	1.8
489.26501	1.0
491.24481	1.7
492.24860	1.3
493.25693	0.6
505.21899	6.3
515.24048	0.8
518.23175	1.1
519.24237	1.6
533.25519	53.0
534.25934	2.2
547.27130	0.6
564.23822	0.7
565.27911	1.4
575.26538	0.7
593.27582	100.0
594.28143	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	593.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01725	2.5
53.03934	3.6
55.01870	3.2
55.05515	7.0
57.07063	3.6
59.04980	2.7
63.17033	2.1
67.05517	17.3
69.03432	10.8
69.07069	9.2
70.86641	5.2
70.86977	2.8
71.04989	16.3
73.04739	2.2
79.05495	13.4
81.03428	16.6
81.07060	20.2
83.04988	7.3
83.08614	3.9
85.02905	6.5
85.06564	3.6
91.05465	25.0
93.07043	21.4
95.04974	7.4
95.08626	23.2
97.02897	10.1
99.04460	53.9
103.05466	3.1
105.07036	99.9
107.04975	5.4
107.08598	14.7
109.02831	5.6
109.06519	9.0
109.10171	10.8
117.07018	5.3
119.08585	20.9
121.06513	12.8
121.10168	8.0
123.04422	2.4
123.08079	11.8
123.11731	6.8
127.03922	7.9
128.06216	3.8
131.08565	6.7
132.96953	2.5
133.06506	12.5
133.10139	72.9
135.08118	3.5
135.11707	6.4
137.06062	3.8
137.09602	3.4
137.13329	2.7
143.08583	12.0
145.06464	2.7
145.10130	11.3
146.07307	3.6
147.08095	6.9
147.11679	8.1
149.09628	20.3
149.13269	3.2
151.07562	9.8
151.11171	3.4
153.01843	6.3
157.10162	2.6
159.11768	3.5
161.09631	100.0
161.13232	4.5
163.11189	37.0
165.12747	3.3
167.07091	6.9
171.11658	2.4
173.13292	3.2
175.07570	2.5
175.11166	2.9
179.10684	56.6
189.09096	24.0
189.12718	17.8
193.12277	4.6
205.12276	2.9
207.10197	23.0
207.13806	23.2
209.11726	2.8
211.13341	4.4
225.11162	3.9
244.57079	2.1
262.16589	2.5
323.14758	4.8
333.13278	7.2
341.00833	2.6
351.14456	11.1
359.29517	5.6
369.15494	9.6
377.30609	3.2
495.29337	4.8
593.20209	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	593.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.05496	9.7
57.03433	3.0
57.07052	5.0
63.53588	2.4
67.05511	20.6
69.03442	12.7
69.07050	9.5
71.04991	17.7
71.57474	3.2
78.07465	2.7
79.05486	15.0
81.03426	12.0
81.07050	23.3
83.04943	3.0
83.08603	4.2
85.02867	6.6
85.06528	6.0
87.04443	2.4
91.05473	23.9
93.07054	19.1
95.04962	7.1
95.08143	2.2
95.08614	28.2
97.02869	5.8
97.06533	4.9
97.10142	2.3
98.21160	3.1
99.04455	35.6
99.08038	2.7
103.05460	4.2
105.07029	100.0
107.04928	5.0
107.08591	19.5
109.02858	5.5
109.06506	7.0
109.10144	10.4
111.08069	4.5
117.06976	4.9
119.08586	25.4
121.02861	2.5
121.06495	11.9
121.10177	12.2
123.04429	5.2
123.08056	16.0
123.11723	6.8
125.09604	5.9
127.03891	5.6
131.08525	8.1
133.06493	11.8
133.10136	67.3
135.08034	5.0
135.11673	11.8
136.04971	2.9
137.05986	3.7
137.09616	4.4
143.08539	4.8
145.10081	10.7
147.11659	6.8
149.09601	15.2
151.07521	8.5
151.11224	4.3
153.01797	8.0
157.10101	4.7
159.08109	4.0
159.11722	3.9
161.09624	93.1
161.13264	3.6
163.11200	35.0
167.06967	4.3
171.11633	3.4
176.50987	2.6
177.05475	3.9
178.05045	3.6
179.05429	2.7
179.10667	58.3
189.09157	20.8
189.12703	12.3
193.12102	2.6
207.10217	23.9
207.13824	25.6
225.14748	3.0
227.12613	3.6
275.19940	4.6
277.17972	3.8
305.14017	3.5
323.15143	2.8
333.13290	6.8
351.14316	18.4
369.15213	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	593.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01867	1.4
55.05507	5.6
56.96571	1.4
57.03436	1.7
57.07070	1.7
59.04982	2.8
65.03941	2.5
67.05502	23.7
69.03428	19.9
69.07056	3.1
69.30629	13.9
70.98003	1.4
71.01327	1.8
71.04982	4.0
74.09715	2.3
75.42227	1.5
76.05602	1.6
77.70934	1.7
79.05498	5.3
81.03408	5.8
81.07057	18.5
83.01350	3.0
83.04953	2.9
83.08614	1.5
85.02908	60.1
85.06557	10.0
91.05463	11.5
93.07049	9.6
95.04959	5.9
95.08611	54.8
97.02908	12.0
98.20926	5.9
98.97575	2.0
99.04457	6.3
103.05426	1.7
105.03385	3.0
105.07039	25.2
107.08603	11.0
109.02884	5.9
109.06519	7.0
109.10159	27.5
111.04456	3.4
113.06030	3.2
114.05544	2.3
115.05411	1.9
117.06991	3.0
119.08586	34.5
121.06486	2.3
121.10142	17.5
123.04430	3.2
123.08078	24.1
123.11710	63.5
125.05975	15.7
127.03906	20.1
129.07002	1.8
131.08580	7.1
133.06517	3.1
133.10114	5.1
135.04416	2.5
135.08011	1.8
135.11691	5.9
137.05978	5.7
137.09596	3.9
137.13217	1.6
138.70901	1.4
139.03958	1.4
139.07536	4.0
143.08557	1.7
145.04977	5.0
145.10112	8.5
147.08034	6.2
147.11691	33.0
149.09622	27.0
151.07552	16.0
153.01828	4.8
153.09091	1.8
156.09335	5.9
159.08029	3.7
159.11705	2.5
161.09579	2.3
161.13266	12.4
163.03821	2.4
163.11200	5.5
165.12746	6.3
167.07047	2.1
167.10675	13.1
171.11670	6.9
173.09619	2.5
174.10446	8.7
179.14322	2.9
189.12740	57.5
197.01237	1.6
207.13817	100.0
208.14172	2.3
225.14874	19.2
251.09039	3.3
273.14822	1.8
287.05341	1.7
333.16968	34.8
351.18051	63.8
369.19043	21.8
387.20175	4.9
395.25406	1.9
413.26874	2.3
575.31885	3.5
593.21704	4.4
593.32819	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87405	1.3
53.03938	2.8
55.05292	1.8
55.05515	14.2
57.03437	9.2
57.06828	2.5
57.07080	34.2
65.03922	2.5
67.05511	66.7
69.07079	15.3
70.69829	2.2
70.70170	3.5
71.08279	2.2
71.08637	26.6
79.05504	32.1
81.07067	65.9
83.08622	11.7
85.10191	13.5
91.05495	15.6
93.07053	42.8
93.19192	1.5
95.04953	3.5
95.08614	58.6
97.10151	6.2
105.07045	14.1
107.08607	24.9
109.06535	1.6
109.10157	27.2
109.83324	1.7
111.11743	1.8
117.07008	6.4
119.08584	10.4
121.10154	21.1
121.45856	1.5
123.11731	12.9
131.08583	13.2
132.41336	1.4
133.10121	8.1
135.11693	13.2
137.13266	3.7
145.10117	9.3
147.11703	7.5
149.13261	10.7
149.53993	1.7
159.11696	8.0
161.13281	5.8
163.14822	8.2
173.13263	10.2
175.14737	2.5
177.16499	1.6
187.14845	4.4
201.16454	1.5
233.22801	3.0
239.23685	5.5
243.21078	10.3
261.22168	70.7
279.23209	2.6
287.23441	1.6
313.27386	100.0
317.24722	16.0
335.25821	65.2
335.29852	3.5
499.45074	1.6
521.06982	1.8
573.48749	21.3
591.49829	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	591.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05509	15.5
57.03428	11.4
57.06827	2.9
57.07082	39.7
67.05169	3.8
67.05508	61.1
67.51851	3.1
69.07073	17.4
69.99683	6.3
70.00083	4.4
71.08628	27.8
79.05057	3.7
79.05495	46.1
81.07062	71.7
82.81470	2.7
83.08613	11.1
85.06519	2.8
85.10192	13.8
88.17870	2.8
89.06062	2.9
90.04687	2.7
91.05486	26.3
93.07050	55.7
95.04981	4.3
95.08611	57.0
97.06498	4.1
97.10167	8.9
105.07051	15.3
107.08604	28.8
109.10159	21.4
113.09646	3.0
117.07042	6.9
119.08595	12.7
121.10144	27.3
123.11741	9.0
131.08569	15.5
133.10126	8.9
135.11673	14.9
137.13272	5.8
145.10158	7.0
147.11731	7.4
149.13263	12.2
152.59660	2.6
159.11707	9.2
161.13252	8.2
161.45850	2.7
163.14827	12.6
173.13257	8.7
177.16431	10.0
187.14836	4.5
192.39133	3.1
233.22673	4.2
236.99602	2.7
239.23743	4.4
240.84804	2.4
243.21132	21.0
261.22183	53.3
313.27362	100.0
317.24744	11.4
335.25790	70.8
466.99683	2.8
522.21594	2.6
533.06342	2.8
573.48346	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.67062	2.4
90.85483	0.4
98.21021	1.1
139.90382	0.3
150.95985	0.3
389.17618	0.9
401.18018	0.4
402.18469	0.9
403.19205	2.0
404.19785	0.5
405.20892	1.3
415.14609	0.5
416.20831	0.5
417.16302	0.8
417.21497	2.4
418.21609	1.1
419.22394	2.7
430.17392	0.7
431.18210	5.4
432.18851	2.0
433.24292	4.9
434.24567	1.6
445.19971	7.1
446.20700	3.2
447.21600	4.4
459.21606	3.3
460.22614	12.0
461.23340	9.4
463.20764	0.6
473.23984	1.7
474.24289	0.7
476.25839	1.1
477.22552	0.7
487.24866	1.3
491.24893	0.4
492.25534	1.2
493.25739	0.7
504.21567	0.4
505.21982	5.7
518.23358	0.5
519.23962	0.8
533.25519	30.0
534.25775	0.9
561.24915	0.5
564.23566	0.8
593.27600	100.0
594.27643	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50724	1.9
53.03933	3.2
55.01842	1.8
55.05511	15.2
57.03436	10.8
57.06817	3.1
57.07080	38.2
57.51092	1.8
59.46173	1.8
65.03935	1.9
67.05508	43.3
69.07071	18.6
71.04989	2.7
71.08632	33.5
71.32663	2.6
72.65398	1.6
79.05048	3.2
79.05497	38.1
81.07063	44.6
83.08631	14.0
85.10196	16.9
85.19596	1.9
91.05485	49.6
93.07050	42.5
95.08610	46.6
97.06506	2.7
97.10186	6.3
98.21158	2.0
99.08089	4.8
105.07040	55.1
107.04922	2.1
107.08604	23.9
109.10165	18.8
117.07037	11.7
119.08590	56.2
121.10146	16.5
123.11710	5.9
129.05515	2.5
129.07027	8.2
131.08577	15.8
133.10141	41.2
135.11705	14.6
143.08571	8.9
145.10135	19.8
147.11697	38.9
149.13280	8.7
157.10150	6.7
159.11711	15.1
161.13268	33.8
163.11241	2.7
163.14833	3.5
171.11728	11.8
173.13283	11.6
175.14830	13.1
179.14293	2.8
185.13240	9.9
187.14809	4.1
199.14842	5.1
201.16438	3.0
213.16490	4.1
217.19392	2.4
231.17308	2.0
231.20988	11.3
239.23773	6.3
241.19511	40.6
257.24994	2.3
259.20596	89.8
261.21930	2.2
261.51169	2.2
277.21637	6.4
313.27377	100.0
315.23251	6.7
333.24213	47.4
351.25360	2.1
394.20050	1.8
571.47241	9.6
589.48840	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2602
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
51.11911	0.5
56.04952	0.5
67.05495	0.9
70.16455	1.4
70.16869	0.7
79.05479	0.6
81.07059	0.6
81.37520	0.5
98.20972	1.1
100.63968	0.5
105.07059	0.4
105.63598	0.5
174.17105	0.4
191.33882	0.5
222.18474	0.4
291.15826	0.5
302.12030	0.4
313.27405	0.6
401.17499	1.3
404.21255	0.5
414.18097	1.1
415.19168	5.2
416.20224	2.3
428.20084	1.0
429.20801	7.7
430.21677	4.0
431.22263	2.0
442.21344	0.7
443.22803	2.9
444.23560	6.7
445.24271	4.7
448.26468	1.0
457.19769	1.1
458.20181	0.7
458.25427	0.8
459.21536	3.1
459.25955	2.8
471.21899	0.8
472.22659	2.7
473.23535	5.8
474.24707	2.4
475.25537	0.8
485.23349	2.1
486.24399	0.9
487.24957	21.3
488.25546	1.1
489.22864	2.0
490.23990	0.7
503.23920	1.6
515.24805	1.2
517.22565	0.9
518.22864	0.6
531.23889	14.6
532.24701	5.1
591.26019	100.0
592.26520	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	591.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.7
55.01880	16.3
55.05514	39.8
57.03231	2.0
57.03439	23.3
57.07072	3.8
65.03936	6.7
67.05508	99.9
69.03436	18.4
69.07070	25.7
71.01344	6.4
71.04979	10.7
71.57549	4.6
77.03879	2.8
79.05495	92.1
79.05959	4.4
81.03421	100.0
81.06579	4.7
81.07058	77.6
83.04984	29.2
83.08613	23.5
85.02921	22.0
85.06532	5.7
91.05482	77.3
91.83548	2.4
93.07048	78.9
95.04968	56.3
95.07311	2.6
95.08612	33.7
97.02906	20.9
97.06541	14.7
97.10176	17.9
98.21420	2.4
99.04436	7.4
99.08074	2.6
103.05454	5.7
103.06924	2.4
105.03379	3.4
105.04515	2.3
105.06374	4.6
105.07034	51.1
107.04958	22.7
107.08605	44.5
109.02888	28.2
109.06535	15.0
109.10158	14.5
111.04436	12.4
111.08080	14.8
113.88420	2.5
115.05476	6.3
117.07034	26.5
118.51328	2.5
119.04920	6.7
119.08583	35.8
121.02861	5.4
121.06489	21.7
121.10147	25.2
123.04460	14.9
123.08075	8.6
123.11668	3.0
125.02337	21.5
125.09624	15.4
127.03915	16.6
128.06154	6.7
129.07016	25.2
130.07767	3.7
131.04938	7.0
131.08560	24.3
133.06483	13.9
133.10121	29.1
135.04399	6.5
135.08049	15.7
135.11699	39.6
137.06001	6.8
137.09596	7.9
141.06981	8.3
142.07776	4.6
143.08554	13.3
145.06497	17.0
145.10123	19.0
147.04362	7.7
147.08034	14.6
147.11705	18.7
149.05992	6.3
149.09622	13.0
149.13297	4.3
151.11162	5.2
155.08562	7.8
157.06503	7.7
157.10132	13.8
159.08026	8.7
159.11693	9.8
161.05981	10.7
161.09656	8.5
163.07512	3.3
163.11194	19.4
165.12733	4.3
167.08656	2.6
169.10100	5.7
171.08104	7.0
171.11676	5.2
173.05978	5.7
173.09602	9.3
173.13182	4.9
175.07593	3.6
175.11143	15.8
177.12669	3.4
181.12225	10.6
183.07994	4.0
183.11641	4.7
185.09676	5.2
185.13261	2.9
187.11090	2.9
189.05447	4.8
189.09187	3.8
189.11096	3.3
189.12717	3.5
191.10608	4.4
193.12259	28.2
197.09546	3.5
197.13258	4.3
199.11273	5.8
199.13145	3.6
201.09050	3.0
201.12715	3.5
203.14397	3.6
207.13718	3.3
211.13272	22.3
217.12318	4.0
221.09506	2.8
223.13257	3.4
227.12747	8.4
235.13274	5.4
237.12773	3.8
249.14969	3.2
255.13644	5.4
255.15956	39.1
259.13428	4.0
261.14813	5.9
267.15964	12.9
271.13132	5.7
273.14944	16.7
273.17627	3.0
273.18857	2.6
289.14462	12.7
289.17685	3.9
301.14142	13.1
307.15579	5.6
319.15393	11.6
337.16559	6.7
363.18109	5.8
375.17749	7.0
381.19058	6.5
393.19000	7.4
447.27493	12.3
459.26413	2.9
465.28500	13.8
481.25641	4.0
513.28638	3.3
537.28998	3.6
538.37469	2.6
555.29358	14.5
573.30298	21.6
591.31531	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31952	1.5
53.03931	2.6
55.01866	1.8
55.05512	19.4
56.52690	1.5
57.03444	12.7
57.07076	42.7
61.92815	1.1
65.03938	2.5
67.05182	2.9
67.05509	40.6
69.06766	1.6
69.07070	16.5
69.87881	3.9
69.88288	4.1
71.04975	2.6
71.08633	27.8
79.05062	2.1
79.05495	34.9
81.07063	41.7
83.04964	1.6
83.08620	15.2
85.06535	2.8
85.09766	1.7
85.10184	14.7
89.06023	2.0
91.05485	42.8
93.07050	42.1
94.62746	1.3
95.04983	2.7
95.08614	40.2
97.06510	2.6
97.10160	7.4
98.21402	2.0
98.71912	1.3
99.08093	3.4
103.05469	1.5
105.07035	53.6
107.08600	24.7
107.97047	1.5
109.06490	2.0
109.10158	18.1
111.11749	1.7
113.09653	1.3
117.07012	12.0
119.08586	41.4
121.10152	16.5
123.11674	6.4
129.06992	9.6
130.07791	1.7
131.08586	18.1
133.10132	41.2
135.08081	2.0
135.11693	14.8
137.09581	1.8
137.13248	3.2
137.65443	1.3
143.08591	8.2
143.25005	1.3
145.09004	1.9
145.10120	18.7
147.08063	1.3
147.11691	39.3
149.09596	3.1
149.13281	9.9
157.10138	9.6
159.11711	16.8
161.13260	36.3
163.11110	2.1
163.14845	4.5
171.11681	12.5
173.13278	9.3
175.11212	2.5
175.14809	16.3
177.12703	2.6
185.13272	12.7
187.14812	4.5
189.12791	2.4
199.14827	5.1
213.16328	2.3
215.17825	2.4
217.19482	2.0
231.17561	1.8
231.21045	10.1
239.23685	5.4
241.19524	41.5
243.21097	2.1
257.19125	1.8
257.24692	3.3
259.20584	91.5
260.20831	1.6
277.21570	3.2
313.27365	100.0
315.23080	5.1
333.24234	47.9
440.88080	1.5
497.43399	2.0
571.46600	10.5
589.48395	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	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01881	9.1
55.05262	1.8
55.05515	24.1
57.07078	27.2
58.74464	1.5
60.52525	1.6
62.13949	1.6
65.03957	2.8
67.05511	46.4
69.03464	2.0
69.06715	2.8
69.07072	36.6
71.08633	21.9
71.58057	2.4
75.72722	1.5
79.05502	27.2
81.03426	5.3
81.07064	59.1
83.04996	7.7
83.08633	19.4
85.10169	10.2
91.05488	44.1
93.07051	31.1
95.01340	9.4
95.04984	7.7
95.08613	44.9
97.06544	12.5
97.10178	7.4
99.08103	5.3
103.05482	2.3
105.07036	54.2
107.04951	14.7
107.08622	13.0
108.54206	1.8
109.06513	3.5
109.10164	15.6
111.04516	2.3
111.08078	2.4
117.07016	9.3
119.08588	30.8
121.06563	1.9
121.10165	7.5
123.08105	2.9
123.11746	4.7
125.09608	2.9
129.07005	3.8
131.08580	20.5
133.10136	31.4
133.11070	2.5
135.08066	3.3
135.11702	10.8
137.09645	1.7
143.08537	2.6
145.10126	22.2
147.11694	13.7
149.09651	6.9
149.13271	4.0
151.11230	4.1
155.08485	1.7
157.10146	5.4
159.11708	10.9
161.13303	6.3
163.11230	5.6
169.10225	2.0
171.11740	3.9
173.13272	4.8
175.11191	2.3
177.12659	1.9
179.14336	19.9
179.15802	1.9
183.11720	2.9
185.13173	1.7
187.11215	2.2
197.13194	1.6
199.02937	1.6
204.90019	1.6
219.17361	2.6
229.19470	2.3
233.15567	1.5
237.22246	3.6
239.17906	2.7
239.23799	3.4
247.20677	3.9
254.60777	1.5
257.19028	14.3
275.20068	76.8
277.21741	7.3
293.21173	6.5
313.27429	7.3
331.22980	2.1
345.24319	1.8
349.23721	2.0
548.98785	1.6
587.46765	100.0
588.46594	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	588.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82304	2.2
71.56457	3.5
79.05469	3.0
85.02890	3.3
91.05479	10.6
93.07027	2.9
103.05444	9.3
105.07012	7.5
106.04168	6.0
107.04969	13.3
109.02872	2.0
119.04942	2.1
121.06554	9.5
123.04434	1.9
127.03949	2.9
129.07011	7.1
131.04950	7.8
132.05669	3.5
133.06528	4.0
135.08075	5.3
137.05968	5.1
146.07246	2.9
148.05180	5.1
149.05988	11.7
151.07501	3.8
153.01848	19.4
153.05418	2.3
153.09096	2.3
157.06488	2.2
161.05994	81.8
161.09604	20.5
163.07541	17.9
167.07054	30.2
174.06750	2.3
175.07545	7.0
177.05482	7.2
177.09062	3.0
179.07069	2.3
180.07802	5.4
181.08597	17.5
189.09122	49.9
189.91452	1.9
191.07050	12.5
192.07851	5.9
193.08655	3.5
207.10179	100.0
209.08080	16.9
219.10181	3.9
225.73676	2.1
249.70323	2.1
311.12482	2.4
315.07220	2.5
317.13858	6.4
329.13843	2.6
341.13852	4.0
343.15421	13.4
361.16437	27.4
373.16376	5.2
448.81528	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	587.3218
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
53.03944	9.0
55.01864	11.0
55.05511	31.0
57.03436	8.9
65.03948	5.4
67.05510	47.7
69.03426	6.7
69.07075	16.1
71.04977	6.4
73.90263	2.1
78.24632	2.1
79.05054	3.5
79.05499	54.2
81.03420	31.3
81.06579	3.7
81.07061	68.9
83.04974	10.0
83.08214	2.4
83.08630	15.3
85.06538	3.5
91.05489	41.9
91.56507	2.2
93.07057	38.4
95.04977	51.4
95.08614	25.2
97.02912	5.4
97.06541	7.1
97.10177	13.9
98.20751	7.1
98.21478	6.8
103.05486	7.7
105.07037	31.6
107.04962	14.3
107.08600	24.5
109.02858	11.4
109.06507	4.5
109.10165	6.6
111.04422	3.4
111.08124	3.7
115.05434	12.4
116.06332	2.1
117.07039	18.1
119.04945	3.5
119.08576	14.2
121.02865	4.8
121.06500	15.0
121.10136	14.4
123.04482	4.5
123.08104	4.3
123.11749	4.0
125.09641	7.8
128.06219	6.2
129.07013	15.3
131.04935	16.7
131.08549	21.4
133.06522	16.2
133.10141	12.1
135.04442	2.7
135.08026	10.8
135.11670	5.1
137.02322	5.2
137.06046	3.4
139.03894	3.1
141.06973	7.6
142.07843	3.2
143.08575	8.1
144.05669	3.4
145.06502	19.0
145.10147	8.1
145.37030	2.3
147.04388	12.5
147.08038	8.8
147.11717	8.0
149.05991	5.3
149.09602	4.6
149.13283	10.4
151.11195	2.4
153.06941	2.7
155.08571	9.2
157.06503	9.2
157.10132	6.1
159.08080	7.9
159.11717	6.6
160.05238	3.7
161.05986	19.4
161.09633	6.4
163.11223	8.3
165.06975	3.5
165.12846	3.6
167.08580	6.3
169.06511	3.1
169.10092	5.7
171.04492	3.7
171.08087	9.1
171.11621	4.0
173.05968	26.1
173.09634	3.9
174.06787	6.5
175.07649	4.7
175.11240	2.8
177.05562	3.2
179.08618	3.3
181.06499	2.5
181.10127	5.9
183.08089	7.3
183.11784	2.5
185.05988	6.2
185.09583	3.7
187.07582	12.6
187.11124	2.7
189.05464	25.0
189.09248	2.7
189.11246	4.7
193.12393	3.2
195.08041	3.8
195.11992	2.4
195.13893	6.9
197.09636	4.0
199.07582	4.0
201.09293	4.0
203.10706	4.0
207.11745	2.8
211.11333	3.3
213.12775	2.4
227.07191	2.7
237.12794	3.2
243.13977	2.9
245.15385	3.2
255.13841	7.3
257.15451	4.9
267.16013	3.7
269.17517	18.6
271.13333	3.4
273.14932	24.8
283.13223	13.1
285.14706	11.0
289.14328	3.9
295.16626	2.3
301.14365	67.9
303.15982	8.1
311.16315	2.4
318.62228	2.3
319.15308	11.0
337.17679	3.0
345.17194	3.1
357.17105	4.2
359.18475	3.9
375.17911	13.7
393.19119	6.4
431.25687	3.1
433.22360	2.2
449.26834	4.8
467.28238	2.3
478.08734	2.4
495.27518	9.0
501.28635	2.6
513.28345	4.8
527.29919	2.9
539.29462	3.5
541.31750	5.7
551.29755	7.9
557.31158	17.8
569.31122	70.6
587.32166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01874	4.4
55.05513	4.4
57.03429	1.4
57.07057	0.9
65.03934	1.4
67.05505	8.5
68.99823	1.4
69.03420	3.2
69.07048	4.0
71.04983	1.0
71.56715	1.0
79.05488	6.5
81.03410	5.7
81.07056	11.9
83.04983	2.0
83.08617	1.7
85.02913	2.5
85.06532	1.8
91.05480	5.1
92.83060	0.9
93.07063	9.3
95.04984	6.6
95.05550	1.0
95.08606	6.2
97.02888	3.5
97.06530	2.0
97.10141	1.1
105.07019	3.7
107.04959	4.2
107.08571	7.0
109.02888	9.8
109.06548	2.0
109.10157	4.2
111.04436	1.9
117.07013	2.9
119.04939	4.6
119.08561	3.3
121.02875	1.6
121.06498	3.9
121.10136	2.8
123.04431	52.9
123.08035	1.1
123.11724	9.9
125.05984	1.0
125.09615	1.1
127.03917	2.2
128.06154	1.1
129.07024	1.2
131.04910	2.3
131.08549	2.2
133.06480	1.5
133.10139	2.2
135.04425	9.7
135.08128	1.3
135.11719	6.0
137.02330	1.3
137.05968	2.0
139.03912	9.2
143.08580	1.4
145.10103	1.9
147.04410	14.7
147.08022	1.6
147.11659	1.0
149.05954	2.5
149.13237	1.7
151.03908	36.9
153.01825	7.9
153.05444	3.7
155.08588	0.9
157.06273	0.8
157.10118	1.8
159.08003	1.0
159.11714	1.5
161.06044	6.3
161.09610	2.1
163.03905	4.7
163.07497	4.6
165.05482	11.3
169.04945	4.5
169.06316	1.9
169.10080	1.1
171.08075	1.5
171.11684	1.1
173.06007	5.1
175.03979	1.2
175.07497	2.7
177.05455	1.6
179.07013	3.3
181.04950	4.8
183.08043	1.3
187.07552	2.8
189.05435	3.2
189.09128	1.7
191.07050	10.6
193.04973	13.8
197.05931	1.5
199.07573	1.2
205.08659	2.3
207.06516	5.6
215.07031	5.9
217.08615	5.8
239.07008	2.1
241.12465	1.1
243.06424	1.7
255.13750	3.9
257.07986	1.9
273.14868	28.2
285.07599	8.8
285.14569	1.3
293.36234	0.9
301.14304	3.9
302.14600	1.1
303.08633	100.0
304.09085	1.6
343.11700	3.1
369.13202	1.2
425.19598	34.4
495.27560	1.2
551.29761	1.7
569.30463	5.1
587.31781	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	587.1398
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
51.02391	0.7
53.03940	0.8
55.01875	0.5
57.03433	0.5
60.52376	0.5
61.02863	0.4
65.03931	1.0
67.01853	1.9
67.05496	0.8
68.99805	1.1
69.03436	2.5
71.04986	0.5
71.56779	0.5
79.01862	2.8
79.05490	0.9
80.61218	0.4
81.03411	6.7
81.07072	1.1
85.02924	2.8
88.45262	0.4
91.05485	1.1
93.07040	0.9
95.04990	0.8
95.08601	0.9
97.02898	6.4
98.20980	0.4
99.04464	0.6
105.07021	1.3
107.01315	1.7
107.04953	1.2
109.02888	4.1
109.06548	0.6
111.04414	0.5
111.99705	0.5
112.17719	0.4
118.57376	0.5
119.04925	1.8
119.08538	0.5
121.02868	5.7
121.06477	1.3
121.10158	1.1
123.04427	1.5
125.02349	3.5
127.03910	4.8
133.10181	0.6
137.05992	1.1
143.03386	5.0
145.05003	0.8
147.04425	4.4
151.03912	1.4
151.07619	0.5
153.01833	100.0
153.02766	3.7
154.02182	1.4
163.03917	0.6
165.01863	0.7
167.07062	4.0
171.02890	21.0
177.01802	0.7
179.03441	0.6
179.07060	1.0
183.02892	0.8
184.06136	0.5
191.03407	0.8
191.64583	0.5
195.02911	6.7
195.06606	1.2
201.19655	0.5
205.76466	0.4
219.02924	1.4
225.07553	0.7
232.05162	0.5
233.04509	0.6
243.02821	0.9
261.04028	1.9
273.07584	21.0
274.07861	0.6
285.07480	0.5
297.05954	6.6
303.04990	1.0
315.07535	2.1
339.08661	1.4
360.15109	0.6
363.08441	1.0
381.09729	1.8
445.74283	0.5
472.36298	0.5
534.62555	0.5
546.44867	0.5
557.18860	0.5
587.23853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05508	4.2
57.07067	1.5
57.66715	0.9
66.57558	0.9
67.05505	6.1
69.03425	3.3
69.07065	3.8
71.04995	11.9
73.06568	2.3
79.01869	1.7
79.05488	5.9
81.03405	4.7
81.07058	15.1
85.02900	4.1
85.06537	1.6
91.05476	7.1
93.07046	13.6
95.04994	1.5
95.08608	15.1
97.02895	3.1
97.06528	2.6
97.10143	1.9
99.08105	2.4
105.07030	23.2
105.07759	1.2
107.01297	1.3
107.08595	14.7
109.02869	5.4
109.06526	1.0
109.10156	9.2
111.08100	1.5
117.07010	1.6
118.88329	0.9
119.08574	6.6
121.06553	1.9
121.10146	9.8
123.04438	0.8
123.08076	1.2
123.11693	4.2
125.02349	2.9
125.09641	14.6
127.03923	7.1
127.11210	2.3
131.08543	3.1
133.10135	30.0
135.11729	2.5
137.05933	1.5
143.03410	3.9
143.08687	1.0
143.10674	22.5
145.05005	0.9
145.10130	5.8
147.04402	1.1
147.11684	9.5
149.09567	1.7
149.13274	12.5
151.11168	2.0
153.01833	100.0
153.02808	3.5
154.02081	1.2
156.31731	0.9
159.11684	5.2
161.05942	1.5
161.13255	3.7
163.11232	1.2
167.06998	1.0
167.14319	37.7
169.12245	1.1
171.02899	10.7
178.04985	1.4
191.17908	1.0
201.16420	7.7
203.10652	0.9
203.17989	1.1
205.50812	0.8
213.93065	0.9
214.52728	0.8
219.17453	23.5
233.11726	1.6
237.18385	2.3
279.05151	1.3
297.06082	3.8
303.04996	1.6
307.15402	1.0
315.07095	28.0
331.06458	1.2
424.60382	1.0
464.79440	0.9
538.47205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26500	0.8
51.02407	0.9
53.03945	2.3
55.01885	1.2
55.05509	4.0
55.95621	0.8
67.05512	6.4
69.03427	2.4
69.07067	4.0
69.49387	2.1
69.49812	4.8
71.04998	10.8
73.06559	2.0
79.01865	2.0
79.05502	6.2
81.03425	5.0
81.07062	14.5
83.04983	1.8
83.08613	2.0
85.02905	3.6
85.06548	1.0
91.05496	6.4
93.07048	12.0
95.04975	1.5
95.08043	1.3
95.08614	16.3
97.02903	3.6
97.06543	1.9
97.10180	1.3
98.21225	3.1
99.08096	2.7
103.05463	0.9
105.07038	20.0
107.01365	1.1
107.03399	0.8
107.04967	1.7
107.08612	11.4
109.02883	4.0
109.06480	1.7
109.10162	9.5
109.35961	0.9
109.57539	0.9
111.08109	0.8
113.03440	0.9
117.07024	2.0
119.08566	5.5
121.06544	0.9
121.10157	7.0
123.08033	1.0
123.11729	2.4
125.02351	2.0
125.09636	13.8
127.03909	6.7
127.11159	1.9
131.08582	3.2
133.10136	28.5
135.11719	1.6
137.05931	1.1
142.37926	1.0
143.03401	3.0
143.10680	16.6
145.10167	4.4
147.11696	8.3
149.13260	13.5
153.01837	100.0
154.02069	0.9
159.11697	5.4
161.13272	3.1
165.46826	0.8
167.07051	2.3
167.14328	40.1
169.12216	1.0
171.02895	9.9
173.13223	1.4
195.10193	2.3
201.16374	4.5
203.17964	1.5
219.17462	19.6
237.18549	2.7
257.18228	0.9
259.66776	0.9
297.06070	3.8
315.07117	24.3
328.71115	0.9
331.06744	1.6
349.63550	0.8
586.31830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01867	0.9
55.05497	1.9
57.03421	0.6
58.68488	0.5
65.03938	8.2
67.05510	4.2
69.03408	1.6
69.07059	1.3
71.01360	0.8
71.56365	0.5
71.56707	0.7
79.05495	3.8
81.03406	2.4
81.07049	2.7
82.04201	1.2
83.04966	1.1
83.08599	1.7
84.96050	0.6
85.02882	1.5
85.06506	0.7
91.05479	3.2
93.03400	3.1
93.07021	3.0
95.01332	1.0
95.02462	0.8
95.04973	3.3
95.08591	1.6
97.06512	1.1
97.10154	1.0
97.26789	0.5
103.05457	0.7
105.07037	2.8
107.04967	4.1
107.08582	1.7
108.02096	1.3
109.02881	4.0
109.10139	1.3
110.03658	7.0
111.04452	9.2
113.03472	1.8
119.04908	1.1
119.08582	1.3
121.02859	7.4
121.06487	2.2
121.10143	0.9
122.12411	0.5
123.04406	1.6
125.05988	9.1
125.09615	1.1
127.03931	0.9
129.07008	1.2
131.04922	1.3
133.02815	0.7
133.06425	1.4
133.10181	1.1
135.04398	2.5
135.08046	1.5
137.05980	2.2
138.03107	0.8
139.03870	1.0
141.05527	0.8
143.08627	0.7
145.06500	1.2
147.04396	1.0
147.08124	0.8
149.02330	2.1
149.06004	1.5
149.09622	0.8
151.03903	23.7
151.04991	1.1
151.07535	1.6
153.01825	3.7
153.05469	18.3
153.06776	1.1
157.06500	0.9
159.08054	2.1
161.05951	3.8
161.09622	2.6
162.06615	0.5
163.03929	1.2
163.07533	0.6
165.05540	0.8
165.07011	1.2
167.07001	2.9
167.08455	1.2
171.08017	1.0
173.05954	1.4
174.06754	0.9
175.07521	2.4
178.06274	1.3
178.07735	0.8
179.08557	1.0
180.07368	0.5
181.04951	1.0
181.06465	1.5
181.08577	1.2
182.07283	1.6
183.08101	0.8
185.09676	0.6
187.07640	0.7
188.08304	0.6
189.05533	1.0
189.09088	1.8
191.10643	0.8
193.06474	0.6
193.10168	1.0
194.07332	1.0
195.06491	1.2
195.08099	1.9
195.10056	0.9
196.07291	0.8
197.05840	1.2
197.09662	0.9
199.07497	0.8
207.08160	1.1
207.10075	0.6
209.06050	0.8
209.09555	1.1
210.06683	2.7
211.07623	3.1
211.10870	0.7
212.08333	1.6
213.09125	0.9
217.08609	1.2
219.10124	0.8
221.05997	1.9
221.09656	1.6
222.06731	1.2
222.10335	1.0
223.04086	0.7
223.07466	3.0
223.11128	0.8
224.04706	0.8
224.08327	1.1
225.09070	4.0
227.07101	2.7
227.10704	0.8
229.11880	2.5
234.06792	1.3
235.07446	1.3
236.08403	0.7
237.05403	0.7
237.09174	2.6
238.06232	2.3
238.09946	2.9
239.07051	3.1
239.10681	1.7
240.07794	6.8
241.08592	2.1
247.07750	0.5
249.09076	2.3
249.11275	1.3
250.06477	0.6
250.09811	0.7
251.07027	2.5
252.07895	3.3
253.08618	15.8
253.12271	5.2
254.09424	2.7
255.06624	1.8
255.10103	4.7
257.08127	1.8
263.07092	0.9
264.08008	0.7
265.08563	1.6
266.05695	0.9
266.09354	3.2
267.06564	0.8
267.10150	2.6
268.07318	1.9
269.08032	3.4
270.08929	2.5
271.13269	1.0
272.10489	0.7
277.08594	1.0
279.06699	0.7
279.10165	1.3
281.08102	4.1
281.11728	4.6
282.08929	2.1
283.09647	6.6
284.10416	2.5
285.07791	1.0
285.11157	3.4
285.14865	2.4
294.08664	0.7
295.09750	2.9
296.10471	1.1
297.11151	1.8
298.08517	0.9
298.12006	2.2
299.09637	1.0
299.12762	6.0
301.14362	1.9
303.04947	4.2
303.16013	1.0
309.11166	6.0
310.11969	2.3
311.12653	0.7
313.10712	8.9
313.14343	4.2
326.11563	0.9
327.12253	28.6
328.12860	1.7
329.13519	0.7
331.15369	2.4
339.12399	1.0
341.13855	3.8
341.17377	0.8
343.15146	0.8
355.15222	1.3
357.13300	2.2
359.14868	100.0
360.15433	2.3
361.16742	0.8
371.14865	5.6
372.15601	2.0
475.24945	0.7
493.25662	0.8
500.66492	0.7
567.29144	1.9
585.30548	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	586.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
57.07082	1.4
67.05499	5.3
69.03423	3.1
69.07061	3.7
70.68279	2.9
70.68628	2.0
71.04996	14.3
76.64426	1.3
79.01852	1.4
79.05497	5.7
81.03403	3.3
81.07066	12.5
83.08604	2.2
85.02896	3.9
91.05479	4.3
93.07046	11.9
95.08618	15.6
97.02910	2.9
99.08067	1.9
105.07038	20.0
107.08597	13.7
109.02894	4.4
109.10155	7.6
109.44311	1.4
119.08546	7.5
121.10145	8.9
123.11726	2.8
125.02380	2.7
125.09631	15.0
127.03924	6.8
131.08542	4.7
131.56212	1.2
133.10136	27.2
143.03427	2.7
143.10672	17.4
145.10133	4.4
146.19728	1.4
147.11700	8.9
149.13268	13.0
153.01837	100.0
153.02814	3.8
159.11742	4.7
161.13266	3.1
167.07057	12.2
167.14339	38.7
168.07364	3.2
171.02925	9.6
171.04176	1.5
173.13162	1.9
178.04924	1.6
195.10025	1.6
199.68994	1.3
201.16417	5.2
203.17882	2.6
219.17451	18.8
237.18529	3.2
297.05994	3.7
313.13879	1.5
315.07083	28.4
365.61807	1.6
536.17969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34903	1.2
53.03928	3.0
55.05507	6.1
57.07077	10.9
59.04994	3.6
65.03928	3.3
67.05508	14.7
69.03424	5.9
69.07081	8.9
69.53868	7.7
71.08658	2.0
79.05495	18.6
81.07062	21.8
83.04977	2.6
83.08622	4.1
85.06548	6.7
89.06045	7.5
91.04956	2.8
91.05485	33.2
93.07049	35.3
95.04979	8.5
95.08610	21.5
97.06509	3.0
98.21132	6.1
103.05453	2.1
105.07037	56.3
106.07803	3.1
107.08600	29.9
109.06538	7.3
109.10166	12.5
111.08064	2.0
115.05460	3.8
116.06244	2.5
116.41130	1.3
117.07011	18.5
119.08587	71.9
120.09381	4.2
121.06503	4.9
121.10151	19.8
123.08086	11.2
123.11727	3.9
125.06013	3.1
127.73449	1.4
128.06194	9.2
129.07010	13.1
130.07768	4.8
131.08575	35.3
132.09338	3.6
133.06526	3.2
133.08592	5.1
133.10130	30.1
135.08041	13.0
135.11688	11.4
137.05989	1.8
137.09595	8.0
139.11209	1.8
141.06972	5.5
142.07780	18.1
143.08574	28.4
144.09363	8.7
145.06497	1.9
145.10127	50.4
146.10806	2.5
147.08064	14.1
147.11729	10.8
148.08759	1.7
149.09613	8.1
149.13263	3.2
150.19919	1.5
151.07573	5.3
151.11163	1.5
154.07738	2.0
155.08580	13.3
156.09364	13.9
157.10141	46.5
158.10953	7.6
159.08070	5.2
159.11700	28.0
160.12494	1.4
161.09613	6.3
161.13252	5.1
163.11177	10.7
164.72079	1.5
165.07025	3.0
165.09105	23.0
167.08554	5.9
168.09328	3.6
169.10149	19.3
170.10887	7.2
171.11679	21.5
172.12415	6.3
173.09639	4.3
173.13258	15.8
175.11234	11.9
175.14810	10.9
177.09029	2.1
177.11269	2.3
177.12700	3.3
178.07661	1.5
179.08546	5.4
179.10684	1.4
180.09320	3.1
180.11545	1.7
181.10153	10.6
181.12181	6.7
182.10851	7.3
183.08063	1.7
183.11711	23.1
184.12474	3.0
185.09592	4.2
185.13283	13.6
186.13916	1.7
187.11183	4.1
187.14842	6.3
189.12761	7.6
190.13506	5.2
191.10622	1.7
191.14325	3.9
193.10155	9.8
193.12227	7.4
194.10939	6.4
195.11717	15.0
196.12442	5.3
197.09688	1.7
197.13286	16.1
198.14020	3.6
199.11160	3.9
199.14841	4.6
200.11914	1.8
200.15648	1.3
201.12848	6.7
201.16338	5.1
203.14305	14.6
205.10226	3.2
206.10995	2.3
207.11707	8.1
207.13817	6.9
208.09035	1.5
208.12462	4.9
208.14462	3.5
209.13310	13.8
210.10323	1.5
210.14049	1.7
211.11177	2.8
211.14832	8.8
212.50107	1.5
213.12653	2.7
213.16406	2.7
215.14406	3.1
217.15866	2.4
219.11729	3.6
219.13800	3.1
220.12408	1.5
221.13274	5.3
221.15335	48.4
222.13921	3.3
222.15898	1.5
223.11209	2.4
223.14827	11.0
225.12843	3.3
225.16330	2.8
227.14326	3.3
229.15929	2.1
233.13264	3.4
233.15401	1.7
234.14058	1.9
234.16125	8.1
235.14915	5.4
237.12691	4.3
237.16394	4.8
239.17982	3.4
240.15121	1.7
241.15837	2.5
246.14008	1.8
247.14801	2.8
247.16983	11.2
249.16341	4.5
250.17151	2.0
251.14400	1.7
251.18019	3.1
253.15953	2.9
253.19466	2.4
255.17310	2.0
257.19064	3.3
259.17087	3.1
261.16272	3.4
263.18005	3.7
265.15897	1.7
265.19495	2.7
267.17520	2.3
271.16928	3.6
271.20587	3.4
273.16241	1.7
274.19424	2.2
277.19482	2.3
279.17429	2.6
281.18988	3.7
283.20309	1.5
285.18518	1.9
286.19391	2.0
287.19992	1.9
289.19406	1.5
293.19174	2.2
296.21405	2.6
297.18787	2.0
297.22174	2.5
299.20166	11.6
300.20868	1.9
307.20529	2.6
309.22122	1.9
310.19202	1.9
311.20215	2.4
311.29483	2.3
312.20859	2.4
312.24423	2.7
319.20532	2.2
325.21759	9.1
337.21771	7.8
352.23975	72.3
363.23099	1.6
365.24731	12.3
371.22830	2.2
372.26923	1.8
376.27292	2.2
378.25568	2.4
385.27341	1.8
391.26205	2.7
397.27274	4.4
398.28238	8.6
404.30667	5.6
411.28857	2.9
412.29794	19.0
423.28049	1.6
425.30423	5.1
431.29376	2.7
438.31311	12.4
489.33508	6.8
490.34088	1.9
491.35410	11.2
492.35461	3.2
504.35974	100.0
505.36148	3.5
551.39227	1.7
566.40863	2.5
569.39319	2.7
584.42316	19.9
584.55927	7.1
585.42560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05512	9.7
57.07090	8.6
59.04985	1.6
61.63898	1.1
64.51775	1.4
65.03929	2.3
67.05511	12.9
69.03420	5.3
69.07077	7.8
69.24091	14.6
75.61193	1.4
77.03941	1.1
79.05497	20.2
81.07063	20.1
83.04956	3.3
83.08633	4.4
85.06545	5.3
89.06039	6.4
91.05481	29.6
93.07050	39.2
95.04963	6.0
95.08609	23.8
97.06519	4.1
98.21133	7.2
103.05435	2.6
105.07032	51.8
106.07816	3.2
107.07873	1.7
107.08601	35.1
108.09385	1.8
109.06516	7.2
109.10160	11.2
111.08124	2.4
115.05414	4.5
117.07019	17.8
119.08585	67.9
120.09351	5.0
121.06511	4.4
121.10145	24.1
123.08086	9.0
123.11718	3.5
125.05991	3.9
128.06210	8.6
129.07019	15.0
130.07776	5.9
131.08571	32.8
132.09314	2.1
133.06602	1.5
133.08585	3.6
133.10129	32.5
133.11073	2.6
135.08095	10.5
135.11703	14.2
136.08762	1.5
137.06030	1.9
137.09601	10.8
139.07504	2.2
140.71556	1.4
141.06995	5.9
142.07782	16.8
143.08549	27.9
144.09370	9.7
145.09035	2.6
145.10132	47.1
146.10768	1.6
147.08037	17.5
147.11674	13.1
149.09639	8.3
149.13213	1.7
151.07552	6.3
151.11168	2.6
153.06985	2.3
154.07874	1.8
155.08551	15.0
156.09358	12.2
157.10135	44.9
158.10945	7.2
159.08038	5.5
159.11699	26.4
160.08862	1.9
160.12392	1.8
161.09604	7.3
161.13289	8.1
163.10065	1.6
163.11194	9.2
165.06975	3.6
165.09128	23.8
166.07832	2.9
167.08540	6.2
168.09317	4.5
169.10143	19.6
170.10927	7.8
171.08084	1.7
171.11693	29.2
172.08641	1.5
172.12474	6.4
173.09599	5.0
173.13258	17.3
175.11160	10.1
175.14856	11.8
177.09065	1.6
177.11295	1.9
177.12787	3.8
178.07832	1.6
179.08565	4.1
179.10562	1.7
180.09290	4.1
181.10143	10.1
181.12248	6.7
182.10913	7.3
183.11720	20.1
184.12416	4.0
185.09688	2.3
185.13274	15.2
186.10327	1.2
187.11177	4.0
187.14822	5.6
189.12769	4.5
190.13469	5.8
191.10641	2.4
191.14336	3.0
192.09338	1.5
193.10271	6.8
193.12093	6.5
194.10823	4.0
195.11696	16.2
195.13484	2.1
196.12387	5.4
196.81810	1.6
197.09615	2.1
197.13289	15.9
198.13980	4.6
199.11205	4.6
199.14729	6.7
200.11778	1.3
200.15659	1.5
201.12738	4.7
201.16336	3.2
203.14359	12.3
203.73686	1.3
206.10854	3.0
207.11710	10.0
207.13786	7.7
208.12439	3.8
208.14604	4.8
209.13292	17.6
209.15213	1.5
210.13959	2.6
211.11172	3.0
211.14838	11.6
213.12805	2.8
213.16397	1.6
214.13449	1.6
215.14261	3.3
217.15932	4.1
219.11703	3.6
219.13777	3.3
220.12457	1.8
221.13242	8.7
221.15329	50.9
222.13914	2.8
223.14886	10.0
224.15573	2.7
225.12750	2.7
225.16368	5.0
227.14230	2.6
229.16026	2.0
233.13232	3.7
233.15314	2.3
234.16069	8.8
235.14883	7.8
236.15573	1.8
237.12737	5.4
237.16493	6.3
238.13791	1.6
239.17935	2.3
241.15849	2.7
245.13092	2.3
245.15399	1.8
247.14757	3.1
247.16945	9.3
248.15431	1.7
249.16476	2.2
251.18010	3.5
253.16016	2.6
255.17467	3.4
259.17093	1.4
261.16440	3.9
263.14157	1.6
263.18008	3.7
265.15909	1.9
265.19409	2.3
267.17371	1.8
269.18930	1.9
271.17078	3.2
271.20486	2.6
273.16190	1.6
273.18777	1.6
274.19299	2.2
275.17770	1.7
277.16043	1.6
277.19473	2.0
279.17416	2.6
281.18881	2.9
283.20480	1.7
285.18591	2.3
286.19278	3.9
287.20197	2.9
289.19476	1.3
291.20969	1.7
296.21320	2.8
297.18527	3.4
297.22070	1.4
299.20026	10.1
300.20938	1.9
307.20428	1.5
309.18661	2.6
309.21887	1.8
310.19324	2.6
311.20313	1.6
311.29367	1.4
312.20886	2.2
312.24380	1.9
319.20544	2.8
325.21710	9.8
335.20294	1.7
337.21634	7.7
339.22974	2.2
352.23993	71.5
363.27039	1.5
365.24884	11.5
371.22397	1.4
376.27292	1.7
378.25546	3.2
379.25534	1.5
391.26218	3.1
397.27316	4.5
398.28098	5.3
404.30835	7.4
411.28882	1.6
412.29730	18.1
425.30374	4.6
431.28940	1.5
438.31281	12.5
489.33310	4.9
490.34052	1.9
491.35135	9.3
492.35568	3.3
504.35983	100.0
505.36008	2.6
535.27881	1.5
566.40826	3.2
569.39575	2.7
584.42133	18.5
584.55817	3.3
595.57178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.0
55.05512	13.5
57.07070	11.5
57.74613	2.7
65.03944	4.2
67.05508	22.3
68.20479	2.2
69.03418	3.1
69.07075	15.3
69.77648	8.0
69.78060	5.2
70.06606	3.2
71.08642	3.3
75.70472	2.1
79.05489	29.7
81.07057	49.3
83.04963	2.8
83.08594	6.3
85.06530	4.4
89.06000	4.8
91.05482	52.7
92.06261	3.4
93.07046	65.9
94.07359	2.5
95.04959	26.1
95.08611	27.6
97.06554	2.6
97.10202	2.5
98.20992	6.0
103.05487	5.7
105.07035	100.0
107.05022	2.2
107.08599	45.3
109.06498	4.6
109.10139	19.3
115.05455	5.7
116.06247	4.7
117.07025	23.9
119.08587	90.3
121.06477	4.2
121.10146	41.0
123.08083	12.8
123.11703	8.6
125.09665	3.7
128.06232	13.3
129.07007	24.0
130.07765	8.1
131.08566	51.3
132.09390	3.7
133.06471	3.3
133.08626	3.3
133.10135	48.7
134.10818	2.7
135.08044	10.3
135.11691	15.5
137.09589	6.8
138.10400	6.1
139.11189	3.4
141.06976	9.9
142.07767	19.0
143.08557	50.5
144.09355	14.1
145.06499	3.4
145.10130	76.7
146.10817	3.3
147.04385	3.3
147.08063	6.4
147.11717	20.5
149.09615	9.7
149.13297	5.0
151.11230	3.9
153.07001	3.8
154.07762	5.9
155.08566	21.0
156.09358	20.4
157.10127	51.8
158.10840	7.8
159.08063	6.3
159.11702	38.0
161.09654	7.2
161.13190	10.6
163.11198	4.0
165.07022	9.4
166.07637	3.8
167.08559	10.0
167.10645	19.2
168.09317	7.9
168.10982	6.7
169.10104	34.3
170.10910	8.8
171.11690	29.2
172.12415	3.2
172.31357	2.2
173.09642	4.0
173.13301	25.6
175.11118	3.5
175.14740	12.3
178.07739	3.7
179.08563	13.0
180.09314	5.6
181.10112	15.2
182.10852	11.8
183.11697	25.9
184.12334	2.5
185.13254	17.2
187.11237	3.4
187.14833	10.3
189.12686	4.6
191.14310	8.7
192.09332	7.6
193.10213	14.5
194.10907	9.6
195.11707	29.0
196.12396	8.5
197.13283	20.1
198.13829	3.6
199.11086	2.9
199.14789	10.4
201.12770	3.4
201.16495	3.8
203.08588	3.6
203.14305	7.1
205.10161	4.4
206.10962	6.7
207.11705	19.2
208.12416	6.5
209.13229	19.0
211.14787	16.8
213.12729	4.5
213.16367	4.9
215.14224	2.6
217.10147	4.6
217.15848	4.0
218.10849	3.4
219.11707	7.2
220.12473	5.6
221.13266	10.6
221.15315	3.0
222.13895	4.8
223.14781	13.2
224.15541	4.2
225.16414	9.1
227.14352	2.9
230.10962	3.2
231.11732	5.3
232.12440	3.4
233.13283	7.1
234.14099	2.6
235.14856	11.6
236.15492	2.8
237.16397	9.6
239.17931	7.9
244.12349	2.9
245.13318	5.5
246.14059	3.0
247.14763	7.4
248.15233	2.9
249.16339	7.8
250.16963	2.6
251.18002	6.1
253.15886	3.5
253.19368	2.9
255.17389	2.9
256.26563	3.3
257.13266	4.2
257.19052	3.6
259.14807	5.0
261.16351	6.5
263.17841	4.7
265.16254	2.7
265.19543	5.7
267.17288	3.0
269.19189	4.0
271.20627	2.9
275.17905	3.6
277.19269	4.5
279.21100	2.3
281.19073	3.2
283.20462	6.9
287.17819	4.4
300.28891	6.0
305.22568	3.5
311.29422	7.9
321.22037	4.9
323.23679	4.1
347.23495	3.1
428.30731	3.9
446.31805	8.1
461.33929	3.7
492.36029	10.7
555.00372	2.3
566.40643	3.1
579.94360	2.5
584.41895	22.7
584.56000	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	584.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86419	1.6
53.03939	1.9
55.05491	1.7
63.14672	1.6
65.03934	2.3
67.05504	7.7
69.03429	2.8
69.07069	4.4
69.41389	12.2
72.94409	2.4
79.05486	7.2
81.03426	6.4
81.07047	5.6
82.32748	1.7
85.02925	8.3
91.05475	7.7
93.07045	8.9
93.70448	1.6
95.04960	12.6
97.02881	2.6
97.06538	2.5
97.53265	1.7
98.21259	6.8
103.05473	3.8
105.07073	8.6
107.04971	27.6
107.08579	3.2
109.10162	3.6
113.03529	2.0
115.05488	2.0
117.07036	4.0
119.08623	2.3
121.06505	6.2
121.10142	6.8
123.04430	12.0
124.05247	2.8
125.05997	3.3
129.07007	1.8
130.07823	4.0
131.08630	2.9
133.06392	2.3
133.10181	1.9
135.08034	5.3
137.05986	7.4
140.04686	5.4
143.08565	8.7
145.06505	3.9
145.10143	22.5
146.43044	1.8
149.05988	3.0
151.03941	3.6
153.01855	4.9
155.07037	7.3
155.08569	6.7
158.07263	16.2
159.08008	4.4
161.05971	3.5
161.09621	3.7
162.07581	1.7
163.07552	6.5
163.11148	4.0
166.06250	2.2
167.07056	100.0
167.10719	2.4
168.07425	2.2
171.06558	2.0
173.09633	41.0
175.07545	4.2
181.04994	15.1
181.08606	21.5
183.06578	7.1
183.09267	2.1
186.06851	2.8
189.09293	1.9
191.10718	4.7
193.08479	2.7
194.93051	1.7
195.10219	12.9
201.09131	73.9
218.09621	1.9
219.10150	15.3
221.11708	1.7
223.13319	3.9
225.90424	2.0
233.11749	61.7
251.12808	76.1
355.15372	2.8
387.18079	7.8
405.18979	6.8
435.02847	2.1
489.27145	2.2
584.29724	2.6
585.29919	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.05512	12.9
57.07072	7.3
59.05007	3.5
65.03940	4.1
67.05511	22.0
69.03417	3.9
69.07068	14.8
69.49908	1.7
70.02438	7.6
70.06582	3.8
77.03944	1.8
79.05499	26.4
81.07059	36.6
83.04965	5.5
83.08630	5.4
85.06527	5.7
89.06047	3.6
91.05486	59.5
93.07047	48.2
95.04975	38.7
95.08604	29.5
97.06549	2.4
97.88546	2.1
98.21228	4.4
103.05486	4.1
105.07037	85.0
106.07810	2.9
107.04939	2.8
107.08601	46.6
109.06529	6.3
109.10168	23.0
115.05459	7.1
116.06231	2.9
117.07025	26.2
119.08585	100.0
120.09336	6.0
121.06516	6.5
121.10146	33.8
123.08071	17.8
123.11713	7.5
125.09618	2.2
126.70084	2.3
128.06235	13.3
129.07010	24.8
130.07805	12.2
131.08571	62.5
132.09421	4.0
133.06502	5.4
133.10139	43.6
134.10889	3.6
135.08054	12.6
135.11707	15.2
137.06020	2.8
137.09621	6.5
138.10408	8.7
139.11142	2.0
141.07008	9.9
142.07780	18.5
143.08563	50.1
144.09367	9.3
145.06494	2.4
145.10133	66.0
146.10808	2.5
147.08032	6.2
147.11693	24.4
148.08904	2.1
148.12512	2.2
149.09641	9.4
149.13298	3.9
151.11183	5.4
153.06996	6.7
154.07866	2.5
155.08560	21.2
156.09367	14.8
157.10133	46.8
158.10921	9.1
159.08078	7.0
159.11710	34.1
161.09647	5.6
161.13309	7.4
163.11102	5.3
165.06935	9.5
166.07819	3.8
167.08508	8.8
168.09398	9.5
169.10129	22.8
170.10873	10.2
171.11696	29.0
172.12584	5.3
173.09668	2.8
173.13275	27.9
175.11169	5.4
175.14853	23.0
177.12730	3.0
178.07724	3.8
179.08554	10.7
180.09277	4.9
181.10143	20.9
182.10945	6.3
183.11691	34.1
184.12440	5.4
185.09683	4.1
185.13271	17.0
186.13954	2.1
187.11189	5.4
187.14828	14.5
189.12700	3.3
189.16412	2.6
192.09323	6.3
193.10179	13.1
194.10933	10.3
195.11711	23.5
196.12418	7.0
197.13264	21.9
198.14041	2.4
199.11259	4.7
199.14867	10.2
200.11816	2.0
200.15646	2.1
201.12709	5.8
201.16470	6.0
203.14301	3.7
205.10150	3.9
206.10886	4.9
207.11690	17.6
207.13576	3.3
208.12431	4.1
209.13263	23.6
211.14816	10.9
213.16362	4.6
215.14316	2.1
217.15868	4.6
218.10886	2.5
219.11644	3.9
219.17441	3.2
220.12399	3.8
221.13356	10.3
221.15236	2.5
222.14073	5.5
223.14786	9.0
224.15576	4.3
225.12790	2.6
225.16376	6.0
231.11639	2.8
231.17244	2.3
233.13231	6.5
234.14070	2.0
235.14795	9.3
237.16351	7.4
239.17972	5.0
245.13234	3.1
246.13934	2.6
247.14842	6.1
249.16325	6.6
251.17856	3.6
255.17418	5.5
259.14810	3.5
259.20743	2.5
261.16479	5.5
263.18015	4.1
265.19464	5.3
271.20685	3.0
273.16299	2.4
275.17972	5.9
277.19525	5.0
279.20938	2.5
291.17575	2.2
293.18927	2.6
297.22263	3.0
311.29465	6.2
321.22079	7.8
323.23651	4.3
336.24326	3.5
337.25226	2.8
347.23804	2.3
349.25293	3.6
354.25580	17.9
371.23666	2.6
409.25571	2.0
446.32050	8.8
478.90021	2.1
492.36295	11.5
498.91025	2.4
584.42157	25.1
584.56146	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09870	1.1
53.03939	1.3
55.05515	9.3
56.54840	1.2
57.07086	8.8
59.04991	3.8
65.03918	1.5
67.05512	12.5
69.03429	3.7
69.07075	9.3
69.54256	3.6
69.54671	5.4
69.86245	1.2
74.95892	1.1
77.03937	1.6
79.05494	14.0
81.07060	20.3
83.04982	3.4
83.08617	3.7
85.06539	4.4
91.05483	26.4
93.07047	39.7
95.04961	6.6
95.08614	24.2
97.06532	3.1
97.10138	1.4
98.21526	2.4
103.05500	1.8
105.07033	40.9
107.08597	29.9
109.06508	5.3
109.10163	13.6
111.08108	2.6
115.05443	2.0
117.07015	10.5
119.04917	1.4
119.08585	53.8
121.06514	3.5
121.10158	23.4
122.76221	1.5
123.08076	13.9
123.11707	4.3
125.06027	2.1
128.06253	3.5
129.06995	8.0
130.07774	2.4
131.08583	19.5
133.06490	2.9
133.08655	1.4
133.10133	31.5
135.08058	8.8
135.11696	14.1
137.06070	1.5
137.09622	9.6
139.07484	1.7
141.07033	4.4
142.07797	11.6
143.08582	19.2
144.09363	5.0
145.09023	3.0
145.10129	34.7
147.08058	14.0
147.11700	9.7
149.09607	6.2
149.13315	2.5
151.07555	17.7
153.07025	2.5
153.09065	1.6
154.07793	2.0
155.08569	9.7
156.09326	8.3
157.10147	29.4
158.10925	3.8
159.08073	2.5
159.11696	17.7
161.09663	4.3
161.13261	6.7
163.11148	7.2
165.07071	2.6
165.09135	23.9
167.08626	4.7
168.09378	4.8
169.10141	17.2
170.10913	3.0
171.11688	18.2
172.12489	2.0
173.09645	2.2
173.13274	12.4
175.11194	2.4
175.14857	10.6
177.09193	1.3
177.12788	2.4
178.07791	1.8
179.08566	5.4
180.09300	2.9
181.10139	7.7
181.12279	5.2
182.10950	4.4
183.11696	18.9
185.13300	9.1
187.11234	3.1
187.14856	6.9
189.12788	6.3
191.14397	2.4
193.10141	5.8
194.10942	5.0
195.11703	12.2
196.12511	3.6
197.13295	11.2
199.11272	1.9
199.14880	4.0
201.12738	2.5
201.16451	4.7
203.14362	10.3
205.10316	1.4
205.15961	2.9
206.10957	3.4
207.11752	7.1
207.13853	5.9
208.12517	2.8
209.13287	14.9
209.15160	2.4
210.14034	2.1
211.11273	1.7
211.14861	6.3
213.16385	2.4
215.14355	2.6
219.11757	3.1
219.17632	2.8
220.12517	2.6
221.13290	6.5
221.15352	55.6
222.13931	2.2
223.14803	8.0
225.12714	2.6
225.16438	3.4
227.14314	2.4
227.18007	1.7
231.11871	1.8
232.12642	1.8
233.13309	3.4
234.14024	1.4
235.14822	6.3
236.15588	1.7
237.16405	4.9
239.18152	1.9
245.13223	3.4
246.14157	2.7
247.14743	3.6
247.17043	2.2
249.16498	4.7
250.17091	1.6
251.18082	2.8
255.17416	1.5
258.14163	1.7
259.14700	1.7
261.16342	3.1
263.17963	2.1
265.19516	5.5
267.17560	2.2
269.19107	1.6
271.20630	2.2
273.16315	2.2
275.17923	3.6
277.19736	2.0
283.20532	9.1
285.21973	1.4
286.19397	1.7
287.20166	3.8
289.19635	2.1
291.21164	1.7
297.22058	2.3
299.20102	1.9
315.21078	1.8
325.21600	1.7
331.24371	1.9
333.22345	1.5
347.23843	1.6
349.21603	1.5
349.25363	4.0
364.23865	2.0
374.80447	1.3
375.26797	6.2
377.24731	1.8
385.27753	2.5
399.28940	2.4
403.29993	2.6
425.30597	3.3
464.33252	2.3
477.33865	1.9
491.35242	55.2
492.35599	2.5
525.60419	1.3
565.40277	9.7
580.77740	1.5
583.41510	100.0
584.41742	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.3
53.03944	6.9
55.05509	14.8
57.07077	11.3
59.05002	4.6
65.03944	6.3
67.05505	25.3
69.03418	9.4
69.07066	15.7
69.30989	17.7
75.53516	2.1
77.03933	2.2
79.05494	27.5
79.64652	2.0
81.07053	34.4
83.04964	7.6
83.08617	11.9
85.06531	6.8
91.05479	56.1
93.07049	59.4
95.04982	14.1
95.08611	39.4
97.06538	7.3
98.21252	9.2
103.05465	4.8
105.07028	81.3
107.04960	2.2
107.08599	45.5
109.06515	11.7
109.10162	22.9
111.08102	3.0
111.83855	2.1
115.05476	8.1
116.06257	3.4
117.07015	21.3
119.05021	2.1
119.08580	92.4
121.06525	6.8
121.10145	53.7
123.08070	18.0
123.11730	4.3
125.05979	3.6
125.09707	3.2
128.06245	12.7
129.07007	20.5
130.07767	8.3
131.08578	36.0
133.06499	3.1
133.10129	38.2
135.08063	10.3
135.11713	15.7
137.09613	10.8
139.11176	2.8
141.06978	10.0
142.07791	29.4
143.08557	49.7
144.09320	7.7
145.06554	2.2
145.10126	51.9
147.08072	18.0
147.11707	12.9
149.09624	8.9
149.13245	5.3
151.07520	13.0
151.11153	3.3
153.07011	7.7
154.07851	3.2
155.08546	19.4
156.09372	24.0
157.10139	54.4
158.10933	9.8
159.08070	5.9
159.11685	31.3
161.09634	9.0
161.13321	6.5
163.11153	10.5
165.06995	9.8
165.09109	30.3
166.07829	3.8
167.08543	12.6
167.10732	11.4
168.09343	9.7
169.10152	28.6
170.10950	10.9
171.08061	2.7
171.11687	33.1
173.09610	3.0
173.13264	30.9
175.11182	5.9
175.14870	8.9
178.07829	3.8
179.08549	19.4
180.09390	8.4
181.10191	15.4
181.12230	7.8
182.10896	9.7
183.11702	29.7
184.12491	7.6
185.09657	2.4
185.13243	19.6
187.11340	4.6
187.14883	7.6
189.12747	8.7
191.14349	8.9
192.09377	5.2
193.10139	19.1
194.10863	13.9
195.11710	25.6
195.13531	3.6
196.12511	7.1
197.13271	21.0
199.11223	3.8
199.14835	18.6
201.16454	2.8
203.14297	17.2
205.10228	5.8
206.10971	11.4
207.11736	25.0
207.13817	7.8
208.12492	10.3
209.13274	30.1
209.15115	2.8
210.14020	4.3
211.11081	2.4
211.14795	14.2
213.12738	4.8
213.16412	4.2
215.14407	4.0
217.10150	5.3
217.15845	12.4
218.10878	3.2
219.11629	12.7
220.12502	8.8
221.13263	18.9
221.15411	65.6
222.14047	5.4
223.14835	16.9
224.15546	3.2
225.12811	3.6
225.16428	7.0
230.10979	3.6
231.11714	9.6
231.13826	2.7
231.17435	2.8
232.12463	5.6
233.13249	11.2
233.15463	7.2
234.14023	6.2
235.14798	12.9
236.15703	3.8
237.16389	9.1
239.14473	3.1
239.17892	4.1
241.16010	3.1
243.11809	2.3
244.12466	2.9
245.13266	8.4
246.14069	7.4
247.14793	12.4
249.16373	10.2
251.14337	2.6
251.17990	3.9
257.13281	2.7
257.19080	5.2
258.14178	2.9
259.14853	8.6
260.15579	4.4
261.16446	9.2
263.18039	5.6
265.19553	7.6
269.19009	3.7
272.15778	2.6
273.16391	4.9
275.17798	13.6
277.19589	6.9
283.20587	16.0
287.20300	4.9
289.19608	4.5
291.21194	3.2
295.20526	4.6
297.22122	7.0
300.20898	3.3
301.19150	2.8
305.19168	2.7
312.20938	2.6
317.22589	2.5
329.22464	2.8
331.24124	3.9
347.23874	2.6
348.24518	2.4
349.25305	8.8
361.25235	3.6
375.26907	6.3
387.27316	2.2
403.29956	7.5
431.29825	2.4
491.34952	7.2
503.35452	3.5
547.39508	3.6
565.40448	23.2
583.41376	100.0
584.41754	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.05515	16.3
55.31007	2.0
56.15047	2.2
57.07069	14.5
59.04991	3.8
60.89456	2.1
62.07768	1.9
64.60938	1.9
65.03922	5.7
67.05514	24.6
69.03432	9.8
69.07066	21.6
69.36579	4.5
69.36977	16.6
69.96332	1.9
70.52887	2.0
79.05493	31.2
81.06635	3.4
81.07068	39.7
83.04972	11.4
83.08613	8.4
85.06543	10.3
91.05486	59.8
93.07047	68.6
94.07394	2.4
95.04967	13.0
95.08606	39.5
97.06540	4.3
97.10171	2.6
98.20859	7.5
99.84083	2.1
103.05454	2.8
105.04542	2.0
105.07032	88.7
107.08598	53.9
109.06506	10.7
109.10152	23.7
111.08070	3.2
115.05445	6.4
116.06263	2.7
117.07016	21.3
119.08584	100.0
120.08955	2.3
121.06526	5.7
121.10150	61.7
123.08071	18.6
123.11714	5.7
125.09660	2.9
128.06210	17.9
129.07022	25.5
130.07767	7.7
131.08562	45.7
132.09084	3.1
133.06596	3.0
133.10130	48.4
135.08063	12.1
135.11693	16.4
137.09636	12.4
141.07005	16.2
142.07788	35.2
143.08562	52.9
144.09363	8.4
145.10130	66.6
146.10669	2.7
147.08012	19.4
147.11703	18.6
149.09608	6.7
149.13301	7.5
151.07542	15.1
153.07013	5.7
154.07834	2.3
155.08546	24.3
156.09341	23.6
157.10138	68.1
158.10907	9.2
159.08060	5.2
159.11705	33.2
161.09619	7.5
161.13258	5.7
163.11195	8.0
165.07027	10.6
165.09109	38.5
166.07750	5.3
167.08525	16.4
167.10643	15.6
168.09331	11.0
169.10115	38.5
170.10909	10.2
171.11679	37.1
172.12340	2.3
173.09654	4.6
173.13264	27.4
175.11179	5.5
175.14874	9.1
177.09111	2.7
179.08559	19.5
180.09346	8.5
181.10135	23.2
181.12241	12.0
182.10960	6.7
183.11716	32.7
184.12526	8.2
185.09590	3.3
185.13272	25.1
187.11183	4.6
187.14861	7.6
189.12778	9.4
191.08565	4.6
191.10666	2.5
191.14264	14.8
192.09386	11.3
193.10120	20.4
193.11720	2.8
194.10889	14.3
195.11694	31.4
196.12445	6.4
197.09636	2.9
197.13239	24.5
199.14810	22.9
201.12802	2.5
201.16516	4.3
203.14250	15.3
205.10106	6.1
206.10942	13.7
207.11737	28.3
207.13911	6.7
208.12479	12.0
209.13254	36.0
209.15100	4.0
210.14072	5.1
211.14867	16.0
213.12810	4.8
213.16527	3.2
216.09332	2.6
217.10086	4.9
217.15898	9.1
218.10851	3.2
219.11755	9.6
220.12418	9.1
221.04271	2.4
221.13271	20.7
221.15419	67.0
222.13983	7.6
223.14792	19.3
224.15565	2.6
225.12849	3.4
225.16380	10.0
227.14326	2.2
227.17842	2.2
229.10156	4.5
230.10843	4.1
231.11723	8.6
232.12479	6.6
233.13278	13.6
233.15442	7.3
234.13916	5.1
235.14793	16.3
237.16391	9.7
239.18005	6.6
243.11693	3.8
244.12578	4.1
245.13245	9.6
246.14059	5.7
247.14796	9.2
247.17039	4.1
248.15518	2.3
249.16457	11.4
250.17250	3.5
251.18065	5.1
253.19534	3.3
255.17497	2.3
257.13220	5.1
257.19016	6.2
258.13754	2.5
259.14841	7.9
260.15628	7.3
261.16418	11.6
263.18033	7.8
265.19617	9.0
267.17349	3.2
269.19086	5.7
271.20612	2.4
273.12509	2.5
273.16400	6.9
275.17917	15.9
276.18619	3.0
277.19513	5.8
279.21072	2.3
281.19113	3.0
283.20581	17.3
285.16284	4.2
287.17618	3.8
287.20239	6.4
289.19485	5.0
291.21082	2.1
293.19180	2.8
295.20560	4.9
300.21112	3.0
301.19421	5.0
303.21082	2.4
307.20645	3.8
309.22241	4.9
313.21774	2.5
315.21118	3.0
327.21118	2.2
329.22733	4.6
331.24292	6.5
341.22433	3.0
343.24402	2.4
349.25406	9.2
353.24414	2.7
366.25006	2.4
373.25275	3.1
375.26706	8.5
403.29837	4.7
488.32364	2.4
491.35065	8.8
496.26663	2.6
503.35263	7.9
547.39514	2.7
565.40472	20.2
583.41431	97.2
584.41534	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01851	2.2
55.05513	20.9
57.07081	9.6
59.04992	6.1
65.03944	6.1
66.12879	2.0
67.05506	32.7
67.86539	1.8
69.03432	8.6
69.07075	24.3
69.48145	14.2
71.04988	4.5
77.03960	3.7
79.05499	30.9
81.07061	40.4
83.04984	9.7
83.08620	11.9
85.06554	7.3
91.05480	55.1
93.07049	71.3
94.07384	3.4
95.04960	11.4
95.08607	38.7
97.06553	5.9
103.05477	6.1
105.07032	78.1
107.08603	52.0
109.06538	9.0
109.10161	28.9
111.08148	3.9
115.05486	9.0
116.06238	3.5
117.07008	20.4
119.08583	97.8
121.06524	6.6
121.10153	68.4
123.08079	17.3
123.11721	6.8
125.06024	3.4
125.09555	4.2
128.06201	15.4
129.07024	21.5
130.07814	9.6
131.08572	38.5
133.06546	2.3
133.10132	49.7
133.11069	3.7
135.08044	11.5
135.11688	16.5
137.09621	11.7
139.11188	4.5
141.06996	8.9
142.07793	34.1
143.08578	46.7
144.09389	10.3
145.06555	2.8
145.10127	68.8
147.08057	13.9
147.11691	16.2
149.09650	11.8
149.13297	4.4
151.07530	11.0
153.06989	5.1
153.12653	2.6
154.07782	6.4
155.08556	18.5
156.09378	18.6
157.10136	57.1
158.10884	11.4
159.08131	7.6
159.11714	35.5
161.09642	6.8
161.13275	11.9
163.11150	9.8
163.14967	2.4
165.07047	10.5
165.09114	19.3
166.07816	6.4
167.08574	13.9
167.10681	40.2
168.09387	8.4
169.10130	32.0
170.10876	12.8
171.11697	34.1
172.12184	3.5
173.09647	5.8
173.13255	24.7
175.11253	7.3
175.14809	12.9
178.07814	3.8
179.08531	18.2
180.09303	7.2
181.10182	21.0
181.12265	6.0
182.10930	10.3
183.11710	32.7
184.12421	5.0
185.09697	2.6
185.13269	23.3
186.13751	2.4
187.11282	3.8
187.14870	8.5
189.12810	6.5
191.08606	4.3
191.14346	9.0
192.09427	6.3
193.10130	20.9
193.11952	2.3
194.10928	15.5
195.11703	26.1
196.12437	10.1
197.13286	28.8
199.14795	15.6
201.12814	4.8
201.16492	4.8
203.08672	2.5
203.14383	10.4
205.10223	4.6
205.15950	2.2
206.10960	8.4
207.11728	20.7
207.13725	5.7
208.12393	12.1
209.13269	33.2
209.15175	2.8
210.14014	5.5
211.11427	2.5
211.14774	13.6
213.12746	5.1
213.16457	4.9
215.14345	6.3
217.10191	5.3
217.15919	9.4
218.10820	2.5
219.11754	7.8
219.17491	2.9
220.12448	8.1
221.13309	24.2
221.15457	39.1
222.13933	3.7
223.11293	2.4
223.14806	16.1
224.15527	2.7
225.12761	4.1
225.16478	6.5
227.14325	2.7
229.15901	2.9
230.11023	3.5
231.11772	8.0
232.12567	6.4
233.13269	12.8
233.15506	14.3
234.14012	5.3
235.14932	12.0
235.16875	2.7
236.15483	4.0
237.16454	8.5
239.14542	2.8
239.17935	3.0
241.15985	3.2
243.11867	3.4
245.13324	9.3
246.14160	7.7
247.14790	12.0
248.15456	3.6
248.36096	2.1
249.16394	10.7
251.14377	3.7
251.17947	4.2
255.17561	5.1
257.13266	3.5
257.18979	4.8
258.14063	2.5
259.14862	7.2
260.15656	6.0
261.16504	9.4
262.17114	2.9
263.17960	5.1
265.19601	7.5
267.17813	2.2
269.19034	4.7
273.16534	6.4
274.16989	3.6
275.17911	15.2
276.18655	3.9
277.19687	3.6
281.19171	4.3
283.20569	14.0
287.17776	3.8
287.20493	3.0
289.19617	4.1
291.21176	3.0
295.20734	4.5
297.22250	4.3
299.20435	4.4
303.20996	2.9
309.22040	3.1
311.20343	3.8
315.21213	3.9
321.22110	2.5
331.24316	5.9
335.23669	2.2
348.88730	2.2
349.25366	6.5
361.25607	2.8
365.24698	3.1
375.26984	7.9
379.26355	2.4
491.35095	4.4
491.96707	2.2
500.72107	2.5
503.35065	4.3
509.33710	3.4
547.39349	5.4
565.40369	17.3
568.38580	2.9
583.41486	100.0
584.41675	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01863	5.1
55.05261	2.1
55.05513	28.9
57.03438	12.2
57.40631	1.9
57.42246	1.3
58.33067	1.4
59.04993	4.7
65.03931	3.9
67.05505	96.2
69.03431	21.7
69.07075	11.2
71.01341	1.6
71.05002	10.0
71.30149	2.6
79.05496	26.2
81.03419	100.0
81.07059	33.1
83.04979	21.8
83.08152	2.0
83.08625	23.8
85.02907	21.6
85.06540	4.4
86.92561	1.6
91.05482	27.5
93.07043	20.1
95.04970	25.5
95.08604	14.7
97.02898	15.6
97.06530	3.7
97.10168	16.2
99.04481	4.9
100.00222	1.7
103.05495	3.0
105.07032	19.0
107.04944	8.5
107.08590	13.8
109.02886	18.1
109.06512	5.2
109.10158	68.1
111.04449	17.6
111.08080	10.6
113.05984	2.1
115.05488	2.0
117.07002	4.0
119.04956	1.8
119.08588	20.1
121.06512	5.1
121.10133	9.9
123.04430	3.7
123.08088	4.0
123.11700	1.6
125.09650	9.0
127.03925	11.9
129.06979	8.5
131.04907	2.5
131.08556	9.4
133.06474	2.9
133.10106	10.0
135.08070	3.2
135.11708	2.6
137.05972	3.4
137.09607	4.4
143.08617	2.3
145.06497	2.0
145.10146	5.4
147.08012	3.1
147.11678	12.8
149.06000	3.4
149.09618	6.8
151.11212	2.0
153.12857	2.0
155.10693	6.2
157.10095	9.6
161.09605	1.5
163.11229	4.2
165.12733	5.0
167.07057	3.5
171.11742	2.1
173.10097	1.9
173.11731	19.3
175.11147	7.9
187.11278	2.3
189.11252	6.8
189.12775	1.8
190.95403	1.6
191.10738	3.2
193.12256	33.3
197.11717	1.8
199.11334	1.9
209.11618	1.8
211.13272	47.6
211.15225	2.5
217.12308	2.5
227.12733	9.1
229.14337	22.2
231.13689	1.7
235.13370	2.1
263.12854	1.9
267.15973	7.5
277.14450	4.3
285.16873	4.6
291.15967	2.4
299.14905	9.4
301.14154	7.3
309.16953	4.0
319.15588	3.1
331.17596	3.0
337.16516	5.2
351.17975	2.1
355.17520	14.2
373.18539	3.4
375.18143	2.2
393.18939	2.4
411.20062	4.0
421.25641	8.1
439.26910	22.6
439.39990	1.6
463.26810	3.1
505.27853	8.3
529.27985	2.2
547.28943	2.7
565.30164	10.6
583.31042	90.5
584.31403	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.3
53.03943	8.3
55.01869	5.7
55.05516	19.6
57.03440	9.8
57.07063	2.4
59.04992	3.7
65.03934	5.7
67.05507	100.0
69.03432	22.5
69.07069	7.2
69.59290	6.1
69.59698	3.1
69.78748	1.3
71.01344	1.8
71.04994	8.7
77.37990	1.2
79.05495	23.5
80.69559	1.3
81.03419	88.7
81.07059	31.8
83.04984	18.8
83.08621	18.4
85.02905	19.4
85.06548	5.3
91.05486	23.6
93.07037	18.6
95.04980	19.1
95.08614	12.8
97.02899	15.1
97.06542	5.8
97.10182	7.1
98.20860	2.8
98.21462	2.8
99.04460	6.3
105.07038	16.8
107.04969	6.7
107.08597	13.7
109.02871	17.6
109.06526	3.9
109.10162	61.6
109.10926	3.0
111.04440	15.7
111.08085	9.1
113.05979	2.3
115.05486	2.0
116.34480	1.5
117.07036	3.8
119.08585	15.4
121.06496	3.8
121.10151	7.8
123.04478	2.1
123.08100	4.2
123.11703	2.2
125.09610	8.3
127.03911	11.8
129.05490	3.2
129.06993	8.2
131.04942	2.2
131.08582	4.7
133.06508	3.5
133.10103	7.9
133.93437	1.5
135.08044	2.4
137.05983	3.8
137.09628	5.2
138.42084	1.5
138.50490	1.4
139.11214	1.6
141.57712	1.5
142.07874	1.7
143.08594	1.4
145.10153	5.2
147.04443	1.6
147.08051	3.4
147.11684	10.9
149.09642	5.9
155.10687	4.3
157.10129	7.5
161.09711	1.5
163.11208	4.5
165.12814	2.4
167.07063	5.5
173.04535	1.9
173.09570	1.5
173.11742	18.1
175.11188	8.9
181.12248	2.5
185.35651	1.2
189.11220	4.0
189.12804	2.8
191.10712	2.9
193.12251	30.3
211.13286	56.5
217.12263	1.9
227.12802	7.3
229.14330	15.0
235.13301	3.1
249.14871	2.2
267.15930	10.3
277.14319	1.7
285.16986	4.0
299.15024	4.8
301.14371	3.1
309.16916	1.6
319.15445	2.8
329.21109	1.9
337.16678	4.4
355.17511	11.2
411.20154	5.8
421.25641	7.3
439.27100	15.3
455.26089	2.2
463.27002	2.1
505.28033	4.0
509.27405	2.0
547.28778	2.0
565.29944	6.1
583.31073	91.6
584.31104	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	583.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69908	1.7
55.01870	2.0
57.65274	1.6
69.96899	6.2
70.06606	2.7
78.52667	1.7
90.30759	1.4
95.04967	3.0
98.20923	3.9
98.21457	1.9
111.04421	2.1
119.04963	5.1
123.03563	2.8
123.04430	48.0
127.03927	1.9
137.02328	5.2
139.03908	100.0
144.08086	3.2
147.04405	14.9
151.03877	3.5
153.01816	4.3
161.06003	4.7
165.05496	14.1
179.06921	1.8
207.06544	6.0
212.12784	3.3
267.98706	1.9
273.07547	3.3
273.59494	1.6
282.56812	1.9
291.08618	31.9
403.17792	2.6
451.12234	2.3
570.89905	1.7
594.95355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03437	7.5
61.02916	2.5
68.01516	0.8
68.99799	0.9
69.03064	1.2
69.03426	12.2
70.21709	1.8
71.01344	1.7
73.02916	17.3
74.17867	0.7
85.02907	5.4
95.04957	0.9
97.02279	1.1
97.02889	18.5
98.20871	1.2
98.21453	1.6
99.04417	1.1
103.03947	0.9
109.02863	0.9
110.38592	0.8
111.00792	1.4
115.03935	9.6
133.04965	1.6
137.02292	2.1
139.03885	1.0
153.01802	13.2
165.01886	4.2
174.23409	0.8
179.03416	2.1
183.02829	0.8
203.03568	0.8
211.06047	3.7
217.04991	2.9
232.03853	1.0
236.88631	0.8
243.02818	0.7
245.04526	4.0
249.78531	0.8
261.11966	1.0
263.05173	0.8
273.03900	4.7
290.04184	1.2
297.03802	0.8
301.03397	1.1
319.04474	100.0
320.04730	1.4
329.02954	1.3
331.04474	10.9
343.00595	0.8
343.04407	4.2
345.05807	1.3
357.06003	2.4
361.05585	8.2
369.06070	2.1
373.05569	1.1
385.05493	6.8
397.05533	2.8
415.06662	8.8
433.07520	4.9
451.08694	15.3
528.92120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01876	5.7
55.05262	2.2
55.05515	30.4
57.03434	9.6
59.04999	6.1
65.03928	5.9
67.05507	100.0
69.03439	24.1
69.07065	9.5
71.04984	8.4
73.06575	1.9
78.04722	2.8
79.05495	26.2
80.82936	1.5
81.03420	90.3
81.07063	39.2
82.22902	1.9
83.01333	3.8
83.04980	20.7
83.08618	24.1
85.02912	22.7
85.06567	3.4
91.05488	33.4
93.07052	24.5
94.04205	2.2
95.04966	23.8
95.08624	16.5
97.02898	15.3
97.06548	6.4
97.10155	12.9
98.20929	12.1
99.04458	7.0
99.08111	3.4
103.05446	2.0
105.07028	22.4
107.04966	14.1
107.08610	13.7
107.55885	2.6
109.02879	17.0
109.06517	6.2
109.10161	66.3
111.04445	17.7
111.08055	9.7
113.03471	3.1
115.05492	3.3
117.07044	5.0
119.08588	22.7
121.06499	4.0
121.10144	13.3
122.03660	2.9
123.04447	5.1
123.08073	2.5
123.11700	3.9
125.06038	2.8
125.09657	9.9
127.03930	17.7
128.06216	2.4
129.07011	8.3
131.05037	2.4
131.08575	6.2
133.06529	7.1
133.10126	11.5
135.08083	3.3
135.11728	5.8
137.05983	19.7
137.09644	7.6
143.08549	2.8
145.06511	4.5
145.10126	4.7
147.04405	4.5
147.08090	4.3
147.11681	13.6
149.06007	3.8
149.09615	6.7
149.13277	3.1
151.03951	5.0
151.07553	3.1
153.01862	3.8
155.10661	3.2
157.10149	8.6
159.08115	2.1
159.11636	2.3
161.06004	3.6
163.11244	5.2
165.12761	3.7
167.07063	22.7
173.06006	4.7
173.11757	15.2
175.07565	3.1
175.11221	9.1
177.05652	2.7
179.07030	2.7
181.05013	7.4
181.12279	3.3
189.05505	2.4
189.11256	5.6
191.10686	4.3
193.12259	29.5
193.13876	2.9
195.06511	4.6
199.06030	8.1
205.08594	3.3
207.06487	2.4
209.08064	3.2
211.13298	47.4
223.09683	2.9
227.12827	7.7
229.12071	4.5
229.14391	15.1
235.09700	3.9
263.12695	3.3
267.16031	7.3
269.08618	2.2
285.17142	3.2
299.14999	8.8
337.16479	3.3
355.11600	2.8
355.17731	9.2
385.12796	2.7
385.23685	2.3
387.14548	4.6
403.24820	12.8
411.20258	2.2
412.59650	1.9
421.25989	11.1
439.26752	14.2
455.26630	3.1
463.26968	2.7
505.28311	3.3
529.27655	2.6
535.29639	2.1
547.19781	2.8
547.28552	5.2
553.20746	2.4
565.21753	3.5
565.29694	10.5
583.22534	3.9
583.31134	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.6
55.01870	7.3
55.05267	2.0
55.05515	31.5
57.03439	8.7
59.04995	4.0
65.03933	2.9
67.05506	100.0
69.03425	21.2
69.07072	5.5
71.02322	2.7
71.02661	1.9
71.04988	6.8
79.05500	24.3
81.03420	92.5
81.06585	2.1
81.07057	34.5
83.04996	19.1
83.08617	21.5
85.02907	21.1
85.06543	3.6
89.41788	1.7
91.05479	25.7
93.07064	18.9
95.04965	22.2
95.08611	11.8
97.02909	13.0
97.06544	4.9
97.10171	10.4
98.21298	2.4
99.04445	4.1
105.07032	18.3
107.04929	8.8
107.08605	13.8
109.02881	19.2
109.06514	5.5
109.10159	60.9
111.04445	17.0
111.08110	10.7
117.07018	4.4
119.04946	1.9
119.08583	17.0
121.06519	4.0
121.10150	8.4
123.04441	4.9
123.08031	1.9
125.09635	6.2
127.03912	12.7
129.05527	2.6
129.07016	7.8
131.04964	2.1
131.08559	7.6
133.10159	9.2
135.08055	3.9
135.11746	2.3
137.09651	5.0
142.07808	2.8
145.06520	1.7
145.10089	3.4
147.08078	4.5
147.11678	12.5
149.06001	2.1
149.09648	4.2
153.12773	2.2
155.10667	5.3
157.10139	10.0
163.11221	4.2
165.01814	3.5
165.12819	3.2
167.07086	4.4
173.09634	2.2
173.11743	19.8
175.11250	6.8
181.12312	2.7
189.11304	5.3
189.12828	2.6
191.10664	2.8
193.12248	28.7
211.13304	53.3
211.15260	3.0
227.12823	6.5
229.14359	13.5
235.13280	2.7
249.14923	2.1
254.73961	1.9
267.15945	9.2
267.47632	1.7
273.15091	2.5
277.14413	2.1
279.15857	1.8
285.07675	2.9
285.17133	6.4
299.15060	7.5
301.14346	4.7
319.15604	3.0
323.61569	2.0
331.17590	2.4
337.16467	2.2
355.17532	11.3
379.26877	1.6
385.13245	2.2
403.24997	2.4
411.20163	4.6
421.25934	7.4
439.26981	12.8
455.26346	2.1
463.27127	2.4
505.28247	3.6
547.28827	3.7
565.29895	8.5
583.31165	95.4
584.31354	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	581.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01867	9.4
55.05267	1.9
55.05514	34.4
57.03431	6.7
59.05001	4.9
61.85598	1.4
65.03937	2.5
67.05508	85.3
68.07993	1.5
69.03124	1.8
69.03437	22.0
69.07064	8.0
71.01350	2.3
71.04990	7.6
71.20661	1.4
71.56802	1.5
72.39515	1.3
79.05496	29.5
81.03423	78.5
81.07061	34.8
83.01337	6.9
83.04984	23.1
83.08626	14.8
85.02906	10.3
85.06544	4.0
91.05481	23.1
93.07047	31.7
95.04969	9.8
95.08611	12.4
95.97248	1.6
97.02895	18.8
97.06540	5.3
97.10174	11.5
98.21082	2.1
99.04440	7.4
103.05478	1.9
105.07024	12.2
107.04952	10.2
107.08592	18.1
109.02885	19.7
109.06521	6.1
109.10162	52.4
110.10465	1.9
111.04457	20.3
111.08082	3.9
113.71931	1.5
115.05428	1.7
117.06998	7.2
119.08593	13.3
121.06495	4.2
121.10114	7.9
123.04455	3.0
123.08070	5.5
125.09610	11.2
127.03926	15.0
129.06995	3.5
131.08571	4.8
133.10168	4.9
135.08060	3.1
135.11700	9.8
137.06023	1.4
137.09624	3.9
143.08496	1.8
145.06482	2.1
145.10101	13.4
147.08032	2.5
147.11690	1.7
149.06015	2.0
149.09708	1.5
153.12738	6.2
155.08594	1.6
155.10623	4.1
163.11205	19.9
171.10191	1.8
173.09584	3.0
173.11774	17.7
181.12231	6.6
189.11208	8.6
191.10670	5.5
193.12219	2.8
209.11746	10.4
227.12808	12.8
229.14409	4.1
235.13361	1.7
265.75888	1.4
283.15549	4.0
299.14960	14.7
307.15619	1.8
353.15964	5.5
355.17508	7.5
437.25143	9.9
442.56531	1.6
507.26260	2.6
563.28467	3.1
581.29504	100.0
582.29797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01860	4.6
55.05516	26.7
55.07103	1.2
55.81166	1.0
57.03436	12.4
57.07055	1.4
59.04993	4.4
60.55693	1.1
65.03929	4.6
67.05508	100.0
69.03431	21.7
69.07073	8.5
71.01326	1.8
71.04993	7.6
73.02897	1.1
73.44511	1.2
79.05061	1.4
79.05499	24.0
79.09274	1.2
81.03423	93.6
81.07060	35.1
82.71890	1.1
83.04989	19.1
83.08133	1.7
83.08624	22.1
85.02911	22.1
85.06528	3.3
86.00536	1.2
91.05486	32.3
93.07046	20.4
95.04966	27.8
95.08597	11.1
97.02896	15.4
97.06517	4.2
97.10174	14.6
98.20843	5.0
98.21529	2.4
99.04459	4.4
103.03919	1.5
103.05497	2.4
105.07030	16.3
107.04967	10.6
107.08601	12.6
109.02881	15.2
109.06488	4.7
109.10161	64.6
110.99995	1.2
111.04447	14.7
111.08072	10.4
113.05974	1.5
115.05422	2.1
117.07027	4.8
119.08585	17.7
121.06525	2.8
121.10149	7.0
123.04420	4.1
123.08079	2.6
123.11624	1.5
124.30589	1.3
125.09627	8.0
127.03919	13.5
129.07007	8.6
131.04933	1.9
131.08580	10.0
133.06490	3.0
133.10135	8.5
135.08121	2.1
135.11699	3.1
137.06003	2.2
137.09590	6.9
139.03909	1.6
142.07803	1.9
143.08582	2.6
145.06493	3.9
145.10129	2.4
147.04390	2.7
147.08040	2.2
147.11676	11.0
149.05974	3.1
149.09637	5.9
153.09073	2.2
153.12776	1.3
155.08617	1.6
155.10674	3.7
157.10149	8.9
159.08090	2.2
163.11205	3.5
165.05515	1.3
165.12784	1.8
169.10120	1.7
170.90974	1.4
171.07993	1.6
171.11699	2.8
173.09610	1.8
173.11729	19.9
175.11197	7.9
177.12680	1.2
181.12263	2.3
189.11230	6.7
189.12665	2.8
191.10667	1.8
193.12256	31.4
195.08174	1.6
209.11688	1.8
211.13287	38.8
217.12299	2.6
227.12810	7.0
229.14343	30.1
230.18910	1.3
231.13881	2.0
235.13321	3.9
249.14868	1.9
256.57538	1.3
259.13229	1.7
267.15939	9.2
275.20090	1.6
277.14325	6.4
281.13638	2.5
285.17023	3.3
291.15961	1.9
299.14948	8.7
301.14249	6.0
303.15817	1.3
309.16937	4.2
319.15518	3.7
331.17679	2.9
337.16559	2.2
351.18076	3.1
355.17560	11.9
368.38058	1.4
373.18457	3.4
375.17960	1.7
393.19061	3.4
403.24817	1.5
406.43054	1.6
411.20203	3.2
421.25848	7.7
439.26889	20.0
455.26193	1.8
463.26532	2.4
505.27957	10.1
529.27838	3.1
535.28766	2.6
547.28851	5.7
565.29913	10.1
583.31012	76.7
599.11908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
53.37149	1.0
55.05496	1.9
56.60449	1.3
57.03437	31.9
59.96414	1.3
61.02932	6.5
70.73678	3.0
75.04505	1.3
79.05482	3.3
81.03407	4.5
81.07044	5.6
83.05023	1.3
85.02900	5.9
91.05471	6.5
93.07053	3.6
94.89081	1.1
95.02446	3.4
95.04960	1.8
99.04462	13.2
103.03943	14.4
103.05431	2.5
105.07031	4.5
107.04989	7.9
109.02880	9.0
113.03502	5.3
115.05434	2.8
117.05495	100.0
119.04911	1.9
121.06509	5.6
123.04425	5.1
123.08115	1.4
124.05186	1.6
125.06003	1.9
127.03922	18.8
129.07016	7.9
131.04944	1.9
131.08543	3.6
133.06499	2.5
135.04428	1.9
135.08015	2.0
137.06038	6.0
145.06468	2.3
146.07228	2.0
147.04437	2.6
147.07994	1.6
149.06007	2.2
151.03983	1.4
151.07581	7.5
153.01805	2.2
153.05458	4.6
157.06505	5.5
157.08598	4.7
158.07147	1.5
159.06573	1.2
159.08110	1.2
161.05997	14.5
161.09639	4.7
163.03922	2.9
163.07536	7.6
165.05620	1.6
165.09131	2.5
166.06296	1.7
167.07056	22.4
167.08452	1.7
174.06841	4.4
175.07558	4.1
177.09079	2.5
179.07021	3.2
181.04926	1.7
181.06374	1.6
181.06947	2.0
181.08586	24.2
182.07214	1.3
183.06577	3.3
185.09648	1.4
189.09106	22.3
189.10722	2.2
191.08609	2.3
191.10645	1.3
191.17413	1.4
193.08592	1.4
195.08084	4.2
195.09998	1.4
197.09706	1.5
201.05756	1.2
201.07579	23.7
201.09296	1.9
207.08417	1.2
207.10153	6.4
211.10780	17.5
219.08669	13.5
221.05980	1.8
223.07585	3.5
223.11267	1.7
225.09154	4.4
235.07468	1.9
237.09213	2.5
239.06982	2.8
239.10765	1.8
240.07870	2.0
241.08678	3.3
247.07666	2.0
251.07092	2.8
251.10806	2.4
253.08583	3.6
255.10141	3.7
257.11758	3.5
265.08508	1.6
267.06534	1.4
267.10095	1.8
269.08191	2.3
270.08984	1.8
279.10199	3.4
283.09702	6.1
283.13254	3.8
284.10434	1.7
285.08215	1.8
285.11111	6.9
293.95441	1.3
296.10626	1.4
297.11032	2.3
299.09402	1.7
302.11438	2.0
311.12756	3.0
315.08972	1.6
315.12259	5.8
316.13010	2.2
317.13937	7.8
329.13937	2.1
331.15521	2.2
337.13931	4.0
343.15414	10.6
346.14169	4.6
355.15378	2.1
359.14841	9.6
360.15646	26.1
361.16440	67.7
367.15430	3.8
381.17221	1.8
399.18011	2.6
417.11172	2.0
417.18994	1.8
427.17862	1.5
428.17871	1.3
435.20212	12.2
459.20102	2.1
530.21405	2.8
543.22827	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	581.1502
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.09342	1.1
53.80632	1.0
55.05504	1.5
57.03436	17.8
61.02930	6.0
69.03074	1.7
69.03432	23.0
69.50361	1.3
69.67690	6.2
71.01354	2.1
71.04996	16.3
73.02923	34.5
75.04478	1.2
81.03416	2.5
83.04978	11.0
85.02422	2.1
85.02909	32.8
91.69193	1.2
95.04977	1.3
97.02898	21.5
98.21108	4.5
99.04462	1.1
103.03928	1.5
111.04462	7.4
115.03928	14.0
119.77036	1.2
121.02882	1.9
123.04411	1.5
129.05475	8.1
133.04955	2.2
135.04381	1.9
137.02354	16.8
141.79567	1.3
147.06491	4.8
153.01857	3.0
161.02252	1.1
163.03958	2.4
165.01862	4.1
177.01878	1.6
179.03319	1.4
183.02864	1.7
195.02847	1.4
223.95026	1.1
225.07568	3.5
229.04993	4.8
240.02170	1.1
249.73952	1.1
257.04535	2.1
259.06113	1.3
271.06104	2.3
285.03955	2.0
287.05557	1.5
299.05511	9.0
302.04266	4.3
303.05008	100.0
313.07056	1.7
315.04984	34.0
316.05792	6.6
327.04993	9.2
329.06439	3.0
341.06543	8.6
343.08215	1.9
345.06049	72.9
355.04483	1.7
357.05939	2.1
367.08200	4.9
369.06052	17.3
371.07730	2.3
395.07657	13.1
413.03436	2.4
413.08679	36.3
413.14194	2.2
431.09747	14.5
449.10764	26.0
477.10300	2.7
509.95258	1.4
581.14984	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	579.1496
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
50.57269	0.7
53.03936	0.7
55.01859	1.2
65.03924	0.6
66.57674	0.6
67.01846	0.7
68.99792	4.3
69.86874	1.3
69.87291	2.1
79.05509	0.8
81.03417	2.7
82.50978	0.6
89.03936	0.6
91.05487	0.7
98.21145	1.8
99.04438	0.9
105.03391	0.9
107.04983	2.3
109.02869	3.1
111.00829	2.5
111.04453	3.0
113.72646	0.6
119.04959	1.5
121.02876	1.6
123.04436	32.4
123.38443	0.7
127.03919	100.0
131.04965	2.0
135.04420	27.7
137.02361	2.9
139.03902	38.0
147.04424	4.3
149.02322	3.0
149.06015	1.5
151.03912	7.6
157.06439	0.9
159.04410	3.5
161.05971	2.8
163.03905	30.8
165.05458	4.2
167.03412	7.1
167.31599	0.6
169.06544	1.7
173.06023	2.9
175.03893	3.2
175.07434	0.8
177.05472	4.2
179.03412	2.3
181.06613	0.8
183.04572	0.6
185.05952	1.1
187.03868	6.2
189.05487	1.8
191.03380	8.5
193.05061	3.0
197.06007	3.3
201.05542	4.2
203.03409	6.2
203.07018	1.7
205.04987	2.4
207.06511	1.1
213.33162	0.6
215.03418	1.5
215.07034	3.1
217.05006	1.0
225.05554	1.7
229.04988	5.2
231.06490	1.4
233.04488	4.6
241.04900	1.3
243.06529	4.1
245.04453	4.6
247.06007	12.3
253.04927	1.3
255.06619	1.2
257.04459	8.2
258.05594	0.8
259.06079	7.7
264.55444	0.7
269.04367	1.3
271.06030	15.9
273.07434	1.2
275.05493	12.8
283.06000	5.6
285.07663	0.8
287.05536	16.5
289.07080	11.4
291.08667	9.9
299.05533	2.3
301.07114	7.6
303.08652	2.3
311.05557	1.0
376.81717	0.7
391.07895	0.6
409.03748	1.0
409.09164	18.2
411.10922	2.2
421.09149	0.7
427.10291	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	579.1501
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
51.02365	0.7
53.03939	0.9
55.01852	1.8
58.77784	0.6
65.03930	1.7
67.01837	0.7
67.05487	1.3
68.99785	4.8
69.03412	0.9
69.45487	1.0
69.45900	3.1
72.90777	0.5
77.03932	1.6
79.05484	1.1
81.03413	3.8
85.02919	1.4
89.03899	0.9
91.05462	1.6
93.03400	0.6
95.04951	2.3
97.02882	0.9
97.06502	0.7
98.20715	1.0
98.21394	1.5
99.04446	1.1
105.03384	1.5
107.04985	4.2
107.08596	0.7
109.02885	3.5
111.00811	2.1
111.04453	2.7
115.05459	1.3
115.80997	0.5
117.03375	1.0
119.04940	4.2
120.05212	0.5
121.02861	2.2
123.04430	85.5
124.04825	0.9
127.03917	100.0
128.04225	0.8
131.04932	2.2
135.04414	32.7
135.16881	0.6
137.02341	6.8
137.05988	0.7
139.03903	34.3
141.06998	1.1
142.41307	0.6
143.03365	0.7
143.04936	0.9
145.06500	1.6
147.04404	12.4
147.05519	1.0
149.02330	3.3
149.05983	2.0
151.03903	6.2
153.01836	12.7
155.04948	1.0
157.06532	1.2
159.04449	4.3
161.05968	4.4
163.03905	37.5
165.05489	8.7
167.03400	6.0
169.06519	1.5
171.02904	0.6
171.04420	0.7
173.06006	2.5
175.03899	3.2
175.07587	0.7
177.05452	3.6
179.03419	5.0
179.06926	0.7
181.04982	1.6
181.06496	1.1
185.06004	1.7
187.03899	6.1
187.05284	0.7
187.07552	0.5
189.05463	3.7
191.03400	10.3
191.07059	0.7
193.04974	6.4
197.05937	3.5
199.07629	0.7
201.05496	7.2
203.03401	9.2
203.07079	2.7
204.04317	0.5
205.05003	2.1
207.06561	1.4
209.05891	0.6
213.05499	2.7
215.03528	1.4
215.07013	3.0
217.04971	2.9
219.06602	1.6
225.05519	1.7
229.04933	7.1
231.06590	1.6
233.04494	2.4
235.02266	0.6
237.05548	0.8
241.05022	2.2
243.06497	4.4
245.04472	11.5
247.06024	16.1
247.18880	0.7
253.05075	1.7
255.06613	2.3
257.04434	14.5
257.06982	0.8
258.05264	2.6
259.05988	6.2
265.07178	2.7
269.04401	3.1
271.06012	20.5
273.07620	1.6
275.05518	12.8
283.05957	6.0
285.07703	1.9
287.05502	32.3
289.07040	11.3
289.10065	0.8
291.08633	9.5
294.84436	0.6
299.05493	8.9
301.07065	9.5
303.08609	3.7
311.05655	0.7
313.07248	1.5
315.07184	1.4
333.09705	1.6
373.09369	1.5
391.10269	0.9
399.06876	0.6
409.09189	32.0
411.10995	3.5
417.11121	0.6
421.09518	1.5
427.10165	7.4
433.11411	1.1
435.10910	4.8
439.10254	5.4
447.13043	2.1
451.10553	0.6
453.12238	1.5
519.70605	0.7
538.75134	0.6
561.13885	1.2
579.21124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Procyanidin B7
Peak:m/z	Relative Intensity
53.03946	1.1
55.01878	1.1
65.03936	0.9
66.18122	0.4
67.01864	0.7
67.05501	0.7
68.99786	4.7
69.03430	0.6
69.87959	1.8
79.05489	0.8
81.03432	2.5
85.02914	1.3
93.03416	0.5
95.04958	0.7
98.20940	1.1
98.21500	0.6
99.04470	1.2
101.29771	0.4
103.05466	0.8
105.03367	0.6
107.04955	2.6
109.02878	3.5
111.00793	1.7
111.04478	2.9
115.05450	1.0
117.03419	0.8
119.04945	1.0
121.02862	1.8
123.04434	34.2
127.03921	100.0
129.06947	0.4
131.04927	2.0
135.04424	27.8
137.02344	3.1
137.05981	0.7
139.03906	42.5
141.07001	1.3
143.04932	0.9
144.23904	0.5
145.06505	0.8
147.04398	4.9
149.02318	4.6
149.06030	2.2
151.03905	7.1
153.01828	1.9
153.07074	0.5
157.06534	0.5
159.04433	3.1
161.05978	2.4
163.03911	33.8
165.05460	4.7
167.03416	8.6
169.06479	1.7
171.04507	0.6
173.05957	2.7
175.03873	3.2
177.05489	3.7
179.03400	3.5
181.05029	0.5
183.04393	0.9
185.05893	0.9
187.03821	5.2
187.07539	0.9
189.05531	1.6
191.03400	10.2
193.04985	3.0
197.05962	3.7
200.04689	0.6
201.05489	6.3
203.03415	7.5
203.07065	2.4
205.04987	3.0
207.06569	1.4
213.05556	1.4
215.03369	1.8
215.07040	2.0
217.04944	1.0
225.05524	1.4
227.07140	0.6
229.04985	6.4
231.06584	1.4
233.04500	5.0
237.06067	0.7
241.04985	1.2
243.06454	4.0
245.04521	5.6
247.06032	14.5
251.05482	1.1
253.05066	1.4
255.06508	1.2
257.00839	0.6
257.01514	0.7
257.04453	8.2
258.05182	0.8
259.06003	8.0
269.04471	1.7
271.06024	18.0
273.07654	1.1
275.05493	14.8
277.03503	1.1
283.05978	5.2
285.07776	0.6
287.05515	16.6
289.07053	11.5
290.07333	0.5
291.08640	9.3
299.05521	3.1
301.07068	9.9
303.01413	2.2
303.08685	2.6
304.01767	0.7
367.08102	0.6
391.08258	0.6
409.09195	20.6
410.09357	0.5
411.10999	2.6
421.09116	1.4
427.10342	5.0
435.10843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
53.48145	2.0
55.01875	16.2
55.05517	44.5
57.03435	14.3
65.03934	4.2
67.05506	78.1
69.03425	6.9
69.07072	27.3
69.49468	15.3
70.17872	1.7
71.04987	6.5
79.05496	78.3
79.05965	4.0
81.03420	54.9
81.07058	100.0
83.04987	15.6
83.08620	27.6
85.02909	17.4
85.06560	4.7
87.15392	2.1
89.37246	2.1
91.05479	70.5
93.07047	58.4
95.04967	33.7
95.08612	43.0
97.02931	2.8
97.06543	18.5
97.10179	14.0
98.21326	7.6
99.08086	3.9
103.05523	2.9
105.04555	2.1
105.07027	78.8
107.04967	20.6
107.08599	36.6
109.06516	14.5
109.10156	18.6
111.04434	4.8
111.08101	10.7
113.06000	2.9
115.05477	3.4
116.06256	2.4
117.07013	17.9
119.08580	44.2
121.06513	7.2
121.10146	25.7
123.08074	10.1
123.11708	9.5
125.09647	13.4
127.07612	2.4
128.06206	2.4
129.06996	19.2
131.08569	30.0
133.06535	2.8
133.10120	31.9
135.08055	8.8
135.11685	8.9
137.09648	9.6
139.11276	2.6
141.06999	3.5
142.07776	3.5
143.08548	5.3
145.06435	3.1
145.10112	22.2
147.08072	4.2
147.11690	29.4
149.09631	23.7
149.13254	5.6
151.11183	6.0
155.08548	5.3
157.10149	17.0
159.08037	2.4
159.11690	12.5
161.09639	5.0
161.13281	6.5
163.11200	12.6
165.12770	5.6
169.10129	6.7
169.12236	2.2
171.11678	6.6
173.09593	2.8
173.13213	9.2
175.11212	16.9
175.14798	2.4
177.12770	4.9
179.14336	4.1
183.11638	2.7
185.13348	2.7
187.11218	3.5
187.14964	2.2
189.11220	4.8
193.04886	2.8
193.12260	39.5
195.11925	2.2
195.13849	3.7
196.91766	2.4
197.13185	4.0
199.12903	2.0
199.14828	3.7
201.12653	3.0
211.13284	49.9
213.16298	3.3
217.15916	2.8
227.12656	10.5
229.14357	2.9
229.19493	4.4
233.15320	2.3
239.18007	2.3
247.20531	5.1
253.14413	3.7
257.19031	11.3
259.20459	2.8
267.15924	22.4
269.17374	3.8
273.18552	2.9
275.20078	74.9
285.16989	30.5
291.19595	5.3
293.21051	7.9
299.20062	2.5
349.23743	35.3
367.24594	2.8
381.22864	2.7
449.30508	3.3
461.28931	2.9
467.31802	4.1
479.29987	5.6
485.32495	3.4
494.86212	2.4
510.23370	2.1
541.35144	16.7
559.36249	31.3
577.37488	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01875	32.4
55.05512	47.5
57.03439	21.2
57.07072	3.8
59.04992	2.5
59.64702	2.4
65.03937	5.5
66.73177	2.3
67.05508	100.0
67.24094	2.1
69.03418	5.1
69.07076	34.1
71.04991	12.4
71.18026	5.4
71.18378	2.8
72.30745	2.2
73.17872	2.3
79.05499	76.5
81.03425	44.0
81.06576	4.3
81.07060	87.6
83.04982	15.2
83.08623	32.1
85.02914	14.8
85.06537	4.5
90.97450	2.1
91.05482	79.7
93.07050	56.0
95.01367	2.3
95.04968	37.1
95.08609	40.0
97.06532	37.3
97.10167	17.1
99.08094	5.4
105.07034	73.4
107.04971	19.6
107.08604	31.9
109.06509	10.2
109.10156	36.7
111.04454	2.9
111.08100	10.8
113.06023	2.9
115.05463	5.5
117.07034	28.0
119.08581	48.4
121.06519	12.8
121.10142	23.7
123.04433	3.6
123.08073	9.0
123.11702	6.0
125.09659	13.7
128.06227	3.0
129.05501	3.2
129.06993	24.3
131.08571	35.7
133.06517	7.0
133.10133	45.0
135.08070	9.2
135.11716	11.0
137.09621	6.5
137.13214	2.3
141.07001	6.1
142.07841	6.1
143.08566	13.4
145.06555	3.0
145.10129	29.4
147.08058	7.3
147.11696	22.7
149.09644	21.1
149.13255	8.2
151.11206	6.1
153.12717	2.3
155.08568	6.8
157.10138	19.2
159.08046	3.2
159.10515	3.5
159.11658	18.9
161.09622	6.5
161.13263	10.3
163.11176	10.4
163.14871	2.6
165.12790	5.2
167.08551	3.4
169.10121	7.2
171.08044	2.5
171.11716	7.0
173.11844	4.4
173.13298	9.2
175.11160	8.6
177.12785	8.3
179.14331	11.9
181.10205	4.5
183.11726	4.9
185.13268	5.4
187.11156	5.3
187.14796	3.3
189.11218	3.1
189.12773	4.2
193.12228	24.6
197.13322	3.6
199.14842	4.3
205.15912	3.4
209.13348	3.8
211.13272	28.2
211.14995	3.3
217.14227	3.5
225.16315	2.3
227.12799	7.8
229.14337	9.0
241.19388	2.6
247.20618	4.2
257.19006	7.4
259.20566	8.2
267.15845	18.5
273.18674	5.4
275.20071	71.9
277.21481	3.9
285.16995	39.1
291.19458	12.3
293.21112	13.2
333.24371	3.1
343.22729	3.3
349.23773	24.4
417.26089	3.0
431.29245	4.5
467.31470	2.6
479.29755	2.9
485.32935	3.5
515.33618	2.7
541.35529	18.6
559.36243	40.2
577.37488	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.2
53.03931	7.5
54.48861	1.9
55.01873	41.7
55.05514	40.8
57.03436	11.7
57.07069	2.2
59.05002	2.9
65.03933	6.2
67.05505	77.0
69.03426	9.3
69.07070	37.5
69.56001	3.4
69.56401	13.3
71.04977	12.6
79.05496	83.4
79.05959	4.4
81.03420	61.9
81.07060	87.1
83.04988	25.6
83.08626	32.0
85.02915	21.1
85.06534	5.0
91.05480	88.6
93.07048	72.0
95.04974	31.5
95.08613	44.6
97.02885	2.7
97.06538	48.5
97.10168	17.4
98.21107	7.4
99.08089	5.4
105.04490	2.6
105.07035	66.0
107.04958	33.0
107.08601	49.9
109.06516	12.5
109.10161	24.6
111.08090	15.4
113.05962	2.4
115.05449	3.9
116.06235	3.2
117.07030	16.4
119.04951	2.1
119.08582	54.6
121.06520	9.6
121.10143	27.3
123.04438	2.7
123.08050	8.2
123.11702	8.2
125.09609	18.1
127.53071	2.3
129.07050	16.1
131.08586	34.1
133.06467	5.1
133.10133	39.7
135.08032	8.3
135.11667	10.8
137.09608	6.7
139.11166	2.9
141.07063	4.1
142.07776	4.2
143.08551	8.7
145.06580	3.2
145.10150	22.8
147.08054	7.3
147.11688	27.8
149.02319	8.3
149.09624	56.3
149.13309	5.1
151.11177	7.0
153.09038	2.8
155.08577	3.8
157.10109	17.3
159.11711	12.6
159.21980	2.1
161.09613	3.9
161.13252	6.3
163.11162	21.0
165.09125	6.6
165.12788	5.1
169.10120	5.8
171.10249	3.3
171.11716	6.2
173.13231	9.2
175.11160	17.2
177.12775	5.7
179.14273	4.9
183.11690	3.9
185.13239	5.2
187.11150	4.1
189.11244	13.6
189.12764	3.8
193.04999	6.1
193.10606	4.3
193.12247	46.5
197.13280	3.7
201.12756	2.7
205.12193	3.6
209.27341	2.4
211.13297	49.5
215.14372	2.6
227.12791	34.4
229.19492	5.1
239.17953	4.8
247.20529	7.2
257.19025	12.6
267.15881	19.4
275.20074	100.0
285.16959	36.6
293.21103	14.6
315.23129	2.4
349.23764	49.0
352.16934	2.4
359.92441	2.4
381.22589	8.3
401.31921	2.3
431.29602	1.9
445.29288	2.9
449.30017	2.7
463.30588	5.8
467.31668	3.9
485.32993	2.4
541.35522	16.3
559.36401	28.8
577.12842	3.0
577.37653	22.9
586.18481	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	575.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05261	2.6
55.05512	42.8
56.66972	2.4
57.03442	3.5
57.07077	70.9
57.98122	2.2
67.05168	4.2
67.05508	58.7
67.05865	3.2
68.05819	2.7
69.07070	61.2
69.99727	3.7
70.00122	4.9
71.04982	9.7
71.08636	55.5
71.40507	2.1
79.05479	12.0
79.64296	1.9
81.07060	100.0
82.07387	9.0
83.08620	50.8
85.06543	4.9
85.10184	29.1
87.04469	6.9
91.05472	9.2
91.63407	2.0
93.07050	10.3
95.08611	93.1
97.10172	42.1
99.11732	5.2
105.07036	6.6
107.08604	8.2
109.10162	51.9
110.10478	2.3
111.11736	27.6
119.08546	2.5
121.10143	4.1
123.11707	28.2
125.13233	10.8
130.57083	2.6
133.10147	4.9
135.11720	2.6
137.13284	8.5
139.14815	7.4
145.09990	1.9
149.13252	3.4
151.11206	2.9
151.14833	6.0
159.11726	3.4
163.14832	2.6
165.16402	7.8
193.19595	2.6
208.67377	2.4
257.47775	2.3
265.25250	2.7
269.17487	2.7
301.20123	3.8
302.20508	6.7
313.27444	5.4
314.27719	8.5
415.58298	2.3
431.45908	2.3
441.30890	2.0
454.52179	2.1
481.38620	4.2
482.39307	42.8
540.43506	20.4
557.60236	13.6
575.41272	4.2
575.49908	17.7
575.60913	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
53.69835	1.8
55.01875	19.8
55.05262	3.2
55.05510	40.2
57.03440	15.9
57.03682	3.0
57.07061	4.9
59.04995	3.8
59.64347	1.9
65.03931	4.8
67.05507	83.2
67.05869	4.1
69.03418	8.1
69.07070	28.5
71.04985	8.3
71.56667	2.7
76.17873	2.0
79.05495	71.2
81.03423	60.6
81.07061	100.0
83.04985	19.0
83.08625	34.9
85.02905	22.0
85.06537	7.3
91.05483	78.9
93.07046	55.5
95.04984	32.3
95.08615	43.2
97.02870	4.5
97.06532	25.5
97.10163	11.8
99.04453	3.1
99.08094	4.8
103.05450	2.6
105.04486	2.9
105.07036	75.5
107.04953	20.2
107.08590	39.9
109.06532	17.0
109.10162	26.2
111.04436	4.5
111.08083	15.9
115.05431	2.7
117.07029	15.2
119.04949	2.3
119.07780	3.8
119.08588	50.1
121.06488	8.3
121.10154	25.6
123.08075	12.3
123.11728	10.6
125.09618	12.6
127.03925	3.0
128.06212	4.5
129.07004	18.2
130.07858	2.9
131.08574	32.0
133.06468	6.0
133.10144	38.7
135.08061	8.2
135.11734	11.4
137.09639	13.3
139.07559	2.2
141.06952	3.7
142.07841	3.0
143.08556	5.7
145.10120	23.4
147.08026	5.0
147.11684	31.6
149.09642	24.6
149.13249	7.6
151.11188	5.6
153.09117	2.6
155.08562	3.8
155.38931	2.2
157.10158	17.1
159.11690	14.1
161.09653	7.9
161.13258	7.5
161.30185	2.0
163.11203	12.6
165.09077	4.2
165.12740	9.6
169.10110	5.0
171.10266	2.7
171.11688	6.1
173.09700	3.0
173.13232	7.2
175.11191	15.6
177.12776	5.6
181.12212	2.7
183.11703	5.3
185.13251	5.0
187.11258	2.9
187.14857	4.1
189.09161	2.2
189.11206	5.2
191.10706	2.7
191.14317	3.3
193.10603	3.7
193.12262	45.2
197.13223	2.8
201.12923	2.4
207.13835	3.8
209.15413	5.1
211.11317	1.8
211.13261	56.3
211.15208	3.1
219.13828	2.6
227.12732	8.4
229.14235	3.8
229.19467	3.0
239.18007	3.1
247.20659	4.9
257.19067	13.9
267.15851	18.7
275.20081	72.5
285.16953	27.0
293.15237	2.2
293.20963	11.2
294.28845	2.1
299.19989	2.6
313.06873	3.2
313.21667	2.7
314.07913	3.2
329.10242	12.0
331.22556	2.4
347.22406	2.4
349.23807	30.3
449.30240	2.5
467.31519	4.1
485.32861	2.6
541.35242	15.7
559.28308	3.5
559.36273	33.1
577.37573	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	575.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.6
55.01878	14.5
55.05511	44.6
57.03437	14.5
57.07052	4.1
59.04991	2.5
59.47991	1.6
62.11001	1.6
65.03925	6.6
67.05505	98.0
69.03436	9.3
69.07072	28.9
71.04993	15.3
71.25344	1.5
73.46293	1.5
77.07542	1.5
78.85557	1.7
79.05493	83.3
81.03420	58.3
81.07059	96.8
83.04983	25.3
83.08620	27.6
85.02912	19.2
85.06537	5.2
91.05484	100.0
93.07046	77.5
95.04971	41.0
95.08610	53.4
97.02872	4.5
97.06531	14.6
97.10166	12.2
98.21259	10.0
99.04420	3.1
99.08069	4.1
103.05465	3.6
105.04499	3.4
105.07034	80.1
107.04282	2.4
107.04955	26.6
107.08597	43.4
109.06535	17.0
109.09457	2.3
109.10156	38.3
111.04424	6.1
111.08104	13.8
113.05988	4.2
115.05425	6.3
116.06171	2.1
117.07024	23.6
119.07800	3.2
119.08591	52.0
119.09444	3.1
121.06510	13.8
121.10140	25.0
123.04404	3.9
123.08051	11.3
123.11683	6.3
125.05984	2.1
125.09632	10.9
128.06189	6.8
129.07004	25.6
131.04935	2.2
131.08575	37.4
133.06490	12.8
133.10135	46.3
135.08040	15.3
135.11684	13.1
137.09595	7.4
139.07539	2.1
141.06987	3.5
142.07761	4.8
143.08569	14.3
145.06456	3.4
145.10139	24.0
146.07309	1.8
147.08058	11.3
147.11708	24.1
149.09625	19.2
149.13240	3.7
151.11200	23.1
155.08528	5.8
156.09340	2.8
157.10144	20.8
159.08023	5.8
159.11705	16.1
159.36542	1.8
161.09610	10.9
161.13196	7.4
163.07547	2.3
163.11159	7.6
165.08978	2.6
165.12704	5.1
167.08453	1.6
169.10135	8.3
169.12195	3.6
171.08005	2.5
171.11691	9.8
173.09601	4.8
173.13220	5.8
175.11189	20.2
177.09122	3.7
177.12677	3.9
179.10625	4.1
183.11681	4.8
185.09549	2.1
185.13199	6.2
187.11131	2.0
187.14799	2.1
189.11171	4.7
189.12683	4.5
191.10623	2.2
191.14317	1.7
193.10417	2.5
193.12241	35.5
195.11697	5.2
195.13611	1.7
197.13289	4.1
199.14854	2.6
201.12738	2.2
203.14395	3.1
205.12231	2.0
209.11577	3.7
211.13260	34.0
213.16441	2.7
215.12643	2.8
223.14995	2.3
227.12749	5.8
227.18004	2.6
245.19009	6.0
251.12750	4.0
251.16472	2.2
253.14334	14.6
255.17323	5.4
257.18954	3.3
263.20102	3.4
267.15878	16.2
273.18494	40.9
274.34781	1.8
275.19995	6.5
283.15240	2.8
285.16998	6.5
285.21918	3.8
287.19937	3.7
291.19525	44.0
293.21036	1.9
299.23611	3.8
301.21582	2.1
309.20746	4.1
329.20929	2.0
347.22321	9.1
356.78571	1.6
365.23309	9.3
415.29581	3.9
421.25690	4.5
433.31046	3.9
451.31967	4.9
463.26791	3.6
465.29724	2.3
501.31784	2.5
507.34903	2.4
517.35730	4.0
525.35638	13.2
539.33820	4.2
543.36926	15.5
557.34778	16.7
575.35571	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	574.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.4
57.03445	6.6
57.07077	31.5
65.03954	2.0
67.05503	45.8
69.07069	11.6
71.04996	18.5
71.08636	23.8
74.74173	1.6
79.05492	11.6
81.07057	78.9
83.05002	2.7
83.08630	14.3
85.06566	6.2
85.10181	9.9
87.04469	14.3
91.05474	16.1
93.07042	11.8
95.08606	20.8
97.06561	4.6
97.10188	4.6
98.20800	4.9
98.21497	4.2
105.07038	7.9
107.08597	9.4
107.45012	2.0
109.10165	11.7
121.10148	2.7
123.11689	12.3
131.08656	2.2
133.10139	11.5
135.11736	2.6
139.48863	1.7
149.13306	4.0
151.11176	3.5
159.11697	3.8
167.07133	2.6
170.68884	1.6
183.13820	3.0
187.13295	3.8
226.43068	1.5
239.23766	2.0
245.11751	3.5
269.17505	4.3
283.26382	2.7
301.20071	17.7
313.27328	25.8
481.38919	100.0
495.40567	6.2
507.40256	3.4
539.43060	42.3
574.48578	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	575.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01875	19.4
55.05513	55.4
57.03435	13.7
57.07054	3.4
61.10872	2.1
65.03937	7.5
66.57578	2.2
67.05505	78.3
67.05866	3.9
67.34222	3.0
68.47864	2.5
69.03439	14.5
69.07070	48.1
70.82156	2.8
70.82497	5.5
71.04993	11.2
73.02949	2.2
79.05493	81.3
81.03416	46.0
81.07058	77.6
83.04987	21.3
83.08622	36.1
85.02912	11.2
85.06567	4.3
91.05484	77.8
93.07049	58.1
95.04967	37.0
95.08607	34.1
97.02905	9.6
97.06528	16.0
97.10175	24.2
103.05471	2.4
105.07035	60.9
106.07336	2.3
107.04962	19.5
107.08596	37.4
109.06495	15.8
109.10149	21.9
111.04449	4.9
111.08091	10.1
113.06013	2.7
115.05429	3.2
117.07004	19.8
119.04965	3.3
119.08588	44.0
121.06502	9.1
121.10142	21.7
123.08092	15.1
123.11714	7.1
125.09649	22.4
129.07004	14.7
130.07811	2.4
131.08575	27.4
133.06490	7.4
133.10141	26.9
135.08104	11.3
135.11642	11.5
137.09631	5.5
142.07796	4.9
143.08563	10.4
145.06474	2.7
145.10123	27.1
147.08040	14.5
147.11668	23.2
149.09645	19.1
149.13271	5.3
151.11198	5.9
152.00697	2.3
153.09166	2.9
153.12737	2.7
155.08485	2.5
157.10094	14.6
159.08093	4.4
159.11710	8.3
161.09647	8.6
161.13278	4.4
163.11200	14.5
163.39412	2.3
165.09125	4.5
165.12753	8.6
169.10127	6.7
171.10292	3.1
171.11707	8.1
173.09602	3.8
173.13298	4.0
175.11159	13.1
177.12740	3.5
181.10089	3.2
181.12347	2.5
183.11913	2.5
185.13214	3.8
187.11185	3.9
187.98125	2.3
189.09370	2.3
189.11198	12.3
193.12277	33.9
205.12244	3.4
211.13249	26.4
217.12285	3.0
219.13797	8.2
223.13203	16.0
227.12732	18.8
245.19081	4.7
249.14806	4.0
255.17462	2.9
257.19144	4.1
263.72571	2.5
267.15952	28.8
273.18478	33.2
275.20071	24.7
283.15469	12.7
285.16968	5.0
291.19534	100.0
309.28287	2.3
313.21658	5.9
331.22708	3.0
347.22244	7.5
349.23724	9.7
365.23230	11.3
389.22903	3.1
413.62372	3.0
447.28281	2.7
463.26282	2.8
465.29700	5.1
477.28113	2.6
483.31223	7.0
501.31808	2.5
529.35211	2.9
539.34076	4.7
557.34711	42.9
575.35736	82.7
576.35229	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	573.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01873	12.3
55.05511	28.3
57.03439	4.3
57.07065	1.8
59.04990	2.8
65.03940	2.5
67.05507	36.4
69.03434	8.7
69.06715	1.5
69.07071	25.9
71.05004	5.2
71.08614	1.0
71.57956	1.0
77.03904	0.8
78.21848	0.8
79.05497	40.6
81.03423	13.2
81.06580	1.8
81.07059	34.2
83.01333	4.2
83.04980	13.7
83.08621	14.5
85.02892	3.0
85.06541	1.6
91.05482	28.5
93.07045	33.7
95.04974	13.2
95.08613	16.7
97.02894	9.4
97.06538	8.7
97.10162	9.7
99.04449	2.1
105.04510	1.6
105.07027	21.9
107.04958	14.9
107.08603	18.4
109.02897	1.3
109.06516	6.8
109.10161	9.8
111.04445	2.4
111.08095	4.2
115.05449	2.3
117.07011	13.3
118.07853	1.1
119.04857	1.2
119.08583	16.3
121.06492	6.5
121.10131	9.3
123.04464	1.5
123.08105	7.4
123.11761	1.5
125.05981	1.2
125.09657	6.4
128.06212	2.7
129.06982	6.2
130.07799	1.7
131.08568	10.1
132.05586	0.8
133.06487	4.6
133.10136	8.3
135.08058	4.8
135.11714	7.6
137.09622	2.7
141.06984	1.7
143.08498	4.0
145.06470	2.5
145.10127	17.3
146.06903	0.8
147.08044	7.0
147.11694	5.1
149.09660	3.6
149.13231	2.4
151.11205	1.2
153.05501	2.5
153.09094	2.4
153.12753	2.9
155.08583	1.2
157.10133	3.6
159.08008	2.5
159.11702	4.2
161.09621	4.7
163.11183	14.3
165.09149	1.7
169.10097	1.7
169.12347	1.0
171.08083	1.0
171.11710	1.8
173.09619	3.6
173.13318	1.1
175.11189	3.7
177.12755	1.8
179.10576	0.8
181.12241	2.8
183.11754	1.6
185.09677	1.0
185.13261	1.3
189.11209	4.4
189.12682	1.0
191.10692	2.0
195.13850	2.4
209.11693	4.5
213.14819	1.2
223.13287	16.1
227.12773	5.9
227.17833	1.3
245.19096	1.2
249.14835	1.5
255.17488	2.3
263.20087	1.3
273.18500	19.1
275.20023	2.3
281.17319	1.1
283.15491	2.8
291.19547	100.0
292.19977	1.3
329.20956	1.6
347.22229	1.5
365.23212	1.5
403.25333	0.9
545.34521	1.4
555.33368	2.8
564.01483	1.0
573.34186	69.1
574.34357	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	573.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97755	0.8
53.03934	3.6
55.01876	5.0
55.05512	10.6
57.03445	5.7
57.07072	0.9
64.55755	0.8
65.03931	1.6
67.05500	11.7
69.03429	3.1
69.07064	3.9
71.04990	2.7
71.46415	1.7
78.04729	1.1
79.05487	15.7
81.03417	60.9
81.07056	14.8
83.04985	6.5
83.08624	10.1
85.02903	24.0
85.06566	1.6
91.05481	17.5
93.07049	10.5
94.50869	0.8
95.01329	1.8
95.04973	13.2
95.08621	8.3
97.02895	2.0
97.06525	2.1
97.10165	2.9
99.04456	1.0
103.05473	2.9
104.06248	2.6
105.03411	0.9
105.07035	16.7
107.04957	7.8
107.08573	6.7
109.02874	4.0
109.06504	3.7
109.10132	4.3
111.04436	2.9
111.08092	4.6
113.06018	1.6
115.05446	9.3
116.06239	0.9
117.07016	6.6
119.04938	2.8
119.08591	8.5
121.02800	1.0
121.06522	4.0
121.10173	3.8
123.04462	1.4
123.08073	2.1
123.11672	1.4
124.39117	0.8
125.09650	2.5
127.03851	0.9
128.06194	1.8
129.07016	7.0
131.04929	9.6
131.08562	6.6
132.05696	1.8
133.06499	9.6
133.10112	4.6
135.04445	1.1
135.08095	1.0
135.11757	1.7
137.06009	2.4
137.09612	1.2
138.09798	0.8
139.03931	1.1
141.06970	1.8
142.07776	1.2
143.04956	1.0
143.08571	2.6
145.06483	4.6
145.10149	2.5
147.04388	6.2
147.08075	3.2
147.11723	5.7
149.09648	2.4
153.12743	1.2
155.08568	1.5
157.06529	1.7
157.10176	4.8
159.04417	6.0
159.08040	1.7
160.05199	18.2
161.05981	24.9
161.09665	4.9
163.11235	2.2
167.08517	1.1
169.06398	1.2
170.51965	0.9
171.04527	0.9
171.08110	1.9
173.05986	18.9
175.07544	1.2
175.11191	5.4
178.05176	0.8
183.08133	1.1
185.09566	0.9
186.06731	1.8
187.07541	5.5
187.11255	1.2
189.09091	1.9
191.10568	1.0
193.12245	14.5
203.07025	1.0
203.09076	0.9
203.10681	4.7
211.13283	17.3
216.18105	0.8
243.13918	6.1
253.12108	1.1
271.13287	26.3
273.14908	5.8
285.17139	10.5
289.14334	27.7
313.14291	2.0
325.20477	0.9
327.16199	1.0
331.15408	0.9
345.16968	12.0
387.18130	1.5
411.83463	1.0
463.25607	1.0
481.25494	1.3
537.28363	1.1
555.29321	6.1
573.30560	100.0
574.30798	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	573.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01879	4.2
55.05513	10.3
57.03433	7.3
57.11393	0.7
61.30935	0.7
65.03947	1.0
67.05507	11.8
68.88659	0.7
69.03435	1.7
69.07063	3.5
69.55227	4.3
70.27403	0.8
71.04993	3.5
76.50696	0.7
79.05494	14.7
81.03419	64.3
81.07054	14.9
83.04987	5.7
83.08609	7.9
85.02906	21.5
85.06548	1.6
91.05480	16.9
93.07043	8.1
95.01335	2.5
95.04974	14.4
95.08619	6.1
97.02913	2.5
97.06551	2.6
97.10181	2.2
98.20700	1.0
98.21272	2.4
99.04453	1.1
99.08012	0.7
101.83221	0.8
103.05473	2.9
104.06250	2.6
105.07024	17.6
105.07672	1.4
107.04970	7.8
107.08598	4.6
109.02894	2.0
109.06522	3.2
109.10152	2.4
111.04446	3.5
111.08053	3.8
111.80180	0.7
113.06021	2.3
115.05441	9.1
116.06260	0.8
117.07034	5.0
117.10764	0.8
119.04943	2.6
119.08583	8.5
121.02868	1.0
121.06512	2.5
121.10142	6.7
123.04510	1.2
123.08095	2.5
123.11684	1.9
128.06212	1.5
129.07011	7.0
131.04939	9.5
131.08585	5.9
132.05725	1.1
133.06505	8.6
133.10133	3.8
135.08090	1.9
135.11684	1.7
137.06001	2.9
137.09641	0.8
141.07034	2.0
142.07791	1.1
143.08572	2.2
145.06496	4.9
145.10123	1.7
147.04427	6.7
147.08069	2.7
147.11653	4.3
149.09654	3.2
151.03940	0.9
153.12793	0.9
154.07851	0.7
155.08516	1.0
157.06525	2.9
157.10089	4.9
159.04448	6.3
159.08095	2.0
160.05203	21.9
161.05992	23.9
161.09608	4.3
163.11189	2.1
167.08580	1.2
169.06473	1.3
171.04559	0.9
171.08092	1.8
173.05986	20.7
173.09651	1.0
175.07607	1.2
175.11145	5.3
177.63329	0.8
187.07536	7.6
189.09131	2.5
193.12251	14.5
197.09750	0.9
199.07422	1.0
203.07176	0.7
203.10680	5.8
211.13303	19.5
213.09160	0.9
221.11697	0.9
227.12701	1.5
243.13838	5.5
253.12209	1.6
271.13297	30.7
273.14969	5.5
283.15372	1.5
285.17090	10.7
289.14337	26.0
313.14346	2.2
331.15604	0.9
345.16974	12.9
363.18195	0.8
387.18396	1.1
419.56400	0.8
487.26880	1.0
555.29584	6.4
573.30597	100.0
574.31055	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.6
53.03950	13.7
55.01869	12.0
55.05260	2.1
55.05515	33.0
57.03444	7.3
57.07073	4.1
59.05008	1.5
59.73740	1.6
60.67965	1.3
65.03941	6.2
67.05508	95.4
68.99809	1.4
69.03429	5.7
69.07074	24.0
69.46577	3.5
69.46988	8.1
71.04990	6.2
77.03931	2.7
79.05498	100.0
81.03426	15.7
81.07060	87.1
81.38202	1.4
83.04984	20.9
83.08634	12.5
85.02927	2.8
85.06549	4.2
91.05485	97.1
93.07050	81.0
95.04364	2.0
95.04974	33.7
95.08611	51.3
97.02912	2.4
97.06546	11.8
97.10171	5.5
98.20731	2.0
98.21324	4.7
99.08093	1.8
103.05470	4.0
105.04507	3.2
105.07038	75.9
107.04960	20.5
107.08601	38.4
109.06516	12.4
109.10162	25.9
111.04474	2.2
111.08083	6.4
113.05978	1.4
115.05479	5.0
116.06283	2.2
117.07026	26.1
119.04949	2.2
119.08590	36.9
121.06525	12.3
121.10142	14.4
123.04417	2.5
123.08083	11.2
123.11703	3.1
123.26108	1.3
125.06026	2.1
125.09618	1.8
127.07546	1.8
128.06230	6.9
129.07010	23.8
130.07813	2.3
131.04942	2.3
131.08585	28.6
133.06534	12.8
133.10138	41.2
134.82129	1.4
135.08064	13.6
135.11714	11.1
137.05974	3.4
137.09639	5.0
139.07523	1.7
141.07010	2.5
142.07767	2.6
143.08562	16.8
145.06500	5.4
145.10135	22.7
147.08072	10.9
147.11702	37.4
149.06033	2.5
149.09639	16.4
149.13280	3.3
151.11172	15.0
155.08607	2.2
156.09435	1.7
157.06502	1.4
157.10144	7.5
159.08086	5.2
159.11723	12.9
161.06027	1.7
161.09641	13.7
161.13249	11.9
163.07524	2.0
163.11215	6.6
165.09169	2.7
165.12805	2.1
167.08553	1.8
167.10735	1.7
168.09267	1.4
169.10185	4.8
169.12276	2.0
171.08104	2.6
171.11696	29.9
173.09637	2.5
173.13222	3.5
175.11191	9.0
177.09160	7.2
177.12766	3.7
179.10663	1.9
179.14310	1.9
181.10112	2.7
181.12352	1.7
183.11699	2.9
185.09644	1.9
185.13297	4.5
187.11250	4.4
189.12755	11.9
195.11743	2.4
199.11182	1.8
203.14326	1.4
207.13834	14.2
207.17598	1.8
209.13335	2.0
213.11198	3.3
213.16411	1.7
217.12202	1.7
221.11694	1.4
223.13304	1.4
227.18002	2.8
245.18999	10.0
251.12794	9.0
253.14369	7.7
255.17522	5.3
263.20096	4.9
269.13916	1.9
273.18506	49.7
279.16031	2.3
281.17542	17.6
283.20636	3.8
285.22153	5.4
291.19553	43.3
301.21619	3.0
309.17404	1.6
309.20663	5.1
311.20343	1.6
329.21051	2.7
338.72116	1.4
347.22220	12.1
365.23318	7.1
459.27615	3.1
461.29871	1.8
475.26929	2.8
479.31253	1.6
553.35321	12.3
565.90771	1.8
571.36261	64.8
572.37280	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	571.2023
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.36460	0.8
57.03424	0.9
69.03427	2.9
69.86483	0.7
70.37858	1.9
70.38260	1.8
79.01853	2.8
81.03429	4.4
85.02896	3.6
97.02882	3.5
98.20959	1.6
105.07040	6.4
107.01295	1.3
109.02923	4.6
125.02367	4.0
127.03929	7.5
133.06494	12.3
137.05981	25.1
137.07048	1.4
143.03418	5.6
151.07637	0.8
153.01834	100.0
160.60419	0.8
163.07529	1.5
165.09151	10.2
171.02885	9.7
181.08673	0.9
183.10184	5.7
197.99960	1.0
219.32805	0.9
221.11751	0.8
225.93356	0.8
227.05486	5.9
238.72511	0.8
257.13898	10.3
290.60901	0.8
297.06006	3.9
309.09470	1.2
315.07123	12.2
342.36615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16776	0.6
55.01871	1.1
56.65190	0.6
64.96704	0.7
69.03445	0.8
69.79102	3.5
81.03413	1.2
85.02909	1.4
98.20895	1.3
98.21481	0.9
98.94581	0.7
106.97263	0.7
109.02901	0.8
127.03877	0.6
153.01891	1.4
161.49980	0.6
163.22400	0.7
199.08713	2.6
211.08702	3.8
212.09506	1.4
213.10342	2.5
215.11789	1.3
217.09706	1.7
224.09404	0.8
225.06706	0.8
225.10249	3.3
226.11086	0.7
227.08194	1.4
227.11816	0.8
229.09799	2.0
239.08159	7.6
239.11717	3.4
240.08931	3.3
241.09763	5.3
241.13434	0.9
242.10579	1.0
243.07675	1.8
243.11246	6.0
249.10257	0.8
251.11969	0.7
252.09001	1.1
253.09752	6.6
254.10670	0.9
255.11258	0.9
257.09094	3.4
257.12936	1.9
258.09995	1.0
259.10846	3.8
267.07867	3.3
267.11273	7.4
268.08438	7.1
269.09387	1.6
269.12909	1.0
271.10791	28.7
272.11273	0.8
273.12390	2.3
275.10300	3.3
277.11917	4.0
281.09290	2.9
282.10046	0.8
285.08749	3.2
285.12399	7.4
287.13876	0.7
289.11850	2.4
295.10779	7.6
299.10416	1.3
299.13797	0.9
300.11032	1.3
303.09821	1.4
303.13187	1.0
313.11798	9.4
317.11288	3.1
317.15067	0.7
318.12152	0.7
323.10318	11.4
327.13501	2.6
331.12946	1.5
335.12439	2.9
341.11313	15.0
345.14365	3.1
355.12906	5.2
359.12433	2.7
373.13947	27.2
374.14911	1.4
377.13300	0.9
383.12531	0.9
391.15009	21.0
409.16080	50.0
410.16638	1.0
415.15088	1.1
433.16000	7.2
437.15588	0.7
445.15839	0.7
451.17282	4.3
463.17206	1.6
481.18295	1.4
493.18222	4.1
511.19238	5.4
517.18109	1.5
535.19128	2.2
543.53802	0.7
553.20410	8.2
571.21356	100.0
572.21576	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03951	6.3
55.01877	6.0
55.05260	1.3
55.05513	20.1
57.03437	1.8
57.07053	1.4
59.05004	1.0
65.03925	3.5
66.06715	0.8
67.05508	36.1
69.03429	6.6
69.06721	1.7
69.07070	24.2
70.06586	0.9
71.05000	2.2
71.16574	1.9
77.03907	0.8
79.05498	48.4
81.03426	5.9
81.07059	32.5
83.04993	8.4
83.08635	7.3
85.06524	1.5
91.05484	37.1
93.07047	31.4
95.04974	13.9
95.08616	19.6
97.02903	6.6
97.06537	6.2
97.10179	9.1
103.05489	1.8
105.03356	1.0
105.04540	1.4
105.07035	28.6
105.70611	0.7
105.99593	0.8
107.04961	11.4
107.08600	15.8
109.06528	4.3
109.10145	6.9
111.04471	1.2
111.08067	1.4
115.05455	2.3
117.07021	11.2
119.04978	0.9
119.08587	19.8
120.05750	0.9
121.06511	4.5
121.10146	6.4
123.04461	1.2
123.08070	5.0
123.11706	0.9
125.09638	5.3
128.06259	2.6
129.07004	9.7
130.07796	2.0
131.08588	8.4
133.06499	3.8
133.10135	8.9
134.07246	1.0
135.08073	3.0
135.11702	2.8
137.09659	1.0
137.99155	0.7
141.06973	0.8
143.08575	8.6
145.06497	1.5
145.10136	7.5
147.08099	6.9
147.11690	14.0
149.09607	1.9
149.13251	1.1
151.07555	1.1
153.09161	1.2
155.08507	1.3
156.09340	1.0
157.10114	2.5
159.11711	3.2
161.09631	4.9
161.13249	5.6
163.11211	2.4
165.09175	1.9
169.10179	1.6
171.11662	10.5
175.11192	4.6
177.09192	0.9
177.12735	1.8
183.11661	1.1
185.13344	1.1
187.13132	0.8
189.11250	1.9
189.12785	3.6
195.13887	1.0
205.12213	1.7
207.13831	8.9
223.13274	8.4
227.12830	1.7
234.89931	1.1
245.19035	2.9
249.14934	2.0
255.17305	1.1
263.16476	1.0
273.18484	19.1
275.20151	1.7
281.17548	2.5
291.19550	71.9
342.10632	1.2
347.22409	1.5
365.23178	2.1
553.35254	2.2
571.36261	100.0
572.36456	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	571.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03951	6.3
55.01877	6.0
55.05260	1.3
55.05513	20.1
57.03437	1.8
57.07053	1.4
59.05004	1.0
65.03925	3.5
66.06715	0.8
67.05508	36.1
69.03429	6.6
69.06721	1.7
69.07070	24.2
70.06586	0.9
71.05000	2.2
71.16574	1.9
77.03907	0.8
79.05498	48.4
81.03426	5.9
81.07059	32.5
83.04993	8.4
83.08635	7.3
85.06524	1.5
91.05484	37.1
93.07047	31.4
95.04974	13.9
95.08616	19.6
97.02903	6.6
97.06537	6.2
97.10179	9.1
103.05489	1.8
105.03356	1.0
105.04540	1.4
105.07035	28.6
105.70611	0.7
105.99593	0.8
107.04961	11.4
107.08600	15.8
109.06528	4.3
109.10145	6.9
111.04471	1.2
111.08067	1.4
115.05455	2.3
117.07021	11.2
119.04978	0.9
119.08587	19.8
120.05750	0.9
121.06511	4.5
121.10146	6.4
123.04461	1.2
123.08070	5.0
123.11706	0.9
125.09638	5.3
128.06259	2.6
129.07004	9.7
130.07796	2.0
131.08588	8.4
133.06499	3.8
133.10135	8.9
134.07246	1.0
135.08073	3.0
135.11702	2.8
137.09659	1.0
137.99155	0.7
141.06973	0.8
143.08575	8.6
145.06497	1.5
145.10136	7.5
147.08099	6.9
147.11690	14.0
149.09607	1.9
149.13251	1.1
151.07555	1.1
153.09161	1.2
155.08507	1.3
156.09340	1.0
157.10114	2.5
159.11711	3.2
161.09631	4.9
161.13249	5.6
163.11211	2.4
165.09175	1.9
169.10179	1.6
171.11662	10.5
175.11192	4.6
177.09192	0.9
177.12735	1.8
183.11661	1.1
185.13344	1.1
187.13132	0.8
189.11250	1.9
189.12785	3.6
195.13887	1.0
205.12213	1.7
207.13831	8.9
223.13274	8.4
227.12830	1.7
234.89931	1.1
245.19035	2.9
249.14934	2.0
255.17305	1.1
263.16476	1.0
273.18484	19.1
275.20151	1.7
281.17548	2.5
291.19550	71.9
342.10632	1.2
347.22409	1.5
365.23178	2.1
553.35254	2.2
571.36261	100.0
572.36456	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	571.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05445	1.6
55.01875	3.9
56.96556	5.0
57.03433	5.6
61.02920	4.9
69.03436	14.5
71.57230	2.8
73.02917	6.2
75.89572	1.5
79.01844	3.8
81.03424	7.9
84.04478	2.1
85.02902	23.6
97.02897	16.9
98.21030	1.8
98.97589	11.3
99.04443	3.4
101.00900	11.2
107.01334	2.0
109.02865	6.1
110.01269	2.3
115.03872	2.6
116.98625	3.6
119.01929	30.8
120.02039	2.3
125.02366	2.8
127.02418	2.7
127.03901	14.4
128.98593	2.5
130.70636	1.9
131.01901	10.8
133.03481	5.9
137.02946	5.1
139.02493	2.2
139.03952	1.9
143.00175	2.2
143.01912	23.4
143.03355	4.6
145.01698	1.9
145.03481	19.5
145.04950	7.0
146.02318	2.8
147.01387	3.4
147.05077	2.5
149.01242	1.7
149.02898	2.2
151.04518	2.1
153.01833	70.8
153.02786	2.6
154.02162	5.6
155.01900	18.9
157.03500	12.7
158.99643	9.9
159.05043	4.9
161.02954	29.5
163.02660	2.2
165.06117	1.6
167.01949	7.4
169.03452	5.8
170.99666	4.8
171.01367	4.9
171.02843	3.8
171.05096	4.4
173.01486	2.8
173.02979	24.5
174.03046	2.1
175.04541	6.2
177.00755	6.6
179.01955	7.0
181.03491	3.1
182.03340	3.3
182.99759	1.9
183.05042	4.6
185.01350	3.0
185.02979	42.2
187.04504	6.9
187.71727	1.9
189.00702	6.6
189.02371	2.6
189.06139	3.7
191.02396	2.2
191.03819	9.1
194.02290	2.3
197.02969	18.3
199.04546	4.9
200.04539	8.8
201.00748	5.2
201.02341	5.8
201.06004	5.8
201.07805	2.5
203.04034	22.5
207.01476	2.8
209.02950	3.3
211.00893	3.6
211.04634	2.4
213.02420	8.0
215.00395	4.3
215.04102	9.9
217.01929	2.7
217.05632	4.2
219.01761	8.2
219.03583	3.8
219.07156	2.1
221.03230	2.5
221.05083	14.3
223.00810	2.3
225.00551	2.6
225.09488	2.1
227.04012	13.9
228.55783	2.1
229.01851	4.7
229.06303	5.6
231.03201	7.7
237.02739	6.0
239.04044	3.7
243.01813	2.4
245.05093	100.0
246.05196	3.9
247.02863	5.8
253.01819	2.7
255.07217	2.7
257.00854	3.6
257.05115	5.6
259.02408	7.0
260.02802	2.0
261.02856	7.6
263.06238	14.8
268.08548	2.4
271.02878	5.2
271.10843	3.4
272.06555	10.3
275.02066	6.0
275.06061	11.0
277.03506	18.0
278.03763	4.4
279.03598	3.1
281.07114	23.0
281.57220	3.4
287.06076	3.0
289.04141	21.4
291.09283	7.0
293.07297	2.8
297.05243	1.9
301.04001	10.0
303.01373	34.1
304.01672	8.4
305.07172	8.1
305.10504	2.5
307.04996	10.6
309.06622	4.5
309.10193	1.8
319.05237	6.1
319.09552	3.8
321.04510	2.1
321.10431	4.4
327.01312	2.2
329.06949	2.7
331.05182	3.4
335.02444	2.0
335.08072	3.8
336.01395	2.1
347.08447	2.7
349.06210	12.4
355.04849	2.7
362.09842	5.1
363.11411	8.6
365.09381	9.0
373.06174	5.8
373.13647	2.4
380.01620	2.8
391.06897	19.7
393.74673	1.9
403.01532	3.0
409.08206	21.6
409.16287	4.2
485.11826	2.6
511.11670	4.3
539.10101	3.1
571.13489	9.6
571.22052	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	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39035	0.8
53.03944	1.0
57.03444	1.3
61.02913	1.1
69.03423	2.8
69.29793	1.6
69.30196	6.4
79.05491	3.4
81.03409	1.8
81.07037	1.3
85.02914	7.8
91.05492	5.8
93.07048	3.9
95.04971	2.8
97.02901	2.7
98.21405	2.7
99.04447	0.9
103.05467	3.1
105.07044	2.9
106.04166	1.0
107.04960	7.7
109.02908	1.4
114.37678	0.9
115.05450	0.9
117.07063	1.1
119.04963	1.7
119.08550	1.1
120.05724	1.1
121.06537	7.5
123.04427	3.2
123.08118	1.2
124.05270	1.2
125.06019	1.7
127.03934	2.2
128.06247	2.3
129.07005	7.3
131.04945	3.2
131.08585	5.0
133.06537	1.3
135.04514	0.9
135.08072	2.5
137.06001	6.6
145.04976	2.3
145.06468	1.9
147.04404	2.5
147.08107	0.8
148.05200	1.2
149.06007	2.7
151.03885	1.7
151.07574	7.7
153.01831	2.5
153.05489	3.9
157.06526	7.0
159.08067	1.5
161.05986	11.8
161.09639	3.9
163.07527	6.9
165.05580	1.4
165.07013	1.0
165.09120	2.9
166.06227	4.2
167.07059	30.0
174.06805	4.2
175.07571	6.9
177.05548	1.1
177.09148	4.6
179.07062	2.0
179.08615	1.5
180.08748	2.0
181.08604	36.7
182.07201	1.8
187.07610	1.0
189.09120	26.6
191.07053	2.6
191.10655	1.1
193.06508	0.9
193.08685	1.2
195.08064	2.0
197.09586	4.4
201.09122	1.0
203.10609	1.0
207.08229	1.2
207.10152	4.6
210.06725	1.4
211.07581	1.0
219.08197	1.8
219.10051	5.8
221.05984	1.2
222.06729	1.1
223.07503	2.6
223.11110	2.1
224.08459	1.0
225.09175	6.8
227.07262	1.0
229.12012	0.8
236.08195	1.5
237.09099	1.4
239.10768	1.2
240.07657	1.2
241.08594	1.4
242.09436	0.9
251.07123	1.6
251.10703	2.7
253.06340	1.0
253.08655	5.6
254.09285	1.8
255.10229	1.6
257.11737	5.8
264.07761	1.1
267.10126	2.1
271.13351	1.0
279.09952	1.2
283.09662	3.8
283.13239	3.4
285.11230	12.2
296.10214	0.9
297.11243	1.5
299.09198	1.0
305.13870	1.1
305.23669	0.9
306.05991	1.1
311.12747	2.6
315.12222	8.4
317.13873	12.1
324.96088	0.8
329.14047	2.2
331.15460	3.2
343.12140	0.6
343.15396	25.0
361.16467	100.0
362.16666	1.9
373.16727	1.6
441.86014	0.9
450.92722	1.0
458.80118	0.9
494.22656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	10.2
67.05490	10.9
69.03397	5.7
69.32560	41.9
69.34612	4.6
79.05481	16.8
80.08070	5.3
81.07060	9.1
91.05467	19.4
93.07049	12.6
95.04950	9.1
95.08632	7.3
98.21107	26.8
105.07023	17.5
107.04948	23.4
111.04386	6.3
119.04933	7.9
121.02927	6.8
121.06487	7.1
123.04453	7.3
125.05980	7.0
127.03875	5.8
133.06500	9.4
133.10074	8.1
135.04358	9.8
137.05986	55.3
147.08049	6.0
149.06003	13.0
151.03908	5.8
151.07542	24.1
151.08723	5.2
153.01823	19.0
153.05472	14.7
161.05946	12.7
161.09534	6.4
167.07054	100.0
177.09201	6.7
179.07021	8.4
181.05005	9.9
181.08595	11.5
183.11821	5.2
189.09215	6.5
191.07040	10.0
193.08632	26.7
234.58170	6.9
240.07774	7.3
252.07941	7.1
253.08562	15.1
266.09341	6.3
283.09555	7.5
285.11420	6.5
299.12854	7.5
311.94824	5.9
313.10733	8.0
313.14279	7.0
327.12372	31.2
359.14957	79.8
371.15060	5.8
492.17480	11.3
539.22595	18.3
542.26160	7.0
569.22577	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	569.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05502	4.2
59.05085	2.8
65.03942	7.1
67.05492	9.1
69.03431	4.6
69.40405	27.1
71.04990	3.9
71.21490	3.1
73.84232	2.6
78.04738	5.5
79.05489	16.7
81.03430	6.8
81.07056	11.7
85.02908	4.6
85.06541	3.4
91.05489	15.1
93.03404	3.0
93.07061	8.5
95.04957	9.0
95.08621	13.4
97.06538	3.6
98.21111	13.5
98.65434	3.2
103.05486	4.6
105.07055	24.0
107.04952	13.7
107.08602	7.2
109.02879	6.9
110.03671	6.1
110.76190	3.1
111.04472	8.3
113.02425	3.8
113.81129	3.1
113.98213	3.0
117.07074	3.7
117.22730	3.8
119.04934	6.2
119.08630	4.6
121.02864	6.8
121.06505	10.1
121.10146	6.2
123.04430	5.8
124.05211	4.5
125.06013	13.5
125.09610	4.2
127.03997	4.8
127.11208	3.2
131.04941	5.0
133.10155	10.5
135.04378	5.7
137.05984	31.8
143.10690	5.3
145.06516	4.6
145.10175	3.7
147.04416	4.9
147.11575	3.4
149.05965	7.2
151.03899	3.2
151.07568	14.3
153.01826	34.3
153.05467	21.7
161.05946	7.5
161.09663	4.4
161.13229	3.6
163.03912	3.5
165.09085	3.2
167.07047	80.3
171.02997	6.6
171.11549	3.4
175.07600	7.6
177.05510	3.5
177.09116	6.8
179.07025	6.4
179.10713	3.6
181.05005	4.4
181.06438	6.2
181.08629	7.1
189.09160	4.6
193.08635	27.3
197.05861	3.3
207.10220	3.5
211.07478	3.6
211.09709	4.7
223.07533	6.3
225.09297	4.1
235.07640	3.7
238.06441	4.0
239.07138	4.5
240.07832	6.0
252.07959	3.2
253.08603	15.7
254.09239	3.2
255.06523	73.7
255.09488	4.8
255.10326	4.7
265.08569	6.1
279.10132	3.6
281.08228	6.6
281.11603	5.9
283.09726	8.6
285.11533	3.8
295.09680	5.5
297.11185	4.3
299.12915	5.1
309.11115	4.9
313.10898	6.3
325.10559	5.1
327.12222	26.5
341.13754	6.3
359.14890	100.0
371.14758	8.5
403.31891	3.8
492.17780	9.0
539.22760	11.3
569.22382	4.7
569.30786	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	567.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.05503	17.3
57.07062	12.5
67.05512	37.9
68.82857	3.8
69.07053	21.4
71.57700	5.5
71.58105	5.3
74.09730	5.7
77.51620	4.0
78.64129	4.7
79.05501	38.9
81.07053	59.6
83.08588	11.0
84.86285	3.9
85.06504	3.8
87.16382	3.3
91.05482	60.9
93.07047	66.2
95.04948	13.3
95.08611	46.3
97.06510	7.7
98.21046	3.9
103.05457	5.8
105.07031	89.4
107.08597	66.8
109.10158	53.0
114.52369	4.4
115.05438	8.1
117.07016	19.3
119.08591	100.0
121.06482	4.9
121.10138	61.6
123.11720	23.7
128.06232	12.6
129.06993	17.8
130.07759	10.4
131.08563	54.0
133.10130	59.9
135.08044	7.3
135.11684	46.3
137.06010	5.3
141.07008	9.0
142.07771	15.3
143.08569	33.8
145.10141	63.6
147.11671	24.2
149.09680	4.9
149.13202	4.5
155.08580	21.4
156.09360	12.7
157.10152	52.8
158.10864	6.7
159.08063	5.7
159.11690	34.5
161.09572	5.3
161.13284	18.1
165.06966	5.1
168.09367	4.7
169.10167	25.1
169.11362	4.3
170.11024	4.9
171.11696	22.9
173.13258	30.5
175.11305	4.7
175.14833	24.6
179.08563	7.7
180.09279	7.0
181.10054	12.0
182.10867	6.5
183.11737	19.9
185.13335	19.4
187.11220	5.2
187.14792	20.4
191.14397	6.6
192.09390	6.0
193.10153	12.1
194.10687	4.1
195.11580	19.5
196.12364	4.3
197.13255	17.5
199.14867	11.0
201.16425	10.0
203.14249	5.1
205.15749	4.9
206.10948	9.5
207.11713	16.8
208.12471	5.8
209.13266	17.7
210.14069	5.5
211.14763	9.9
219.11765	5.8
220.12444	8.4
221.13228	10.7
223.14774	10.3
225.16377	5.8
227.17969	5.8
231.11627	5.6
233.13188	5.4
235.14842	6.6
237.16495	7.3
239.18045	7.0
246.14362	4.8
247.14888	7.0
249.16354	6.1
261.16174	5.0
267.17413	5.9
271.14630	4.1
277.19641	5.0
363.80487	4.6
411.30939	4.5
413.27826	4.3
518.61011	4.6
531.39441	5.5
549.40582	14.5
567.41998	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03941	3.6
55.05513	10.3
57.07086	5.8
57.97486	0.9
59.05009	1.5
64.81752	0.9
65.03943	3.7
67.05506	15.6
69.03416	2.8
69.07077	13.0
71.30692	2.0
77.03924	1.1
79.05499	23.8
80.06271	4.1
81.07063	32.2
83.04990	2.7
83.08612	5.5
85.06546	3.2
91.05482	41.6
92.06278	1.7
93.07050	51.3
94.07820	2.0
95.04978	40.0
95.08608	30.5
97.06539	1.8
97.10172	1.1
101.75839	0.9
103.05449	3.9
105.07037	83.1
106.07814	3.4
107.08606	45.2
108.09402	2.3
109.06486	4.7
109.10162	17.0
110.07269	1.2
110.10616	0.9
111.08080	3.1
115.05452	5.6
116.06202	1.8
117.07024	27.9
118.07793	2.7
119.08588	100.0
120.09386	7.8
121.06497	1.5
121.10154	29.9
123.08080	15.0
123.11714	5.6
125.09647	1.8
128.06236	11.5
129.07010	18.3
130.07808	9.2
131.08578	47.8
132.09361	10.2
133.10135	53.0
134.10930	6.8
135.08086	5.7
135.11713	18.0
137.09668	5.3
138.10400	6.5
139.11147	1.4
141.06984	7.6
142.07785	20.9
143.08565	46.5
144.09363	14.9
145.10132	89.3
146.10907	6.5
146.56769	0.9
147.08055	2.7
147.11700	24.2
148.08835	1.1
149.09631	5.8
149.13309	5.6
151.11209	2.6
152.06201	1.1
153.07011	2.9
154.07794	3.8
155.08562	15.4
156.09349	18.8
157.10141	48.6
158.10936	10.7
159.08115	2.7
159.11702	40.4
160.12480	4.7
161.09613	5.5
161.13269	7.2
163.11200	2.1
165.07028	5.5
166.07803	1.3
167.08540	9.4
168.09369	5.9
169.10132	26.2
170.10909	9.4
171.08089	1.0
171.11700	30.5
172.12488	6.4
173.09717	1.2
173.13284	26.0
175.11230	2.6
175.14838	20.9
177.12744	5.9
179.08574	9.7
180.09355	4.2
181.10132	15.0
182.10930	9.2
183.11710	29.5
184.12436	5.5
185.13274	25.4
186.14049	7.6
187.14859	13.7
189.12770	4.0
189.16431	1.1
191.08571	1.1
191.14284	9.3
192.09349	2.6
192.15103	2.6
193.10149	9.3
193.15941	1.9
194.10928	8.1
195.11699	17.0
196.12527	9.0
197.13261	27.7
198.14026	5.8
199.14836	10.1
200.15671	2.1
201.12724	3.5
201.16383	6.7
203.14320	3.9
205.10173	2.1
205.15948	2.0
206.10922	3.2
207.11703	10.9
208.12477	4.6
209.13277	24.0
210.14001	3.2
211.14833	15.3
212.15541	2.4
213.16473	4.8
215.14354	1.3
217.10095	1.4
217.15858	6.5
218.10919	1.2
218.16791	2.3
219.11743	4.0
219.17422	2.2
220.12404	3.0
221.13272	8.1
222.14030	1.6
223.14865	11.7
224.15637	4.7
225.16484	7.6
226.17130	2.3
227.14281	1.2
227.17992	2.5
229.15822	1.3
230.16559	1.3
231.11676	2.2
231.17445	2.3
232.12585	1.2
233.13200	2.0
234.14093	1.0
235.14850	7.9
237.16345	7.1
238.17151	2.5
239.17982	6.3
240.18704	1.6
241.19576	3.2
244.12366	1.1
247.14789	3.1
249.16406	4.5
251.17970	3.6
253.19643	2.3
255.17398	2.8
257.18985	2.5
259.14813	1.2
259.20645	2.2
261.16422	3.5
262.05798	1.1
262.17053	1.2
263.17899	4.6
265.19608	4.4
267.21021	2.1
270.19891	1.1
271.20709	1.7
272.21655	1.4
273.16422	1.3
275.17969	2.4
277.19406	2.2
279.20978	1.8
281.19089	1.4
282.19727	1.3
283.20560	3.0
285.22067	2.7
289.19296	1.2
291.21100	1.2
296.21432	1.2
297.22211	2.4
303.20972	1.3
305.22568	3.3
309.22195	2.4
311.29575	1.8
317.22656	1.3
320.24701	1.0
323.23740	7.9
327.21069	1.1
329.22687	1.3
336.07990	1.1
336.24557	2.0
337.25369	3.0
338.26071	41.0
349.25146	2.4
351.26849	2.5
362.25919	1.6
375.26764	1.5
415.29822	2.2
420.30167	1.7
430.32324	15.7
458.35641	1.3
476.36560	19.6
512.36743	1.6
568.42834	26.7
568.56445	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05517	12.0
57.07081	12.3
65.03938	2.2
67.05512	17.2
69.07070	15.3
69.51186	17.5
70.06599	4.6
71.08620	6.8
79.05500	22.2
80.06284	4.4
81.07060	34.6
83.08611	6.7
85.06552	6.0
88.07619	10.7
89.94321	2.4
91.05479	36.8
92.06279	2.5
93.07056	53.5
95.04975	41.5
95.08609	25.1
97.10181	3.7
98.21000	9.0
102.09163	5.5
103.05476	4.1
105.07034	78.0
106.07809	3.3
107.08598	41.6
109.06510	3.4
109.10152	20.8
111.08105	3.8
111.74039	2.5
115.05476	6.6
116.06242	3.2
117.07011	28.3
118.07822	3.7
119.08585	100.0
120.09356	6.4
121.06531	3.3
121.10158	30.5
123.08086	15.0
123.11740	5.2
128.06232	7.1
129.07011	21.6
130.07782	8.1
131.08572	43.5
132.09354	6.7
133.10129	58.6
134.10922	5.7
135.08086	5.3
135.11690	16.5
137.09657	6.5
138.10396	7.4
141.07014	7.1
142.07814	17.3
143.08559	40.4
144.09375	17.6
144.17967	2.3
145.10126	89.9
146.10919	6.9
147.07951	3.2
147.11688	21.6
149.09639	5.6
149.13263	5.0
151.11124	2.8
153.07028	3.8
155.08551	14.1
156.09335	15.7
157.10147	44.7
158.11000	11.9
159.11693	47.5
160.12411	3.8
161.09644	4.6
161.13278	7.8
165.07018	5.4
167.08559	6.2
168.09343	7.4
169.10135	28.6
170.10934	7.6
171.11685	27.2
172.12421	6.1
173.13287	29.2
175.14867	18.5
177.12772	4.5
179.08606	7.8
180.09337	3.8
181.10098	14.9
182.10870	7.2
183.11678	28.2
184.12549	5.4
185.13277	24.0
186.14058	9.2
187.14767	13.1
189.12732	3.6
191.14359	8.3
192.09232	3.8
193.10118	9.4
193.15866	2.9
194.10875	9.0
195.11690	18.9
196.12502	11.0
197.13240	23.9
198.14049	7.0
199.14815	12.8
201.12810	5.5
201.16432	5.9
203.14386	4.0
207.11708	10.3
208.12474	8.0
209.13271	22.1
210.13931	3.7
211.14824	16.3
212.15527	2.5
213.16370	8.4
217.15932	5.4
221.13264	8.2
222.13931	3.4
223.14851	11.8
224.15613	5.0
225.16411	10.2
233.13278	3.3
235.14842	6.7
237.16432	9.2
239.17976	7.1
247.14749	2.9
248.15581	3.5
249.16437	7.8
251.18050	4.8
255.17537	3.1
256.32266	2.6
259.20593	3.3
261.16418	4.6
263.17896	4.2
265.19577	3.6
277.19623	3.7
283.20523	5.8
283.26337	8.1
284.29544	17.2
285.22104	2.9
297.22137	2.6
311.29474	17.4
312.32687	5.2
323.23795	7.9
337.25137	3.4
338.26093	40.3
430.32300	12.3
476.36493	23.3
509.13736	2.8
568.42926	32.2
568.56647	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1344
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
52.66283	0.7
53.95134	0.8
55.01874	1.9
57.03443	9.4
61.02921	2.9
69.03431	13.3
71.01359	1.4
71.18153	1.6
73.02921	24.7
81.03429	1.0
85.02930	6.0
87.04448	1.2
94.78881	0.8
95.04977	1.7
97.02277	1.5
97.02901	25.5
99.04452	2.6
103.03989	1.2
105.06985	0.8
105.40459	0.8
111.00787	1.1
115.03951	14.1
121.02881	1.6
127.03918	0.9
133.04980	2.2
137.02361	6.8
137.05992	1.1
142.89014	0.9
149.02437	0.9
153.01857	4.2
165.01875	3.0
179.03342	0.8
201.05449	1.9
211.06091	6.5
229.04932	4.5
245.04570	1.0
257.04526	2.4
271.06186	1.0
274.04697	0.9
285.03983	2.0
299.05743	0.9
302.04141	1.1
303.05014	100.0
304.05524	2.0
315.05008	13.1
316.05887	1.4
323.39816	1.0
327.05072	5.0
329.06616	2.2
341.06668	3.5
345.06055	10.6
353.06601	2.6
369.06204	9.5
371.07700	1.1
381.06180	3.0
399.07166	13.3
417.08035	5.9
435.09290	17.5
451.23392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1345
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01862	1.7
57.03190	0.7
57.03441	7.4
57.03705	0.9
61.02914	1.9
69.03086	0.4
69.03434	6.9
69.55511	1.0
69.55915	2.4
71.01350	2.2
71.53779	0.4
73.02922	14.2
81.03421	0.8
81.09607	0.4
83.04984	1.0
85.02913	8.4
97.02901	12.7
98.21174	1.7
109.02910	0.7
111.00813	0.5
111.04431	0.8
115.03936	7.7
121.02848	0.7
122.82090	0.4
123.04391	0.6
127.03907	2.0
133.04951	3.4
137.02347	3.7
137.05974	0.5
139.03886	1.5
145.06494	0.5
147.04549	0.5
149.02345	0.4
153.01842	4.6
157.05045	2.1
163.03905	1.5
165.01840	1.9
165.03090	0.4
167.07051	0.5
169.04948	0.5
179.03311	0.5
183.02925	1.0
187.03935	0.8
194.36856	0.6
201.05457	2.0
203.03917	0.4
211.06039	1.8
229.04974	3.5
229.07166	1.3
257.04480	3.3
285.04056	1.1
299.05521	0.6
303.05005	100.0
304.05331	1.5
315.04977	3.9
327.05099	0.6
329.06366	0.6
339.05304	0.6
341.06491	0.9
345.06131	2.8
353.06592	1.2
357.06055	0.5
369.06027	2.2
381.06049	1.5
399.07147	4.0
417.08093	1.9
435.09091	3.1
586.16815	0.5
593.12286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81933	2.7
53.03943	6.0
55.01872	8.4
55.05502	16.2
57.07075	10.8
59.05006	3.1
65.03941	3.7
66.73603	2.9
67.05514	30.4
67.52697	2.8
68.67372	3.0
69.03423	6.9
69.07066	20.6
69.40415	13.2
69.40845	11.6
77.65221	3.0
79.05488	29.8
81.07059	35.1
83.04976	6.7
83.08613	7.3
83.54538	3.0
91.05484	31.0
93.07041	41.3
95.04964	10.9
95.08607	35.3
95.27132	2.8
97.06521	3.5
98.20866	11.0
105.07027	57.2
107.04858	3.3
107.08592	40.6
109.06516	5.3
109.10161	18.2
115.05453	5.2
117.07022	13.3
119.08592	56.1
121.10164	41.1
123.04458	4.4
123.08083	7.3
123.11723	7.5
125.05950	4.6
128.06245	9.3
129.07011	12.7
130.07764	6.0
131.08574	23.9
133.10123	30.2
135.08044	4.9
135.11702	16.5
137.05981	3.6
137.09636	5.8
141.06990	7.3
142.07819	16.8
143.08546	31.6
144.09285	4.5
145.10117	31.3
147.08028	11.0
147.11678	15.7
151.07622	4.9
153.05440	3.6
155.08566	12.7
156.09354	10.5
157.10130	33.1
158.10858	4.9
159.08147	3.3
159.11673	23.6
161.13316	4.7
163.11177	5.1
165.07079	4.5
165.09123	13.7
167.08557	8.4
167.10690	7.6
168.09338	6.7
169.10144	24.3
170.10941	9.2
171.11690	27.3
172.12167	3.3
173.09618	4.7
173.13283	15.0
175.14833	7.0
179.08560	8.1
180.09323	3.7
181.10152	12.9
181.12224	5.9
182.10875	6.1
183.11668	16.5
185.13266	15.8
187.14897	5.3
189.12660	4.9
192.09341	4.8
193.10158	11.8
194.10890	7.5
195.11726	18.0
197.13264	17.8
199.14825	15.1
203.14308	6.4
205.10199	4.5
206.10959	5.3
207.11732	14.0
207.13666	5.1
208.12476	6.3
209.13246	18.7
211.14833	8.5
219.03348	3.2
219.11752	6.1
220.12459	5.7
221.13225	10.8
221.15378	25.4
223.14815	10.3
231.11670	6.3
233.13301	8.9
235.14978	4.9
237.16411	7.0
239.17966	4.5
243.11661	3.6
245.13229	7.6
247.14700	6.0
249.16466	4.7
251.18040	5.4
253.19646	4.4
259.14841	10.0
261.16287	3.8
263.18152	4.0
265.19418	6.7
271.14899	5.8
275.17892	3.9
277.19473	3.5
282.27884	8.4
289.19467	5.3
310.30984	7.7
313.27286	8.0
331.24130	4.8
444.03082	3.5
473.33975	9.4
547.39221	11.3
565.40430	100.0
569.36169	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03183	1.9
53.03936	5.4
55.01854	7.8
55.05515	23.1
57.03445	12.8
57.07078	41.4
65.03941	3.5
67.05174	3.7
67.05510	57.3
69.03425	4.5
69.07071	20.8
69.46321	1.8
71.01334	6.0
71.04990	4.3
71.08347	1.9
71.08636	22.7
71.57085	3.4
74.34059	1.6
79.05496	34.2
81.03426	33.6
81.07061	46.8
83.04970	9.4
83.08630	17.5
85.10189	13.9
89.05981	2.0
91.05492	23.3
93.07043	25.5
95.04977	57.1
95.08607	35.7
97.06512	4.1
97.10181	14.8
98.07254	1.9
98.21275	2.1
99.68433	1.9
103.35274	1.8
105.07018	21.1
105.90368	1.9
107.04991	12.0
107.08607	18.1
109.02885	13.0
109.06503	6.6
109.10184	15.4
111.04453	3.2
111.08082	2.7
111.11707	2.4
117.07034	10.1
119.08595	14.1
121.06480	5.8
121.10144	16.9
123.03559	4.3
123.04440	75.4
123.08041	3.2
123.11646	4.6
125.09633	10.0
129.07040	9.9
130.07774	2.5
131.08560	8.2
133.06453	4.6
133.10124	7.3
135.08051	5.3
135.11713	14.1
137.05936	5.4
137.13199	3.1
139.03906	2.9
141.07028	2.1
142.78821	2.1
143.08531	5.5
145.06522	2.7
145.10149	19.5
147.08051	7.3
147.11668	6.3
149.05969	2.8
149.09653	4.3
149.13281	3.9
153.05457	2.8
153.09091	4.6
157.10143	4.8
159.11798	2.6
163.07599	3.0
163.11172	18.4
163.14751	2.9
171.11652	9.4
173.09625	7.5
181.04993	2.5
181.10149	2.9
189.12785	11.8
191.10686	5.1
193.12303	1.9
199.11188	3.6
207.13864	15.0
217.12198	12.5
223.13252	2.2
233.08138	5.0
235.13309	100.0
239.23781	4.2
253.14323	3.7
282.27841	2.4
291.15747	3.9
309.16992	57.5
313.27365	96.5
341.26505	1.9
350.40381	2.1
393.29849	2.5
435.25455	3.1
465.29941	3.8
523.58337	2.2
547.39984	54.2
565.31598	6.4
565.40631	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	565.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.2
56.30288	6.1
62.69814	6.8
62.95329	6.6
65.03942	8.5
67.05506	46.1
68.99207	6.0
69.86137	10.4
69.86555	25.6
76.16156	6.9
79.05501	19.0
81.07053	38.8
88.84612	6.6
91.05495	14.5
93.07066	33.8
95.04995	9.2
95.08608	35.4
97.06546	7.2
98.21067	17.2
105.07035	40.0
107.08591	41.0
109.10165	24.8
119.08589	25.3
121.06494	9.3
121.10147	30.4
123.11718	8.4
133.10165	11.7
134.75726	6.3
140.80406	6.7
141.05553	8.0
145.10141	7.9
147.11749	17.0
149.13210	7.1
153.05470	25.6
161.13300	20.1
163.14906	10.9
167.03416	100.0
167.07123	9.2
187.14790	12.8
195.06480	7.4
203.18001	24.2
207.10167	15.0
235.84286	9.4
256.12518	6.9
282.27954	28.8
309.32669	8.2
310.31039	21.1
345.20593	19.5
372.91809	6.8
382.55548	7.8
384.52371	7.7
392.18497	7.2
467.37479	9.1
515.05481	8.0
565.39301	7.7
590.59064	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	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94180	1.1
53.03937	2.7
55.05511	9.6
57.07070	6.8
59.04977	1.2
65.03925	2.5
67.05509	16.7
68.83370	1.0
69.03437	2.7
69.07066	11.9
69.37758	10.6
71.05010	1.2
74.00335	1.1
77.03904	1.8
78.04678	1.1
79.05500	19.6
80.05005	2.3
81.03406	1.8
81.07059	26.9
83.04978	3.7
83.08614	5.3
83.52246	1.0
85.06547	3.0
91.05488	24.9
93.07049	32.2
95.04987	7.3
95.08608	27.2
97.06528	3.6
98.20847	3.7
98.21530	2.2
103.05466	3.7
105.07037	52.2
107.04916	1.2
107.07868	1.4
107.08591	29.5
107.09286	1.9
107.71643	1.2
109.06501	4.1
109.10164	14.3
115.05455	3.8
116.06207	2.1
117.07029	11.6
118.07749	1.2
119.08585	54.2
121.06537	4.1
121.10140	39.9
123.04447	2.3
123.08089	7.9
123.11716	6.0
125.06001	3.0
128.06238	9.6
129.07013	14.0
130.07809	4.5
131.08571	23.7
133.06534	1.8
133.10141	28.7
135.08072	5.4
135.11720	12.1
137.06064	1.4
137.09607	5.4
141.07005	5.3
142.07794	15.1
143.08568	27.4
144.09390	5.6
145.06540	1.1
145.10129	32.7
147.08060	8.7
147.11696	11.7
149.09624	4.0
149.13249	1.6
151.07596	5.9
153.06976	3.6
153.09134	1.8
154.07808	1.7
155.08566	14.1
156.09369	12.0
157.10139	38.5
158.07176	1.4
158.10931	5.6
159.08073	2.6
159.11705	15.7
161.09650	4.0
161.13309	4.0
163.11200	6.8
165.07042	5.4
165.09122	17.0
166.07820	3.1
167.08556	8.6
167.10704	7.0
168.09351	4.5
169.10127	20.5
170.10913	6.1
171.08124	1.5
171.11688	21.6
173.09688	2.3
173.13275	18.1
175.11234	2.0
175.14873	4.8
177.12756	1.5
178.07771	1.6
179.08543	10.1
180.09361	4.6
181.10149	9.9
181.12231	5.2
182.10918	6.1
183.11696	17.4
184.12485	3.3
185.09584	1.7
185.13272	15.9
187.11183	1.9
187.14850	6.0
189.12828	2.8
191.14404	1.7
192.09366	4.4
193.10139	12.2
194.10930	6.6
195.11699	16.6
196.12512	5.1
197.09631	1.3
197.13272	14.9
198.13963	1.5
199.11107	1.6
199.14847	10.0
201.12775	1.6
201.16463	2.5
203.14343	7.4
204.09311	1.1
205.10129	1.9
206.10928	4.7
207.11726	14.8
207.13840	4.5
208.12563	5.4
209.13261	16.3
210.14091	2.0
211.11469	1.4
211.14850	9.2
213.12866	1.4
213.16441	5.0
215.14256	1.7
216.09448	1.3
217.10156	3.1
217.15883	2.8
218.10976	3.7
219.11729	5.4
220.12518	5.2
221.13284	13.4
221.15421	34.0
222.14111	4.2
223.14847	7.2
225.16440	4.0
229.15816	1.4
230.10872	2.1
231.11717	6.0
232.12527	4.1
233.13286	7.4
233.15271	1.9
234.13968	3.1
235.15108	7.3
236.15656	2.4
237.12740	1.8
237.16414	6.6
239.18008	5.2
243.11610	1.8
244.12556	2.6
245.13281	6.8
246.14136	3.3
247.14821	8.3
247.16995	1.6
248.15636	2.2
249.16476	5.2
251.17972	4.2
253.19589	3.9
255.17406	1.4
257.13342	2.8
258.14053	1.9
259.14758	6.6
260.15488	2.2
261.16370	7.2
262.16986	2.0
263.17859	5.7
265.19611	7.2
269.19244	1.8
270.13773	1.3
271.14780	2.7
273.16461	6.1
274.17297	1.5
275.17819	5.4
277.19586	2.6
279.20935	1.5
283.20624	1.5
285.16525	2.5
287.17758	2.7
287.20560	1.9
289.19556	3.6
297.16406	2.1
299.17856	1.5
301.19446	3.2
303.21384	1.6
309.16827	3.6
313.19281	1.5
313.27402	2.5
315.21027	2.1
317.22604	2.5
325.19479	1.2
327.21097	1.6
329.22839	1.9
331.24265	4.3
343.24255	2.5
347.23621	1.4
357.21509	1.1
357.25873	4.3
365.24850	2.0
373.25577	1.6
383.27319	1.3
385.29086	4.1
395.27509	1.8
401.22562	1.2
407.29340	1.2
412.27820	1.4
473.34274	12.4
485.34174	3.4
491.33087	2.7
509.34109	1.8
547.39380	9.6
565.40442	100.0
566.40515	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
53.14180	6.1
55.01862	11.0
55.05520	27.6
55.99157	5.3
57.03432	24.1
57.54819	5.0
58.60577	5.1
67.05508	84.8
69.03432	11.3
69.07063	34.5
71.04987	16.4
78.51256	5.7
79.05489	56.9
81.03404	16.0
81.07061	100.0
83.04980	19.9
83.08609	13.2
85.02894	18.4
85.06532	7.5
85.82136	5.7
87.16169	5.2
91.05486	40.3
93.07045	70.1
95.04981	13.0
95.08614	36.3
95.34725	5.8
97.02914	15.4
97.06530	25.4
97.10158	10.7
98.20794	13.9
105.07037	44.6
107.04958	16.6
107.08595	47.3
109.06516	10.9
109.10171	33.3
111.08116	9.2
117.07028	15.2
119.08558	29.0
121.06557	6.6
121.10164	18.0
123.11758	9.7
127.03909	5.6
129.07007	6.4
131.08580	21.2
133.06563	6.3
133.10139	22.0
135.08093	6.9
135.11707	25.4
141.21887	6.0
145.05023	6.8
145.10107	17.6
147.11685	14.0
149.09648	14.9
149.13271	24.7
151.11208	8.4
155.19919	5.9
159.11668	28.8
161.09616	6.3
163.11198	16.4
173.13248	8.6
177.12730	22.0
179.14322	9.5
196.12039	5.8
255.15961	58.2
257.19000	10.5
269.17474	94.5
275.20099	33.3
285.13348	5.9
349.23727	66.8
367.24844	21.8
564.28546	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	565.1557
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03438	24.6
57.75372	2.3
58.73288	3.4
61.02909	4.9
69.03435	22.9
69.79226	10.9
70.97203	2.4
71.04999	13.4
73.02924	41.5
79.05518	3.4
81.03418	3.9
83.04983	11.1
85.02907	32.3
87.04485	4.1
91.05467	2.9
93.07056	2.8
97.02893	26.3
97.06474	2.9
98.21252	8.1
105.07021	3.4
107.04983	5.4
107.08628	3.5
109.02812	4.1
111.04430	9.6
112.58165	2.4
115.03914	14.1
119.04906	6.2
121.02866	19.8
121.06476	2.9
127.03912	2.8
129.05457	8.5
132.25467	2.5
133.02841	3.7
133.04990	3.6
136.37190	2.4
137.02336	3.6
137.05956	6.9
143.03421	2.6
147.04445	27.6
147.06459	4.4
151.07515	3.0
153.01871	8.3
154.79195	2.5
161.05991	3.1
167.03415	3.6
167.06995	8.0
170.38515	2.6
181.05023	5.7
215.22643	3.2
225.07677	4.0
271.05936	2.6
283.06027	6.3
286.04630	2.9
287.05518	100.0
289.03503	4.4
299.05414	33.3
300.06271	6.0
303.05084	17.4
311.05450	11.1
313.07080	4.3
325.07010	9.8
329.06561	90.3
337.07108	6.2
351.08682	5.9
353.06607	26.2
379.08090	19.1
387.10657	3.1
397.09207	56.6
415.10309	26.6
433.11295	33.7
433.69159	2.8
565.21643	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	565.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
53.67778	1.5
55.01862	6.6
55.05513	23.1
55.19417	1.5
57.03427	6.9
59.04984	3.8
59.80309	1.7
59.84043	1.5
65.03928	4.8
67.05505	100.0
69.03432	11.9
69.07068	7.7
69.74467	9.4
71.04984	7.3
79.05495	35.1
81.03418	56.8
81.07060	33.4
83.04993	9.2
83.08623	16.2
85.02904	13.3
85.06533	3.6
91.05485	39.2
93.07046	22.0
95.04362	2.0
95.04974	35.6
95.08612	16.8
97.02898	16.7
97.06531	4.8
97.10172	15.0
99.04453	2.7
103.05451	3.6
105.07032	22.8
107.04956	15.2
107.08591	16.8
109.02884	31.6
109.06524	5.2
109.10159	57.6
111.04449	10.6
111.08084	5.2
115.05488	3.9
117.07001	10.1
119.04942	5.7
119.08600	18.5
121.02895	4.3
121.06491	13.8
121.10144	6.8
123.04445	11.4
123.08042	4.5
123.11726	1.8
125.02389	4.5
125.09631	11.3
127.03912	6.3
128.06207	2.6
129.06996	12.4
131.04942	7.1
131.08595	8.2
133.06485	6.6
133.10129	12.5
135.04437	1.8
135.08061	6.3
135.11646	3.7
137.05957	4.9
137.09561	3.8
141.06975	3.7
143.08565	5.3
145.06491	6.5
145.10147	6.5
147.04424	8.2
147.08072	4.1
147.11685	11.6
149.05984	6.4
149.09633	3.6
151.11169	2.9
153.05397	2.1
153.09143	2.2
155.08566	4.4
155.10674	2.9
157.06528	3.1
157.10150	9.1
159.08136	3.3
159.11653	2.1
161.06003	7.1
161.09631	5.4
163.11191	7.3
165.12726	2.6
167.08517	2.5
169.10110	2.7
171.08081	2.7
171.11659	3.9
173.04541	1.7
173.06012	5.9
173.09639	3.7
173.11742	19.0
175.07570	2.7
175.11212	7.1
183.11673	2.0
187.07533	2.1
187.11272	2.4
189.05528	5.7
189.09129	3.1
189.11218	8.0
189.12697	2.5
193.12215	12.0
205.12277	3.8
211.13304	9.6
217.12251	1.8
219.13821	1.8
223.13269	2.1
227.12830	5.1
229.14372	22.6
235.13332	7.2
245.13797	3.1
255.13780	2.4
259.13333	3.5
267.15903	4.3
271.13425	3.6
273.14893	19.7
275.16440	1.8
281.13660	2.1
283.13211	4.1
285.14871	6.1
289.14252	3.1
291.16156	3.8
299.14963	2.8
301.14331	20.0
303.15930	6.1
319.15439	13.9
337.16418	3.7
375.18033	6.4
393.19162	7.0
421.25797	2.2
437.23212	1.9
439.26987	6.3
455.24393	3.0
473.25223	3.0
487.26685	3.6
505.27759	2.8
511.26559	2.4
517.27948	6.3
529.27747	17.4
547.29138	25.1
565.30029	57.5
566.30096	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	15.7
55.05513	28.1
55.58851	5.1
57.03429	17.4
57.07061	5.1
58.50343	4.3
61.02917	8.9
67.05505	85.9
68.96375	4.3
69.03410	19.4
69.07080	33.5
69.29508	39.7
71.04994	5.9
73.02876	5.2
73.85547	4.4
79.05493	56.0
81.03420	23.6
81.07059	82.5
83.04977	22.7
83.08607	18.2
85.02902	14.9
85.06553	6.3
91.05479	36.7
93.07044	71.2
95.04970	12.8
95.08604	38.5
97.02848	8.6
97.06514	18.2
97.10192	8.1
98.21122	26.2
105.07031	41.9
107.04937	12.3
107.08587	44.6
109.06505	9.0
109.10155	22.4
111.08118	8.8
117.07006	17.1
119.08588	21.2
119.14194	5.2
121.06503	8.3
121.10168	25.7
123.08053	5.4
123.11714	8.3
125.02480	5.5
125.09692	8.6
125.33961	4.9
127.03886	8.0
131.08574	18.4
133.06505	8.4
133.10146	32.4
135.08080	8.5
135.11720	23.6
145.10094	12.0
147.11682	18.6
149.09642	17.2
149.13300	24.4
151.11177	5.6
157.10175	7.1
159.11678	30.6
161.13345	11.7
163.11142	10.2
173.13307	9.1
177.12737	17.5
195.13786	6.6
198.99585	4.8
235.16692	4.9
255.15939	52.8
257.19006	7.1
269.17490	100.0
275.20087	30.8
326.86777	5.7
349.23755	63.1
367.24823	21.5
377.18909	5.0
530.00500	4.9
548.34381	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19483	1.7
53.03937	6.8
55.01862	9.5
55.05266	2.3
55.05515	35.7
55.06096	2.1
57.03448	12.6
57.07054	4.7
62.53957	2.0
65.03938	7.2
67.05508	100.0
69.03429	3.9
69.07072	23.8
69.43105	2.2
69.55961	14.6
71.04985	7.1
71.08668	2.4
73.14172	2.6
77.90081	1.7
79.05058	3.2
79.05498	54.5
81.03426	32.8
81.07063	96.9
83.04980	20.0
83.08636	23.6
85.02895	7.4
85.06519	4.4
87.13996	1.9
91.05486	56.5
91.86990	2.1
92.05817	2.6
93.06461	3.7
93.07049	57.6
95.04970	17.7
95.08614	66.6
97.06551	10.4
97.10175	17.4
98.21059	7.6
99.08074	4.0
103.05482	3.0
105.07031	39.6
107.04953	6.0
107.08596	37.7
109.06503	5.8
109.10168	38.5
111.04430	6.9
111.08066	10.0
113.06012	2.3
113.09665	2.7
117.07023	15.9
119.08587	42.5
121.06519	4.2
121.10149	28.3
123.08054	3.4
123.11712	11.5
125.09622	9.2
129.06985	10.8
131.08571	32.5
133.09222	3.7
133.10147	26.7
135.08072	5.8
135.11707	20.8
137.09666	3.8
137.13263	2.6
142.07784	2.8
143.08537	7.6
145.10162	24.4
147.08015	5.2
147.11703	23.6
149.09619	7.4
149.13266	12.1
151.11108	2.4
153.12766	5.6
155.08598	5.0
157.10159	11.5
159.11702	15.6
161.09705	2.9
161.13313	11.0
163.11150	7.6
163.14838	5.2
165.12775	2.2
169.10127	5.7
171.11658	8.9
171.76210	2.4
173.09691	3.2
173.13313	11.7
175.11194	7.6
175.14894	4.5
177.12743	2.8
181.10091	2.8
181.12241	6.5
183.11613	5.1
185.13246	6.1
187.14792	5.7
189.11237	5.3
191.10609	2.4
191.14279	2.8
193.12230	24.3
195.11723	3.7
197.13361	3.0
199.14876	3.7
209.13356	2.5
211.13275	37.0
211.14911	2.4
213.16472	3.6
227.12752	9.4
229.14316	3.7
243.21150	2.1
261.22186	21.6
267.08994	2.6
267.15945	4.4
267.20999	2.4
269.17426	4.4
279.23065	4.9
285.16974	16.0
285.22000	5.1
301.21719	2.4
301.25070	5.0
303.23093	6.6
317.24802	5.9
335.25830	29.2
359.25772	3.3
391.28497	2.8
408.91803	2.3
409.51419	2.3
435.32489	10.4
453.33569	10.1
471.34607	8.5
473.32501	5.2
527.37213	23.7
545.30408	4.1
545.38409	70.6
563.32245	3.0
563.39642	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	563.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
56.53695	1.0
57.03426	1.3
67.05493	2.3
69.03429	2.2
69.92132	2.1
69.92532	3.5
75.34872	0.8
81.03416	3.7
81.07044	2.7
85.02886	2.0
85.06534	1.2
89.03919	6.3
91.05476	2.5
95.04976	1.1
95.08598	3.1
99.04510	1.1
105.07020	2.0
107.08583	1.5
109.06487	1.0
117.03379	20.7
117.07069	1.1
119.08610	2.0
121.06492	1.8
123.08070	3.1
133.10129	1.3
134.03639	1.7
135.07977	0.9
135.11705	0.9
137.09598	1.2
145.02844	46.9
147.04417	1.2
147.11647	1.0
149.06017	6.3
149.09631	2.5
153.01825	2.1
167.07016	1.5
177.05470	100.0
178.04924	2.3
186.05472	1.7
187.11182	1.0
189.12689	1.3
195.06528	2.1
207.13795	3.5
209.15285	1.1
211.10767	2.8
303.04971	3.1
321.09714	4.2
338.82236	0.9
339.10791	5.5
361.47849	1.0
363.03458	1.1
431.09549	1.7
488.83466	0.9
577.92426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
56.53695	1.0
57.03426	1.3
67.05493	2.3
69.03429	2.2
69.92132	2.1
69.92532	3.5
75.34872	0.8
81.03416	3.7
81.07044	2.7
85.02886	2.0
85.06534	1.2
89.03919	6.3
91.05476	2.5
95.04976	1.1
95.08598	3.1
99.04510	1.1
105.07020	2.0
107.08583	1.5
109.06487	1.0
117.03379	20.7
117.07069	1.1
119.08610	2.0
121.06492	1.8
123.08070	3.1
133.10129	1.3
134.03639	1.7
135.07977	0.9
135.11705	0.9
137.09598	1.2
145.02844	46.9
147.04417	1.2
147.11647	1.0
149.06017	6.3
149.09631	2.5
153.01825	2.1
167.07016	1.5
177.05470	100.0
178.04924	2.3
186.05472	1.7
187.11182	1.0
189.12689	1.3
195.06528	2.1
207.13795	3.5
209.15285	1.1
211.10767	2.8
303.04971	3.1
321.09714	4.2
338.82236	0.9
339.10791	5.5
361.47849	1.0
363.03458	1.1
431.09549	1.7
488.83466	0.9
577.92426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
54.63013	2.4
55.01862	8.9
55.05513	41.3
55.63030	2.1
57.03434	14.1
57.07070	4.8
59.04998	2.7
65.03921	4.1
67.05504	97.9
69.03413	6.6
69.04535	8.2
69.06766	2.4
69.07069	25.0
69.23646	9.0
69.24069	16.5
71.04976	6.0
79.05061	3.3
79.05497	62.1
81.03418	35.3
81.07057	100.0
83.04982	17.8
83.08624	25.1
85.02890	11.6
85.06541	5.0
91.04962	4.0
91.05483	54.2
93.07040	66.7
94.37644	2.1
95.04970	23.4
95.08607	69.9
96.29328	2.5
97.06516	10.7
97.10183	17.8
98.21093	13.4
99.08068	5.6
101.17204	2.2
102.68858	2.2
105.07034	47.0
107.04956	7.7
107.08590	45.0
109.06496	9.0
109.09444	4.6
109.10146	42.7
111.04430	7.9
111.08085	12.0
116.58781	2.4
117.07034	20.3
119.08585	41.1
121.06519	4.2
121.10157	31.7
123.08034	5.5
123.11720	14.1
125.05920	2.6
125.09622	11.7
128.06186	2.6
129.07028	10.9
131.08560	28.1
133.06552	3.4
133.10136	31.9
135.07983	4.1
135.11674	24.5
137.09601	4.7
137.13263	4.2
139.11211	5.6
139.82367	2.1
141.06912	3.1
142.07759	2.8
143.08546	9.4
145.10129	25.7
147.08104	4.6
147.11684	28.3
149.09598	6.9
149.13269	11.4
151.11086	3.2
153.12750	4.7
155.08524	6.2
156.09344	3.0
157.10161	15.8
159.11685	19.9
161.13263	8.2
163.11162	6.9
163.14786	5.4
165.12772	5.3
165.95947	2.3
167.08516	2.7
169.10150	7.3
171.11703	8.3
173.11913	2.5
173.13240	9.5
175.11205	9.2
175.14845	3.5
179.14323	2.6
181.10135	2.6
181.12225	8.2
183.11720	6.3
185.13284	6.6
187.14745	5.3
189.11192	7.6
191.10730	4.6
193.12262	25.1
195.11629	2.3
197.13269	5.3
201.16402	3.8
203.14343	3.0
211.13269	33.9
211.14977	3.9
213.16333	3.5
227.12747	9.9
229.14299	3.9
243.21120	5.1
261.22183	19.7
267.15851	4.5
279.23245	5.5
283.15356	4.2
285.16898	19.4
285.21909	3.6
301.25031	3.7
303.23108	9.0
317.24664	9.9
335.25809	23.9
417.31555	4.5
435.32562	11.9
453.33786	11.8
471.34549	13.4
473.32498	4.0
489.35733	3.4
509.35858	3.7
527.30988	3.0
527.37341	29.1
545.38306	62.6
545.51611	2.6
563.39209	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13351	1.5
51.69915	1.4
55.01870	3.0
55.05509	10.9
57.03447	12.6
58.29258	1.5
59.04967	1.7
62.95232	1.5
67.05505	19.8
69.03417	2.8
69.07046	7.1
69.52413	12.1
71.04983	2.9
79.05503	24.1
81.03421	79.6
81.07055	24.6
83.04990	12.6
83.08617	22.6
85.02898	12.0
85.06525	2.4
91.04964	2.3
91.05486	28.6
92.83099	1.5
93.07050	13.8
95.04974	28.6
95.08636	7.8
97.02868	3.7
97.06493	3.3
97.10159	5.2
98.20747	3.6
98.21341	4.0
99.08067	2.4
105.07040	17.9
107.04955	6.6
107.08584	6.9
109.06516	4.6
109.10159	3.7
111.04404	2.4
111.08064	5.9
115.05410	2.5
117.07009	2.5
118.90441	1.6
119.08591	16.8
121.06501	4.2
121.10152	8.6
123.08096	2.1
125.09622	3.7
125.31438	1.6
126.67332	1.8
129.06970	12.0
131.08562	12.5
133.06422	4.0
133.10149	5.8
142.07739	4.0
145.06520	2.5
145.10056	2.5
147.08020	3.3
147.11687	11.5
149.09583	5.1
152.06581	1.8
157.10109	10.8
163.11240	2.6
165.12682	1.9
175.11197	12.8
189.11359	2.1
193.12230	28.2
211.13295	19.6
224.31680	1.6
249.14929	3.7
267.15918	100.0
285.16949	20.2
302.68488	1.7
349.21634	3.7
367.22784	9.6
385.23654	13.0
403.24762	2.9
433.25928	10.3
441.26392	4.9
459.27399	51.2
477.22272	2.7
477.28519	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.7
55.01873	29.0
55.05262	2.9
55.05513	41.8
57.03433	11.1
57.06864	1.6
57.07076	17.8
65.03927	5.8
66.04710	2.2
67.05505	100.0
69.03425	7.8
69.07069	30.2
71.01341	1.9
71.04999	9.4
71.08623	3.2
71.49010	2.8
73.02898	3.4
77.03934	3.4
78.04722	2.6
79.05495	97.3
80.06274	5.3
81.03419	21.8
81.07056	87.1
82.04176	8.8
83.04581	2.1
83.04990	16.7
83.08618	17.6
83.55264	1.9
85.02898	4.4
85.06531	4.6
91.05481	74.2
92.06247	2.4
93.07045	87.4
94.07853	2.9
95.04972	28.5
95.08609	54.4
97.02909	2.1
97.06535	14.2
97.10164	12.8
98.07314	7.8
99.08078	6.8
103.05478	2.1
105.04491	3.0
105.07031	52.0
106.07814	3.6
107.04980	8.7
107.08602	47.6
109.06509	8.2
109.10165	26.0
111.04452	2.6
111.08109	6.2
115.05426	2.7
117.07029	21.7
119.08585	40.4
120.09360	3.2
121.06500	5.4
121.10142	34.5
123.08082	9.4
123.11699	5.1
125.09605	9.2
127.11200	5.3
128.97339	1.8
129.07018	10.0
130.07776	3.2
131.08566	30.7
133.06471	1.9
133.10136	33.1
135.08076	5.0
135.11702	21.8
137.09621	3.7
142.07701	2.1
143.08560	6.1
145.10124	20.5
147.08080	2.8
147.11690	23.2
148.88196	1.8
149.09637	5.0
149.13272	10.4
151.11206	6.8
153.09155	2.1
153.12744	2.0
155.08546	3.3
157.10146	10.5
158.05704	2.7
159.11670	14.7
161.09593	2.9
161.13260	6.8
163.11230	4.9
165.12823	2.6
169.10190	2.3
171.06516	6.9
171.11748	4.0
173.09773	2.3
173.13243	10.2
175.11266	5.1
175.14833	4.1
179.14296	2.2
185.13211	2.5
187.14824	4.8
193.12273	8.0
201.14815	4.6
201.16518	2.4
211.13292	8.6
213.11183	2.2
227.12852	3.3
229.14354	2.2
231.76358	1.9
235.16461	2.1
247.16988	3.2
255.15852	3.7
259.20593	3.7
261.22183	5.8
267.15869	5.3
269.17651	1.9
275.20105	4.7
277.21689	9.0
315.23218	6.7
317.24805	3.7
335.25934	4.0
389.26932	5.9
417.29941	4.0
451.32275	2.8
459.34756	2.7
469.33191	2.5
487.34045	3.7
543.36969	18.4
561.37823	83.3
562.38147	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93027	2.4
53.03944	6.9
55.01872	12.1
55.05514	47.0
56.05834	3.0
57.03447	13.8
57.07079	3.7
59.04982	3.2
62.21736	2.6
65.03949	5.7
67.05508	100.0
67.05872	5.2
69.03439	5.3
69.07073	37.6
71.04995	7.7
71.08659	3.3
71.57092	3.8
79.05496	79.3
81.03416	35.3
81.07062	93.7
81.30483	2.4
83.04988	12.7
83.08627	24.1
85.02906	8.5
85.06552	5.4
91.05482	76.4
93.07050	65.3
93.35470	2.4
95.04970	25.0
95.08608	48.4
97.06532	20.0
97.10178	20.9
99.08109	4.2
102.73085	2.6
103.05462	3.9
105.07037	65.0
107.04958	15.2
107.08603	42.1
109.06518	6.5
109.10165	27.2
111.04436	3.7
111.08095	9.7
115.05483	4.1
117.07027	32.9
119.08588	54.8
121.06525	4.9
121.10140	30.1
123.08112	5.9
123.11728	6.9
125.09634	11.7
128.06232	5.3
129.07021	27.6
131.08569	44.7
133.06506	6.3
133.10136	40.5
135.08066	7.8
135.11743	14.8
137.09657	6.3
141.07024	9.6
142.07820	2.8
143.08571	20.9
145.10121	31.6
147.08084	5.1
147.11705	30.5
149.09644	9.3
149.13292	11.6
151.11185	5.6
153.07010	2.7
155.08571	11.3
157.10152	23.3
159.08093	3.0
159.11664	25.0
161.13254	18.5
163.11183	11.4
165.12729	5.1
167.08607	5.5
169.10184	14.9
171.11641	17.1
173.09666	3.4
173.11775	5.4
173.13269	9.8
175.11197	7.8
175.14832	7.3
177.12808	4.6
179.08556	3.4
179.14377	7.5
181.10201	5.6
183.11728	9.4
185.13338	14.4
187.14838	4.5
189.11249	8.9
189.12813	4.3
193.10713	3.3
193.12248	16.9
195.11687	4.7
197.13312	11.0
199.14833	9.8
201.16321	4.7
209.13356	4.7
211.13245	27.3
211.14937	5.4
213.16322	4.6
221.13469	3.4
223.14928	3.9
227.12788	11.0
229.14340	4.8
239.17935	3.2
241.19566	11.0
257.19107	4.1
259.20596	26.4
267.15860	13.1
269.17422	8.3
275.20026	14.8
277.21637	12.1
285.16864	12.6
291.19510	4.8
297.22110	7.3
299.23651	5.9
311.20419	3.2
315.23306	14.7
317.24765	3.8
331.22836	4.0
333.24377	17.8
337.25314	3.1
343.22641	4.1
349.23813	4.2
351.25458	3.4
353.24548	2.8
365.23694	3.4
406.70047	2.9
415.30115	4.4
433.30997	12.8
451.32034	17.0
469.33160	11.0
487.33914	5.5
507.34479	4.0
517.35132	3.9
525.35815	24.4
543.36798	80.3
560.67725	3.0
561.37866	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36911	0.3
60.13027	0.3
63.96349	0.3
69.03422	0.8
70.05150	1.5
74.86623	0.3
78.04691	1.4
79.05480	0.6
85.02889	1.4
88.74131	0.3
91.05461	0.9
97.02888	0.3
98.21029	0.6
103.05495	0.4
106.04176	0.9
107.04936	0.7
121.06496	0.9
123.04437	4.1
124.05174	1.5
127.03886	0.3
131.04965	0.9
137.05981	0.5
145.04973	0.4
151.03935	0.7
152.04689	1.0
153.01797	0.8
153.05563	0.5
167.07039	100.0
168.07420	0.7
176.04849	0.3
179.08679	0.4
181.06512	0.4
181.08627	0.6
182.07172	0.3
191.07018	2.2
193.08560	0.6
195.08064	0.5
213.09160	0.6
225.09073	0.4
253.08527	0.6
267.10297	0.4
273.10986	0.4
285.11340	0.5
299.09155	0.5
301.10693	0.9
303.01324	0.4
313.10703	2.7
314.11578	0.5
333.13351	3.6
345.13312	13.3
363.14417	1.6
473.90240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01863	17.1
55.05510	60.7
57.03428	10.8
59.05003	3.4
65.03951	4.2
67.05502	92.2
69.03434	4.2
69.07073	28.9
69.36681	14.2
69.37119	13.9
71.04979	7.9
75.42677	3.5
79.05493	68.2
81.03420	14.5
81.06572	5.7
81.07055	88.3
83.04974	20.2
83.08606	33.7
85.02913	3.9
85.06532	4.4
91.05478	54.1
93.07051	78.8
95.04974	17.4
95.08609	56.9
97.06532	8.1
97.10164	36.6
98.20859	11.4
98.21531	6.6
101.06038	3.3
105.07037	52.4
107.04912	7.9
107.08601	47.3
109.06499	7.2
109.10159	29.5
111.04436	8.4
111.08069	8.2
117.07023	24.0
119.08593	42.0
121.06519	6.0
121.10130	29.4
123.08055	5.8
123.11718	14.2
125.09641	29.2
129.07007	11.6
131.08557	39.3
133.10115	29.4
135.08057	11.9
135.11720	22.1
143.08620	8.9
145.10109	38.1
147.08044	4.7
147.11694	19.9
149.09662	6.1
149.13228	6.2
153.09114	3.6
153.12752	13.9
155.08530	5.1
157.10086	9.0
159.11662	26.4
161.13264	10.4
163.11192	19.0
167.08501	3.5
169.10120	8.2
171.10262	4.0
171.11714	12.0
173.09702	3.5
173.13242	19.0
175.11183	5.1
175.14865	8.1
176.96198	3.3
177.12744	3.7
181.12260	9.7
183.11714	6.2
185.13298	9.8
187.14839	9.9
189.11226	19.0
189.16454	4.0
191.10715	7.4
195.11650	7.1
197.13344	8.2
199.14832	6.2
209.11678	4.6
227.12804	38.2
241.19521	3.6
245.13699	3.8
259.20486	5.2
261.22058	18.7
267.16068	5.9
273.22232	6.5
275.19980	4.4
283.15390	17.8
299.23611	22.3
301.21597	5.2
317.24728	21.1
325.21442	4.1
333.24353	7.8
335.25827	15.8
433.30981	10.9
451.32269	15.9
469.33255	20.3
487.34177	12.5
515.37256	4.7
525.35852	25.8
543.36713	100.0
544.37115	4.3
561.37750	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01872	1.4
55.05506	0.8
57.03430	0.3
57.07069	0.3
67.01874	0.3
67.05511	2.0
69.03418	0.5
69.07068	6.5
71.31926	0.5
79.05501	5.4
81.07059	1.5
83.01347	0.3
83.08594	0.3
91.05473	0.5
93.07040	1.8
95.04984	0.5
95.08617	1.1
97.06534	29.5
97.10159	0.3
98.06877	1.1
98.21162	0.3
105.07020	0.4
107.08584	0.7
109.06499	0.3
109.10141	0.7
119.08569	0.4
121.06515	0.8
121.10122	0.6
123.11717	0.4
133.10117	0.4
138.06718	0.4
139.07509	1.1
149.05997	1.8
149.09673	0.2
151.07518	0.3
166.06261	0.5
167.07043	18.6
168.07298	1.2
169.49364	0.2
177.77028	0.2
191.10570	0.3
207.10292	0.4
219.10170	1.6
263.12784	100.0
264.13129	6.9
282.14844	0.2
332.30310	0.2
463.33472	0.6
494.29782	0.3
559.30963	0.4
559.39441	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.7
53.03932	9.4
55.01863	6.1
55.05517	25.9
57.03426	10.6
57.07069	2.9
60.80948	2.4
62.87611	2.5
65.03934	3.8
67.05506	97.3
69.07065	18.2
71.04987	2.8
73.02804	2.8
75.73832	2.6
79.05493	93.8
79.05954	4.9
81.03404	9.2
81.07058	91.5
83.04984	11.8
83.08607	13.0
85.06538	4.6
91.05484	72.3
93.07047	100.0
95.04976	22.1
95.08612	66.8
97.06541	7.1
97.10194	4.4
98.21114	17.4
100.35373	2.6
105.07034	53.4
105.91391	2.6
107.04949	6.5
107.08600	36.2
109.06517	5.5
109.10162	17.7
111.08095	5.8
115.05451	2.4
117.07033	15.2
117.07719	2.7
119.08580	30.1
121.06548	5.8
121.10139	24.4
123.08089	6.1
123.11718	6.7
128.06187	3.0
129.06999	16.0
131.08575	16.4
133.10103	19.2
133.53996	2.6
135.11719	13.9
143.08560	10.0
145.06488	3.6
145.10107	24.0
147.08070	2.7
147.11687	37.4
149.13251	7.3
157.10036	2.5
159.11681	7.1
161.09598	4.0
161.13249	13.4
163.14740	3.1
169.10220	2.9
171.11703	28.0
173.13272	6.8
177.16272	2.5
187.14828	6.2
189.12747	13.3
207.13789	24.8
213.16519	3.4
243.21016	4.5
256.26212	3.7
261.22095	12.7
279.15924	4.3
281.17502	50.7
281.20508	2.0
299.84760	2.5
335.25775	64.4
336.25775	2.4
449.34070	4.6
485.35956	3.5
541.38910	93.8
542.38873	3.6
559.39301	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	560.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
66.38130	0.2
69.03420	0.4
70.69930	0.8
72.24866	0.3
78.04318	0.2
78.04704	1.6
79.05495	0.3
81.03388	0.3
85.02906	1.5
91.05466	0.7
95.04984	0.8
97.02863	0.3
106.04175	1.0
107.04949	0.4
109.02851	0.3
118.04149	0.4
119.04916	0.3
121.06528	1.1
123.04430	5.0
124.05280	1.3
127.03936	0.4
131.04942	1.0
135.04391	0.3
137.05957	0.6
145.04982	0.5
149.05966	0.3
151.03882	0.8
152.04639	1.6
153.01813	0.3
153.05495	0.4
167.07045	100.0
168.07423	0.8
177.05524	0.4
179.07043	0.3
180.08694	0.4
181.06471	0.7
181.08562	0.9
191.07036	2.7
193.08659	0.4
209.06178	0.3
209.08095	0.5
209.47690	0.3
210.06612	0.4
213.09109	0.3
216.20111	0.3
238.06178	0.3
241.08673	0.5
253.08589	0.3
271.05972	0.5
273.11227	0.4
285.11304	0.8
301.10773	1.1
313.10623	3.0
314.11496	0.5
333.13367	3.4
345.13333	13.1
363.14380	1.7
445.04114	0.3
508.86087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.2
55.01881	17.3
55.05514	40.0
57.03442	12.3
57.07078	3.0
59.05006	3.1
65.03944	6.5
67.05511	82.8
69.03444	10.5
69.07076	39.8
71.05005	10.4
71.56499	4.5
74.70658	1.9
76.29346	1.9
77.37207	2.5
79.05496	81.5
81.03424	69.6
81.07063	100.0
82.07432	2.3
83.05005	15.6
83.08625	33.5
85.02901	18.1
85.06561	7.8
87.04503	2.4
91.05488	78.1
93.07058	48.2
93.89846	2.1
95.04978	36.3
95.08615	42.7
97.02925	5.2
97.06547	18.8
97.10181	19.3
99.08137	3.7
103.05523	3.1
105.07040	78.4
107.04952	19.7
107.08605	54.0
107.09285	4.0
109.02908	3.7
109.06523	22.0
109.10172	28.6
111.04470	5.6
111.08128	10.1
115.05501	4.0
117.07032	24.6
119.04974	3.0
119.08594	50.0
121.06552	8.8
121.10151	24.5
123.08113	9.4
123.11713	10.9
125.06016	2.9
125.09644	15.8
127.03975	4.0
129.05524	4.2
129.07027	20.4
131.04900	2.7
131.08575	32.2
133.06544	7.3
133.10139	36.2
135.08032	13.8
135.11707	11.1
137.06009	3.3
137.09645	10.9
142.07767	3.7
143.08575	11.2
144.09381	2.3
145.06563	4.1
145.10130	35.6
147.08113	8.9
147.11703	37.2
149.09659	22.2
149.13322	8.3
151.11241	5.1
153.09235	2.6
155.08641	6.4
157.08838	4.6
157.10199	17.1
159.08159	2.7
159.11682	16.9
160.20952	2.3
161.09682	5.2
161.13313	7.0
163.11168	13.9
165.12816	6.2
168.07863	2.5
168.09378	2.5
169.10173	8.2
171.11792	6.2
173.11862	4.5
173.13367	8.0
175.11203	16.8
175.14973	4.5
177.12749	3.9
178.05066	2.9
179.14429	6.2
181.10254	2.7
181.12340	2.0
183.11784	6.9
185.13173	3.1
187.11308	4.9
187.14912	4.7
189.11234	10.7
189.12776	3.5
193.12250	37.2
193.13834	3.4
195.11755	4.4
197.13367	6.0
211.13284	26.9
227.12750	11.1
227.63702	2.3
229.14413	3.7
229.19614	3.1
239.18126	7.3
257.19028	16.7
267.15948	23.4
267.18033	2.0
275.20087	65.2
285.17133	4.4
293.21310	5.1
297.22327	4.4
299.20276	5.1
313.22104	2.8
315.23444	4.5
331.22809	4.9
349.23853	14.3
373.23770	3.8
382.96567	2.2
431.29745	4.8
435.74716	2.4
437.26068	2.3
449.30780	7.2
467.31796	10.9
477.28818	2.4
485.33020	3.5
506.28555	3.7
523.34558	4.7
541.35327	42.6
541.43085	3.5
559.36407	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.5
53.03942	10.5
55.01873	11.0
55.05509	33.7
57.03438	12.5
59.05025	1.5
65.03931	3.5
67.05504	66.7
67.05865	3.2
69.03426	5.9
69.07071	28.6
70.25326	1.8
71.04980	6.7
71.08634	1.7
79.05493	65.6
81.02924	1.5
81.03416	62.1
81.07055	100.0
83.04978	15.2
83.08615	32.2
85.02894	11.0
85.06553	5.7
89.03847	1.5
91.05479	63.9
93.07043	50.3
95.04964	29.6
95.05548	2.0
95.08604	39.4
97.02880	2.7
97.06516	16.9
97.10159	12.7
99.08146	1.9
103.05477	3.2
105.07027	60.3
107.04939	11.5
107.08599	34.0
109.06525	26.0
109.10161	13.8
111.04498	2.0
111.08090	11.4
113.06004	2.4
115.05488	3.8
116.06241	2.9
117.07010	18.9
119.05064	1.3
119.08579	56.2
121.06523	8.4
121.10134	16.4
123.08069	6.8
123.11682	9.5
125.09610	11.9
128.06226	4.1
129.07010	15.0
131.04987	1.5
131.08566	27.6
133.06503	7.1
133.10135	36.2
135.08080	7.9
135.11702	9.3
137.09627	4.6
141.06969	2.4
142.07817	2.7
143.08542	10.1
144.09389	1.6
145.06471	1.7
145.10120	28.6
147.08078	6.0
147.11684	31.2
149.09622	18.6
149.13246	6.3
151.11148	3.8
155.08607	4.4
156.09474	1.5
157.10110	17.4
159.08102	2.6
159.11685	20.7
161.09683	3.3
161.13304	6.0
163.11200	13.6
163.14862	3.6
165.12704	8.7
169.10178	6.2
171.11699	6.7
173.09590	4.9
173.13229	7.8
175.11186	11.4
175.14893	2.3
177.12738	3.9
179.14354	4.8
181.10139	2.4
183.11737	7.0
183.13268	1.5
185.13313	5.1
187.11272	4.5
187.14821	2.8
189.11284	5.3
189.12814	2.7
193.12244	27.8
195.11685	2.9
197.13324	3.0
199.14896	2.3
201.12877	2.1
207.11681	2.6
207.13828	2.7
209.13278	2.3
211.13254	26.0
215.14334	2.0
227.12831	5.2
229.14340	2.4
229.19547	5.2
233.18979	1.9
239.17982	6.0
247.20589	4.5
249.14864	2.7
257.18964	16.7
267.15887	25.5
273.18463	3.2
275.20056	80.0
285.16925	3.0
293.21054	9.4
297.22061	2.1
299.20200	2.6
315.23276	3.2
330.17847	1.6
331.22748	3.6
349.23782	11.0
388.40244	1.6
431.29361	2.1
449.30453	5.8
467.31668	9.7
485.32590	3.6
513.36285	2.6
523.34094	3.5
541.35291	37.6
559.36322	79.2
560.37048	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	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.8
53.03947	7.4
53.60592	2.2
55.01870	18.1
55.05260	3.5
55.05513	49.0
57.03439	18.6
57.07058	3.2
65.03941	7.9
67.05505	77.5
68.08487	2.0
69.03439	5.9
69.07071	35.6
71.04999	7.7
75.20816	2.0
77.72494	2.4
79.05495	89.3
79.05962	4.3
81.03419	61.5
81.07059	69.7
82.03672	2.1
83.04985	18.7
83.08613	32.1
85.02912	18.7
85.06537	3.2
91.05483	79.5
93.07048	53.2
95.01326	3.3
95.04975	37.0
95.08611	39.8
97.02882	4.1
97.06536	26.0
97.10172	20.7
98.20905	10.7
98.97440	2.4
100.93121	2.2
103.05483	4.2
105.07031	82.3
107.04939	19.7
107.08598	71.9
109.06514	10.8
109.10155	20.3
111.04452	2.3
111.08067	12.2
113.05996	5.3
113.09645	3.3
113.72842	2.2
115.05463	4.7
116.06224	3.7
117.07026	24.1
119.06136	2.7
119.08585	50.6
119.09431	2.8
121.06527	6.6
121.10163	21.6
123.08096	5.9
123.11714	9.3
125.09640	19.3
128.06204	3.6
128.41817	2.1
129.07013	21.3
130.07794	2.4
131.08571	38.2
133.06509	5.5
133.10135	32.2
135.08060	7.4
135.11697	6.6
137.09602	3.9
141.07014	4.8
142.07800	5.5
143.08577	12.5
145.06544	4.6
145.10123	37.0
147.08098	6.1
147.11691	33.9
149.09619	25.0
149.13268	2.8
151.11304	2.3
155.08585	5.3
157.10146	23.2
159.08173	3.8
159.11725	11.2
161.09615	4.5
161.13301	9.2
163.11183	13.4
165.09181	2.9
165.12764	5.7
167.08565	4.8
169.10104	11.4
171.11659	10.9
173.09721	2.7
173.11836	5.3
173.13319	9.2
175.11186	14.3
177.12805	5.0
179.14342	9.9
183.11760	6.6
185.13307	6.9
187.11168	7.0
187.14848	3.4
189.11250	11.6
189.12755	4.0
193.12248	38.3
195.11783	3.5
197.13330	6.8
201.12851	2.7
203.14366	3.0
209.13319	3.5
211.13278	39.2
215.14339	3.2
223.15176	2.3
227.12787	15.6
235.06747	2.4
239.17966	3.8
243.15813	2.6
257.19147	12.5
267.15866	16.5
273.18683	2.8
275.20062	69.3
281.19131	3.5
285.16595	2.5
293.21155	9.8
297.22281	3.5
299.20050	6.0
315.23193	4.7
327.88797	2.8
349.23679	13.2
355.22650	2.7
373.23657	2.7
397.22360	2.3
406.69116	2.4
413.28442	2.8
431.29349	3.4
449.30652	9.4
467.31613	8.7
485.32843	4.7
523.34198	6.9
541.35284	46.0
542.35858	3.2
559.36316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
53.03951	9.3
55.01873	26.2
55.05516	36.0
57.03445	11.6
65.03946	5.5
67.05508	79.9
69.03438	4.0
69.07070	41.0
70.60172	5.3
71.05002	5.1
79.05494	64.7
81.03419	56.3
81.07062	77.8
83.02434	2.2
83.04979	15.8
83.08625	23.5
85.02937	13.1
85.06537	5.5
89.52970	1.8
91.05487	86.8
93.07045	48.7
95.01322	14.2
95.04978	37.5
95.08038	3.8
95.08608	47.0
97.02882	2.4
97.06538	42.9
97.10174	16.3
98.20849	2.5
98.21389	2.7
99.08120	2.1
103.05449	4.7
105.07033	98.0
107.04963	28.0
107.08611	26.2
109.06523	10.2
109.10169	16.1
109.39977	1.9
111.08090	9.0
115.05489	5.4
116.06195	2.2
117.07036	21.9
119.04945	2.0
119.08582	55.9
121.06521	7.4
121.10158	19.4
123.04482	2.2
123.08082	8.6
123.11716	3.6
125.09631	7.8
128.06233	3.9
129.07002	17.1
131.08565	39.6
133.06488	6.5
133.10135	49.0
135.08052	7.2
135.11679	10.3
137.09622	7.4
141.07030	4.8
141.78444	2.2
142.07771	5.0
143.08572	8.4
145.06500	6.5
145.10139	31.5
147.08038	6.6
147.11702	25.8
149.09647	16.6
149.13237	5.6
151.11168	2.4
155.08562	4.7
157.06493	2.5
157.10152	15.6
159.08063	2.7
159.11720	14.7
161.13261	8.8
163.11201	8.6
163.19464	2.0
165.09164	2.9
165.12727	2.9
169.10147	4.6
171.11739	5.4
173.09637	2.4
173.13260	5.1
175.11143	9.3
177.12769	5.2
179.14320	17.8
181.10027	1.9
183.11710	4.7
185.13269	4.8
187.11226	7.2
187.14880	2.5
193.12242	22.7
197.13188	3.7
205.12228	3.9
211.13254	13.9
227.12802	3.1
229.12346	2.2
229.19485	3.4
239.17775	2.1
247.20580	2.3
248.85561	2.2
257.19003	10.0
267.15936	38.6
273.18524	2.7
275.20068	100.0
279.15698	2.6
291.19443	3.7
293.21124	10.6
299.19962	2.3
313.21515	2.4
315.23236	3.0
349.23721	14.0
427.54337	2.5
449.30740	3.6
467.31329	3.9
481.12521	2.2
481.20816	2.1
523.34332	3.0
541.35266	42.8
559.36230	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
57.03412	1.2
67.05518	1.9
67.60887	1.1
69.03455	1.6
69.07068	3.5
71.04995	6.5
71.57533	1.2
79.01853	1.3
79.05495	8.7
81.03429	3.5
81.07063	2.1
83.04974	2.2
85.02899	1.6
91.05502	8.0
93.07047	11.1
95.04966	3.2
97.02899	2.8
97.06546	2.1
105.07033	8.3
107.04946	3.8
107.08598	19.2
109.02864	1.3
109.06509	2.2
112.07468	1.0
114.41592	1.1
117.07050	1.2
119.08572	3.3
121.06512	13.1
121.10142	10.5
125.02393	1.2
125.05989	1.9
125.09639	2.3
127.03924	4.3
129.06970	2.3
130.07785	1.0
131.08568	64.1
133.10101	1.1
135.08072	1.4
135.11711	2.0
137.05997	2.3
143.03349	1.9
145.10124	15.0
147.08075	1.2
149.06001	1.7
149.09616	26.4
153.01833	39.6
153.05486	3.3
154.02158	7.2
163.11166	9.6
165.09157	2.3
167.07062	2.3
167.10701	1.3
171.02882	5.0
191.10670	20.1
209.11736	100.0
225.14859	1.7
226.15137	2.1
243.15942	2.6
244.16292	1.7
289.55460	1.1
297.06015	3.4
315.07028	9.4
440.54947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67441	2.7
59.97625	3.1
60.00031	3.2
69.03412	5.1
69.42664	25.2
72.47586	2.9
79.05499	5.2
81.03407	3.8
85.02911	11.3
91.05498	19.4
95.04965	5.9
97.02857	4.2
98.21347	10.1
103.05470	15.7
105.07039	10.1
107.04962	32.1
111.40607	3.2
119.04950	17.8
121.06524	7.0
122.03653	4.0
127.03940	5.3
129.07030	5.8
131.04939	18.7
131.08546	2.9
133.02850	9.1
133.06471	8.4
135.08057	13.7
137.05988	100.0
147.04437	15.6
149.05980	10.5
150.03032	3.0
151.07565	36.6
153.01839	24.2
154.02155	8.9
157.06459	3.1
161.05980	71.7
161.07227	5.1
161.09639	17.3
162.06821	6.6
163.07553	59.2
174.06755	4.3
175.07587	13.3
177.05440	5.0
177.09099	7.8
179.07018	11.1
181.08620	8.9
189.09099	43.8
191.07115	3.5
191.44977	3.3
193.06575	4.4
195.08139	6.2
207.10190	71.7
207.12033	2.5
209.11636	4.3
219.10225	6.5
221.09679	4.2
225.14836	4.1
226.14864	3.4
227.10620	5.0
244.16086	3.2
253.12305	3.2
255.10078	6.2
285.11258	5.5
287.12820	20.8
311.12677	10.5
313.14426	20.6
331.15424	41.2
343.15448	9.0
366.90225	3.3
489.13602	3.8
502.57712	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.05516	6.9
57.03414	0.8
65.25779	0.7
67.05496	2.2
69.03426	4.1
70.83117	1.0
70.83449	1.5
71.04985	1.4
79.01855	3.1
79.05495	2.1
81.03416	8.3
81.07050	2.7
83.04985	5.6
83.08625	7.0
85.02902	3.7
91.05511	1.1
93.07052	1.5
95.04980	20.4
95.08595	1.2
97.02896	4.2
97.10180	1.0
98.20969	1.4
98.21497	1.0
99.04475	5.9
105.07051	1.8
107.01328	1.2
107.08598	6.4
109.02903	5.8
109.06532	1.8
109.10181	5.1
109.10796	0.9
111.08066	1.6
121.10148	2.4
123.08046	1.0
123.11724	2.3
125.02348	3.5
125.09620	1.6
127.03942	9.2
131.08586	0.8
133.10132	3.2
135.08038	1.1
137.05997	1.7
137.09561	0.8
143.03433	5.9
145.04980	1.3
145.10124	1.3
149.13271	2.4
151.11220	7.3
153.01842	100.0
153.09106	7.5
161.13260	0.9
167.14311	8.7
171.02914	13.8
173.13269	2.3
178.04922	0.9
179.14319	6.4
190.87590	0.9
191.14348	2.3
209.15392	50.1
213.64230	0.8
297.06161	7.6
315.07089	21.5
563.64331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17723	3.1
55.05516	15.2
55.16906	3.4
57.03437	9.9
57.07078	33.0
57.17452	3.0
57.48380	3.1
67.05180	3.5
67.05495	22.4
69.03434	6.4
69.07081	18.2
71.05003	6.0
71.08647	21.6
71.56721	4.2
79.05494	13.3
81.03423	45.2
81.07063	35.0
82.32854	3.8
83.04984	13.3
83.08624	25.9
85.02909	13.1
85.06537	4.3
85.10196	12.5
89.06059	4.1
91.05483	18.0
93.07043	11.6
95.04988	18.1
95.08614	23.7
97.06535	15.1
97.10185	5.1
101.85558	3.5
102.33911	2.8
105.07041	15.0
107.04945	4.2
107.08613	7.6
109.06509	3.7
109.10159	13.1
111.08089	6.7
119.08590	13.3
121.10121	4.4
123.11729	4.9
125.95982	3.5
129.07045	5.7
131.08588	6.5
133.10146	5.0
134.98300	3.0
145.10190	3.5
147.11687	10.8
151.07547	5.6
157.10167	7.8
165.12692	5.1
166.38428	3.5
167.07053	77.6
175.11169	8.7
178.13298	3.1
189.09251	3.9
193.12276	30.6
194.74490	3.1
211.13310	53.9
248.60085	3.4
250.15614	3.5
256.26459	6.1
263.12836	23.7
267.15884	9.8
284.26987	6.6
285.16968	36.9
313.27399	65.0
359.25897	4.2
387.25418	6.9
443.31613	12.0
461.32590	36.0
505.38733	9.1
523.39978	100.0
558.39398	16.9
558.53497	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	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01869	3.5
55.05514	17.1
57.03440	18.5
57.06820	3.5
57.07081	45.5
67.05507	31.0
69.03439	2.4
69.07073	11.7
69.30695	18.1
71.04976	4.7
71.08639	34.4
79.05505	22.6
81.02973	4.0
81.03422	54.5
81.07067	31.0
83.04975	15.9
83.08627	22.6
85.02897	19.2
85.06554	2.8
85.10191	19.4
87.04458	2.1
89.06036	7.4
90.38094	2.1
91.05494	31.2
93.07058	18.7
95.04984	23.1
95.08615	28.3
97.02869	2.4
97.06595	4.4
97.10173	8.3
98.21260	8.4
99.08092	1.9
105.07039	21.3
106.43814	1.8
107.04994	5.9
107.08592	6.6
109.06507	4.7
109.10178	11.7
111.04475	3.5
111.08096	10.4
115.05552	2.1
119.08591	21.2
121.06487	2.5
121.10141	9.3
123.08088	2.3
123.11710	5.4
129.07005	11.0
131.08569	8.8
133.06471	3.1
133.08618	2.5
133.10146	11.9
137.09544	3.0
142.07823	2.8
147.07991	2.6
147.11726	12.8
149.09642	5.8
152.73619	2.2
157.10144	12.8
163.11258	2.6
165.12785	3.1
175.11174	15.4
175.72066	1.9
193.12259	47.0
211.13316	72.1
239.23817	3.0
257.24689	2.5
263.12860	3.0
267.15884	18.9
285.14581	1.4
285.16980	63.5
313.27380	100.0
317.82053	1.9
323.89035	2.1
328.80008	2.3
398.47391	2.0
505.39169	11.4
522.98145	2.3
523.39972	68.6
558.54077	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	559.2386
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
55.01872	1.6
55.05512	3.1
56.58428	1.3
57.03448	2.2
67.05503	3.6
69.03432	5.8
69.07066	1.8
69.74617	8.9
79.01856	4.5
79.05492	4.3
81.03436	6.2
81.07058	6.9
83.04982	3.8
83.08603	1.7
85.02905	5.1
86.09695	1.8
91.05498	3.8
93.07043	7.5
95.04986	10.7
95.08620	4.8
97.02913	4.8
98.20779	2.1
98.21355	2.8
99.08094	3.1
105.07063	6.4
107.01338	2.3
107.04983	2.0
107.08597	11.1
109.02885	3.2
109.06527	4.4
109.10167	5.0
111.08088	2.7
113.09644	3.4
115.48903	1.6
119.08594	3.1
121.10169	3.9
123.04457	7.3
123.08073	1.9
123.11721	4.2
125.02381	3.2
125.09666	4.2
127.03896	8.1
131.08611	7.3
132.08951	2.5
133.10155	6.9
135.04398	2.1
135.08066	1.8
135.11694	2.6
136.24261	1.6
137.05966	2.6
143.03410	5.6
147.11717	2.9
149.09581	3.3
151.07529	2.2
151.11209	11.6
153.01839	100.0
153.02910	5.1
154.02179	1.7
161.05988	2.1
161.13245	3.2
163.03918	2.0
163.14861	4.1
165.05527	1.9
169.12239	2.6
171.02910	12.5
173.13289	3.6
191.14369	4.4
193.62065	1.4
197.08153	3.4
209.11731	5.6
209.15372	44.5
210.12091	3.6
227.16443	15.2
245.17508	1.7
271.05917	1.8
275.05423	1.6
297.06097	4.0
303.01465	1.6
315.07114	17.5
317.07040	1.4
554.73468	1.5
559.19818	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.2
55.01871	13.9
55.05512	43.0
57.03441	15.1
65.03945	5.9
67.05509	77.9
68.63165	2.0
69.03427	5.2
69.07074	35.0
71.05002	5.7
74.98305	1.9
77.03950	2.2
79.05055	4.7
79.05499	71.3
81.03423	66.6
81.05244	2.0
81.07061	93.2
83.04989	16.0
83.08626	30.4
85.02910	10.5
85.06536	4.0
91.05486	77.6
93.06476	2.8
93.07054	52.9
95.04971	37.0
95.08614	46.9
97.02906	3.3
97.06522	14.7
97.10163	15.9
98.21136	13.0
99.08091	5.9
103.05471	2.2
105.07042	62.7
107.04958	18.0
107.08598	37.5
109.06524	19.1
109.10162	17.6
111.04478	3.5
111.08074	14.9
115.05497	3.3
116.06285	3.2
117.07030	29.0
119.08587	52.4
121.06527	8.9
121.10149	28.5
123.08086	12.1
123.11727	9.3
125.06042	2.0
125.09646	11.0
128.06264	5.7
129.07031	23.3
130.07753	3.6
131.04948	3.5
131.08578	39.7
133.06506	9.0
133.10138	31.9
135.08098	7.0
135.11705	10.3
137.09581	3.7
141.07034	5.5
142.07809	6.3
143.08557	15.8
145.06520	5.4
145.10147	28.2
147.08098	8.5
147.11697	27.6
149.09628	14.2
149.13261	5.9
151.11249	5.9
153.09233	2.3
155.08600	7.8
156.09430	2.3
157.06567	3.6
157.10147	21.4
159.08112	5.3
159.11697	23.2
161.09668	5.5
161.13367	6.4
163.11185	9.7
165.12828	5.6
167.08578	4.1
169.10130	11.0
171.08118	3.1
171.11717	11.3
173.09674	6.4
173.13336	9.2
175.11205	13.7
177.12750	3.8
179.14388	3.5
181.10127	3.8
183.08130	2.2
183.11720	9.4
185.13358	6.1
187.11278	4.0
187.14841	4.4
189.11255	6.4
189.12735	2.4
193.12234	31.0
197.13313	4.6
199.14836	2.9
201.12811	2.8
205.12299	3.2
211.13240	24.9
216.42931	2.6
221.13341	2.6
227.12823	8.1
229.19627	3.5
229.54095	2.1
239.18088	3.7
247.20717	3.7
257.18994	21.7
267.15900	22.9
273.18585	4.0
275.20096	55.9
285.17007	2.4
287.20132	2.5
291.19598	3.5
293.21265	5.9
297.22070	5.2
299.20184	5.2
313.21796	2.6
315.23199	3.2
331.22763	5.6
349.23715	12.5
431.29346	4.6
449.30521	11.6
461.28922	4.8
467.31790	9.3
485.32709	9.5
523.34491	6.1
541.35333	46.7
559.36377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.3
53.03938	9.0
55.01883	15.0
55.05513	47.2
57.03448	14.3
57.07072	3.9
61.57065	2.0
63.24075	2.2
65.03934	5.4
67.05506	80.1
69.03423	6.0
69.07073	34.8
70.82751	5.4
70.83096	2.1
71.04993	8.3
77.03958	3.4
79.05495	78.4
81.03062	1.7
81.03419	63.2
81.07059	100.0
83.04987	14.2
83.08624	26.8
85.02917	16.0
85.06540	5.0
91.05482	94.5
93.07048	58.3
95.04978	32.8
95.08605	39.1
97.02878	2.8
97.06531	18.2
97.10172	19.7
97.90492	2.0
98.21216	4.4
99.08142	3.4
102.76556	2.4
105.07032	83.6
107.04961	17.9
107.08611	44.9
109.06520	19.6
109.10155	23.1
111.04459	2.5
111.08072	11.6
113.09644	2.6
115.05445	5.3
117.07018	30.0
119.08585	60.5
121.06509	8.6
121.10165	19.8
123.08068	8.3
123.11711	6.8
125.09622	12.7
128.06212	5.6
129.06998	20.4
130.07747	3.1
131.08569	41.8
133.06516	10.5
133.10129	42.1
135.08063	8.3
135.11729	11.4
137.09641	7.7
141.07021	7.1
142.07799	6.1
143.08528	12.0
145.06519	5.1
145.10143	34.4
147.08087	9.3
147.11688	33.7
149.09628	17.0
149.13271	3.9
151.11206	4.7
153.12733	2.7
155.08562	9.0
157.10149	23.2
159.08101	5.4
159.11673	19.0
161.09586	4.3
161.13293	7.8
163.11240	10.8
165.12785	8.0
167.08539	4.1
169.10187	10.4
171.08083	3.5
171.10379	2.9
171.11734	9.3
171.38638	2.5
173.09645	3.5
173.13283	8.6
175.11194	17.4
175.61206	2.8
177.12721	2.9
179.14371	6.0
181.10168	3.8
183.11708	6.7
185.13335	5.6
187.11293	4.6
187.13300	2.9
187.14862	4.3
189.11270	6.4
193.12244	38.0
195.11736	3.8
197.13268	4.6
201.12878	3.2
203.14343	2.5
211.13268	27.1
211.14922	2.7
227.12862	9.0
239.18037	6.0
247.20605	3.9
257.19012	21.4
267.15952	21.8
273.18558	3.6
275.20068	60.2
285.17014	4.9
291.19571	5.2
293.21133	5.1
297.22263	5.1
299.20145	6.3
307.78995	2.7
315.23257	4.9
317.21112	2.8
331.22681	4.8
347.22336	2.3
349.23700	13.6
355.22681	3.1
431.29465	6.2
449.30582	9.7
461.29172	3.8
467.31723	12.3
485.32416	6.4
523.34027	5.5
541.35272	47.6
542.35272	2.5
559.36267	97.8
560.36523	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	557.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	20.8
55.05514	33.6
57.03439	26.2
57.07079	57.8
67.05519	34.2
69.07066	18.1
71.08633	54.9
71.23357	6.5
71.57197	7.9
79.05495	25.7
80.35609	6.4
81.07054	38.6
83.04980	12.4
83.08611	15.8
83.15931	7.4
85.10182	22.1
87.04463	15.0
89.06039	100.0
90.06369	16.0
91.05492	16.9
93.07043	25.7
95.04964	14.9
95.08602	24.8
97.10166	19.1
105.07056	20.0
107.08605	19.4
108.97373	8.4
109.10152	20.0
116.04702	10.5
117.07063	8.9
119.08530	15.1
121.10120	12.7
123.11704	6.8
125.09624	9.6
129.05472	29.8
129.06918	9.4
133.08621	38.1
133.10143	8.3
134.08926	11.5
135.08003	7.6
135.11673	6.4
147.11659	7.0
157.08449	11.8
157.10130	8.2
161.13394	7.6
171.06442	7.5
186.29413	6.2
188.25696	6.7
189.11147	11.7
197.89885	7.1
226.01547	7.4
227.12787	16.0
239.23779	9.5
301.16397	75.2
301.58829	7.7
306.97006	6.5
313.27435	67.8
467.37567	10.5
539.39532	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01859	3.0
55.05514	21.2
57.03432	6.7
57.07070	1.7
65.03912	2.1
66.62560	1.5
67.05508	37.8
69.07071	15.5
69.94952	7.2
71.04990	4.4
79.05495	32.2
81.03436	5.0
81.07061	40.1
81.07519	2.9
83.05000	3.5
83.08619	9.5
85.06534	3.5
91.05479	36.3
91.05999	2.2
93.07043	42.5
95.04966	8.7
95.08608	29.3
97.06535	4.7
97.10168	5.0
105.07037	36.2
107.04979	5.0
107.08617	19.0
109.01579	1.7
109.06504	3.5
109.10159	10.7
111.08097	2.7
115.05481	3.1
117.07022	22.7
119.08573	28.3
121.06493	2.0
121.10148	13.9
123.08084	3.0
123.11726	3.0
128.06218	3.8
129.07014	21.6
131.08574	26.5
131.09518	2.1
133.06406	1.7
133.10135	17.7
135.08084	2.8
135.11708	7.1
137.09624	1.9
141.06960	10.5
142.07861	3.9
143.08562	25.8
145.06561	3.1
145.10123	25.9
147.11678	16.8
149.09663	2.0
149.13284	4.1
151.11240	2.3
154.07765	2.3
155.08559	18.2
156.09402	2.9
157.10136	24.0
159.08043	2.1
159.11710	18.4
161.09683	2.5
161.13242	11.4
163.11261	3.8
165.06941	2.7
166.07855	1.8
167.08607	8.7
168.09305	3.7
169.10133	20.7
171.11682	24.9
173.09700	1.6
173.13261	13.8
175.11185	2.1
175.14882	4.5
177.12753	1.9
179.08618	3.3
180.09416	2.3
181.10118	12.3
183.11696	22.1
185.09715	1.9
185.13251	16.8
187.11255	2.2
187.14847	3.7
189.12741	3.8
193.10220	4.0
195.11714	11.7
197.13274	13.8
199.11134	2.2
199.14789	9.9
201.16367	2.1
207.11719	4.9
207.13873	4.3
209.13274	10.6
211.14882	9.3
213.12793	1.9
213.16383	9.7
221.13245	3.3
223.14905	5.8
225.16452	4.8
227.17999	2.0
229.16063	2.0
231.21227	1.7
235.14804	3.4
237.16475	5.4
239.17972	2.0
241.19594	5.5
247.17009	3.0
259.20645	13.8
261.22232	2.3
279.16068	4.5
281.17450	10.5
285.22409	2.3
287.20093	1.8
295.20508	1.8
297.22333	2.1
307.20605	2.9
311.20322	2.9
321.22073	3.0
323.23807	4.7
333.24380	6.1
335.23801	2.9
341.24701	2.7
349.25650	2.0
349.54645	2.0
353.24899	2.9
367.26450	2.7
419.33246	4.0
429.31744	4.1
435.32635	2.9
437.34189	12.6
447.32700	28.8
455.35138	3.2
465.33694	29.3
483.34750	17.9
493.37659	1.8
501.35831	3.5
503.35184	2.0
521.36157	11.4
527.37390	2.2
529.39050	6.7
539.37347	100.0
540.37964	3.5
554.17682	1.7
557.38458	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03953	6.7
53.08244	1.3
55.01863	6.3
55.05264	1.7
55.05513	29.8
56.99445	1.3
57.03429	9.7
57.07073	3.5
65.03938	4.2
67.05506	54.8
69.03423	3.5
69.07074	22.2
69.87486	7.7
71.04988	4.4
79.05492	51.5
81.03427	8.1
81.07058	51.6
81.07497	0.9
83.04975	6.4
83.08624	11.4
85.06544	2.8
91.05479	49.8
93.06458	3.0
93.07043	48.2
95.01326	1.5
95.04977	9.4
95.08607	41.4
97.06528	8.3
97.10156	6.6
98.20947	3.9
98.21561	2.3
103.05457	2.2
105.07027	42.6
107.04963	6.8
107.08600	27.8
109.06519	5.7
109.10156	16.6
111.08097	3.3
115.05479	2.8
117.07010	23.6
119.07782	2.3
119.08590	32.1
121.06496	6.1
121.10159	16.8
123.08045	4.8
123.11711	3.4
125.09630	4.2
128.06200	6.5
129.07011	23.5
130.07767	3.4
131.08574	35.4
133.06462	2.4
133.10138	29.6
135.08044	3.3
135.11702	13.9
137.09596	2.5
141.06999	9.3
141.45532	1.6
142.07762	7.0
143.08551	27.3
144.09338	2.8
145.06488	4.4
145.10130	37.2
147.08032	3.4
147.11700	21.8
149.09618	3.1
149.13277	4.1
151.07597	1.7
151.11189	1.5
151.28906	1.5
153.06985	1.6
153.09087	1.6
155.07268	2.2
155.08553	21.3
156.09290	4.2
157.06509	1.9
157.10135	24.0
159.08052	4.2
159.11702	21.8
161.09615	5.4
161.13271	10.5
163.11172	9.5
163.14804	1.7
165.07013	2.4
167.08609	7.4
168.09348	3.8
169.10112	22.2
170.10867	2.2
171.08131	2.2
171.11711	25.7
173.09688	1.8
173.13287	12.9
175.11169	3.3
175.14833	4.5
175.90649	1.5
177.12755	2.3
179.08563	3.0
179.14255	2.4
180.09296	2.2
181.04958	1.8
181.10164	15.6
182.10884	2.9
183.11676	17.9
185.09590	1.4
185.13283	17.7
187.11205	4.2
187.14854	6.0
189.12769	5.1
191.08496	1.8
193.10115	4.8
194.79845	1.4
195.11714	12.3
197.09589	2.4
197.13254	13.4
199.14784	8.4
201.12683	2.7
201.16313	3.1
207.11714	5.0
207.13770	4.2
207.73666	1.4
209.13232	10.1
211.14743	10.3
213.12811	1.5
213.16365	11.0
215.17703	2.2
219.11703	2.1
221.13258	3.9
222.17867	1.4
223.14911	7.5
225.16411	4.0
227.12794	4.8
227.18028	1.8
231.21095	2.1
235.14865	2.7
237.16316	6.6
239.17905	4.1
241.16087	1.6
241.19504	6.0
247.16925	3.5
249.16414	1.6
251.18065	2.4
257.18982	5.4
259.20554	11.4
261.22177	2.2
271.20660	1.5
273.18472	2.2
275.20236	9.9
279.15903	5.6
281.17422	7.7
287.20291	2.3
299.23718	2.1
309.22333	2.0
311.19876	1.6
311.23520	2.2
313.21738	2.2
315.23206	1.8
321.21939	1.8
323.23682	4.3
325.21533	1.7
325.25372	1.8
333.24164	4.8
335.23843	2.3
337.25162	2.2
339.23193	7.6
341.24536	2.4
351.23053	2.4
353.25006	2.9
357.24182	1.6
367.22552	2.4
385.23398	2.5
403.24872	10.7
419.33145	2.7
429.31635	5.0
437.34113	12.0
438.11612	1.9
447.32675	24.4
465.33734	28.4
483.34796	16.8
501.36005	2.6
503.34882	4.3
511.38177	1.7
521.36462	7.6
527.37115	4.0
529.39069	8.4
539.37384	100.0
540.37622	2.8
557.38702	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.3
53.03942	6.6
55.01872	5.6
55.05512	27.3
57.03444	8.9
57.07072	5.2
61.85501	1.9
65.03920	3.6
67.05506	55.7
69.03432	1.6
69.07071	23.0
69.43767	11.2
69.44178	3.7
71.04992	4.7
71.08622	2.8
72.83981	1.8
79.05493	47.8
79.05960	2.6
81.03419	12.4
81.07060	60.6
83.04993	8.6
83.08619	13.4
85.06565	4.0
85.10194	2.6
91.05483	57.1
93.07044	48.7
95.04962	16.4
95.08603	41.0
97.06545	5.6
97.10172	5.0
98.04772	2.0
98.21101	7.8
105.04561	2.5
105.07031	45.3
107.04979	10.4
107.08600	27.1
109.06534	6.0
109.10177	15.4
111.08131	2.4
115.05428	3.8
117.07016	25.0
119.08582	36.7
121.04866	1.6
121.06535	4.2
121.10149	19.6
123.08074	5.3
123.11741	2.8
125.09631	2.4
127.07427	1.8
128.06236	7.8
129.07024	22.3
129.32719	1.6
130.07748	1.9
131.08566	33.3
133.06494	3.0
133.10141	25.1
135.08083	5.7
135.11710	13.5
137.09647	3.4
139.11172	1.9
141.07010	9.1
142.07771	5.1
143.08571	26.5
145.06494	4.1
145.10115	34.2
147.08057	3.5
147.11690	19.8
149.09633	4.4
149.13266	6.8
151.11206	3.2
154.07664	2.8
155.07178	3.0
155.08543	21.8
156.09337	3.1
157.10146	25.8
159.08044	3.3
159.11684	23.5
161.09679	2.6
161.13248	14.1
163.11212	5.3
165.12665	2.6
167.08604	8.8
168.09351	2.6
169.10104	20.4
170.11003	2.4
171.08067	3.4
171.11687	23.3
173.09711	3.3
173.13274	14.0
175.11264	3.4
175.14841	4.1
177.12779	3.6
179.08617	3.7
179.14317	6.7
181.10150	9.3
182.10843	2.3
183.11717	16.8
185.09610	1.9
185.13237	15.6
187.11232	6.2
187.14830	7.1
189.12712	4.7
191.10779	2.4
193.10164	4.1
195.11655	12.8
197.13257	13.0
199.11230	2.3
199.14771	9.5
201.12863	2.0
201.16440	2.7
207.11668	5.1
207.13753	4.4
209.11595	2.1
209.13303	7.7
211.14804	10.4
213.16389	9.7
221.13338	4.3
223.14894	4.9
225.16498	3.4
231.17525	3.4
233.13338	4.0
235.14854	3.1
237.16438	4.6
241.19487	7.6
245.13396	2.2
249.18637	2.5
255.17245	3.0
257.19031	3.5
259.20508	12.8
261.22110	3.2
275.20093	3.4
279.15784	4.3
281.17334	9.0
283.20279	1.9
289.21747	2.2
291.23236	2.2
297.18405	2.0
297.22141	2.1
311.23642	3.0
313.21878	2.7
321.21960	2.8
323.23730	2.4
327.23395	2.7
333.24313	7.3
335.23450	3.0
339.23019	2.5
353.24548	2.1
379.26523	2.4
390.47873	1.7
391.26645	2.3
398.22467	1.7
403.24893	2.2
419.33096	2.7
429.31552	3.7
437.34363	11.1
447.32681	25.9
465.33865	25.7
471.03146	2.1
483.34900	18.5
521.36066	11.2
527.37305	4.2
529.39160	9.9
539.37372	100.0
540.37891	2.3
557.38904	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.7
52.32161	1.2
53.03952	9.4
55.01873	21.8
55.05258	2.3
55.05512	34.7
57.03429	6.0
59.04980	3.2
63.10297	1.3
65.03941	2.7
67.05508	58.7
69.03413	4.1
69.06716	2.4
69.07070	40.1
69.07452	2.1
69.76060	5.5
69.76460	2.4
71.01334	1.5
71.05011	6.5
77.03947	1.4
79.05497	57.2
81.03419	21.9
81.07061	75.0
83.01343	8.3
83.04985	18.0
83.08617	16.2
85.02909	3.2
85.06518	3.4
91.05484	80.6
93.07049	56.9
95.01330	14.8
95.04975	20.4
95.08609	46.5
97.02877	4.5
97.06540	31.3
97.10176	6.8
98.20882	3.0
98.21468	2.2
99.04473	2.5
103.05476	5.3
105.04541	1.5
105.07034	94.4
107.04956	30.1
107.08595	29.6
109.06549	8.8
109.10180	9.5
111.04456	3.2
111.08081	5.9
112.95959	1.2
113.09604	1.7
115.05476	4.3
117.07027	27.4
119.08588	50.9
121.06537	4.8
121.10135	14.9
123.04443	5.7
123.08083	9.5
123.11699	1.7
125.06020	2.9
125.09663	4.0
128.06210	2.8
129.07007	7.8
130.07761	3.2
131.04913	2.1
131.08572	29.1
133.06516	1.9
133.10135	51.2
135.08110	7.5
135.09015	1.4
135.11691	12.9
137.05981	1.6
137.09657	3.8
137.90425	1.2
139.07571	1.8
141.07010	3.5
143.08597	6.9
145.06427	3.6
145.10117	32.8
147.08049	2.4
147.11687	22.2
149.09621	9.6
149.13300	4.3
151.11284	3.0
153.12698	2.4
155.08574	4.2
157.10135	5.9
159.08054	2.5
159.11696	16.3
161.09686	1.9
161.13225	6.9
163.11198	21.9
163.14836	1.6
165.09138	3.1
169.10118	4.1
171.11726	3.9
173.09641	3.8
173.13264	4.4
177.12820	5.2
179.14317	22.9
181.04871	1.4
181.12274	3.5
183.11787	4.2
185.13286	2.8
187.11176	5.3
189.12755	1.3
193.12234	1.4
197.13272	3.5
199.14897	1.5
201.12788	2.0
205.12335	2.1
209.11742	4.2
215.17995	1.8
215.80814	1.3
216.64101	1.3
227.12849	4.1
229.19659	1.5
239.18089	3.2
243.65483	1.3
243.82025	1.6
247.20589	3.7
257.18979	10.1
271.16953	1.5
275.20074	100.0
283.15338	2.2
289.18063	1.8
293.21039	6.7
331.22858	2.0
349.23727	3.9
443.99182	1.5
539.33960	2.0
557.34753	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	557.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03938	1.8
54.69918	1.2
55.05511	1.7
55.51994	1.2
67.05486	1.5
67.77467	1.1
69.03431	6.5
69.07086	1.1
71.04984	1.9
71.56288	1.3
79.01851	2.8
79.05499	1.3
81.03421	8.0
81.07049	4.4
83.04968	2.0
85.02897	4.4
85.06534	2.4
91.05464	2.0
93.07046	3.8
95.04966	4.0
95.08582	3.9
97.02892	4.7
97.06552	7.8
99.04445	1.9
99.08083	1.9
105.07029	3.8
107.01276	1.5
107.08589	4.9
109.02856	5.4
109.06522	2.5
109.10178	2.2
111.08077	1.4
113.03487	1.5
119.08525	2.6
121.10143	3.0
123.08062	1.5
123.11713	2.2
125.02380	3.4
125.09624	8.3
127.03915	7.1
131.08517	1.4
133.10144	1.8
135.08087	4.2
135.11705	1.8
137.05989	2.2
143.03398	5.2
145.04988	1.6
147.11682	1.8
149.09627	4.5
151.07559	1.6
153.01836	100.0
153.02881	4.1
159.11700	1.9
159.53949	1.2
161.05887	1.8
161.09671	1.6
161.13245	1.8
163.11169	1.4
165.09125	4.0
165.12740	1.4
167.10696	2.8
171.02898	14.4
177.12704	1.5
179.07054	1.5
195.13658	1.3
207.10355	1.2
207.13847	7.1
225.14873	24.7
225.36758	1.1
229.11838	2.2
237.18353	1.5
243.15941	18.2
297.06207	6.4
315.07132	15.5
331.15652	1.4
552.98804	1.2
557.20239	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	557.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01865	8.8
55.05253	1.9
55.05515	26.0
57.03438	5.0
59.00758	1.3
59.04998	1.5
65.03924	2.8
67.05508	44.0
69.03419	7.8
69.07071	17.9
71.04995	3.3
72.15001	1.1
79.05496	42.2
81.03419	41.2
81.06576	2.0
81.07063	40.4
83.04977	7.4
83.08627	16.9
83.90631	1.4
85.02887	2.1
85.06519	2.0
91.05483	42.6
93.07053	29.8
95.04974	21.2
95.08617	18.5
97.02905	5.9
97.06528	6.5
97.10184	12.3
98.20819	4.7
98.21500	2.7
103.05489	2.0
105.04540	1.5
105.07033	31.5
107.04970	13.1
107.08601	20.3
109.06535	8.8
109.10166	14.4
111.04395	1.7
111.08097	4.2
115.05465	3.4
116.10688	1.4
117.07030	15.7
119.04959	2.1
119.08596	22.0
121.06509	8.7
121.10143	8.7
123.08083	5.4
123.11732	2.6
125.09650	11.0
128.06247	4.5
129.07021	13.0
130.07785	2.0
131.08591	19.1
133.06519	5.7
133.10138	17.0
135.08031	7.6
135.11700	7.1
137.09651	4.6
141.07028	2.9
142.07779	2.7
143.08588	8.0
145.06522	5.2
145.10129	18.5
147.04492	1.3
147.08040	7.1
147.11707	8.8
149.09618	7.3
149.13290	2.1
151.11212	4.3
153.09148	1.7
155.08607	3.5
157.06422	1.5
157.10144	10.5
159.08113	4.6
159.11652	7.2
161.09659	4.8
161.13316	3.0
163.11209	7.4
167.08545	2.1
169.10175	5.2
171.08075	3.0
171.11729	4.5
173.09695	3.6
173.11931	1.5
173.13316	2.4
175.11162	6.7
177.12689	1.3
179.14394	1.6
180.91373	1.3
181.10172	1.7
183.11717	2.9
185.09673	1.9
185.13327	3.2
187.11224	2.3
187.14845	2.0
189.11250	7.3
189.12711	1.4
191.14285	1.4
193.12209	11.5
197.13266	2.1
199.11174	2.0
201.12875	1.7
205.12280	3.6
209.11700	1.6
215.14494	1.4
219.13872	3.6
223.13211	6.7
227.12691	7.5
227.17972	1.6
239.17973	2.0
245.19093	1.9
249.14980	2.7
253.14415	4.7
255.17696	2.0
257.19110	4.5
267.15991	4.2
273.18500	16.0
275.20102	10.8
287.20160	4.3
291.19559	39.6
295.20633	2.2
313.21539	8.1
329.21182	1.3
347.22247	2.7
371.22220	1.5
445.26022	3.6
447.29031	3.9
465.29980	7.8
483.31161	6.2
539.33655	20.8
550.68604	1.4
557.34778	100.0
558.34985	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01873	10.6
55.05513	29.7
57.03428	6.2
57.07038	1.8
65.03947	3.6
67.05510	46.6
67.18621	1.4
69.03429	5.8
69.03770	1.2
69.07071	25.3
71.04988	5.3
74.66563	1.3
77.03964	2.0
79.05494	47.6
81.03417	38.4
81.07059	48.8
83.04987	11.8
83.08618	17.6
85.02908	2.3
85.06557	3.1
91.05482	40.6
93.07052	34.4
95.01344	1.4
95.04975	22.5
95.08609	21.7
97.02892	7.2
97.06509	7.3
97.10155	11.7
98.21124	8.6
99.08138	1.4
103.05466	2.4
105.04514	1.4
105.07036	35.4
107.04952	15.6
107.08598	22.8
109.02876	1.6
109.06523	7.9
109.10152	13.4
111.08085	4.8
115.05486	2.5
117.07003	14.4
119.08598	24.1
121.06504	10.9
121.10157	10.4
123.08089	5.3
123.11726	2.5
125.09641	11.0
128.06221	4.0
129.07022	12.4
131.08586	21.2
133.06514	4.9
133.10138	21.8
135.08092	6.4
135.11690	4.9
137.09644	5.4
141.07071	2.7
142.07780	2.9
143.08565	13.4
144.05797	1.4
145.06538	5.4
145.10130	16.3
147.08029	8.5
147.11671	10.8
149.09659	6.8
149.13223	2.1
150.99185	1.7
151.11198	4.3
155.08574	4.1
157.10141	11.0
159.08090	4.1
159.11725	8.5
161.09683	6.8
161.13347	2.6
163.11182	6.9
165.12793	2.3
167.08565	3.1
169.10109	3.3
171.08020	2.0
171.11711	5.6
173.09700	3.3
173.11885	1.5
173.13278	2.5
175.11224	9.0
177.12840	1.9
179.14424	2.1
181.10172	4.2
183.11761	2.8
185.09663	3.0
185.13260	3.6
187.11235	2.1
189.11198	7.1
193.12231	11.1
195.11891	1.3
197.13327	2.6
199.11240	2.2
201.12825	2.5
205.12276	3.2
211.11305	1.5
219.13849	7.7
223.13289	7.2
227.12761	10.0
245.18935	2.6
247.92632	1.4
249.14792	2.7
253.14485	5.3
257.19061	4.2
267.16022	4.1
273.18494	17.4
275.20102	8.6
287.20145	3.4
289.18008	1.9
291.19571	44.7
291.22809	2.7
295.20615	2.0
311.19839	1.9
313.21555	6.7
335.72433	1.5
339.19629	1.8
347.22113	4.4
365.23526	1.4
371.22290	1.7
389.23016	1.8
429.28012	1.8
445.25620	1.9
447.29041	2.1
465.30148	8.1
483.31458	4.3
539.33594	19.9
557.34778	100.0
558.34924	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	555.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03945	11.3
55.01617	2.0
55.01874	31.3
55.05514	26.2
56.09698	1.0
57.03432	3.1
57.07080	7.0
59.04995	2.6
65.03941	4.7
66.32899	1.0
67.05508	72.0
69.03422	2.7
69.07072	38.1
69.98991	5.1
71.04984	3.3
71.08624	3.5
73.86872	1.0
77.03924	1.8
79.05495	73.0
81.03425	15.4
81.07059	73.7
82.07369	1.2
83.04984	16.4
83.08617	11.5
85.06524	3.1
91.05485	94.1
93.07051	60.3
95.01329	12.2
95.04971	26.6
95.08610	48.1
95.09225	1.5
97.02910	1.6
97.06535	54.6
97.10170	4.4
98.21032	2.3
98.98486	9.6
99.08105	1.4
103.05473	3.3
105.04512	2.5
105.07031	91.4
107.04961	27.2
107.08596	26.5
109.06518	7.4
109.10135	10.3
111.08095	3.9
113.09665	2.0
115.05450	2.5
117.07026	19.7
119.08587	46.6
121.06515	4.0
121.10130	10.2
123.04439	2.7
123.08079	7.9
123.11736	2.1
125.09656	3.4
128.06261	3.1
129.07008	14.7
130.07768	1.7
131.08574	26.0
133.06561	2.5
133.10135	42.9
135.08063	4.0
135.11717	7.3
137.09653	4.5
137.13295	1.3
139.07532	2.4
141.07011	3.1
143.08568	9.9
145.06480	4.3
145.10120	21.9
147.08057	3.3
147.11690	33.0
149.09608	10.2
149.13318	3.8
151.11232	2.2
155.01057	12.9
155.08600	2.3
157.10138	3.5
159.08052	2.1
159.11710	13.1
161.09624	3.3
161.13266	14.6
163.11182	6.6
165.09151	3.0
169.10118	4.4
170.87759	1.1
171.11714	18.1
173.13293	4.8
175.11206	2.0
177.12717	7.1
179.14297	20.1
183.11731	3.0
185.13304	2.0
187.11220	4.8
189.12740	6.4
191.14217	1.3
195.13779	1.4
197.13200	1.7
205.12350	1.3
207.13823	11.0
215.00128	1.2
215.18074	1.3
219.13907	1.1
223.13327	1.5
229.19496	3.8
239.18007	2.7
239.23775	1.2
247.20662	4.5
257.18967	7.9
259.20618	4.2
263.16479	1.3
275.20062	100.0
279.15939	8.3
293.21121	9.7
313.27368	9.6
317.06381	1.3
349.23807	4.0
393.79031	1.2
463.32410	1.3
537.35663	1.7
555.36847	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90302	0.6
53.03944	1.2
55.01865	2.8
57.03440	5.4
59.04989	0.7
61.02925	4.4
65.03938	2.1
67.05512	0.8
69.03435	9.9
71.01342	0.8
71.05019	0.7
73.02922	19.5
79.05486	1.1
81.03416	2.6
81.07069	1.7
83.04967	0.9
85.02911	20.8
87.04498	1.4
91.05488	100.0
93.07035	1.2
95.04963	0.9
95.08590	1.0
97.02898	17.2
99.04472	1.9
100.11272	0.9
105.07034	1.9
107.04967	0.7
107.08663	1.5
109.02885	2.2
109.10195	0.7
110.07101	0.7
111.04472	0.7
114.09174	2.3
115.03942	8.1
119.08643	0.8
121.02830	0.6
123.04446	0.9
127.03938	7.3
131.08620	0.9
133.04985	7.9
133.06544	0.9
133.10219	0.9
137.02361	0.7
137.06009	1.4
145.04958	9.5
151.07594	0.7
153.01811	1.3
154.02255	0.7
161.09637	1.5
163.06036	2.2
167.03358	0.8
167.07123	1.7
168.07413	0.8
181.05037	0.9
223.06070	1.2
241.07045	1.7
245.08127	4.6
259.08246	0.9
269.50458	0.7
293.29587	0.6
297.25769	0.8
452.36255	0.7
556.30066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65251	3.1
67.05502	5.1
69.03426	6.7
71.56619	4.3
73.02911	3.0
79.05501	3.6
81.03410	6.7
81.07079	6.2
85.02887	8.4
91.05488	4.8
93.07029	4.5
95.08604	15.0
97.02871	6.0
105.07027	6.4
107.08577	3.1
109.02915	6.2
119.08566	7.3
123.08130	4.2
125.02328	3.3
127.03924	9.0
135.11696	3.9
149.09634	9.6
151.07402	3.3
153.01842	100.0
171.02890	18.0
189.12730	6.5
207.13858	20.8
262.43933	3.4
297.06186	7.9
315.07086	24.0
395.42996	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	557.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.3
57.03421	1.9
58.36985	1.1
58.99853	1.6
61.02923	1.2
69.03440	7.6
69.88283	3.4
70.06577	1.2
73.02904	2.8
77.00902	2.9
79.01891	1.0
81.03418	3.5
82.99417	0.9
82.99886	3.3
84.95990	1.4
85.02906	13.5
94.99845	1.1
97.02892	6.8
98.21113	1.8
98.97568	4.5
99.29343	0.9
101.00876	21.7
103.02415	1.2
105.00419	1.6
109.01368	2.3
109.02881	4.9
113.00878	3.8
115.02378	1.1
115.03894	2.6
116.98589	3.9
117.03998	3.0
119.01923	75.2
121.03510	1.2
123.04556	0.9
127.02409	9.2
127.03906	6.7
128.98601	2.1
129.03987	2.5
131.00307	1.4
131.01910	28.7
132.02071	0.9
133.03461	3.9
135.05019	2.8
137.02969	11.6
139.02406	2.0
139.03908	1.4
141.03978	4.4
142.03491	1.9
143.01900	37.3
144.02112	1.3
145.03467	66.1
146.45720	1.0
146.99599	1.7
147.01349	2.8
147.05013	3.4
149.03029	5.0
151.04463	1.2
153.01820	14.1
153.02946	1.3
153.03941	2.2
154.02182	1.9
155.01901	26.0
157.03487	14.5
158.99660	2.2
159.05032	22.3
161.02960	52.4
162.03055	1.7
163.04544	17.8
167.01901	12.7
167.05600	0.9
167.06985	1.8
168.05083	2.2
169.03467	52.8
171.01424	4.2
171.05029	17.1
173.02968	42.9
173.06648	1.9
175.03096	0.9
175.04465	5.2
177.00659	1.7
177.06059	2.7
179.01892	5.5
181.03467	9.1
182.03537	1.0
183.05023	5.3
184.04652	1.7
185.02965	62.2
185.06494	1.9
186.03203	1.1
187.04523	92.2
188.04535	1.5
189.00711	3.2
189.02429	15.0
189.06116	4.9
191.02121	1.1
191.03993	3.6
193.03413	1.1
195.05029	1.8
196.04420	1.2
197.02939	20.4
199.04529	16.6
201.02367	2.1
201.06018	6.2
203.04021	25.2
205.03719	1.3
205.05571	1.2
207.01572	1.2
207.03429	2.8
208.04605	1.2
209.02849	1.7
210.06085	4.1
211.04558	16.7
213.02455	18.3
213.06044	4.6
215.00395	2.8
215.03999	12.5
217.05579	3.2
219.01746	2.3
219.07204	1.5
221.05066	11.5
222.05891	1.3
223.04550	5.0
224.04282	1.9
225.02455	4.8
225.06001	1.5
227.04022	11.2
229.05594	8.1
231.01331	2.2
231.03493	33.7
231.07138	1.7
233.01431	2.3
233.05032	1.4
237.02678	5.7
239.03984	2.3
239.06157	4.2
241.05664	2.0
243.03465	4.6
245.05075	100.0
246.05153	5.7
247.04904	2.0
248.06284	1.3
251.02548	1.6
253.05640	1.9
254.05219	1.3
255.03548	2.0
257.01404	8.4
257.05005	6.2
259.02673	1.2
261.02460	2.1
261.04807	1.7
261.08304	2.2
263.06100	16.9
267.03552	1.6
269.01419	1.2
271.06635	16.5
272.06503	1.4
273.04425	2.7
275.02463	71.6
275.06064	27.5
275.08887	1.7
276.02539	1.2
277.03366	3.4
281.06842	1.3
285.00024	1.7
286.07474	1.9
287.02542	25.1
287.05984	3.4
287.08862	1.5
289.07632	4.1
291.05661	2.1
291.09271	1.6
293.03522	21.4
293.07104	5.4
295.03360	1.0
295.06973	1.9
296.06454	2.5
297.04556	3.8
299.02332	1.2
303.01382	11.1
304.01566	1.9
305.03503	20.9
305.07132	14.3
315.05695	6.8
316.04846	1.3
316.08685	1.2
317.03436	3.5
321.10327	2.1
323.10040	1.8
333.06665	4.1
335.04620	24.9
335.08179	3.9
341.03488	5.4
347.11908	1.5
351.11307	3.5
359.04596	24.3
365.09286	9.4
366.09241	1.2
377.05621	52.5
383.10205	1.8
386.09113	1.1
395.06720	74.8
395.14438	2.1
396.07355	1.6
403.01584	1.4
521.09570	1.3
539.10815	10.2
557.11896	26.4
557.19495	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	555.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01879	1.7
55.05514	7.6
57.03446	6.9
57.07079	27.7
63.82646	0.7
65.03927	1.2
67.05168	1.3
67.05507	18.8
69.03424	1.0
69.07068	7.5
69.45866	5.0
70.92110	0.7
71.05005	0.8
71.08634	19.8
79.05495	13.0
81.03426	7.4
81.07063	18.4
83.04975	2.7
83.08623	10.5
85.10187	13.0
91.05481	11.1
93.01920	0.7
93.07056	9.1
95.04948	2.6
95.08610	21.4
97.06543	1.6
97.10181	5.4
98.20794	1.8
98.21442	1.7
98.98471	82.4
99.04466	1.3
99.11745	1.2
105.07024	8.0
107.04945	1.9
107.08595	6.2
109.02888	6.5
109.06478	1.0
109.10167	11.1
111.08074	0.9
111.11720	1.1
116.99529	1.7
117.07024	2.5
119.08572	5.1
121.10141	3.4
123.08071	0.7
123.11731	3.6
125.09621	1.1
125.13242	0.9
127.03918	1.4
129.07011	1.6
131.08612	2.2
133.10173	4.5
135.08066	1.1
135.11772	1.0
137.13257	1.9
140.01007	0.8
143.08551	2.0
145.10126	2.1
147.11687	3.4
149.09615	2.8
155.01045	100.0
159.11661	2.0
161.09650	0.8
161.13266	1.4
163.11179	0.7
165.16373	0.7
171.11719	2.5
189.12770	1.1
207.13905	1.1
211.14941	1.1
221.22629	1.0
239.23737	10.0
243.02678	1.3
257.18967	1.7
275.20084	8.2
313.27368	67.1
317.06335	7.3
393.23907	6.4
401.28973	4.5
537.28088	2.4
555.37305	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	551.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01823	0.9
53.03943	2.9
54.88054	0.9
55.01873	1.5
55.05515	14.5
57.03446	6.4
57.07079	34.4
63.03993	0.9
65.03949	1.2
67.05507	22.4
69.02423	1.1
69.03422	1.4
69.07074	10.1
69.64336	1.9
69.64744	5.4
71.04989	3.9
71.08634	24.5
79.05497	15.3
81.03423	36.2
81.07061	33.0
83.04987	7.2
83.08630	18.7
85.02905	17.4
85.03367	1.6
85.06557	1.4
85.10184	14.5
91.05490	18.9
93.07050	10.7
95.04975	16.0
95.08617	23.1
97.02899	2.2
97.06559	1.7
97.10182	10.2
98.20867	1.9
98.21409	1.4
99.08121	1.0
99.11761	0.9
105.07037	14.1
106.68000	1.0
107.04960	4.1
107.08611	5.3
109.06526	3.1
109.10156	12.6
111.04426	1.5
111.08071	8.8
111.11748	2.9
113.06041	2.4
113.13341	1.1
117.07021	1.1
119.08582	11.0
121.06606	1.0
121.10175	4.8
123.08076	2.0
123.11723	5.5
129.06995	5.8
131.08586	5.2
133.06483	1.8
133.10130	4.8
137.09657	1.6
137.13290	1.8
142.07806	2.1
145.10179	1.1
147.08138	1.6
147.11703	7.6
147.66759	1.0
149.09630	2.6
151.14763	1.3
157.10144	8.1
165.12822	1.7
175.11201	9.1
193.12251	41.5
211.13322	42.3
249.14986	1.8
267.15973	5.8
267.26913	3.2
341.30502	5.9
383.79904	1.0
486.46506	1.0
499.49875	1.1
533.42145	3.0
551.43091	100.0
552.43573	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.0
57.03434	20.3
57.07073	52.4
66.45888	7.0
67.05502	37.0
69.07059	26.5
71.08624	38.0
71.57436	9.2
71.57792	9.6
79.05494	24.1
81.03421	100.0
81.07068	56.9
83.08599	27.6
85.06584	9.2
85.10175	13.5
91.05489	33.9
93.07038	17.3
95.04965	19.1
95.08629	43.1
97.10160	10.5
105.07030	17.5
107.04910	9.0
107.08562	15.4
109.10166	20.4
111.08115	8.7
115.05386	10.0
123.11703	9.7
128.85480	9.8
129.07010	17.5
131.08560	13.1
157.10155	19.6
175.11172	17.1
183.53522	8.6
193.12242	53.3
222.53018	8.0
267.15866	98.8
324.58826	10.6
341.30499	87.0
428.27939	8.7
533.42175	62.2
551.42480	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	553.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84795	2.5
67.04478	2.2
69.03439	2.5
71.56606	3.9
119.01900	4.3
127.32027	2.2
131.40912	2.4
131.69514	2.3
145.03476	3.6
164.94092	2.7
166.30869	2.4
173.03014	5.0
185.03017	5.2
221.05112	2.7
241.90833	2.4
245.05135	13.2
270.99124	2.7
271.04224	3.4
277.03506	3.8
303.01282	12.2
391.07742	4.7
438.32037	2.4
553.11774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17310	1.3
56.78997	1.2
65.71156	1.5
69.31207	13.6
97.67048	1.6
98.21114	7.0
103.95520	1.2
108.57060	1.7
146.81631	1.4
153.09122	1.3
157.03439	1.5
185.03072	1.8
210.94191	1.6
245.05127	5.0
260.02383	1.4
266.36151	1.6
303.01410	4.7
373.06720	2.0
532.82892	1.5
553.11688	100.0
554.11835	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	555.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20520	1.0
53.03943	2.4
53.90028	1.0
55.01851	1.5
57.03440	1.9
57.46600	1.2
60.50383	1.0
67.05510	2.3
69.03416	6.1
69.07087	2.0
70.03971	5.5
71.04984	1.7
72.08163	1.5
79.01863	4.1
79.05500	3.3
81.03423	4.6
81.07033	1.9
83.04972	2.3
85.02895	5.5
86.09709	1.5
87.04486	1.2
91.05486	2.2
93.07052	3.5
95.04964	2.0
95.08624	2.4
97.02903	5.6
98.20838	2.0
98.21381	1.6
99.04446	4.0
105.07045	3.6
107.01318	1.6
107.08589	4.8
109.02911	5.7
109.06534	2.5
109.10165	2.0
119.08565	2.9
121.10145	2.9
123.08073	3.8
123.11697	1.4
125.02358	2.9
127.03905	7.5
133.10110	1.8
135.08061	5.0
137.05984	1.6
137.09625	3.5
138.05525	1.2
143.03401	5.8
145.10240	1.5
147.04401	1.2
153.01831	100.0
153.09042	6.4
161.09605	1.3
163.07660	1.6
165.09079	1.5
171.02881	12.4
179.10674	5.3
181.08554	2.3
181.12242	2.0
188.66472	1.1
191.35008	1.3
205.12257	3.1
223.13283	8.6
241.14360	4.1
297.06015	6.7
315.07071	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	551.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05524	19.2
57.07082	18.7
67.05507	25.7
69.07067	24.0
71.08628	6.9
78.50350	2.8
79.05514	22.5
79.05887	3.2
81.07063	48.5
83.08623	10.9
83.15977	3.3
91.05491	38.5
93.07047	60.0
95.04988	7.2
95.08611	47.0
103.05502	6.6
105.07030	70.0
107.08604	57.5
109.10173	46.1
115.05453	3.8
117.07018	18.2
119.08588	100.0
121.10149	50.0
123.11707	16.0
128.06219	6.5
129.07014	14.6
129.81653	3.9
130.07780	5.8
131.08560	32.9
133.10133	73.6
135.11684	41.2
141.07007	4.3
142.07803	9.5
143.08562	25.3
144.09328	10.1
145.10139	74.1
147.11688	23.4
149.13217	5.9
151.44724	4.0
155.08604	8.8
156.09340	13.0
157.10164	34.0
159.11705	38.0
161.13269	10.0
165.07126	3.2
167.08629	4.6
168.09438	3.6
169.10139	18.4
170.10910	5.7
171.11711	21.3
173.13295	30.3
175.14845	36.8
179.08650	6.6
181.10153	12.4
182.10915	7.1
183.11639	18.8
185.13280	12.7
187.14822	15.7
189.16502	4.1
191.14180	3.4
193.10167	7.7
194.10883	9.3
195.11740	10.0
196.12440	4.2
197.13293	20.8
199.14900	11.7
201.16362	16.2
207.11691	5.8
208.12627	5.0
209.13304	15.3
211.14871	13.4
213.16389	6.0
219.17513	4.4
221.13263	6.3
223.14789	11.0
225.16408	6.9
233.13469	5.9
235.14774	9.7
237.16470	4.2
247.14825	3.8
249.16504	6.9
251.17909	3.5
253.19382	4.7
263.18134	4.4
267.21033	5.6
275.18167	4.3
285.22217	4.8
289.19589	4.0
291.21027	6.1
315.11734	3.9
327.07828	8.8
358.18433	3.3
383.14163	5.1
439.20117	4.0
460.05917	3.6
495.26498	11.3
495.36057	4.1
509.78601	4.0
551.42804	32.9
551.50317	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	551.4248
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
50.01596	0.9
51.02369	1.1
53.03942	4.2
55.05510	14.0
57.07078	9.2
63.78788	0.9
65.03941	3.1
67.05507	25.9
69.07071	19.3
69.35032	8.7
71.04982	1.2
71.08620	1.2
77.03910	1.4
79.05489	21.1
81.07060	41.1
83.04983	1.4
83.08624	9.2
85.06538	2.3
91.05479	36.7
93.07046	56.2
95.04973	5.1
95.08610	39.9
97.06509	1.3
97.10194	2.4
98.20750	2.1
98.21403	3.0
103.05487	4.7
104.06239	1.1
105.04530	1.6
105.07030	68.4
107.08595	53.4
109.06557	1.9
109.10155	41.0
111.08096	1.6
115.05438	4.4
116.06248	1.3
117.07022	14.1
119.08583	100.0
120.09496	1.2
121.10146	50.8
123.08073	2.1
123.11720	13.2
125.09628	1.0
128.06232	6.1
129.07004	10.1
130.07819	6.5
131.08571	27.7
131.09502	1.7
133.10130	54.1
135.08089	1.3
135.11694	36.8
135.12694	2.1
137.09639	3.3
137.13313	1.1
139.11201	1.7
141.06970	4.7
142.07785	14.1
143.08569	20.7
144.09349	5.3
145.10123	68.9
147.11678	20.4
149.09624	2.0
149.13263	5.6
151.11128	1.0
153.06966	1.2
154.07816	1.4
155.08542	11.3
156.09323	8.7
157.10126	34.3
158.10902	6.1
159.11693	35.6
160.12483	1.5
161.09676	1.3
161.13260	11.2
163.11185	2.1
163.14874	1.7
165.07014	2.2
166.07794	1.6
167.08598	5.7
168.09364	3.4
169.10126	14.4
170.11024	4.6
171.11696	24.5
172.12462	2.4
173.13269	21.5
173.14670	1.6
175.14832	41.6
177.12772	1.3
177.16501	0.9
179.08633	4.9
180.09395	2.2
181.10130	9.0
182.10918	5.8
183.11707	16.0
184.12466	2.3
185.13254	15.8
185.14835	1.3
186.13968	1.4
187.14824	16.1
188.33316	1.0
189.16420	4.1
193.10159	6.4
193.11966	1.7
193.15935	1.7
194.10913	4.8
195.11707	11.3
196.12541	4.0
197.13248	20.6
197.14972	1.4
198.14014	1.3
199.14810	9.1
201.16367	15.6
201.17989	1.3
203.14392	1.1
203.18042	1.5
205.10132	1.0
205.15926	1.6
206.10945	2.2
207.11670	6.0
208.12527	2.6
209.13275	13.7
210.14061	1.5
211.14830	13.1
212.15495	1.1
212.35487	1.1
213.16362	5.7
215.17975	1.8
217.15982	1.5
219.11691	1.8
219.17393	4.3
220.12492	2.2
221.13251	6.6
222.14090	2.0
223.14836	11.4
224.15576	1.4
225.16397	5.8
227.18036	3.0
229.15881	1.1
231.11823	1.8
233.13132	4.4
235.14754	5.3
236.15614	1.4
237.16328	5.8
239.17978	3.5
241.19534	2.9
246.14145	1.5
247.14871	4.0
248.15488	1.1
249.16426	2.8
251.18016	3.4
253.19434	5.5
257.19022	2.2
259.14847	1.1
260.15558	1.0
261.16568	2.9
262.17169	1.1
263.18039	3.5
265.19424	5.4
267.21088	4.9
271.20721	1.4
275.18082	1.7
277.19562	2.8
279.21143	2.8
281.22632	1.7
283.20663	2.2
285.22290	3.9
289.19531	2.7
291.21204	1.9
293.22803	1.2
297.22162	1.0
300.18732	1.0
303.21170	1.6
305.22708	2.1
309.22177	1.6
317.22833	1.2
319.24344	1.7
321.22363	1.1
333.25870	2.3
337.25235	1.2
345.25778	3.0
347.23712	1.1
351.26913	1.4
357.25998	1.5
359.23590	1.4
359.27509	1.4
391.30081	1.3
397.28934	1.5
398.29199	1.1
399.30911	1.3
411.30719	2.1
415.30267	1.0
429.31628	3.3
459.36340	2.2
495.36444	3.2
512.43115	0.9
533.41296	3.5
551.42505	37.7
551.63165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03954	1.1
55.01870	1.4
55.05519	4.0
57.03443	0.8
57.07050	1.3
65.03953	1.1
67.05520	5.2
69.03429	4.2
69.07060	3.5
71.04997	5.6
73.02885	0.8
73.06557	3.5
79.01856	3.8
79.05493	7.4
80.80394	0.9
81.03428	5.8
81.07060	18.2
83.04987	2.3
83.08628	0.8
84.43601	0.8
85.02917	7.3
85.06551	1.3
91.05473	8.0
93.07050	10.6
95.04964	3.0
95.08605	8.1
97.02888	8.0
97.06522	3.3
97.10172	1.6
99.04460	1.7
99.08096	2.9
103.05440	2.1
105.07041	17.1
107.01301	1.9
107.04949	2.0
107.08602	11.5
109.02869	2.9
109.06536	2.4
109.10155	8.8
111.04420	1.6
113.03513	0.9
117.07027	3.0
117.12090	1.0
119.04944	1.3
119.08591	12.3
121.02930	1.0
121.06495	1.9
121.10136	9.9
122.03667	1.1
123.04400	2.0
123.08060	1.5
123.11705	6.1
125.02343	3.4
125.06055	1.3
125.09647	9.9
127.03921	6.8
127.07529	1.3
127.11178	1.7
129.07022	1.7
131.04942	2.5
131.08553	2.9
133.02762	0.9
133.06447	1.2
133.10133	12.3
135.04443	1.2
135.08087	1.3
135.11723	4.4
137.05981	11.6
137.09624	1.7
142.07753	1.0
143.03395	6.5
143.08626	1.0
143.10678	5.5
145.04948	1.5
145.10158	5.6
147.04404	1.7
147.08032	1.4
147.11694	13.2
149.06020	1.5
149.09627	2.1
149.13278	2.4
151.03922	1.4
151.07565	6.5
151.11183	2.0
153.01831	100.0
153.02792	4.2
157.10188	1.7
159.11710	6.4
161.05975	2.7
161.09685	2.2
161.13246	3.1
161.61810	0.9
163.03973	3.9
163.07526	1.6
163.11163	0.9
165.01956	1.5
167.03427	1.0
167.07059	11.6
171.02971	7.0
171.11635	1.3
173.13332	1.8
175.07642	1.1
175.14812	1.5
177.05550	1.2
181.04979	6.6
181.08713	1.0
183.02931	3.2
187.07568	1.4
189.09238	0.9
191.14276	1.1
193.08568	1.7
195.02933	2.3
201.16425	4.5
203.10757	1.6
203.17953	4.9
205.04942	1.2
207.10207	1.4
211.07494	1.1
217.08556	1.1
219.17418	9.4
221.18954	2.0
231.14162	0.8
233.11790	1.5
237.09387	0.9
237.18430	2.2
241.08707	0.9
255.05005	1.0
261.03915	1.2
267.09924	0.8
279.94669	0.8
281.11551	1.2
283.09689	1.1
289.06985	4.8
297.06000	2.3
303.05197	1.2
305.05606	1.0
309.11432	1.3
313.10788	0.9
315.07047	5.9
327.12277	3.9
327.19531	1.2
341.13843	2.8
353.13895	1.2
359.14911	5.3
371.18573	2.2
389.19559	1.1
431.99741	1.1
523.23303	1.5
551.21393	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	551.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03954	1.1
55.01870	1.4
55.05519	4.0
57.03443	0.8
57.07050	1.3
65.03953	1.1
67.05520	5.2
69.03429	4.2
69.07060	3.5
71.04997	5.6
73.02885	0.8
73.06557	3.5
79.01856	3.8
79.05493	7.4
80.80394	0.9
81.03428	5.8
81.07060	18.2
83.04987	2.3
83.08628	0.8
84.43601	0.8
85.02917	7.3
85.06551	1.3
91.05473	8.0
93.07050	10.6
95.04964	3.0
95.08605	8.1
97.02888	8.0
97.06522	3.3
97.10172	1.6
99.04460	1.7
99.08096	2.9
103.05440	2.1
105.07041	17.1
107.01301	1.9
107.04949	2.0
107.08602	11.5
109.02869	2.9
109.06536	2.4
109.10155	8.8
111.04420	1.6
113.03513	0.9
117.07027	3.0
117.12090	1.0
119.04944	1.3
119.08591	12.3
121.02930	1.0
121.06495	1.9
121.10136	9.9
122.03667	1.1
123.04400	2.0
123.08060	1.5
123.11705	6.1
125.02343	3.4
125.06055	1.3
125.09647	9.9
127.03921	6.8
127.07529	1.3
127.11178	1.7
129.07022	1.7
131.04942	2.5
131.08553	2.9
133.02762	0.9
133.06447	1.2
133.10133	12.3
135.04443	1.2
135.08087	1.3
135.11723	4.4
137.05981	11.6
137.09624	1.7
142.07753	1.0
143.03395	6.5
143.08626	1.0
143.10678	5.5
145.04948	1.5
145.10158	5.6
147.04404	1.7
147.08032	1.4
147.11694	13.2
149.06020	1.5
149.09627	2.1
149.13278	2.4
151.03922	1.4
151.07565	6.5
151.11183	2.0
153.01831	100.0
153.02792	4.2
157.10188	1.7
159.11710	6.4
161.05975	2.7
161.09685	2.2
161.13246	3.1
161.61810	0.9
163.03973	3.9
163.07526	1.6
163.11163	0.9
165.01956	1.5
167.03427	1.0
167.07059	11.6
171.02971	7.0
171.11635	1.3
173.13332	1.8
175.07642	1.1
175.14812	1.5
177.05550	1.2
181.04979	6.6
181.08713	1.0
183.02931	3.2
187.07568	1.4
189.09238	0.9
191.14276	1.1
193.08568	1.7
195.02933	2.3
201.16425	4.5
203.10757	1.6
203.17953	4.9
205.04942	1.2
207.10207	1.4
211.07494	1.1
217.08556	1.1
219.17418	9.4
221.18954	2.0
231.14162	0.8
233.11790	1.5
237.09387	0.9
237.18430	2.2
241.08707	0.9
255.05005	1.0
261.03915	1.2
267.09924	0.8
279.94669	0.8
281.11551	1.2
283.09689	1.1
289.06985	4.8
297.06000	2.3
303.05197	1.2
305.05606	1.0
309.11432	1.3
313.10788	0.9
315.07047	5.9
327.12277	3.9
327.19531	1.2
341.13843	2.8
353.13895	1.2
359.14911	5.3
371.18573	2.2
389.19559	1.1
431.99741	1.1
523.23303	1.5
551.21393	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	551.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01880	3.7
55.05499	7.6
57.03437	3.9
65.03934	7.2
67.05499	9.5
69.03416	11.2
69.07069	6.8
70.97279	5.5
71.04986	8.1
73.06553	14.8
73.88438	2.5
78.04721	2.6
79.01867	3.7
79.05482	14.5
81.03413	10.0
81.07044	19.8
83.04965	5.6
85.02904	10.7
85.06532	4.4
85.28927	2.2
89.19721	2.1
91.05492	14.8
93.07053	18.1
95.04977	5.9
95.08616	12.1
97.02878	15.8
97.06502	4.6
98.21050	2.2
99.04462	4.1
99.08092	2.7
103.05442	2.6
105.07045	20.5
107.04967	9.3
107.08597	15.3
109.02883	6.5
109.06524	3.3
109.10175	13.4
110.03687	3.6
111.04455	4.5
111.08095	2.2
113.10775	2.3
115.05480	4.3
117.07042	3.2
119.04960	6.6
119.08602	11.0
121.06504	6.1
121.10110	13.4
122.03664	5.0
123.04434	6.8
123.11720	5.8
124.05213	2.5
125.05981	3.9
125.09620	11.0
127.03940	13.5
127.11231	3.2
129.06975	4.3
131.04941	6.1
131.08577	8.1
133.06525	4.2
133.10117	18.4
135.04401	3.4
135.08047	5.8
135.11664	4.7
137.02318	4.2
137.05978	35.5
137.09579	4.1
138.37227	2.4
143.03421	3.6
143.10693	3.0
145.06561	4.3
145.10184	6.3
147.04414	5.6
147.11662	12.9
149.05972	6.4
149.13258	4.0
151.04021	3.3
151.07545	36.8
153.01833	100.0
153.02803	4.0
153.05499	6.5
157.10080	2.8
159.11729	3.4
161.06023	10.1
161.09575	6.0
161.13303	3.1
163.03937	17.2
163.07526	8.6
163.11108	2.7
165.01913	2.4
165.05450	2.6
165.09084	4.3
165.12781	2.3
165.91147	2.6
167.07051	54.8
171.02910	6.6
175.07541	3.8
177.05452	6.1
177.09140	3.6
179.07085	3.9
181.05000	14.0
181.08592	5.9
183.02879	5.1
189.09122	6.9
191.10686	4.2
193.08623	8.4
195.02895	6.7
195.07976	2.7
201.16383	5.4
203.10701	3.0
203.17990	3.6
205.04852	4.4
207.10152	4.6
209.15436	2.4
210.78293	2.7
211.07599	3.9
219.10117	3.4
219.17523	7.4
224.08411	2.7
235.07690	3.3
237.09291	4.3
238.09784	2.6
239.20151	2.6
240.07845	3.0
241.08525	3.4
252.07996	2.3
253.08635	5.2
255.10202	4.1
263.10770	2.4
267.10193	3.0
269.07974	2.5
279.10211	3.1
281.11661	4.2
283.09564	2.7
289.07040	23.0
309.11163	7.3
313.10876	4.7
313.14352	3.1
315.07089	6.7
321.11273	3.3
323.12872	2.7
327.12299	19.1
331.19247	2.5
335.12814	3.9
335.25598	3.1
337.10590	2.7
341.13730	11.8
359.14996	33.5
367.15353	3.1
371.14706	6.1
489.18823	3.2
523.23187	4.5
533.21423	4.2
551.23193	14.1
563.27484	2.7
571.80225	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	551.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
65.03937	14.6
67.05516	7.2
69.03416	3.8
69.30482	13.8
69.30904	14.1
71.04991	4.3
79.05487	11.0
81.03410	8.0
81.07034	13.8
82.04205	3.4
82.07359	2.9
83.04975	5.2
85.02890	3.9
91.05492	18.5
93.03406	5.3
93.07037	13.3
94.04150	3.4
95.04957	7.5
95.08596	7.6
97.02896	6.7
97.06522	7.1
98.20900	12.2
99.04450	4.9
103.05471	7.5
105.07037	17.5
107.04938	10.7
107.08580	11.2
109.02881	3.6
109.06542	7.4
109.10144	5.0
110.03667	7.2
111.04434	7.4
115.05486	5.3
119.04955	7.3
119.08605	5.6
121.02823	5.1
121.06489	8.8
121.10133	12.5
122.03659	7.0
123.04392	7.8
123.08093	3.7
123.11676	4.1
124.05169	4.0
125.05985	13.1
125.09533	2.8
126.15756	3.0
129.06996	3.6
131.04926	12.7
133.02876	5.4
133.10135	6.1
135.04428	4.2
135.11726	4.4
136.05200	4.2
137.05986	71.6
145.06479	8.3
146.12132	2.7
147.04414	5.7
147.11679	4.5
149.05960	5.5
149.09596	7.5
151.03961	8.0
151.07562	55.4
153.01852	28.1
153.05443	19.4
157.06526	3.3
159.08029	3.6
159.11664	3.4
160.05203	4.1
160.66457	2.8
161.05988	21.6
161.09589	6.8
163.03835	3.6
163.07571	9.4
165.05492	3.8
165.09158	4.5
165.12767	10.3
167.07053	100.0
174.06703	3.5
175.07576	13.0
177.05415	4.4
177.09119	7.0
179.06979	4.4
181.04991	60.1
181.06496	6.9
181.08542	7.0
187.07387	3.7
189.09117	9.4
191.06989	6.6
193.08604	9.0
195.08043	3.8
195.10178	4.5
197.62901	3.0
203.08492	3.1
203.10471	3.0
205.06485	3.2
207.10185	5.1
209.07927	3.0
209.15329	16.3
211.07622	3.7
219.08087	4.3
219.10135	7.0
221.08026	3.4
223.07552	4.4
225.09084	8.6
234.06815	4.5
235.04817	3.0
235.07521	5.7
237.09018	3.3
240.07860	4.0
248.08243	4.1
249.09126	4.2
251.07053	4.7
253.08537	9.3
255.10121	8.1
263.10748	4.1
264.07840	5.8
265.08551	4.3
266.09439	4.1
267.10068	6.0
269.08145	3.5
272.08173	3.2
277.08664	5.9
279.06717	4.8
279.10168	3.2
281.08243	6.6
281.11703	7.6
283.09579	5.5
291.09949	3.9
293.11560	3.2
295.09717	9.1
296.10260	3.2
297.11267	7.0
299.12717	5.1
307.09546	3.6
309.11282	14.5
310.11679	4.1
311.12686	4.5
313.10675	9.6
313.14185	6.7
323.12662	5.6
325.14331	6.4
327.12274	41.6
335.12814	7.1
337.10873	4.0
339.12354	5.7
341.13882	22.6
351.12256	4.5
353.13898	4.8
353.26584	4.6
355.15482	6.3
359.14893	58.8
365.13684	7.0
367.15054	4.4
371.14905	7.6
387.17947	4.2
489.19043	5.4
519.19830	4.3
523.23193	11.2
533.21710	11.5
551.22852	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	551.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49133	0.5
51.88415	0.4
53.03933	1.5
54.54155	0.5
55.01867	1.0
55.05509	3.2
57.03421	1.3
57.07078	4.7
61.02907	0.8
67.01865	6.9
67.05515	1.2
68.99791	3.2
69.03429	5.6
69.07084	0.7
69.47847	1.2
69.48267	2.6
71.04993	1.3
73.02908	0.7
73.06557	10.9
78.97323	0.5
79.05480	1.8
81.03429	6.6
81.07063	2.4
83.04980	3.0
85.02495	0.6
85.02911	7.1
85.06527	1.6
89.03915	0.9
91.05484	2.5
93.07031	1.7
95.04957	1.3
95.08610	2.0
97.02900	9.9
97.06516	0.6
98.18079	0.5
98.20950	1.8
98.21558	0.8
99.04445	1.4
99.08044	0.5
101.06020	0.8
103.05454	0.9
105.07034	3.0
105.90202	0.5
107.04951	1.5
107.08593	2.2
107.46822	0.5
109.02885	3.0
109.06534	0.7
109.10141	1.4
111.00816	1.1
111.04445	1.2
115.05500	0.8
117.03382	2.0
119.04849	0.5
119.08589	1.3
121.02866	0.5
121.10136	2.0
123.04419	4.1
123.08058	0.8
125.02371	0.7
127.03926	7.5
129.01912	0.6
131.04906	1.5
131.08522	0.8
133.10130	1.3
135.04440	3.8
135.08055	0.9
135.11699	0.6
137.02386	0.8
137.05981	6.5
139.03918	0.8
143.03348	0.6
143.08585	0.6
145.02869	3.4
145.04974	3.9
145.10120	1.2
147.04408	1.3
147.11670	1.5
149.02333	0.8
149.05998	0.6
149.09637	1.1
151.03899	1.6
151.07605	0.7
153.01834	95.3
159.11790	0.6
161.05965	1.1
161.09647	0.6
161.13217	0.6
163.03918	22.0
163.07556	1.3
165.01768	0.6
167.07045	4.5
171.02895	40.2
177.05545	0.7
178.04991	0.5
179.03438	4.5
179.08566	0.5
187.03931	1.1
191.03384	0.7
195.02870	6.2
211.10945	0.8
215.03456	0.9
215.10699	0.6
219.02864	1.5
219.13760	0.6
219.17505	1.2
222.07112	0.5
229.10741	1.6
231.06516	1.1
243.02933	0.9
245.10316	0.9
247.05984	0.8
255.06433	0.8
259.05908	1.4
261.03925	2.0
271.05942	1.6
287.05594	1.7
288.05859	1.5
289.07074	100.0
290.07553	1.0
301.07114	0.7
305.06598	1.9
313.07071	1.8
313.10501	0.6
331.08096	1.2
335.25876	0.8
349.40897	0.5
355.07953	0.9
397.09323	1.8
409.16541	0.6
551.24084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05460	2.6
53.03940	5.7
55.01865	3.3
55.05510	8.1
57.03454	3.3
63.36112	2.5
65.03935	10.0
67.05495	9.6
69.03428	6.6
69.16187	2.4
69.30396	10.9
69.30832	14.7
71.04998	5.0
73.06551	5.8
78.04713	3.5
79.05493	13.2
81.03411	5.4
81.07059	16.9
83.04967	6.8
83.42788	2.8
85.02888	11.9
85.06509	3.5
91.05489	22.1
93.03400	3.0
93.07029	12.6
94.04188	4.0
95.04956	10.9
95.08598	9.5
97.02892	7.9
97.06539	5.4
98.21290	11.6
103.05454	8.7
105.07035	21.6
106.04147	3.3
107.04946	14.8
107.08581	13.0
109.02902	4.0
109.06528	4.4
109.10148	9.7
110.03654	10.1
111.04463	4.3
115.05427	5.3
117.07049	3.9
119.04967	6.8
119.08592	8.7
121.02862	2.8
121.06541	7.2
121.10133	12.2
122.03636	7.4
123.04454	8.8
123.08064	5.6
123.11685	5.7
124.05207	3.6
125.05959	8.5
125.09598	5.3
126.10546	2.8
127.03872	7.5
128.06195	3.1
129.07021	4.5
131.04926	10.0
131.08568	3.2
133.02890	3.2
133.06496	6.6
133.10132	12.3
135.08017	5.7
135.11664	3.5
136.05252	3.3
137.05986	62.8
137.07036	4.5
137.09569	4.4
145.06516	5.7
145.10089	4.0
147.04391	7.1
147.08049	4.2
147.11671	7.8
149.05988	8.7
149.13292	3.9
151.03937	6.9
151.07555	65.9
151.11221	3.6
153.01849	58.7
153.02943	4.2
153.05450	13.4
153.06587	2.8
161.06003	18.8
161.09612	8.9
161.13245	3.4
163.03893	10.6
163.07553	8.6
165.05466	3.4
165.09155	4.7
167.07063	100.0
173.13245	3.7
175.07518	9.2
177.05539	6.5
177.06961	3.0
177.09090	4.9
179.07043	6.2
181.04968	9.9
181.08586	7.7
183.08203	3.2
187.07698	2.7
189.05486	3.2
189.09077	10.5
191.06996	6.3
191.10568	3.7
191.14409	3.1
193.08617	10.4
195.08131	3.6
195.10191	4.7
203.08650	4.5
205.06688	3.3
205.08643	4.6
207.08174	3.3
207.10138	7.4
208.21037	2.9
209.05927	3.2
212.08397	3.2
217.08676	3.3
219.10091	4.4
219.17442	6.0
223.07532	3.1
225.09041	4.0
238.09923	4.0
239.19810	2.9
240.07784	7.7
247.07549	5.8
248.08453	3.4
249.09149	3.4
251.07101	3.6
252.07907	3.2
253.08617	16.2
253.12115	4.6
255.10172	5.1
265.08539	3.3
267.10153	4.3
268.07178	4.5
269.38480	3.2
277.08548	4.9
279.10254	3.9
281.11523	5.8
283.09692	7.7
289.07074	12.3
291.10114	7.0
295.09671	8.2
297.11102	4.4
299.12878	6.0
303.10062	5.3
307.09695	4.2
309.11240	11.2
311.12775	5.3
313.10703	7.8
313.14230	6.6
323.12607	3.8
327.12332	37.0
335.12778	10.8
339.12201	3.6
341.13782	29.1
353.13788	7.3
353.27017	5.2
355.15457	5.5
359.14868	53.7
365.13815	4.2
367.15283	4.0
371.14725	7.5
379.15158	3.3
385.16180	5.9
387.18118	4.4
459.13263	3.1
489.19168	3.7
492.17923	3.5
519.20227	4.3
523.23260	6.5
533.21545	12.4
551.22540	24.8
573.62701	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	551.1399
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01854	1.6
57.03437	8.2
61.02926	1.8
68.99799	0.8
69.03429	7.7
70.72871	1.9
71.01331	1.1
73.02920	13.0
75.50030	0.7
81.03398	0.8
82.13660	0.7
83.04977	0.9
85.02913	9.4
91.05473	1.3
97.02900	11.3
98.20673	0.6
98.21256	0.9
99.04455	0.7
105.15269	0.6
107.04926	0.9
115.03929	7.8
121.02869	3.8
127.03910	1.4
127.27177	0.8
128.11513	0.7
133.04939	3.1
133.68941	0.7
137.02394	1.7
137.05992	4.7
139.03902	1.5
147.04428	2.0
153.01820	6.2
157.04947	1.5
163.11205	0.6
165.01837	1.8
167.07030	1.7
181.04973	0.8
183.02933	0.8
183.06842	1.1
185.05995	0.8
207.23978	0.6
211.05977	1.0
213.05374	1.7
229.07013	1.8
231.06541	0.8
241.05025	0.9
258.05200	0.9
287.05508	100.0
288.05759	1.4
299.05539	4.1
311.05502	1.2
313.07056	1.1
325.07132	2.0
327.08752	1.0
329.06406	3.9
337.07047	2.1
353.06693	3.4
365.06693	1.1
383.07614	4.5
401.08484	1.6
419.09586	2.3
558.48236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
57.03435	10.0
61.02929	1.6
61.81506	1.2
69.03433	15.4
70.37938	2.7
70.38322	3.7
73.02921	22.2
73.06551	2.9
81.03410	2.0
81.07034	1.5
83.04960	1.6
85.02913	10.2
91.05488	2.0
93.07013	2.9
97.02901	25.6
98.21100	3.4
99.04441	3.1
105.06997	3.2
107.04885	2.0
115.03925	15.1
117.07016	1.7
120.15408	1.4
121.02891	8.3
121.06513	1.9
123.04446	1.3
127.03895	4.4
131.08487	1.8
133.04926	2.5
137.02315	2.0
137.06012	2.2
145.10101	1.7
147.04408	2.6
148.72844	1.3
153.01833	15.2
161.05986	2.7
163.07645	1.6
165.01865	2.5
165.05586	1.5
167.07013	3.9
176.80792	1.3
185.06125	1.7
193.08655	1.6
211.06061	4.2
283.06256	2.1
287.05505	100.0
294.79630	1.4
299.05493	11.5
300.06277	1.7
303.04984	6.3
311.02026	1.8
311.05533	4.4
312.64084	1.5
313.07010	3.5
325.06979	4.3
327.08463	2.5
329.06491	14.7
337.07083	5.9
353.06421	10.3
365.06522	5.5
383.07635	17.2
401.08722	5.5
419.09653	16.6
424.55521	1.5
551.20825	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01860	1.4
55.05509	3.2
57.03430	1.2
57.07072	4.0
67.01867	7.8
67.05484	1.3
68.99792	2.4
69.03426	5.6
69.07066	0.8
70.04764	2.1
71.04988	0.7
73.02921	0.7
73.06552	9.4
79.05482	1.5
79.47128	0.6
81.03413	6.6
81.07059	3.1
81.07462	0.6
83.04967	2.0
84.66536	0.6
85.02916	8.5
85.06529	1.7
89.03900	1.0
91.05476	1.8
93.07040	2.0
94.04188	0.6
95.04962	1.0
95.08617	1.8
97.02890	12.6
97.06544	0.6
98.20710	0.6
99.04442	1.8
103.05444	1.0
105.07032	2.0
107.04959	1.3
107.08588	1.2
107.19299	0.5
109.02903	3.4
109.06538	0.8
109.10134	1.2
110.10396	0.6
111.04459	1.0
111.08029	0.9
117.03406	1.4
119.04946	0.7
119.08586	1.1
121.02839	0.9
121.06509	0.6
121.10140	1.7
123.04430	4.4
123.11681	1.4
125.02325	1.4
125.09630	0.7
127.03920	7.7
129.01842	1.7
131.04884	1.4
131.08556	1.0
133.10152	1.8
135.04427	4.0
135.07994	0.7
135.11736	0.7
137.02264	1.3
137.05959	6.2
139.03886	1.6
139.04938	0.8
143.03450	0.7
145.02827	2.5
145.04961	4.7
147.04385	1.6
147.11725	1.0
147.18236	0.6
149.02380	0.9
151.03885	1.7
151.07550	0.9
153.01825	100.0
154.02168	0.7
159.11761	0.7
161.05914	0.8
163.02538	1.2
163.03909	23.1
163.07503	1.5
165.01816	1.5
167.03377	0.9
167.07066	3.9
171.02888	40.0
177.01802	0.7
177.12706	0.8
179.03383	6.3
181.05009	1.0
187.03809	1.1
195.02888	6.4
205.04965	0.7
209.16864	0.6
219.02803	1.4
219.17513	1.3
229.10628	1.0
231.06508	0.8
243.02884	0.8
245.10228	1.1
247.05864	0.6
258.00793	0.6
259.05975	0.6
261.03989	2.8
271.01602	0.6
271.05991	1.4
287.05502	2.1
288.05374	0.9
289.07056	97.1
290.07309	1.0
305.06577	2.4
313.06955	1.3
331.08051	1.3
335.25610	0.9
355.08258	1.6
397.09241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01873	2.5
55.05257	2.0
55.05516	32.4
55.65909	1.2
57.03444	6.0
57.07082	8.0
57.64097	1.2
59.47094	1.2
65.03951	2.5
67.05508	41.8
69.03436	2.2
69.07071	34.0
71.04999	4.5
71.08624	5.0
71.58210	1.9
79.05498	21.7
81.03423	40.4
81.06575	2.2
81.07061	44.0
83.04981	7.5
83.08624	36.4
85.02914	21.2
85.06548	3.5
85.10188	2.2
91.05482	23.5
93.07054	24.1
95.04971	17.0
95.08610	36.5
97.02877	2.8
97.06536	4.0
97.10183	14.3
98.20898	1.9
99.08099	2.7
105.07033	16.6
107.04981	3.6
107.08602	9.3
107.76244	1.2
109.06554	2.2
109.10146	18.7
111.04435	2.3
111.08083	7.8
111.11744	4.4
112.55005	1.2
113.06002	1.3
113.09646	1.8
115.05449	1.6
117.07047	3.3
119.08586	16.5
119.09351	1.7
121.10149	15.2
123.11714	5.6
125.13322	1.4
129.07019	7.2
131.08571	9.3
133.06508	1.5
133.10092	6.4
135.11678	7.5
137.05991	1.3
137.09647	1.4
137.13261	1.6
142.07785	1.7
145.10194	2.7
147.08080	1.8
147.11708	9.4
149.09662	4.6
149.13289	4.2
157.10138	8.6
165.12726	1.5
175.11176	7.8
193.12247	39.2
202.88486	1.2
211.13303	50.0
265.25323	6.3
267.15964	5.6
339.29019	2.8
457.36398	2.3
531.40411	5.1
549.41547	100.0
550.42358	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	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01859	3.2
55.05512	37.1
57.03439	8.2
57.07072	7.8
59.04993	1.1
59.50740	1.0
61.80499	0.9
63.82547	0.9
65.03931	1.9
67.05508	43.8
67.05871	2.2
69.03429	2.7
69.07069	32.6
69.64915	5.8
71.01378	0.8
71.04999	5.3
71.08650	4.6
76.27120	0.9
79.05054	1.9
79.05494	27.5
81.03417	38.7
81.07057	46.2
81.44949	0.9
83.04977	7.7
83.08130	1.9
83.08620	33.6
83.09113	2.0
85.02906	20.8
85.06544	2.5
85.10172	2.0
91.05484	21.6
93.07047	21.0
95.04967	18.6
95.05545	1.1
95.08607	35.7
95.54665	0.9
96.76057	0.9
97.02882	2.2
97.06548	4.1
97.09608	1.4
97.10169	14.0
98.21054	3.1
99.08089	2.8
105.07027	16.6
107.04969	3.6
107.08598	13.1
109.06516	3.8
109.10158	17.8
111.04446	3.1
111.08083	8.2
111.11730	4.3
113.06001	1.9
113.09595	1.5
115.05457	1.2
119.08584	14.4
121.06488	1.2
121.10150	12.4
121.52971	0.8
123.11702	5.1
125.09550	1.8
129.07014	6.3
131.08574	7.6
133.06511	2.0
133.10139	8.5
135.11681	6.6
137.09595	1.3
137.13258	1.3
142.07822	1.0
145.10114	1.6
147.08012	0.9
147.11694	9.9
148.11681	1.0
149.09628	3.2
149.13274	2.5
151.11188	2.1
151.14825	0.9
157.10153	9.0
163.14835	1.3
165.12766	2.1
165.16353	1.3
175.11200	8.7
193.12248	45.7
211.13289	46.7
236.41966	0.9
247.24269	3.1
253.14330	4.8
265.25275	7.9
267.15829	5.3
271.15439	1.0
335.25797	1.4
339.29083	3.4
354.47830	1.0
380.70828	1.2
445.34857	1.0
457.36710	2.4
531.41254	4.3
549.23816	3.9
549.41504	100.0
550.41718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01872	0.5
57.03435	0.5
57.07078	27.7
62.65913	0.3
67.05488	0.4
68.99784	0.9
69.03419	2.1
69.86308	2.2
73.02896	0.4
78.74608	0.4
79.05490	1.3
81.03426	2.1
81.07057	1.0
83.04979	0.4
85.02918	3.9
85.06545	6.2
91.05473	1.0
93.07025	1.1
95.04947	0.9
95.08601	0.9
97.02879	1.8
98.21056	0.9
99.04457	0.7
103.05427	0.4
103.07563	0.6
105.07019	1.5
107.04897	0.5
107.08584	1.0
109.02895	2.0
109.06557	0.6
109.10131	0.7
111.00805	1.2
117.88025	0.5
119.04913	0.4
119.08588	0.4
121.02871	0.9
123.04416	0.8
123.08180	0.4
127.03896	2.9
129.07016	0.5
131.04985	0.6
135.08093	0.9
137.02359	3.3
137.05965	1.5
139.07526	0.7
141.05464	0.5
145.04987	2.1
145.06462	0.7
145.10069	0.6
147.04460	0.4
151.03864	0.4
151.07582	0.6
153.01831	4.6
161.06000	0.7
161.09636	0.4
163.03920	1.1
163.07611	0.8
163.11174	0.4
165.01859	1.8
167.07062	3.3
168.07364	0.6
171.50299	0.4
173.05959	0.9
177.05373	0.6
178.05000	2.8
179.05318	1.5
183.02824	0.6
186.90527	0.3
187.09721	0.8
190.06030	0.4
191.07051	0.9
201.05386	1.9
219.06464	0.5
229.04961	4.7
229.10698	3.1
247.05992	0.6
247.11742	2.4
253.97269	0.4
257.04404	3.4
257.68213	0.4
274.04691	0.6
285.03995	1.4
303.05002	100.0
304.05380	1.4
315.04855	0.4
345.05963	0.6
454.10370	0.4
459.60266	0.4
478.15842	0.8
535.62335	0.4
549.21930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05498	1.6
55.41177	0.6
56.57790	0.6
57.03430	1.0
58.92734	0.7
63.02362	1.4
67.05510	3.7
67.13811	0.6
69.03416	2.6
69.07054	2.0
71.04969	0.8
71.57988	1.3
73.02912	0.9
79.05479	2.5
81.03416	3.3
81.07055	5.4
83.04989	0.8
83.08622	1.0
85.02879	2.7
85.06525	1.1
89.03914	6.5
91.05472	2.0
92.72649	0.5
93.07030	3.2
95.04980	1.3
95.08599	5.9
97.02880	1.0
97.06513	1.0
99.04446	0.9
103.05441	0.8
105.07031	3.0
107.04932	1.3
107.08624	4.2
109.02889	1.0
109.06552	1.2
109.10162	7.4
115.03931	0.6
117.03377	21.2
117.04230	1.0
119.08563	4.0
121.06528	1.0
121.10130	2.6
123.08045	2.1
123.11665	2.1
125.09621	0.8
126.61460	0.6
127.03896	1.1
129.06912	0.7
131.04922	1.0
131.08545	0.9
133.02837	2.5
133.06479	1.2
133.10138	3.4
134.03644	1.5
135.04398	1.0
135.08069	1.4
135.11678	6.1
137.05965	2.7
137.09599	1.3
137.13228	0.7
145.02841	48.6
145.10086	1.4
147.11679	1.8
149.06001	8.8
149.09671	0.8
151.07544	8.7
151.11197	1.3
153.01837	1.7
159.08035	0.9
159.11639	1.3
161.13251	0.8
163.03976	0.9
163.07506	0.9
163.11166	1.3
165.05463	0.9
167.07051	3.5
173.60124	0.8
175.07605	1.1
175.14749	3.0
175.80269	0.6
177.05469	100.0
178.05939	0.8
186.05498	1.4
191.10764	1.1
193.15869	3.0
195.06534	1.9
203.10641	0.8
207.13881	0.9
211.16937	3.5
217.08577	1.5
237.18472	0.8
291.10324	0.7
293.08011	0.7
321.09854	2.7
333.31723	0.7
334.24475	0.7
339.10699	5.0
352.25644	0.8
371.14886	0.9
399.14551	1.4
445.41934	0.6
465.07626	0.6
478.16150	1.5
531.20306	1.1
549.19495	1.4
549.29822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.05521	11.2
57.03436	3.1
57.07078	3.0
65.03934	2.8
67.05512	14.1
68.16322	1.8
69.03429	16.4
69.07060	5.5
70.20494	5.0
71.04996	4.6
73.02926	3.4
73.06555	47.5
73.06960	2.6
79.05492	8.8
81.03425	11.4
81.07072	15.4
83.04990	10.2
83.08607	2.0
85.02908	19.1
91.05480	14.2
93.07046	24.9
95.04967	12.5
95.08602	22.3
97.02895	31.8
98.06602	2.3
98.20905	2.9
99.04453	7.8
101.06013	7.4
101.06604	1.9
103.43847	1.8
105.07035	22.5
107.04972	3.0
107.08598	30.4
109.02905	10.2
109.06514	3.6
109.10148	16.5
111.04459	8.6
111.08105	5.1
113.05998	10.3
115.05468	2.4
119.07020	2.9
119.08572	15.8
121.06497	6.7
121.10123	16.4
123.08031	2.7
123.11732	5.4
125.06036	2.6
125.09628	9.9
127.03935	17.2
131.08563	11.6
133.10132	69.7
135.04419	3.3
135.08058	9.0
135.11682	8.2
137.05984	6.9
139.03918	3.6
139.07515	12.7
143.08514	3.4
145.04964	11.7
145.10136	17.9
147.04430	9.9
147.11684	6.0
149.09615	3.7
151.07576	3.3
153.01851	7.5
153.09096	19.6
154.02214	2.0
157.10112	2.5
159.08070	14.5
159.11693	9.2
161.09627	3.8
161.13269	2.4
163.03929	6.6
163.06201	2.2
163.07539	9.0
163.11122	2.4
167.07050	3.7
173.09616	26.8
173.13234	10.0
177.09096	12.8
178.04980	7.8
187.11241	3.8
187.14838	28.7
189.16377	3.0
191.10670	7.5
192.49348	2.3
195.10141	2.9
197.13292	2.9
206.04489	4.5
213.12833	1.9
215.14319	41.8
233.15356	100.0
243.21631	2.3
245.10141	2.8
251.16417	11.8
268.60114	2.3
318.59723	2.1
548.35156	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	548.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.03463	1.5
54.96894	0.4
55.04231	0.5
58.06603	1.0
66.55036	0.4
68.99796	1.7
69.03428	1.8
70.06593	100.0
71.55996	0.7
77.40694	0.5
79.05508	0.5
81.03436	1.0
81.07074	0.7
82.59434	0.4
85.02904	2.9
91.05476	1.3
93.07059	0.7
95.04970	0.7
97.02886	1.0
103.05486	1.0
107.04967	1.1
109.02898	0.6
119.04970	2.0
121.06498	3.2
123.04434	12.6
127.03923	0.7
129.07033	0.5
131.04938	0.6
135.04424	2.7
135.45872	0.5
145.06506	0.5
147.04422	7.4
149.05966	6.5
153.01802	0.7
158.36853	0.4
159.04463	1.3
161.06033	1.0
165.05472	5.6
165.93132	0.4
173.06003	1.0
175.07527	3.0
177.05473	68.2
178.05826	0.8
179.07166	0.6
189.05447	0.7
207.06566	1.2
234.11252	14.7
311.09262	0.5
326.90836	0.4
329.10202	8.3
372.36252	0.5
386.16025	0.6
394.81775	0.4
491.15530	1.4
548.21301	57.0
549.21686	1.9
561.75018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15582	2.0
55.01876	12.9
55.05505	5.4
56.41318	2.0
57.03437	25.9
57.07072	4.4
59.04991	3.0
61.02927	22.1
67.05511	17.7
68.31402	1.9
69.03073	3.6
69.03433	54.6
69.07072	10.7
69.82266	13.3
71.01347	7.4
71.04986	2.3
73.02920	89.2
79.05495	8.3
81.03401	9.0
81.07061	59.4
83.04966	4.3
83.08597	4.3
85.02908	100.0
87.04481	10.0
89.85354	1.9
91.03947	4.1
91.05495	6.9
93.07082	11.7
93.07536	2.3
95.04970	5.7
95.08045	3.1
95.08611	40.5
96.04523	2.4
97.02895	95.2
97.06554	3.5
97.10157	4.6
98.21122	7.6
99.04449	6.8
103.03884	4.8
105.07011	11.0
107.08063	1.9
107.08618	20.4
108.58105	2.0
109.02893	9.5
109.06561	3.5
109.10168	31.4
111.08099	2.4
115.03931	44.2
119.08566	8.4
121.06534	3.2
121.10131	19.6
123.11718	9.4
125.09618	4.6
127.03928	34.1
131.08575	2.5
133.04964	44.0
133.10126	6.8
135.08017	3.7
135.11700	21.0
137.09637	6.5
137.13258	18.3
144.06544	4.7
145.04974	39.2
145.10112	6.4
147.11690	3.7
149.13232	5.5
151.11136	2.4
155.10672	5.1
156.06537	2.2
159.11673	6.0
161.09676	3.1
161.13300	4.0
162.07629	2.5
163.06033	11.8
163.11176	5.5
171.11649	1.9
173.13216	4.7
175.14803	2.5
177.16382	3.9
181.12189	3.4
185.13364	2.1
191.17961	45.3
193.04942	3.6
201.12633	2.9
201.16360	7.0
219.17458	23.2
220.44778	2.3
221.96744	2.3
223.06046	6.4
237.18382	5.8
241.07066	9.3
259.08224	6.7
273.18353	2.6
280.71304	2.2
294.11633	2.9
297.18503	3.3
315.19656	10.0
333.20599	11.0
351.21625	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02994	2.8
52.85023	2.9
53.03940	6.4
55.05511	25.3
57.03439	12.7
57.07066	7.8
65.03928	6.3
65.61508	2.7
67.05503	93.4
69.07069	28.0
71.04999	5.3
71.08617	4.1
71.58211	3.8
74.09737	3.4
79.05491	52.1
81.03424	5.6
81.07059	100.0
83.04974	5.6
83.08627	19.0
85.06554	7.6
89.05999	5.2
91.05482	41.1
93.07046	67.9
95.04962	9.9
95.08613	65.7
97.06554	10.5
97.10186	5.9
105.07037	29.7
105.33981	2.8
107.04954	3.3
107.08595	39.0
109.06541	3.7
109.10155	29.6
110.61768	2.9
111.08070	4.7
117.07036	15.8
119.08574	32.0
121.06559	3.5
121.10139	32.8
123.11709	14.9
129.07018	6.3
131.08566	23.1
133.06490	5.3
133.10138	24.8
135.08133	4.2
135.11694	22.2
137.13197	3.1
139.11169	4.4
143.08571	8.3
145.10144	17.8
145.80171	3.4
147.11696	15.7
149.13255	29.5
157.10133	10.6
159.11633	17.1
161.13280	8.5
169.10185	4.4
171.11530	3.2
173.13289	11.2
177.12688	7.3
185.13388	3.9
187.14789	4.3
195.11578	3.3
195.13782	7.2
199.14844	4.5
235.13260	3.3
243.21118	3.4
261.22165	20.3
267.15921	5.8
269.17508	28.8
305.24802	3.3
317.24594	4.2
335.25739	28.4
437.34146	8.7
455.35217	10.0
473.36197	6.1
497.15552	4.1
503.37427	3.4
529.38824	60.2
547.39948	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
53.08994	1.0
55.01867	3.5
55.05515	21.7
57.03440	6.5
57.07078	17.5
58.00830	1.0
58.68725	1.1
65.03944	2.9
66.15224	0.9
67.05507	62.7
68.10909	1.0
69.03423	2.9
69.07074	17.1
69.52107	1.8
69.52507	6.6
71.04993	4.2
71.08321	1.2
71.08640	11.8
79.05493	32.9
80.67254	0.8
81.03038	0.7
81.03420	34.4
81.07061	64.2
83.04980	6.4
83.08623	21.7
85.02918	11.6
85.06553	2.0
85.10191	6.3
91.05482	27.7
93.07047	27.7
95.04973	33.9
95.08610	39.2
97.02911	0.9
97.06546	4.0
97.10164	10.5
98.20667	1.0
99.08099	1.9
103.05494	1.5
105.07033	21.1
107.04965	5.4
107.08601	15.6
109.02892	2.6
109.06532	4.3
109.10161	14.7
111.04456	1.8
111.08109	6.4
112.64204	1.0
115.05392	1.1
116.06125	1.2
117.07032	5.4
119.08580	15.6
121.06538	2.9
121.10148	11.9
123.04431	16.2
123.08086	2.3
123.11716	8.3
125.09666	1.8
127.11198	1.0
128.06247	1.3
129.07002	7.1
131.04935	1.3
131.08565	9.8
133.06522	1.8
133.10149	10.2
135.08070	1.6
135.11667	7.5
136.49161	1.0
137.06061	1.2
137.09576	1.1
137.13263	2.8
143.08549	1.6
145.10120	7.1
147.08086	3.0
147.11720	9.7
149.09642	3.4
149.13277	2.8
153.09151	2.2
153.12752	1.1
155.08554	1.6
157.10179	6.6
161.13281	2.9
163.11211	8.3
163.14870	2.0
165.12823	1.4
171.11725	2.4
173.09650	3.5
173.13303	1.0
175.11179	6.7
175.14882	2.6
189.12709	1.9
191.10623	1.0
193.12248	28.1
207.13838	3.9
211.13301	25.4
217.12297	2.4
223.13397	1.2
230.20952	0.9
235.13298	22.3
239.23758	4.2
253.14360	1.6
260.48935	1.1
263.23767	2.8
267.15952	4.6
291.16138	2.3
303.27060	1.5
319.26422	1.7
337.27441	3.6
365.66766	1.0
447.38922	1.1
455.35071	1.9
465.55353	1.0
473.36050	1.2
529.39185	6.9
531.56055	1.1
547.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.04162	1.0
55.01868	4.2
55.05261	1.6
55.05513	22.9
57.03443	7.4
57.07074	15.3
59.04966	1.6
65.03939	3.1
67.05509	73.4
68.05855	1.2
69.03417	2.4
69.07071	18.8
71.04990	4.5
71.08637	11.3
71.58015	1.5
77.03970	1.4
79.05497	35.3
81.03421	40.9
81.07059	70.9
83.04990	7.5
83.08627	19.6
85.02910	14.8
85.06543	1.5
85.10180	6.6
86.76618	0.9
91.05482	33.0
93.07048	29.3
95.04975	32.5
95.08612	44.6
97.02917	1.4
97.06531	4.3
97.10173	9.5
98.21154	1.0
103.05444	1.2
105.04527	1.1
105.07037	20.4
107.04969	6.4
107.08602	16.8
109.02902	2.8
109.06510	3.3
109.10157	20.5
111.04437	1.6
111.08089	7.7
115.05453	1.3
117.07039	5.0
119.08584	21.4
121.06516	3.5
121.10145	13.2
123.04440	14.0
123.08092	3.0
123.11699	6.7
125.09674	2.9
128.06241	1.2
129.07021	7.5
131.08577	8.4
133.06520	2.1
133.10138	11.1
135.08051	2.0
135.11676	6.1
137.06026	1.6
137.09598	1.3
137.13254	3.4
142.07774	1.9
143.08582	2.3
145.06409	1.4
145.10110	9.0
147.08041	3.3
147.11703	10.5
149.09680	3.3
149.13312	2.4
151.11195	1.6
151.14792	1.4
153.09206	1.5
155.08650	1.6
157.10094	6.9
159.11691	1.3
160.87950	1.1
161.13304	3.0
163.11195	8.5
163.14862	1.6
165.12808	1.6
173.09642	1.8
173.13235	1.1
175.11224	8.6
175.14803	2.5
181.10233	1.1
189.12712	2.8
191.10733	1.5
193.12259	29.2
207.13831	3.8
211.13307	30.4
217.12263	1.8
227.12717	1.0
235.13310	17.8
239.23706	3.2
245.22699	1.6
263.23767	5.5
267.15948	5.6
270.54395	1.1
273.15173	1.1
319.26151	1.5
337.27277	4.9
455.35294	3.1
473.36069	1.8
529.39056	10.2
547.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01867	5.1
55.05262	1.7
55.05509	23.3
57.03435	7.6
57.07077	8.5
61.53315	0.9
65.03938	5.4
67.05504	71.0
69.03425	2.5
69.07069	18.9
69.47618	3.4
69.48045	3.7
71.04984	5.1
71.08627	5.4
79.05490	37.0
81.03419	38.9
81.07057	72.7
83.04977	6.2
83.05395	1.0
83.08134	1.4
83.08617	22.6
83.29713	0.9
85.02904	16.8
85.06528	2.5
85.08041	1.2
85.10180	2.3
91.05483	32.6
93.07046	32.1
95.04971	24.0
95.08607	48.1
97.02865	1.2
97.06543	4.3
97.10170	8.8
98.20874	2.4
99.08085	2.0
105.04527	1.1
105.07031	24.1
107.04974	6.1
107.08590	16.8
109.06526	3.6
109.10156	19.4
111.04471	2.1
111.08076	8.2
111.11715	1.6
115.05476	1.1
117.07043	3.3
119.08579	23.1
121.06535	2.4
121.10144	15.7
123.04445	4.2
123.08083	1.3
123.11713	9.7
125.09637	3.0
125.31039	0.9
129.06985	7.9
131.08569	11.7
133.06512	1.5
133.10135	9.7
135.08073	1.9
135.11670	5.1
137.09636	2.6
137.13249	2.9
142.07832	1.9
143.08577	2.3
145.10103	5.9
147.08090	1.5
147.11688	11.7
149.09615	4.3
149.13258	2.3
151.14780	1.4
155.08479	1.3
157.10121	6.9
159.11790	1.2
161.13281	2.1
163.11203	4.2
163.14769	3.1
165.12787	3.4
171.11705	3.0
173.09593	1.2
173.13203	1.6
175.11191	9.8
175.14792	2.5
185.13348	1.3
189.11201	2.4
189.16455	1.3
193.12254	35.0
201.16479	1.1
211.13293	38.5
217.12352	2.4
227.12767	1.3
235.13292	9.1
239.23627	1.6
245.22740	2.5
263.23746	4.3
267.15909	6.6
303.26843	1.1
337.27267	6.0
364.40323	1.0
396.78180	1.1
432.37790	1.0
434.89566	1.1
437.34048	2.7
455.35349	5.4
473.36493	1.7
529.38910	15.9
547.39954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3631
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
51.10443	4.8
53.03938	9.7
55.01870	6.5
55.05503	22.4
57.03435	6.2
57.07069	9.3
62.62428	5.3
67.05507	74.6
69.03425	6.9
69.07071	27.9
69.23164	8.8
69.23564	52.0
73.02913	8.2
79.05502	42.1
81.03410	20.1
81.07066	71.2
83.04978	24.7
83.08601	15.6
85.02905	13.6
91.05483	51.2
92.50781	5.3
93.07050	58.7
94.26791	5.6
95.04964	20.8
95.08611	73.3
97.02906	9.0
97.06509	9.1
97.10170	11.0
98.21122	26.2
99.08109	5.3
102.18671	6.2
105.07040	77.7
107.04947	13.7
107.08603	75.9
109.02866	9.8
109.06532	11.7
109.10159	55.2
111.08070	6.3
115.05482	6.1
116.43970	5.7
117.07004	14.9
119.08590	100.0
121.06551	7.8
121.10148	58.8
123.08070	7.3
123.11715	21.9
125.09664	27.6
129.06989	9.6
131.08582	39.6
133.06534	7.4
133.10132	56.2
135.11725	28.4
138.29817	5.3
143.08562	18.4
145.06508	9.2
145.10118	71.0
147.08003	8.7
147.11661	30.3
149.09561	5.4
149.13249	15.6
151.11113	9.8
155.08571	7.5
157.10124	19.1
159.11694	45.2
161.05960	9.0
161.13248	20.6
163.11160	7.6
163.14819	9.8
166.50410	5.7
169.10126	9.3
170.10893	6.5
171.11694	21.8
173.06047	6.8
173.11894	7.9
173.13275	32.9
175.14851	26.0
177.16472	8.5
183.11684	17.0
185.13232	30.7
187.14844	54.0
189.05438	9.7
189.16393	19.9
191.18048	6.7
193.15907	5.4
197.13242	16.5
199.14825	43.5
201.16438	30.0
203.14323	17.8
205.12323	5.2
205.15860	19.7
209.13313	8.4
211.14908	20.3
213.16405	38.6
215.18048	7.9
217.15973	11.5
219.13907	5.9
219.17442	18.1
225.16447	8.9
231.17349	6.8
233.12848	4.9
233.15385	12.3
241.19490	9.0
245.15338	16.7
247.16852	6.0
249.14713	11.0
253.19519	7.9
267.21115	9.3
273.14807	9.1
287.20297	6.7
301.14435	27.1
387.30280	7.1
405.31558	51.1
407.33041	28.9
411.87900	6.6
423.32547	13.2
426.58035	7.8
433.31049	27.1
451.32007	46.7
469.33115	43.6
529.27686	14.2
547.28491	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01887	9.9
55.05511	18.2
57.03434	11.7
57.07072	2.8
65.03935	4.0
67.05506	74.7
69.03434	4.1
69.06715	1.9
69.07070	20.3
69.75460	10.8
71.04989	8.7
71.19438	1.7
78.16594	1.8
79.05055	3.3
79.05492	46.6
79.13444	1.6
81.03403	4.3
81.07059	74.5
83.04982	10.3
83.08602	7.7
85.06534	8.2
91.05482	75.6
92.46362	1.9
93.07047	53.6
95.04968	8.6
95.08614	24.6
97.06515	7.0
97.10165	3.9
98.21133	5.2
99.04440	2.9
103.05495	2.6
105.07030	91.3
107.04975	3.4
107.07870	2.1
107.08599	59.1
109.06505	6.5
109.10159	72.2
110.64061	1.7
111.08066	3.4
113.05992	3.5
117.07019	13.1
119.08582	41.7
121.06488	2.0
121.10132	19.0
121.50645	2.0
123.08076	2.9
123.11709	9.2
125.09602	3.0
127.07581	3.8
129.06979	7.3
131.08569	17.1
133.06471	2.0
133.10132	100.0
135.11688	17.1
137.33931	1.6
140.66241	1.8
143.08559	7.1
145.10115	16.6
147.11688	37.3
149.09610	2.4
149.13249	7.2
151.11189	43.4
157.10094	8.4
159.11710	15.8
161.09573	2.9
161.13271	36.5
162.48921	1.8
163.14897	2.1
165.12701	2.1
167.77666	1.8
169.10170	2.6
169.12268	11.9
171.11734	11.1
173.13281	8.9
174.05417	1.8
175.14859	17.7
179.10695	3.6
183.11578	1.9
185.13260	9.6
187.14778	4.5
191.14288	2.5
199.14813	4.3
213.16328	2.0
215.12859	4.8
215.17921	2.6
231.21080	7.7
241.19510	38.0
244.10043	1.9
253.14359	87.1
259.20569	61.2
260.20966	2.6
271.15402	53.1
277.21530	6.8
315.23251	6.9
333.24225	39.2
351.25192	2.9
455.31253	4.3
500.96881	2.5
510.90027	1.9
511.34177	9.8
529.35333	25.5
547.37451	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
54.97855	1.8
55.01867	5.9
55.05517	34.7
57.03435	10.8
57.07067	3.2
65.03935	3.7
67.05505	80.0
69.03423	3.1
69.07071	27.6
69.46532	16.0
71.04984	6.7
79.05055	3.6
79.05498	60.5
81.03430	8.9
81.07061	83.1
82.07388	2.4
83.04974	6.2
83.08605	18.4
85.06545	4.3
91.05486	54.7
93.07050	59.4
95.04975	14.8
95.08612	47.6
97.06532	5.8
97.10170	12.5
98.21091	8.8
99.08082	3.9
105.04554	2.6
105.07035	52.7
107.04963	2.9
107.08598	39.4
109.06535	3.6
109.10154	21.3
111.08096	5.7
115.05490	3.4
117.07014	20.8
119.08591	47.3
121.06519	4.9
121.10157	30.1
123.08097	5.9
123.11720	8.1
125.09653	7.1
128.06256	3.6
129.07014	18.1
131.08575	40.9
133.06529	2.2
133.10132	37.6
133.11075	2.8
135.08058	3.8
135.11678	15.4
137.09595	4.7
138.82570	2.2
139.11192	4.3
141.06992	3.7
142.07799	5.7
143.08556	21.1
144.09300	2.1
145.10138	43.0
147.08084	3.4
147.11691	28.5
149.09622	5.1
149.13260	14.9
155.08586	10.2
155.09732	1.8
157.10143	21.2
158.46849	2.3
159.08054	2.5
159.11711	35.2
161.09593	3.1
161.13258	22.8
163.11301	4.6
163.14871	2.9
165.12816	3.2
169.10152	11.1
171.11694	24.6
173.11896	3.2
173.13268	22.5
175.11298	2.9
175.14851	9.2
177.12796	4.1
181.10165	5.8
183.11711	13.3
185.13278	16.9
187.11150	2.1
187.14810	11.9
189.11240	2.6
189.12820	2.6
189.16443	2.4
193.12309	4.3
195.11824	5.0
195.13818	4.6
197.13281	11.4
199.14873	8.7
201.12788	3.2
201.16481	3.6
209.13319	5.7
211.14871	5.3
213.12695	2.2
213.16406	5.8
221.13091	2.6
223.14879	5.0
225.16373	3.9
227.12807	3.0
235.14737	2.1
241.19598	16.2
257.19165	3.2
259.20569	24.7
261.22278	5.6
267.15857	12.6
269.17337	19.1
273.08307	2.2
285.22305	4.1
287.20355	2.7
297.22125	3.4
299.23785	3.2
301.25281	5.3
303.23105	3.8
304.82657	2.2
313.25232	2.6
315.23260	5.0
327.23297	3.0
329.24826	2.9
333.24203	12.5
335.26013	3.8
337.25287	2.3
359.25446	2.4
371.08832	2.3
407.33182	4.3
417.31601	4.8
423.32813	4.6
425.34323	9.4
435.32639	25.7
443.35242	2.6
453.33792	21.5
461.36462	2.8
471.34695	23.1
497.36343	4.3
499.37781	6.5
509.36371	7.1
517.38782	26.3
527.37378	100.0
528.37750	4.8
545.38434	76.0
546.38800	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	546.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01875	0.8
55.05499	0.6
60.38266	0.3
62.27943	0.3
64.50211	0.4
69.03430	3.5
70.72511	0.9
71.04997	6.8
73.82971	0.3
78.26059	0.4
79.05486	1.6
81.03426	3.7
81.07042	1.4
85.02897	1.1
88.29861	0.4
91.05481	3.9
93.07040	2.6
93.69157	0.4
95.04983	0.7
95.08598	2.0
97.02892	2.5
99.04460	18.5
103.05466	0.4
104.04995	1.0
105.07036	35.8
107.04916	0.4
107.08584	1.3
109.02872	1.2
109.06497	0.9
109.10149	0.5
115.05442	0.4
117.07021	0.8
119.04951	0.6
119.08586	2.6
121.06501	1.9
121.10151	1.1
122.06021	1.0
123.07452	0.3
123.08089	3.5
123.11728	0.7
127.03912	1.6
128.06200	1.0
131.08571	1.5
132.04469	7.2
133.06485	4.1
133.10135	22.0
135.11662	0.5
143.08556	2.2
145.06558	0.5
145.10110	2.2
146.07266	1.5
149.09607	0.5
151.07535	2.1
151.11198	1.0
159.08109	0.9
161.09627	42.6
163.11203	8.5
167.03407	0.4
171.08025	0.7
178.05002	100.0
179.05370	1.2
179.10680	19.7
189.09109	5.9
207.10165	6.0
209.49957	0.4
225.11118	0.5
235.78308	0.4
257.11771	0.8
259.13379	0.4
269.11792	0.4
287.12726	1.0
305.13736	1.3
323.14886	0.7
333.13214	0.8
340.10269	1.6
351.14386	4.4
369.15421	5.7
428.43985	0.4
522.07080	0.4
546.19714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	0.3
55.05504	0.6
57.03442	0.2
57.07082	0.3
64.93398	0.2
67.05505	1.1
69.03430	1.7
69.07069	0.4
69.85569	1.0
71.04996	1.8
71.06905	0.2
75.17350	0.2
79.05500	1.4
81.03426	2.1
81.07056	1.1
83.08616	0.2
85.02896	0.7
91.05482	2.4
92.17442	0.2
93.07050	1.6
94.06551	0.3
95.04958	0.7
95.08595	0.9
96.08954	0.3
97.02914	1.3
98.20943	0.6
98.21543	0.2
99.03824	0.3
99.04457	4.7
103.05492	0.3
104.04971	1.1
105.03407	0.2
105.07033	14.7
105.24398	0.2
106.07327	0.3
107.04938	0.3
107.08602	2.1
109.02871	0.6
109.06527	0.7
109.10145	0.5
115.05420	0.3
117.07038	0.3
119.04980	0.2
119.08594	1.2
121.06495	0.8
121.10139	0.6
122.06013	0.6
123.08098	1.1
123.11732	0.2
125.09596	0.2
127.03897	1.5
128.06213	0.4
129.07022	0.2
131.08566	0.6
132.04463	6.1
133.06502	1.4
133.10135	9.7
135.11676	0.5
137.06020	0.3
143.08589	1.0
145.06436	0.4
145.10152	1.1
146.07236	0.6
147.08105	0.3
151.07535	1.2
151.11151	0.3
159.08145	0.2
161.09625	12.8
163.11194	3.7
169.10081	0.2
171.07999	0.3
175.11206	0.2
178.04999	100.0
179.05397	1.2
179.10666	4.3
187.11081	0.2
187.14751	0.2
189.09114	2.8
207.10149	1.7
241.12096	0.2
287.12717	0.2
305.13937	0.4
323.14780	0.5
332.06876	0.2
333.13403	0.6
340.10181	0.4
349.23969	0.2
351.14450	2.1
369.15421	0.8
528.70593	0.2
546.19489	0.6
546.27112	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01876	13.1
55.05510	41.6
57.03441	35.9
58.55935	3.8
59.05022	4.7
67.05504	63.9
69.03429	45.8
69.07065	16.8
71.05003	4.8
71.58261	3.6
73.02918	8.7
79.05486	56.6
81.03416	83.8
81.07057	60.5
82.04190	6.0
83.04971	34.6
83.08623	31.5
85.02903	47.5
85.06527	8.1
87.04469	23.1
91.05479	59.9
91.06012	5.7
93.07040	44.6
95.01284	3.4
95.04966	44.1
95.08601	25.4
96.05760	3.5
97.02881	35.7
97.06540	12.8
97.10159	18.6
98.07291	4.3
105.07034	43.8
107.04965	21.2
107.08584	25.9
109.06522	11.4
109.10166	12.7
111.04441	7.1
111.08106	19.0
112.03426	3.2
115.03925	31.6
115.05398	5.8
116.04726	16.8
117.07034	8.7
119.08573	36.1
121.06457	6.7
121.10149	21.0
123.08054	7.2
123.11713	7.5
125.09650	18.8
127.03916	4.8
129.05493	38.1
129.06970	18.5
131.08583	21.4
131.85757	4.1
133.04973	32.0
133.06511	5.8
133.10149	26.4
135.08055	7.2
135.11679	10.5
137.09605	5.6
142.07793	5.2
143.07025	5.2
145.10153	13.2
147.04420	4.9
147.08046	4.2
147.11665	26.6
149.09586	12.5
149.92101	3.8
157.08627	16.9
157.10161	22.3
159.11703	5.1
161.09644	4.8
161.13275	7.7
163.11142	4.9
165.12798	4.0
168.84131	4.3
171.10211	4.2
173.09506	3.7
175.11192	24.6
178.05066	3.9
188.93584	4.0
189.11171	10.2
189.16388	4.0
193.12253	71.4
199.13315	9.9
209.11708	5.9
211.13312	100.0
217.19432	3.4
227.12813	12.6
235.16902	10.7
259.16766	4.5
267.15903	30.7
275.82208	3.5
285.16949	72.7
301.16449	80.8
405.29718	5.3
459.27484	3.9
493.28043	7.1
494.28806	5.0
511.29114	34.3
528.30414	6.2
546.31311	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	547.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01867	0.5
55.05501	1.3
55.80064	0.4
67.05493	2.2
69.03424	1.7
69.07053	0.9
71.04975	0.4
78.04723	0.7
79.05486	1.7
81.03423	2.3
81.07067	2.2
83.04988	0.9
83.08607	0.5
85.02891	1.1
85.06554	0.7
89.03922	5.3
91.05470	2.1
93.07038	1.7
95.04978	0.7
95.08596	1.0
97.02863	0.5
103.05431	0.6
105.07033	3.4
106.04185	0.5
107.04977	0.7
107.08595	4.0
109.02876	1.5
109.06505	1.0
109.10164	2.1
117.03391	18.1
117.07023	0.5
119.08559	1.3
121.06524	0.8
121.10157	2.2
122.07292	1.3
123.08096	0.5
127.03927	0.7
130.07640	0.4
131.08534	1.0
133.06497	0.8
133.10139	15.5
134.03595	1.2
135.04440	1.1
135.08029	1.1
135.11734	0.7
137.09630	7.8
145.02853	43.6
145.10083	1.0
149.05997	6.1
149.13249	1.6
153.01825	0.7
157.42517	0.5
161.09579	0.9
163.11203	0.5
167.06972	0.7
173.13266	0.8
177.05479	100.0
178.04863	3.1
179.05362	2.1
184.62735	0.5
186.05499	0.5
189.05484	0.7
191.14278	4.8
195.06531	1.4
272.69077	0.4
275.39426	0.4
293.39038	0.5
301.10730	0.6
301.14313	1.1
321.09674	3.6
339.10788	5.0
415.10016	1.5
533.66968	0.5
547.32959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03944	7.8
55.01865	4.6
55.05510	29.1
57.03439	11.0
57.07069	3.2
65.03928	4.4
67.05505	71.9
69.03432	3.7
69.07068	18.7
71.04996	7.6
71.08609	1.3
79.05495	67.9
81.03420	45.4
81.03902	1.4
81.07058	65.6
83.04980	12.1
83.08625	23.0
85.02905	21.2
85.03426	1.2
85.06557	2.5
91.05481	57.7
93.07044	61.2
95.04357	1.6
95.04971	27.4
95.08605	41.4
97.02919	1.8
97.06542	6.4
97.10163	9.8
98.20644	1.4
98.21332	4.7
99.08111	2.6
103.05453	1.3
103.10613	1.0
105.04540	2.3
105.07033	36.8
107.04963	5.5
107.07861	1.9
107.08591	31.6
109.06540	5.7
109.10151	17.5
111.04488	2.5
111.08070	8.9
113.06024	2.2
115.05483	3.0
116.06324	0.9
116.50440	0.8
117.07015	10.1
119.08585	28.7
121.06533	1.9
121.10146	29.0
123.08086	3.0
123.11728	5.9
125.09608	5.1
128.06218	1.2
129.07007	11.5
130.82155	1.0
131.08566	23.3
131.09508	1.6
133.06491	2.7
133.10144	18.1
135.08078	2.2
135.11702	13.6
137.09651	2.7
137.13269	1.3
141.06978	1.8
142.07834	2.3
143.08600	4.0
145.10136	12.8
147.08116	2.9
147.11690	19.5
149.09587	5.7
149.13251	5.3
151.11183	1.8
155.08572	1.5
157.10132	15.1
159.11693	9.5
161.13264	5.4
163.11198	2.3
163.14871	2.0
165.12779	2.3
169.10161	2.5
171.11763	2.9
173.09535	1.0
173.13271	6.5
174.10860	1.0
175.11189	13.0
175.14832	2.8
177.16469	1.0
179.14359	1.1
183.11717	1.9
185.13249	1.6
187.14885	1.9
187.36873	0.9
189.11287	3.1
193.12241	49.3
195.11678	1.5
197.13329	1.9
201.16377	1.6
211.13290	53.1
227.12779	3.0
243.21216	2.2
261.22174	8.0
267.15948	7.7
273.22095	1.2
283.24133	1.0
285.22156	1.7
299.23627	1.7
301.25278	5.6
303.23291	1.1
317.24719	1.6
330.58267	1.2
335.26007	4.5
359.25964	1.1
377.54233	1.1
435.32629	3.2
436.33029	1.2
453.33551	4.6
471.34763	3.8
509.36160	1.4
527.37341	19.8
527.45349	1.0
545.38416	100.0
546.38940	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.2
53.03944	7.4
55.01851	3.8
55.05515	29.4
57.03441	9.3
57.07067	2.0
65.03931	3.8
67.05508	65.5
68.49473	1.6
69.03426	5.5
69.07079	15.8
69.74359	6.3
71.04984	7.1
77.03860	2.0
79.05494	62.4
79.71095	1.6
81.03421	54.5
81.07062	62.8
83.04996	9.9
83.08621	21.8
85.02904	24.8
85.06537	2.7
91.05490	49.3
93.07051	60.3
95.04967	24.5
95.08611	41.7
97.02903	1.7
97.06540	4.8
97.10185	9.3
98.21450	1.8
105.07037	37.7
105.07761	2.1
107.04945	5.4
107.08603	28.7
109.06512	5.4
109.10155	16.3
111.08102	7.7
113.06005	2.5
115.05531	2.3
117.07023	13.0
119.08588	29.3
121.06551	2.8
121.10159	28.5
123.08106	3.9
123.11710	5.7
125.06022	2.0
125.09637	4.2
129.07004	11.2
130.07834	1.7
131.08575	25.3
131.09520	2.4
133.06541	2.8
133.10155	15.8
135.11688	13.6
137.09625	3.5
141.76678	1.8
143.08592	5.1
145.10138	12.7
147.08037	2.0
147.11681	20.0
149.09641	5.9
149.13310	6.1
155.08566	3.5
157.10129	14.0
159.11703	11.0
161.13300	5.0
164.44328	1.6
165.12787	2.9
169.10170	4.1
171.11670	4.0
172.84822	1.9
173.13266	5.9
175.11163	11.6
175.14886	2.4
185.13239	3.0
187.14824	3.4
189.11217	2.8
193.12263	45.6
195.13890	2.0
197.13356	2.0
201.16435	3.3
211.13277	48.4
211.15210	2.9
227.12843	5.4
243.21091	3.2
249.14900	1.6
261.22287	6.6
267.15973	7.0
285.22150	2.3
301.25317	5.7
332.66193	1.8
335.25839	4.6
359.25977	1.8
417.31485	2.0
435.32529	6.5
453.33597	7.6
471.34900	3.5
527.37347	23.2
545.38409	100.0
546.38574	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
53.03939	9.7
55.01876	7.1
55.05511	31.4
57.03441	11.3
57.07092	3.0
63.60089	1.2
65.03938	5.0
67.05504	72.1
69.03426	5.5
69.07069	20.8
71.04994	7.0
71.08652	1.2
77.03953	1.2
79.05493	74.9
81.03419	46.8
81.03908	1.8
81.07059	76.1
83.04972	12.7
83.08616	23.0
85.02901	23.8
85.06555	4.8
90.99836	1.1
91.05480	61.9
93.07043	63.7
95.04967	28.7
95.08606	45.4
97.02863	1.7
97.06535	6.4
97.10158	10.8
98.20704	2.7
98.21384	6.3
98.79417	1.3
99.08121	1.5
103.05470	2.1
105.04516	2.4
105.07034	36.9
107.04948	6.3
107.08599	33.9
107.09288	2.4
109.06516	6.6
109.10162	17.3
111.04473	2.3
111.08074	10.8
115.05505	2.4
117.07005	13.6
119.08575	31.2
121.06508	2.7
121.10147	30.7
123.08092	5.2
123.11693	6.3
125.09629	6.7
128.06294	1.5
129.06989	13.0
131.08565	25.5
133.06517	2.6
133.10136	20.0
135.08066	2.5
135.11696	17.3
137.09657	2.6
137.13286	1.7
141.06999	1.9
142.07845	3.1
143.08607	5.7
145.06479	1.4
145.10152	14.6
147.08075	4.0
147.11700	18.1
149.09654	5.2
149.13312	7.7
151.11169	2.6
155.08562	2.8
157.10155	13.4
159.11690	10.8
161.13316	6.4
163.11247	2.3
163.14841	1.8
165.12788	5.0
167.08656	1.5
169.10103	2.6
171.11716	3.6
173.09622	1.4
173.13315	4.9
175.11214	11.5
175.14859	3.3
177.16501	1.2
179.14397	2.3
181.10062	1.7
183.11732	2.8
185.13297	2.8
187.14835	4.2
189.11284	2.4
193.12245	45.9
197.13362	2.7
199.14917	1.6
209.13287	1.5
211.13275	46.3
221.96156	1.5
227.12827	4.0
229.41896	1.5
233.15431	1.6
243.21184	1.4
259.20654	1.9
261.22162	6.8
267.16006	7.9
273.18515	2.2
285.22156	2.5
291.19617	4.0
299.23676	1.5
301.25339	6.4
317.24881	1.7
333.24496	1.9
335.25867	5.5
359.26028	1.4
404.13297	1.7
407.28455	1.7
411.89883	1.4
435.32709	5.7
453.33676	5.7
471.34656	3.4
471.45740	1.3
509.36255	1.5
527.37341	24.9
545.38428	100.0
546.39124	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.0
55.01880	3.8
55.05513	28.5
55.41656	1.4
57.03439	10.2
57.07077	2.6
65.03932	5.1
67.05506	61.4
69.03422	4.8
69.07064	14.7
69.24543	1.4
69.81982	7.5
71.04992	6.7
71.08599	1.5
79.05495	58.8
79.05956	2.9
81.03419	40.4
81.07060	61.1
83.04969	8.6
83.08624	24.0
85.02909	17.6
85.06541	2.5
91.04903	2.1
91.05481	47.1
93.07046	57.6
94.94219	1.4
95.04966	23.6
95.08607	34.3
97.02917	1.9
97.06525	6.0
97.10167	11.3
98.20908	3.1
98.21471	1.9
105.07026	36.3
107.04958	4.2
107.08600	24.8
109.06535	4.3
109.10168	18.0
111.08087	10.8
115.05442	1.8
117.07027	11.1
119.08585	28.1
121.06525	3.7
121.10146	23.6
123.08077	3.5
123.11718	5.5
125.09640	4.5
129.07013	10.4
131.08571	25.5
133.06488	3.1
133.10129	21.4
135.08063	2.8
135.11691	12.1
137.06036	1.4
137.09599	2.5
142.07822	1.6
143.08571	4.3
145.10123	13.9
147.08070	1.7
147.11688	17.8
149.09633	3.7
149.13272	6.1
155.08601	2.3
157.10124	11.5
159.10428	1.5
159.11649	9.4
161.13295	6.6
163.14836	1.8
165.12787	1.8
169.10188	3.2
171.11632	3.5
173.13290	5.6
175.11180	9.5
175.14819	2.1
183.11691	3.5
185.13235	3.4
187.14871	3.2
189.11215	3.8
193.12244	43.2
201.16377	1.7
211.13278	43.5
227.12798	5.3
243.21210	1.9
261.22141	6.9
267.15948	7.2
285.22159	2.3
301.25256	8.6
303.23550	1.8
317.25104	1.7
335.25879	4.6
359.25958	2.2
435.32764	6.8
453.33615	7.5
471.34753	3.3
509.36594	2.5
527.37360	24.6
545.38354	100.0
546.38715	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01874	4.4
55.05257	2.5
55.05511	32.6
57.03448	7.3
57.07079	2.7
59.04991	1.7
65.03933	3.9
65.45128	1.3
67.05505	66.0
69.03429	3.4
69.06715	2.0
69.07068	17.6
69.30157	1.3
69.64783	9.8
71.04996	5.4
79.05495	46.6
79.05956	2.2
81.03419	28.1
81.07059	66.3
83.04985	5.2
83.08621	19.6
85.02922	4.4
85.06548	4.1
91.05483	38.3
93.07046	45.6
95.04977	19.8
95.08608	42.6
97.06518	6.0
97.10172	23.7
98.20920	4.9
98.21498	1.8
99.08084	1.9
101.05959	1.6
101.97931	1.6
105.07034	36.3
107.04951	6.5
107.08595	32.7
109.06519	5.9
109.10152	24.2
111.04411	1.7
111.08086	6.3
115.05450	2.0
117.07017	15.4
119.08582	30.6
121.06506	8.0
121.10140	22.5
123.08044	4.5
123.11716	9.0
125.09614	12.8
129.07011	10.7
130.07787	1.6
131.08559	24.2
133.06512	1.7
133.10124	22.2
135.08070	8.9
135.11696	14.7
137.09601	2.9
137.13281	2.3
142.07803	3.0
143.08554	8.8
145.10121	21.4
147.08081	4.2
147.11678	13.0
149.09631	4.7
149.13275	8.1
151.11174	1.7
153.09138	1.7
155.08568	4.0
157.10150	11.8
159.08063	2.4
159.11676	14.3
161.09644	2.8
161.13190	7.6
163.11150	4.0
163.14870	3.6
165.12807	2.3
169.10165	5.2
171.10364	1.5
171.11743	4.7
173.09691	2.0
173.12001	1.8
173.13216	8.4
175.11220	5.8
175.14847	3.6
177.12756	1.7
179.14363	1.7
181.10170	2.5
183.11734	3.4
185.13309	4.3
187.11272	2.1
187.14865	6.1
189.11253	8.5
189.12810	2.7
189.16425	2.0
193.12230	14.0
195.11702	2.3
197.13318	4.8
199.14836	3.6
201.16368	1.6
205.12645	1.4
209.13309	2.6
211.11493	1.7
211.13326	6.7
219.17664	2.2
227.12762	13.6
233.15530	1.7
243.21143	4.5
261.22064	11.5
267.15872	19.3
279.23376	2.0
285.22076	3.2
299.23700	3.0
301.25253	21.5
303.23080	2.3
315.23361	2.0
317.24838	2.6
327.23276	1.8
335.25766	13.7
341.24725	1.8
345.37149	1.4
359.25580	1.8
421.25928	3.5
425.34225	2.8
435.32568	8.3
437.34854	1.5
453.33594	12.7
471.34750	11.4
509.36298	3.6
527.37262	48.0
545.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.89287	0.4
55.01858	1.7
55.54336	0.4
57.03421	0.4
57.07064	1.3
60.83208	0.4
67.05494	1.4
69.07061	5.0
71.55865	0.7
79.05496	5.1
81.07042	0.9
85.06533	0.6
93.07037	1.6
95.04935	0.4
95.08672	0.5
97.06530	30.0
98.06844	1.4
98.21219	0.4
120.56376	0.3
121.06483	0.6
129.18941	0.4
138.06714	0.4
139.07509	1.2
139.36855	0.4
149.05959	1.8
166.06239	0.5
167.07039	18.4
168.07329	1.1
173.65662	0.4
191.10696	0.5
195.20352	0.4
219.10231	1.0
251.12933	0.5
263.12778	100.0
264.13129	6.8
447.34207	1.0
543.40082	7.0
543.53302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
63.24549	0.4
67.05498	0.6
69.03438	2.8
70.02116	0.4
70.91753	0.8
71.04993	0.4
79.01851	2.6
79.05477	1.7
81.03413	4.7
81.07049	1.0
85.02899	4.4
91.05496	0.9
92.30493	0.4
93.07050	3.5
95.08624	1.0
97.02901	3.0
107.01321	2.2
107.08595	0.8
107.37749	0.4
109.02869	5.4
117.06985	0.5
119.08601	0.6
125.02338	2.8
127.03922	7.3
133.10135	0.7
135.11659	3.3
143.03407	5.0
145.04985	0.6
149.09561	0.5
149.13257	0.9
153.01828	100.0
154.02170	0.5
170.04649	0.5
171.02890	11.5
177.12714	2.4
195.13817	3.5
223.67741	0.4
247.54633	0.4
279.04962	1.1
297.06012	3.5
315.07098	19.6
503.61664	0.5
544.31348	1.0
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
53.03948	7.3
55.01873	9.0
55.05512	41.0
57.03428	11.8
57.07061	4.5
59.04994	2.3
65.03954	4.1
67.05508	88.0
69.03428	7.9
69.07070	26.3
69.31532	2.4
69.31858	18.1
71.05001	7.0
71.08626	2.7
79.05495	56.0
81.03426	22.1
81.07059	78.8
83.04974	10.9
83.08628	29.7
85.06532	5.9
91.05486	53.4
91.06081	2.4
93.07041	60.7
94.58453	1.9
95.04972	17.2
95.08607	48.4
97.06534	7.5
97.10163	17.1
98.21105	9.0
99.08118	3.6
103.05453	2.6
105.04515	1.9
105.07034	54.5
107.04972	10.3
107.08599	42.3
109.06517	7.5
109.10146	29.2
110.93787	1.8
111.08099	7.1
115.05465	4.0
117.07020	23.9
119.08588	42.6
120.77952	2.1
121.06512	6.5
121.10134	26.4
123.08089	3.2
123.11702	11.2
125.09635	15.1
127.07565	2.3
128.06255	3.8
129.05582	2.8
129.06982	16.0
131.08571	40.3
131.09509	3.0
133.06538	2.0
133.10129	27.5
135.08054	5.7
135.11685	14.8
135.27690	1.9
137.09630	2.7
137.13280	2.3
139.11198	2.4
141.07001	4.4
142.07791	5.2
143.08577	17.3
145.06580	2.7
145.10139	36.9
147.08072	4.7
147.11714	18.7
149.09624	8.2
149.13277	11.6
151.11174	4.6
153.12680	1.9
155.08542	8.9
156.74759	1.8
157.10124	22.7
159.08061	4.4
159.11674	24.6
161.09665	3.7
161.13287	11.7
163.11230	3.3
163.14876	4.6
167.08626	4.1
168.09399	2.0
169.10103	12.0
171.11697	13.4
173.09625	2.2
173.11890	3.0
173.13220	12.6
175.11172	5.5
175.14867	8.1
177.12852	3.0
181.10098	4.0
183.11739	7.0
185.13287	11.7
187.11272	2.9
187.14836	8.1
189.11243	7.2
189.12784	2.6
189.16455	3.6
193.12325	10.4
195.11711	5.0
195.13728	3.4
197.13272	7.9
199.14885	6.6
201.12883	2.2
201.16454	5.2
203.14404	2.5
203.18086	2.6
207.11749	2.8
209.13458	2.6
211.13254	3.1
211.14998	3.8
213.16449	4.5
215.14212	2.2
221.13226	2.2
225.16527	2.2
227.12843	8.4
227.18033	3.0
237.16585	2.3
241.19620	3.9
243.21170	6.3
247.17287	1.9
259.20624	7.8
261.22153	17.3
267.15887	25.3
269.17441	4.0
275.20117	5.4
277.21796	2.5
279.23129	2.7
283.24380	2.3
285.22150	4.4
297.22067	2.2
299.23770	4.4
301.25211	16.3
303.23141	2.8
315.23550	2.5
317.24857	3.0
331.70145	2.0
333.24335	3.8
335.25861	15.6
344.17133	1.9
357.27597	2.5
359.25943	3.8
373.27518	3.3
407.33322	4.4
417.31381	6.4
422.46680	2.0
425.34451	4.6
435.32739	18.0
453.33643	23.2
471.34702	15.7
509.36359	5.2
517.38470	9.2
527.37402	87.5
528.63995	2.0
545.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03946	1.5
55.01873	2.2
55.05259	1.2
55.05514	16.0
57.03438	3.2
57.07073	1.3
65.03931	1.5
67.05511	26.0
69.03429	1.3
69.07072	6.7
69.37103	8.1
71.04983	1.8
72.46130	0.9
73.60519	0.8
79.05506	18.3
81.03426	5.4
81.07066	23.2
83.04979	3.5
83.08621	8.3
85.06528	2.1
91.05484	20.9
93.07054	17.2
95.04958	5.8
95.08615	12.7
97.06516	1.1
97.10170	5.0
98.20778	2.0
98.21438	1.7
99.08122	1.3
105.04522	1.2
105.07044	17.4
107.04965	1.8
107.08604	11.9
109.06529	2.2
109.10155	8.8
111.08119	1.3
115.05482	2.0
117.07030	12.4
119.08593	12.9
121.06509	2.8
121.10124	5.3
123.08029	1.5
123.11714	1.8
125.09658	5.7
127.07638	1.0
128.06291	3.0
129.07011	8.8
130.07707	1.0
131.08571	15.2
133.06544	1.5
133.10139	8.1
135.08070	2.9
135.11693	4.3
137.09665	0.9
141.07004	3.5
142.07811	2.2
143.08577	10.5
145.06445	2.1
145.10129	12.4
147.08080	2.0
147.11731	5.6
149.09671	1.8
154.70229	0.9
155.08585	6.2
157.06488	1.2
157.10156	9.8
159.08022	2.2
159.11679	8.7
161.09631	1.3
161.13290	3.5
163.11197	1.3
167.08614	2.7
169.10135	6.8
171.08095	2.3
171.11673	7.9
173.09599	1.7
173.11855	1.8
173.13324	6.1
175.11179	2.3
175.14854	1.1
177.12802	1.1
179.14302	1.6
181.10147	2.7
183.11742	6.7
185.09598	1.8
185.13287	6.4
187.11226	1.6
187.14865	2.4
189.11241	2.5
189.12747	1.4
193.12314	2.1
195.11763	4.8
197.13280	4.5
199.11243	2.2
199.14893	3.0
201.16386	1.4
207.11800	1.4
209.13263	2.9
211.14874	2.3
215.14339	1.3
223.14853	1.7
227.12762	1.4
227.18025	1.2
229.14264	1.2
237.16527	1.4
241.19586	1.1
259.20663	3.8
267.15979	2.2
275.20123	1.1
283.20721	2.0
293.58249	1.1
297.18900	1.1
297.22198	3.4
299.23773	3.7
301.21701	1.3
315.23267	2.1
321.21994	1.4
327.23459	1.5
333.24332	1.2
339.23285	1.5
415.29971	2.6
423.32510	2.7
433.31161	6.0
445.30331	0.9
451.32089	8.7
469.33368	3.8
487.34412	1.4
499.34045	1.2
507.34818	2.2
515.37158	1.4
525.35754	18.8
526.35950	1.5
531.60846	1.0
543.36835	100.0
544.37048	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.9
51.45042	0.7
53.03943	3.2
55.01879	4.9
55.05510	24.9
57.03432	4.4
57.07084	1.9
59.04989	1.8
65.03930	3.1
67.05504	36.6
69.03418	2.7
69.07069	12.6
70.49167	0.9
70.49503	2.7
71.04990	2.9
79.05494	35.4
81.03426	8.5
81.07058	32.0
81.26279	0.9
83.01342	1.8
83.04977	5.5
83.08620	11.8
85.02885	1.4
85.06547	2.2
91.05484	23.5
93.07050	29.7
95.04971	9.3
95.08608	17.9
97.02879	1.3
97.06538	4.1
97.10176	13.4
98.20862	1.1
105.04544	0.9
105.07037	22.2
107.04935	5.1
107.08604	18.7
108.22297	0.8
109.06509	3.1
109.10151	11.4
111.04460	0.8
111.08080	1.9
115.05461	1.5
117.07024	13.1
119.08575	17.0
119.09348	1.4
121.06495	2.0
121.10156	11.7
123.08086	4.7
123.11703	3.4
125.09628	10.4
128.06235	1.7
129.07021	8.2
130.07719	1.3
131.05020	1.1
131.08563	17.1
133.06532	1.3
133.10135	12.2
135.08055	2.5
135.11697	9.4
137.05978	1.6
137.09628	1.3
139.07413	0.9
141.06961	1.9
142.07796	1.9
143.08575	8.0
145.06517	2.0
145.10115	17.9
147.08069	2.5
147.11690	5.5
148.76141	1.0
149.09653	1.8
149.13258	3.3
153.12730	2.4
155.08551	6.7
157.10121	8.7
159.08025	2.3
159.11714	10.6
161.09676	1.4
161.13272	4.6
163.11203	8.3
163.14911	1.9
167.08549	2.0
169.10172	5.1
170.10921	1.4
171.11676	8.0
173.09677	2.8
173.13286	8.5
175.14836	1.7
179.08694	0.9
181.10132	2.6
181.12228	1.5
183.11726	4.6
185.09705	1.5
185.13293	5.3
187.14764	4.1
189.11186	4.8
189.16402	1.0
191.10670	2.0
193.10370	1.5
193.12161	1.6
195.11728	1.8
197.13280	3.7
199.14827	3.2
201.12744	1.6
201.16365	1.7
207.11725	0.9
209.11720	2.5
209.13434	1.6
211.14915	2.1
213.12907	1.2
215.18207	0.9
221.13229	0.9
223.14816	2.4
225.16469	1.3
227.12683	7.3
239.18025	0.9
241.19582	1.0
243.21205	1.8
249.16466	0.9
259.20642	2.6
261.22183	4.3
267.15952	2.4
275.20203	0.8
281.22552	1.0
283.20520	2.4
299.20398	1.5
299.23697	10.9
301.21564	1.4
317.24701	1.8
333.24167	1.5
339.23306	1.4
343.22705	0.9
423.32681	1.2
433.30908	4.8
451.32034	9.2
469.33163	5.4
487.34055	1.8
507.34683	1.8
515.37146	1.3
525.35724	15.3
543.36804	100.0
544.37286	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01874	4.3
55.05259	1.3
55.05511	17.4
55.92517	0.8
57.03434	4.7
57.07061	1.1
65.03930	2.1
65.05546	1.0
67.05506	29.7
69.03417	2.3
69.07067	9.9
70.48988	1.6
71.04989	2.4
71.08619	0.9
71.21746	0.8
79.05497	21.0
79.64357	0.8
81.03419	7.9
81.07060	27.1
83.04978	2.5
83.08622	9.7
85.06551	2.0
85.87238	0.8
91.05482	22.1
93.07050	18.8
95.04974	5.8
95.08608	14.8
97.06536	3.9
97.10168	9.3
98.21263	1.5
99.08072	1.4
103.05485	1.0
105.07027	19.1
107.04954	3.6
107.08592	11.9
109.06548	2.6
109.10158	10.6
111.08138	1.1
115.05444	2.2
117.07025	12.9
119.04925	1.1
119.08588	12.6
121.06499	2.4
121.10136	7.8
123.08076	2.4
123.11719	2.7
125.09631	6.4
128.06218	2.5
129.07021	11.5
131.07701	1.5
131.08583	18.8
133.06471	2.1
133.10139	9.6
134.48418	0.9
135.08060	2.3
135.11700	3.5
137.09601	1.5
141.07008	3.2
142.07784	2.5
143.08571	10.2
144.89465	0.8
145.06494	4.0
145.10121	13.4
147.08061	2.5
147.11682	5.7
149.09645	2.7
149.13332	1.3
153.07047	1.1
154.07819	1.6
155.08562	8.2
156.09312	1.5
157.06442	1.6
157.10127	10.3
158.31314	0.9
159.08075	2.7
159.11688	9.9
161.09624	1.7
161.13257	4.6
163.11156	1.8
167.08525	4.3
169.10107	7.6
171.08081	1.0
171.10338	1.5
171.11661	7.4
173.09601	2.9
173.11880	1.2
173.13272	6.7
175.11180	2.2
177.12695	1.2
179.08585	1.5
181.10175	4.9
182.11015	0.9
183.11688	5.9
185.09674	2.9
185.13264	6.7
187.11215	1.9
187.14790	2.4
189.11211	2.7
189.12726	1.6
193.10118	1.1
193.12259	2.3
195.11830	4.1
197.13234	5.4
199.11247	1.9
199.14906	3.8
201.12776	1.5
207.11693	1.3
209.13322	4.0
211.14903	3.5
213.12830	1.3
213.16505	1.8
215.14455	1.3
221.13287	1.9
223.14977	1.4
224.53639	0.9
227.12843	3.0
229.14244	1.4
235.14818	1.3
237.16466	1.3
241.19624	1.6
259.20703	3.2
267.15997	3.2
271.16611	1.0
271.20709	0.9
275.20151	1.8
283.20581	3.3
297.22116	3.0
299.23752	4.9
301.21521	1.0
313.21625	1.3
315.23172	1.1
333.24432	1.2
335.23566	1.1
339.23224	1.3
353.24921	1.2
357.24310	1.9
415.29715	2.6
417.26230	1.2
423.32516	1.2
433.31085	8.5
451.31998	11.8
469.33197	4.4
507.34985	1.5
515.37469	1.6
525.35742	20.8
543.36823	100.0
544.37341	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01869	4.2
55.05268	1.1
55.05516	17.5
57.03440	5.2
57.07074	1.4
59.04989	0.9
61.46182	1.0
65.03943	1.9
67.05169	1.9
67.05510	28.9
67.57065	1.1
69.03426	2.0
69.07069	12.6
71.04990	2.1
71.08623	1.1
78.57135	1.0
79.05500	20.7
81.03419	9.5
81.07058	28.5
83.04979	3.0
83.08616	8.8
85.06552	2.2
91.05482	23.6
93.07048	19.6
95.04963	5.6
95.08607	16.0
97.06524	3.4
97.10159	7.2
98.20805	3.2
98.21497	2.7
98.48509	1.1
99.74059	1.0
103.05444	1.0
105.06368	1.9
105.07038	22.1
107.04964	4.1
107.08592	12.8
109.06532	3.4
109.10167	9.7
111.08067	3.4
115.05464	3.3
116.06222	1.1
117.07020	12.1
119.08582	16.2
121.06525	3.5
121.10152	6.5
123.08073	3.0
123.11752	1.5
125.09631	6.0
128.06273	2.7
129.07014	10.8
130.07819	1.1
131.08560	18.4
133.10132	8.8
135.08084	3.5
135.11734	4.8
137.09689	1.7
141.07011	4.5
142.07835	2.3
143.08566	10.3
145.06491	3.0
145.10120	15.1
147.08095	2.2
147.11688	7.2
149.09610	3.4
149.13255	1.8
151.11176	1.5
154.07784	1.3
155.08569	5.5
157.06526	1.2
157.10156	10.3
159.08060	2.8
159.11707	9.1
161.09656	1.3
161.13272	4.1
163.11203	2.5
167.08571	3.9
168.09421	1.1
169.10132	8.2
171.08099	2.3
171.11703	10.6
173.09738	2.7
173.11893	1.5
173.13240	5.1
175.11185	2.3
179.08572	1.9
179.14377	1.2
181.10147	3.1
182.87367	1.2
183.11656	6.1
185.13319	6.2
187.11223	2.2
187.14804	2.4
189.11298	2.9
193.10307	1.2
193.12302	3.5
195.11700	4.3
197.13330	5.1
199.11198	1.5
199.14890	3.6
201.12784	1.7
207.11658	1.6
209.13345	2.4
211.11256	1.1
211.13120	1.7
211.14923	1.4
213.12703	1.3
213.16563	2.2
223.14888	1.6
227.12718	2.4
241.19557	1.5
259.20523	5.6
267.15793	2.3
275.20145	2.0
277.21936	1.2
281.22635	1.1
283.17389	1.2
283.20624	3.5
297.18915	1.4
297.22089	2.5
299.20648	1.5
299.23746	5.3
301.21838	1.5
307.20560	1.2
311.23950	1.2
313.21713	1.7
333.24268	2.2
339.23294	1.9
353.24777	1.4
415.30115	2.9
423.32889	1.9
431.28235	1.2
433.30951	8.4
445.29858	1.4
451.31955	12.4
469.33365	7.9
487.34296	1.2
507.34454	1.9
515.37128	2.1
525.35815	19.9
525.90405	1.4
543.36816	100.0
544.37054	2.1
547.23712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91597	0.5
56.93586	0.5
63.68313	0.5
63.72764	0.6
69.75488	3.3
81.45735	0.5
85.07178	0.5
115.51622	0.6
185.03053	0.7
245.05087	0.8
381.07950	16.2
543.13239	100.0
544.13568	1.7
549.76025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30269	1.0
66.10686	0.9
69.03416	1.2
71.56150	1.7
73.02907	1.1
85.02905	4.3
107.69564	1.0
110.07180	1.9
127.03920	3.1
133.38972	1.0
137.06477	0.9
138.17949	0.9
145.04948	1.6
146.83038	1.0
151.14999	1.0
155.01862	1.1
235.49518	1.0
238.98445	1.1
245.05173	2.1
263.05914	1.1
279.00055	1.3
298.91537	1.1
303.01431	1.3
351.11270	2.2
362.07870	1.1
381.07974	19.4
543.13245	100.0
544.13538	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47909	1.4
53.03947	2.5
55.01888	1.7
55.05507	7.1
67.05498	3.5
68.94689	1.6
69.03433	13.9
69.75866	3.6
69.76283	6.8
71.04992	2.4
73.06556	20.8
79.05491	5.4
81.03414	5.0
81.07055	4.6
83.04979	6.6
85.02906	10.6
91.05486	5.6
93.07055	5.1
95.04968	2.8
95.07058	1.6
95.08019	1.8
95.08598	3.5
95.40167	1.8
97.02902	11.9
97.06528	4.7
98.21143	5.2
99.04455	2.1
101.06001	2.7
103.26479	1.7
105.07033	9.3
107.08602	5.4
109.02882	5.9
109.06562	2.5
109.10184	4.2
111.04468	4.3
117.06989	3.1
119.08582	7.6
121.06546	3.0
121.10104	2.1
123.04440	1.9
123.08092	3.0
125.09632	2.2
127.03933	11.1
128.06233	2.6
129.07011	1.7
131.08588	4.8
133.10136	3.0
135.08055	100.0
137.05998	2.1
141.06984	2.3
143.08565	3.4
145.04987	5.0
145.06491	2.9
145.10143	3.0
147.04492	1.5
147.08084	3.6
149.09601	1.6
151.07556	4.2
153.01831	10.5
156.09373	4.5
157.10161	3.6
159.08075	5.8
159.11688	13.1
161.06139	1.5
161.09608	4.9
163.07625	2.1
165.09074	2.4
167.07080	4.7
169.10187	2.6
171.11720	3.1
172.08899	7.8
173.09631	13.0
175.07480	2.0
181.90791	1.7
184.08752	2.3
187.11182	39.4
189.12787	1.6
199.11226	6.4
203.10681	13.9
205.12228	1.6
212.08441	2.2
215.10693	28.1
217.12257	5.9
227.10661	6.1
233.11734	48.7
245.11763	35.3
263.12805	39.4
321.01382	1.6
349.44992	1.5
418.92276	1.5
543.23553	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	541.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03936	2.4
55.01873	4.1
55.05513	22.5
55.05780	1.3
57.03431	4.1
57.07061	0.8
65.03922	1.3
67.05508	26.6
69.03423	2.3
69.07072	8.9
71.04987	1.5
79.05494	26.7
81.02972	0.8
81.03425	8.2
81.07059	23.5
83.04960	4.0
83.08619	9.7
85.06542	1.9
85.68027	0.6
91.05479	22.0
93.06464	1.0
93.07043	17.7
95.04980	8.0
95.08606	11.6
97.06516	2.8
97.10170	13.7
98.21121	5.0
103.05471	1.2
105.07034	18.3
107.04958	3.6
107.08600	13.1
109.06493	3.0
109.07153	0.8
109.10155	7.6
111.04402	0.8
111.08096	1.9
115.05453	2.5
117.07018	12.6
119.04945	0.7
119.08576	13.7
121.06503	2.4
121.10124	5.3
123.08073	2.9
125.09632	10.8
128.06248	4.4
129.07005	11.6
130.07819	1.1
131.08572	13.5
132.08957	0.8
133.06418	1.2
133.10127	8.9
135.08066	2.5
135.11664	3.2
137.09634	1.2
141.06987	5.8
142.07782	4.1
143.08560	14.4
144.09393	1.0
145.06483	2.3
145.10127	12.9
147.08051	1.9
147.11696	4.0
149.09615	1.5
149.13246	1.1
151.11151	0.8
153.06999	1.6
153.09091	1.4
153.12817	1.0
154.07768	2.0
155.08556	10.6
156.09340	1.6
157.06482	2.4
157.10135	12.8
159.08061	3.5
159.11684	6.4
161.09689	1.3
161.13258	1.4
163.11176	2.2
165.07014	2.0
165.08966	0.7
166.07796	0.7
167.08589	4.4
168.09418	1.1
169.06450	1.1
169.10130	10.5
170.10513	0.7
171.06767	0.7
171.08064	2.6
171.11678	9.7
173.09669	2.6
173.11867	1.5
173.13271	4.3
175.11221	1.8
178.07828	0.7
179.08585	2.2
180.09320	1.0
181.10143	5.6
182.10930	1.0
183.08049	1.5
183.11702	9.4
185.09679	3.0
185.13287	6.4
187.11206	1.6
187.14841	2.3
189.09653	0.7
189.11244	4.9
191.10732	0.7
191.14406	0.9
193.10144	2.8
193.12285	1.6
194.10931	0.6
195.08154	1.2
195.11688	6.9
197.09615	1.4
197.13300	5.4
199.11263	1.6
199.14934	3.6
201.12738	1.2
205.10172	0.7
207.11719	2.7
209.13272	5.7
211.11212	1.9
211.14876	2.6
213.12761	1.8
213.16377	1.3
215.14301	0.7
219.11679	1.6
221.13246	4.0
223.14819	2.5
225.12793	1.0
225.16341	0.8
227.12611	5.4
233.13216	1.0
235.14838	1.7
237.16406	1.8
237.92950	0.6
239.18001	1.4
241.15807	1.2
249.16461	0.7
257.19110	1.8
259.20566	1.3
269.19226	0.8
273.18658	0.9
275.17667	0.6
275.20193	4.6
277.19376	0.8
279.21136	0.8
281.19080	1.7
283.16907	0.9
295.20612	1.9
297.18799	1.2
297.22040	8.2
299.20126	1.1
300.42413	0.7
305.19022	0.8
311.20020	1.0
313.21783	0.7
315.23279	1.1
323.20044	1.6
325.21646	1.1
335.23807	0.9
337.21625	1.8
339.23080	0.8
341.21231	1.0
343.22574	0.9
345.20813	0.8
353.24805	1.2
355.22650	1.4
369.24432	0.8
371.26154	1.0
403.30017	1.5
413.28244	0.8
421.31097	1.8
431.29431	7.0
439.32224	1.0
443.28052	1.0
449.30481	11.4
467.31387	7.1
485.32602	2.9
505.33017	1.1
523.34229	10.1
541.35242	100.0
542.35480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.0
51.02373	2.3
53.03948	10.0
55.01875	4.9
55.05512	25.5
57.03439	3.7
57.07073	9.5
58.06575	1.1
58.07404	1.0
65.03944	5.4
67.05507	82.4
69.03422	2.5
69.06720	1.1
69.07073	18.2
70.06596	5.8
70.16154	1.9
70.16561	1.5
71.04984	2.6
71.08626	3.2
72.08952	1.3
73.06569	1.3
77.03919	1.6
78.49755	0.8
79.05494	100.0
81.03422	9.0
81.07057	69.2
81.07423	0.7
83.04983	10.8
83.08620	11.0
85.06519	3.8
85.10165	1.6
88.07630	8.3
89.07944	0.9
91.05482	72.0
91.30561	0.7
93.07046	87.7
95.04974	23.5
95.08608	44.6
95.09238	1.4
97.02862	1.5
97.06540	6.1
97.10149	5.0
97.55386	0.9
97.93146	0.7
98.21222	1.9
99.08097	1.2
102.09179	5.7
103.05483	1.3
105.04522	3.3
105.07033	47.4
107.04968	7.0
107.08596	31.4
109.06527	6.8
109.10157	12.7
111.08105	2.0
115.05450	2.0
117.07023	12.7
119.08583	30.6
119.47772	0.7
121.06512	2.6
121.10149	19.0
121.11024	1.1
123.08080	5.2
123.11710	2.4
123.78157	0.7
125.09631	1.8
127.07526	0.7
128.06221	3.4
129.07011	15.8
130.05414	0.8
130.07780	1.4
131.08569	11.7
133.06487	1.1
133.10133	16.6
133.11076	1.3
135.08073	1.3
135.11699	11.2
137.09647	2.8
137.13222	1.1
141.07068	1.0
142.07805	0.9
143.08571	11.1
145.10126	15.8
147.08066	3.1
147.11691	32.8
149.09642	1.1
149.13246	3.9
151.11201	0.9
153.93515	0.9
155.07143	0.8
155.08572	1.9
157.10167	2.6
159.11713	5.1
161.09654	4.7
161.13248	11.2
163.14851	1.4
167.07114	1.0
169.10110	2.0
171.11697	25.6
171.13135	1.6
173.13280	2.8
175.14957	1.8
179.14307	1.2
183.11690	2.2
185.13249	1.9
187.14763	2.0
189.12730	9.6
197.13234	1.2
207.13794	22.9
225.14812	1.6
243.21271	1.1
256.26309	8.7
257.26651	6.3
261.22205	4.8
274.27359	1.0
281.17508	2.1
283.26315	2.2
284.26620	2.3
284.29596	2.1
285.29749	1.6
311.29483	7.6
312.29767	7.5
335.25928	1.0
449.34128	2.5
467.35345	1.7
523.37909	1.5
540.53674	7.8
541.38959	78.9
541.53607	33.3
542.39545	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03941	4.9
55.01874	8.1
55.05509	26.5
57.03425	4.8
57.07067	2.6
59.04999	2.0
59.40298	1.1
65.03952	3.6
67.05505	46.8
69.03438	3.6
69.07068	18.7
71.04984	4.5
71.58063	1.6
79.05493	48.1
81.03421	45.4
81.07057	55.8
83.04974	9.1
83.08624	17.2
85.02908	1.3
85.06528	3.0
91.05482	44.4
93.07043	28.3
95.01313	1.4
95.04980	19.1
95.08611	22.8
97.02903	2.1
97.06530	10.9
97.10162	8.7
98.21321	1.1
99.04475	1.1
105.07033	35.9
107.04951	12.6
107.08605	20.4
109.06525	12.8
109.10158	15.0
109.20235	1.0
111.04464	1.4
111.08120	5.3
114.31176	1.1
115.05476	2.6
116.06181	1.2
117.07022	14.9
119.04945	2.4
119.08588	31.4
121.06514	7.5
121.10147	12.5
123.04433	1.4
123.08059	5.3
123.11742	3.6
125.09658	7.3
128.06210	4.5
129.07010	16.4
130.07785	1.3
131.08568	21.3
133.06493	3.4
133.10138	19.7
135.08064	7.1
135.11696	5.3
137.09639	4.1
141.07002	6.4
142.07774	3.6
143.08548	12.2
145.06496	5.6
145.10130	20.9
147.08066	4.7
147.11673	15.2
149.09625	10.6
149.13257	3.9
151.11214	2.2
153.07031	2.0
153.09076	1.3
154.07834	1.8
155.08580	7.4
156.09363	1.6
157.06538	2.1
157.10144	13.5
159.08095	2.5
159.11690	12.9
161.09644	2.4
161.13277	4.0
163.11160	7.5
165.07019	2.0
165.12772	2.2
167.08574	3.6
168.09433	1.3
169.10115	10.2
171.08052	2.5
171.11665	7.8
173.09656	4.5
173.11900	1.2
173.13278	4.5
175.11172	5.5
177.12775	2.9
179.08737	1.2
179.10681	1.6
179.14445	2.7
181.10146	4.2
183.08284	1.2
183.11690	7.1
185.09592	2.7
185.13281	4.9
187.11255	3.0
187.14873	2.1
189.11310	2.6
189.12892	2.7
191.10748	1.8
193.10376	2.2
193.12218	13.6
195.08003	1.7
195.11725	4.5
197.09616	2.4
197.13361	4.5
199.11218	2.8
201.16451	1.7
205.12363	1.5
207.11763	2.4
209.13307	3.9
211.11241	1.4
211.14909	3.0
213.12729	1.6
215.14203	1.5
215.17928	1.6
217.08551	2.2
221.13344	3.1
223.14987	1.7
227.12791	1.5
229.19604	3.8
235.14893	1.5
239.14270	1.4
239.18044	3.6
247.20592	2.6
249.14877	1.6
257.18958	10.3
259.17035	1.4
267.16019	2.7
273.18668	1.5
275.20081	44.1
281.19098	2.6
289.39905	1.3
293.21243	2.6
295.20624	1.2
297.22192	3.5
299.20206	3.0
305.19073	1.1
311.20123	1.4
318.64526	1.2
321.22287	1.2
323.20020	1.2
337.21799	1.7
339.23029	1.3
341.21008	1.3
355.22510	1.1
369.24234	1.6
413.51013	1.3
421.31238	1.5
425.25598	1.3
431.29306	6.3
449.30524	10.0
467.31720	10.6
485.32614	3.2
505.33209	1.8
513.35248	1.5
523.34363	9.9
541.35352	100.0
542.35693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
59.85788	0.7
67.05491	1.2
69.03423	3.0
71.04985	1.8
71.16850	0.8
71.17181	1.2
79.01857	4.5
79.05486	1.0
81.03418	6.8
81.07057	1.5
85.02897	3.0
85.52835	0.9
86.73106	0.7
91.05464	1.2
93.07031	1.8
95.04976	19.7
97.02916	5.7
99.04474	6.9
105.07029	1.0
107.01314	1.9
107.08585	1.2
109.02889	5.4
109.10110	1.0
111.08031	0.8
125.02364	3.3
127.03928	8.2
133.10094	1.8
142.64165	0.8
143.03419	4.8
145.05038	1.0
153.01837	100.0
153.02893	4.3
153.09068	6.4
154.02145	0.9
163.03658	0.8
165.27040	0.8
171.02875	13.1
184.70859	0.9
191.14319	1.1
209.15399	7.2
227.16354	0.9
235.49844	0.9
297.06030	6.3
315.07062	9.8
541.22504	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	541.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
54.56118	2.7
55.01862	5.0
55.05306	2.5
55.05515	26.5
56.23244	3.1
57.03437	22.7
57.07064	9.2
59.04976	4.2
65.03929	5.2
67.05511	56.8
69.03414	4.8
69.07069	20.2
70.06575	5.0
71.04980	3.0
71.08621	6.9
79.05490	50.3
81.07064	71.3
83.04971	5.2
83.08608	8.3
84.34920	3.2
85.06557	3.7
88.07619	7.1
91.05484	72.4
92.71796	3.7
93.07050	56.9
95.04948	18.8
95.08607	49.7
97.06521	7.5
97.10130	8.6
98.20919	18.3
98.21603	6.4
102.09177	6.9
105.07033	100.0
107.08593	51.3
109.06512	7.5
109.10145	22.6
111.08073	5.1
113.06023	7.3
117.07035	31.9
119.07786	6.3
119.08585	73.6
121.06405	5.0
121.10149	32.0
123.08089	43.8
123.11673	7.0
128.06227	3.7
129.06955	12.3
130.07741	3.6
131.08578	50.6
133.10129	52.3
135.08032	14.4
135.11691	13.9
137.05942	14.4
137.09613	3.9
141.81746	3.1
142.07767	4.4
143.08582	21.8
144.09317	4.2
145.10127	45.0
147.08046	10.6
147.11697	26.3
149.09619	23.0
149.13223	3.9
151.07506	4.2
155.07036	44.1
155.08464	4.6
156.09314	7.0
157.10152	14.9
159.11713	35.3
161.09621	11.1
161.13283	12.6
163.11089	5.6
167.07030	19.2
169.10109	7.1
171.11722	11.4
173.09534	3.8
173.13237	14.5
175.11172	17.5
175.14940	3.1
176.12024	5.4
177.12727	15.7
181.04973	46.3
183.11728	7.1
185.13274	9.9
187.14948	5.0
189.12759	13.2
197.13298	4.4
199.14812	5.2
201.16414	5.7
213.16399	4.1
215.17903	4.6
219.17369	8.4
229.19496	3.7
239.17839	4.5
256.26404	17.4
257.19012	25.5
257.26733	4.8
269.22626	8.3
273.18427	4.5
273.22150	3.8
275.20032	32.6
285.22040	7.8
287.23703	27.4
289.21606	5.8
311.29413	12.4
312.29959	6.1
313.21637	5.7
325.25186	16.4
341.24805	13.0
343.26312	88.6
351.23129	6.5
359.25763	40.2
369.24170	14.3
387.25281	33.4
411.25046	5.1
540.53473	31.9
541.35529	6.3
541.53754	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	541.316
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
53.03943	5.4
55.01862	2.4
55.05514	16.8
57.03433	23.8
57.07063	11.7
58.06587	2.3
60.29309	2.7
65.03892	2.3
67.05506	41.8
67.05835	4.7
69.03426	3.5
69.07073	18.2
69.63908	12.1
70.06591	6.4
71.04981	2.5
71.08632	3.8
79.05499	44.7
81.03394	2.9
81.07056	44.2
83.01328	3.4
83.04945	2.9
83.08617	8.7
85.06535	4.2
85.10150	2.6
88.07616	7.6
91.05482	47.1
93.07047	47.9
94.07403	2.5
95.04962	8.9
95.08606	37.9
96.85681	2.2
97.06538	5.7
97.10180	4.4
98.21111	8.4
101.99120	2.5
102.09179	8.1
103.05439	3.1
105.04514	2.4
105.06345	2.1
105.07024	49.8
105.47566	2.3
107.04998	3.4
107.08596	53.6
109.06480	11.6
109.10154	13.1
111.08043	6.4
113.05984	3.4
115.05459	3.1
117.07038	16.6
119.08579	39.5
121.06535	3.1
121.10155	21.7
123.08089	13.0
123.11700	13.7
125.05949	2.8
125.09632	100.0
128.06265	4.2
129.07018	9.2
130.07785	4.2
131.08574	29.3
133.10129	22.5
135.08067	5.1
135.11661	12.0
137.05971	21.6
137.09634	13.7
139.07552	2.7
139.11166	7.4
141.33392	2.3
143.08527	11.3
144.09319	2.9
145.10120	27.3
147.08072	5.0
147.11687	17.2
149.09605	4.4
149.13229	7.5
151.07547	2.6
151.11160	3.4
153.05496	3.2
153.46536	2.1
155.07031	81.3
155.08434	3.7
157.10133	13.4
159.11682	27.8
161.09583	3.2
161.13269	14.6
163.11240	14.9
165.09087	2.6
165.12781	3.3
167.07019	19.0
169.10129	4.6
171.11702	10.4
173.13297	11.8
175.11166	3.6
175.14827	5.8
177.12737	4.7
179.14330	2.5
181.04965	44.5
183.06491	3.0
183.11749	7.8
185.13254	7.9
187.14806	7.7
189.12825	3.5
191.14307	3.0
197.13245	5.6
199.14864	6.5
201.16347	4.9
203.14310	3.1
211.09691	7.5
213.16360	5.0
217.15884	4.6
219.17485	3.5
227.17897	2.9
229.15872	3.4
235.16974	3.2
256.26364	19.4
257.19006	25.2
257.26669	4.2
269.22650	7.0
275.20187	5.7
283.26370	3.1
284.29471	3.3
285.21982	2.7
287.23688	26.5
297.22141	6.1
299.24051	2.8
311.29388	13.0
312.29794	6.0
313.21573	3.4
323.23538	5.7
325.25281	7.6
341.24792	16.0
343.26331	40.0
351.22791	3.2
359.25745	24.2
363.19623	2.9
369.24188	8.7
387.25223	31.2
411.25122	5.6
441.29926	5.6
540.53516	24.4
541.53943	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
55.05517	2.3
57.07078	1.1
67.05505	3.0
69.03419	3.8
69.07057	3.4
70.93598	2.3
71.04993	1.9
74.65598	0.8
79.01841	2.7
79.05491	2.2
81.03412	5.5
81.07053	6.8
82.69405	0.7
83.01345	2.0
83.05005	0.9
83.08611	1.1
85.02902	5.3
85.06563	4.4
91.05488	2.5
93.07034	4.8
95.04998	1.2
95.08620	4.7
97.02865	5.1
97.06532	3.8
97.10154	0.8
98.21275	1.2
99.04480	2.1
99.08102	7.6
101.06025	1.6
105.07031	3.2
107.08607	9.7
109.02883	5.3
109.06508	1.6
109.10158	5.6
111.08092	1.7
119.04959	1.1
119.08562	1.9
120.18688	0.7
121.06522	2.1
121.10152	8.5
123.08056	1.4
123.11730	2.0
125.02348	4.4
125.09633	3.4
127.03927	7.5
127.27071	0.8
131.08582	1.5
133.10127	7.2
135.08052	2.7
135.11725	1.4
137.05956	1.8
137.09621	2.0
137.13185	1.2
139.07584	1.9
139.11179	1.3
143.03403	4.6
144.09268	0.7
145.05043	0.8
147.11685	1.5
149.09583	9.8
149.13286	2.7
151.07567	3.7
151.11191	2.6
152.07895	0.9
153.01834	100.0
153.09106	1.5
153.12791	1.5
154.02167	1.0
163.14865	3.8
165.12828	1.0
171.02888	9.6
171.13745	1.2
173.11940	0.9
173.13272	4.8
181.15875	1.2
191.14334	8.1
209.15366	44.7
222.48793	1.0
225.18396	1.2
227.16388	3.4
228.11127	0.8
288.13107	1.5
295.26367	1.0
297.06128	4.8
307.26263	1.7
314.14883	1.4
315.07013	7.2
325.27225	1.8
331.15228	2.5
332.15646	5.8
343.28351	1.5
389.80875	1.0
392.57916	0.9
541.22675	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	541.2279
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01868	0.9
55.05499	2.8
57.03446	0.8
57.07059	1.1
59.05005	0.7
64.79980	0.7
67.05484	2.1
69.03430	3.2
69.07066	2.4
70.39434	1.1
71.04990	1.9
73.02944	0.6
77.29037	0.6
79.01857	3.7
79.05472	2.2
81.03420	5.5
81.07055	4.7
82.14921	0.6
83.01341	1.3
83.04986	3.8
83.08609	2.2
85.02902	2.5
85.06531	4.0
91.05469	2.2
93.07037	3.7
95.04969	0.9
95.08628	3.8
97.02903	4.6
97.06538	2.9
97.10158	0.9
98.21090	1.3
99.04446	4.0
99.08102	6.6
101.06010	1.9
105.07011	1.8
107.01334	1.7
107.08593	8.5
109.02900	4.6
109.06497	1.6
109.10152	5.0
111.08080	2.7
119.08579	2.0
121.06518	1.0
121.10160	7.4
123.08059	1.4
123.11700	2.4
125.02369	3.4
125.09628	4.3
125.74506	0.6
127.03923	6.2
131.08559	1.9
133.10127	3.8
135.08049	2.1
135.11667	2.7
137.06003	0.9
137.09630	2.5
137.13283	1.3
139.07516	1.8
139.11180	1.7
143.03421	5.1
145.04964	1.5
147.11630	0.7
149.09610	7.6
149.13300	3.3
151.11185	5.1
153.01831	100.0
153.09135	0.9
154.02159	1.3
160.58752	0.7
163.14824	2.1
163.30309	0.6
165.12711	0.9
167.10756	1.1
167.14348	2.4
169.12300	1.3
171.02893	9.4
173.13272	2.8
181.15929	1.7
191.14267	4.9
209.15364	41.8
210.15645	0.7
227.16400	8.4
239.20116	1.1
251.16475	1.1
251.20261	0.8
297.06039	5.7
307.26337	2.1
315.07104	6.4
343.28372	1.0
541.20996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80519	8.5
55.05495	20.7
55.92199	8.8
56.28485	8.4
57.07080	80.7
57.79850	8.0
58.07402	9.2
67.05508	41.7
69.07066	32.4
70.09703	33.8
71.05006	10.0
71.08625	32.5
72.30202	8.7
74.09719	12.4
79.05493	25.8
81.07070	47.4
82.07364	11.0
83.04936	9.1
83.08604	21.9
85.06544	24.3
85.10149	19.3
88.07642	15.5
91.05489	26.2
93.07061	41.0
94.23180	8.0
95.04929	11.8
95.08615	39.0
96.08952	11.1
105.07006	13.2
107.08585	17.0
109.10151	23.3
109.75310	7.8
111.04373	9.3
111.11591	7.9
117.06986	8.6
117.56895	7.5
119.08640	9.1
121.10142	34.7
122.10507	19.4
135.00633	8.1
135.11716	13.1
139.11212	9.5
145.10260	9.7
147.11673	8.4
163.11197	14.5
164.11548	10.4
181.12114	7.3
209.11691	14.0
210.12091	15.5
227.12776	14.5
228.13263	8.5
245.13820	34.3
246.14163	8.8
256.26334	31.1
311.29364	29.1
405.33353	9.2
431.31479	17.6
433.33112	100.0
477.32062	9.9
495.33286	12.7
495.69009	8.4
540.39789	96.4
540.53455	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82070	1.6
55.05503	2.9
57.07070	2.0
67.05508	5.5
69.03434	3.3
69.07074	4.4
69.79405	9.8
71.04986	5.2
75.19559	1.6
79.05497	3.1
81.03418	4.0
81.07063	15.7
83.04981	2.2
83.08630	3.2
85.02921	4.3
85.06547	17.3
91.05471	3.2
93.06530	1.5
93.07024	8.1
95.08620	9.8
97.02922	2.8
97.06535	2.5
98.21122	4.5
98.97596	3.6
99.04472	7.1
99.08102	3.8
105.07030	5.2
107.08607	10.7
109.02902	2.9
109.06526	1.7
109.10175	10.3
109.60845	1.8
111.08065	3.0
119.08599	3.0
121.10152	7.0
123.11728	4.6
125.02388	2.8
125.09669	5.5
127.03924	4.5
131.08600	2.1
133.10158	5.9
135.08063	2.0
135.11676	3.7
137.06050	2.3
139.11177	3.7
143.03433	2.3
145.04979	2.0
147.11690	3.0
149.13330	3.2
151.11255	2.1
153.01839	51.9
153.02875	2.5
163.14853	2.1
165.12769	2.8
167.07074	2.7
167.14342	1.8
169.12384	2.2
171.02965	4.1
173.13312	3.0
183.13837	4.8
191.14406	2.0
209.15405	11.9
227.16487	11.9
237.05605	1.8
239.20047	4.0
251.20256	2.1
272.26517	1.6
289.25317	2.0
297.06442	2.5
307.12088	2.0
307.26401	5.7
315.07211	4.0
325.27219	4.3
361.29565	2.5
409.15561	2.2
504.27628	1.9
521.95386	1.8
541.20453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2281
Annotation	Erizomycin
Peak:m/z	Relative Intensity
50.66990	0.7
53.03924	1.0
55.01845	0.8
55.05502	1.7
56.22406	0.7
57.03433	0.9
57.07099	0.9
59.04988	1.2
67.05492	1.3
69.03441	3.9
69.07063	2.8
69.48728	5.5
71.04987	2.5
73.02915	1.4
79.01855	2.9
79.05488	1.6
81.03408	5.0
81.07056	7.8
83.04955	0.9
83.08607	0.9
85.02896	4.2
85.06090	0.9
85.06529	4.9
86.01683	0.7
91.05473	2.5
93.07057	4.7
95.04966	3.3
95.08605	4.0
97.02905	3.6
97.06526	2.7
98.21422	1.5
99.04438	5.3
99.08100	1.7
101.99577	0.7
105.07040	3.0
107.01294	1.5
107.08601	5.2
109.02896	5.9
109.06512	2.4
109.10170	4.3
111.04399	0.8
111.08089	1.4
113.03519	1.8
117.07052	1.0
117.56883	1.1
119.04946	0.8
119.08577	2.8
121.06480	0.8
121.10194	3.7
123.08056	2.0
123.11711	3.8
125.02384	3.3
125.05984	1.2
125.09628	1.4
127.03934	7.8
127.07506	0.8
127.11182	1.0
131.04936	1.0
131.08525	0.8
131.17709	0.7
133.10112	3.8
135.08095	1.7
135.11702	2.2
137.06009	3.5
137.13333	0.8
138.06331	1.0
139.11189	1.4
143.03412	5.1
145.10190	1.3
147.11720	2.6
149.09615	0.9
149.13266	2.4
151.03880	2.2
151.11169	1.3
153.01834	100.0
153.02805	4.0
153.09149	1.7
153.12785	0.8
154.02209	1.7
163.07556	1.0
165.12813	1.7
167.07097	1.8
169.12271	0.9
171.02904	9.0
173.13234	1.2
176.86317	0.7
177.09128	1.7
178.09442	2.2
179.07019	1.2
180.25708	0.7
183.13829	1.4
189.09282	0.8
191.14296	2.0
197.08105	1.7
203.17900	1.0
209.15378	5.2
213.76382	0.7
227.16458	8.1
233.11629	0.9
239.20097	3.0
243.13371	2.8
257.21069	1.0
279.04947	5.2
289.25409	1.1
297.06100	2.5
307.26172	2.5
315.07077	11.0
317.17523	0.8
325.27377	1.7
343.28568	1.1
541.20050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.1
57.07082	46.2
58.06591	5.8
66.77238	4.5
67.05487	13.7
67.66219	4.9
69.07060	15.2
70.06587	16.8
71.03599	14.1
71.08638	15.9
79.05498	12.4
81.07053	30.3
85.06534	15.3
85.10173	7.1
88.07630	14.8
91.93170	5.0
93.07034	14.8
95.04941	6.7
95.08610	28.2
95.09150	5.2
97.06494	6.2
97.10143	7.7
98.20864	6.9
102.09168	13.0
107.08606	7.1
109.10165	11.9
111.04487	5.6
119.08622	7.2
121.10174	11.3
123.11675	6.2
125.05976	7.4
135.11655	6.8
149.09561	7.8
152.09773	5.2
161.13327	5.7
177.09052	11.1
184.88292	5.6
209.11647	9.2
210.12029	12.7
227.12700	5.7
256.26364	39.9
283.15295	7.7
311.29568	33.3
379.64963	5.7
389.30450	6.2
405.33710	7.7
415.32141	11.3
431.31555	16.1
432.32510	5.1
433.33118	79.8
477.31931	7.8
495.33163	7.6
512.28790	5.4
539.06128	6.3
540.39740	36.5
540.53400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05528	0.8
57.97164	0.6
67.05503	1.4
68.88608	0.6
69.03435	13.4
69.07074	0.8
71.57092	1.2
79.01842	2.6
79.05473	1.2
81.03420	6.5
81.07065	2.8
83.04977	1.1
85.02925	3.8
85.06539	1.0
91.05476	1.8
93.07032	2.0
95.08641	3.1
97.02906	6.0
97.06568	1.1
98.21070	0.8
99.04460	1.2
100.06482	0.6
105.07045	2.3
107.01334	1.9
107.04966	0.8
107.08620	3.7
109.02891	5.0
109.06501	1.3
109.10150	1.3
119.04927	1.0
119.08558	1.4
121.06516	1.3
121.10159	3.9
123.08067	1.4
123.11713	1.5
125.02331	3.5
125.09650	5.0
127.03915	6.6
131.08554	1.2
133.10120	1.4
133.60005	0.7
135.08087	2.1
135.11702	1.5
137.06004	3.4
137.09633	0.9
138.06314	1.0
139.11212	0.9
143.03384	3.9
145.10078	1.1
149.09607	1.7
149.13281	1.1
151.07553	1.9
152.07910	0.8
153.01842	100.0
153.09131	2.0
154.02150	3.6
158.10826	1.2
161.06024	0.9
162.06360	0.8
163.14772	1.1
165.12822	1.2
167.07097	0.8
171.02902	10.4
172.06055	0.9
173.13281	5.2
175.07623	0.8
181.12254	1.2
189.09123	1.0
191.14311	15.6
207.13818	0.7
208.14185	1.4
209.15385	17.3
225.14871	1.4
226.15218	1.2
281.55646	0.7
297.06042	6.1
298.06653	0.8
298.11865	1.2
312.13058	1.1
315.07123	17.5
316.07376	0.8
325.22287	0.6
338.14844	0.7
353.10941	0.5
356.15894	0.7
566.25720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84735	0.9
53.12571	0.8
66.33067	0.9
69.84834	4.9
81.03403	1.5
81.07061	2.6
85.02916	3.1
91.05489	3.3
91.66475	0.9
93.07052	1.8
95.04967	1.8
95.08588	1.2
97.02883	1.4
97.10779	1.0
99.04401	1.5
103.05466	6.3
105.03412	3.0
105.07034	1.9
107.04970	1.3
107.08592	2.1
109.02886	1.4
115.05465	2.0
117.07011	3.1
119.04971	1.9
119.08559	1.5
121.06512	1.2
121.10179	1.0
122.03655	1.6
123.08093	1.1
129.07068	1.2
131.04942	16.3
133.06522	1.2
133.10123	1.1
135.08047	2.3
137.05986	22.4
143.08585	1.1
149.06017	1.3
151.03943	1.9
151.07553	15.3
153.01828	11.3
154.02147	2.1
157.06467	1.3
161.06033	3.4
163.07553	40.4
167.08545	1.2
171.08020	1.5
171.13474	1.2
173.13274	1.4
175.07561	3.8
177.09120	100.0
189.09146	4.6
191.14346	4.6
195.08112	2.7
195.10172	2.0
201.82993	1.3
209.20914	0.9
221.09619	2.4
221.11694	14.8
227.10666	4.9
253.08835	1.2
253.12254	2.0
255.10139	3.6
287.12784	6.1
311.12811	2.4
313.14484	6.1
331.15390	21.2
343.15414	2.2
383.76233	1.0
470.61307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01866	3.3
55.05534	0.8
56.49365	0.7
57.03442	5.1
61.02931	3.8
65.03934	1.2
67.05511	1.7
69.03432	30.7
69.07062	1.8
69.97719	1.1
69.98129	2.5
71.01362	1.8
71.05016	1.6
73.02919	21.2
74.29037	0.7
79.05474	3.5
81.03407	2.3
81.07061	5.3
85.02911	25.4
87.04472	1.8
88.58486	0.8
91.05485	100.0
93.07060	3.1
95.04968	1.6
95.08617	2.1
97.02895	16.4
97.06537	0.9
98.21191	2.4
99.04442	1.5
99.34740	0.7
105.07056	2.7
107.04960	45.3
107.08592	5.0
109.02901	2.1
109.06506	1.3
109.10163	1.0
110.02625	0.7
113.53426	0.7
115.03925	8.3
119.04909	0.9
119.08591	2.6
121.06506	2.0
121.10146	6.1
123.08073	2.3
123.11707	10.3
127.03922	9.7
131.04933	1.4
131.08624	1.3
131.14403	0.8
133.04967	9.4
133.10136	5.9
135.08058	8.8
135.11719	3.5
136.37833	0.8
137.06021	1.8
143.03450	1.0
145.04955	7.9
147.11736	1.4
149.05988	1.6
151.07591	1.0
152.53918	0.8
153.01831	13.3
158.11018	0.9
161.05981	0.9
163.06029	1.2
163.11252	2.8
163.14787	4.8
169.82121	0.8
171.02911	1.0
173.13272	2.1
178.05032	2.9
191.07063	0.9
191.14314	24.9
203.07106	2.1
223.06091	0.8
229.08710	4.4
230.51419	0.7
241.07089	1.5
259.08127	1.4
297.05890	1.4
315.07104	6.0
431.97433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01873	13.2
55.05517	37.7
57.03432	12.4
57.07074	75.2
63.53944	5.2
65.03925	5.4
67.05513	51.1
69.07061	30.5
71.08641	50.1
79.05485	43.7
81.03399	8.7
81.07064	54.2
83.04984	13.2
83.08633	29.3
85.06561	5.3
85.10162	17.7
91.05479	27.2
93.07063	48.1
95.04961	13.5
95.08620	77.5
97.02897	10.6
97.06551	12.1
97.10155	14.7
99.04465	4.9
105.07007	17.3
107.04942	13.2
107.08572	27.1
109.02885	9.6
109.06548	6.4
109.10147	34.6
111.04420	19.5
111.08039	7.2
117.07020	16.4
117.82740	5.6
119.08607	13.2
121.10160	13.1
121.40918	4.9
123.11710	12.2
124.43514	5.4
125.09682	6.9
131.08617	7.4
133.10150	10.2
135.11716	36.7
137.05974	7.5
145.10126	21.1
147.11746	6.9
153.12733	7.7
163.11154	43.8
169.10172	5.8
173.09755	5.5
179.23433	5.6
186.22115	5.6
191.10641	10.3
209.11836	8.8
210.14561	6.4
227.12781	93.1
239.23701	19.3
239.81491	6.1
265.28821	5.9
283.15463	41.9
284.52356	6.5
313.27371	100.0
326.32083	5.3
331.08243	5.8
351.91681	5.0
382.02780	5.2
392.28555	5.3
452.03134	6.8
521.38397	53.2
539.39148	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01865	11.4
55.05513	50.7
57.03439	10.8
57.07081	57.1
57.38906	1.8
65.03919	2.5
67.05506	58.2
69.03437	5.8
69.07069	26.7
69.62062	7.3
69.62488	5.2
71.01362	5.0
71.04995	3.9
71.08635	45.6
73.02893	2.4
79.05499	34.1
81.03413	9.9
81.07056	56.3
83.04986	14.3
83.08627	30.9
85.02911	23.7
85.06526	3.6
85.10190	23.3
87.04489	7.3
91.05474	20.8
93.07050	25.5
95.04982	7.8
95.08611	53.4
97.02911	7.8
97.06546	5.5
97.10178	35.0
98.21231	6.1
99.04442	4.4
103.03960	4.3
105.07034	10.9
107.04968	5.9
107.08598	21.8
109.02887	2.8
109.06504	2.4
109.10159	26.9
111.04440	14.2
111.08077	5.1
111.11752	2.2
117.07060	7.1
119.08586	12.8
121.06522	2.6
121.10172	11.7
123.08086	4.5
123.11720	10.1
124.38829	1.8
125.05984	2.3
125.09645	31.2
129.07045	2.2
131.04936	2.2
131.08592	6.0
133.10161	6.6
135.08069	3.0
135.11681	10.9
137.13306	3.8
139.11252	1.9
143.08537	2.5
143.10730	7.2
145.10124	11.7
147.08063	3.6
147.11736	3.4
149.09639	3.1
151.11211	2.2
153.12756	4.0
155.07086	2.7
155.08618	2.6
157.10159	2.6
163.11203	16.5
165.16447	2.1
169.10199	2.7
169.12189	2.1
169.14145	1.8
173.09677	4.0
181.05023	3.2
181.12297	6.5
191.00215	2.1
191.10652	10.5
199.13309	15.5
209.11739	36.2
209.13585	2.7
221.22780	2.1
227.12776	23.2
227.14857	1.9
239.23694	15.0
245.13828	2.9
265.14490	2.0
283.15393	24.1
291.55963	1.7
301.16608	7.1
313.27396	42.8
437.36288	5.6
455.37311	2.3
493.08011	2.1
521.31860	2.2
521.38562	12.2
539.39514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
53.07759	0.8
55.01868	3.4
57.03436	5.6
61.02920	4.1
65.03938	1.5
67.05506	1.4
69.03066	1.8
69.03431	25.9
69.07071	1.5
70.62424	1.6
70.62764	1.6
71.04962	0.9
72.32994	0.9
73.02915	22.8
79.01855	1.0
79.05490	5.0
81.03420	2.7
81.07069	2.5
85.02907	24.3
85.06584	1.0
87.04463	2.1
91.05483	100.0
93.07017	2.0
95.04977	1.5
95.08607	2.5
97.02888	17.1
99.04479	1.7
101.68364	1.0
105.07030	2.7
107.04956	72.6
107.08595	3.1
109.02890	2.3
109.06504	1.9
115.03924	11.4
119.05068	1.0
119.08588	1.6
119.12592	1.0
121.06521	2.2
121.10167	4.4
123.08068	1.2
123.11729	4.4
127.03893	7.7
131.04944	1.8
131.08618	1.2
133.04958	14.3
133.10141	2.6
135.08069	4.4
135.11710	1.7
137.05981	1.4
145.04953	9.0
145.06076	1.0
145.06534	1.0
145.10074	1.5
149.05954	2.1
153.01842	9.2
163.06050	2.7
163.11183	2.8
163.14861	2.4
167.07056	1.2
171.03029	1.1
173.05930	2.1
173.13245	1.1
178.05009	2.2
191.07051	2.1
191.14302	13.9
203.07066	1.6
211.92329	0.9
211.94466	1.2
223.06021	1.9
229.08585	5.1
241.07036	2.2
259.08221	1.4
315.07040	3.0
540.23303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01875	44.2
55.05261	1.7
55.05516	30.8
57.03438	7.9
57.07079	72.0
65.03944	2.0
67.05507	45.1
69.03440	13.0
69.07071	26.7
70.04206	1.4
71.04992	4.0
71.08635	45.1
71.58043	2.4
73.02913	5.2
79.05498	29.2
80.06290	2.5
81.03420	9.3
81.07060	52.4
82.04204	9.8
83.04984	19.0
83.08623	28.6
84.05756	2.1
85.02910	1.9
85.09709	2.2
85.10180	26.6
89.06001	1.7
91.05478	19.8
93.07050	17.1
94.07816	1.7
95.04971	15.2
95.08612	47.8
96.05721	1.7
97.02874	2.5
97.06525	12.3
97.10177	13.7
98.07310	12.3
99.08073	2.5
105.07024	10.2
107.04967	4.5
107.08608	10.4
109.06528	4.6
109.10154	21.5
110.07355	1.5
111.04447	4.6
111.08094	8.4
111.11738	1.6
113.06055	1.7
115.03886	2.0
115.05397	1.8
116.04733	1.5
117.07006	3.1
119.08601	10.9
121.06487	2.2
121.10146	7.3
123.08073	5.7
123.11684	10.3
125.09627	9.1
127.11193	6.0
129.06992	4.6
131.08568	5.2
133.10152	6.2
135.08049	2.1
135.11714	3.7
136.08920	1.7
137.09601	1.8
137.13268	3.6
145.10121	2.9
147.11723	4.9
149.09631	3.8
153.09172	1.6
153.53232	1.2
157.10162	4.1
158.05795	6.8
163.11220	3.7
164.12067	2.2
165.12740	1.7
165.16403	1.3
171.06522	14.9
173.09668	2.2
175.11217	3.6
181.12344	1.8
185.08073	6.5
191.10774	2.8
193.12305	1.7
199.09735	4.1
209.11754	7.0
213.11159	2.4
221.22758	2.7
227.12787	9.5
239.23741	14.9
241.14462	1.8
255.15942	12.9
269.17459	4.5
283.15567	3.5
283.19034	3.1
297.20810	3.1
301.41531	1.3
311.18747	2.4
311.22040	10.2
313.27432	9.8
325.23822	2.5
339.25305	2.6
354.27744	4.3
355.28650	1.6
367.24344	2.3
367.28491	25.0
381.30081	6.5
395.31567	17.5
409.33157	6.0
423.34949	3.7
437.36414	3.3
438.36996	10.6
451.34311	1.6
493.38776	5.1
521.38391	1.6
522.39124	2.4
539.39441	100.0
540.39825	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
53.62676	1.3
55.01872	37.6
55.05259	2.1
55.05515	31.3
57.03435	8.1
57.07078	70.0
62.53392	1.4
65.03944	4.4
67.05505	50.2
69.03430	14.3
69.07067	22.0
69.37274	1.4
69.37673	10.9
71.01328	1.4
71.04997	4.0
71.08634	48.3
73.02918	7.7
79.05499	33.4
79.05959	2.1
81.03423	9.7
81.07057	55.6
82.04201	8.6
83.04986	17.5
83.08626	26.6
85.02927	4.0
85.06537	3.4
85.10185	28.7
85.10654	2.5
91.05476	25.2
91.06000	1.9
93.07044	24.2
94.07803	1.2
95.04967	20.0
95.08608	56.0
97.02914	5.2
97.06528	10.5
97.10169	16.0
98.07321	9.2
98.21321	4.7
99.04506	2.3
99.11747	2.2
102.05872	1.2
105.07044	15.5
107.04959	6.7
107.08594	13.3
108.05791	1.3
109.02913	1.5
109.06529	4.2
109.10152	26.2
111.04451	14.2
111.08124	5.9
111.11748	1.9
115.05556	1.5
116.04782	1.2
117.07036	6.3
119.08590	12.3
121.06522	2.7
121.10139	9.4
123.08078	6.9
123.11712	10.4
125.05979	1.5
125.09641	10.0
127.11227	4.6
129.07039	3.5
131.08580	6.8
133.10152	9.1
135.08063	3.0
135.11713	8.2
137.09625	2.8
137.13306	2.8
142.49365	1.2
143.08572	2.1
145.10138	9.1
147.08125	3.5
147.11720	4.4
149.09651	4.1
151.07530	1.9
151.14867	2.6
153.09140	1.7
153.12787	2.6
155.08664	1.6
157.10181	4.4
158.05820	5.8
159.11681	1.5
163.11206	8.4
165.09227	1.9
166.09773	1.2
171.06537	13.5
173.09676	2.9
175.11217	2.9
181.12297	3.2
185.08192	4.8
191.10722	3.2
193.12267	2.8
199.09705	2.2
209.11728	49.9
213.11249	2.9
227.12811	19.8
239.23688	16.7
241.14319	2.1
245.13895	2.5
255.15990	9.4
269.17480	2.1
283.12308	2.2
283.15411	18.8
283.18768	2.1
287.20142	5.8
288.20383	6.2
297.20819	2.0
311.22055	8.5
313.27341	18.1
325.23920	1.8
339.25418	1.8
341.26801	1.9
353.26968	2.8
354.27927	3.8
355.29471	1.5
367.28473	24.0
381.29871	6.1
395.31561	15.8
409.33359	3.6
415.28522	1.4
423.34912	4.2
437.36539	1.9
438.37143	9.6
493.39197	2.7
521.38361	11.5
539.39380	100.0
540.39734	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	539.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96171	0.6
52.34540	0.6
52.34866	0.7
53.03945	1.0
55.01869	1.1
55.05496	2.4
65.03929	0.6
67.05499	3.0
69.03435	1.6
69.07062	2.7
71.04994	1.0
71.57065	1.1
79.05492	2.8
81.03406	2.7
81.07060	7.5
83.04964	1.3
83.08633	0.8
85.02903	1.7
85.06535	1.6
85.10574	0.6
88.81595	0.7
91.05485	4.4
93.07038	5.0
94.04171	2.9
95.05006	1.4
95.08613	5.7
97.02909	1.7
97.06545	1.3
97.10169	0.9
103.05485	1.5
105.07045	3.1
107.04956	2.9
107.08591	4.7
109.02897	1.7
109.06509	1.9
109.10139	3.9
111.04479	0.9
111.08054	1.2
115.05475	0.8
117.07067	1.2
119.04932	1.4
119.08614	3.4
121.06470	1.2
121.10147	3.8
122.03625	6.2
123.11732	2.8
125.09658	1.2
127.03921	1.9
129.06984	0.9
131.04915	0.9
131.08551	1.3
133.08932	0.6
133.10124	1.9
135.04396	0.8
135.08044	1.3
135.11647	1.4
137.05983	100.0
137.09552	1.6
138.06296	0.8
139.11125	1.1
145.06448	0.8
145.10158	2.3
147.11743	1.5
149.05936	0.7
149.13258	2.2
151.03920	1.7
151.07567	4.2
151.11253	0.8
153.01820	6.6
153.05504	0.8
157.06505	0.7
159.11714	1.5
161.06001	2.1
161.09547	0.9
161.13213	1.0
163.07596	3.6
163.14755	0.7
165.09137	1.0
167.07033	2.3
171.02907	0.8
171.11673	0.7
173.06134	0.6
173.09569	1.0
175.07507	0.9
177.05460	0.8
179.07170	1.0
181.08589	1.5
187.07614	0.8
187.11198	1.1
189.09158	1.0
191.07146	0.7
199.07533	0.9
203.06856	1.0
204.07808	0.8
207.10153	0.7
213.09152	2.3
215.10649	0.9
217.08521	1.2
219.10185	0.6
223.16914	1.5
225.14774	1.3
231.08093	0.8
233.11662	0.7
247.07301	0.7
259.09769	1.7
275.10532	0.8
277.08447	0.8
279.10010	0.7
283.09457	0.9
291.10214	1.4
297.11282	0.8
302.09464	0.9
305.24823	1.4
311.12912	0.9
317.11841	1.2
321.11227	1.5
323.25851	0.9
336.13626	0.8
341.13803	1.7
349.14252	0.8
353.14142	0.8
355.15335	1.2
366.14172	0.9
367.15405	8.5
367.20261	1.2
369.12299	0.8
379.15497	2.0
397.16248	3.0
406.87924	0.7
449.29272	0.8
473.20023	0.8
491.20837	1.1
503.20587	2.2
521.21362	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
53.19115	2.5
55.05500	4.3
63.75462	2.4
67.05503	6.5
69.03426	5.6
69.07076	4.7
71.57995	5.2
75.39450	3.1
79.05505	8.9
81.03421	4.0
81.07055	14.0
83.04987	4.8
85.02920	6.0
85.06548	4.2
91.05477	17.3
93.07058	11.9
94.04202	3.1
95.04973	8.5
95.08614	9.3
97.02879	3.5
97.06548	3.4
98.21111	3.8
103.05516	3.4
105.07034	11.6
107.04952	10.8
107.08601	11.2
108.97782	2.7
109.02905	4.9
109.06521	6.2
109.10157	6.9
115.05449	5.3
117.07036	8.9
119.04957	9.2
119.08583	8.5
121.06489	6.4
121.10191	5.8
122.03647	6.7
123.04466	5.9
123.08065	9.8
123.11713	3.4
127.03947	4.8
128.06261	4.2
129.07005	10.0
131.04956	4.7
131.08533	4.8
133.10133	5.8
135.08023	6.2
135.11743	3.3
137.05977	100.0
145.06500	4.7
145.10114	4.5
147.04446	6.7
147.08105	5.0
147.11729	3.6
149.06001	7.8
149.09602	6.5
149.13243	3.8
151.03940	3.0
151.07553	53.6
153.01814	23.6
157.06506	6.5
159.07974	4.7
159.11763	3.3
160.05225	4.3
161.05988	43.5
161.09644	9.9
163.07602	11.0
163.11192	2.9
165.07019	5.9
165.09125	8.5
167.07066	20.0
171.11707	2.9
173.09601	5.5
174.06821	7.0
175.07556	31.0
177.09106	7.8
179.06815	3.0
189.09122	29.4
191.06947	3.6
191.08571	3.9
191.10640	4.5
194.07257	6.0
195.10202	15.2
205.06558	5.1
205.08563	3.8
207.08382	3.1
207.10194	15.2
215.10628	3.3
219.08109	5.2
219.10081	7.2
221.05968	5.6
222.06763	5.6
225.09071	6.3
225.14940	5.0
235.07562	5.1
237.09137	11.1
247.07401	3.4
248.08278	3.2
249.05577	2.8
249.09138	6.5
250.06294	3.4
251.10808	4.5
253.08809	5.4
263.07114	3.3
263.10843	2.8
265.08679	15.3
267.10266	3.8
277.08688	6.7
277.12195	3.2
279.10141	8.5
283.09625	5.8
285.11343	8.0
293.08170	3.4
295.09625	4.5
297.11285	20.1
299.12753	3.5
301.14651	3.0
309.11325	7.5
311.12805	27.2
311.35107	3.3
313.10706	6.3
315.12286	10.7
323.12915	11.7
327.12256	5.8
337.14429	25.1
341.13959	4.8
349.14267	5.2
355.15396	24.7
367.15436	16.0
443.55994	3.4
461.19354	4.8
479.20654	8.5
539.20721	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	539.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96171	0.6
52.34540	0.6
52.34866	0.7
53.03945	1.0
55.01869	1.1
55.05496	2.4
65.03929	0.6
67.05499	3.0
69.03435	1.6
69.07062	2.7
71.04994	1.0
71.57065	1.1
79.05492	2.8
81.03406	2.7
81.07060	7.5
83.04964	1.3
83.08633	0.8
85.02903	1.7
85.06535	1.6
85.10574	0.6
88.81595	0.7
91.05485	4.4
93.07038	5.0
94.04171	2.9
95.05006	1.4
95.08613	5.7
97.02909	1.7
97.06545	1.3
97.10169	0.9
103.05485	1.5
105.07045	3.1
107.04956	2.9
107.08591	4.7
109.02897	1.7
109.06509	1.9
109.10139	3.9
111.04479	0.9
111.08054	1.2
115.05475	0.8
117.07067	1.2
119.04932	1.4
119.08614	3.4
121.06470	1.2
121.10147	3.8
122.03625	6.2
123.11732	2.8
125.09658	1.2
127.03921	1.9
129.06984	0.9
131.04915	0.9
131.08551	1.3
133.08932	0.6
133.10124	1.9
135.04396	0.8
135.08044	1.3
135.11647	1.4
137.05983	100.0
137.09552	1.6
138.06296	0.8
139.11125	1.1
145.06448	0.8
145.10158	2.3
147.11743	1.5
149.05936	0.7
149.13258	2.2
151.03920	1.7
151.07567	4.2
151.11253	0.8
153.01820	6.6
153.05504	0.8
157.06505	0.7
159.11714	1.5
161.06001	2.1
161.09547	0.9
161.13213	1.0
163.07596	3.6
163.14755	0.7
165.09137	1.0
167.07033	2.3
171.02907	0.8
171.11673	0.7
173.06134	0.6
173.09569	1.0
175.07507	0.9
177.05460	0.8
179.07170	1.0
181.08589	1.5
187.07614	0.8
187.11198	1.1
189.09158	1.0
191.07146	0.7
199.07533	0.9
203.06856	1.0
204.07808	0.8
207.10153	0.7
213.09152	2.3
215.10649	0.9
217.08521	1.2
219.10185	0.6
223.16914	1.5
225.14774	1.3
231.08093	0.8
233.11662	0.7
247.07301	0.7
259.09769	1.7
275.10532	0.8
277.08447	0.8
279.10010	0.7
283.09457	0.9
291.10214	1.4
297.11282	0.8
302.09464	0.9
305.24823	1.4
311.12912	0.9
317.11841	1.2
321.11227	1.5
323.25851	0.9
336.13626	0.8
341.13803	1.7
349.14252	0.8
353.14142	0.8
355.15335	1.2
366.14172	0.9
367.15405	8.5
367.20261	1.2
369.12299	0.8
379.15497	2.0
397.16248	3.0
406.87924	0.7
449.29272	0.8
473.20023	0.8
491.20837	1.1
503.20587	2.2
521.21362	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92320	2.1
53.03973	2.1
61.42165	1.9
62.01223	1.9
67.05503	4.6
69.03421	3.6
69.07047	3.5
69.45848	10.7
79.01850	3.1
81.03416	6.8
81.07049	6.7
83.05013	2.9
85.02910	4.8
85.06555	3.1
91.05504	2.9
93.07051	5.9
95.04984	2.6
95.08596	16.1
97.02880	2.5
105.07024	4.5
107.08597	5.3
109.02876	6.3
109.06496	4.7
109.10135	4.0
119.08598	8.1
121.10155	5.7
123.08070	6.0
123.11749	2.6
125.02348	3.5
127.03942	9.4
133.06509	2.4
133.10176	4.2
135.11722	5.5
137.06009	3.2
143.03372	3.7
147.11728	2.7
149.09631	9.4
153.01834	100.0
153.02838	4.5
161.13249	7.4
165.09131	2.1
165.12776	2.6
171.02917	7.7
181.12189	2.8
187.19940	2.0
189.12669	9.3
195.11569	1.9
207.13791	18.6
210.15790	2.5
225.14882	2.9
297.06073	6.2
313.14392	2.3
315.07104	11.0
346.97943	2.0
512.15546	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	539.2124
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
53.07430	1.4
65.03961	1.6
67.05502	2.9
69.03432	6.3
70.06580	2.3
70.84258	2.5
70.84612	3.7
76.44850	1.4
79.01862	4.0
79.05491	3.3
81.03417	5.0
81.07042	5.0
81.26875	1.4
83.04973	2.8
85.02905	14.7
91.05499	6.6
93.07056	5.3
95.04968	6.5
95.08622	3.5
97.02906	3.6
97.06538	1.9
98.21090	2.6
105.07015	4.8
107.05061	1.7
107.08600	24.8
109.02898	4.1
109.06506	2.5
109.10115	2.2
111.08134	1.8
116.86899	1.4
119.08571	4.8
121.06475	2.0
121.10167	5.3
123.08054	4.5
125.02339	4.8
127.03918	7.4
131.08582	12.5
135.08055	3.5
135.11685	2.6
137.09610	4.0
143.03403	5.8
147.08041	1.7
147.11708	4.1
149.09615	4.7
153.01834	100.0
153.02751	3.6
156.09312	1.8
161.13231	1.6
163.11200	2.2
164.07149	1.7
165.09120	2.6
171.02858	10.0
181.12265	4.7
189.12753	6.8
196.04219	1.5
207.13823	12.1
225.14879	7.0
297.06073	6.1
315.07098	9.9
539.18414	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	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
53.19115	2.5
55.05500	4.3
63.75462	2.4
67.05503	6.5
69.03426	5.6
69.07076	4.7
71.57995	5.2
75.39450	3.1
79.05505	8.9
81.03421	4.0
81.07055	14.0
83.04987	4.8
85.02920	6.0
85.06548	4.2
91.05477	17.3
93.07058	11.9
94.04202	3.1
95.04973	8.5
95.08614	9.3
97.02879	3.5
97.06548	3.4
98.21111	3.8
103.05516	3.4
105.07034	11.6
107.04952	10.8
107.08601	11.2
108.97782	2.7
109.02905	4.9
109.06521	6.2
109.10157	6.9
115.05449	5.3
117.07036	8.9
119.04957	9.2
119.08583	8.5
121.06489	6.4
121.10191	5.8
122.03647	6.7
123.04466	5.9
123.08065	9.8
123.11713	3.4
127.03947	4.8
128.06261	4.2
129.07005	10.0
131.04956	4.7
131.08533	4.8
133.10133	5.8
135.08023	6.2
135.11743	3.3
137.05977	100.0
145.06500	4.7
145.10114	4.5
147.04446	6.7
147.08105	5.0
147.11729	3.6
149.06001	7.8
149.09602	6.5
149.13243	3.8
151.03940	3.0
151.07553	53.6
153.01814	23.6
157.06506	6.5
159.07974	4.7
159.11763	3.3
160.05225	4.3
161.05988	43.5
161.09644	9.9
163.07602	11.0
163.11192	2.9
165.07019	5.9
165.09125	8.5
167.07066	20.0
171.11707	2.9
173.09601	5.5
174.06821	7.0
175.07556	31.0
177.09106	7.8
179.06815	3.0
189.09122	29.4
191.06947	3.6
191.08571	3.9
191.10640	4.5
194.07257	6.0
195.10202	15.2
205.06558	5.1
205.08563	3.8
207.08382	3.1
207.10194	15.2
215.10628	3.3
219.08109	5.2
219.10081	7.2
221.05968	5.6
222.06763	5.6
225.09071	6.3
225.14940	5.0
235.07562	5.1
237.09137	11.1
247.07401	3.4
248.08278	3.2
249.05577	2.8
249.09138	6.5
250.06294	3.4
251.10808	4.5
253.08809	5.4
263.07114	3.3
263.10843	2.8
265.08679	15.3
267.10266	3.8
277.08688	6.7
277.12195	3.2
279.10141	8.5
283.09625	5.8
285.11343	8.0
293.08170	3.4
295.09625	4.5
297.11285	20.1
299.12753	3.5
301.14651	3.0
309.11325	7.5
311.12805	27.2
311.35107	3.3
313.10706	6.3
315.12286	10.7
323.12915	11.7
327.12256	5.8
337.14429	25.1
341.13959	4.8
349.14267	5.2
355.15396	24.7
367.15436	16.0
443.55994	3.4
461.19354	4.8
479.20654	8.5
539.20721	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	539.2125
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
53.03939	1.7
55.05503	1.8
57.03434	0.6
67.05499	1.4
69.03432	3.5
69.07066	0.8
70.04163	0.8
70.04555	1.3
71.04978	0.9
74.71344	0.5
79.01846	3.2
79.05489	1.1
81.03423	6.1
81.07073	1.3
83.04961	0.5
85.02898	3.2
91.05478	1.8
93.07027	2.2
95.04964	1.1
95.08605	2.4
97.02898	5.6
98.21039	1.1
99.04457	1.7
105.07039	4.2
107.01318	2.3
107.08600	5.2
109.02895	5.5
109.06539	1.4
109.10150	2.4
111.79182	0.5
117.07007	0.5
119.08577	9.1
120.08980	0.6
121.06506	1.7
121.10146	2.2
123.08080	9.1
125.02363	2.9
127.03930	6.6
129.06967	0.6
131.08545	1.1
133.10120	1.7
135.08055	2.4
135.11697	0.6
137.09624	4.1
143.03397	4.9
145.05017	1.4
147.08040	1.8
147.11684	6.0
149.09621	3.3
153.01836	100.0
153.02805	4.0
153.09064	0.7
154.02217	0.9
156.09352	1.1
159.11696	5.1
161.09625	0.6
161.13283	5.3
165.09067	0.8
170.67113	0.6
171.02892	11.9
171.11731	0.9
174.10442	0.7
177.12761	2.8
189.12740	4.8
207.13818	23.3
208.14088	0.8
225.14876	3.5
230.47035	0.6
297.06082	8.4
315.07120	9.2
423.15860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18490	1.6
70.82012	2.6
70.82352	4.0
74.43792	2.1
79.01844	3.3
81.03420	7.1
81.07047	2.4
83.53270	1.8
85.02905	5.2
91.05473	3.5
93.07054	2.6
95.04951	2.1
97.02892	4.4
97.06496	2.1
98.21205	3.4
103.63567	1.8
105.07009	2.8
107.08605	3.8
109.02880	2.7
109.10169	5.0
109.69540	1.6
113.03474	2.3
119.08544	2.2
125.02339	3.0
127.03903	5.7
135.08060	2.9
137.09615	8.7
143.03432	3.9
153.01831	100.0
154.02174	2.2
161.09612	2.1
165.09055	2.1
171.02901	13.0
207.10275	2.3
207.13831	2.2
211.10849	3.3
225.14864	3.5
293.11118	2.1
297.06073	4.2
298.75797	1.8
309.90240	1.8
315.07007	13.5
539.18085	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	539.2123
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.02374	0.8
53.03935	1.7
55.05506	1.3
67.05485	1.5
69.03423	3.6
69.07052	1.1
71.04971	1.1
71.13560	1.0
79.01833	3.1
79.05489	1.3
81.03420	7.3
81.07055	2.3
83.04973	0.7
83.08619	0.5
85.02920	3.5
85.06521	0.7
91.05467	2.2
93.07057	1.6
95.04921	1.0
95.08598	1.8
97.02900	5.3
97.06488	0.7
99.04467	1.4
105.07021	1.7
107.01306	2.3
107.04967	1.2
107.08587	1.8
109.02879	4.8
109.06493	0.9
109.10159	3.1
119.08532	3.0
121.06503	0.7
121.10118	1.5
123.08050	2.1
123.11730	1.1
125.02354	2.9
127.03915	6.6
131.08661	0.6
133.06415	0.8
133.10106	1.9
135.08087	0.7
135.11665	0.8
135.38033	0.7
137.05991	2.8
137.09630	6.9
137.13243	0.8
139.11206	1.1
143.03416	5.3
145.10059	0.7
147.11723	0.7
149.09680	2.9
151.07516	3.0
153.01831	100.0
153.02763	3.6
153.09082	1.2
161.13268	1.0
161.18558	0.5
163.07516	0.8
163.11209	2.5
165.09117	74.9
167.07025	1.7
171.02887	9.5
171.11827	0.8
174.10405	1.0
177.09058	0.8
189.12781	6.6
207.13799	19.3
208.14168	0.7
225.14854	7.7
297.05975	4.8
312.57700	0.7
315.07120	8.2
358.14462	0.7
360.13986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
52.90234	0.7
53.03936	2.3
55.01861	1.0
55.05500	1.8
55.63021	0.6
56.31971	0.6
57.03431	1.2
57.07072	1.2
59.04967	0.7
67.05505	4.5
69.03429	9.4
69.07066	1.7
70.37659	1.8
71.04990	1.8
79.01869	3.9
79.05511	3.2
81.03422	8.7
81.07058	8.0
83.04979	3.2
83.08614	0.7
85.02898	4.2
85.06538	1.4
87.04476	3.5
91.05504	4.4
93.07069	5.9
95.04967	3.0
95.08611	9.4
97.02892	4.6
97.06535	1.9
97.84250	0.6
99.04449	1.4
99.08092	1.9
103.05468	1.0
105.07043	8.0
107.01308	1.9
107.04963	2.4
107.08609	5.8
109.02892	5.3
109.06516	3.0
109.10158	4.8
111.04470	0.8
111.08086	1.8
113.09660	2.1
117.07028	1.3
119.04857	0.8
119.08582	5.8
121.02882	1.7
121.06544	1.5
121.10139	7.7
121.77345	0.7
123.04457	1.1
123.08051	3.1
123.11697	2.7
125.02374	3.6
125.09663	1.2
127.03907	6.8
131.08542	1.6
133.06512	2.2
133.10129	2.0
135.08057	1.7
135.11668	2.5
137.06006	5.3
137.09642	8.6
139.11194	14.0
143.03381	5.8
145.04970	1.1
145.10141	4.1
147.08040	2.1
147.11691	3.5
149.09618	4.9
149.13295	1.3
151.03912	1.2
151.07503	3.3
153.01837	100.0
153.12674	0.8
154.02193	1.2
159.11690	1.4
161.05989	3.0
161.13237	2.8
163.07564	1.3
163.11185	16.7
165.09119	12.0
165.12767	2.0
167.07054	2.1
167.10695	1.4
169.08569	1.0
171.02885	9.5
171.11722	1.6
171.13792	0.8
175.07535	0.9
177.12767	1.6
181.08673	0.9
189.09207	1.3
189.12727	6.9
195.10251	1.4
205.15962	0.7
207.10234	1.1
207.13808	13.3
225.14865	19.8
259.09592	0.6
297.06125	6.7
305.24722	1.6
315.07068	6.6
323.25726	1.8
509.21246	1.0
539.24951	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	538.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.05507	11.8
57.03439	6.2
57.07071	3.4
67.05498	19.8
69.03432	8.7
69.07075	36.4
71.04988	5.8
71.58038	2.9
75.39011	2.4
78.81287	2.4
79.05494	18.1
81.03417	7.9
81.07056	38.1
83.04980	5.1
83.08608	4.6
85.02911	4.4
85.06546	3.8
91.05485	11.9
93.07049	48.2
95.04978	8.2
95.08608	57.7
97.02882	6.0
97.06541	8.5
97.10225	3.6
99.04488	3.1
105.07026	15.5
107.04964	3.5
107.08582	27.6
109.02882	3.6
109.06534	6.4
109.10162	26.8
111.08098	4.8
111.11728	5.4
113.85992	2.2
119.08595	9.7
121.06512	3.4
121.10146	56.7
122.06881	2.8
123.08076	10.4
123.11732	9.9
125.09643	8.6
127.03922	4.1
131.08528	5.9
133.10139	7.1
135.11696	9.7
137.05934	5.4
137.09642	7.2
139.07570	3.9
139.11208	18.2
145.10107	3.8
147.04388	4.3
147.08047	2.3
147.11720	5.1
149.09662	6.4
149.13225	5.5
151.11205	4.1
153.01862	7.8
153.12721	3.1
161.13223	3.9
163.11230	4.7
165.12823	3.9
167.03384	16.0
167.06969	5.8
167.10670	29.4
175.14877	4.1
178.04982	47.4
181.12206	3.5
193.15962	6.0
209.07358	2.5
211.10898	2.3
211.16992	3.5
215.10727	2.7
287.23676	6.6
305.24698	18.9
323.12930	2.8
323.25809	100.0
329.08731	2.7
538.19971	2.9
543.17188	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01872	3.4
55.05513	19.4
57.03437	12.2
57.07081	35.6
65.03934	4.7
67.05507	50.4
69.07074	20.6
71.04985	3.6
71.08635	22.0
71.25168	3.3
79.05496	56.8
79.05959	2.8
81.03418	7.1
81.07062	52.2
83.04984	12.6
83.08618	18.3
83.79886	1.6
85.06533	2.2
85.10188	17.8
91.05478	55.4
91.06001	3.0
93.07051	56.3
93.07627	3.5
95.04942	12.2
95.08608	42.0
97.06536	3.0
97.10187	9.6
105.04549	3.5
105.07040	34.1
107.04961	6.5
107.08614	16.5
109.06493	3.8
109.10162	11.5
117.07018	8.3
119.08585	20.5
121.06500	3.2
121.10140	4.2
123.08069	4.6
123.11717	4.9
129.07019	14.0
131.08598	4.4
133.06461	1.9
133.10149	11.4
135.11694	3.8
135.73523	1.8
143.08545	5.6
145.10165	8.6
147.08060	2.0
147.11687	35.4
156.09317	1.9
161.09590	4.4
161.13275	10.4
167.05551	2.7
171.11697	27.4
179.78285	1.8
189.12775	14.5
197.90144	1.8
207.13841	33.1
225.15031	2.8
239.23799	4.1
257.24677	2.2
281.17514	59.0
282.27902	6.1
299.06064	2.7
300.06250	3.8
313.27368	74.7
519.40436	100.0
520.40839	2.9
537.41541	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.05500	6.8
57.03415	1.9
57.07079	16.3
61.07682	2.4
67.05511	21.4
69.07060	6.5
71.08632	10.3
74.75006	1.9
76.88150	1.9
79.05495	25.4
81.07063	16.5
83.04967	2.0
83.08613	4.7
85.10180	4.4
90.52205	1.9
91.05466	16.5
93.07037	19.9
95.04975	7.5
95.08612	16.2
97.10155	3.1
105.04488	2.4
105.07030	13.1
107.04972	2.6
107.08573	4.4
109.10164	4.3
119.08573	6.7
129.06989	5.4
143.08571	4.0
147.11714	12.0
171.11696	8.3
183.07913	2.3
207.13837	9.8
230.33163	2.1
231.25374	2.3
281.17493	14.4
281.29523	28.0
282.27921	100.0
299.06165	3.5
299.30582	22.7
313.27359	27.4
519.40424	28.2
537.53485	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	538.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.9
55.01868	0.7
55.04255	0.5
58.06594	0.4
60.56749	0.5
67.05530	0.7
68.06931	0.5
68.99793	1.4
69.03448	0.6
70.00982	2.1
70.06595	100.0
73.02940	0.5
79.01851	0.5
79.05512	1.3
81.03416	1.0
81.07056	1.8
91.05491	1.5
93.07050	1.8
95.04985	1.1
97.02885	0.8
98.21133	1.3
103.05482	1.9
105.07092	1.1
107.04973	1.3
109.02944	0.5
109.06518	0.8
109.10096	0.5
119.04961	0.9
121.06535	4.2
121.10144	1.0
123.04442	8.2
127.03922	0.7
131.04956	1.1
133.06525	0.9
135.04440	2.5
137.06055	0.6
143.03444	1.0
147.04388	4.9
149.05989	7.9
153.01836	12.7
153.02769	0.6
154.02237	0.5
159.04395	1.3
161.05986	3.1
165.05495	3.1
173.06116	0.5
175.07564	1.1
177.05479	67.8
178.05875	1.1
189.05478	5.0
209.15326	1.1
227.16338	0.5
234.11229	3.3
251.07838	0.5
311.09125	3.2
329.10294	2.9
330.11609	0.5
359.56409	0.6
363.82831	0.5
481.11227	6.7
538.17096	34.1
539.17395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19953	5.8
52.57955	5.5
55.01852	8.0
55.05496	22.7
56.25719	6.7
57.03455	6.3
57.07057	9.1
59.04995	8.9
65.03931	7.2
67.05507	39.0
69.03412	28.3
69.07063	48.0
71.04979	15.5
71.57984	8.9
79.05507	44.8
81.03423	19.4
81.07054	87.3
83.04987	15.0
83.18530	6.4
85.02885	22.1
85.06535	15.0
91.05461	23.5
93.07052	82.1
94.12208	5.8
95.04943	21.2
95.08615	77.9
97.02879	10.5
97.06500	17.0
97.10157	10.3
99.04433	10.5
103.05494	9.2
105.07037	43.8
107.04937	11.4
107.08599	63.1
109.06545	13.8
109.10162	66.6
111.08048	10.1
114.63464	6.4
119.08572	44.4
121.06477	8.4
121.10149	77.8
123.04458	8.0
123.08061	13.5
123.11684	29.7
125.02333	7.3
125.09621	16.4
127.03888	9.9
131.04974	9.2
131.08553	18.7
133.10165	33.2
135.08017	10.1
135.11682	30.4
137.05931	22.1
137.09589	15.2
137.13289	7.3
139.03844	6.8
139.11183	11.5
141.61076	5.9
143.10664	7.4
145.10118	26.7
147.04388	15.4
147.11682	25.3
149.13272	24.0
151.11201	15.2
152.07082	40.6
153.01823	38.3
159.11736	16.7
161.05951	8.0
161.09686	9.3
161.13278	11.7
167.03389	14.8
167.07042	23.0
167.10675	18.6
170.08142	37.2
173.09651	9.0
173.13263	14.9
175.14876	12.4
175.96173	6.7
177.05505	10.6
178.04947	22.3
181.98482	7.1
189.12668	7.6
189.16354	10.4
191.14328	6.2
193.08595	6.9
193.15825	7.3
207.13829	11.3
209.15340	10.6
269.22601	7.8
275.23828	8.0
275.95453	6.8
287.23679	19.9
293.24762	20.3
299.06433	8.3
305.24789	52.2
323.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53250	0.7
52.10107	0.8
53.03934	2.3
55.01884	0.8
55.05507	1.4
57.03411	0.8
65.03960	1.3
66.91650	0.6
67.05504	1.5
68.80714	0.7
69.03425	4.7
69.07056	1.1
71.05001	1.4
71.47701	0.7
71.56926	0.8
75.14259	0.7
76.02214	0.9
79.01849	3.6
79.05464	1.2
81.03419	8.0
81.07056	2.4
83.04974	1.5
84.04530	1.1
85.02890	3.8
87.64241	0.8
91.05453	1.8
93.07043	3.6
95.04953	1.9
95.08604	3.3
97.02879	5.9
99.04443	1.3
103.03899	0.8
105.07029	2.2
107.01321	1.1
107.08595	2.7
109.02872	6.3
111.04465	0.9
119.08591	3.3
121.06499	1.8
121.10114	1.8
121.96828	0.8
123.08097	2.4
125.02350	3.8
127.03930	8.2
129.05481	1.3
129.07079	0.8
131.08566	1.0
131.13562	0.8
133.10112	1.8
135.08063	6.3
135.11668	1.2
137.05965	3.8
137.09612	1.5
140.44858	0.8
143.03343	3.8
145.04947	1.3
145.10121	0.8
147.07967	1.5
151.03894	1.0
151.07425	0.8
153.01836	100.0
154.02208	0.8
159.11714	3.5
163.11124	1.6
165.09116	9.6
171.02890	10.9
175.11218	3.9
177.05525	0.9
177.12733	4.1
179.04921	1.2
179.07086	1.0
179.10727	1.0
190.88708	0.9
205.08751	1.0
205.12312	4.9
207.13773	1.4
215.89873	0.7
223.11017	1.2
223.13219	9.0
225.14911	0.9
297.06097	7.3
303.04831	1.1
315.07135	10.1
321.55496	0.8
537.16144	1.4
564.19238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	6.2
53.03934	3.5
55.01637	1.0
55.01864	4.8
55.05260	1.5
55.05513	25.4
57.03444	1.8
57.07079	50.7
59.04988	2.2
61.55355	1.0
65.03947	1.6
67.05506	35.0
68.18778	1.0
69.03423	2.1
69.06715	1.4
69.07070	17.5
69.61942	7.1
71.01347	2.4
71.04980	2.8
71.08635	36.0
71.35284	0.9
73.02902	0.9
74.09727	5.3
79.05502	16.3
81.03423	8.1
81.07060	44.4
83.01355	1.1
83.05001	4.9
83.08627	22.9
84.12070	1.0
85.06533	1.8
85.10187	20.2
91.05479	28.0
91.06357	1.1
93.07047	21.0
94.90100	1.2
95.04975	8.1
95.08614	33.9
97.02899	5.2
97.06525	4.7
97.10180	10.9
98.21046	3.6
99.00826	15.9
99.04536	1.0
99.08101	1.7
99.11752	2.1
103.05479	2.4
105.07038	20.9
107.04954	6.9
107.08600	7.8
109.02884	9.2
109.06511	3.3
109.10163	21.4
111.04437	2.9
111.08080	5.0
111.11725	1.9
115.03934	2.1
115.05375	1.2
117.07025	5.2
119.04928	1.5
119.08579	8.9
121.06525	7.5
121.10187	2.2
123.04432	1.5
123.08102	1.7
123.11741	8.1
125.13235	1.6
127.03919	3.6
128.06236	1.7
129.07034	2.2
131.08597	2.5
133.06500	2.1
133.10132	36.1
135.08073	1.3
135.11662	1.3
137.06004	3.6
137.13261	2.0
139.07526	2.6
143.08571	5.2
145.06456	1.4
145.10179	1.1
147.08089	1.6
151.11206	10.8
151.14803	1.8
161.09624	21.7
163.11145	1.7
167.07034	1.1
168.05345	1.0
171.08075	4.7
179.10684	14.5
189.09111	13.2
197.11755	5.5
207.10175	4.8
221.22708	1.7
225.11223	20.2
225.13316	1.3
239.23705	9.7
243.12471	4.9
281.13821	4.0
299.06082	1.3
313.27420	1.2
337.05780	1.0
519.28259	1.0
537.37872	100.0
538.38000	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.01852	2.3
55.05511	18.8
57.03438	9.2
57.07076	42.9
65.03944	2.2
67.05505	32.9
69.03426	3.3
69.07070	16.3
71.05007	4.2
71.08630	29.3
77.51574	1.1
79.05491	18.9
81.02077	1.1
81.03416	43.7
81.07054	36.0
81.07507	2.0
83.04980	7.9
83.08619	25.8
85.02901	22.7
85.06548	1.4
85.10172	17.9
91.05469	20.3
93.07054	12.9
95.04971	20.2
95.05554	1.5
95.08604	34.4
97.02924	2.0
97.06542	2.6
97.10179	12.7
98.20845	5.5
98.21528	2.2
105.07024	14.4
107.04377	1.0
107.04935	4.9
107.08590	6.3
109.06557	3.3
109.10157	12.7
111.04532	1.7
111.08093	8.1
111.11748	2.4
113.06042	2.8
113.13275	1.3
117.07094	1.1
119.08578	12.4
121.10119	6.2
123.08070	1.4
123.11684	5.2
125.05975	1.1
129.07022	6.9
131.08585	7.3
133.10095	5.7
137.05983	1.2
137.09631	1.5
137.13304	2.5
142.07852	2.4
143.94724	1.3
145.10188	1.6
147.08055	1.2
147.11693	10.8
149.09651	3.9
150.64153	1.2
157.10141	6.8
163.11226	1.7
165.12822	2.2
167.07002	1.8
175.11189	9.3
193.12245	40.2
211.13290	45.4
227.12828	1.6
245.13966	1.4
253.25267	4.8
267.15878	5.4
327.28958	6.1
519.40466	2.2
537.41699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.9
55.05515	20.5
57.03428	15.1
57.07080	43.4
59.17352	3.4
65.03941	4.4
65.88593	3.5
66.90530	3.5
67.05508	54.7
69.03445	3.8
69.07066	18.7
71.04986	3.7
71.08630	28.8
79.05051	5.0
79.05495	60.7
81.03408	7.1
81.07061	54.1
83.04975	13.6
83.08613	15.4
85.10185	15.7
91.05478	54.7
93.07047	55.7
95.04959	18.3
95.08610	44.8
97.06523	5.0
97.10144	8.9
98.20698	6.6
98.21397	18.2
103.07561	3.2
105.07045	29.0
107.04932	5.8
107.08609	18.7
109.06517	4.5
109.10159	13.4
117.07009	10.7
119.08585	22.3
121.10142	3.6
123.08054	4.0
123.11697	5.1
129.07011	12.2
133.10129	12.7
135.11696	3.9
143.08626	6.9
145.10103	12.6
147.11700	32.2
161.09651	4.5
161.13275	7.1
171.11703	23.5
189.12761	10.3
207.13847	24.6
229.42049	3.5
239.23723	6.3
278.56985	3.2
281.17493	63.0
299.06073	3.5
313.27371	57.8
490.06375	3.8
519.40466	100.0
519.48236	5.4
528.45746	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01871	2.6
55.05511	23.0
57.03442	12.9
57.06816	3.6
57.07076	44.9
65.03939	3.5
67.05506	70.5
69.07072	18.8
69.94636	2.0
71.08634	28.7
79.05494	75.5
81.03403	6.9
81.07058	56.7
82.07407	2.6
83.04980	12.7
83.08618	17.0
85.06529	4.1
85.10179	14.4
91.04897	2.4
91.05476	64.7
93.07047	71.2
95.04976	22.2
95.08607	48.1
97.06509	3.7
97.10179	8.9
98.20960	16.7
105.07029	40.8
107.04967	6.0
107.08602	15.3
109.06533	6.2
109.10151	12.8
111.76805	2.3
117.07019	8.8
119.08583	26.4
121.06496	5.0
121.10139	5.5
121.16475	2.2
123.08101	4.9
123.11709	3.7
127.07579	2.5
129.06979	15.7
131.08609	2.6
133.10152	9.1
135.11673	2.1
143.08551	7.3
145.10127	13.4
147.11684	42.7
161.09584	5.5
161.13264	10.5
167.05563	2.4
171.11682	36.0
176.74228	2.6
181.69548	2.1
189.12746	11.7
189.90930	2.1
207.13824	34.1
225.14818	4.1
239.23560	4.1
281.17468	61.7
313.27362	82.8
317.70349	2.2
344.91653	2.1
384.20850	2.6
503.06430	2.3
519.40472	100.0
519.48322	4.7
537.24811	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	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02098	3.3
57.03440	5.1
69.03432	21.6
70.00221	7.8
70.00610	13.8
71.29404	3.1
73.02919	17.1
73.03246	3.2
79.05486	11.0
81.07034	4.5
83.89816	3.3
85.02905	41.0
91.05453	22.7
93.07059	20.5
95.04942	5.9
95.08616	7.3
97.02902	17.0
97.06573	5.2
98.20765	3.6
105.07040	12.5
107.08592	100.0
109.06512	12.0
115.03925	11.9
116.06231	5.9
119.08572	12.7
121.06438	4.0
121.10135	12.4
123.11703	4.9
127.03893	9.0
127.07568	5.1
131.08568	80.6
133.04971	11.8
137.09608	9.5
139.01024	4.3
145.02843	3.8
145.04944	8.4
145.10123	6.8
147.11694	20.9
149.09619	38.0
153.01811	23.7
163.06009	5.5
165.12799	5.9
167.05537	4.8
171.11656	4.5
174.79845	3.4
176.07060	5.0
177.05452	6.1
189.12730	62.6
207.13808	66.8
222.07629	4.8
243.00314	4.1
259.08212	6.9
295.10162	5.8
299.06128	7.0
339.18008	5.6
511.34381	4.6
536.05035	7.4
536.19702	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	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01871	2.4
55.05498	0.8
57.03440	4.8
61.02912	2.5
63.41173	0.5
67.05489	1.2
69.03070	0.7
69.03429	9.7
69.65639	2.9
71.01360	1.2
71.04988	0.8
73.02919	16.6
75.55322	0.5
79.05490	1.2
81.03416	2.0
81.07053	1.1
83.04974	1.7
85.02904	15.8
87.04456	1.2
88.37398	0.5
91.03960	0.9
93.07047	1.2
95.04964	1.6
95.08607	2.8
97.02898	13.3
97.06505	1.1
98.20989	1.9
99.04483	0.8
99.08085	0.6
103.03949	0.9
105.07024	1.4
105.07684	0.5
107.08591	1.6
109.02885	2.0
109.06528	2.8
111.04476	1.2
113.03478	1.3
115.03929	5.7
119.08578	1.2
121.06498	1.3
121.10139	4.4
123.08070	100.0
124.08443	0.7
125.05999	0.6
125.09558	0.6
127.03927	5.8
131.04762	0.6
133.04984	5.7
135.11702	0.7
137.09607	1.8
145.04962	6.8
145.10136	0.9
147.04399	0.6
147.11711	0.8
149.09634	3.1
151.11209	4.6
153.01849	2.1
157.10262	0.6
161.13274	0.6
163.06021	2.7
163.11224	2.5
165.05499	1.0
167.05597	0.8
167.10707	1.6
181.12231	11.6
189.12717	1.3
198.13655	0.5
199.82590	0.5
207.13823	9.5
210.01950	0.6
223.06039	1.7
224.76978	0.5
225.14859	36.4
226.15175	0.7
241.07018	1.7
259.08115	2.0
267.98389	0.5
278.16516	0.5
295.10309	1.0
299.06195	1.1
317.10312	0.8
344.94025	0.6
357.19391	0.7
471.10675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72910	5.1
53.03954	4.9
55.05500	17.4
56.35935	5.0
57.03425	6.2
57.07073	28.5
59.69069	4.8
67.05490	19.5
69.07070	23.1
71.04993	10.2
71.33100	4.0
79.05486	21.1
81.07059	100.0
83.08614	15.9
85.06561	33.1
91.05482	15.6
93.07037	38.0
95.04960	7.8
95.08610	73.0
97.02874	7.5
97.06487	6.9
97.10142	6.5
98.20948	27.6
105.07018	26.0
105.86229	4.5
107.08607	40.1
109.06488	8.3
109.10161	45.9
119.08543	14.0
121.06517	5.8
121.10142	28.0
122.68526	4.5
123.08058	14.5
123.11703	35.9
127.07538	9.7
127.11117	6.2
129.75743	5.1
131.04919	6.1
133.10132	13.2
135.11700	23.2
136.03493	5.0
137.05986	24.0
137.09520	5.6
137.13242	25.9
145.10098	11.9
147.04314	5.1
147.11679	16.2
149.09625	10.0
149.13280	29.9
151.07527	9.9
155.14284	5.4
157.10138	7.0
159.11703	12.6
161.13243	17.5
163.11256	5.4
165.12772	7.8
167.07031	13.1
167.10776	6.5
171.11685	7.1
173.13219	6.6
191.17856	6.3
204.62779	4.7
205.19470	6.3
217.19554	6.9
263.20059	19.8
281.21198	5.0
283.09756	6.3
283.24011	4.7
291.26923	8.1
301.25214	26.4
319.26334	94.7
337.27371	66.1
355.28470	14.7
535.19568	10.0
535.27460	5.3
536.34998	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	535.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.9
53.03937	4.2
55.01856	3.0
55.05259	2.0
55.05508	22.1
57.03431	3.0
57.07074	44.2
60.03356	1.0
65.03928	3.1
67.05506	42.2
69.03423	2.2
69.07063	16.7
71.04991	2.7
71.08632	31.3
71.57564	1.4
74.09726	5.1
74.73189	1.1
79.05489	29.0
81.03413	11.4
81.07060	44.4
83.04989	6.1
83.08615	16.6
85.02923	1.5
85.06544	1.5
85.10188	15.7
87.94995	0.9
91.05473	18.5
93.07043	21.6
95.04973	26.9
95.08606	38.0
97.02907	2.3
97.06542	2.6
97.10167	10.6
105.07052	8.8
107.04956	15.7
107.08611	10.7
109.02857	1.2
109.06499	2.1
109.10160	16.5
111.08118	1.8
117.07013	9.6
119.08585	4.1
121.06493	7.9
121.10146	3.5
123.08073	2.4
123.11709	7.1
125.09629	1.9
129.07053	2.1
131.08578	7.5
133.10155	4.2
135.08044	4.0
135.11710	2.5
137.13277	2.4
141.06996	2.1
145.10155	4.5
147.11780	1.5
149.09631	1.5
149.13303	2.7
157.10019	1.2
159.11693	6.9
167.07030	1.1
169.10176	1.4
177.12743	4.1
187.11221	3.2
205.12265	7.8
207.13840	1.3
223.13286	74.6
227.12674	1.0
231.33640	1.3
239.23669	8.0
251.36714	1.1
279.15903	7.9
297.16995	1.2
313.27402	7.6
334.89874	1.0
423.65421	1.1
442.92780	1.2
517.38660	3.0
535.39929	100.0
558.51794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01853	1.4
57.03437	3.7
61.02932	6.0
69.03434	11.6
70.21070	2.5
71.04987	1.6
73.02907	2.0
79.05486	2.7
81.03426	5.8
83.01379	0.7
83.04948	0.6
85.02911	66.1
87.04467	1.0
91.03973	3.8
91.05481	1.9
93.07052	1.0
95.04973	1.1
96.04393	0.6
96.23811	0.6
97.02898	18.0
98.21188	1.6
99.04462	3.0
103.05466	2.2
105.07037	4.8
107.04961	43.5
107.08595	1.5
108.04492	0.6
109.02889	5.6
110.51936	0.5
115.05448	2.6
116.14982	0.6
117.07027	1.0
120.05732	0.9
123.94787	0.6
124.29769	0.6
127.03925	16.0
133.10101	0.6
135.08060	12.8
140.08887	0.5
144.06546	3.9
145.04971	25.4
145.07591	1.3
153.01830	1.0
162.07605	1.7
163.06056	8.0
163.07532	44.8
167.07027	3.9
180.07710	3.0
195.10182	100.0
196.10574	1.0
207.10100	1.2
259.83365	0.6
299.06152	0.9
324.12991	0.8
366.62738	0.7
417.94809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05510	0.7
59.68497	0.2
60.72945	0.1
65.03929	0.2
67.05224	0.1
67.05506	1.6
69.03426	0.9
69.07064	1.0
70.74438	0.3
70.74751	0.2
71.04980	0.4
72.83930	0.1
77.32457	0.1
79.05477	0.7
81.03419	2.2
81.07062	2.7
83.04974	0.3
83.08616	0.5
85.02919	0.9
85.06539	0.4
89.68347	0.1
91.05419	1.1
93.07047	1.2
94.06561	0.2
95.04993	0.3
95.08050	0.2
95.08617	3.0
97.02885	0.5
97.06544	0.5
97.10188	0.2
99.04429	0.3
104.05010	0.9
105.07031	0.9
107.08598	0.4
109.02885	0.6
109.10158	0.4
117.07050	0.2
119.08587	1.1
121.10140	0.3
122.05998	0.4
123.08033	0.3
123.11731	0.2
127.03952	1.1
132.04456	5.1
133.10136	1.0
134.06027	0.4
135.11649	0.3
137.09560	0.2
137.13263	0.2
145.04924	0.2
151.07544	0.2
160.03943	0.4
161.13242	1.3
165.57936	0.2
167.05603	0.3
178.04999	100.0
179.05330	0.8
179.14317	1.0
195.25618	0.2
197.15424	0.3
199.44249	0.2
224.09172	0.3
240.08708	0.3
299.06146	0.4
305.17505	0.3
323.18344	0.3
340.10318	0.5
344.47028	0.2
500.34122	0.2
518.34814	0.3
536.24927	1.4
536.35498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78054	2.3
51.76222	2.7
53.03943	7.7
55.01872	5.1
55.05508	6.6
57.03438	3.2
57.07078	5.5
59.04992	2.3
65.03928	3.6
67.05502	16.2
69.03436	23.6
69.07063	9.2
71.04993	5.0
79.05495	31.5
81.03420	17.2
81.07061	26.2
81.76071	2.5
83.04978	5.2
83.08628	5.0
85.02905	10.5
85.06553	12.8
91.05484	27.2
93.07050	100.0
95.04966	8.4
95.08620	44.9
97.02893	9.7
97.06509	2.7
103.05457	5.0
105.07029	26.8
107.04966	5.8
107.08595	37.0
109.02896	7.0
109.06521	8.9
109.10167	15.9
111.08038	4.6
113.06031	3.3
117.06995	4.8
119.08588	24.5
120.08126	3.6
121.06532	9.3
121.10153	96.9
123.04430	3.2
123.08075	17.1
123.11697	10.6
125.09689	3.8
127.03896	8.3
131.08571	15.0
133.10136	7.8
135.08063	6.1
135.11676	14.4
137.02350	4.6
137.05977	11.1
137.09598	16.5
137.13290	3.5
139.11223	5.7
145.02921	3.0
145.10104	8.2
147.04404	4.2
147.08032	6.6
147.11703	9.9
149.09628	78.7
149.13249	5.8
150.10092	3.0
151.07564	6.1
153.01833	4.2
156.09332	2.6
159.08125	2.6
161.09607	4.0
161.13277	7.1
163.11188	17.1
165.09122	8.4
167.07054	8.1
167.10666	15.9
171.11754	3.0
177.05487	3.9
178.05054	4.1
179.05295	6.2
181.04977	2.7
187.11221	2.7
189.12744	14.1
191.14272	2.7
193.12164	2.5
195.13725	2.5
207.13806	33.2
217.08612	2.6
225.14845	5.0
233.83047	2.6
268.62134	2.4
293.13858	9.8
308.97559	3.4
311.14859	10.4
314.00781	2.4
319.26233	15.6
337.27341	13.8
423.93677	2.6
431.76816	3.5
466.87115	2.6
475.16760	2.6
535.20026	8.0
535.27838	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	535.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.05508	4.6
59.05014	4.0
65.03933	3.3
67.05514	18.2
69.03422	15.3
69.07063	4.7
70.70184	6.3
70.98614	2.3
71.04986	5.2
74.84171	2.5
79.05490	23.5
81.03422	10.7
81.07055	17.4
83.04984	4.4
85.02907	9.8
85.06551	10.4
91.05488	24.8
92.51216	2.8
93.07046	84.6
95.04944	4.2
95.08603	41.0
97.02901	8.4
97.06543	3.6
99.04443	4.8
103.05437	4.2
105.07026	20.6
107.08597	30.7
109.02855	6.2
109.06509	8.8
109.10167	12.0
113.06015	3.5
117.07020	2.7
119.08582	20.8
121.02840	4.1
121.06483	7.1
121.09309	5.2
121.10152	87.1
123.04401	2.7
123.08057	22.1
123.11704	6.1
125.05951	2.5
127.03904	4.4
131.04956	3.3
131.08553	12.9
133.06529	3.2
133.10118	6.4
135.04362	4.5
135.08017	3.5
135.11699	9.2
137.05986	17.8
137.09634	4.2
139.11185	3.0
145.10181	3.4
147.04413	12.5
147.07985	4.4
147.11714	7.5
149.09622	100.0
151.03839	3.5
151.07512	5.9
153.01813	6.4
161.05905	2.9
161.13252	9.1
163.03902	16.0
163.11232	3.5
165.12772	5.2
167.07098	4.0
167.10704	20.3
171.11731	4.5
174.10361	3.3
177.05489	5.9
182.75314	2.8
189.12721	17.5
207.13815	62.3
207.31041	2.5
235.50090	2.8
273.07584	2.7
283.09879	3.3
293.13892	4.3
311.14862	9.7
371.73346	2.8
535.19312	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	534.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86168	3.1
67.44972	3.2
69.03423	3.9
70.06602	3.9
79.05498	6.3
91.05456	4.8
94.17061	3.2
98.21341	3.0
105.07023	4.0
107.04950	6.8
109.02901	5.8
119.04975	7.3
121.06565	5.6
122.03664	5.3
123.27787	3.4
127.03942	6.9
127.08714	3.0
131.04871	4.1
137.05992	100.0
147.04411	13.6
149.06004	6.8
149.09561	3.2
153.01843	17.5
161.06030	7.1
167.07021	6.4
177.05443	4.9
179.07109	4.4
183.08043	3.7
213.09013	3.3
265.08591	5.3
271.09766	29.1
271.12387	5.0
285.11343	5.4
297.11243	7.7
315.12109	9.1
390.97281	4.0
408.98581	6.6
432.98987	3.7
534.24744	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	534.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86168	3.1
67.44972	3.2
69.03423	3.9
70.06602	3.9
79.05498	6.3
91.05456	4.8
94.17061	3.2
98.21341	3.0
105.07023	4.0
107.04950	6.8
109.02901	5.8
119.04975	7.3
121.06565	5.6
122.03664	5.3
123.27787	3.4
127.03942	6.9
127.08714	3.0
131.04871	4.1
137.05992	100.0
147.04411	13.6
149.06004	6.8
149.09561	3.2
153.01843	17.5
161.06030	7.1
167.07021	6.4
177.05443	4.9
179.07109	4.4
183.08043	3.7
213.09013	3.3
265.08591	5.3
271.09766	29.1
271.12387	5.0
285.11343	5.4
297.11243	7.7
315.12109	9.1
390.97281	4.0
408.98581	6.6
432.98987	3.7
534.24744	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	534.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.05511	1.7
57.07081	2.1
67.05522	2.0
69.03419	0.6
69.07064	2.1
69.64422	2.8
71.04994	1.2
71.08634	1.4
73.06547	0.9
73.78689	0.4
74.09719	100.0
79.05502	1.4
81.03424	1.9
81.07060	4.1
83.04983	1.0
83.08626	1.5
85.06551	0.7
85.10209	0.5
91.05490	1.3
93.07051	1.9
95.04991	0.7
95.08602	3.0
97.06510	0.5
97.10178	0.9
98.20963	1.3
105.07037	0.8
107.08623	0.9
109.06503	0.4
109.10185	1.6
119.08601	0.5
121.06522	0.4
121.10205	0.9
123.11733	1.0
130.87381	0.4
133.10202	0.5
139.07645	0.5
149.06015	1.3
149.13379	0.5
150.75307	0.4
151.07542	1.5
161.06047	0.7
161.09570	0.5
167.07042	20.7
177.09200	0.5
189.09132	1.0
193.12267	0.8
201.09070	0.6
203.10672	0.5
205.08675	0.6
207.10202	0.7
217.12247	0.5
359.25818	0.8
387.25601	1.7
425.30664	0.9
443.31573	6.8
461.32651	11.3
467.22357	0.5
534.28979	0.6
534.42218	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	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33546	0.6
53.03939	1.4
54.90094	0.6
55.05510	5.1
56.05035	3.4
56.35212	0.5
57.07071	3.2
60.04529	3.6
65.03947	0.6
67.04230	0.6
67.05169	0.8
67.05504	12.5
68.05016	1.9
69.06723	0.6
69.07065	8.0
70.06579	2.2
71.08615	1.3
79.05492	9.7
80.05003	2.7
81.05789	2.2
81.07055	10.2
82.06582	6.7
83.04949	0.6
83.08630	4.5
86.06052	1.0
91.05474	8.8
93.07046	8.0
94.06566	15.4
95.04966	1.3
95.07346	7.2
95.07882	0.7
95.08000	0.7
95.08598	8.3
96.08141	4.4
97.06512	0.7
97.10155	2.3
98.06051	1.2
98.20694	1.4
98.21410	2.6
105.07030	6.4
107.08586	3.9
108.08112	2.7
109.10152	3.4
111.11745	0.6
119.08606	4.4
121.08878	1.0
121.10163	6.2
122.09634	2.4
123.11648	0.9
124.11168	0.7
133.10127	3.1
135.11671	3.4
147.11658	1.8
149.13255	1.9
161.13220	0.7
191.17920	0.6
219.20947	0.7
233.22688	3.6
234.22144	0.7
245.22632	2.8
250.25311	10.1
254.24916	0.8
262.25308	100.0
263.23489	0.8
263.25845	0.8
272.25848	6.2
280.26334	10.5
504.47638	2.3
516.47754	7.9
534.48700	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	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48518	1.5
55.05513	3.2
56.05014	3.2
57.07068	1.8
57.96714	2.1
58.06602	2.3
65.08657	1.6
67.05506	6.1
69.07066	22.8
70.06599	23.4
70.69823	4.1
71.04983	4.0
72.08169	2.9
73.04046	4.9
79.05483	3.8
81.07048	3.1
83.04951	1.7
84.04507	48.6
84.05019	2.5
84.08146	39.2
85.02909	4.2
85.04032	9.6
85.08923	7.1
86.09711	90.0
91.05492	5.0
93.07024	3.9
93.90794	1.6
95.04980	7.7
95.08578	3.2
96.08131	18.7
97.06541	7.6
102.05545	14.1
108.08149	1.6
112.07605	22.6
112.11230	2.7
113.03474	2.9
113.10757	9.9
115.05396	2.2
119.04960	7.1
121.06515	2.5
123.04383	3.7
123.11718	1.7
124.07619	4.2
127.03852	1.8
130.04967	1.9
130.06529	1.6
131.04919	3.1
132.08089	3.0
136.07568	14.1
137.05992	1.9
138.09109	2.4
138.12779	10.6
141.10219	17.3
145.06575	2.2
147.04416	7.4
152.10744	2.4
152.14337	15.3
153.01848	5.4
153.06706	2.3
153.15117	5.0
154.15872	8.6
157.10132	2.3
159.06837	1.9
160.07576	15.7
161.05882	1.7
161.09639	4.9
163.03922	1.7
164.08047	1.8
165.05499	7.3
167.07033	2.4
169.17010	1.7
170.11713	1.7
171.04419	3.3
173.09628	3.7
174.12759	2.5
177.05553	2.6
177.09106	4.5
180.13863	6.5
182.08124	8.0
185.09651	8.0
189.05467	5.5
189.09123	46.7
190.12358	3.2
197.16483	22.5
201.09149	2.2
202.12268	100.0
206.08101	4.8
208.13338	4.7
212.10745	9.2
213.09085	14.8
215.14014	4.9
219.10176	1.8
219.14929	5.0
220.13254	2.2
225.16011	11.1
230.11787	13.2
231.10181	44.9
231.12502	2.7
243.13445	14.5
243.17070	3.7
247.10881	4.8
248.12845	66.4
265.15488	59.9
266.16055	2.0
268.13348	24.6
293.11407	14.7
295.14581	4.9
311.12363	6.3
313.15491	23.6
323.13849	10.3
333.21933	2.4
341.15045	5.4
354.20340	7.7
359.16000	95.4
376.18719	23.0
377.17334	6.0
378.23886	18.8
394.19763	21.4
406.23419	5.0
489.27151	38.1
489.33896	1.5
490.25421	10.0
507.28082	18.2
507.35168	2.3
517.26581	4.7
535.19647	3.4
535.27631	75.4
557.47778	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	533.2387
Annotation	Rzedowskin A
Peak:m/z	Relative Intensity
50.95373	0.4
51.74417	0.4
53.03954	0.6
55.01851	0.6
57.03422	0.4
65.03925	0.9
65.81216	0.4
67.05501	1.6
69.03416	1.6
69.07053	0.7
69.49403	2.3
69.49825	1.2
71.04992	0.5
79.05487	0.7
81.03426	2.8
81.07049	1.2
83.05001	0.6
84.95126	0.4
85.02906	1.5
85.06529	0.9
91.04953	0.8
91.05478	8.8
93.07027	1.2
95.04982	0.6
95.08627	2.1
97.02888	1.2
98.20748	0.9
98.21352	1.0
105.07037	2.0
107.04955	0.7
107.08591	1.7
109.02894	1.3
109.06521	1.0
109.10159	0.6
119.04952	19.5
119.08586	1.2
121.06543	0.6
121.10159	1.1
123.04465	0.6
123.08089	1.1
123.11704	0.7
133.10175	0.9
135.08101	0.7
135.11665	0.5
136.01933	0.4
137.05946	0.6
145.10126	0.5
147.04414	100.0
148.04739	1.4
149.06047	0.5
149.07475	1.1
149.09642	3.9
151.07579	0.8
153.01872	1.3
156.09377	0.5
157.06560	0.5
161.09581	1.0
161.13226	0.8
163.03859	0.6
165.05482	4.7
167.07112	1.1
169.76906	0.5
178.04996	0.5
179.10580	0.6
181.06502	1.0
189.09302	0.5
189.12782	1.6
195.06650	0.7
207.13803	5.2
227.07047	0.5
255.06538	5.6
261.12689	1.7
291.08636	3.8
309.09723	4.7
326.10269	0.5
330.56357	0.5
438.81369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.1
59.05000	1.1
67.05495	2.0
69.03446	1.3
69.07053	1.8
69.64841	1.4
69.65251	1.6
70.02967	2.6
72.04153	0.6
72.04520	7.5
72.07569	0.6
73.02918	1.6
79.01858	1.5
81.03423	3.1
83.04978	0.6
85.02906	0.6
85.06555	3.0
86.09703	1.0
87.08127	1.3
90.05560	50.2
94.02422	0.5
95.04952	3.1
95.21037	0.5
96.08138	1.1
97.02901	1.5
98.02419	7.1
98.20770	1.3
98.21436	1.1
100.03948	0.8
103.07597	3.2
107.01303	0.6
109.02889	2.3
112.55692	0.5
113.06018	1.9
116.03471	7.9
122.25757	0.5
124.07606	8.9
125.02377	0.8
125.37963	0.5
127.03909	1.9
142.08633	4.8
143.03436	2.1
145.02818	1.8
153.01843	31.6
153.02916	1.5
160.09691	1.2
165.99985	0.5
166.08601	1.6
171.02924	3.3
171.04343	0.5
174.11269	1.3
177.05470	1.9
178.05811	1.0
184.09702	11.4
202.10764	19.5
204.49754	0.5
220.11812	100.0
221.12303	0.6
231.28314	0.5
297.06079	1.7
315.06982	1.8
328.13834	1.3
514.73560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62676	1.0
55.05512	1.6
56.67837	0.9
57.03421	0.9
61.04991	0.9
65.03963	1.5
66.63390	0.8
67.05501	2.5
69.03430	3.7
69.07078	2.1
69.94724	2.6
71.04999	1.3
72.19749	0.9
79.05497	2.0
81.03421	5.1
81.07065	2.4
83.08610	0.9
85.02908	4.7
85.06552	1.6
91.05482	10.0
93.07051	4.0
95.04952	1.9
95.08627	5.1
97.02898	2.9
97.06546	1.0
98.20958	1.6
103.05438	1.0
105.07043	4.4
107.08589	3.0
109.02890	3.5
109.06531	1.0
109.10200	2.3
119.04952	20.6
119.08591	2.9
121.06533	1.1
121.10161	2.4
123.08044	2.9
127.03907	1.8
131.08614	1.6
133.10130	3.2
135.04491	1.1
135.08128	1.1
135.11694	0.9
137.05992	3.4
137.09732	1.2
145.10120	1.9
147.04420	100.0
147.11687	2.3
149.09605	2.7
151.07535	1.8
153.01839	8.6
157.10152	1.1
159.08055	1.1
161.05992	1.3
161.09683	1.6
163.03903	3.7
163.11244	1.2
163.14905	0.9
165.05438	5.3
165.08965	1.0
165.12793	1.4
167.07034	2.2
171.02844	1.0
175.07578	1.3
183.02989	1.4
189.12703	1.5
191.14351	1.1
207.13853	4.5
209.15239	1.5
235.13280	0.9
240.37770	1.0
291.08746	4.2
295.81705	0.9
309.09619	4.7
351.12158	1.1
375.20145	1.0
468.42603	1.0
533.19574	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	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	17.6
57.03429	4.9
57.07064	6.2
61.02917	6.1
61.12496	3.0
67.05173	6.1
67.05505	81.8
69.07070	17.3
69.41425	16.4
69.41834	7.6
71.04991	3.6
72.34099	3.1
72.38353	3.0
79.05495	55.7
81.07061	94.8
83.08623	7.6
85.02892	5.5
85.06545	5.1
91.03951	3.3
91.05477	24.8
93.07043	69.4
95.04967	5.2
95.08611	69.1
97.06533	5.0
97.10162	6.4
97.80764	2.7
98.21004	13.4
104.85018	3.7
105.07054	18.7
107.08609	39.3
109.10159	44.7
117.07012	8.9
118.63866	3.3
119.08597	19.5
121.10139	38.9
123.11728	22.7
131.08571	22.2
133.10103	14.7
135.11711	32.7
137.13199	8.0
145.10143	16.4
147.11671	13.9
149.13257	22.5
159.11685	12.4
161.13263	13.7
163.14795	12.8
173.13216	14.7
175.14891	5.1
177.16411	5.5
187.14830	10.1
201.16515	4.3
233.22746	4.9
243.21132	33.7
261.22141	100.0
279.23349	5.0
310.88647	3.3
322.08490	3.2
335.25873	27.7
353.26868	29.0
364.00241	3.3
443.47455	3.1
463.95914	2.9
477.05228	3.2
480.41473	3.6
497.31900	3.1
531.29181	3.3
532.37091	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	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.05510	26.1
57.03426	6.9
57.07072	4.3
66.25474	3.3
67.05179	6.9
67.05506	100.0
68.05842	4.8
69.03408	3.1
69.07074	22.3
71.04971	4.8
71.57270	4.4
73.02909	3.2
79.05491	60.3
81.03396	3.9
81.07056	87.2
83.04983	3.5
83.08603	8.7
85.02895	5.8
85.06509	3.6
90.75349	3.2
91.05477	38.2
92.05798	3.2
93.06472	4.2
93.07041	68.0
94.07364	5.0
95.04966	3.4
95.08614	60.7
96.08936	5.3
97.06525	7.8
97.10177	9.0
99.08116	3.3
105.07033	27.1
106.07372	6.1
107.08601	45.4
109.06474	5.9
109.10163	33.4
111.08075	3.5
117.07021	16.6
118.07470	3.6
119.08588	34.2
120.08904	5.2
121.10140	35.9
123.11719	16.0
129.06992	7.4
131.08572	33.3
132.08908	3.7
133.10118	24.1
134.10449	4.7
135.11717	30.2
136.12015	5.5
137.13257	7.7
143.08473	7.5
145.10120	26.2
146.10486	4.1
147.11653	20.1
148.12073	3.8
149.13286	21.7
155.08488	4.2
157.10185	8.2
159.11705	28.0
160.12022	5.5
161.13277	17.9
163.14812	11.5
171.11667	10.9
172.11998	5.7
173.13234	15.5
174.13507	3.5
175.14909	4.9
177.16347	6.0
183.11536	3.7
184.11931	3.5
185.13261	5.2
186.13596	3.9
187.14764	9.4
188.15060	5.0
198.13522	4.2
199.14749	3.1
201.16304	4.3
210.13612	3.4
233.22643	3.6
241.19560	4.0
243.21115	28.2
259.20596	9.6
260.20834	8.8
261.22156	76.6
291.19653	4.1
315.18829	3.1
335.25784	12.4
353.26874	16.4
409.31039	3.5
422.31271	6.6
440.32333	6.3
458.33533	4.6
504.37396	9.5
514.36139	40.6
532.37372	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Rubianol b
Peak:m/z	Relative Intensity
55.05516	16.7
55.26923	4.9
56.58041	6.3
57.07052	5.1
67.05503	43.7
69.07066	21.9
69.46980	44.5
79.05481	29.0
81.07058	68.7
83.04981	19.6
83.08627	13.6
91.05479	43.4
93.07044	76.8
95.04952	4.8
95.08604	83.2
97.06540	10.9
97.10179	7.6
98.21353	17.2
99.08138	6.4
105.07045	55.6
107.04959	6.5
107.08595	100.0
109.06503	7.8
109.10155	48.8
111.08059	10.7
117.07015	20.0
119.08581	92.1
121.10145	59.0
123.11708	15.3
125.09645	20.1
129.06923	7.8
131.08565	27.4
133.01357	5.2
133.10129	69.0
135.11702	23.3
143.08582	12.4
144.09372	6.4
145.10126	58.1
147.11674	25.0
149.13252	8.7
151.11264	7.9
157.10152	12.1
159.11723	58.6
161.13252	26.9
163.07390	6.5
163.11151	5.2
163.14810	12.2
171.11711	11.1
173.13303	26.3
175.14798	25.9
177.16397	16.4
185.13327	8.4
187.14807	38.3
189.16408	58.3
191.14345	11.1
191.17976	15.0
193.15936	7.7
197.13181	6.8
199.14825	16.2
201.16388	83.4
203.16310	6.3
203.17982	21.2
203.94533	6.2
205.15968	7.3
213.16377	47.5
215.17966	35.3
217.15802	5.7
217.19508	8.1
219.17509	52.6
227.17905	5.7
229.19426	7.5
231.17494	7.7
235.16878	26.6
241.19511	11.3
243.21382	7.9
247.17014	22.1
255.21219	7.2
261.18466	10.3
267.21024	7.9
389.32169	12.8
407.33099	72.2
409.34732	11.8
435.32507	24.7
453.33661	59.1
513.35498	5.3
531.36511	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	531.368
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.03939	4.1
55.01866	5.1
55.05259	2.8
55.05513	35.8
55.29741	1.5
57.03225	1.5
57.03437	16.8
57.07072	8.3
64.65117	1.6
65.03934	5.7
67.05507	92.1
69.03439	1.7
69.07069	31.8
71.04996	8.5
71.57154	3.3
75.57804	1.7
79.05492	62.3
81.03416	3.4
81.07057	74.9
83.04974	10.2
83.08617	15.0
85.06546	8.4
86.57739	1.7
87.60510	1.6
91.05482	58.8
93.07047	79.1
95.04942	8.6
95.08610	46.2
97.06531	8.0
97.10175	15.2
99.08092	3.2
103.05435	2.1
105.04526	2.3
105.07034	64.9
107.04977	1.9
107.08594	47.7
109.06535	4.8
109.10154	24.6
111.08065	3.2
115.05429	3.7
117.07037	25.5
119.08584	54.7
121.06484	2.9
121.10155	30.3
123.08076	4.4
123.11713	4.2
125.09617	7.7
128.06200	2.6
129.07010	21.4
131.08560	50.3
131.09511	3.5
133.10135	49.1
135.08032	3.2
135.11694	37.0
141.06973	5.5
142.07771	4.4
143.08580	31.0
144.09335	2.3
145.10123	52.0
147.08012	2.9
147.11694	35.5
149.13258	8.0
151.11227	4.7
155.08549	13.8
156.09407	3.1
157.10132	36.5
159.11702	42.6
159.13002	2.5
161.09671	4.1
161.13261	26.8
163.11151	5.1
163.14781	3.1
165.12711	1.8
167.08559	5.1
168.00159	1.6
169.10112	19.1
170.10849	2.6
171.11685	28.7
173.09694	1.7
173.11913	1.4
173.13274	30.6
175.11209	3.5
175.14839	10.9
177.12825	1.9
181.10120	8.7
181.12227	4.7
183.11670	14.2
184.94818	1.5
185.09666	1.9
185.13254	21.0
187.11179	2.8
187.14789	14.9
189.12805	3.0
189.16518	2.1
195.11653	7.0
197.13264	13.5
199.13168	3.3
199.14799	16.0
199.27776	1.8
201.12628	1.8
201.16376	4.2
209.13199	7.9
211.14816	5.7
213.16434	4.9
215.18002	2.7
217.04364	1.6
220.09282	2.2
221.13344	1.6
223.14830	4.2
225.12630	1.8
225.16382	4.7
226.66699	2.0
227.18053	2.8
231.21083	3.7
235.14873	4.6
237.16318	2.0
239.17834	2.9
241.19524	20.8
251.18002	2.1
253.14412	7.6
253.19363	2.1
255.15866	27.7
259.20572	46.2
261.22269	4.0
269.19061	3.3
271.20615	2.6
277.21722	2.5
283.20712	2.2
285.22177	4.6
297.22202	5.1
299.20319	2.2
299.23709	6.5
301.21628	3.5
309.22232	2.8
311.23572	2.5
313.21899	2.7
315.23135	5.5
317.25214	2.0
321.21945	2.1
323.23297	2.8
325.21515	1.9
325.25244	3.1
327.23087	4.9
329.24857	3.6
333.24219	16.3
335.24017	2.2
337.25269	2.1
341.24670	1.8
391.29581	2.4
393.31525	4.7
403.29813	7.2
409.31018	7.7
411.32574	11.6
421.30991	28.1
427.32135	2.2
429.33823	2.6
439.32053	19.3
447.34906	2.7
449.34052	1.7
457.33136	22.2
483.34409	2.9
485.36365	9.2
495.34888	9.4
501.35556	7.0
503.37250	39.2
513.35773	100.0
514.35773	2.2
531.36877	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01876	3.6
55.05512	21.6
57.03444	17.6
65.03931	2.0
67.05503	30.9
69.03426	6.3
69.07069	10.2
70.17924	6.5
71.04992	5.9
79.05496	30.8
81.03420	74.9
81.07059	34.8
83.04983	20.4
83.08619	26.3
85.02911	28.3
85.06560	1.8
91.05486	45.1
93.07041	23.0
95.04368	2.3
95.04968	37.0
95.08605	14.2
97.02908	4.3
97.06533	5.8
97.10166	4.0
97.78095	1.5
99.08062	2.5
103.29121	1.4
105.07032	30.0
107.04929	10.2
107.08606	11.4
109.06532	5.7
109.10148	2.5
111.04430	3.4
111.08085	11.6
113.06022	2.9
115.05460	2.5
117.07043	2.3
119.04953	1.6
119.08578	26.2
121.06517	2.2
121.10132	9.7
123.08078	3.4
123.11727	3.0
125.09617	1.7
127.07558	1.4
129.07001	12.8
131.08553	14.7
133.06499	2.6
133.10150	15.2
135.08044	1.8
142.07776	4.3
145.10077	2.0
147.08002	3.3
147.11676	18.5
149.09636	6.6
157.10135	22.3
165.12782	4.2
175.11198	19.0
193.12251	74.0
211.13306	100.0
267.15909	28.6
285.16971	87.5
285.20175	3.5
362.88846	1.8
385.23505	2.6
459.27420	9.2
477.28568	9.9
495.29532	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	530.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68661	2.6
69.03427	2.7
69.46381	20.6
72.67090	2.6
73.75691	2.3
79.05514	4.7
89.81293	2.9
91.05483	10.5
93.00817	2.6
93.03416	2.9
93.06999	3.9
95.04977	3.2
98.20608	2.6
98.21191	11.1
103.05474	5.9
105.07027	8.8
107.04945	16.8
107.08577	4.0
109.06614	2.4
119.04956	4.6
121.06493	8.5
123.04422	2.6
129.06993	7.5
131.04901	8.3
132.05746	3.8
133.10152	24.5
135.08012	5.4
137.05969	4.8
137.09608	13.6
146.07277	3.4
149.05948	8.1
151.07559	3.2
160.00682	2.6
161.05995	73.9
161.09627	22.2
163.07587	15.7
163.14711	2.6
165.05473	5.2
167.07050	28.1
174.06795	6.9
175.07571	7.0
177.05449	7.2
180.07813	3.6
181.08624	20.6
189.09123	53.7
191.06981	14.0
191.14352	14.7
192.07771	6.4
207.10178	100.0
209.08122	19.0
209.15382	5.6
285.11328	3.0
317.13766	6.2
329.13937	2.6
343.15308	9.0
361.16541	28.3
373.16565	3.6
407.11740	2.8
425.12570	10.7
457.17944	3.0
471.16245	3.4
530.25592	4.6
557.16504	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	528.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.3
55.05521	17.6
56.27721	3.0
57.07074	35.8
57.75145	3.3
62.21380	3.5
62.47752	3.0
67.05509	26.7
69.03424	4.9
69.07076	24.8
71.08630	7.6
72.23077	3.3
79.05510	20.2
81.03416	4.1
81.07054	36.9
83.04981	12.4
83.08619	17.6
85.06562	22.6
89.06015	15.5
91.05463	19.0
93.07040	26.5
95.04983	4.9
95.08603	31.4
97.06551	8.8
97.10180	7.2
98.21110	23.1
105.07050	25.5
107.04970	4.8
107.08600	26.7
109.06538	12.2
109.10170	25.9
111.08084	3.9
117.07023	9.1
119.08573	16.1
121.06458	5.9
121.10143	20.3
123.11712	12.5
125.05989	27.2
131.08588	17.1
133.08615	8.9
133.10153	21.7
135.08038	7.6
135.11674	13.4
137.13249	7.4
142.07790	3.7
143.08598	7.3
145.10126	15.1
147.08035	4.2
147.11674	10.0
149.09634	12.2
149.13290	10.5
151.07582	5.2
151.11101	6.3
153.05469	13.3
157.10115	10.7
159.11716	8.9
161.09593	7.1
163.07581	12.7
163.11174	13.4
165.09166	5.5
171.11745	7.1
173.09483	4.3
173.13264	8.0
175.07533	4.0
175.11174	12.5
177.09129	53.6
178.09872	5.6
179.10715	7.5
183.11729	4.4
189.09026	3.3
191.10701	10.4
197.13295	4.1
199.11002	3.8
199.14729	4.9
201.16206	3.5
203.10677	4.7
207.10095	4.1
209.11743	7.5
217.12321	4.0
220.92383	3.4
245.15434	3.9
277.22687	3.5
303.23138	11.6
329.24640	4.8
333.24142	9.0
345.24149	4.2
347.25781	39.2
357.24271	6.7
373.23810	11.1
375.25345	24.2
386.28064	7.6
391.24789	15.3
403.31955	5.9
413.30313	9.7
421.33118	8.7
429.29810	10.9
431.31662	100.0
449.32489	6.9
475.30676	9.9
493.31381	12.5
528.37903	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03952	5.1
55.01863	2.3
55.05267	0.7
55.05508	17.1
57.03437	4.0
57.07091	3.2
65.03949	3.6
66.24788	0.7
67.05505	67.8
69.03436	1.4
69.07068	21.9
69.65112	1.5
69.65531	3.2
71.04992	3.9
71.05314	0.7
79.05493	57.4
81.03407	2.8
81.07056	73.0
83.04996	5.0
83.08617	10.6
85.06522	4.1
88.08772	0.7
91.04887	1.1
91.05482	33.2
93.07042	70.1
94.26018	0.6
95.04966	9.5
95.08607	35.6
97.06525	8.8
97.10165	2.7
98.20893	2.0
98.21477	0.9
99.08090	2.3
105.04513	1.7
105.07027	19.8
107.04938	0.9
107.08596	37.1
109.06516	2.5
109.10159	9.7
111.08069	5.1
111.11717	1.0
113.06036	0.9
113.09659	1.5
115.05450	1.1
117.07012	11.1
119.08585	13.7
121.06511	0.9
121.10146	28.4
123.08065	1.8
123.11690	2.9
125.09620	0.9
129.07010	2.3
130.07735	0.8
131.08563	17.0
133.10130	11.9
135.08089	1.3
135.11694	14.9
139.11159	1.2
143.08569	3.3
144.09352	1.0
145.10130	10.2
147.11687	6.3
149.09567	0.7
149.13257	30.4
153.12683	0.7
155.08545	1.3
157.10133	3.4
159.11703	16.2
161.13232	4.5
163.11101	1.1
163.14790	1.4
165.12823	1.0
169.10141	1.1
171.11717	2.6
173.13301	4.4
173.33780	0.7
175.14853	3.1
177.12708	4.2
183.11720	2.1
185.13312	1.7
187.14865	2.2
195.13777	7.5
197.13188	0.7
199.14839	1.6
201.16351	2.1
209.13399	0.8
213.14803	1.1
225.16681	0.8
243.21056	1.6
249.65053	0.7
259.20612	1.1
261.22073	5.0
269.03638	0.8
283.20450	0.7
317.24841	2.0
419.32953	1.0
437.34329	5.2
455.35269	1.9
473.36099	0.8
511.37735	2.9
520.24744	0.7
529.38873	100.0
530.39142	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15995	0.9
53.03943	3.9
55.01863	2.0
55.05514	17.4
57.03440	4.4
57.07065	3.4
59.05001	0.9
65.03929	2.8
67.05505	57.2
69.03423	1.0
69.07069	19.4
71.01369	0.9
71.04993	3.0
71.08633	0.9
71.57069	1.2
75.89390	0.8
77.03903	0.9
79.05495	43.5
81.03416	2.2
81.07058	63.0
83.04980	3.1
83.08617	7.8
85.06545	3.6
87.04479	1.6
88.07643	1.2
91.04893	1.0
91.05479	29.2
93.07046	51.7
95.04960	7.0
95.08609	28.8
97.06532	6.5
97.10170	3.8
98.39425	0.9
99.08119	1.6
102.09154	1.1
103.05470	1.5
105.04537	2.4
105.06377	1.5
105.07034	21.4
107.08591	30.6
107.09290	1.7
109.06541	2.3
109.10155	11.0
111.08067	4.3
115.05462	1.3
117.07000	10.3
117.97735	0.9
119.08579	15.5
121.10148	22.5
123.08076	1.4
123.11734	2.5
125.05920	0.8
125.09646	1.1
125.41563	0.8
128.06168	1.1
129.06996	3.8
131.08560	19.8
133.09193	1.6
133.10132	12.1
135.11693	12.9
137.09625	1.0
137.13260	1.8
138.10844	0.9
139.11121	0.9
142.07826	1.1
143.08594	4.6
145.10115	13.6
147.11699	7.4
149.13260	20.3
155.08557	1.8
157.10130	6.4
159.11687	14.2
161.13290	3.8
163.11195	0.8
169.10147	2.7
171.11719	5.2
173.13292	5.9
175.14886	1.9
177.12772	3.1
181.10165	1.2
183.11722	2.3
185.13272	4.1
187.14894	4.0
195.11813	1.5
195.13850	5.2
197.13286	1.7
197.45761	1.0
199.14871	1.9
201.12851	0.9
201.16469	1.6
209.13335	1.5
211.14891	1.2
225.16394	0.9
243.21129	1.1
256.26373	8.8
259.20245	0.9
259.24426	1.1
261.22104	5.0
299.23575	1.2
317.24850	1.5
419.33105	2.2
437.34229	8.2
455.35291	3.1
473.36185	2.0
511.38016	2.1
529.38916	100.0
530.38885	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	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01882	13.8
55.05514	31.6
57.03443	24.8
57.07089	3.1
59.04985	4.6
60.36876	3.4
65.94864	3.4
67.05510	38.9
69.03436	4.6
69.07072	15.3
71.04991	6.3
77.15394	3.5
79.05495	37.5
81.03423	80.4
81.07061	44.4
83.01347	11.3
83.05000	31.2
83.08619	37.1
85.02895	22.0
91.05493	48.9
93.07048	42.8
95.04976	32.4
95.08599	19.8
97.02901	7.3
97.06546	7.7
97.10184	7.7
98.20741	9.7
98.21450	12.7
103.03896	4.0
105.07032	37.5
107.04961	14.4
107.08617	21.8
109.06527	14.7
109.10159	9.7
111.04443	7.1
111.08087	13.8
115.05509	4.8
117.07021	11.1
119.08575	29.2
121.06472	8.7
121.10133	16.0
123.08086	6.5
129.07024	14.6
131.08574	12.4
133.06505	4.8
133.10136	12.6
135.11723	12.1
137.09644	4.4
145.10117	15.7
147.08066	8.2
147.11681	12.1
149.09630	7.9
154.79329	3.3
157.10120	15.8
163.11217	29.9
165.12794	3.7
173.65398	3.5
175.11179	19.0
191.10614	5.5
193.12248	60.5
194.25650	4.0
209.11726	11.1
211.13318	100.0
211.15268	6.3
227.12839	7.7
267.15906	20.0
283.15411	99.7
285.16986	71.4
363.16977	4.2
457.25607	4.0
475.26807	15.3
482.13040	3.5
493.27979	77.6
519.52917	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	528.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.2
57.07082	36.5
57.26453	5.4
58.25852	5.0
67.05496	23.8
68.32589	5.8
69.07069	28.4
69.47867	44.7
71.04977	12.4
79.05475	16.5
81.07063	40.9
83.04987	13.7
83.08600	14.5
85.06538	24.1
87.88130	5.6
91.05476	15.0
93.07040	31.8
95.08603	41.3
97.06525	13.5
97.10162	6.0
98.20859	17.3
105.07043	21.2
105.93888	5.5
107.08584	24.6
109.06551	7.0
109.10171	33.7
117.06981	9.7
119.08570	22.6
121.10143	23.4
123.11714	19.8
125.05984	26.5
131.08542	8.8
133.10130	17.9
135.11664	14.4
137.09625	6.4
137.13293	6.6
145.10126	12.5
147.08080	8.2
147.11684	11.3
149.09621	14.8
149.13261	9.9
151.11128	7.1
153.05460	13.7
159.11710	14.7
161.09645	13.4
161.13232	5.8
163.07484	9.2
163.11163	11.7
175.11198	11.6
177.09113	55.1
178.09895	9.2
191.10695	10.0
203.10692	7.0
231.13797	8.0
245.15480	8.0
293.21088	5.4
302.22101	5.3
303.23050	9.1
315.23639	5.3
329.24612	8.7
331.22437	6.4
333.24219	7.0
345.23969	6.4
347.25906	29.0
347.29446	6.6
357.24176	9.6
365.30743	9.4
375.25275	33.4
386.28030	8.2
391.24698	25.0
429.30090	10.3
431.31631	100.0
449.32672	10.8
475.30658	15.7
487.17725	6.2
493.31790	15.9
528.37506	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	528.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05511	9.9
57.03439	5.8
57.07074	13.8
59.04992	2.5
61.02926	5.8
67.05491	1.3
69.03430	11.4
69.07069	57.1
69.70322	5.6
71.01354	1.6
71.04994	6.0
71.08629	9.8
73.02919	25.6
73.06561	9.3
75.89409	0.9
79.05496	1.4
81.03423	2.4
81.07047	2.1
83.08611	1.9
85.02905	23.7
85.03423	1.3
85.10201	4.1
87.04473	1.7
89.06033	30.9
90.92689	0.8
91.03951	1.6
91.05464	1.0
93.07059	1.5
95.08639	1.2
97.02897	20.7
98.20847	1.9
98.21455	1.9
98.59929	0.9
99.04460	1.6
99.11703	1.2
101.38975	0.9
103.03967	1.1
105.07043	1.0
107.08602	1.2
109.02888	2.4
109.10169	1.3
111.11722	88.1
112.12107	1.1
112.37541	0.9
115.03933	10.1
118.85215	0.9
127.03922	7.4
129.12758	100.0
133.04961	9.2
145.04976	7.9
163.06024	2.3
163.11021	1.0
172.81549	0.9
189.04620	0.8
199.16954	22.2
217.18007	25.0
223.05881	1.4
251.79295	1.0
259.08075	2.0
322.29364	0.9
341.20612	0.9
529.33484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05503	5.7
57.03440	6.1
57.07079	13.0
59.04987	3.5
59.48374	1.1
61.02931	3.4
61.31522	1.1
67.05510	4.1
67.55421	1.1
69.03437	12.8
69.07073	59.1
69.45337	1.8
69.45747	8.3
71.01376	1.3
71.05003	4.9
71.08634	8.0
73.02921	20.8
73.06561	10.2
81.03439	2.9
81.07079	2.3
82.86134	1.1
83.04961	1.5
83.08624	2.3
85.02910	22.2
85.10181	4.2
87.04482	1.4
89.06040	29.6
91.05503	2.5
93.07032	1.8
97.02893	13.8
98.20780	1.3
98.21320	3.1
105.07065	2.3
107.08624	1.9
109.02919	2.5
109.06509	1.2
111.11728	84.4
115.03947	7.4
127.03926	6.4
129.12762	100.0
130.13092	1.5
133.04987	6.6
145.05016	6.4
163.06105	1.5
199.16949	21.2
217.18021	24.4
375.16827	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
55.05519	14.1
55.49176	1.3
57.03428	3.0
57.07058	4.0
59.87507	1.2
60.54542	1.3
65.03949	1.8
67.05181	1.4
67.05513	26.6
69.07076	11.5
71.04989	3.7
71.56849	2.1
71.57205	1.6
75.33993	1.4
79.05493	19.7
81.03412	3.8
81.07059	28.6
83.04975	3.8
83.08646	6.5
85.06519	1.8
91.05483	22.2
93.07048	18.8
95.04968	3.2
95.08614	18.0
97.06545	1.9
97.10152	3.3
105.07031	21.1
107.08614	12.0
109.10159	8.8
111.08067	1.7
117.07024	14.0
119.08570	14.3
121.10162	7.1
123.08030	1.4
123.11771	2.4
128.06197	4.1
129.07011	13.0
131.08562	19.9
133.10127	15.5
135.11685	5.7
139.11148	2.0
141.07019	4.4
142.07764	2.5
143.08580	17.4
144.09236	1.5
145.10129	13.5
147.11659	6.4
149.13266	2.2
151.11172	2.5
155.08589	8.5
156.09323	2.7
157.10152	16.8
159.11693	9.4
161.09561	2.5
161.13214	1.7
165.07011	1.8
167.08569	2.5
169.08810	2.2
169.10103	11.3
171.11702	15.4
173.13251	10.2
175.14876	1.6
179.08551	1.6
181.10130	5.4
182.10846	1.5
183.11725	11.3
185.13261	9.7
187.14783	2.6
195.11700	5.2
197.13274	9.3
199.14819	5.9
207.11682	1.5
209.13225	5.9
211.14842	5.3
213.16331	3.1
222.84419	1.7
223.14819	3.8
235.14755	2.5
237.16458	1.9
257.18860	1.3
257.26712	1.9
259.20517	1.7
269.18893	1.9
297.22363	1.8
309.22275	1.7
309.25583	1.7
323.23627	2.1
359.22449	1.8
380.98151	1.4
407.33075	1.4
407.96988	1.3
417.31470	6.3
435.32520	18.7
439.42706	1.5
453.33743	9.3
471.34497	4.2
473.34442	1.8
491.35043	2.6
509.36328	10.9
527.37238	100.0
528.37506	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01854	1.7
55.05511	12.6
57.03428	3.3
57.07072	2.0
58.50499	0.8
64.47165	0.8
65.03934	1.2
66.95437	0.8
67.05506	31.9
67.05869	1.6
69.03436	1.6
69.07070	12.5
69.72471	5.9
71.04992	2.9
79.05495	21.2
81.03434	5.8
81.06020	0.9
81.07059	26.7
83.04992	2.5
83.08614	7.8
85.02887	1.0
85.06564	1.9
86.55879	0.9
91.05492	23.4
91.06042	0.9
93.07051	23.4
95.04977	4.3
95.08609	16.7
97.06538	4.2
97.10181	3.4
98.21474	1.5
99.08095	1.1
101.74974	0.8
105.07030	20.6
107.04966	1.1
107.08591	12.2
107.09196	1.2
109.06566	1.1
109.10160	12.0
111.08088	1.3
115.05449	1.7
117.07034	11.5
119.08588	17.5
121.10143	9.1
123.08110	2.4
123.11679	1.6
124.44804	0.9
125.09634	1.7
128.06241	2.5
129.07008	11.5
130.07851	2.0
131.08577	18.0
133.10162	8.8
135.08080	1.5
135.11700	3.9
137.09639	1.1
139.11171	1.1
141.06990	4.0
142.07803	4.0
143.08556	12.9
145.10136	17.7
147.08055	1.2
147.11682	7.1
149.09631	1.5
149.13246	2.9
153.06996	1.4
155.08562	9.9
156.09329	1.1
157.10132	13.8
159.11710	13.2
161.09616	1.2
161.13249	3.8
163.11122	1.1
165.07005	1.2
167.03305	0.9
167.08585	3.0
168.09424	1.1
169.10109	10.4
170.10683	0.8
171.11681	12.1
173.11876	1.9
173.13324	7.2
175.11197	1.3
175.14862	2.1
177.12801	1.7
179.08546	1.3
181.10139	5.2
183.11717	9.9
185.09639	1.6
185.13246	10.1
187.14815	3.2
189.11308	1.4
193.10304	1.4
193.12268	1.4
195.11769	6.5
195.13551	1.4
197.13303	7.5
199.11238	1.4
199.14841	5.4
201.16446	1.7
203.85049	1.0
207.11795	2.1
209.13286	3.7
211.14900	4.2
213.12856	1.1
213.16481	2.4
221.13222	1.6
223.14915	2.6
225.16414	1.9
227.03577	1.0
235.14807	1.3
237.16495	1.3
239.17906	1.5
241.19717	1.4
249.16515	1.1
251.18150	1.1
259.20618	1.8
275.19962	1.6
283.20670	1.4
285.18457	1.1
297.22171	2.0
299.15024	0.9
309.22025	1.1
311.23907	1.2
315.23328	1.5
323.20111	0.9
323.23700	1.1
325.21826	1.3
325.25351	1.2
327.23361	1.3
337.25183	1.4
341.24863	1.0
349.25443	0.9
353.24466	1.2
414.33481	1.0
417.31647	4.8
435.32565	16.2
453.33701	8.8
458.58722	1.0
471.34686	3.9
491.34927	2.2
509.36423	8.7
527.37347	100.0
528.37451	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01859	1.6
55.05257	1.1
55.05508	13.6
57.03427	3.6
57.07065	1.8
59.31554	1.0
65.03929	1.8
67.05172	1.8
67.05502	26.1
67.57993	0.8
69.03407	1.0
69.07064	11.8
71.04990	1.5
71.57944	2.0
73.11560	0.8
79.05054	1.8
79.05487	21.2
81.03416	9.2
81.07052	25.0
83.04958	2.1
83.08614	5.4
85.06546	1.0
91.05476	21.5
93.07049	20.3
95.04971	4.8
95.08605	17.9
97.06508	2.9
97.10172	5.2
98.21383	1.0
99.08119	0.9
103.05434	1.1
105.07027	16.4
107.04935	1.6
107.08585	13.9
108.08971	0.9
109.10157	9.9
111.08054	2.0
115.05472	1.8
117.07005	11.2
119.08582	13.3
121.10149	8.3
123.11693	1.7
125.09586	1.4
128.06239	3.8
129.06996	11.6
130.07762	0.8
131.08574	18.5
133.10136	8.6
135.11691	4.8
137.09576	1.0
137.13210	0.9
141.06963	4.7
142.07768	3.9
143.08553	15.9
145.10126	15.3
145.11157	1.7
147.11711	5.2
149.09633	1.3
149.13246	1.8
153.07065	1.3
154.07838	1.0
155.08562	9.5
157.10124	15.2
159.08028	1.1
159.11705	11.6
161.13254	1.9
163.14812	1.1
167.08563	3.8
168.09349	1.4
169.10124	9.5
171.11687	12.2
173.13232	8.0
175.11183	1.3
175.14848	1.4
179.08507	1.3
181.10124	5.3
183.11679	7.8
185.13239	10.1
187.14836	2.4
193.10310	2.2
193.12291	2.9
195.11710	4.1
197.13242	6.8
199.11270	1.1
199.14900	5.9
201.12839	1.0
201.16391	1.2
207.11635	2.0
209.13266	4.8
211.14821	3.6
213.16418	2.6
221.13283	1.6
223.14827	2.5
225.16400	1.9
231.17636	1.0
235.14810	1.5
237.16280	2.2
239.06140	0.9
239.17888	1.8
257.19110	1.5
259.20544	1.7
265.19446	1.4
283.20593	1.2
297.22107	2.2
311.23599	1.7
313.21613	1.5
323.23819	2.2
325.25314	1.6
327.23315	1.3
337.25183	1.2
355.26529	1.1
374.64484	1.0
417.31601	4.9
435.32526	16.4
453.33362	5.8
468.65881	1.1
471.34808	2.3
472.35608	1.2
473.34201	1.9
491.35132	2.5
509.36343	7.5
527.37305	100.0
528.37671	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	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
52.66238	0.8
53.03939	2.6
55.01866	3.0
55.05513	15.1
57.03430	3.2
57.07072	1.9
65.03938	2.0
67.05505	31.2
69.03432	1.2
69.07066	10.0
69.82724	2.1
69.83114	1.7
71.04987	1.8
79.05052	1.8
79.05492	23.2
79.05958	1.4
81.03419	9.3
81.07058	26.6
83.04984	1.9
83.08631	7.4
85.06560	1.6
91.05482	19.1
93.07050	23.1
95.04983	4.9
95.08610	18.5
97.06553	3.9
97.10181	4.3
98.20677	0.8
98.21221	2.4
99.08101	1.0
103.05475	0.8
105.07033	19.2
107.08593	11.3
109.06496	1.7
109.10155	7.9
111.08107	2.4
115.05483	1.7
117.07011	9.4
119.08585	15.4
121.10139	8.6
123.08073	1.4
123.11723	0.9
125.09653	2.5
128.06230	2.3
129.07013	10.5
131.08571	18.5
133.06494	1.0
133.10135	10.3
135.11673	3.8
137.09566	1.0
141.06976	3.0
142.07764	2.0
143.08551	11.9
145.10126	16.8
147.11702	6.3
149.09627	1.4
149.13275	3.7
155.08565	6.9
157.10133	13.6
159.11710	13.4
161.13271	3.4
163.11194	1.4
167.08549	2.8
169.10094	8.8
171.11650	9.4
171.91328	0.8
173.11862	1.6
173.13260	7.6
175.11285	1.3
175.14825	1.2
177.05490	1.1
181.10109	3.9
183.11693	8.0
185.13214	7.7
187.14830	3.1
193.12143	1.9
194.98979	0.8
195.11725	4.4
195.13376	0.7
197.13263	6.8
199.14851	6.1
203.14198	0.9
205.10146	0.9
207.11790	1.4
209.13329	3.3
211.14922	2.9
213.16411	2.0
221.13306	1.0
223.14865	3.2
225.16444	1.7
227.17989	1.0
235.14928	0.9
237.16408	1.7
239.17943	1.7
241.19608	1.1
259.20663	2.1
283.20303	1.0
297.22217	1.9
313.21674	1.0
315.23318	2.4
325.25305	1.2
327.23190	1.0
329.24649	1.3
337.25085	1.7
381.77356	0.8
383.24213	0.9
417.31201	3.8
435.32605	12.8
453.33566	9.7
471.34689	4.4
473.34415	1.6
491.35205	1.4
509.36353	6.4
527.37335	100.0
528.37531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3003
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
50.14055	3.2
53.03947	7.7
55.05507	24.9
56.76934	3.2
57.03434	33.7
57.07063	6.2
63.05986	2.8
64.39511	2.8
67.05502	66.7
67.73000	3.2
69.03417	4.5
69.07062	26.4
69.62811	18.8
74.69501	2.9
77.03925	3.6
79.05500	46.6
81.03422	4.8
81.07056	77.4
83.04967	10.2
83.08623	12.9
83.74080	3.2
85.06517	3.5
85.10176	5.0
89.06013	10.3
91.05484	61.4
93.07043	70.5
95.04968	13.1
95.08609	53.7
97.06529	6.9
97.10171	7.6
98.21255	9.7
105.07028	76.1
107.04903	4.0
107.08597	63.1
109.06514	8.9
109.10159	28.8
111.08076	4.7
113.06025	6.4
117.07009	24.0
119.08586	52.0
120.63013	3.1
121.06499	5.0
121.10148	32.6
123.04459	9.6
123.08071	12.8
123.11707	14.7
125.02320	3.6
125.05988	4.3
125.09634	100.0
129.07018	12.7
130.07794	3.6
131.08575	39.9
133.08618	7.1
133.10114	40.9
135.08061	7.7
135.11687	14.8
137.06018	6.9
137.09657	17.1
139.11201	8.2
141.05472	63.7
142.07806	3.6
143.08572	18.1
145.10101	36.9
147.08073	5.6
147.11710	24.2
149.09613	8.9
149.13292	7.8
151.07512	7.2
151.11186	4.0
153.05458	36.2
156.09322	3.9
157.10135	22.7
159.11691	31.6
161.09633	8.3
161.13280	16.4
163.11198	17.6
165.12785	5.3
167.03400	93.1
167.07013	3.9
169.10112	7.1
171.11711	18.6
173.11890	3.0
173.13254	14.8
175.11253	3.6
175.14859	6.1
177.05598	3.5
177.11205	3.6
179.07045	10.4
183.11748	12.9
185.13293	12.5
187.11176	3.5
187.14801	6.6
189.12680	5.0
195.06465	5.9
197.08044	4.5
197.13280	6.8
199.14871	7.3
203.14316	3.3
209.13162	4.0
213.16408	4.5
217.15939	3.9
219.17464	5.9
235.16898	5.8
239.17917	7.9
242.17624	3.3
257.18991	32.6
269.22653	8.2
275.20065	7.6
277.19592	4.0
283.20496	5.1
287.23740	35.1
297.22211	5.1
313.21619	7.1
323.23730	4.5
325.25159	5.8
341.24731	22.3
343.26297	51.1
351.23074	6.0
359.25818	26.0
369.24200	14.1
387.25272	33.8
397.23734	14.6
427.28268	7.5
527.37073	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	527.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55863	3.8
53.03929	4.7
55.01854	9.7
55.05515	29.6
56.38218	3.7
57.03443	23.6
57.07074	19.5
65.03930	7.9
67.05508	63.6
69.03425	4.4
69.07078	20.9
71.08626	11.8
71.34407	5.9
79.05500	55.1
81.03409	7.0
81.07056	85.0
83.04965	5.7
83.08625	9.2
85.10174	9.0
89.06042	23.2
90.06363	3.8
91.04898	4.6
91.05482	83.0
93.07057	71.3
95.04955	20.1
95.08606	48.7
97.06526	5.1
97.10152	7.0
103.05424	4.8
105.06385	6.4
105.07035	100.0
107.08591	40.5
109.06546	10.4
109.10156	28.1
111.08070	13.5
112.38463	3.4
113.05985	5.9
117.07029	28.5
119.08584	69.4
121.06515	6.3
121.10158	31.5
123.04479	5.2
123.08076	45.4
123.11608	7.4
128.06206	5.0
129.07001	13.4
130.07756	7.3
131.08574	49.1
133.08598	12.5
133.10135	50.2
135.08063	15.3
135.11662	20.4
137.05966	4.2
137.09595	9.4
141.05441	23.3
141.07095	5.2
143.08591	22.2
143.09529	4.4
145.10126	53.5
147.08038	4.5
147.11664	33.6
149.09589	18.2
149.13281	6.8
151.07587	4.3
153.05466	31.5
155.07100	6.1
155.08411	6.1
156.09335	4.8
157.10172	22.1
159.08055	6.2
159.11708	34.1
161.09589	10.0
161.13220	12.3
163.11121	7.7
167.03410	81.3
169.10167	6.2
171.11732	19.2
173.13257	21.2
175.11195	21.8
176.01407	3.9
176.11920	4.3
177.11263	7.8
177.12764	11.1
179.06978	4.8
183.11676	6.7
185.13292	10.9
187.11238	4.7
187.14848	12.1
189.12810	21.3
197.13258	5.7
199.14864	6.0
203.14328	4.6
213.16370	4.1
219.17455	7.9
226.67947	3.6
229.19472	4.6
239.17935	7.7
257.18948	21.3
269.22662	7.8
275.20001	34.7
287.23804	21.3
313.21664	8.6
325.25266	11.9
341.24731	13.1
343.26364	78.8
359.25729	34.6
369.24152	17.5
387.25302	32.2
397.23746	11.1
465.29797	5.0
492.46149	4.6
499.07849	3.8
510.40820	5.7
527.36816	16.7
551.72760	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	527.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64496	1.2
53.03928	1.6
53.89409	1.1
55.01880	1.1
55.05506	2.9
57.07070	1.4
60.22426	1.4
62.39644	1.2
62.54073	1.1
69.03420	3.8
69.07052	5.9
70.03590	3.4
70.04005	2.4
71.29092	1.4
79.01850	2.1
79.05487	1.9
81.03413	6.7
81.07037	5.6
83.08601	2.6
85.02888	5.8
93.07037	4.7
95.08604	7.7
97.02859	1.6
99.08079	4.4
105.07059	2.0
107.01321	1.9
107.08613	7.6
109.02864	5.0
109.10160	1.9
111.08064	2.5
121.10156	11.2
122.63654	1.2
123.11729	1.6
125.02375	3.6
125.09681	1.8
127.03920	6.7
135.11693	3.3
143.03410	5.8
145.04898	1.4
153.01839	100.0
153.02882	3.5
154.02266	1.9
163.68451	1.3
171.02882	10.5
176.87738	1.3
177.16399	21.8
195.17462	9.0
213.14949	2.7
213.18506	6.8
245.79654	1.5
262.79459	1.4
281.72989	1.7
293.80414	1.3
297.06021	5.8
315.07117	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	527.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
57.03428	0.5
57.07082	0.8
65.03949	0.4
67.05504	2.5
69.03419	1.6
69.07053	1.7
71.04998	0.8
71.37733	0.8
71.38070	0.5
79.05508	2.5
81.03403	1.6
81.07059	6.1
83.04970	3.5
83.08620	1.1
85.02901	1.9
85.06548	1.7
87.35841	0.4
91.05486	2.4
93.07058	3.3
95.04980	1.4
95.08605	3.2
97.02891	1.3
97.06518	0.8
99.04443	1.3
102.21256	0.4
103.05486	0.8
105.07035	3.0
107.04958	1.0
107.08569	2.8
109.02877	2.0
109.06512	1.3
109.10140	2.4
111.04424	0.6
111.08086	0.9
113.02387	1.0
113.03494	0.5
117.07058	1.0
119.08596	2.6
121.06499	1.2
121.10121	2.1
123.04485	0.5
123.08066	1.5
123.11713	1.5
125.05970	1.0
125.09650	1.0
127.03922	1.8
127.11172	0.5
128.06245	0.5
131.08556	1.2
133.06537	0.7
133.10127	3.0
135.08022	0.9
135.11676	2.1
137.05946	1.7
137.09619	0.7
137.13232	0.5
139.03883	0.8
139.07579	0.7
139.11186	0.8
145.10126	1.7
147.04422	0.9
147.11649	1.0
149.05975	1.0
149.09578	1.5
149.13338	0.7
151.03964	0.7
151.07550	0.8
151.11209	1.1
153.01817	4.2
153.09082	0.5
157.10110	1.0
159.11699	1.4
161.05872	0.6
161.09668	0.6
161.13274	0.8
163.07445	0.6
163.11198	1.1
165.09091	0.6
167.07037	1.4
167.10732	0.6
171.11798	0.7
173.09656	0.6
173.13252	0.8
175.11214	0.6
177.05467	1.7
179.03372	0.7
179.06976	0.4
183.06517	0.5
187.11148	0.4
189.09119	0.5
189.12730	0.9
191.10565	1.0
205.12283	0.6
207.10095	0.4
215.10742	0.7
301.59000	0.4
305.02917	2.8
319.04553	0.8
333.02435	4.1
334.87488	0.5
335.09412	0.5
347.22260	0.5
365.17645	0.5
395.20462	10.4
396.21173	0.5
491.29697	0.7
527.11755	4.3
527.24622	100.0
528.25226	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85424	1.2
53.03942	1.9
55.01881	1.0
55.05500	3.0
67.05508	3.9
69.03430	4.0
69.07059	3.9
70.49834	2.9
71.05016	1.1
79.05487	3.6
81.03423	2.9
81.07058	8.0
83.04980	3.7
83.08616	1.3
85.02927	2.9
85.06543	3.0
91.05476	4.6
93.07051	7.4
95.04973	2.5
95.08626	5.3
97.02891	3.7
97.06528	2.1
98.21292	2.2
99.04464	1.5
99.08115	1.4
104.37360	1.1
105.07040	5.5
107.04977	1.5
107.08599	7.6
109.02916	4.9
109.06534	2.6
109.10172	4.4
111.04494	1.3
113.02354	2.5
119.08555	5.8
121.06516	5.2
121.10150	3.5
123.08099	1.8
123.11747	2.6
125.05978	1.6
125.09639	1.7
127.03958	4.9
127.07559	1.2
131.08598	2.3
133.06485	1.6
133.10133	4.5
135.08070	5.9
135.11722	2.3
137.05968	2.9
139.07532	1.3
143.08566	1.4
145.10143	3.2
147.11665	3.5
149.02486	1.1
149.09628	2.2
149.13211	1.8
151.07555	1.4
151.11194	1.6
153.01837	4.7
157.10173	1.2
159.08122	1.3
159.11711	3.5
161.09651	1.6
163.07585	3.4
163.11192	2.3
165.09137	1.9
167.07108	2.3
168.09407	1.5
173.09653	2.8
173.13292	2.8
175.11278	1.2
177.09174	1.0
181.12213	1.1
183.11615	1.1
184.16385	1.0
186.10458	2.2
187.07649	1.5
187.11151	7.8
191.07098	1.2
191.10733	1.4
193.12321	1.3
199.11053	1.3
201.12791	4.2
205.12248	2.3
219.13881	2.4
229.12231	8.0
235.13339	1.7
247.13341	15.1
274.96445	1.0
329.24689	1.0
395.20325	10.8
527.24652	100.0
528.25043	2.4
547.37170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2124
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
50.48063	0.5
51.02359	0.8
52.58543	0.7
53.03933	1.9
54.26955	0.6
55.01864	1.8
55.05504	1.9
57.03420	0.6
57.07063	0.8
61.02910	0.7
67.05511	3.5
69.03432	4.4
69.07069	2.0
71.04975	1.5
71.24979	1.4
76.10680	0.5
79.01863	5.1
79.05499	5.4
81.03424	5.9
81.07056	6.1
83.04984	3.1
83.08644	1.3
85.02910	5.9
85.06541	2.2
91.05483	4.9
93.07043	9.3
95.04999	1.9
95.08622	6.6
97.02882	3.7
97.06544	1.6
97.10210	0.6
98.21004	0.7
99.04471	1.7
99.08090	1.0
105.07043	4.4
107.01315	1.6
107.04950	1.4
107.08582	4.0
109.02884	5.5
109.06525	1.2
109.10155	2.1
111.04429	1.1
111.08123	0.9
113.09658	0.6
115.05402	0.8
117.07008	1.8
119.08585	2.9
121.02848	0.5
121.06517	2.6
121.10129	1.6
123.04397	0.9
123.08047	2.2
123.11702	1.6
125.02354	3.0
125.09659	0.7
127.03912	8.5
129.07039	0.9
131.08548	2.0
133.06502	1.9
133.10162	3.5
135.08046	1.4
135.11694	6.6
137.02228	0.6
137.05965	1.9
137.09602	1.1
139.07539	1.5
141.09088	0.7
143.03397	5.7
143.08557	1.4
145.04993	0.6
145.06438	0.9
145.10147	1.4
147.04391	1.2
147.08104	0.6
147.11644	1.2
149.05978	0.9
149.09648	2.0
149.13277	1.8
153.01833	100.0
153.02855	4.5
153.09019	0.8
157.10141	1.2
159.11740	2.8
161.13225	0.7
163.07550	1.0
163.11237	1.0
165.12686	0.7
167.07021	0.9
171.02881	8.4
171.11723	0.7
173.09619	0.7
175.11189	1.3
177.09123	0.7
177.12776	3.9
178.04955	1.0
182.64032	0.6
189.09081	1.0
189.12730	2.1
191.07137	0.7
191.14436	0.9
193.12201	2.2
195.13757	3.2
203.10674	0.7
205.12332	1.3
207.13882	3.6
217.12256	0.9
223.13324	0.9
235.13309	1.0
251.20465	0.6
258.83884	0.6
261.14581	0.6
263.35196	0.6
285.14951	0.7
297.06012	2.6
303.15872	0.7
315.07111	10.2
321.17093	0.6
333.02310	1.3
333.07956	0.7
339.18164	2.8
346.03012	0.6
376.69559	0.6
473.29230	0.7
491.18814	1.0
493.90353	0.6
527.24908	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05499	2.1
65.03923	0.8
67.05488	1.7
69.03423	3.8
69.07056	1.1
71.57872	0.8
76.59724	0.6
79.05495	2.2
81.03410	3.7
81.07046	2.9
83.04983	3.9
85.02900	2.0
91.05474	2.4
93.03357	0.7
93.07051	1.9
93.12087	0.6
95.04970	1.2
95.08595	1.2
97.02880	1.4
99.04439	1.2
105.07030	2.9
107.04932	0.6
107.08601	4.7
109.02895	2.0
109.06509	1.7
109.10128	1.3
111.04436	2.0
111.84201	0.6
113.03487	0.8
115.31531	0.6
119.08590	1.4
121.02859	2.7
121.06545	1.0
121.10137	4.1
122.07317	0.8
123.08104	0.8
123.11703	0.7
127.03912	4.2
127.04768	0.6
133.06470	0.9
133.10135	17.7
135.08052	2.0
135.11673	1.0
137.05946	1.9
137.09615	11.2
139.03922	2.8
147.11714	0.7
149.09641	0.8
149.13228	3.0
151.11203	1.7
153.01866	1.1
157.04907	1.2
163.14742	0.6
165.09312	0.8
165.12759	6.6
167.07086	1.0
173.13219	1.4
177.09180	0.7
187.06000	0.8
191.14287	9.3
209.15359	18.0
229.11960	1.0
260.58444	0.7
275.07376	1.4
313.34940	0.6
319.10413	1.0
335.09445	0.7
395.20410	3.2
445.42923	0.7
527.24628	100.0
528.24982	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01852	1.8
55.05513	17.7
57.03431	1.8
57.07077	49.9
59.04984	1.6
59.06121	3.0
59.32720	1.6
63.60006	1.7
63.67868	1.9
65.03946	2.1
67.05507	83.4
67.96355	1.6
69.07066	21.3
71.04994	70.3
71.08637	33.8
71.48547	2.2
79.05491	22.8
81.03408	2.7
81.07054	40.6
83.04984	12.7
83.08626	19.2
84.62568	1.7
85.06528	3.6
85.10184	19.1
89.06035	4.0
91.05479	24.0
93.07049	28.4
95.04973	6.5
95.08041	3.5
95.08611	42.6
97.06563	6.4
97.10178	9.4
99.08051	2.4
103.66724	1.7
105.07042	3.5
107.08607	12.3
109.10157	71.0
111.08115	2.9
111.11691	2.1
114.76503	1.6
117.07038	4.8
119.08595	19.3
121.10176	5.2
123.11716	7.4
133.08659	2.5
135.11681	18.5
137.09616	29.4
137.13272	2.4
145.10143	6.1
147.11728	1.9
155.10736	7.4
163.11241	4.8
167.07048	5.2
169.12207	10.8
173.11731	3.2
181.12292	5.2
211.13249	1.8
239.23691	11.5
245.11742	3.4
255.16023	2.8
269.17551	5.1
271.15475	5.5
311.75089	1.7
327.20239	2.3
339.28967	2.8
341.26953	4.6
481.38873	38.5
493.39417	2.4
525.41498	100.0
526.41870	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00259	0.6
51.02372	1.0
53.03941	1.7
55.01867	1.8
55.05499	1.9
55.30677	0.6
56.89414	0.7
57.03437	1.3
61.02937	0.7
67.05499	4.0
69.03429	5.2
69.07054	2.2
69.74818	2.5
71.04984	1.3
79.01859	4.4
79.05499	7.3
79.39807	0.6
81.03425	4.7
81.07066	9.2
82.07379	0.6
83.04982	2.2
85.02905	5.3
85.06541	1.7
88.24960	0.6
91.05485	5.1
91.52932	0.6
93.07050	9.8
95.01276	0.6
95.04973	3.0
95.08614	6.2
97.02904	3.7
97.06560	1.0
98.21194	2.3
99.04442	1.2
99.05102	0.6
99.08082	2.3
99.34894	0.6
100.11241	1.0
104.13825	0.7
105.07050	3.8
107.01302	1.6
107.04966	2.3
107.08578	4.6
109.02888	5.9
109.06508	1.1
109.10179	0.9
111.04417	1.5
111.08060	1.1
117.07031	2.2
119.04923	1.2
119.08588	2.0
121.06483	2.5
121.10130	1.8
123.04422	1.3
125.02367	3.7
125.06031	0.9
127.03920	7.2
129.07024	1.4
131.08557	2.2
133.06464	0.9
133.10136	3.8
135.08044	1.1
135.11679	8.2
137.05972	2.9
139.07542	0.7
143.03415	5.8
143.08565	1.8
145.04921	0.8
145.06493	0.7
145.10109	1.9
147.11682	2.6
148.67513	0.7
149.05888	1.0
149.13268	2.5
153.01837	100.0
155.08507	0.8
159.08080	1.1
159.11671	2.4
163.07660	1.2
163.11122	0.8
165.09155	0.7
167.07066	2.1
171.02887	7.2
173.09744	0.7
173.13152	0.8
175.11177	1.6
177.12746	3.1
178.04955	1.0
179.05383	0.7
179.06987	1.1
182.15463	0.9
187.11302	0.8
189.09021	1.2
191.10767	0.8
193.12248	2.7
195.13748	3.2
205.12312	2.1
207.06537	1.5
207.13861	0.9
213.14903	1.4
217.12302	1.0
223.13348	1.1
229.12315	0.7
235.13242	1.0
243.13940	1.1
261.14819	0.9
267.13745	0.9
285.14859	1.7
297.06143	2.8
303.15881	3.1
315.07083	9.6
321.16971	2.6
339.18066	2.4
398.72104	0.7
491.19168	3.1
509.19748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.05503	16.2
55.17658	3.1
56.96552	6.5
57.03435	5.4
57.07080	14.7
67.05502	42.3
69.03434	14.6
69.07070	39.4
69.83417	4.3
69.83824	12.4
71.04999	4.1
79.01835	3.5
79.05499	18.8
81.03409	5.6
81.07063	100.0
83.04975	5.9
83.08611	15.7
85.02892	8.9
85.06548	98.4
91.05483	13.9
93.07045	33.2
95.04964	3.7
95.08609	85.5
97.02883	6.7
97.06548	6.3
97.10168	9.0
98.21143	9.1
99.08081	17.1
105.07027	15.6
107.08588	42.8
109.02881	6.8
109.06509	6.7
109.10162	79.2
111.08077	9.1
111.11688	5.9
112.28767	2.5
113.09637	4.0
117.07025	4.2
119.08580	20.5
121.06609	2.9
121.10139	26.7
123.08096	3.0
123.11713	44.2
125.09642	15.5
127.03902	11.5
127.11221	5.0
131.08571	2.9
133.10120	10.9
135.08034	3.1
135.11707	41.2
137.05919	9.0
137.09608	8.7
137.13239	22.9
143.03371	4.8
147.11674	6.0
149.13277	28.8
151.11212	4.6
151.14818	9.7
153.01836	79.2
153.02882	2.7
153.12743	9.4
159.11746	3.3
161.13199	4.1
163.14772	12.5
167.07077	3.2
167.14276	6.4
171.02849	9.3
172.94379	4.5
175.14835	15.7
177.16356	6.9
178.05042	4.4
190.95287	4.6
191.17966	4.3
193.15956	17.0
205.19582	6.5
211.16924	29.6
217.19624	4.3
227.20018	9.1
251.09595	6.9
273.25735	6.6
279.26825	17.8
287.88443	3.3
291.26831	36.3
297.06006	4.9
297.27866	8.9
309.27887	40.1
315.07059	6.5
327.29037	22.9
331.05341	4.9
345.30020	7.1
367.56799	2.8
422.53058	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	525.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01867	2.5
55.05512	16.8
57.03445	3.3
57.07067	2.2
65.03942	2.1
67.05508	30.8
69.07077	11.9
71.04982	1.9
79.05495	18.4
81.03419	1.6
81.07062	24.0
83.04974	2.3
83.08632	5.7
85.06535	2.4
91.05484	19.2
93.07055	14.5
95.04982	3.5
95.08619	14.4
97.06523	2.6
97.10168	2.6
98.21243	5.4
105.07035	13.9
107.05000	1.6
107.08593	6.2
109.06532	1.9
109.10170	6.5
111.08089	1.9
115.05452	1.6
117.07013	11.6
119.08574	11.9
121.10163	4.5
123.08088	2.3
123.11751	1.7
125.09637	2.1
128.06255	4.2
129.07027	16.0
130.07744	1.3
131.08565	14.0
133.10126	9.1
135.08084	1.2
135.11674	2.4
137.09618	1.8
141.06995	9.2
142.07820	5.2
143.08566	18.4
145.10147	11.8
147.08041	1.3
147.11699	4.7
153.07014	3.1
154.07785	3.5
155.08572	19.7
156.09354	1.4
157.10138	17.8
159.08066	1.2
159.11714	8.7
161.13231	1.1
165.07040	2.9
167.08588	10.0
168.09375	3.7
169.10136	22.8
171.11711	11.1
173.09645	1.4
173.11906	1.5
173.13229	5.3
178.07704	1.5
179.08569	3.2
180.09375	2.2
181.10144	13.2
182.10925	2.7
183.11705	20.0
185.09650	1.3
185.13261	9.1
191.08669	1.2
193.10132	5.1
194.10930	1.4
195.11720	12.8
197.13280	14.2
199.14886	5.0
205.10190	1.3
206.11032	1.0
207.11678	6.0
209.13271	11.7
211.14838	7.4
213.16467	2.2
219.11777	2.6
221.13257	5.3
223.14813	7.1
225.16373	3.1
227.14421	1.5
233.13232	2.2
235.14871	4.0
237.16422	3.0
241.15973	1.2
249.16391	2.0
251.17955	1.2
259.20627	1.4
261.16394	2.2
263.17981	1.9
270.75043	1.1
277.19403	1.3
281.19144	1.6
295.20697	2.0
297.22083	2.0
298.17697	1.1
307.20688	2.4
309.22226	2.1
311.20261	1.2
313.21671	2.4
319.20529	1.2
321.22211	4.0
323.23697	1.6
325.21658	2.9
335.23828	3.5
339.23096	2.7
349.25494	1.4
351.23163	2.3
353.24896	1.5
363.23407	1.4
373.25504	1.3
377.24664	1.2
415.29987	8.6
423.32684	1.4
433.31079	29.5
451.32150	13.9
459.32999	1.2
469.33429	5.1
471.32678	2.6
489.33777	4.1
507.34711	12.8
525.35779	100.0
526.35925	3.5
532.97687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01871	1.5
55.05517	5.6
57.03442	2.4
57.07069	2.1
65.03949	1.4
65.99641	0.9
67.05512	9.6
69.03430	6.6
69.07072	9.6
69.23441	11.1
71.04986	2.7
73.02934	1.3
74.00500	1.0
79.01852	3.7
79.05490	5.2
81.03428	6.0
81.07064	28.0
82.07358	1.2
83.04982	1.8
83.08612	4.3
85.02903	5.5
85.06550	12.3
88.37138	0.9
91.05484	4.8
92.37335	1.0
93.07061	10.7
95.04951	3.8
95.08613	21.4
97.02897	6.1
97.06537	3.0
97.10173	1.6
98.21107	5.4
99.04475	3.0
99.08079	3.7
105.07039	6.7
107.01330	2.0
107.08600	12.0
109.02894	5.4
109.06509	2.1
109.10163	16.2
111.04424	1.2
111.08090	3.2
111.11722	2.5
113.03466	1.4
119.08580	3.3
121.02916	4.7
121.03652	1.1
121.06522	1.8
121.10148	6.8
123.04431	1.0
123.08088	1.8
123.11710	10.5
125.02351	2.3
125.09625	3.6
127.03942	7.9
127.11156	1.2
131.08618	1.2
133.10132	3.1
135.08031	1.5
135.11694	8.8
136.12054	2.0
137.02345	1.8
137.05971	3.5
137.13289	4.3
137.84259	1.0
139.03928	2.3
139.07578	1.4
139.11169	4.0
141.56010	1.1
143.03419	6.1
143.08650	1.1
145.05037	1.4
145.10057	2.0
147.04344	1.2
147.11681	2.3
149.13263	6.8
151.03903	1.1
151.11137	1.0
151.14842	1.5
153.01843	100.0
153.12737	1.9
154.02179	2.6
155.02330	1.6
161.06015	1.8
161.09657	1.6
163.07639	1.0
163.11275	1.3
163.14836	4.1
165.05463	1.2
165.09166	2.0
165.16393	1.5
167.03459	2.3
167.07059	3.2
167.14305	2.2
171.02895	11.1
175.14827	4.0
177.12798	1.9
177.16399	2.7
181.05014	1.6
191.17952	1.2
193.08763	1.1
193.15877	3.5
195.13844	2.4
196.14223	2.3
209.15573	1.2
211.16905	2.6
217.19539	1.9
243.05881	1.0
273.25793	4.3
279.26749	4.9
280.60040	1.1
291.26828	11.5
297.06064	5.5
297.27902	1.2
309.27911	12.0
315.07098	12.7
327.28854	5.0
345.30362	1.4
468.87564	1.1
525.20233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.4
55.05506	7.6
57.03439	13.0
57.07075	3.5
61.02919	5.8
67.05505	10.1
68.83520	2.0
69.03432	24.0
69.07072	17.7
69.47809	2.0
70.82296	5.6
71.01351	2.6
71.04998	5.1
71.21802	2.2
71.27866	2.2
72.51084	2.2
73.02927	24.0
75.67315	2.0
79.05502	11.3
81.03416	7.2
81.07068	25.5
83.04981	2.4
83.08622	4.3
85.02903	52.3
85.06562	5.2
87.04469	5.5
91.05526	5.5
93.07059	16.0
94.07388	2.3
95.04965	4.0
95.08611	41.9
95.50284	2.2
96.08958	2.2
97.02901	38.5
97.06531	2.5
97.10188	3.0
98.21113	3.3
99.08102	40.2
105.07043	10.0
107.08601	32.7
109.02909	6.1
109.06528	2.5
109.10168	18.1
110.10471	2.8
111.08085	20.5
111.11709	3.0
115.03924	13.6
117.07019	2.1
119.08598	4.4
121.10141	34.4
122.10471	2.7
123.11720	12.2
124.05136	2.5
125.09702	3.6
127.03904	17.5
133.04959	23.7
133.10123	6.6
135.11719	6.8
137.05969	2.6
137.13287	8.1
145.04965	19.3
145.10088	3.2
147.11682	2.8
149.13261	6.0
151.07541	2.6
153.01761	5.7
159.11678	3.4
161.09659	3.0
161.13289	2.5
163.06038	6.6
163.14928	2.5
167.07076	3.2
175.14862	5.2
175.96657	2.6
177.16391	100.0
179.05531	3.5
179.17934	2.8
189.07576	2.4
189.16530	3.7
195.10315	2.3
195.17448	40.7
199.05992	2.3
201.16266	2.8
215.79306	2.6
223.05984	4.3
241.07088	3.2
259.08075	5.7
273.18268	2.8
291.19363	3.1
295.10321	3.9
303.19485	2.5
308.26492	3.3
309.20621	3.8
321.20682	3.4
327.21909	2.9
339.21756	2.4
357.22821	9.2
400.20602	2.4
414.88455	2.4
525.23016	10.8
532.65540	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03938	1.6
53.69604	0.5
55.05521	4.7
57.07074	1.2
58.40070	0.7
59.05001	0.8
67.05507	6.8
69.03424	5.1
69.07065	6.0
70.69707	1.4
70.70055	0.8
71.04980	2.2
71.23539	0.6
79.01855	3.6
79.05486	1.4
81.03419	5.9
81.07053	10.3
83.04974	5.7
83.08619	3.9
85.02906	3.6
85.06543	1.9
91.05481	1.2
93.07038	4.8
95.05005	0.9
95.08046	1.1
95.08612	16.4
97.02905	5.6
97.10177	1.0
97.57358	0.8
99.04467	1.0
99.08102	1.8
100.60605	0.7
105.07027	3.5
107.01286	1.2
107.08602	10.6
109.02875	4.7
109.06526	4.2
109.10160	51.2
111.08095	1.5
113.09622	0.9
119.08582	16.2
121.10161	4.9
123.08080	5.2
123.11713	5.5
125.02354	3.9
125.09616	0.9
127.03937	8.1
133.10124	10.5
135.11697	42.1
137.09613	8.2
139.11198	1.1
143.03387	6.7
145.04958	1.2
147.11708	0.8
149.13271	4.0
151.11218	4.7
151.14795	5.0
153.01834	100.0
153.02808	4.0
153.12735	0.9
153.63463	0.6
165.16417	1.6
171.02882	13.5
171.04240	1.1
175.14833	19.8
183.56024	0.7
190.79745	0.7
191.14325	0.7
193.15884	25.7
211.16931	40.6
231.24265	0.7
279.04901	0.7
291.26581	0.8
297.06076	6.6
315.07086	9.1
315.99323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2356
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.02377	0.5
53.03938	1.1
55.01887	0.4
55.05507	3.7
56.14325	0.3
57.03428	0.9
57.07080	1.5
58.90802	0.4
59.05001	0.6
65.03954	0.5
67.05503	9.2
69.03428	5.4
69.07068	5.7
70.68871	0.7
71.04996	2.1
79.01852	3.3
79.05489	1.8
81.03419	6.1
81.07056	10.8
83.04980	4.0
83.08636	3.3
85.02906	3.8
85.06546	2.4
91.05480	1.5
93.07048	5.2
93.60238	0.4
95.04954	0.4
95.08609	16.5
97.02899	5.8
97.06538	0.6
97.10180	1.1
98.21153	0.6
99.04456	1.3
99.08121	2.0
105.07030	3.6
107.01308	2.1
107.08597	11.8
109.02885	4.9
109.06517	4.3
109.10157	47.2
110.10500	0.6
111.08083	1.6
113.09679	0.7
119.08581	19.7
121.10148	6.8
123.08073	5.6
123.11703	5.5
125.02345	3.8
125.09615	1.0
126.21965	0.4
127.03917	6.8
133.10136	10.8
135.11693	50.6
136.12076	0.7
137.06010	0.4
137.09615	6.6
139.11192	1.5
143.03398	6.1
145.04973	0.6
147.11644	0.5
149.13254	3.5
151.11209	3.7
151.14828	5.0
153.01830	100.0
153.12773	1.0
154.02109	0.5
165.16447	1.4
171.01804	0.3
171.02890	12.4
175.14824	21.4
176.15138	0.4
193.15881	31.4
211.16937	26.9
222.73376	0.4
275.37006	0.4
279.05316	0.6
291.26892	1.0
297.06070	6.3
309.27798	0.5
315.07117	9.3
327.28998	0.4
461.41156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
54.57029	1.2
54.59515	1.2
55.01859	2.3
55.05503	2.9
57.03413	1.5
59.44386	1.2
67.05496	2.0
69.03456	7.3
69.03750	1.2
69.07046	4.1
70.25912	4.9
71.04987	1.7
73.02932	7.3
79.05486	3.0
81.03413	1.8
81.07045	6.5
82.07375	1.4
83.04965	1.6
83.08616	3.5
84.04494	1.4
85.02925	10.0
85.06554	2.1
91.05487	3.0
93.07052	4.5
95.04973	1.8
95.08620	8.1
97.02907	6.5
97.10171	2.3
98.20979	2.3
98.97569	2.6
99.08105	3.1
100.11243	2.7
105.07050	2.5
107.04927	2.2
107.08613	10.1
109.02888	2.4
109.10158	5.3
110.97607	1.7
111.04427	1.2
111.08085	2.1
115.03928	2.3
119.08578	1.8
121.10148	15.2
123.11684	1.9
127.03917	2.7
133.04964	3.0
133.10135	6.0
135.08055	2.0
135.11703	1.8
137.05997	2.0
137.09595	4.4
139.11191	1.4
147.04443	1.6
149.13251	2.0
151.35728	1.2
153.01843	7.0
154.02179	1.9
154.12288	1.8
177.16403	26.8
179.20311	1.5
182.15443	2.5
182.99623	1.8
183.47351	1.3
184.06017	1.4
191.14290	3.7
192.06493	1.8
192.14687	1.4
195.17484	5.8
210.14897	2.4
210.22771	1.3
211.10609	1.4
213.18498	12.0
217.90024	1.2
249.02931	2.4
271.10132	4.0
281.18790	1.7
333.08115	1.9
335.09491	5.1
393.18790	2.5
507.34909	2.6
524.21942	1.4
524.38318	2.0
525.23126	100.0
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
53.03939	11.6
55.01875	20.8
55.05296	4.4
55.05518	45.2
57.03424	16.0
57.07071	8.7
59.04995	15.7
63.77527	3.7
65.03943	6.2
67.05174	5.5
67.05509	88.1
67.71709	3.8
67.95145	4.3
69.03428	17.5
69.07069	23.5
71.05002	39.8
71.37428	7.3
79.05057	5.8
79.05497	88.0
81.03423	60.4
81.07063	100.0
81.67891	3.7
81.94729	4.2
83.04973	25.4
83.08609	27.8
85.02898	10.5
85.06541	18.1
87.04479	4.4
91.04962	8.0
91.05488	83.9
93.07044	90.4
93.29399	3.6
95.04962	39.9
95.08609	54.5
97.06527	18.4
97.10188	23.5
97.50259	5.0
99.04453	4.9
105.07030	54.1
107.04932	17.8
107.08605	51.0
109.06509	14.0
109.10175	30.8
110.00694	4.0
111.04438	8.9
111.08099	15.4
117.06999	14.5
117.79662	3.7
119.08583	47.2
120.48869	3.9
121.01060	3.7
121.06528	12.8
121.10150	63.7
123.04425	5.8
123.08080	13.0
123.11717	9.5
125.06019	5.0
125.09626	19.2
127.03864	4.0
129.07005	21.8
131.08586	35.1
133.10130	28.4
135.04410	5.8
135.08075	8.5
135.11705	26.8
137.05948	4.8
137.09612	8.7
139.11174	4.2
142.07716	4.2
143.08611	6.2
145.06454	4.6
145.10139	25.6
147.08015	11.2
147.11681	29.3
148.05292	3.7
149.09633	33.4
151.07631	4.7
151.11148	4.6
153.09189	4.7
153.12764	7.0
155.08559	6.2
157.10127	17.5
159.11699	8.0
163.07600	8.6
163.11163	28.2
165.12683	8.2
167.06992	8.2
171.11638	6.6
173.09631	7.2
175.11209	13.4
177.12758	5.3
181.12303	8.5
185.13278	5.6
189.11208	7.1
191.10625	9.1
193.12248	44.1
199.13229	7.2
205.12227	4.5
209.11777	9.6
211.13300	60.4
221.11765	4.2
223.13263	3.8
225.14885	14.7
227.12781	18.5
249.14937	9.4
259.15402	6.9
267.16000	16.6
283.15375	7.0
355.22565	11.9
365.20898	6.9
373.23502	6.6
383.22205	14.3
401.23102	17.1
415.24915	5.2
433.25797	5.5
447.27594	5.4
475.26651	17.7
479.29895	4.5
489.28470	4.3
493.27863	17.5
507.29642	31.3
525.30579	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01867	3.7
55.05511	2.5
57.03442	8.6
57.07071	2.3
59.05005	1.1
60.17502	0.9
61.02927	5.8
67.05504	6.7
69.03430	19.5
69.07090	2.6
69.70609	4.6
71.01356	1.8
71.04996	2.5
71.36082	0.9
73.02918	30.5
75.14288	1.1
79.05495	20.4
81.03419	5.6
81.07062	13.0
82.60361	1.1
83.04989	2.5
83.07462	1.1
83.08623	1.2
85.02418	2.0
85.02910	30.1
85.06516	1.6
87.04443	2.3
91.05478	9.1
93.07048	51.2
95.04974	6.0
95.08616	15.1
96.05313	1.1
97.02895	29.1
97.06516	3.0
98.20911	2.8
98.21481	1.2
99.04464	3.2
103.03944	1.2
105.07040	4.5
107.04966	2.2
107.08611	15.9
109.02892	5.5
109.06499	1.4
109.10146	3.0
111.08073	1.4
115.03930	11.1
117.07034	2.6
119.08563	3.3
121.06506	9.9
121.10136	3.6
123.08109	5.5
125.05979	3.3
127.03912	12.1
131.08574	3.9
133.04974	10.0
133.10130	10.9
135.08081	9.7
135.11696	79.8
137.05981	2.2
139.07578	7.0
145.04956	10.3
147.11684	1.6
149.09637	1.3
149.13260	11.0
153.01836	13.7
153.09113	6.8
154.02185	3.8
159.11711	11.8
163.06017	3.3
171.02991	1.7
177.12764	50.7
178.05008	9.2
195.13817	100.0
209.15273	2.1
210.15755	1.3
211.90620	1.1
213.14824	6.6
223.05925	1.7
227.12575	1.2
241.07164	2.3
259.08163	3.9
302.65851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01852	4.2
55.05488	3.7
57.03440	7.0
57.07064	4.5
59.05024	1.3
61.02927	6.1
67.05500	9.0
69.03081	1.3
69.03429	20.7
69.07044	3.9
71.01345	2.4
71.04968	2.4
71.33470	1.9
73.02917	27.2
79.05495	22.0
81.03404	6.3
81.06638	1.3
81.07057	12.9
83.04981	3.0
83.08586	2.3
84.35585	1.1
85.02905	35.5
85.03426	2.2
85.06541	1.5
87.04458	2.3
87.44468	1.1
91.03973	1.2
91.05488	8.4
93.07043	52.0
95.04970	6.3
95.08614	15.0
97.02893	28.2
97.06505	2.7
99.04432	3.1
99.08060	1.2
101.42628	1.3
103.03932	1.8
105.07020	5.7
107.08596	16.7
109.02876	5.3
109.10152	2.9
110.10414	0.9
111.04436	1.1
111.77520	1.0
115.03928	13.2
117.07003	3.1
119.08580	2.5
121.06516	7.5
121.10126	4.2
123.08062	4.2
123.84198	1.2
125.05948	3.0
127.03923	13.9
127.07525	1.1
131.08554	3.9
133.04976	8.9
133.10132	12.2
135.08058	9.5
135.11694	89.2
136.11975	1.9
139.07532	7.1
145.04962	12.4
147.11659	1.4
149.09555	1.8
149.13254	11.7
153.01845	16.2
153.09151	6.7
154.02141	3.4
159.11687	11.2
163.06004	3.1
171.02870	1.5
177.12750	57.1
178.04993	11.3
189.39195	1.0
195.13808	100.0
196.14120	1.4
202.51122	1.3
209.15350	2.1
210.15726	2.2
213.14847	7.6
223.05998	2.9
241.07085	3.4
259.08185	5.4
363.93970	1.1
426.13455	1.2
436.03958	1.1
539.45819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80185	0.6
53.03945	3.2
55.01871	1.9
55.05513	14.5
57.03439	6.6
57.07080	40.6
59.57706	0.7
65.03949	0.8
67.05508	26.0
67.38050	0.8
69.03416	2.1
69.07067	10.5
69.61629	4.5
71.05007	3.7
71.08634	27.1
79.05497	14.5
81.03422	39.4
81.07062	29.3
83.04992	7.0
83.08622	23.5
85.02907	19.4
85.03421	0.9
85.06577	1.1
85.09706	1.2
85.10186	15.7
91.05486	17.4
92.86537	0.8
93.07056	9.2
95.04975	15.8
95.08614	32.2
97.02899	2.4
97.06519	2.3
97.10185	6.9
98.21242	2.7
99.08089	1.2
105.07035	15.1
105.97566	0.8
107.04961	2.8
107.08613	4.3
109.06527	2.3
109.10159	13.0
111.04468	1.6
111.08078	7.2
111.11735	1.1
113.06040	2.0
113.13351	0.9
115.05433	1.4
117.06998	1.4
119.08588	11.0
120.25328	0.8
121.06522	1.4
121.10133	5.7
123.08064	1.4
123.11700	5.2
125.13262	0.8
129.07004	5.7
131.08583	7.0
133.06497	1.6
133.10104	6.6
137.09648	0.9
137.13278	1.8
142.07805	1.8
143.22284	0.8
145.10158	1.2
147.08046	1.7
147.11682	8.7
149.09645	3.4
157.10150	9.9
165.12717	1.7
175.11192	9.3
183.96495	0.7
193.10941	0.6
193.12253	43.3
211.13297	45.8
221.22633	1.6
228.83067	0.9
239.23703	6.0
239.43817	0.8
249.14816	1.0
267.15909	5.7
272.64340	0.9
281.85712	0.7
313.27365	5.5
505.39011	3.7
523.39954	100.0
524.40338	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24272	2.4
53.03935	2.7
55.05511	21.6
57.03443	14.3
57.07076	57.5
67.05508	33.1
69.03400	2.6
69.07061	16.8
71.04988	5.8
71.08627	41.4
71.58202	2.2
79.05492	19.6
81.03419	90.4
81.07053	44.6
83.04974	10.1
83.08621	34.7
85.02885	17.2
85.10181	21.4
91.05479	23.4
93.07047	11.5
95.04978	25.6
95.08607	36.5
97.06561	4.8
97.10158	12.3
99.08120	2.9
99.42711	2.0
101.17937	2.3
105.07040	22.4
107.04974	6.9
107.08597	5.1
109.06524	5.4
109.10146	21.3
111.08091	10.2
113.06037	2.7
119.08575	17.4
121.10156	9.9
123.11722	7.0
125.13250	2.6
129.07018	12.4
131.08572	7.7
133.10153	8.3
137.13176	3.1
142.07841	3.8
147.08055	3.5
147.11725	13.8
149.09641	4.6
151.14810	2.2
157.10161	13.1
161.09616	2.3
165.12723	2.6
175.11140	11.0
181.57805	2.3
193.12262	50.6
200.81609	2.1
211.13275	46.8
239.23770	9.3
249.14886	3.6
267.15915	53.8
267.18564	4.2
310.63388	2.4
313.27371	49.7
505.38861	29.3
523.39948	100.0
524.40417	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
53.50402	4.1
55.05510	18.1
57.03444	23.2
57.07081	58.1
65.10513	4.2
67.05511	38.4
67.57008	4.1
69.07060	18.5
70.70880	12.1
71.08633	39.1
79.05497	25.8
81.03419	100.0
81.07056	50.6
83.04984	8.2
83.08622	30.2
85.02916	13.6
85.10187	26.7
91.05493	32.6
93.07046	12.6
95.04968	34.2
95.08598	44.5
97.10131	7.3
105.07037	20.0
107.05016	5.6
107.08567	8.8
109.10165	13.5
111.08060	5.8
119.08605	14.5
121.10167	8.4
123.11667	7.0
129.06998	9.4
131.08546	13.6
147.11711	10.7
157.10150	12.8
165.12703	5.4
175.11209	14.3
193.12234	69.0
201.06213	4.9
211.13342	25.4
239.23718	9.6
267.15942	78.1
313.27338	73.8
334.46390	4.9
377.40970	5.7
415.06870	5.0
505.38959	62.2
516.03473	5.1
523.39893	48.3
530.61804	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93818	0.8
53.03937	1.8
55.01865	1.9
55.05257	1.3
55.05511	17.0
57.03436	6.5
57.07076	45.1
59.04985	0.8
65.03940	1.1
67.05504	32.2
68.28387	0.9
69.03439	2.0
69.07060	13.1
71.04984	3.5
71.08629	33.4
71.87736	0.8
76.21314	0.8
79.05489	15.8
81.03416	41.2
81.07057	36.7
83.04978	8.9
83.08617	27.6
83.09110	1.7
85.02903	20.5
85.06528	1.3
85.10185	16.4
91.05479	21.1
93.07037	10.7
95.04972	15.4
95.08603	36.5
97.02889	1.3
97.06541	3.0
97.10151	7.3
98.20693	1.6
98.21384	3.3
99.08051	1.3
99.11707	1.4
105.07022	16.0
105.07674	1.4
107.04964	3.2
107.08577	4.8
109.06538	3.2
109.10159	14.1
111.04418	1.7
111.08079	7.7
111.11732	1.3
111.48087	0.9
113.06013	1.3
113.73072	0.8
115.05491	1.3
118.85200	0.9
119.08579	13.3
121.06535	1.2
121.10130	6.5
123.08081	1.9
123.11713	7.2
129.07019	8.3
131.08569	7.6
133.06517	1.6
133.10138	8.2
137.09581	1.2
137.13272	3.0
142.07808	2.2
145.10167	1.6
147.08057	2.8
147.11693	9.4
149.09601	4.3
151.14851	1.0
157.10104	8.1
165.12755	2.2
165.16452	1.1
175.11172	8.7
193.12244	46.6
211.13297	47.2
239.23689	9.3
249.14851	2.0
267.15866	5.6
313.27350	7.6
505.38672	4.0
523.39917	100.0
524.40460	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
54.11861	1.0
55.01870	2.1
55.05515	14.5
57.03439	8.2
57.07076	37.3
65.03935	2.2
67.05504	25.0
69.03435	1.6
69.07066	8.8
69.93639	5.0
71.04989	3.6
71.08636	22.3
79.05497	14.0
81.03418	36.0
81.07058	28.5
83.04988	8.0
83.08621	24.4
85.02901	21.5
85.06538	1.7
85.10188	11.5
91.05485	16.1
93.02795	0.8
93.07051	9.5
93.15760	1.0
95.04974	14.8
95.08613	27.7
97.02914	1.7
97.06551	2.7
97.10168	6.8
98.21072	2.5
105.07029	14.6
107.04948	2.6
107.08590	3.1
109.06555	1.2
109.10149	11.0
111.04456	1.7
111.08091	7.5
113.06017	1.9
119.08581	11.2
121.06481	1.7
121.10155	5.3
123.08030	1.4
123.11743	6.6
125.09670	1.0
129.06998	5.0
131.08554	6.6
133.10109	4.7
137.09651	1.3
137.13208	2.2
142.07777	1.2
147.08032	2.1
147.11662	6.1
149.09610	3.1
157.10136	7.5
165.12711	1.2
175.11208	9.3
193.12250	37.1
211.13292	39.4
217.35031	0.9
223.61049	1.0
239.23718	6.4
267.15955	6.0
285.17175	1.2
313.27173	4.8
326.12570	0.9
368.66556	1.0
440.46970	1.0
505.38867	2.2
521.78741	1.1
523.39948	100.0
524.40106	2.4
547.23743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.11029	0.7
55.01868	1.7
55.05263	1.0
55.05514	17.3
57.03442	9.3
57.07079	47.1
64.18637	0.7
65.03933	1.5
67.05508	32.3
69.03422	2.9
69.07072	13.5
69.28136	0.8
71.04994	4.5
71.08635	32.4
74.09733	0.8
77.03928	0.9
77.15577	0.7
79.05051	1.5
79.05495	19.8
81.03423	46.9
81.07057	38.4
83.04980	9.0
83.08621	28.9
84.24510	0.7
85.02908	24.5
85.06535	2.1
85.10188	18.7
91.05485	21.3
93.07057	12.3
95.04974	16.1
95.08614	36.6
97.02897	2.6
97.06518	2.6
97.10177	7.4
98.20766	1.7
98.21444	2.7
99.08096	1.4
99.11759	1.0
105.07039	15.7
107.04964	3.8
107.08617	4.2
109.06519	2.3
109.10174	15.7
111.04452	1.1
111.08082	8.7
111.11712	1.4
113.06027	1.9
114.64944	1.0
115.05437	1.7
117.07034	1.1
119.08609	14.2
121.10151	6.3
123.08028	1.7
123.11702	7.4
125.09587	1.1
125.13266	1.0
129.07021	7.2
131.08574	7.5
133.06509	1.9
133.10139	5.2
137.09589	1.4
137.13272	2.7
142.07822	2.2
145.10094	1.5
147.08043	1.5
147.11697	9.3
149.09619	3.9
157.10130	9.0
157.11273	0.8
165.12796	2.0
165.16385	0.9
175.11176	12.2
193.12259	47.5
211.13304	48.8
212.34233	0.7
221.22687	0.9
222.55513	0.7
239.23698	8.1
249.14853	1.4
267.15869	5.3
313.27286	5.1
449.36899	0.9
505.38876	2.1
523.39966	100.0
524.40332	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	20.5
57.07079	29.6
66.36220	4.4
67.05520	25.1
67.05824	4.5
69.03412	14.5
69.07058	28.4
71.04980	10.6
71.30436	4.6
79.05485	14.9
81.07054	100.0
83.04987	6.4
83.08617	10.0
85.02892	9.5
85.06548	31.2
90.33114	5.4
91.05463	19.2
93.07043	51.7
95.04953	9.5
95.08601	78.1
97.02864	7.0
97.06487	6.3
98.21221	7.7
99.08098	8.4
105.07022	30.7
107.08590	44.5
109.06483	9.1
109.10159	46.4
117.07082	5.8
119.08581	23.1
121.10143	43.8
123.08070	8.2
123.11710	51.6
124.67854	5.6
125.09599	8.1
127.03910	8.2
131.08505	5.1
133.10110	24.2
135.11696	25.5
137.05991	6.1
137.09561	9.7
137.13229	17.6
145.10101	8.7
147.11694	12.7
149.09598	23.1
149.13248	22.8
151.67899	5.4
153.01855	14.0
153.12769	7.8
159.11699	14.1
161.13216	10.3
163.14844	7.0
175.14827	8.3
178.04961	8.6
189.16301	10.8
194.16257	7.8
204.11484	5.4
205.47270	5.5
215.17941	7.4
228.63167	5.4
251.20058	12.8
271.24158	5.5
277.03351	8.9
277.25305	12.7
289.25183	7.3
295.26440	11.2
307.26108	26.1
325.27148	9.7
349.47684	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.05515	8.7
57.03431	3.8
57.07069	7.7
63.76910	3.1
66.69051	3.9
67.05515	24.0
69.03429	16.4
69.07074	23.6
69.40384	32.3
71.04992	6.4
74.45811	3.5
79.05482	16.2
81.03423	6.6
81.07060	63.0
83.04984	8.6
83.08600	5.8
85.02904	9.5
85.06541	14.6
91.05472	13.0
93.07044	31.5
95.04947	8.9
95.08614	49.5
97.02869	10.8
97.06541	5.2
98.21188	17.0
99.08108	4.1
105.07030	21.4
107.04982	5.6
107.08603	37.5
109.02887	6.7
109.06506	6.7
109.10159	39.2
111.08092	8.0
117.07001	4.4
119.08582	20.0
119.27882	3.7
121.10149	28.7
123.08074	4.3
123.11713	24.4
125.09637	11.5
127.03956	4.6
133.10129	15.5
135.07994	9.2
135.11691	21.3
137.05992	16.8
137.09596	8.3
137.13286	11.7
143.03313	4.9
145.10143	7.5
147.11690	10.8
149.13304	20.4
151.07520	4.2
153.01831	100.0
153.02945	3.4
159.11775	6.2
161.06018	4.6
161.13298	3.7
163.07558	4.2
163.14801	12.6
165.12715	5.9
165.31895	3.9
167.07028	8.6
171.02864	10.8
173.13295	9.0
175.14787	6.3
177.09177	3.9
179.14317	4.9
191.14330	26.2
193.15869	8.7
203.17941	4.3
209.15373	31.8
211.16997	11.1
229.17926	8.9
271.24237	6.3
277.25381	6.0
281.15125	4.9
289.25375	13.7
295.26294	8.3
297.06171	5.8
307.26233	24.2
315.07047	12.4
325.27356	12.5
382.61230	4.1
436.77283	4.0
519.72241	3.7
523.15613	9.5
537.93372	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
53.03952	3.4
55.01871	2.2
55.05257	1.1
55.05514	19.0
57.03442	10.7
57.07080	50.5
59.00568	0.7
65.03953	1.9
67.05510	35.2
68.10624	0.6
69.03422	3.5
69.07071	16.1
71.05003	5.5
71.08634	31.8
79.05495	20.2
81.03422	46.4
81.07062	41.8
83.04984	8.4
83.08627	28.4
85.02912	24.1
85.06543	2.4
85.10188	18.7
89.06018	1.0
91.05481	24.3
92.47824	0.7
93.07049	12.6
95.04974	20.3
95.05556	1.4
95.08610	35.7
96.08954	0.7
97.02905	2.4
97.06536	3.2
97.10162	7.2
98.21111	5.9
99.08096	1.1
99.11771	1.1
102.85346	0.6
103.05489	1.2
105.07037	16.4
107.04931	3.4
107.08612	4.5
109.06534	3.0
109.10153	14.4
111.04433	1.6
111.08090	7.3
111.11751	1.4
113.06026	2.2
115.05446	1.5
117.07041	0.8
119.08592	15.6
121.06527	1.6
121.10157	7.9
123.08067	1.2
123.11690	6.3
125.09667	1.1
125.13281	0.8
129.07008	8.4
131.08563	9.7
133.06462	2.0
133.10143	8.6
135.11719	1.0
137.09631	1.0
137.13257	2.7
142.07764	1.7
145.10194	1.3
147.08049	2.0
147.11705	10.4
149.09599	4.8
157.10139	9.7
165.12784	3.0
175.11192	11.4
193.12256	49.2
211.13304	52.9
229.31859	0.9
239.23761	8.9
249.14972	1.7
267.15866	9.2
267.18546	0.9
285.16986	1.2
313.27390	11.6
359.99536	0.7
505.38855	4.7
523.39972	100.0
524.40277	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	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86903	0.7
51.02381	0.6
53.03964	1.5
55.05505	1.5
59.28922	0.6
67.05518	2.2
68.46786	0.6
69.03437	7.1
69.07076	1.8
70.00288	2.8
70.06595	0.8
79.01849	4.1
79.05487	2.1
81.03419	9.5
81.07053	4.5
83.04974	1.7
85.02928	3.2
88.04401	0.5
89.45225	0.6
91.05480	1.9
93.07040	2.8
95.04977	3.2
95.08599	5.0
97.02882	4.4
98.20869	0.8
98.21407	1.2
105.07018	3.5
107.01303	1.7
107.08597	8.0
109.02885	3.5
109.06521	6.1
109.10159	3.0
110.49870	0.6
117.07014	0.8
119.08580	2.9
121.06546	0.8
121.10132	11.3
122.07265	2.0
123.08065	4.8
123.11710	2.8
125.02341	4.2
127.03916	5.3
131.08551	1.0
133.10129	11.3
135.08070	1.5
135.11688	0.8
137.09624	16.4
137.13240	1.0
143.03391	6.0
145.04918	1.7
145.10106	0.9
147.11673	2.3
149.09637	5.0
149.13240	5.8
151.11185	10.7
153.01834	87.6
154.02158	1.2
163.14799	1.1
165.12756	44.3
171.02873	7.8
173.13283	2.0
191.14291	11.0
191.82733	0.6
193.15938	1.2
209.15370	100.0
210.15668	1.9
297.05963	4.9
310.58615	0.7
315.07074	5.9
372.96243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
52.83092	0.2
53.03934	0.7
55.01862	0.6
55.05491	1.1
57.03418	0.6
57.07062	0.2
61.02893	0.2
67.05479	0.9
69.03430	2.4
69.07056	0.8
70.03736	0.2
70.06590	0.3
71.04960	0.4
71.56834	0.4
73.02878	0.4
79.01857	2.2
79.05495	1.4
81.03417	3.3
81.07060	2.1
83.04987	0.3
83.08612	0.4
84.36414	0.2
85.02910	2.4
85.06528	0.9
87.12582	0.2
89.42664	0.3
91.05480	1.5
93.07052	3.2
95.04970	0.3
95.08615	1.5
97.02884	2.0
97.06534	0.3
98.21159	0.4
98.97598	0.3
99.04440	0.4
103.05443	0.4
105.07036	1.8
107.01335	0.6
107.08596	1.7
109.02881	3.0
109.06539	0.5
109.10164	1.5
111.04381	0.4
111.08091	0.4
114.71312	0.3
118.74607	0.3
119.00511	0.2
119.08573	1.6
121.06469	0.5
121.09285	0.5
121.10133	4.1
122.10464	0.3
123.08089	0.6
123.11716	0.7
125.02347	1.8
125.09631	0.7
127.03934	2.8
131.08536	0.4
133.06491	0.7
133.10135	0.2
134.06772	0.5
135.08051	0.9
135.11705	0.7
137.02335	2.6
137.05939	1.1
137.09628	2.1
139.11165	0.3
143.03416	2.7
145.04959	0.3
145.10139	0.3
147.11650	0.3
149.09621	100.0
150.10016	1.3
153.01830	47.7
153.02867	2.1
154.02167	0.5
155.03394	0.3
155.43494	0.2
156.97728	0.2
159.11646	0.3
161.09625	0.2
161.13272	0.3
163.11192	0.4
167.07094	0.5
171.02870	4.1
171.13823	0.2
173.13239	0.6
174.13640	0.4
189.12793	0.5
191.14316	6.9
192.14691	0.9
195.06784	0.3
207.13785	0.6
209.15369	18.4
210.15680	1.6
211.16025	0.4
212.16151	0.3
214.08646	0.4
271.10257	0.5
272.10858	0.4
278.04971	0.2
291.03625	0.3
297.06052	2.6
307.26260	0.4
315.07074	3.4
325.27353	0.3
352.14758	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	523.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03941	0.5
55.05510	0.6
57.03442	0.3
67.05530	0.4
69.03424	1.7
69.07083	0.3
70.87150	0.5
70.87489	0.4
71.04974	0.3
79.01860	2.3
79.05498	1.4
81.03418	3.4
81.07056	1.3
85.02894	1.6
85.06541	0.4
91.05468	0.7
93.07059	3.2
95.04978	0.7
95.08600	0.9
97.02892	2.2
98.21259	0.3
99.04431	0.5
102.06010	0.3
103.05424	0.3
105.07048	2.0
105.45881	0.3
107.01296	0.8
107.08595	0.9
109.02889	2.2
109.10121	0.7
119.08588	0.8
121.06499	0.4
121.10142	3.9
122.76278	0.3
123.08105	0.5
123.11740	0.4
125.02335	1.7
125.09612	0.5
127.03929	2.5
133.06487	1.3
133.10135	0.3
134.06804	0.5
135.08018	0.6
135.11703	0.5
137.02336	2.2
137.03360	0.4
137.06003	0.8
137.09599	1.5
143.03409	2.7
145.04985	0.3
147.11633	0.3
149.09619	100.0
150.09940	1.3
153.01830	44.5
153.02798	1.8
154.02199	0.6
171.02893	3.6
191.14314	6.7
192.14708	0.6
200.12634	0.3
207.13846	0.4
209.15376	15.8
210.15648	1.4
211.15930	0.3
222.29665	0.3
237.10379	0.3
245.83377	0.3
271.10403	0.3
278.60013	0.3
297.06039	2.4
315.07156	2.7
327.60953	0.3
371.20673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2177
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
52.27930	0.8
53.03934	1.6
55.01876	1.3
55.05511	3.6
57.07067	0.9
63.69629	0.7
67.05510	4.5
69.03432	7.8
69.07075	5.6
69.55292	0.6
70.75871	0.7
71.04986	2.6
71.57252	1.3
75.60743	0.7
79.01847	3.4
79.05485	2.9
81.03422	9.0
81.07063	9.5
83.04983	5.9
83.08603	1.4
85.02922	4.5
85.06529	2.5
91.05481	3.8
92.17974	0.8
93.07076	7.0
95.04961	3.5
95.08051	0.9
95.08620	11.5
97.02882	5.5
97.06524	2.4
99.04453	1.5
99.08075	3.0
103.05447	0.7
105.07067	4.3
107.01337	1.9
107.04960	1.1
107.08602	16.7
109.02882	7.7
109.06512	4.1
109.10165	9.6
109.67992	0.8
111.04444	1.3
111.08085	3.1
117.06973	1.0
119.08625	4.7
121.06536	2.1
121.10161	15.1
122.07286	1.1
123.08049	3.4
123.11714	3.0
125.02370	3.6
125.09634	4.2
127.03926	8.8
128.05757	0.8
131.08557	2.7
133.10149	6.1
135.08063	7.2
135.11662	3.7
137.02338	2.4
137.06006	1.4
137.09642	7.9
139.03896	2.1
139.11166	2.2
143.03412	5.7
143.08516	1.2
145.04956	1.4
145.10106	2.8
147.04443	1.5
147.08022	1.2
147.11639	4.0
149.09628	30.8
149.13268	9.8
151.03835	1.0
151.11189	21.9
153.01840	100.0
153.09048	1.3
154.02258	1.1
161.05986	1.4
161.09656	1.0
162.15582	0.7
163.14841	4.3
165.01779	3.7
165.09174	4.0
165.12764	13.3
167.03397	2.1
167.07025	2.8
171.02921	10.1
171.13779	1.2
173.13258	6.4
177.05528	1.5
178.04965	2.9
183.02924	6.5
185.05855	0.9
185.09721	1.0
189.05476	1.5
191.07013	1.8
191.10678	1.0
191.14316	29.7
193.04951	2.1
195.08037	1.2
198.06639	0.9
199.07542	1.3
203.07021	1.1
205.04976	1.3
207.13577	0.9
209.15378	49.1
211.10895	0.8
213.05510	0.8
213.09196	0.7
215.14323	0.8
219.02885	1.0
219.06429	1.0
223.07616	1.9
225.18588	0.7
227.07030	1.2
233.08109	1.0
241.08580	5.5
243.06525	0.8
245.08012	1.5
247.09578	0.9
255.06497	1.6
259.05997	1.1
259.09741	4.1
269.07993	4.7
272.06815	3.2
273.07538	1.5
283.09488	1.0
285.11127	1.5
287.09158	14.6
297.06027	5.2
297.14673	1.1
301.14349	1.0
307.26266	1.5
315.07050	6.2
325.14508	3.9
343.15433	17.8
361.16489	6.6
371.20282	0.8
487.19254	0.9
505.20480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2173
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
51.02373	1.2
53.03942	2.8
55.01870	1.9
55.05507	4.6
57.03431	1.6
57.07059	1.2
63.33098	1.2
65.03925	1.6
67.05506	8.0
69.03434	18.2
69.07085	8.6
70.20328	1.0
70.86111	3.1
71.04987	3.1
72.72524	1.1
76.47733	1.1
79.01856	2.7
79.05485	4.6
81.03421	8.3
81.07061	18.4
83.04974	4.3
83.08604	3.8
85.02911	5.5
85.06541	4.7
91.05480	4.3
93.07055	7.3
95.04966	1.7
95.08617	15.2
97.02899	6.4
97.06563	2.1
97.10155	1.6
98.21156	2.0
99.04459	2.1
99.08080	2.5
105.07024	6.5
107.08599	11.8
109.02864	5.2
109.06501	2.8
109.10159	13.7
119.08582	4.9
121.06528	2.3
121.10170	9.8
123.08106	2.3
123.11721	8.2
125.02344	3.5
125.09608	6.5
127.03950	9.0
127.11190	1.2
131.08578	3.0
133.10121	4.7
135.08028	3.7
135.11682	4.6
137.05978	7.5
137.13245	1.5
143.03418	6.0
145.10132	2.5
147.11693	5.3
149.09622	4.5
149.13257	7.7
151.11185	2.1
153.01837	100.0
153.09158	1.5
153.12749	1.4
155.10640	1.3
155.77350	1.3
159.11685	1.9
161.13199	2.2
163.11241	2.2
163.14835	3.4
165.09140	1.8
165.12749	3.0
167.07063	3.1
169.12259	2.1
171.02887	10.7
173.13263	6.0
175.07561	1.6
175.14804	1.4
178.05031	2.6
179.05299	1.7
181.08601	1.2
191.14314	24.1
193.15793	1.5
203.07103	1.4
209.15388	23.4
211.16966	5.4
229.17992	7.3
258.57977	1.3
259.24451	1.3
277.25363	2.1
289.25232	3.5
295.26227	3.8
297.06094	5.3
307.26334	6.0
315.07056	14.1
322.89825	1.2
325.27316	2.9
507.06094	1.3
523.15771	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2176
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
53.03930	1.9
55.05489	2.1
57.59629	1.0
59.80317	1.0
65.75717	1.1
67.05503	1.3
69.03431	7.7
69.07067	1.8
70.72538	3.1
79.01856	1.9
79.05494	4.6
81.03395	5.8
81.07069	6.7
83.04971	1.7
85.02907	3.6
91.05484	4.4
93.07049	2.2
95.02203	1.2
95.08606	1.4
97.02891	5.0
105.07053	6.1
107.01328	2.0
107.04945	2.8
107.08598	16.7
109.02873	3.1
109.06508	3.4
109.10156	6.4
115.05439	1.2
117.07017	2.5
119.08586	2.1
121.06472	1.6
121.10153	12.1
122.07283	5.1
123.08133	2.5
123.09405	1.3
125.02344	3.1
127.03923	7.9
131.08562	2.5
133.10138	91.1
135.08072	7.8
135.11656	1.2
137.09622	46.8
138.38667	1.4
143.03413	4.9
145.04944	1.8
147.11702	1.9
149.09637	1.4
149.13272	9.2
153.01840	100.0
153.02780	3.6
163.14854	1.6
171.02885	12.6
173.13264	5.0
191.14314	50.6
209.15398	4.6
263.51364	1.2
297.06067	7.4
315.07159	11.2
326.94250	1.2
404.59921	1.2
499.23779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.07470	1.1
69.03416	2.5
69.59745	5.7
71.05003	1.9
79.01844	4.8
79.05479	1.6
79.06625	1.0
81.03429	6.8
81.07040	4.5
83.04976	1.5
85.02900	3.9
85.06567	1.6
91.05488	2.9
93.07042	3.7
95.04974	26.8
97.02911	5.7
98.21107	3.3
99.04481	6.9
105.07027	2.8
107.01308	1.7
107.08582	3.7
109.02871	4.2
109.06528	1.6
109.10152	3.9
113.03484	3.2
115.05483	1.0
119.08553	1.8
121.10161	2.2
125.02331	4.6
127.03909	4.7
133.10156	2.3
135.08072	2.1
137.05974	2.2
143.03406	6.9
145.04932	1.9
145.10199	1.3
153.01839	100.0
153.02899	4.4
153.09111	7.8
159.11879	1.2
167.14281	1.2
171.02899	5.9
173.13303	1.4
191.14336	1.6
209.15381	16.8
233.15108	1.2
243.13408	4.7
253.09886	1.3
255.11163	1.2
267.11319	2.2
268.12054	1.3
295.10751	1.9
297.05991	6.6
313.11810	2.5
315.07059	4.7
334.53256	1.1
373.14011	1.9
401.13364	1.9
445.15823	2.8
455.14670	2.1
463.17068	1.3
473.15448	3.5
487.16980	2.3
491.16534	1.9
505.18298	7.3
523.18799	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01880	1.5
55.05516	1.1
57.03429	3.1
57.07074	2.8
61.02934	3.1
67.05504	2.6
69.03426	6.0
69.07052	1.8
69.37974	5.4
71.04973	1.0
73.02921	9.3
79.05501	1.7
81.03413	1.6
81.07060	16.0
85.02905	14.4
87.04471	10.5
91.05499	0.9
93.07044	1.4
95.08610	4.6
97.02900	10.3
98.20770	1.2
98.21416	1.4
99.04471	0.7
103.03889	0.7
104.92693	0.6
105.07027	2.7
107.08617	3.2
108.08942	0.8
109.02891	2.0
109.10163	2.9
109.83854	0.6
110.10492	0.6
115.03965	3.2
119.08569	3.0
121.06528	0.8
121.10155	2.1
123.08122	0.7
123.11715	41.0
125.13290	6.0
127.03913	5.4
133.04970	4.8
133.10124	1.1
135.11717	1.4
137.05998	1.7
145.04997	4.0
145.10193	0.7
147.07996	0.8
147.11687	1.2
149.13278	2.8
151.11189	100.0
152.11530	0.9
153.01820	5.7
154.02139	1.6
161.09665	0.8
161.13226	1.6
162.13585	1.3
163.06001	1.5
171.11754	0.7
175.14862	1.8
178.04951	1.1
189.12663	1.2
193.15898	4.5
200.08485	0.7
207.13843	4.6
208.14163	3.7
211.16943	88.7
212.17281	1.1
223.06067	1.0
231.81601	0.7
259.08356	0.7
417.72745	0.7
523.18036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34961	0.2
52.98404	0.2
55.05508	0.5
55.59455	0.2
56.05028	0.4
57.07090	0.4
58.06340	0.3
58.06603	0.4
60.07874	0.3
60.08167	6.0
67.05505	1.0
69.07066	1.0
69.66811	1.2
71.07368	2.4
79.05489	0.4
81.03421	0.4
81.07038	1.1
83.08614	0.9
86.09706	30.6
91.05457	0.3
93.07042	0.6
95.08626	0.7
97.10146	0.2
98.20930	0.8
98.98470	2.9
104.10748	2.9
105.07043	0.4
107.08593	0.3
107.95029	0.2
109.10166	0.6
121.10139	0.5
125.00008	20.0
127.92188	0.2
143.01042	0.4
147.11632	0.2
170.19670	0.3
175.14777	0.3
184.07343	100.0
185.07628	0.4
193.12152	0.3
209.11615	0.3
210.11899	0.4
228.23190	0.3
231.56210	0.3
247.08461	0.2
258.10657	0.4
296.41000	0.3
504.34860	1.1
522.35437	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	522.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05509	4.4
67.05490	8.1
69.03423	3.5
69.07070	3.2
71.05000	4.8
71.56655	2.3
73.90247	2.2
79.05498	6.9
81.03402	2.8
81.07064	23.1
83.08630	4.0
85.02881	2.2
85.06577	2.2
91.05463	3.2
93.07057	11.4
95.04961	2.7
95.08617	13.7
97.02904	2.5
97.06499	2.7
99.04471	3.3
105.07035	13.9
107.08601	12.3
107.52242	1.9
109.06532	3.5
109.10168	15.0
113.08661	2.1
119.08585	5.6
121.10144	7.4
123.11707	8.0
126.09245	2.3
127.11206	3.0
131.08554	2.9
133.06511	2.8
133.10126	6.4
135.11702	7.2
137.05952	3.2
137.13364	3.8
145.10143	3.3
147.08044	2.5
147.11690	5.4
149.13268	9.4
153.01794	2.2
153.12740	2.8
154.08640	100.0
159.11795	4.1
161.09642	5.2
163.11159	3.1
178.04993	5.2
187.14734	2.1
189.09093	2.6
211.13203	2.9
277.25204	4.6
289.25360	5.0
295.26355	4.8
307.26260	15.5
325.27399	5.9
443.27820	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	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01868	3.5
55.05503	2.2
57.03435	6.7
59.04998	1.5
61.02924	4.8
67.05496	2.3
69.03429	12.3
69.07060	5.7
71.01350	1.2
71.05006	3.1
71.25191	1.0
72.11163	0.8
73.02922	17.9
79.05495	1.6
81.03407	2.8
81.07054	6.4
83.04955	0.8
83.08615	4.8
85.02903	27.3
85.06553	0.9
87.04455	0.6
91.03934	0.9
91.05489	1.5
93.07047	5.9
95.04962	2.7
95.08612	8.9
97.02897	21.6
97.06538	12.8
97.10181	0.8
98.20840	0.6
98.21410	0.7
98.76701	0.6
99.04444	1.7
99.08107	0.8
102.01690	0.5
103.03977	0.7
105.07032	5.3
107.08585	7.3
109.02867	2.8
109.06519	9.6
109.10159	4.4
111.04421	0.7
111.08096	1.4
111.11681	1.3
115.03934	7.7
115.07566	1.4
117.07063	0.8
119.08575	9.3
121.10147	4.9
123.08075	6.4
123.11727	8.0
125.09618	0.7
127.03905	9.9
133.04962	7.5
133.10133	15.6
134.10483	0.8
135.11697	15.7
137.05942	0.8
137.09615	4.1
141.12776	0.7
143.03389	0.6
145.04971	8.1
145.10068	0.8
147.11652	1.7
149.13261	13.2
151.03909	1.3
151.11232	0.9
153.01822	6.4
153.12744	1.6
154.02176	2.8
155.10646	0.7
159.11649	0.9
161.09680	0.7
163.05986	4.2
163.11189	0.9
165.12770	1.2
175.14836	24.4
177.12683	1.1
191.14403	0.6
193.15886	66.0
194.16299	0.8
207.13757	3.0
208.14131	3.0
211.16933	100.0
212.17310	1.5
217.06819	0.9
223.05945	1.2
241.07068	2.1
259.08197	2.9
295.10245	0.9
319.96506	0.6
373.22159	2.2
546.53485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23238	0.8
55.01859	1.8
55.05502	1.8
57.03442	5.1
57.07067	1.0
59.05009	1.7
61.02922	3.7
67.05510	1.5
69.03426	10.9
69.07076	4.5
71.05001	4.5
71.24980	1.5
73.02916	13.5
79.05461	1.0
81.03415	2.0
81.07059	5.0
83.08626	3.9
85.02415	1.5
85.02908	20.5
87.04468	1.6
91.05501	1.8
91.53577	0.9
93.07041	3.1
95.04970	1.7
95.08616	5.8
97.02899	16.5
97.06549	5.0
97.07057	0.9
98.21069	1.0
99.04453	2.3
105.07061	1.8
107.08601	6.0
109.02881	2.1
109.06528	3.0
109.10146	3.4
115.03938	5.4
115.07549	2.2
119.08597	5.7
121.10147	3.7
123.08086	3.1
123.11723	11.0
127.03922	7.5
133.04962	6.1
133.10141	10.2
135.11684	11.3
137.09602	1.8
141.12733	1.9
145.04965	6.3
147.11685	1.9
149.13255	7.5
153.12753	1.3
162.04637	0.8
163.06055	3.3
167.14262	1.2
175.14825	15.8
178.04980	1.3
184.46660	0.9
193.15877	16.5
211.16936	100.0
212.17149	1.2
223.06108	1.8
241.07124	2.1
259.08084	2.3
373.21951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01869	5.5
55.05516	38.3
57.03434	7.8
57.06823	1.4
57.07080	19.3
61.65578	1.0
65.03934	1.4
67.05507	30.2
69.03426	2.6
69.07072	38.2
71.04984	4.3
71.08643	11.8
71.24333	2.6
79.05060	1.6
79.05498	25.7
81.03423	40.0
81.07063	27.2
83.04977	9.7
83.08621	42.1
85.02912	17.0
85.06551	1.3
85.10182	5.5
86.34339	1.0
91.05486	23.6
93.07045	17.1
95.04971	18.5
95.08606	18.3
97.02907	3.2
97.06532	3.7
97.10178	22.8
105.07034	16.0
107.04967	7.5
107.08597	7.5
109.06512	3.1
109.10178	6.4
111.04455	3.4
111.08106	7.5
111.11730	6.8
115.05525	1.8
117.07039	3.4
119.08582	15.3
119.63518	1.1
121.06502	1.3
121.10140	10.2
123.08079	2.3
123.11732	4.5
125.09665	1.3
128.31662	0.9
129.06995	6.0
131.08577	9.3
133.10138	7.5
135.08078	1.1
135.11696	4.7
137.09595	1.7
142.07822	2.2
144.33467	1.2
145.10164	4.1
147.08057	1.3
147.11678	8.7
149.09641	3.0
153.12764	1.8
157.10121	9.1
163.11177	6.1
165.12785	1.8
173.09673	1.4
175.11215	7.3
181.12181	1.5
191.10735	2.3
193.12245	30.8
209.11758	7.4
211.13312	33.1
219.21007	1.1
225.00983	1.3
227.12842	4.5
229.14418	1.4
237.22179	11.5
239.23709	2.4
265.14380	1.8
267.15967	5.6
298.47989	1.2
299.09448	2.9
311.25879	2.3
313.27356	2.7
357.37332	1.1
456.87671	1.1
503.37772	2.5
521.18097	4.0
521.38440	100.0
522.39081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63827	0.8
53.03971	1.8
55.01870	6.5
55.05513	22.4
57.03449	4.3
57.07079	40.5
59.05007	1.1
67.05508	31.1
69.03431	2.0
69.07068	15.1
69.28283	9.5
71.05000	4.3
71.08636	28.4
79.05493	29.2
81.03422	7.3
81.07060	39.2
83.01353	2.9
83.04980	6.8
83.08620	22.3
85.02936	2.5
85.10194	13.1
85.84705	1.0
91.05489	16.3
93.06464	2.2
93.07050	38.7
95.04985	10.8
95.08611	51.5
97.02892	3.8
97.06548	3.5
97.10170	8.7
98.20932	3.8
99.04463	4.1
99.08124	1.3
105.07031	11.3
107.04951	10.7
107.08599	23.3
109.06538	4.4
109.10162	14.2
111.04456	1.8
111.08089	1.9
111.11720	2.5
116.93752	1.0
117.07025	9.2
119.08588	10.8
121.06524	3.1
121.10147	11.9
123.08091	3.2
123.11739	5.0
125.06010	3.3
125.09717	1.2
130.07764	2.1
131.04961	0.9
131.08582	3.4
133.10150	3.9
135.08081	2.8
135.11697	35.8
135.28839	0.9
137.09688	1.4
137.13287	2.1
139.07568	1.7
142.07507	0.9
143.08595	1.7
145.10129	22.6
147.08057	2.1
147.11705	1.8
149.09644	1.6
153.12741	1.1
157.10123	1.9
158.10393	0.8
163.11194	46.8
165.09100	1.2
173.09637	2.9
175.11273	2.1
181.10355	0.8
181.10622	1.1
181.12267	11.4
184.12189	1.1
191.10724	1.5
193.12285	4.0
209.11745	6.0
211.13347	4.0
221.15443	1.8
222.15642	1.0
227.12790	90.0
237.22260	2.5
239.23685	6.7
256.17755	1.1
265.14572	1.2
285.03009	0.9
303.19617	2.4
304.19958	3.4
321.61438	1.0
444.74329	1.1
503.36850	1.0
521.38428	100.0
522.38531	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	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81365	0.8
50.92819	0.8
53.03936	2.7
53.96083	0.9
54.25258	0.7
55.01871	6.4
55.05264	1.2
55.05511	21.5
57.03437	4.4
57.07074	38.8
59.04984	2.1
65.03940	1.8
67.05502	25.8
69.06718	1.3
69.07068	16.7
71.04987	2.1
71.08632	27.4
79.05489	22.4
81.03413	14.5
81.06573	1.7
81.07056	35.0
81.60622	0.8
83.01334	6.2
83.04982	9.7
83.08617	28.1
85.02905	4.9
85.06522	1.7
85.09702	1.3
85.10183	14.2
90.07508	0.9
90.52880	1.0
91.05476	17.7
93.07041	20.4
95.04961	8.0
95.08605	30.0
97.02898	2.4
97.06535	3.5
97.10167	8.7
98.21104	6.8
99.04449	1.2
99.08111	0.9
99.11782	0.8
103.05427	1.0
105.07036	9.9
107.04962	6.8
107.08596	12.5
109.06539	5.3
109.10145	12.7
111.04432	2.6
111.08054	2.1
111.11722	2.3
114.22605	0.8
117.07021	6.6
119.08582	9.2
121.06489	2.5
121.10162	8.2
123.04418	1.0
123.08085	5.8
123.11685	5.0
125.05989	1.4
125.13310	1.5
128.06294	0.9
129.06995	2.8
130.07813	1.3
131.04979	0.9
131.08580	4.3
133.10112	2.5
135.08057	1.2
135.11691	8.7
137.09654	1.7
137.13261	2.8
145.06493	0.9
145.10118	11.7
147.08031	2.4
147.11668	1.6
149.09674	1.5
153.12737	2.1
154.86095	0.8
155.08543	1.2
157.10124	2.1
163.11179	21.6
173.09639	3.0
175.11224	1.6
181.12263	3.6
191.10735	3.3
193.12267	4.8
209.11713	8.7
211.13333	3.7
221.22601	1.7
227.12781	9.0
237.22223	3.0
239.23752	9.1
251.83760	1.1
252.74524	0.9
265.14310	1.1
285.16803	1.1
313.27356	2.1
521.38379	100.0
522.38611	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2899
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
53.03954	6.1
55.01875	12.1
55.05513	59.6
55.77664	1.2
57.03437	9.5
57.07078	29.9
59.06132	1.3
65.03930	4.9
67.05507	58.7
68.99813	1.3
69.03421	4.1
69.07072	57.1
69.39828	11.6
69.41061	1.2
71.04986	6.8
71.08633	17.4
79.05495	48.9
81.03419	34.1
81.06573	2.1
81.07061	54.6
83.04984	16.3
83.08625	55.0
85.02916	17.4
85.06535	3.6
85.07680	1.3
85.10181	9.5
91.05486	53.9
93.07051	44.7
95.04978	22.7
95.08607	40.2
97.02905	4.3
97.06559	6.1
97.10173	31.0
98.21030	5.5
99.04436	2.0
99.08088	3.2
103.05485	1.5
105.04496	1.9
105.07038	37.8
107.04974	8.8
107.08585	24.4
109.06535	5.2
109.10172	14.9
111.04411	3.2
111.08119	6.7
111.11717	10.1
115.05459	2.1
117.07025	7.3
119.07782	2.3
119.08588	28.6
121.06491	3.6
121.10142	19.9
123.04446	2.1
123.08053	4.6
123.11716	7.2
125.05997	1.9
125.09620	1.5
128.06203	2.9
129.07005	11.0
130.07811	1.4
131.08562	16.1
133.06535	2.4
133.10130	27.2
135.08035	3.0
135.11684	17.2
137.05968	5.5
137.09616	2.7
138.06281	1.3
139.03911	14.5
141.05449	5.4
142.07767	2.6
143.08607	2.1
145.10112	13.7
147.08047	2.2
147.11687	20.3
149.09615	5.0
149.13269	4.7
151.03912	4.8
151.07582	1.8
151.11169	1.3
153.01805	4.4
153.05467	16.6
157.10132	9.3
159.11688	2.5
161.13211	2.3
163.03897	2.9
163.07558	2.0
163.11154	8.4
163.14709	1.8
165.01840	7.5
165.05455	3.4
165.12759	4.4
167.03413	41.1
167.07097	3.2
171.11713	4.5
173.09557	1.9
173.13231	2.6
175.11218	11.9
177.05461	6.2
179.07054	6.4
181.05038	2.1
183.02901	6.9
187.14771	6.2
188.01582	1.5
189.16370	10.7
191.07118	1.9
191.10692	2.8
193.05014	3.5
193.08528	1.8
193.12254	30.9
195.06535	3.4
203.07007	2.2
203.18044	3.1
205.08636	4.6
207.10236	2.3
209.11674	7.3
211.13306	31.3
213.16437	7.1
217.08626	3.6
219.10037	2.6
219.21095	2.4
227.12827	4.6
231.10193	3.9
231.17468	5.8
237.22159	15.9
239.23720	2.3
267.15930	4.6
271.13379	1.8
273.14963	1.7
285.17065	1.7
353.21036	9.2
371.22144	32.1
391.62445	1.5
521.38367	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	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01869	1.2
55.05511	1.5
58.61467	1.0
59.04999	2.6
67.05499	4.8
69.03438	7.7
69.07076	2.1
71.04984	1.3
71.10802	2.9
79.01866	3.8
79.05496	2.7
81.03417	6.9
81.07059	3.2
83.04988	6.2
85.02907	3.4
85.06539	2.1
90.28127	1.3
91.05489	5.6
93.07050	4.6
95.01383	1.3
95.04975	2.5
95.08603	6.4
97.02873	5.7
97.06553	1.8
98.21046	1.8
99.04475	1.3
105.07027	8.5
107.04937	1.4
107.08586	8.2
109.02877	8.4
109.06530	5.1
109.10132	1.6
117.07005	1.6
119.08575	9.9
121.06480	2.3
121.10150	5.0
123.08073	14.4
123.11717	1.3
125.02345	3.1
127.03901	6.7
128.06143	1.4
131.08517	1.6
133.06511	2.7
133.10176	7.9
135.08064	3.0
135.11684	3.0
137.05989	2.8
143.03423	6.7
143.08530	2.8
145.10149	4.0
147.04498	1.3
147.08049	5.1
147.11659	7.6
149.09642	14.4
151.07576	1.4
151.11220	1.5
153.01839	100.0
153.02859	4.8
156.09354	2.4
159.08043	5.6
160.08792	2.1
161.09630	2.6
161.13274	6.1
163.11165	6.4
165.09010	1.9
169.05157	1.8
171.02888	5.5
171.11707	3.1
173.13371	2.4
174.10406	12.5
175.11215	1.6
177.09023	1.6
179.03366	1.9
179.14229	1.2
187.11200	2.0
189.12750	28.5
191.14349	9.3
205.04973	1.3
207.13814	48.5
211.07658	1.7
225.09113	1.8
231.13728	1.8
239.07031	2.5
245.15417	1.2
257.08057	3.7
271.06192	1.4
271.09656	1.0
273.07559	1.7
279.04959	1.9
285.07614	3.1
297.06055	4.3
299.09326	2.3
299.12671	1.7
308.10428	1.9
311.09058	1.5
315.07019	3.3
323.12689	2.3
341.13864	25.3
341.99908	1.4
347.98724	1.3
351.18036	1.6
357.08109	1.7
369.19046	1.7
377.01538	1.4
451.15759	1.5
503.18695	1.4
521.20349	2.4
534.48712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03940	3.3
55.01871	0.7
55.05514	1.2
57.03447	0.5
59.76454	0.6
65.03927	0.6
67.05494	1.5
69.03429	6.2
69.07069	0.9
71.41199	1.0
72.80180	0.5
77.03930	0.8
79.01866	1.6
79.05495	12.0
81.03418	3.2
81.07053	2.0
83.04974	2.3
83.08598	0.7
85.02900	1.9
88.94312	0.5
91.05476	3.8
93.07023	1.6
95.04966	4.3
95.08617	1.6
97.02885	2.4
99.04446	1.8
101.73048	0.6
103.05473	6.4
105.04549	0.6
105.07033	13.6
107.08602	2.9
109.02884	1.5
109.06506	1.4
119.08584	4.3
121.06522	6.6
121.10151	1.9
123.08075	2.9
125.02348	1.5
127.03916	2.7
128.06198	0.6
129.06966	0.5
130.19496	0.5
131.08559	2.1
133.06497	100.0
133.10136	5.0
134.06894	0.8
135.08028	2.7
135.11746	0.6
137.05954	2.9
139.11150	0.5
143.03387	2.1
143.08575	1.1
145.10107	1.6
147.08017	2.5
147.11691	2.8
149.09645	2.6
151.07533	1.1
153.01839	38.7
153.02779	1.5
156.09361	1.3
158.10950	1.1
159.08089	1.3
159.11667	0.8
161.09622	4.6
161.13272	1.5
163.11186	9.4
167.07172	0.5
171.02882	4.5
171.11665	1.1
173.13300	1.1
179.10721	1.5
189.09111	1.0
189.12766	30.0
191.14305	16.4
207.13826	25.4
287.05481	0.7
297.06085	1.7
305.13535	0.5
315.07123	3.6
351.18021	0.7
464.85260	0.6
540.64355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
52.07631	0.5
53.03953	2.7
55.01865	0.7
55.05495	1.6
65.03925	1.0
67.05493	1.6
69.03426	6.3
69.07083	0.7
69.73973	1.2
69.74385	2.2
71.04975	0.9
77.47822	0.6
79.01865	1.5
79.05495	11.7
81.03416	3.0
81.07054	1.3
83.04988	1.8
85.02911	1.2
87.95249	0.6
91.05495	2.6
93.07055	1.4
95.04977	4.2
95.08612	0.8
97.02897	1.7
98.20933	1.2
99.04443	1.0
103.05466	5.5
105.04510	0.7
105.07037	9.9
107.08585	3.5
109.02878	1.9
109.06499	1.0
113.82185	0.5
117.07066	0.9
119.04913	0.7
119.08605	3.0
121.06490	5.7
121.10144	1.7
123.08074	1.3
125.02383	1.4
125.37681	0.4
127.03905	2.2
129.06995	1.0
131.08589	1.5
133.06496	100.0
133.10063	3.5
134.06854	0.5
135.08049	3.1
135.11697	0.7
137.05966	2.9
137.09615	0.7
143.03416	2.2
143.08606	1.3
145.06508	0.6
145.10129	1.2
147.08069	2.8
147.11671	2.3
149.09666	1.7
151.07550	0.9
153.01837	37.5
156.09370	1.1
158.10899	0.7
159.08055	1.4
160.08774	0.7
161.09628	3.0
161.13216	0.9
163.11188	7.5
166.79214	0.5
167.06947	0.7
171.02832	2.8
173.13264	1.5
179.10681	1.3
189.12749	25.6
191.14317	15.1
207.13809	20.1
207.15727	1.2
224.37888	0.6
297.06155	2.5
315.07013	3.0
366.27832	0.6
491.82974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47134	6.5
70.55605	12.3
73.04738	5.2
73.37667	5.7
91.05791	5.9
108.21151	5.2
118.06541	15.3
132.08083	7.6
146.06001	51.1
146.59660	4.8
153.01859	7.0
159.09186	9.2
167.42909	5.4
188.07065	100.0
188.08789	7.0
205.09792	36.6
229.38664	5.3
299.06155	7.9
303.01489	8.5
304.41318	6.6
334.27777	5.6
349.49286	5.9
355.53024	5.2
406.99789	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	521.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17492	2.1
52.12941	1.7
55.05506	3.9
57.07074	4.3
58.06598	2.7
65.03955	2.6
67.05508	12.7
69.07069	24.1
70.02944	9.3
70.06587	14.8
71.36526	4.2
73.04034	5.3
79.05460	2.8
81.34592	1.9
84.08153	38.8
85.04024	11.8
85.08925	5.2
86.09711	81.0
88.03993	17.8
91.05484	5.0
95.04983	16.2
96.08147	17.5
97.06499	6.1
98.09686	2.9
105.07007	3.3
107.08574	2.5
110.09647	3.7
112.07603	23.4
113.03455	3.9
113.10746	6.9
119.04974	10.3
121.06488	2.6
123.04411	4.0
123.08049	2.2
129.10234	2.9
132.08099	3.6
133.06589	1.9
134.01997	1.9
135.11687	2.2
136.07596	10.3
138.12764	6.9
138.68750	2.3
141.10240	20.2
143.03357	2.6
147.04359	7.1
149.09593	2.1
152.14346	14.2
153.01772	6.3
153.15109	5.1
154.15880	7.0
155.11891	2.0
159.06789	2.3
160.07646	9.8
161.09586	5.9
165.05482	6.7
173.06042	1.9
173.09660	16.8
174.12840	2.7
177.05495	2.6
177.09128	6.2
180.13838	6.7
182.08028	4.1
182.10933	2.0
183.04010	2.8
183.11317	2.9
185.09671	7.0
189.05501	5.9
189.09123	53.6
190.12341	3.5
197.16512	18.7
201.11516	2.1
202.12285	77.6
207.13817	3.4
208.13429	5.2
211.10765	4.7
212.10706	19.7
213.09117	9.7
216.06590	2.7
219.10190	4.2
219.14903	4.9
225.15945	6.3
229.11850	7.6
230.11780	4.7
231.07999	3.4
231.10185	49.8
239.10271	4.3
240.10242	3.3
240.50746	2.5
248.12827	53.5
254.11554	2.4
257.12842	9.6
258.11349	12.7
265.15482	32.9
272.12869	2.3
282.11206	7.3
284.12543	3.9
286.10809	2.6
297.10812	7.7
300.12335	2.3
303.13351	5.7
310.10687	5.7
310.17575	3.5
317.14944	21.2
323.16147	4.5
327.13358	9.3
328.11758	13.9
332.23297	3.1
340.18686	7.1
345.14575	19.3
345.54126	2.4
363.15536	100.0
378.23978	13.8
380.18201	19.1
406.23401	2.5
475.25961	11.0
476.23819	6.1
493.26541	47.4
503.25266	2.9
504.23422	2.7
510.25699	2.3
521.26117	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24498	0.1
53.97544	0.1
55.05518	0.3
56.05029	0.7
57.03447	0.1
58.06380	0.2
58.06632	0.4
60.08166	6.9
67.05503	0.9
69.07070	0.4
70.06603	0.2
71.07376	3.5
71.44809	0.2
71.45126	0.1
73.68265	0.1
79.05508	0.2
81.07050	0.7
83.08609	0.2
86.09709	32.2
91.05495	0.2
93.07032	0.2
95.08611	0.4
98.21313	0.1
98.98466	3.4
104.10744	3.3
109.10203	0.3
119.08528	0.2
125.00009	23.7
143.01073	0.2
147.77159	0.1
184.07347	100.0
185.07710	0.4
203.39268	0.1
258.10916	0.1
337.27502	0.2
434.37018	0.1
502.33029	1.0
520.34015	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68267	0.3
55.05506	1.1
55.53524	0.3
56.05041	1.7
58.06586	1.5
59.07370	0.3
60.08167	17.2
60.66795	0.3
67.05508	4.4
69.07063	1.1
70.08337	0.5
70.08729	0.6
71.07377	6.9
79.05495	0.7
81.07060	3.2
83.08634	0.8
86.09709	57.5
91.05487	0.7
93.07051	0.7
95.08613	1.8
98.21136	0.7
98.98468	5.1
104.10748	99.1
107.08603	0.5
109.10147	0.8
112.04874	0.3
121.10197	0.3
125.00011	31.7
133.10152	0.4
161.19135	0.3
163.01567	0.8
174.35641	0.3
184.07349	100.0
249.26424	0.3
258.11093	1.2
289.50287	0.3
337.27344	0.8
424.34644	0.3
443.25516	0.4
474.17975	0.3
502.25607	0.5
502.32953	9.2
520.34003	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11716	0.7
53.03947	1.3
54.11514	0.7
55.01869	1.2
55.05516	7.3
56.94675	0.7
57.07078	8.0
58.35680	0.7
61.82427	0.6
64.87643	0.7
67.05508	9.0
68.05847	0.8
69.07070	9.5
71.08636	5.0
72.91243	0.7
74.09720	100.0
75.37778	0.7
79.05492	9.0
80.05847	1.4
81.03407	1.5
81.07056	11.7
82.07385	0.9
83.04987	1.4
83.08618	6.6
84.08964	1.3
85.10175	2.6
91.05481	6.0
92.05830	1.8
93.07056	8.4
94.07404	2.2
95.04979	2.8
95.08608	9.9
96.08958	2.1
97.10173	4.5
98.21125	5.8
98.36572	0.7
105.07011	4.1
106.07383	1.1
107.04984	0.9
107.08602	3.4
109.06541	0.8
109.10165	5.0
111.11738	1.8
117.07039	1.5
119.08582	2.6
121.06493	1.1
121.10136	2.0
123.11720	1.5
129.07104	0.7
133.10135	0.9
135.11679	2.3
136.12022	0.7
137.13272	1.7
145.10129	2.7
147.08073	0.7
147.11682	2.2
148.12044	1.2
154.14220	0.8
161.13301	1.1
163.11165	3.5
164.11572	1.7
167.07034	16.3
171.11702	1.5
172.12093	1.7
175.51706	0.8
179.07120	1.1
181.12288	1.0
182.47415	0.7
189.12828	0.9
203.10699	0.8
207.13876	2.7
227.12788	4.1
228.13182	1.5
429.33618	12.5
447.34735	1.2
520.41638	11.5
521.38391	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	520.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
69.03429	0.9
69.87300	0.7
69.87700	2.0
71.21884	0.4
79.01860	2.3
81.03429	4.3
85.02910	1.6
89.60487	0.5
97.02887	2.2
98.27972	0.4
107.01344	0.5
109.02898	3.1
125.02367	2.0
127.03914	2.5
132.04457	8.6
132.05400	0.7
143.03380	2.8
153.01837	59.8
153.02814	2.5
160.04018	0.5
171.02913	3.5
178.05000	61.7
179.05362	0.7
206.04491	100.0
207.04872	1.3
212.93254	0.5
220.20108	0.4
242.00493	0.4
246.07832	0.5
297.06064	6.0
315.07031	1.7
368.09717	1.3
387.36584	0.5
431.10184	0.4
520.10248	2.0
520.17468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05508	1.3
57.03417	2.3
57.07074	1.3
61.02913	1.7
63.34785	0.8
67.05499	1.1
69.03432	34.7
69.07058	2.2
71.53352	1.3
73.02917	7.1
79.05494	1.0
81.03419	0.8
81.07073	3.3
83.04965	2.6
83.08649	0.7
85.02908	10.3
85.06531	1.4
86.35987	0.7
91.05476	1.7
92.08160	0.7
93.07043	2.0
95.08613	6.4
97.02884	6.0
97.06518	2.2
101.77023	0.7
105.07017	2.5
107.08600	8.9
109.02863	1.1
109.06499	2.4
109.10181	1.0
111.08121	1.8
115.03941	3.4
119.08559	2.0
121.06487	1.8
121.10141	7.4
123.08095	1.6
123.11702	4.6
125.09639	14.8
127.03897	2.7
131.08542	3.6
133.04974	2.6
133.10153	3.5
135.08038	6.9
135.11668	3.2
140.73735	0.7
143.08492	1.3
145.04959	1.9
145.10107	2.1
147.11687	2.3
149.09608	4.0
149.13242	2.6
153.09090	6.5
158.10947	2.0
163.06067	1.2
163.11192	2.1
163.14821	2.8
165.12785	3.0
173.13269	13.8
176.11867	0.7
191.14308	60.2
209.15370	100.0
259.08072	0.8
503.61462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01855	3.5
55.05513	2.8
57.03435	7.2
61.02910	5.5
65.52501	1.2
67.05492	3.1
69.03431	18.8
69.07067	3.9
69.36588	10.4
70.02735	1.1
71.01380	1.5
71.04990	2.5
73.02922	25.5
79.05483	4.3
81.03416	3.2
81.07062	5.5
83.08607	1.3
85.02422	2.1
85.02909	37.8
85.06564	1.6
87.04463	3.1
91.03916	1.4
91.05461	7.9
93.07036	5.0
95.08591	3.3
97.02911	21.7
97.06538	2.0
98.21105	5.6
99.04467	2.0
103.03960	1.8
103.05517	1.5
105.07036	34.7
107.04967	1.9
107.08575	7.3
109.02874	4.0
109.06484	2.3
109.10160	2.8
115.03927	9.7
116.06203	1.3
116.93848	1.1
117.07009	3.5
119.08581	23.1
121.10154	12.0
123.08134	1.4
127.03899	9.8
131.08572	23.9
133.04962	11.1
133.10138	28.5
135.08034	1.8
135.11632	3.0
137.05978	2.6
143.08563	2.3
144.03860	1.2
145.04965	9.3
145.10130	9.9
147.11694	100.0
148.11981	1.4
149.09622	1.9
153.01849	1.9
157.10214	1.4
158.10870	2.7
159.11513	1.5
161.09618	1.8
163.06036	4.3
163.14862	1.4
164.11430	1.2
173.13278	61.2
175.14844	50.5
177.86861	1.2
191.14317	83.8
207.13849	1.3
207.30450	1.4
209.15363	5.8
214.54552	1.2
214.67532	1.4
223.06042	2.6
241.07072	2.8
245.15138	1.2
259.08087	3.3
295.09985	1.3
410.03226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2594
Annotation	Chlorodesmin
Peak:m/z	Relative Intensity
51.02391	0.4
53.03954	0.4
55.05511	1.1
60.41469	0.3
65.03927	0.9
67.05500	1.6
69.03428	1.4
69.07069	1.4
69.36169	3.3
71.04987	0.5
77.91655	0.4
79.05502	0.8
81.03429	2.3
81.07066	2.3
83.04974	0.9
83.08607	0.5
85.02910	1.3
85.06570	0.6
91.05479	8.3
91.97861	0.4
93.07058	1.6
95.04964	1.0
95.08628	3.0
97.02876	0.7
98.20951	1.7
99.04443	0.4
105.07035	1.8
106.78899	0.3
107.08587	2.4
109.02888	1.0
109.06509	1.0
109.10172	8.3
117.26137	0.4
119.04957	21.3
119.08582	4.0
120.05264	0.5
121.10158	1.5
123.08050	1.3
123.11705	0.9
131.08572	0.5
133.02927	0.5
133.10121	1.8
135.11713	7.7
137.06006	1.0
137.09613	1.3
145.10139	0.6
147.04422	100.0
147.11687	0.6
148.04745	0.6
149.09575	0.4
149.13226	0.6
151.11241	1.0
151.14818	0.7
161.05983	0.4
161.09563	0.4
165.05511	4.6
167.05579	0.4
167.07031	0.4
171.32982	0.4
175.14836	3.2
193.15884	4.2
208.74707	0.3
211.16962	3.9
225.18588	0.7
291.08691	3.6
309.09726	4.6
354.14874	0.4
511.14563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03945	9.3
54.81390	1.1
55.01872	4.7
55.05266	1.9
55.05515	33.2
56.74477	1.3
57.03431	2.9
57.07078	48.6
59.75131	1.3
65.03937	4.0
67.05507	58.8
68.58091	1.1
69.03397	1.5
69.06719	2.2
69.07072	29.1
71.04981	2.2
71.08633	32.7
71.58127	1.9
72.03596	1.2
72.08157	2.7
73.07669	4.8
74.09708	9.4
77.03922	2.5
79.05496	64.3
81.03421	9.0
81.07059	57.2
83.04971	13.0
83.08617	28.8
85.06551	1.8
85.10184	17.8
91.05482	44.0
93.07049	54.6
95.04965	16.8
95.08613	50.5
96.08890	1.5
97.02908	1.9
97.06533	4.2
97.10171	16.4
102.72517	1.3
105.04506	2.6
105.07036	33.4
107.04987	6.3
107.08604	22.4
109.06535	4.6
109.10152	16.3
111.11706	3.6
117.07008	7.8
119.08586	23.8
120.58606	1.2
121.06484	6.0
121.10150	7.6
123.08103	5.9
123.11710	6.0
125.06024	1.9
125.13290	2.0
128.06267	2.9
129.07011	11.0
130.07809	1.3
131.08577	3.9
133.10143	10.1
135.11707	11.7
137.13231	3.4
143.08545	10.1
145.10152	12.3
147.08095	3.3
147.11684	29.8
147.12779	2.1
159.11702	1.4
161.09633	4.2
161.13310	9.8
163.11163	14.1
167.06987	1.7
171.11691	21.5
181.12192	3.6
189.12764	10.2
207.13823	29.8
209.11696	1.7
225.14874	3.9
227.12764	20.1
237.22223	2.9
239.23700	7.3
281.17465	3.2
343.46185	1.4
510.96619	1.4
519.40991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03581	2.8
55.05502	3.9
67.05507	18.9
69.03404	5.7
70.93922	8.4
81.07050	2.6
83.04959	3.9
85.02894	5.4
85.06544	9.1
91.05474	4.0
93.07055	6.7
95.04975	3.4
95.08608	92.5
97.02906	3.2
98.21313	3.6
105.07003	5.2
107.08578	7.4
109.06562	4.0
113.05984	8.5
119.08577	16.7
121.10145	9.7
123.08071	36.3
123.11733	3.9
133.10091	3.7
135.03169	2.7
135.11729	15.3
147.11697	7.5
149.09630	45.6
151.14819	4.7
161.13225	15.1
163.11214	7.4
165.12764	8.8
167.03615	3.0
179.14284	4.0
189.12721	22.8
207.13808	100.0
225.14879	6.1
437.20068	3.1
442.06781	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	519.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01894	0.8
55.05507	1.4
62.38678	0.6
65.03938	1.1
67.05508	4.1
69.03418	2.5
69.07065	2.2
69.45319	2.7
69.45743	2.6
71.04981	0.9
72.96043	0.7
79.05495	2.2
81.03421	4.2
81.07069	5.3
83.04978	1.4
83.08604	0.8
85.02895	1.8
85.06543	1.0
89.91412	0.8
91.05475	12.0
93.07054	4.2
95.04967	2.8
95.08620	3.6
97.02871	0.8
97.06550	1.1
98.20777	1.4
98.21425	1.5
105.07018	4.0
107.04931	1.5
107.08610	5.2
109.02889	1.9
109.06525	1.5
109.10157	9.7
119.04944	18.7
119.08578	4.2
121.10193	3.4
121.10925	0.7
123.08092	2.0
123.11682	1.7
125.09641	1.2
125.63832	0.8
127.03976	1.8
129.06989	1.0
131.08577	1.6
131.70377	0.7
133.10149	5.0
135.08060	1.0
135.11703	5.8
137.05986	2.0
137.09618	3.3
147.04416	100.0
147.11745	0.9
149.09622	2.9
149.13268	1.2
151.11247	0.8
157.10266	1.2
161.13258	0.9
163.07619	1.1
165.05486	5.1
165.09026	1.1
167.05606	0.9
175.14833	4.8
177.12740	0.7
180.53964	0.7
191.14288	1.4
193.15948	4.2
205.08617	0.8
211.16904	7.1
291.08716	3.1
299.06165	1.6
309.09708	4.6
465.28372	1.0
519.28949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01864	1.9
55.05510	4.2
57.03436	4.1
67.05506	3.0
69.03430	4.7
69.07085	1.3
71.04994	1.9
71.18946	1.4
71.19271	1.4
72.84875	1.0
73.06557	17.8
73.47936	1.3
75.04474	1.6
79.05494	4.2
81.03412	3.1
81.07053	4.9
83.04978	3.5
85.02911	7.4
91.05440	1.6
93.07049	1.6
94.04141	1.9
95.04966	2.1
95.08621	5.2
97.02898	5.7
101.06037	2.2
101.88335	1.1
103.05492	2.4
105.07033	24.0
107.04958	2.5
107.08620	2.7
109.02895	3.5
109.10162	1.8
113.03555	1.4
115.05448	1.2
119.08533	2.2
121.06507	1.1
121.10185	2.2
122.03640	3.5
123.04485	1.4
127.03940	4.7
129.08873	1.4
131.08556	1.4
133.06500	53.1
133.75011	1.2
137.05981	100.0
145.04955	1.5
147.04398	1.5
151.07541	3.4
153.01819	12.8
159.11678	1.6
163.07541	4.8
165.09120	31.7
169.15842	1.6
175.07564	5.1
177.05536	1.2
177.09068	2.5
181.08557	1.7
183.10182	25.3
187.07521	1.5
187.16873	2.0
203.10637	2.2
211.10718	2.2
213.09082	1.5
221.11710	3.1
239.12759	3.7
257.13840	41.2
257.16455	2.5
299.06085	2.0
301.07639	1.3
505.14880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.05499	5.6
61.87276	2.8
65.29568	2.8
67.05501	11.1
69.03432	42.8
69.07062	7.4
71.04992	4.1
71.56385	5.4
74.09087	2.9
79.05486	8.9
81.03413	7.4
81.07076	20.1
83.04974	4.7
85.02892	8.6
85.96410	2.7
86.08031	3.3
91.05485	7.6
93.07052	7.5
95.04965	8.8
95.08622	11.4
97.02906	7.6
97.06532	6.9
97.07117	3.4
105.07019	13.6
107.08588	13.3
109.02875	7.0
109.06516	13.0
109.10151	6.5
111.08086	5.3
113.03519	5.0
119.08599	13.6
121.10137	10.9
123.04414	9.9
123.08066	10.1
123.11722	6.1
125.02353	4.7
127.03934	9.4
133.06464	8.7
133.10133	31.1
135.08131	2.9
135.11697	2.8
137.05933	9.8
137.09642	18.2
137.13121	2.9
139.11203	25.4
143.03413	5.9
145.10086	5.3
147.08089	5.0
147.11679	15.1
149.09584	4.8
151.07452	3.8
151.11188	3.2
153.01840	100.0
156.09319	4.6
159.11644	5.8
161.05939	3.7
161.13194	5.0
163.11185	6.2
167.07054	3.8
169.12222	6.0
171.02998	7.6
171.11720	6.4
174.10439	3.1
185.27914	3.2
187.13290	14.6
189.12756	28.4
191.92346	3.5
205.08623	5.2
207.13828	61.5
225.14879	67.1
297.05920	6.9
315.07028	10.1
369.07031	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	519.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.0
57.03419	9.1
59.04988	5.2
61.02658	4.0
61.02938	6.2
67.05493	9.9
69.03434	33.8
69.07056	5.7
70.06591	3.9
70.37141	3.5
71.04987	11.9
71.56805	6.6
73.02939	5.6
79.05482	9.6
81.03422	12.0
81.07055	29.7
83.04951	10.6
85.02914	18.5
91.05463	6.2
93.07035	14.1
95.02451	15.0
95.04971	7.5
95.08609	30.1
97.02905	13.7
99.04488	4.2
99.08134	5.6
105.07035	23.1
107.04976	5.2
107.08585	14.7
109.02881	11.0
109.06509	22.5
109.10138	11.3
113.03487	36.6
113.09678	8.2
118.14787	4.2
119.08595	32.2
121.06534	4.0
121.10145	16.0
123.04443	6.0
123.08057	21.4
125.09620	5.2
127.03899	7.8
133.10136	14.8
135.08069	6.9
135.11687	9.8
137.05980	15.5
137.09616	57.0
139.11186	10.9
145.10117	16.5
147.08049	11.2
147.11691	14.7
149.09599	19.4
151.07562	12.0
153.01831	18.4
156.09221	5.0
161.13274	8.4
163.11206	55.9
165.09128	79.9
165.12718	4.8
167.10666	8.3
171.11739	7.3
177.12758	8.1
179.14229	4.8
189.12767	39.4
205.12154	5.8
207.13815	82.8
211.10805	5.6
225.14874	100.0
243.13409	71.5
275.51855	4.0
298.16098	4.1
299.06335	5.3
369.16467	10.9
393.32150	4.5
519.17834	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.05023	1.2
58.06606	1.5
60.08165	17.4
67.05499	3.5
69.07052	1.1
69.71291	2.4
70.06592	0.4
71.07372	7.3
78.25542	0.4
79.05496	2.1
81.07054	2.4
86.09706	53.9
91.05455	1.8
93.07035	2.8
95.08622	2.6
98.20975	0.9
98.21529	0.3
98.98470	5.1
104.10746	100.0
105.07005	0.6
105.11087	0.5
107.08588	0.8
108.08950	0.4
109.10149	1.2
119.08616	0.5
121.10136	0.6
125.00006	30.0
126.74443	0.4
131.08572	0.4
133.10085	0.3
143.01028	0.6
145.10133	0.5
163.01550	0.9
173.13234	0.4
184.07343	99.5
189.12779	0.5
231.58664	0.4
239.96873	0.3
258.11154	1.1
335.25745	0.8
441.24246	0.5
500.31314	8.3
518.32434	23.7
519.32440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
56.05368	0.4
57.06820	0.7
57.07080	9.1
62.45204	0.6
67.05495	1.2
69.07077	2.2
69.75968	1.1
69.76375	1.9
71.08630	0.6
73.07683	1.1
74.09721	100.0
79.05469	0.6
81.07048	3.5
83.08630	1.1
85.06548	6.5
93.07060	1.1
95.08618	1.9
97.10168	0.8
98.20995	1.6
104.20099	0.5
105.07030	0.9
107.08609	0.8
109.10175	0.7
123.11749	1.2
131.19099	0.5
135.11755	0.7
149.06003	1.0
151.07581	2.2
167.05630	1.3
167.07031	16.1
176.75471	0.5
179.07048	1.0
189.09155	1.5
201.09261	0.6
207.10205	1.6
210.46588	0.5
217.12250	0.7
350.33405	0.6
385.48834	0.5
427.32043	3.0
445.33191	27.7
445.63293	0.5
446.33731	1.0
473.84482	0.6
484.76309	0.6
519.36945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06388	3.5
55.62514	3.6
59.05001	4.1
67.05492	5.8
69.03419	9.6
69.07108	5.2
70.17239	15.7
72.04510	4.9
73.02911	8.3
79.05511	3.6
81.03418	5.4
81.07058	4.9
83.04961	4.2
85.02902	11.0
91.05455	3.4
93.07034	15.6
95.04955	4.4
95.08610	6.2
97.02876	7.9
98.21384	5.9
101.06036	5.3
105.07035	15.2
107.04981	4.3
107.08596	39.2
109.02864	5.1
109.06517	18.2
109.10132	12.6
119.08588	15.6
121.10151	13.7
123.08076	24.1
124.05348	3.4
127.03899	5.9
133.10159	7.5
135.08075	12.5
135.11719	18.3
137.05984	5.0
137.09631	100.0
137.10698	4.8
142.08580	4.5
147.11700	10.0
149.09612	7.3
151.07516	4.5
153.01828	16.0
153.09081	5.2
155.79645	3.8
161.13266	12.4
163.11221	5.1
165.09157	3.9
177.12700	3.8
181.12248	18.6
184.09613	4.2
189.12805	8.3
202.10858	8.0
203.11153	5.0
207.13831	31.3
225.14890	34.4
243.13417	4.4
328.13794	4.9
387.11145	5.0
472.22665	3.7
474.04138	3.5
519.10663	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
57.03442	0.2
58.06620	0.4
60.08170	7.0
65.69735	0.2
67.05506	0.8
69.07084	0.3
71.07380	3.4
79.05504	0.4
81.07047	0.6
86.09711	33.1
91.05449	0.2
93.07061	0.5
95.08613	0.4
98.21339	0.9
98.98476	3.1
104.10751	3.3
105.07063	0.2
107.08615	0.3
119.08630	0.2
125.00013	23.0
143.01073	0.2
172.34735	0.2
180.10287	0.3
184.07350	100.0
185.07719	0.3
240.71370	0.2
280.67038	0.2
405.00134	0.2
500.31277	0.7
518.32654	1.7
518.40393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01881	2.4
55.05510	1.9
57.03434	2.8
58.93219	1.6
61.02927	4.3
62.35514	1.7
67.05507	4.0
69.03436	20.8
70.37674	2.2
70.38022	5.2
71.04990	7.1
73.02911	5.2
79.05483	2.5
81.03427	22.8
81.07061	4.5
83.04978	3.6
85.02907	72.6
91.05475	4.7
93.07043	4.8
95.04964	3.0
95.08598	2.7
97.02900	42.2
99.03830	3.2
99.04459	52.9
103.03946	78.7
103.04640	3.8
105.07036	12.0
107.04958	10.0
107.08581	2.8
108.04478	4.6
109.02885	23.6
109.10129	2.1
111.04378	1.8
115.03902	3.0
117.07003	2.7
119.08578	7.7
121.10149	2.6
123.11724	1.9
125.42393	1.7
127.03918	100.0
131.08611	2.9
132.04430	1.7
133.06561	2.5
133.10124	11.4
135.08047	5.7
137.05988	16.2
143.08609	2.5
145.04967	49.4
145.10182	1.6
147.04430	2.6
147.08029	4.5
147.11726	2.4
151.03891	1.8
151.07608	2.4
153.01843	4.1
159.08002	3.1
161.05988	1.8
161.09660	11.6
163.06032	24.2
163.07555	13.2
165.09081	1.7
167.07039	3.2
175.07478	3.7
178.04999	29.1
179.07021	5.0
179.10712	2.4
187.05971	5.6
187.07561	4.6
188.03777	1.9
189.09082	3.4
191.14540	1.9
195.10165	25.8
205.08566	9.9
207.10170	29.5
219.10165	3.8
234.90833	1.9
237.11230	3.1
257.11868	1.7
261.11176	1.9
271.08133	4.8
285.11255	4.2
289.09317	2.5
303.12384	5.9
307.09988	1.9
320.67703	1.8
321.13416	1.7
351.14420	2.7
369.15308	1.7
518.18066	2.6
519.19250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
53.05670	1.2
55.01862	1.6
55.05500	3.4
57.03431	2.1
57.07044	1.3
59.05016	1.5
65.03959	1.4
65.80212	1.2
67.05513	8.1
69.03433	9.4
69.04548	1.3
69.07072	4.1
71.05004	2.2
71.05403	2.3
71.05773	2.6
73.02914	4.2
73.06541	1.4
79.05499	6.5
81.03431	12.2
81.07056	11.3
81.25717	1.4
83.04969	5.7
85.02895	6.1
85.06545	8.4
91.05492	7.7
93.07063	12.5
95.04965	4.3
95.08611	10.1
97.02913	6.2
97.06512	1.8
99.04461	3.0
100.50692	1.5
101.06010	1.6
105.07037	10.0
107.04981	2.1
107.08598	9.5
109.02898	3.8
109.06519	5.3
109.10152	7.7
111.04418	1.3
111.08074	2.9
115.04012	1.7
117.03383	1.7
119.08559	7.2
121.06525	5.7
121.10152	15.0
122.10498	1.9
123.04447	4.1
123.08076	2.5
123.11700	2.2
125.06022	1.3
125.09585	2.5
127.03908	4.7
131.08549	3.0
132.11751	1.2
133.04970	1.5
133.10127	8.0
135.08038	3.5
135.11653	1.4
137.05986	4.2
137.09621	5.8
139.07538	4.2
143.08549	2.2
145.04913	1.8
145.10103	3.1
147.04410	1.8
147.08049	2.0
147.11673	3.8
149.09634	5.8
149.13287	2.3
151.07559	2.1
151.11130	2.1
153.01842	4.4
153.09119	2.3
157.10168	1.9
159.11630	1.5
161.09627	5.2
161.13309	2.6
163.11205	2.0
165.12732	7.2
167.06987	1.2
171.11684	1.3
173.09708	1.2
177.05490	4.5
187.14828	2.6
189.09152	2.1
189.12810	1.3
193.04942	1.8
193.15881	2.8
198.11203	1.3
202.10753	2.6
205.15852	3.3
223.16934	100.0
224.17149	1.7
319.22620	1.6
337.23468	1.6
385.21674	1.4
503.30020	1.4
517.18225	3.0
517.30878	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	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42392	1.3
53.03947	5.6
57.03430	4.0
59.05002	2.7
61.02929	2.9
64.83505	1.4
65.80659	1.4
66.48931	1.3
69.03428	19.1
70.91594	1.9
70.91901	1.9
71.04983	6.7
72.14287	1.5
73.02914	5.5
79.05489	3.5
81.03418	20.1
81.07046	4.3
83.04977	2.5
85.02905	64.8
86.85459	1.6
87.04433	1.6
91.05492	5.4
93.07066	5.1
95.04996	2.3
97.02889	41.4
98.20879	2.1
98.21412	2.0
99.04453	49.8
102.65688	1.5
103.03944	73.4
103.66667	1.6
105.07038	12.5
107.04962	9.7
107.08615	3.8
108.04501	4.4
109.02881	21.7
109.06555	2.0
109.10153	3.7
115.03932	3.9
119.04937	3.0
119.08573	9.4
121.06548	1.9
121.10133	2.2
127.03920	100.0
128.04266	1.7
129.07005	3.5
131.08562	2.6
133.10138	13.7
135.08070	3.7
137.05986	6.1
145.04961	51.5
145.06209	2.9
145.10132	3.3
147.04411	3.7
147.08047	5.3
153.01772	1.7
154.02127	1.9
159.08014	2.9
161.09590	11.1
163.06032	22.0
163.07552	13.9
167.07059	3.9
167.88007	1.7
169.05013	2.4
171.07892	1.6
173.13310	2.4
175.07521	4.2
178.04982	20.3
187.06050	5.0
187.07559	2.4
188.03795	2.0
189.09120	2.5
195.10168	25.9
205.06995	1.8
205.08649	9.2
207.10170	36.0
215.10658	1.9
219.10231	4.4
237.11154	2.5
260.22324	1.6
261.11243	3.0
271.08096	6.2
285.11304	4.4
289.09164	5.4
303.12271	6.8
307.10159	4.4
317.47021	1.7
369.14975	2.2
502.54199	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2646
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
52.00356	1.5
53.35255	1.4
55.05509	2.9
57.07084	2.0
59.04987	1.5
67.05488	3.1
68.67470	1.3
68.67847	1.4
69.03429	11.0
69.07049	2.8
69.68169	9.5
70.19268	1.3
71.04986	5.9
79.05501	4.7
81.03425	2.0
81.07056	5.1
82.63512	1.6
83.04982	1.8
84.13387	1.4
85.02905	8.2
85.06560	2.5
86.09711	3.8
89.06046	1.9
91.05504	6.2
93.07053	4.2
95.04964	2.4
95.08607	3.3
97.02909	3.6
98.20833	3.5
98.21429	3.6
99.04479	1.9
99.25520	1.5
103.05464	2.0
105.07039	9.9
107.04990	2.7
107.08615	16.4
109.02876	2.7
109.06529	5.5
109.10181	5.4
111.04457	1.7
113.06042	4.5
119.08582	6.5
121.06544	1.8
121.10159	10.4
122.20856	1.5
123.08099	5.7
129.05479	2.1
131.08568	3.4
133.10146	100.0
135.08066	9.8
137.06067	1.6
137.09627	58.3
143.08424	1.6
145.10136	3.2
147.11710	5.0
149.09595	1.8
149.13269	11.4
151.07597	1.8
153.01848	3.5
159.11667	2.3
161.09673	2.1
161.13307	2.8
163.14838	2.8
167.07175	1.6
173.13274	5.5
177.05591	2.6
191.14323	48.8
191.30687	1.6
207.13834	14.0
209.15376	25.0
225.14772	1.8
260.24304	1.6
457.80649	1.6
517.22388	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	517.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05501	0.7
57.03413	0.4
65.03922	0.5
67.05491	1.0
68.48978	0.4
69.03430	1.3
69.07059	0.5
70.88691	0.8
70.89031	0.5
79.05476	1.0
81.03407	2.5
81.07063	1.8
85.02888	0.8
91.05486	7.9
93.07030	1.0
95.04944	0.3
95.08624	0.7
97.02893	0.6
98.20873	0.4
103.78870	0.4
105.07027	2.0
107.04975	0.6
107.08595	3.9
109.02871	0.6
109.06521	0.6
109.10176	1.0
114.54057	0.3
119.04945	17.1
119.08594	0.9
121.06446	0.5
121.10135	2.7
122.07318	1.2
131.08508	0.7
133.10135	17.8
135.08047	1.4
137.08635	0.8
137.09613	9.1
147.04413	100.0
147.11646	0.5
148.04750	0.8
149.13246	1.7
156.53146	0.5
163.14758	0.4
165.05502	4.7
173.13281	1.0
191.14316	5.7
194.25291	0.4
211.06557	0.4
214.56653	0.4
226.30214	0.4
291.08649	3.8
309.09714	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	517.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19148	0.4
53.03948	0.9
55.05521	1.0
55.55916	0.4
56.43199	0.4
57.07064	1.1
65.03944	1.8
67.05492	1.4
69.03426	3.7
69.07068	1.5
70.64052	0.5
70.64400	1.3
71.05011	0.8
77.65696	0.4
79.05499	2.5
81.03426	3.4
81.07071	2.9
83.04977	1.1
83.08614	0.6
85.02912	1.1
85.06551	0.8
91.05485	11.9
93.07054	5.1
95.04966	1.9
95.08617	2.6
97.02885	1.2
97.06485	0.6
98.21046	0.7
99.04449	0.5
99.08117	0.6
100.11294	0.6
103.05458	0.5
105.07046	4.3
107.04964	0.6
107.08601	3.7
109.02863	1.0
109.06537	2.2
109.10159	1.4
111.08079	0.5
115.03893	0.5
119.04955	24.5
119.08585	3.3
119.09303	0.5
121.06505	1.0
121.10155	7.2
122.07278	0.5
123.07320	0.5
123.08054	2.8
123.11713	1.4
125.34728	0.5
127.03917	1.1
131.08562	1.5
133.06456	0.9
133.10156	2.9
135.08041	1.0
135.11705	1.4
137.05986	1.3
137.09637	3.3
143.08585	0.8
145.10147	1.0
147.04422	100.0
147.11694	1.4
148.04747	1.0
149.09636	7.3
149.13275	1.0
151.07545	0.5
151.11188	4.0
153.01813	0.6
156.09349	0.9
159.08101	0.8
159.11772	0.5
161.09637	0.8
161.13232	1.2
165.05478	2.9
165.09084	0.6
165.12767	10.6
167.10692	0.5
171.11755	1.0
171.52934	0.4
173.09645	0.5
173.13303	0.7
174.10454	1.5
175.11154	0.5
189.12784	5.4
191.14322	4.5
193.15916	0.7
196.14613	0.4
207.13805	3.6
209.15381	25.6
291.08609	2.8
309.09662	2.5
401.34787	0.5
517.27777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
63.02380	0.5
65.12143	0.2
69.03436	2.8
69.22995	0.2
70.14230	0.9
71.04971	0.3
71.45598	0.2
77.03953	0.2
78.04718	0.4
81.03415	2.9
85.02912	1.0
89.03919	6.9
91.05502	0.6
92.50710	0.2
93.07043	0.3
95.04962	0.3
95.08627	0.3
97.02924	0.4
98.20992	0.5
99.04459	0.4
103.05455	0.3
104.04989	0.6
106.04167	0.7
109.02882	1.4
117.03384	20.9
122.06053	0.6
127.03931	1.4
132.04457	5.0
134.03644	1.1
135.04427	1.0
145.02849	48.8
146.03180	0.5
149.05984	6.9
158.08127	0.3
163.03908	0.8
177.05475	100.0
178.04991	66.7
179.05312	0.5
186.05493	0.9
193.62291	0.2
195.06490	0.6
261.07584	0.4
321.09726	6.3
339.10754	4.8
340.10330	2.5
373.02094	0.2
432.84793	0.3
452.54297	0.3
470.77979	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	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.05510	6.3
57.03442	5.9
65.63803	3.7
67.05502	12.7
69.03440	9.3
69.07070	9.0
70.62569	3.2
70.96402	8.2
70.96752	4.6
71.04986	4.0
77.03231	3.7
79.05473	10.3
81.03420	100.0
81.07043	12.6
83.04981	8.1
83.08617	22.0
85.02917	8.2
85.06535	5.6
91.05476	13.0
93.07055	12.1
95.04970	27.6
95.08605	6.6
97.02882	8.9
97.26495	3.9
99.04469	6.6
105.07026	32.3
106.07379	6.1
107.04984	8.5
107.08575	6.2
109.02931	8.4
109.06501	6.5
111.08089	6.1
119.08607	10.4
121.10111	5.4
126.05505	4.3
127.03918	8.6
129.07001	8.2
131.08611	7.0
133.06570	4.1
133.10129	20.1
134.10400	7.1
137.06027	6.4
137.09636	4.5
140.07123	18.8
145.10118	4.2
146.06102	4.6
147.04449	4.5
147.11674	8.5
149.09647	9.0
153.01855	12.0
157.10118	12.6
161.09709	6.7
162.10101	4.5
163.11205	6.4
175.11203	15.3
177.05455	5.1
193.12247	69.5
211.13229	8.5
229.11981	4.2
251.05530	6.6
252.05966	10.3
262.86215	3.8
267.15930	51.5
285.16977	81.9
292.96228	4.1
309.16919	13.1
313.11798	15.6
373.13931	18.6
398.54269	3.9
482.19186	9.1
514.18958	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01855	3.6
55.05515	25.4
55.32816	2.9
57.03445	26.3
57.59594	2.9
65.03927	4.6
67.05511	70.0
68.26781	3.2
69.07063	23.9
70.95321	6.4
71.04986	8.6
79.05064	3.7
79.05498	59.5
81.02977	4.5
81.03420	59.0
81.07058	81.2
83.04981	25.3
83.08621	32.1
85.02908	21.6
85.06536	7.0
91.05481	47.5
93.07047	63.1
94.99084	2.7
95.04970	25.1
95.08617	25.9
97.06544	13.1
97.10171	7.8
98.20751	3.3
98.21319	4.4
99.08069	4.5
105.07037	31.3
107.04929	6.4
107.08605	37.6
108.08990	2.6
109.06498	6.9
109.10165	14.3
111.04436	2.9
111.08084	13.0
112.66683	3.1
113.05989	2.7
113.72562	3.2
117.07007	8.7
119.08588	25.4
121.06534	3.0
121.10140	20.7
123.08074	2.9
125.09570	3.0
129.06979	10.4
131.08556	18.6
133.10143	15.1
135.11667	6.0
145.10121	8.0
147.11710	16.0
149.09604	8.1
149.13263	31.4
157.10081	15.5
158.84399	2.6
158.90178	3.0
159.11707	13.8
165.12794	2.9
168.43163	2.9
173.10805	3.3
175.11221	13.4
177.12759	7.0
193.12273	44.3
194.66249	2.7
195.13890	11.8
205.15987	3.0
211.13310	71.2
231.38588	2.7
233.15407	3.7
267.15945	28.3
269.17499	100.0
270.17831	3.3
285.16968	52.9
389.25879	3.1
461.28854	29.5
465.28796	3.1
479.30099	77.6
514.36670	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01867	3.7
55.05257	1.5
55.05513	20.5
57.03432	5.7
57.07066	2.7
65.03941	3.1
67.05505	60.1
69.03436	1.2
69.07066	17.9
70.49706	2.9
71.01356	2.6
71.04979	4.0
77.03923	1.7
79.05496	56.5
81.03409	3.6
81.07058	45.6
83.04983	8.8
83.08614	6.5
85.06540	2.4
85.85009	1.1
87.98528	1.3
88.24257	1.3
91.05482	33.0
93.07046	67.7
95.04959	7.2
95.08039	2.1
95.08609	25.5
97.06525	8.4
97.10185	8.3
98.20905	2.3
99.08054	1.4
105.04533	2.0
105.07028	18.9
107.04949	2.5
107.08589	35.3
107.09280	2.4
109.06531	1.9
109.10155	12.0
111.08080	3.0
115.05364	1.2
117.07015	9.6
119.08581	15.4
120.05370	1.1
121.06483	1.6
121.10145	19.5
123.08064	1.6
123.11716	2.1
125.09637	2.5
128.06238	1.2
129.07005	3.0
130.07782	1.7
131.08571	10.7
133.10129	11.4
135.11696	45.5
139.11095	1.3
143.08568	4.4
145.10112	14.4
147.11720	5.3
149.13293	4.9
151.11148	1.5
153.12767	3.5
155.08615	1.9
157.10143	4.2
159.11737	9.8
161.13245	3.2
163.11200	4.8
163.14838	2.2
169.10181	1.8
171.11743	3.9
173.13275	6.2
181.10410	1.1
181.12169	6.4
183.11647	2.8
185.13329	3.1
187.14838	3.2
190.32364	1.2
197.13252	1.9
199.14888	2.0
201.16269	1.3
211.14938	1.4
261.22253	6.9
314.93436	1.1
317.24789	2.5
322.69482	1.2
405.31284	2.0
423.32684	6.0
441.33707	2.3
459.34485	1.5
497.35965	2.8
515.37341	100.0
516.37769	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	513.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62413	2.7
51.57893	2.5
53.03942	6.5
53.06738	2.6
55.05284	2.7
55.05514	16.0
57.03446	22.9
57.07069	7.7
61.69135	2.4
65.03946	5.2
67.05506	44.6
69.03426	5.4
69.07074	25.5
71.08650	4.5
75.21687	2.5
79.05493	41.7
81.07055	62.4
83.04989	2.8
83.08635	4.8
85.06551	3.6
91.05488	51.8
93.07049	68.8
95.04965	7.6
95.08614	48.0
97.06559	3.8
97.10200	4.0
98.20953	18.4
105.06375	5.2
105.07035	64.3
107.08600	61.4
109.06495	8.3
109.10168	22.1
111.00835	3.8
111.08100	6.1
113.05983	3.1
117.07034	14.3
119.08573	42.2
121.10148	30.3
123.04384	7.2
123.08077	9.8
123.11720	10.2
125.09632	72.8
127.03924	32.6
129.07025	6.2
131.08574	31.4
133.10127	26.8
135.08067	5.3
135.11687	19.8
137.05984	5.9
137.09624	8.8
139.03899	40.6
139.11169	7.8
141.07048	2.6
142.07747	3.3
143.08572	12.6
145.10109	38.2
147.11696	23.1
149.09616	3.1
149.13260	11.0
151.11252	5.4
153.01836	100.0
155.03380	6.7
157.10153	17.0
159.11693	23.7
161.13280	12.0
163.03952	4.8
163.11201	10.5
163.14804	7.8
165.05487	5.3
165.12729	5.2
171.11696	14.7
173.13295	11.0
175.14816	5.8
177.12781	4.4
179.06906	3.2
179.14325	3.4
181.04971	4.5
183.11696	4.5
185.13268	10.9
187.14825	8.0
189.12711	4.5
193.08620	3.0
199.14838	7.0
201.16402	5.4
203.14291	4.0
211.14719	3.6
213.16434	4.5
215.18008	4.6
235.17030	3.0
239.18022	5.5
243.13753	3.4
257.19000	22.0
269.22665	5.1
274.92044	2.8
275.20056	6.7
283.26395	4.9
285.22070	4.0
287.23734	19.2
297.22000	3.7
313.58905	3.4
323.23801	5.0
325.25189	7.6
341.24844	16.5
343.26273	32.6
359.25793	19.0
369.24332	10.5
383.22131	18.6
387.25287	23.0
413.26724	10.7
434.33478	6.8
512.50299	7.8
513.35406	7.1
513.50897	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13459	3.2
51.24558	3.8
51.74565	3.0
55.05503	15.9
57.03433	8.4
61.02921	10.9
63.76913	3.2
67.05509	33.9
69.03405	6.0
69.07060	13.6
71.08640	3.8
73.02899	6.7
79.05501	37.3
81.03401	9.6
81.07067	40.6
83.08611	10.1
85.02906	11.9
85.90614	4.0
91.03918	3.9
91.05470	32.1
93.07043	40.7
95.04942	4.3
95.08597	27.0
97.02902	6.6
97.06526	4.9
97.10187	4.8
98.21262	19.5
105.07021	35.4
107.08617	26.7
109.10153	13.3
117.07019	6.0
119.08585	29.0
121.10151	23.6
129.07024	7.5
131.08557	17.2
133.06490	3.9
133.10138	32.2
135.11722	23.1
138.24443	3.4
142.58549	3.7
143.08557	6.8
145.10094	14.6
147.11716	22.9
149.13301	17.4
155.08539	5.4
157.10098	6.3
159.11703	10.6
161.13307	17.2
163.14807	5.3
171.11649	4.9
173.13248	14.2
175.14825	10.1
179.14339	4.8
185.13206	5.9
211.14972	4.0
219.99232	3.9
231.17549	4.2
231.21074	5.0
241.19543	20.8
259.20596	37.6
277.21579	11.2
333.24106	7.5
342.40399	4.6
349.24020	3.8
351.25299	100.0
441.26456	5.0
477.27963	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01867	5.2
55.05515	20.8
56.45796	3.1
57.03439	5.4
57.07081	22.0
67.05511	40.9
69.03423	13.7
69.07070	29.3
70.47993	9.6
71.04984	10.3
79.05510	24.6
80.06247	2.8
81.03404	10.0
81.07063	100.0
83.01334	13.5
83.04984	13.1
83.08623	18.9
85.02906	10.1
85.06553	20.8
90.38346	2.9
91.05489	26.8
93.07046	46.6
94.51128	2.8
95.04964	12.2
95.08056	4.9
95.08619	83.0
97.02900	5.8
97.06504	6.2
97.10143	9.3
98.21152	6.7
99.04431	6.2
99.08089	5.0
101.48454	2.8
105.07034	56.8
107.04965	5.6
107.08601	43.2
109.02860	8.7
109.06518	11.1
109.10168	64.1
111.04438	7.2
111.08075	5.5
113.06030	3.7
117.07035	7.2
119.08588	29.9
121.06466	6.6
121.10156	29.7
123.04430	3.8
123.08083	6.9
123.11714	29.9
125.02288	4.9
125.05971	9.1
125.09652	5.4
127.03921	9.4
129.07045	4.5
131.08563	10.0
133.06506	6.4
133.10146	41.6
135.08008	5.2
135.11728	25.6
137.06006	20.7
137.09628	5.2
137.13287	19.3
139.03899	16.9
139.07530	8.5
139.11197	3.3
141.05467	8.8
142.07845	2.8
143.08549	10.3
145.10133	11.1
147.11745	14.0
149.06041	4.5
149.09650	8.8
149.13252	19.8
151.07539	10.6
151.14868	6.0
153.01846	5.0
153.05492	19.4
153.12741	3.7
157.10155	6.1
159.08073	3.5
159.11693	10.3
161.05878	3.1
161.09656	33.4
161.13229	10.1
163.03827	5.2
163.11189	11.9
163.14799	7.3
165.05473	9.5
165.09108	4.3
167.07066	14.6
167.10629	3.6
169.04955	12.1
169.10164	5.0
171.11659	3.7
173.09641	6.9
173.13298	4.2
174.06723	3.4
175.07585	6.2
175.14801	7.3
177.05508	6.4
177.09100	6.6
177.12758	3.6
177.16385	6.7
179.07053	14.7
179.10719	10.2
181.04974	11.0
181.08592	4.0
183.06522	4.7
183.11710	3.7
185.09599	3.1
187.14844	5.1
189.09171	16.1
189.16405	7.4
191.10735	3.9
191.17934	6.1
193.08575	5.3
193.12151	6.4
195.06541	4.5
203.10677	8.9
203.17984	4.6
205.08571	8.1
205.12294	4.3
207.10202	9.5
209.11705	3.5
211.13226	4.2
217.08640	3.6
217.12350	4.1
219.10321	5.2
221.11778	4.4
231.10188	10.3
233.11632	3.8
237.11163	7.0
239.09175	5.5
249.11334	4.6
263.23651	5.4
298.05396	3.3
305.17456	4.0
351.14255	8.5
351.25186	3.9
357.23920	4.2
364.62622	3.0
372.99506	3.1
375.25089	8.0
385.23441	5.8
387.25299	3.6
403.24554	9.9
405.26541	4.1
413.30640	3.9
415.31979	6.3
423.28711	4.5
431.31619	11.3
441.29993	39.5
449.32544	6.3
459.31223	37.0
477.32065	9.8
513.19214	5.7
513.29254	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	513.285
Annotation	Seemarin
Peak:m/z	Relative Intensity
53.03955	9.1
55.01872	5.9
55.05518	26.7
57.03440	27.7
57.07082	9.3
57.49232	2.8
62.72548	3.0
65.03941	5.3
67.05508	55.4
69.03420	6.5
69.07076	19.8
70.06590	4.2
70.76227	6.5
71.04984	4.9
79.05496	54.8
81.03418	4.0
81.07064	84.4
83.05004	4.6
83.08627	10.7
85.06535	4.2
85.91418	2.9
88.07621	4.7
91.05484	85.5
93.07052	62.6
95.04978	14.6
95.08617	46.1
97.06524	6.2
98.21112	3.6
99.08093	6.6
105.07040	100.0
107.04984	3.2
107.08588	51.8
109.06528	13.3
109.10166	22.7
111.08075	7.9
113.06006	7.6
115.05492	8.9
117.07018	42.7
119.08591	63.7
120.29527	3.3
121.06502	8.9
121.10139	25.8
123.08091	29.0
123.11732	5.9
125.09647	21.4
127.03964	8.1
128.06261	4.0
129.06998	21.6
130.07776	8.5
131.05008	3.2
131.08583	65.8
133.10138	50.2
135.08075	12.3
135.11702	9.7
137.05995	12.3
137.09641	13.2
139.03882	16.7
141.06989	6.9
142.07811	6.3
143.08589	24.7
144.09364	5.5
145.10130	63.4
147.08128	4.8
147.11711	31.3
149.09630	15.6
149.13324	5.4
151.07547	4.5
153.01851	35.2
153.05470	4.9
155.05914	4.5
155.07045	53.3
155.08565	13.0
156.09360	7.0
157.10156	17.8
159.08063	4.2
159.11696	37.4
161.09671	11.6
161.13316	11.8
163.11162	4.3
165.05443	4.4
165.12766	3.7
167.07053	10.8
169.10159	14.1
171.11723	14.8
173.09671	26.4
173.13319	20.9
175.11211	19.9
175.14700	4.1
176.11990	6.3
177.12785	18.6
181.04973	49.6
183.11681	6.6
185.13261	28.3
187.11208	9.6
187.14853	15.4
189.12788	12.5
191.10643	3.6
191.14415	5.2
197.13277	9.4
199.14867	6.4
201.12727	7.1
201.16495	9.0
203.14258	16.7
211.09676	4.4
211.14856	23.9
229.15868	30.3
239.18024	9.3
241.19594	6.9
247.17007	13.7
256.26309	9.2
257.19058	12.4
259.20728	4.0
265.90021	3.4
267.17441	4.2
269.22525	3.9
275.20056	9.1
283.26385	10.3
285.18552	27.1
287.23703	6.4
297.22180	5.3
313.21655	6.0
315.23251	9.3
323.20221	4.3
331.22791	18.7
341.21082	6.4
343.26230	19.1
359.22089	17.5
359.25952	12.3
369.23956	3.7
383.22110	9.5
387.25381	10.4
476.82648	3.4
512.50470	9.5
513.35693	17.1
513.50787	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	512.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.4
65.36348	1.4
67.05487	3.0
67.11775	1.4
69.63128	10.4
70.06590	2.8
73.92852	1.5
78.04724	2.2
79.05482	3.5
81.07056	1.4
85.02896	2.7
91.05476	13.4
93.03410	2.8
93.07052	3.8
95.04957	4.6
98.20741	2.8
98.21349	4.4
103.05463	12.7
105.07030	6.8
106.04183	8.6
107.04955	25.9
115.05452	4.5
117.07000	1.7
118.04160	1.7
119.04904	4.6
120.05676	1.7
121.06525	14.1
121.10110	2.1
122.03580	2.0
123.04422	3.6
125.06045	2.7
129.07002	5.8
130.64670	1.4
131.04918	10.2
131.08554	3.8
132.05698	4.4
133.06451	3.7
135.04359	1.6
135.08095	3.7
137.05975	7.0
146.07268	5.2
147.08110	1.6
148.05176	7.1
149.05962	11.9
149.09471	1.7
149.75058	1.5
151.07561	5.7
152.04587	1.4
153.01851	4.8
153.05396	2.4
153.09125	2.6
157.06512	1.6
159.07962	1.6
160.05182	2.4
161.05986	100.0
161.09602	21.9
163.06239	3.0
163.07527	24.0
165.05452	1.9
165.09235	1.8
166.06308	2.0
167.07054	36.9
174.06737	4.7
175.07555	6.3
177.05484	8.9
180.07785	6.8
181.08595	24.2
188.63258	1.7
189.07384	2.7
189.09109	52.7
191.07021	15.6
192.07787	9.2
193.08603	1.8
201.09085	2.5
207.10168	99.8
209.08109	26.0
219.10179	4.5
223.04216	7.3
225.09142	1.9
253.08597	1.7
285.11264	3.5
304.92429	1.7
315.12329	3.4
317.13882	5.4
329.13620	2.5
341.13907	4.7
343.15521	7.8
361.16437	21.3
373.16476	6.0
399.11673	1.6
476.85043	1.7
512.18884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58292	0.7
53.03935	1.2
55.01860	1.2
55.05494	1.0
57.03424	1.7
59.04995	1.9
61.02912	2.5
67.05505	0.8
69.03434	6.3
69.07055	1.0
69.34932	2.5
69.35362	3.2
70.06573	1.1
71.04993	11.6
73.02908	1.6
73.06566	3.5
79.05486	3.9
79.47610	0.7
81.03418	2.4
81.07053	13.9
85.02906	37.7
87.04478	0.9
91.03947	1.6
91.05470	1.4
93.07046	9.4
95.05005	0.8
95.08611	1.6
97.02885	8.3
97.06507	1.0
98.21235	2.8
99.04446	1.6
105.07040	1.7
107.08591	6.1
109.02912	3.7
109.10162	1.9
127.03909	10.7
135.11694	15.2
145.04956	20.5
147.96468	0.8
153.01767	1.2
153.12746	100.0
163.06030	9.7
229.11784	0.9
293.08179	0.7
325.11292	1.7
353.89606	0.8
408.93472	0.9
512.20209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62513	2.5
53.03960	6.3
53.68682	2.6
55.05516	33.7
57.03435	4.1
57.06825	4.2
57.07077	57.8
59.04989	2.8
67.05508	29.2
69.03428	8.6
69.07068	37.6
71.04996	8.4
71.08620	6.3
71.57234	3.2
73.06560	2.8
79.05495	27.3
81.03391	3.4
81.07059	59.7
83.04985	24.2
83.08613	25.7
85.06081	3.5
85.06547	41.1
91.05479	22.7
93.07042	44.0
95.04953	9.1
95.08609	46.4
97.06528	9.9
97.10173	11.1
105.07034	34.5
107.04946	6.8
107.08595	38.3
109.06531	25.4
109.10168	39.7
111.08068	5.8
111.81969	2.9
117.07020	11.7
119.08582	32.1
121.06537	4.3
121.10138	32.1
123.04496	3.5
123.08043	7.9
123.11700	24.1
125.05161	4.2
125.05994	49.1
125.09586	5.0
127.03889	3.8
127.11219	3.1
129.06992	4.3
131.08575	20.9
133.06450	6.4
133.10126	29.0
135.08066	7.0
135.11676	22.9
137.09619	5.3
137.13248	7.6
139.03816	2.9
139.07547	5.4
139.11186	3.8
143.08574	6.9
145.10130	11.9
147.08049	7.4
147.11690	19.6
149.05960	4.7
149.09610	23.5
149.13298	15.3
151.07510	7.7
151.11226	5.4
151.14740	4.9
153.01759	6.8
153.05473	19.7
153.09125	5.1
153.12859	2.7
155.08543	3.7
157.10130	8.5
159.08054	3.4
159.11693	12.9
161.09639	19.6
161.13272	7.5
163.07494	15.2
163.11168	16.7
165.09076	14.7
167.07030	3.2
167.10712	2.8
171.11700	7.2
173.13246	11.0
175.07640	5.3
175.11218	13.6
175.14761	6.3
176.08324	3.8
177.09111	100.0
177.12737	4.9
178.09869	8.5
179.10655	17.7
185.13159	3.2
187.07513	3.2
187.11185	4.8
187.14819	5.4
189.09143	6.3
189.12773	4.9
189.16365	3.9
190.77887	3.0
191.10730	14.5
193.08615	5.1
193.12228	6.7
193.15750	3.0
195.08499	2.9
195.10155	5.0
199.14896	4.2
201.12617	4.1
203.10611	7.0
205.12236	4.6
207.10139	9.0
209.11719	11.6
213.12646	4.0
215.14174	4.3
217.12227	6.8
219.13766	4.5
221.15370	4.3
227.14302	3.1
231.13739	4.3
245.15367	6.6
253.10817	4.2
257.18921	3.8
259.16965	3.3
273.18668	5.5
280.03561	2.8
287.23676	5.2
303.23343	15.0
305.17725	3.7
305.24750	7.0
311.23749	3.9
315.23227	5.3
319.82919	2.9
327.23032	4.3
329.24759	12.5
331.22562	10.0
333.24246	16.1
345.24176	7.5
347.25873	49.0
357.24072	14.9
361.27243	5.5
371.29553	6.2
373.23621	11.2
375.25311	35.0
386.28165	8.5
387.28778	3.8
389.30212	3.4
391.24792	21.8
393.26617	3.3
403.31958	9.4
413.30426	12.1
421.32983	9.7
429.29822	11.3
431.31631	66.7
457.29153	4.1
475.30576	4.6
493.31393	3.9
496.06668	3.5
511.33820	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	512.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64830	1.0
67.02868	0.8
69.03435	4.6
69.76518	2.0
69.76925	4.1
74.56259	0.9
77.59979	0.9
79.01826	1.6
81.03417	7.1
85.02926	4.6
97.02895	7.2
98.21315	2.4
98.44011	0.9
98.97569	1.1
99.04446	1.7
109.02862	5.5
120.08091	1.4
125.02369	2.0
127.03924	8.6
133.53185	0.8
136.41739	0.8
143.03365	3.7
145.04958	2.0
153.01831	100.0
153.05435	2.2
160.48479	0.9
166.08595	1.2
171.02887	13.0
171.06654	1.0
179.44510	0.9
199.06322	3.1
204.04088	0.9
217.85902	0.9
277.03296	1.1
297.05988	10.0
303.01315	3.8
308.69983	1.0
315.07074	29.7
328.64651	0.9
441.73468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
52.21666	0.4
53.03954	0.7
57.03459	0.4
58.68673	0.4
61.02934	0.7
63.98064	0.4
69.03429	1.3
70.28971	0.4
71.56606	0.5
79.01871	3.7
79.05499	0.7
81.03429	3.9
81.07095	0.8
85.02900	2.0
91.05476	1.7
93.07049	2.9
95.08622	0.9
97.02896	4.2
105.07038	3.7
107.01337	1.5
107.08600	13.7
109.02874	3.3
109.10175	0.6
109.34430	0.4
119.08605	2.8
121.10169	2.6
123.11686	0.7
125.02391	3.2
125.40498	0.4
127.03937	5.4
133.10138	8.7
135.11716	0.4
137.05986	3.0
137.09578	0.6
139.07590	0.8
143.03424	6.1
143.08223	0.5
145.05002	0.7
149.09660	2.2
151.07512	0.6
151.11192	3.4
153.01839	100.0
153.02795	4.3
154.02153	0.5
161.05991	0.5
161.09641	2.6
167.07047	2.3
167.10669	6.9
171.02901	9.1
178.05119	0.4
179.10674	7.4
197.11742	56.6
198.12099	0.7
202.71291	0.4
249.11441	0.5
269.06454	0.4
297.06067	4.7
315.07056	8.6
359.16953	0.7
475.30853	0.7
493.17380	0.6
511.20856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.0
53.03940	8.7
55.01873	37.8
55.05515	58.5
57.03438	21.5
57.07075	12.3
59.04980	2.3
65.03931	5.3
67.05506	83.7
67.88931	1.9
69.03434	16.1
69.07072	26.7
70.63481	5.9
71.01360	2.1
71.04988	6.7
73.02914	6.3
79.05493	80.4
81.03420	100.0
81.07060	74.1
82.03783	2.0
82.04205	11.6
83.01343	2.2
83.04986	40.9
83.08618	39.2
84.05760	3.3
85.02414	3.1
85.02906	39.7
85.06541	6.8
91.05484	82.2
93.07050	46.1
95.04974	55.4
95.05524	1.5
95.08611	29.6
97.02888	11.1
97.06527	17.4
97.10165	15.2
98.07310	10.8
98.21208	3.2
99.04483	2.5
101.06083	2.3
103.05457	2.4
105.07034	47.5
107.04969	17.9
107.08596	24.7
108.05762	3.0
109.02911	2.6
109.06512	9.0
109.10139	17.4
111.04460	10.2
111.08081	23.8
113.06014	5.6
115.05494	4.8
116.04724	3.9
117.07027	8.0
119.08582	42.0
119.91264	1.8
121.06507	6.9
121.10149	22.0
123.08076	14.5
123.11694	4.9
125.09646	17.5
127.11201	5.8
128.06209	4.0
129.05495	4.2
129.07002	18.3
131.08566	20.5
133.06532	5.6
133.10133	24.5
135.08031	5.0
135.11703	8.3
137.05991	3.5
137.09631	7.6
139.07506	2.3
142.07843	4.8
145.10162	9.7
147.08076	7.1
147.11699	31.5
149.09616	13.1
151.11186	2.4
153.09166	2.9
153.12779	3.4
155.10564	3.1
157.10147	23.6
158.05759	11.1
159.11696	2.2
163.11134	9.9
165.12782	5.8
167.06973	3.2
171.06525	16.4
173.09686	2.7
173.11749	2.3
175.11188	26.2
181.12251	6.2
185.08098	5.9
189.11305	2.2
191.10678	3.7
193.12247	79.8
199.09660	6.6
199.13313	7.3
201.14914	3.8
209.11707	13.1
210.12608	2.9
211.13300	86.1
213.11211	2.1
227.12823	16.7
229.14413	2.7
241.14381	2.3
242.15262	3.8
249.14944	2.7
255.12201	2.3
255.15915	12.2
265.14362	2.8
267.15851	12.7
269.17633	3.4
283.15454	9.3
283.18768	2.6
285.16956	10.7
311.18542	6.5
311.22009	4.4
325.20117	2.6
325.23740	3.3
326.24564	4.1
339.18063	15.7
339.21796	4.7
353.19516	3.2
367.21094	5.5
382.27124	3.9
409.26105	4.4
439.26901	4.2
465.28342	2.5
475.26920	3.5
493.27856	11.1
494.28781	8.5
511.29050	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.7
54.62432	2.4
55.01870	18.9
55.05515	23.9
57.03438	13.4
61.02644	2.5
61.02928	31.5
61.69714	2.6
65.03928	2.9
66.48830	2.8
67.05503	45.3
69.03429	20.1
69.07070	37.0
69.38879	2.7
71.04984	10.7
71.56752	4.4
73.02917	13.4
73.86162	2.7
79.05498	44.6
81.03419	30.7
81.07060	66.4
81.49918	3.0
83.04980	15.0
83.08609	12.6
85.02907	36.4
85.06516	5.2
91.03961	12.4
91.04961	5.8
91.05488	63.2
93.07043	40.4
95.01329	11.2
95.04978	15.8
95.08607	32.1
97.02892	24.6
97.06525	26.4
97.10186	10.1
99.04439	5.9
101.02383	7.8
103.03934	3.1
103.82449	3.0
105.07034	82.5
107.04959	20.2
107.08617	23.7
109.02887	8.5
109.06513	2.7
109.10202	13.0
111.08083	5.0
117.07021	15.6
119.08580	43.8
121.06521	4.8
121.10158	17.0
123.08054	6.2
123.11726	4.8
125.09627	6.1
127.03918	7.8
129.05472	5.3
129.07007	6.4
131.08582	32.1
133.10129	49.4
135.08099	4.2
135.11728	9.7
137.05954	3.2
137.09677	3.0
141.07028	5.3
143.08533	8.0
145.06494	3.1
145.10129	21.9
147.08038	5.4
147.11705	20.7
149.09624	9.0
149.13252	6.6
151.11200	4.4
155.08450	3.2
157.08766	3.5
157.10124	9.2
159.11745	13.4
161.13206	6.8
163.11107	5.1
165.09076	3.8
171.11662	4.2
173.09663	3.9
173.13289	6.7
175.11177	6.0
177.12741	5.4
179.14285	21.3
183.06508	3.1
183.11760	3.8
193.12268	7.4
197.13339	3.4
211.13370	6.3
219.13701	3.9
225.10873	3.4
227.13025	3.4
229.19507	3.1
239.17868	4.1
247.20706	3.2
257.19000	8.8
275.20041	100.0
276.20422	3.5
279.16049	3.5
293.21204	3.3
349.23770	33.4
493.27740	4.3
511.27887	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	511.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.4
55.05513	31.0
57.07076	58.4
67.05505	39.3
69.03438	5.5
69.07074	34.9
69.92180	23.6
71.04993	10.9
74.26720	4.3
79.05502	34.2
81.07061	63.9
83.04972	24.4
83.08636	26.1
85.06556	44.7
88.21088	4.9
91.05479	27.9
93.07047	58.5
95.04952	4.6
95.08599	64.0
97.06544	10.8
97.10133	11.7
98.21162	14.8
100.20454	4.8
101.18577	5.3
105.07024	39.7
107.04959	11.3
107.08608	48.2
109.06535	25.3
109.10163	41.3
111.04498	7.0
111.08015	4.9
117.07026	14.4
119.08579	38.5
121.06510	8.7
121.10148	38.9
122.06802	5.0
123.08053	8.1
123.11702	20.4
125.06007	43.5
129.71306	4.9
131.08594	29.4
133.10143	35.0
135.08070	13.9
135.11716	22.3
137.06013	7.2
137.13264	13.9
139.03871	12.4
139.07614	7.7
141.12759	4.3
143.08533	14.5
145.10143	26.1
147.08099	6.8
147.11713	16.5
149.09610	28.0
149.13254	13.8
151.11157	8.5
153.01831	19.2
153.05460	18.6
157.10179	8.2
159.08069	8.7
159.11696	17.4
161.09610	16.1
161.13155	5.7
163.07613	15.3
163.11201	16.8
165.09134	10.0
169.10110	7.2
173.09525	5.6
173.13220	7.5
175.07520	6.5
175.11226	12.0
175.14835	12.9
177.09109	100.0
177.12688	6.7
178.09880	8.5
179.10637	17.6
183.11754	5.8
184.36757	4.8
184.38437	4.7
185.13197	7.9
187.11230	6.6
189.09096	9.6
191.10657	18.0
199.11171	5.3
199.14999	5.2
201.12750	6.5
203.10704	7.0
207.10146	6.2
209.11772	13.1
215.18015	6.4
231.13858	6.3
247.16913	5.5
253.10716	6.1
287.23608	5.7
302.22394	6.0
303.23117	23.0
305.24680	8.0
310.81372	4.9
329.24945	8.5
331.22623	10.3
333.24200	16.0
345.24191	8.9
347.25787	50.2
347.96426	5.6
357.24240	12.4
373.23837	9.6
375.25314	41.6
383.22202	14.8
385.31253	6.9
386.28049	15.3
389.30978	5.9
391.24930	22.7
403.31747	8.6
410.23874	5.2
413.30542	16.9
429.30136	8.2
431.31607	73.7
511.34201	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	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.5
55.37664	7.0
57.07069	10.4
64.31668	6.7
67.05501	29.6
69.03416	9.2
69.07076	54.5
71.08178	11.0
71.08581	11.5
79.05486	17.4
81.03452	7.1
81.07063	100.0
83.05006	11.6
83.08626	50.0
85.06559	12.9
91.05491	13.8
93.07043	28.3
95.04961	13.2
95.08616	83.6
97.10177	27.2
99.08086	7.1
100.11275	12.7
105.07033	14.4
107.08597	30.6
109.10179	60.2
111.11736	19.2
116.37687	6.6
121.10171	17.5
123.11737	36.9
125.09675	9.4
125.13326	9.0
135.08087	7.7
135.11685	16.9
137.13255	23.2
147.11606	7.1
149.12164	6.7
149.13264	18.8
151.14841	9.8
163.14854	10.6
167.14368	11.9
178.04945	8.4
182.15472	8.7
198.23375	7.2
242.00905	7.2
275.27393	15.8
281.28482	12.0
293.28369	42.5
349.16379	7.2
375.78983	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	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01866	3.3
55.05502	1.7
57.03437	5.8
57.07066	1.6
59.05000	12.5
61.02933	7.3
67.05517	5.0
69.03429	17.5
69.07059	1.4
69.91856	4.0
69.92210	1.4
71.04993	17.3
73.02910	3.4
79.05485	8.7
81.03415	8.0
81.07057	27.6
83.04955	1.5
83.08607	1.0
85.02905	83.0
87.04479	1.9
91.03973	3.0
91.05474	5.0
93.07043	15.7
95.04965	3.1
95.08605	3.8
96.08237	0.8
97.02889	20.7
97.12368	1.0
98.20833	1.8
98.21387	1.2
99.04450	3.8
103.03971	1.7
105.07023	5.6
107.08595	14.5
109.02872	8.5
109.06523	9.8
109.10155	24.2
111.08083	8.6
121.10162	2.2
123.08064	2.8
123.10809	2.0
123.11710	36.6
127.03918	19.0
128.71849	0.9
131.08510	1.1
133.10138	16.9
135.11723	1.3
137.09543	0.8
145.03777	0.9
145.03979	0.5
145.04955	26.7
151.11185	100.0
152.11562	1.1
153.01836	3.2
153.12721	2.3
163.06024	11.1
169.10809	2.1
169.12245	31.7
277.14487	1.4
289.09348	1.5
295.15448	3.5
313.16434	5.3
325.11325	4.9
331.17493	10.0
338.03796	1.0
386.09134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3649
Annotation	Chrysosporide
Peak:m/z	Relative Intensity
55.05505	3.2
57.03452	2.0
57.06822	1.6
57.07076	20.1
58.06615	1.8
60.07917	1.4
60.08172	15.8
67.05508	6.5
69.07055	3.6
71.07375	7.1
71.08633	12.7
71.57536	1.7
79.05435	1.2
81.07067	9.3
83.08613	5.0
83.36139	1.1
85.10184	8.2
85.81750	1.2
86.09708	47.9
87.67939	1.2
91.05472	1.6
93.07035	1.6
95.08609	13.2
97.10159	2.6
98.98450	3.0
104.10747	99.5
109.10162	6.3
121.03105	1.4
123.08057	1.4
123.11703	3.7
125.00010	28.1
167.06940	2.1
184.07347	100.0
231.87648	1.4
239.23695	11.0
258.11075	1.9
313.27377	41.1
314.27927	1.3
327.28812	2.4
331.28433	4.7
370.85782	1.3
460.89240	1.3
464.82211	1.4
492.34552	10.4
510.35553	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1814
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
50.57679	0.5
53.03934	1.6
67.05494	1.3
69.03416	2.9
71.56591	0.9
72.51918	0.6
79.01871	3.0
79.05492	1.7
81.03428	5.8
81.07050	2.7
85.02904	6.0
91.05466	2.3
93.07040	1.7
94.07400	0.6
95.04993	0.9
95.08627	1.3
97.02899	5.8
97.06515	0.6
99.04457	1.3
105.00140	0.8
105.07023	1.8
107.01308	2.2
107.04967	1.1
107.08590	8.5
109.02882	6.1
109.06528	0.9
109.10160	1.8
113.03497	0.8
121.06500	1.0
121.10177	0.7
123.08075	0.6
123.11711	1.8
124.12063	0.8
125.02351	3.9
127.03934	8.0
128.04254	0.6
133.10143	5.1
135.04420	1.1
135.11702	3.1
135.61987	0.7
137.05994	1.0
143.03383	5.8
145.04947	1.9
147.04408	0.8
147.11649	0.6
149.09695	0.6
151.11205	3.6
152.11548	2.1
153.01834	100.0
153.12654	0.8
161.09602	2.1
163.05988	0.8
167.07039	2.3
169.12216	1.4
171.02893	11.1
171.04242	1.0
178.05003	0.7
178.26985	0.6
179.10695	4.8
183.06862	1.1
191.03720	0.9
197.11740	16.7
205.79964	0.7
227.40999	0.6
297.06122	4.7
315.07071	8.8
520.01459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58462	4.3
53.03938	6.0
55.01883	5.8
55.05511	34.1
55.69575	4.4
57.03443	9.2
57.07067	17.4
65.03934	5.6
67.05506	55.8
69.03429	15.6
69.07066	45.4
70.64256	11.9
71.04993	9.4
79.05505	50.9
81.03421	30.0
81.07063	100.0
83.04997	26.2
83.08633	35.7
85.02912	20.9
85.06544	15.2
91.05499	42.2
92.00035	5.0
93.07047	59.1
95.04974	34.8
95.08606	80.9
97.02909	8.8
97.06535	11.0
97.10172	18.0
98.21156	8.2
99.08083	7.2
102.50047	4.5
104.72218	4.6
105.07046	42.8
107.04936	20.9
107.08596	46.2
109.02923	8.1
109.06524	16.8
109.10153	57.5
111.04448	6.2
111.08078	12.6
111.11736	8.1
117.07037	11.3
119.08598	22.8
121.06518	14.9
121.10155	25.8
123.08068	6.0
123.11721	30.4
125.05967	5.9
125.09612	8.2
127.74593	5.3
128.06197	5.2
129.07034	6.9
131.08566	13.7
133.06477	5.4
133.10110	31.0
135.08064	15.6
135.11708	17.7
137.13254	22.7
139.07513	5.1
143.08591	9.5
144.82881	5.3
145.10103	11.4
147.11729	5.6
149.09641	10.4
149.13281	13.0
151.11182	10.1
151.14851	9.1
153.01823	9.3
153.12756	6.5
155.14328	11.8
157.10081	6.0
161.09641	12.7
163.11214	21.6
167.06946	6.2
173.09723	6.3
175.11160	7.4
179.10654	8.0
181.12231	6.5
187.11255	7.0
189.09151	6.0
189.12708	6.7
191.10698	8.8
191.14388	4.8
193.12263	22.8
197.04507	9.9
207.10191	8.7
209.11784	16.4
211.13330	28.8
219.13730	10.0
219.90956	5.1
275.27240	10.6
293.17325	6.6
293.28369	27.8
385.23499	5.2
454.55161	4.9
485.47751	5.4
509.27402	35.9
539.72870	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	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85742	2.0
52.59742	2.0
53.03938	8.9
55.01869	9.4
55.05262	2.5
55.05517	45.6
57.03447	15.8
57.07073	3.2
59.04996	4.7
61.14229	2.0
61.30752	2.0
64.01849	2.3
65.03934	4.0
65.83801	1.9
67.05173	4.3
67.05510	64.6
69.03441	12.4
69.07072	23.2
70.69734	2.8
70.70065	5.0
71.01344	5.1
71.04994	13.1
76.70473	2.4
78.59711	2.0
79.05051	3.9
79.05495	59.2
81.03420	67.6
81.07061	79.4
83.04999	20.5
83.08624	41.3
85.02915	31.8
85.06535	7.6
91.05485	73.9
91.06073	3.0
93.07056	45.1
94.04200	3.8
95.04978	37.4
95.08042	3.0
95.08609	33.4
97.02889	9.5
97.06538	10.3
97.10186	11.3
98.21104	3.3
99.00813	10.0
99.08088	3.4
103.05475	3.4
105.04509	2.1
105.07038	56.1
107.04974	15.7
107.08602	38.7
107.72547	2.3
109.02894	8.9
109.06532	18.2
109.10166	38.8
111.04432	7.2
111.08076	15.3
111.11729	3.4
113.06006	7.3
115.03938	2.9
115.05437	6.0
117.07021	11.5
119.04948	4.4
119.08595	31.2
121.06519	15.2
121.10143	18.9
122.03660	6.0
123.04413	4.0
123.08082	12.9
123.11706	16.9
124.08040	2.2
125.09591	10.1
127.03925	4.2
128.06212	4.3
129.07021	15.0
131.04906	2.9
131.08578	16.5
133.06499	8.2
133.09111	3.2
133.10138	62.4
135.08058	9.4
135.11697	9.1
137.05984	79.0
137.07057	4.3
137.09570	3.8
137.13232	4.1
139.07497	4.7
142.07796	2.5
143.08603	7.1
145.06506	3.1
145.10112	6.0
146.28386	2.3
147.08092	2.8
147.11691	19.4
149.05991	4.0
149.09631	9.7
149.13306	6.5
150.68896	2.2
151.03914	4.2
151.07549	38.0
151.08662	3.8
151.11198	23.0
157.06483	2.2
157.10092	11.1
159.11691	3.4
161.05994	17.2
161.09599	13.7
163.07527	4.3
163.11171	5.9
165.07097	3.1
165.09094	3.6
165.12723	4.2
167.07082	2.9
167.10620	2.8
169.12262	4.5
171.08031	3.8
173.13284	2.7
175.07574	6.0
175.11182	15.0
177.09161	6.8
178.05154	2.5
179.10666	11.0
181.06613	3.0
181.12129	2.6
182.07042	2.8
187.07523	2.4
189.09116	14.9
191.10513	2.6
191.14311	2.4
193.12248	63.2
195.10144	15.5
197.04509	2.7
197.11691	5.3
199.13292	2.8
203.10612	2.8
207.08263	3.3
207.10162	8.2
209.11714	4.9
211.13306	69.6
219.13800	3.6
223.13330	2.9
225.09325	2.7
225.11206	12.9
233.06000	2.7
234.06822	3.3
235.07533	2.7
237.09094	5.7
243.12305	3.7
253.08517	4.3
265.08578	9.9
267.16003	4.9
273.14780	2.8
277.08560	5.0
281.13934	3.8
283.09637	4.4
285.11234	8.0
289.46194	2.3
293.17590	3.3
293.28387	4.0
297.11319	10.6
299.15109	4.8
309.11264	3.8
311.12827	10.7
314.82632	2.8
317.13889	4.1
337.14197	3.0
343.15393	4.0
367.22415	4.2
373.23761	4.3
459.27100	2.8
473.25006	3.0
479.20691	4.9
509.27444	100.0
509.35004	5.1
510.27762	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	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01858	9.5
55.05289	3.6
55.05513	33.9
57.03426	8.0
57.07061	13.4
59.04980	3.6
61.92170	2.6
67.05506	46.0
67.44278	2.9
69.03414	8.0
69.07072	46.2
70.10676	11.9
71.05006	5.9
71.88543	2.8
77.68267	3.7
78.73666	3.2
79.05109	4.0
79.05495	36.8
81.03403	12.9
81.07059	100.0
83.04970	9.0
83.08608	28.9
84.33971	4.0
85.02903	11.6
85.06547	19.3
91.05465	24.0
93.07046	48.6
95.04971	26.6
95.08606	65.0
97.06519	6.7
97.10165	19.5
98.21361	3.7
99.08087	6.6
105.07035	19.9
107.04942	13.7
107.08594	30.2
109.06528	21.5
109.10149	38.0
111.08057	8.4
111.11714	10.2
117.07010	9.2
119.08570	14.6
121.06498	12.7
121.10136	32.0
123.08072	6.8
123.11710	21.9
125.09623	12.0
125.13222	3.6
127.03841	3.2
129.07054	6.7
131.08565	12.8
133.06517	5.6
133.10144	18.4
135.08057	8.8
135.11671	12.3
137.13258	24.6
139.11122	3.2
141.12587	4.2
143.08609	3.4
145.06436	5.7
145.10133	10.0
147.08012	5.9
147.11693	6.1
149.09604	6.6
149.13254	15.7
151.11162	3.3
151.14867	6.4
153.12778	4.4
155.14320	18.1
156.13837	5.0
159.08084	5.8
159.11713	7.8
163.11159	12.0
163.14824	7.7
165.09125	5.8
167.10658	7.9
167.14368	5.4
173.13246	5.3
175.11153	4.7
179.10710	4.2
181.12314	4.4
182.15482	4.1
189.11263	4.4
191.14342	6.7
193.08603	10.2
193.12241	6.1
193.19550	3.2
194.08847	3.8
197.04390	3.9
199.13266	8.4
205.12280	4.1
209.11653	4.4
211.13194	3.7
219.13806	11.9
219.21007	3.9
227.12610	6.3
237.14764	4.1
273.17184	7.2
275.27512	7.4
281.28455	10.2
293.17545	9.5
293.28372	32.3
311.29474	8.5
324.98282	3.4
328.52710	3.4
334.37143	3.3
349.21725	6.5
367.22778	15.3
385.24088	6.7
429.30502	3.8
459.27164	10.0
477.28598	4.8
491.29684	8.5
509.27292	10.4
518.08447	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.4
55.01879	71.0
55.05517	67.3
56.63597	2.6
57.03445	20.0
57.07085	15.2
59.04983	11.1
65.03930	6.4
67.05511	79.7
68.02637	3.8
69.03435	13.4
69.07068	25.3
71.01354	4.5
71.05003	14.9
73.02896	6.0
77.03881	2.4
79.05495	100.0
80.06257	2.6
81.03429	44.9
81.07060	77.4
82.04210	12.7
83.01357	12.6
83.04544	3.8
83.04987	54.1
83.08628	30.1
84.02119	3.1
85.02898	8.7
85.06530	6.1
91.04970	4.3
91.05489	71.0
93.06468	4.6
93.07052	81.4
94.04169	3.0
94.07840	4.4
95.04983	48.6
95.08145	2.8
95.08623	30.9
95.66428	2.9
96.05753	4.0
96.09335	2.7
97.02351	2.5
97.02884	14.2
97.06543	22.6
97.10179	15.6
98.07315	20.2
98.20795	7.9
98.21461	5.0
99.04445	4.5
105.04518	2.9
105.07040	40.0
107.04962	23.5
107.08603	49.7
109.06528	28.9
109.10163	15.6
111.04439	11.5
111.08072	11.0
113.06014	3.8
115.03952	3.1
115.05459	3.2
116.04725	4.3
117.05551	3.5
117.07037	22.9
119.08589	37.7
120.09301	2.8
121.06479	8.4
121.10150	31.3
123.04403	3.3
123.08096	25.0
125.05989	9.9
125.09653	25.2
127.11215	5.6
129.05507	4.6
129.06998	11.8
130.07762	5.7
131.08566	15.2
133.06450	3.1
133.10135	19.5
135.08052	9.1
135.11702	33.1
137.05936	2.8
137.09566	7.8
139.07466	4.1
139.11183	3.0
143.08549	5.1
145.10120	36.9
147.08052	4.5
147.11723	15.4
149.05951	3.8
149.09642	10.4
151.07603	4.6
151.11229	3.9
153.09102	4.6
153.12747	12.2
155.08473	2.8
157.10133	5.7
158.05782	12.9
159.11697	4.5
161.09613	3.2
163.09837	4.2
163.11209	69.0
165.09113	4.2
166.42331	2.7
167.07101	2.9
171.06572	15.0
173.09596	8.1
175.11209	4.5
181.12218	10.8
184.07268	3.2
185.08055	5.6
190.04689	3.0
191.10689	9.3
193.12271	6.5
199.09634	4.0
199.13194	5.5
201.14873	11.7
209.11731	21.8
210.12517	6.0
211.13258	3.9
213.11287	3.1
225.11229	4.1
227.12849	19.0
255.15909	10.9
265.14429	2.8
275.43298	3.4
283.15369	13.7
295.15494	5.0
311.22308	6.0
321.16943	3.9
337.16452	26.1
351.17798	5.7
365.19553	18.6
379.20819	3.8
379.25122	4.1
408.25046	8.8
463.26755	6.3
468.39099	3.2
491.26230	4.3
492.26868	4.8
509.27438	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.9
55.01872	51.3
55.05268	5.3
55.05512	74.5
57.03435	17.0
57.07076	18.7
59.05002	6.2
65.03928	6.6
67.05507	93.3
69.03425	20.4
69.07062	32.3
70.89377	8.2
71.01331	4.6
71.04990	12.4
73.02899	6.3
79.05054	5.9
79.05493	100.0
81.03413	49.4
81.07056	77.4
82.04176	11.2
83.01325	12.4
83.04981	43.2
83.08622	25.5
85.02882	12.8
85.06535	7.2
91.05476	73.7
91.09216	3.7
93.07046	66.4
95.04967	49.2
95.08612	44.7
97.02873	9.3
97.06522	21.9
97.10175	22.7
98.07301	8.5
98.21288	4.0
99.08073	4.7
105.07034	31.7
107.04964	28.4
107.08601	42.9
109.02839	4.5
109.06532	22.5
109.10168	30.4
111.04421	12.8
111.08031	11.2
117.07004	23.7
119.08593	28.9
121.06503	13.6
121.10136	27.7
123.04446	5.7
123.08045	23.7
123.11725	7.4
125.05975	7.3
125.09615	26.9
129.07002	9.0
131.08586	20.3
131.09381	3.8
131.40881	3.3
133.06528	4.1
133.10173	16.8
135.08052	10.5
135.11685	33.4
137.09624	8.5
139.07536	4.0
143.08549	5.7
145.10117	30.2
147.08090	9.0
147.11659	11.6
149.09579	10.3
151.07585	4.8
151.11185	7.4
153.05435	5.1
153.09172	4.4
153.12723	10.7
155.08598	6.8
157.10156	8.5
158.05692	8.3
163.11189	49.5
165.09172	4.1
167.10689	4.1
171.06511	10.2
173.09618	10.6
175.11198	8.9
181.12234	10.8
184.07362	3.9
186.01637	3.7
191.10640	12.5
193.12311	4.7
199.09586	5.2
201.14905	6.7
209.11740	51.5
210.12395	4.8
219.13641	4.4
227.12729	28.2
247.13257	4.4
253.14191	3.4
255.15895	4.7
269.17517	4.5
283.15433	17.0
337.16373	7.6
365.19617	9.4
379.25031	5.7
437.25351	7.6
463.27023	4.9
491.26019	6.4
509.27277	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	509.2749
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.64189	2.5
51.77437	2.5
53.00296	2.8
53.03939	8.7
55.01860	10.4
55.05268	2.5
55.05514	34.0
57.03421	8.6
57.07053	5.0
59.04995	6.6
59.94758	2.4
65.03918	3.1
67.05507	49.9
69.03436	15.6
69.07064	18.6
71.01328	4.3
71.04977	8.7
71.58012	3.5
79.05500	46.5
81.02980	4.5
81.03425	63.7
81.07059	63.8
83.04993	14.9
83.08626	33.9
85.02897	28.6
85.06551	7.4
91.05485	64.9
93.07054	47.0
95.04977	37.8
95.08604	29.7
97.02879	6.3
97.06532	9.5
97.10153	9.6
99.00808	11.6
99.04437	4.4
99.08049	2.9
103.05447	5.7
105.07044	45.8
107.04943	15.0
107.08581	24.1
109.02860	8.7
109.06519	14.9
109.10149	25.1
111.04459	4.3
111.08095	13.3
115.03912	3.9
117.06998	9.3
119.04908	2.4
119.08588	35.7
121.06490	11.6
121.10130	22.9
122.03629	3.7
123.04412	4.1
123.08053	8.3
123.11690	8.6
125.05959	5.0
125.09637	17.9
127.03922	3.4
128.06216	2.6
129.07060	12.1
131.08545	11.7
133.06499	6.8
133.10136	47.8
135.04456	4.1
135.08054	8.6
135.11673	8.0
137.05978	23.8
137.09633	7.3
137.13232	4.5
139.07539	5.4
139.11168	3.5
143.08527	6.5
145.10162	4.5
147.08012	5.6
147.11703	15.2
149.09608	11.7
149.13271	3.5
151.03902	3.1
151.07532	11.2
151.11174	14.1
153.09081	4.1
155.08607	2.6
157.10124	10.8
161.05925	5.8
161.09627	22.5
163.03854	2.4
163.11136	8.4
165.05521	2.8
165.08966	2.4
165.12732	5.2
171.08092	3.8
171.11786	3.0
173.09669	3.2
173.13245	3.5
175.11174	10.2
177.05518	3.4
178.05061	3.5
179.05280	4.8
179.10684	14.1
180.05585	2.6
181.05029	2.9
189.09096	10.0
193.12248	60.3
195.10123	5.1
197.04358	3.0
197.11667	2.9
199.06018	3.7
207.10153	5.4
209.08228	3.0
209.11810	5.9
211.13315	63.1
219.13852	4.1
225.11278	16.1
227.12715	5.9
267.15887	7.5
281.13788	4.8
299.15024	3.9
305.21655	2.4
455.27744	2.9
459.27048	3.0
473.29306	4.1
491.29971	4.3
508.29080	3.2
509.27368	100.0
526.28632	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	509.2385
Annotation	Milolide K
Peak:m/z	Relative Intensity
53.03945	4.1
55.01873	1.6
55.05503	5.7
57.07065	3.5
59.04987	3.2
65.03930	2.1
67.05502	14.4
69.03436	6.8
69.07072	10.8
69.69505	7.7
71.04988	2.6
79.05493	8.6
81.03419	10.7
81.07057	23.7
83.01337	3.7
83.04996	7.8
83.08620	6.3
85.02906	4.8
85.06532	5.8
91.05476	9.4
93.07046	14.6
95.04952	4.6
95.08609	21.3
96.08926	1.5
97.02913	6.7
97.06538	3.5
97.10181	2.1
98.21144	4.5
99.04499	1.5
99.08131	1.7
103.97433	1.1
105.07019	11.2
107.04961	4.1
107.08611	15.3
109.02868	5.2
109.06519	6.9
109.10161	45.9
111.04443	8.5
111.08074	2.8
117.06976	2.3
119.04943	1.4
119.08590	22.6
121.06517	2.8
121.10136	12.1
123.08041	7.0
123.11731	6.8
125.06018	2.2
125.09665	2.3
125.48898	1.2
127.03938	6.2
129.07021	1.9
131.08591	2.6
133.06429	2.5
133.10150	11.7
135.04430	2.5
135.08075	2.5
135.11699	44.6
137.02353	100.0
137.03386	5.9
137.05940	7.9
137.09607	8.4
137.13271	3.2
139.11163	1.4
144.63559	1.5
145.04974	1.9
145.10098	3.1
147.04459	1.6
147.08032	1.8
147.11688	4.1
149.06015	1.8
149.09608	3.7
149.13264	4.5
151.03922	2.7
151.07558	3.2
151.11198	6.1
151.14821	4.5
153.01839	6.0
155.03403	12.7
157.10167	1.7
159.11714	3.5
161.05930	4.2
161.13202	1.6
163.07495	1.7
165.09097	5.6
165.12735	1.5
167.07066	4.8
175.14844	18.8
177.05518	1.9
177.09038	1.6
178.05042	1.9
179.07152	1.5
181.04976	5.7
187.11243	1.9
189.09111	2.2
191.07053	1.7
191.10533	1.8
193.08568	1.5
193.15869	25.9
193.17438	2.3
195.06577	4.0
195.10268	1.8
199.05962	7.7
209.07898	1.7
209.11633	1.6
211.16933	23.2
223.09604	2.2
237.11235	2.9
242.04306	1.5
249.11345	2.9
281.06561	7.9
299.07492	7.3
401.23288	1.4
433.25912	2.7
455.27914	1.5
473.28970	5.4
491.30139	10.2
509.18436	2.5
509.30954	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	509.2758
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00301	5.8
53.03956	9.8
55.01869	9.9
55.05514	37.9
57.03439	11.3
57.07080	3.1
59.05005	4.0
59.56394	2.0
65.03933	2.7
67.05505	43.0
68.24448	1.8
69.03435	8.8
69.07077	15.8
70.20309	7.5
71.01357	2.8
71.04990	8.6
76.88641	1.8
77.03904	1.9
79.05499	34.5
81.03424	66.0
81.07059	61.6
82.07381	2.1
83.04988	13.9
83.08622	40.7
85.02909	31.8
85.06556	5.7
91.05486	62.3
93.07053	38.0
95.04979	34.1
95.08614	26.5
97.02895	10.0
97.06539	6.6
97.10144	8.8
98.21002	4.0
99.00825	21.8
99.04451	2.1
103.05440	2.2
105.07037	54.7
107.04966	11.8
107.08591	21.3
109.02893	14.4
109.06528	10.4
109.10172	13.4
111.04459	5.4
111.08101	11.1
111.11761	2.1
113.06009	4.5
115.03922	3.1
117.07014	7.1
119.08591	31.5
121.06502	12.6
121.10143	15.7
123.04451	2.3
123.08080	6.5
123.11708	13.7
125.09638	5.4
127.03930	3.4
128.06206	4.0
129.07010	9.9
131.08580	12.5
133.06490	5.6
133.10146	45.4
135.08083	2.9
135.11687	7.1
137.05997	2.1
137.09641	4.4
137.13214	4.2
139.07584	3.5
142.07794	4.1
143.08598	5.9
145.06548	1.9
145.10130	6.6
147.08080	4.6
147.11717	13.4
149.09654	5.1
149.13246	3.3
151.11185	11.7
157.10159	13.4
161.09630	22.5
163.11223	6.1
165.09135	2.4
165.12794	2.4
171.08133	5.4
173.09647	2.2
175.11205	16.7
179.10674	13.2
189.09128	14.5
189.11218	3.3
193.12247	63.6
197.11768	4.9
207.10260	5.0
209.11726	2.7
211.11298	4.3
211.13306	78.4
219.13762	2.6
225.11188	17.1
227.12877	5.3
231.61230	1.8
243.12315	3.1
265.32101	1.7
267.15817	4.2
281.13870	4.1
293.28476	2.6
299.14941	4.7
309.84869	1.9
311.29263	1.9
471.86575	1.9
509.27502	100.0
510.28201	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	509.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.01886	1.1
55.05514	5.9
55.19887	1.0
57.03436	1.2
57.07072	1.5
67.05521	5.2
69.03429	3.1
69.07071	6.2
69.45308	4.4
69.45723	2.5
71.05011	1.4
71.96352	0.9
79.01853	3.6
79.05489	6.5
81.03426	4.4
81.07064	10.6
83.04961	1.6
83.08627	4.4
85.02907	4.1
85.06564	2.2
91.05473	6.4
93.07043	10.6
95.04959	2.5
95.08614	47.6
97.02901	3.2
97.06539	1.4
97.10167	2.9
98.21162	4.1
99.04480	1.4
99.08102	3.4
100.69011	1.0
105.07043	6.4
107.01316	1.1
107.04976	2.2
107.08609	18.3
109.02908	3.8
109.06491	2.1
109.10181	7.3
111.04444	1.4
111.08125	1.2
116.39750	1.2
117.07027	1.4
119.08571	5.3
121.06557	1.5
121.10146	40.3
123.04456	1.8
123.08091	2.7
123.11713	14.7
125.02351	2.9
127.03937	5.4
129.07048	1.0
131.08543	2.2
133.06575	0.9
133.10161	3.3
135.04407	1.1
135.08047	1.4
135.11705	7.5
135.67250	0.9
137.06004	3.5
137.13278	1.1
139.11131	1.2
143.03433	6.3
145.10141	1.1
147.04402	1.1
147.11691	2.3
149.09666	1.5
149.13286	4.4
151.07556	2.9
153.01842	100.0
153.02864	4.8
157.10124	1.5
159.11732	2.8
161.06013	1.8
161.09663	1.5
161.13315	3.0
163.11159	1.0
163.14818	1.8
165.05411	1.2
167.07079	5.1
171.02910	5.4
171.11746	1.7
173.13261	2.0
175.07500	1.6
175.14835	4.0
177.16405	39.2
181.05014	2.2
181.12135	1.1
187.07506	1.1
187.14821	1.7
189.09093	1.1
193.08545	0.9
195.17508	1.7
199.14745	0.9
205.15985	1.6
207.10231	1.9
209.13374	1.0
261.18451	1.1
267.17477	1.2
285.18558	3.9
297.05798	1.9
303.19595	4.1
315.07123	4.7
317.02945	3.7
321.20587	1.4
332.05319	1.8
347.07620	8.9
473.22028	1.0
509.23721	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
67.05496	2.7
69.07058	1.7
69.48443	10.3
71.51709	1.2
74.23929	1.2
76.03574	1.2
79.05485	6.5
81.03437	1.6
81.07047	4.1
85.02890	2.3
91.05488	14.2
93.07048	5.3
94.04153	1.6
95.04964	3.3
95.08594	4.0
95.86823	1.2
97.04816	1.2
98.21339	4.2
103.05444	4.7
105.07025	9.2
107.04931	5.5
107.08583	4.4
109.06497	3.2
109.10136	2.7
111.04439	2.2
115.05482	3.3
116.06219	2.2
117.07002	3.3
119.04965	8.9
119.08569	2.6
120.65805	1.2
121.02884	2.4
121.06517	7.7
122.03666	7.0
123.08073	4.6
125.05993	1.9
125.09637	2.2
127.03908	1.8
128.06209	3.9
129.07021	11.8
131.04900	5.2
131.08557	5.1
132.05699	1.6
133.06451	3.2
135.04462	2.5
135.08014	5.2
136.05162	1.7
136.14014	1.4
137.05986	81.6
139.85980	1.3
143.04890	2.3
145.06464	4.1
146.03618	2.5
146.07285	3.6
147.04443	3.2
147.08035	3.3
148.05209	5.0
148.23758	1.3
149.05962	4.5
149.09610	2.7
151.03934	2.9
151.07552	43.9
157.06514	6.2
159.08055	2.8
161.05989	100.0
161.09636	25.5
162.06647	1.5
163.07562	4.5
165.06978	2.0
165.09113	3.8
167.07091	3.4
171.08072	1.4
174.06757	5.6
175.07574	21.7
177.09151	6.5
179.07085	2.0
181.04874	1.6
181.06367	2.3
182.07243	2.2
189.07356	3.1
189.09126	55.0
190.07800	1.6
191.07014	2.4
191.10625	1.4
193.06499	1.4
194.07298	2.2
195.08295	2.4
195.10162	20.0
205.06509	4.1
206.07265	2.2
207.08162	4.0
207.10162	65.2
208.10428	1.5
210.06757	2.1
211.07494	2.3
218.07188	1.3
218.80630	1.3
219.08047	2.8
219.10089	2.3
221.05946	3.7
221.09685	1.8
222.06696	2.2
223.07523	3.0
223.11041	1.4
224.08603	1.7
225.09106	3.1
227.07033	2.0
233.05942	1.7
234.06729	3.4
235.07562	3.2
237.09119	5.9
238.06329	1.5
239.06880	1.3
245.06064	1.3
245.09511	2.0
247.07422	3.2
248.08482	1.7
249.09125	6.1
250.06255	1.7
251.07094	2.2
251.10638	3.8
253.08606	4.3
255.06429	1.9
265.08603	9.5
267.10184	3.2
268.07211	1.7
270.08670	1.9
271.09531	1.9
277.08557	8.9
277.11612	1.8
278.09262	2.1
279.10132	2.7
281.08115	2.8
282.08771	1.7
283.09653	4.8
285.11307	8.2
291.10043	2.1
295.09650	2.5
295.13409	1.5
297.11237	18.6
299.12766	4.4
305.11673	3.7
309.11142	4.8
311.12790	16.1
317.13861	5.2
321.11182	1.5
323.12854	7.3
337.14346	13.8
341.13919	3.1
349.14594	3.3
355.15482	9.3
367.15363	5.2
403.15546	1.8
409.72006	1.4
479.20886	6.6
509.21982	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	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.2
69.03425	3.9
69.44292	7.1
69.44717	6.4
71.71588	1.4
79.05476	5.4
81.03403	2.9
81.07066	4.2
85.02915	6.7
85.06586	1.7
91.05486	17.0
93.07047	5.1
93.16181	1.5
94.04202	3.1
94.09418	1.5
95.04979	4.0
95.08621	2.6
97.02876	1.9
98.20747	3.5
98.21393	4.7
103.05479	2.6
105.07009	7.8
107.04958	4.4
107.08620	2.9
109.06509	2.8
115.05446	5.0
117.07048	4.4
119.04955	7.9
119.08566	2.5
121.02882	2.7
121.06521	6.2
121.10149	3.3
122.03672	10.0
123.08091	4.4
128.06203	2.6
129.07022	10.4
131.04967	5.8
131.08560	3.7
133.06522	3.6
135.04437	1.9
135.08023	4.7
137.05983	100.0
143.04932	3.1
145.04939	2.8
145.06500	3.5
146.07253	3.2
147.04468	3.3
147.08118	2.5
148.05196	2.6
149.05997	6.1
149.09589	3.2
151.03931	5.6
151.07550	42.0
153.01823	1.8
157.06485	4.1
159.08061	2.1
160.05173	1.7
161.05992	61.3
161.09601	7.6
163.07562	6.2
165.07039	2.3
165.09096	3.6
167.07095	3.9
167.08542	2.8
173.06027	2.2
174.06828	4.7
175.07562	22.1
176.18845	1.9
177.09113	7.9
179.08617	3.0
181.06682	2.1
189.07306	2.3
189.09126	32.4
189.10713	1.6
191.08621	1.9
193.06519	2.1
195.08324	3.2
195.10175	21.3
205.06430	3.4
207.08220	3.2
207.10138	27.6
210.06812	2.0
219.08052	3.7
219.10002	2.2
221.05975	3.2
222.06906	2.8
223.07675	1.7
225.08940	2.1
227.07050	2.9
234.06815	4.5
235.07549	4.3
237.09157	5.3
238.06265	1.8
239.07051	2.2
239.10759	3.1
247.07474	1.8
249.05249	1.8
249.09114	5.2
250.06271	3.3
251.10728	3.5
252.07834	2.0
253.08626	5.3
255.10381	2.4
256.37210	1.8
262.09891	1.9
263.10855	2.3
265.08612	11.1
267.10056	2.9
270.08932	3.3
271.09613	2.6
277.08588	9.9
277.11871	2.5
279.10260	4.7
283.09729	3.3
285.11218	7.3
290.39328	1.7
291.10345	3.1
293.08072	1.9
293.11658	2.3
295.09674	2.3
297.11258	18.7
299.12787	5.2
305.11792	2.0
309.11246	5.5
311.12750	19.7
317.13739	4.9
323.12793	6.7
327.12341	1.8
337.14420	14.8
341.13925	2.1
349.14465	2.7
353.13898	1.7
355.15421	15.9
367.15317	6.9
448.80731	2.0
449.19733	2.0
479.20331	3.1
509.20560	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	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
54.42774	2.0
55.01862	2.8
55.05510	10.4
55.46854	1.8
57.07054	5.0
65.03934	3.4
67.05503	16.4
68.92784	2.2
69.03416	7.5
69.07078	11.1
72.08141	2.2
77.03922	3.9
79.05488	14.5
81.03404	6.3
81.07063	29.3
83.01354	3.2
83.05000	11.1
83.08619	4.1
85.02898	5.0
85.06537	7.3
91.05482	25.1
93.07053	20.3
94.04188	2.8
95.04964	11.7
95.08601	19.5
97.02868	3.8
97.06532	5.4
97.10177	3.0
98.20747	4.2
98.21428	7.8
103.05468	4.3
105.03386	8.7
105.07037	17.4
107.04932	8.9
107.08616	13.1
109.02856	3.7
109.06518	9.1
109.10155	15.6
110.03662	3.8
111.04431	4.5
111.08072	3.9
113.06009	2.2
115.05434	2.6
117.07030	4.9
119.04918	7.2
119.08569	12.2
121.02825	2.7
121.06487	9.1
121.10130	11.0
122.03659	10.3
123.04429	4.7
123.08067	5.7
123.11715	11.4
125.05995	8.5
125.09621	6.2
128.06238	3.4
129.06981	6.5
131.04933	4.8
131.08572	12.1
133.02856	100.0
133.06450	7.0
133.10118	7.7
135.04402	2.8
135.08038	7.5
135.11688	8.9
137.05978	74.4
137.13216	3.5
139.07532	3.4
139.11195	3.0
143.08534	3.2
145.06468	5.4
145.10120	6.1
146.07307	2.3
147.04396	4.0
147.08020	4.9
147.11633	4.6
148.05171	2.3
149.05968	6.9
149.09596	6.6
149.13272	5.2
150.02141	2.6
150.06686	2.9
151.03854	6.2
151.07550	39.7
151.11201	4.0
153.01830	7.9
153.05481	14.6
153.06511	2.3
157.06461	7.6
157.10071	3.1
159.08041	4.1
159.11699	3.1
161.05998	16.1
161.09633	9.2
161.13206	2.4
163.07533	8.6
163.11136	4.6
165.05461	20.9
165.06906	5.1
165.09116	12.7
165.12883	2.7
167.07062	26.0
174.06717	4.8
175.07605	13.0
175.14841	3.4
177.09085	8.3
179.07112	5.3
179.08542	2.3
179.10721	2.5
181.04927	4.6
181.06441	3.7
182.07266	3.5
189.09119	16.9
191.07014	3.0
191.10609	5.3
193.06535	2.3
193.08531	3.3
193.10280	2.5
193.12248	5.0
195.08189	3.7
195.10150	9.6
199.05998	6.0
207.08241	3.2
207.10112	4.7
209.05878	2.7
209.11552	3.8
210.06769	3.7
211.07545	6.8
211.09537	2.7
211.13283	2.4
212.08296	3.1
219.08130	3.5
221.06017	4.0
221.09789	4.7
222.06853	2.8
223.07599	10.5
223.09590	3.6
224.08379	3.7
225.05374	4.0
225.09116	8.2
227.06935	2.4
234.06749	4.9
235.07500	3.2
235.11180	2.5
237.08960	5.9
239.06981	5.9
239.10742	4.9
240.07637	3.5
241.08565	4.8
249.09134	7.3
251.07089	3.5
251.10713	2.5
252.07762	3.3
253.08528	7.4
255.10138	6.8
257.08041	3.8
262.06070	2.6
265.08435	5.3
267.06516	2.9
267.10190	14.3
268.77567	2.2
269.08167	5.7
269.11670	3.7
270.08966	3.2
271.09744	5.5
277.08597	5.3
279.06610	2.2
279.10132	3.6
281.08167	3.0
281.11682	4.0
282.08990	2.7
283.09595	8.6
285.07584	3.2
285.11130	5.1
291.10223	2.7
293.28369	3.9
294.08823	4.5
295.09613	12.3
297.11191	4.1
299.09702	2.2
299.12671	13.0
300.10074	4.7
300.13412	2.7
301.14172	2.4
309.11215	12.3
311.09259	3.7
311.12741	4.2
313.10757	4.4
313.14264	2.5
315.12155	4.3
317.13800	4.1
327.12198	8.0
335.12772	4.8
341.13693	2.8
344.16211	3.6
345.17041	19.3
353.13776	4.4
357.16864	5.7
359.14902	58.4
367.15350	3.6
429.29410	2.6
447.18137	2.3
459.18048	4.3
473.28931	3.7
491.20682	14.6
509.21539	17.6
509.27609	4.0
509.34216	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	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.0
57.07080	39.9
59.52645	2.5
65.03929	5.0
67.05505	48.8
69.07076	25.1
71.08633	30.2
71.57710	4.3
73.36805	2.8
79.05490	25.9
81.07064	69.5
81.07516	4.4
83.08607	22.3
85.10173	15.1
91.05479	15.9
93.07047	35.3
95.04984	5.3
95.08608	38.1
97.06535	6.6
97.10175	8.2
98.21105	4.1
105.07043	8.0
107.08595	16.6
109.10168	13.3
111.08137	3.5
112.28448	2.8
117.07051	5.5
118.89185	2.6
121.10164	10.4
123.11709	7.9
123.18683	2.6
131.08630	5.0
133.10158	5.4
135.11707	4.7
149.13274	18.4
154.17268	2.8
156.61810	3.5
159.11697	7.7
177.12778	5.2
195.13884	8.0
239.23798	9.3
249.61552	2.6
492.09363	8.4
493.09650	4.5
506.10608	3.4
507.11517	36.2
507.40555	100.0
508.11652	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	508.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.4
58.33277	1.7
66.81479	1.7
67.05509	19.9
69.06715	2.6
69.07069	26.8
69.44929	16.2
69.53267	2.3
79.05481	8.9
81.07059	39.2
83.08610	6.9
85.02407	1.9
85.98226	1.8
86.09688	5.2
91.05463	4.0
93.07056	11.4
95.08608	37.2
97.10172	3.6
98.21268	8.4
105.07027	6.0
107.08588	5.4
108.02501	1.9
109.10165	22.3
111.08134	1.9
111.11710	2.5
113.04627	1.8
119.08566	4.2
121.06518	2.3
121.10133	3.3
123.11674	7.1
133.10126	2.2
135.11682	8.0
137.13268	4.4
139.07521	4.4
149.05983	3.8
149.13284	3.6
151.07564	7.6
151.14796	2.1
161.06042	2.4
163.14923	2.5
167.07053	100.0
175.07574	2.1
178.47809	1.9
179.06960	2.3
184.07314	13.9
184.18224	1.9
189.09059	2.2
201.09149	2.5
205.08524	2.2
207.10144	2.8
259.38489	2.0
261.25949	2.7
274.15726	1.9
427.32126	19.0
445.33167	67.7
446.33551	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	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01858	4.3
55.05507	12.4
57.03437	3.6
57.07073	4.7
62.45694	2.7
65.03935	5.0
67.05504	20.6
69.03429	8.7
69.07073	8.5
70.90865	5.5
70.91196	2.9
71.04974	4.2
77.03928	6.0
79.05517	16.9
81.03426	11.7
81.07057	30.3
83.01355	4.2
83.04984	7.7
83.08614	5.0
85.02911	6.5
85.06564	3.2
91.05483	27.3
93.07040	20.3
94.04168	3.6
95.04962	15.4
95.08620	18.3
96.04465	3.7
97.02885	6.2
97.06552	4.3
97.10188	4.2
98.21352	4.2
103.05509	4.6
105.03415	7.7
105.07029	13.8
107.04967	15.6
107.08617	18.0
109.02870	5.3
109.06535	14.3
109.10149	21.4
111.04478	7.8
115.05495	4.2
117.07024	7.9
119.04929	4.8
119.08611	15.6
121.02869	6.7
121.06499	11.4
121.10159	13.8
122.03653	9.3
123.04417	5.2
123.08064	10.0
123.11690	6.7
125.06012	8.5
125.09602	6.1
127.03912	6.2
129.06982	8.4
131.04886	6.0
131.08572	7.3
133.02859	100.0
133.06482	5.5
133.10126	12.4
135.08096	6.8
135.11710	14.4
137.02347	28.7
137.05978	77.9
137.09694	4.3
137.13243	3.7
139.03975	3.5
139.07516	4.3
139.11188	3.7
143.08527	3.7
145.06476	5.9
145.10153	7.0
147.04401	4.3
147.07994	4.9
147.11659	5.7
148.05293	3.7
149.06009	8.2
149.09630	5.9
149.13255	3.6
150.06718	3.9
151.03955	5.9
151.07561	29.9
151.11119	3.8
153.01836	36.4
153.05482	6.9
157.06532	6.2
159.08124	3.3
159.11623	3.7
161.06033	19.5
161.09612	14.8
163.07549	5.9
163.11179	7.8
165.05481	17.9
165.06863	5.4
165.09145	14.1
167.07066	55.6
173.09821	3.3
173.13345	2.9
174.06798	4.0
175.07596	13.7
175.14825	4.5
177.09180	6.4
179.07047	3.4
179.10699	4.0
181.04996	5.9
181.06461	5.0
181.08578	3.4
183.08148	3.5
187.07603	4.4
187.11278	4.6
189.09108	18.8
191.07004	4.3
191.10687	4.4
193.08559	3.7
193.15898	5.0
195.08110	7.1
195.10104	6.9
195.11790	3.5
197.06017	5.0
199.06046	5.6
199.13258	3.5
203.10730	3.1
205.06548	3.5
207.10204	6.5
209.09824	4.4
209.11768	4.3
210.06799	4.7
211.07573	5.4
211.16975	10.1
221.06020	4.2
221.09622	6.0
223.07573	6.6
225.05481	3.2
225.09183	6.2
227.07129	4.5
234.06844	4.7
235.07510	4.2
237.09152	7.6
239.07031	6.9
239.10718	6.8
240.07640	4.2
241.08521	6.2
249.09122	12.1
251.07127	6.3
252.07726	4.0
253.08533	8.3
254.09645	3.7
255.10178	5.5
263.07025	3.9
265.08475	4.4
267.10132	10.7
269.08221	5.0
271.09705	4.7
277.08600	9.2
279.10242	4.6
281.11768	3.7
283.09613	6.5
284.10547	3.1
285.07474	5.5
285.11154	5.8
294.08893	3.3
295.09665	12.9
297.11386	3.5
299.12750	11.5
309.11206	12.2
315.12350	3.8
325.14682	4.5
327.12363	7.7
344.16193	7.9
345.16971	15.0
353.14127	3.6
357.16922	11.6
359.14874	68.1
385.23361	3.3
429.30112	5.1
473.29245	4.3
478.83414	2.9
491.20340	9.9
491.29807	10.9
509.21640	24.6
509.27710	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
54.83699	2.8
55.01864	5.6
55.05513	27.8
57.03424	3.3
57.07074	11.1
59.05009	3.9
67.05512	39.9
69.03431	11.8
69.07069	35.9
69.26039	24.1
69.26452	6.2
71.04987	8.1
79.05492	29.9
81.03418	21.6
81.07063	100.0
83.04980	13.0
83.08629	20.8
85.02908	11.4
85.06534	7.1
91.05480	30.8
93.07055	43.9
95.04968	17.4
95.08608	71.6
97.02905	6.5
97.06539	8.7
97.10155	11.4
98.21268	15.6
105.07037	35.1
107.04970	13.4
107.08600	38.2
109.02882	4.2
109.06581	6.4
109.10172	36.5
109.61340	3.2
111.08105	6.6
111.11733	6.5
117.07036	8.4
119.08566	26.7
121.06475	4.7
121.10147	38.0
123.04441	3.2
123.08092	8.0
123.11706	19.1
125.09650	8.3
127.03911	3.4
129.07007	4.5
131.08572	9.2
133.06462	4.5
133.10144	15.1
135.04416	6.7
135.08037	7.2
135.11682	18.7
137.09631	3.9
137.13248	15.6
139.11165	9.7
142.07861	3.9
143.08611	3.7
145.10153	9.4
147.08038	3.5
147.11708	29.5
149.09641	10.6
149.13263	12.5
151.11217	4.6
151.14828	4.7
153.12737	5.2
157.10114	6.2
159.11681	5.2
161.09756	3.3
161.13271	9.9
163.11218	8.2
163.14816	6.8
165.09169	4.4
165.12737	7.6
175.11208	7.3
175.14755	4.1
181.05098	3.3
181.12206	3.6
183.13873	4.5
186.68051	3.0
189.09244	2.9
189.11160	4.7
191.10638	6.5
193.12292	12.2
209.11823	3.8
211.13214	4.7
217.19551	5.4
223.13335	4.6
225.14920	3.8
227.12697	7.4
233.11916	3.7
249.14882	4.4
273.25781	11.6
291.26804	15.7
309.27917	8.6
383.22018	6.5
401.23242	8.2
475.26804	9.1
489.30707	3.4
507.29813	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.0
53.03941	2.8
55.01871	2.2
55.05516	17.9
57.03429	2.6
57.07078	46.0
65.03936	2.7
67.05508	59.5
68.05840	1.0
69.07069	26.3
69.34429	1.8
69.34839	6.0
71.04980	3.6
71.08634	31.4
79.05496	28.9
81.03432	2.0
81.07062	79.7
83.05000	4.2
83.08624	24.0
85.06525	3.0
85.10189	15.1
91.05483	12.8
93.07049	41.3
94.33727	0.8
95.04964	5.7
95.08611	46.2
96.08900	0.9
97.06522	8.7
97.10172	9.2
98.20871	2.7
99.08086	2.8
99.11773	1.1
105.04519	1.6
105.07044	7.4
107.08597	21.3
109.06525	1.0
109.10159	17.5
111.08077	7.1
111.11749	1.3
117.07030	4.3
119.08590	2.7
121.06525	0.9
121.10135	14.7
123.11718	9.3
125.13296	1.7
126.63242	0.8
131.08583	6.6
133.10152	6.7
135.08054	1.2
135.11696	7.1
137.13243	2.9
139.07468	1.6
139.11198	1.7
144.99710	0.9
149.13264	27.2
151.11227	1.8
155.92162	1.0
159.11679	10.9
167.14346	1.0
175.98997	0.9
176.83252	0.9
177.12834	4.5
195.13840	10.6
213.14958	1.8
221.22740	1.4
239.23705	10.1
253.14433	1.4
337.00821	0.9
434.33640	1.8
507.40515	100.0
508.40869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	1.5
55.05513	14.0
57.03432	2.1
57.06787	1.8
57.07075	40.4
65.03923	2.8
67.05507	49.3
69.07069	22.5
69.51866	3.5
69.52272	1.7
71.05000	2.3
71.08631	29.4
74.09726	1.4
77.03901	0.8
79.05492	23.8
81.03407	2.3
81.07057	66.9
81.58858	0.7
81.73202	0.7
83.04968	3.6
83.08624	21.4
85.06548	2.0
85.10188	12.3
87.01273	0.7
91.05483	15.1
93.07043	34.3
95.04976	4.8
95.08607	35.4
96.05270	0.8
97.06538	5.4
97.10165	7.3
98.21346	1.9
99.08083	1.7
99.11759	1.0
105.04557	0.9
105.07036	6.4
107.08595	18.9
108.50069	0.8
109.06504	1.2
109.10162	12.3
111.08088	4.2
111.11715	1.8
113.09561	0.8
117.07040	5.4
119.08571	1.7
121.06476	1.2
121.10155	9.0
123.11708	7.9
131.08577	4.8
133.10133	8.4
135.08075	0.9
135.11682	6.6
137.13272	2.7
149.13258	22.1
151.11159	0.9
151.14703	0.9
159.11679	7.8
168.07787	0.7
177.12747	4.3
195.13815	14.3
201.18622	0.9
213.14838	1.9
239.23668	9.2
267.15677	0.8
316.27133	0.9
507.40469	100.0
508.40506	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	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.05513	19.7
57.07072	7.1
58.61304	3.3
60.30405	3.5
67.05512	34.5
69.03398	4.4
69.06754	4.8
69.07076	46.5
69.25198	8.6
69.25597	29.7
71.08640	7.9
79.05505	21.9
81.03420	4.8
81.07066	91.6
83.08636	25.9
85.02904	9.4
91.05499	19.3
93.07045	46.5
95.04952	6.1
95.08621	100.0
97.10154	13.7
98.20758	8.3
98.21416	11.3
101.08044	3.9
105.07026	28.8
107.08606	36.2
109.10175	50.5
111.11729	5.0
119.08599	18.5
121.10150	41.1
123.08102	4.6
123.11712	34.7
125.13251	4.0
133.10120	16.1
135.11723	27.9
137.13286	20.2
139.11133	5.5
147.11717	15.3
149.09633	10.2
149.13275	21.3
151.14827	8.5
153.12907	4.1
161.13309	8.1
163.14806	10.3
165.12798	5.3
175.14857	4.8
177.16463	4.6
179.17810	5.0
181.15816	4.3
191.18004	6.7
203.18008	6.8
207.99460	4.2
217.19600	6.7
247.24416	4.3
268.80515	4.1
273.25870	23.8
291.26849	19.3
309.28210	4.9
352.12387	4.2
444.14865	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	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	43.1
57.07066	19.7
59.53308	8.5
67.05508	57.6
69.03428	25.8
69.07072	50.3
70.98439	9.3
71.04977	19.5
71.46413	14.4
78.50404	9.3
79.05479	60.0
81.03433	15.0
81.07056	99.7
83.04985	28.3
83.08643	18.2
85.02910	22.6
85.06528	24.6
91.05493	39.6
93.07040	83.4
95.04955	35.2
95.08601	90.2
97.02903	12.5
97.06564	19.9
97.10167	18.3
105.07031	55.5
107.08620	53.6
109.06508	15.9
109.10155	56.6
117.06914	14.1
119.04918	16.9
119.08604	33.8
121.02858	18.8
121.06529	15.7
121.10145	100.0
122.10503	9.3
123.08056	23.5
123.11716	38.9
125.06049	12.6
125.09660	12.2
129.06934	13.9
131.08566	32.1
133.10110	29.1
135.08157	11.2
135.11728	26.5
137.05998	19.4
137.09636	20.1
145.10121	27.7
147.04533	9.4
147.11673	30.2
149.09634	75.0
149.13266	19.2
151.07574	14.1
151.11212	17.5
153.01814	12.4
157.10197	13.7
161.09648	24.4
163.07640	9.9
163.11102	12.9
165.09117	18.6
165.12668	14.0
167.07045	17.7
173.09686	15.3
173.13368	11.9
177.09157	12.6
178.04994	35.8
179.10742	12.8
181.04927	11.6
193.12183	10.7
329.16248	10.0
383.22183	14.5
409.27332	13.3
471.27539	12.0
489.17252	11.1
489.28275	26.1
507.29745	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	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01877	5.0
55.05511	18.3
57.07071	11.8
67.05506	35.9
68.69194	3.6
69.03428	13.2
69.07077	34.5
70.00403	13.5
71.05001	7.7
79.05491	26.1
81.03429	10.4
81.07064	100.0
83.04987	9.5
83.08629	16.9
85.06548	9.4
85.10160	4.9
91.05483	21.7
93.07043	44.1
95.04955	4.3
95.08607	63.8
97.02879	4.6
97.06516	8.3
97.10175	11.7
98.20995	8.5
99.08122	4.7
102.83369	3.2
105.07052	27.8
107.05025	3.9
107.08600	32.7
109.02833	3.3
109.06480	6.7
109.10175	43.6
111.04469	5.2
111.08076	10.8
111.11713	7.5
112.89380	3.1
119.08562	22.7
121.06570	4.4
121.10155	30.7
123.08069	5.7
123.11729	23.3
125.06041	5.5
125.09625	11.4
127.03854	3.5
127.11214	3.9
131.08583	3.7
133.10135	13.9
135.11719	16.9
137.05966	7.7
137.09583	7.1
137.13252	17.1
139.03903	5.6
139.11089	4.4
145.10143	8.2
147.11714	10.8
149.09619	7.9
149.13277	29.1
151.07579	5.1
151.11191	4.5
153.01836	6.8
153.12733	5.7
155.14299	12.1
157.06677	3.2
157.10072	4.7
159.08066	4.1
159.11671	6.5
161.13281	5.1
163.07587	3.5
163.11215	4.0
163.14903	9.2
165.12775	6.0
167.07053	10.7
173.09671	9.3
175.07535	4.8
175.14842	5.2
177.16330	7.3
178.05009	7.6
179.10709	4.1
186.39917	3.4
187.11166	4.0
189.16463	3.6
189.99854	3.2
191.10632	3.9
191.18015	5.4
207.45807	3.8
215.10677	4.4
219.46196	3.4
273.25778	7.8
279.26895	7.6
291.26758	17.4
309.27911	15.2
345.09384	8.0
475.26947	4.9
507.29324	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	507.2805
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.05509	5.1
57.03411	3.1
67.05510	3.7
69.03432	13.8
69.07063	8.4
69.34049	5.7
69.34457	17.5
73.02920	8.6
79.05486	4.0
81.03425	5.0
81.07069	8.7
83.08627	7.2
85.02905	19.6
85.06506	3.7
91.05502	3.8
93.07038	10.7
95.08606	21.0
97.02882	11.0
97.10144	4.7
98.20895	9.2
99.08105	7.8
107.04928	2.8
107.08593	21.9
109.02885	2.9
109.10149	4.7
111.08080	4.5
115.03939	3.9
121.10151	43.0
125.09644	5.1
127.03903	8.5
133.04955	8.0
135.11690	8.5
137.05968	8.9
137.13235	5.7
145.04979	5.6
153.01840	9.6
154.02167	3.6
159.11491	2.5
163.05971	4.4
163.07373	2.8
177.04176	5.9
177.16393	100.0
181.04993	3.1
192.06589	22.2
193.06905	13.2
195.17482	16.3
213.18538	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.28
Annotation	Foliasalacioside E2
Peak:m/z	Relative Intensity
53.03941	2.9
55.01883	9.1
55.05508	12.1
57.03443	15.3
57.07078	2.5
59.04988	2.0
61.02929	15.2
63.87400	1.5
67.05505	7.4
69.03432	26.3
69.07069	20.9
71.01334	3.2
71.04996	4.7
71.30729	3.9
73.02923	100.0
75.78619	1.7
79.05505	4.8
81.03416	4.0
81.07069	17.7
83.05006	3.9
83.08623	6.0
85.02914	60.1
85.06539	13.5
87.04461	4.9
93.07042	11.5
95.05009	1.9
95.08606	25.4
97.02908	27.6
97.06535	4.0
97.10168	7.1
98.21278	2.5
99.04475	3.7
99.08107	12.8
103.03894	2.1
105.07039	4.3
107.08591	16.6
109.02874	3.8
109.10173	10.5
111.11733	5.3
113.09658	7.6
114.53092	1.7
115.03934	30.7
119.08596	3.0
121.10151	18.9
123.11695	4.6
125.09648	5.2
127.03944	16.0
128.80577	1.9
133.04993	19.8
133.10118	8.1
134.10503	4.1
135.11763	8.5
137.05994	3.0
137.13254	11.7
139.11230	3.7
145.04947	12.9
149.05907	1.9
149.13237	3.9
153.12772	4.3
163.06163	2.4
177.13086	2.1
177.16400	61.6
192.14714	2.0
195.17458	37.7
196.17732	2.2
213.18510	65.2
223.06032	1.6
241.06975	2.7
345.22534	4.3
375.23602	2.9
507.27884	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	507.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84546	2.7
51.02358	3.3
53.03947	6.9
54.23241	2.4
55.01876	28.4
55.05514	41.2
57.03416	9.4
57.07064	10.4
65.03934	7.6
65.97350	2.8
67.05506	93.9
69.03415	5.9
69.07066	25.4
69.90475	5.3
69.90891	8.6
71.04995	5.1
73.02914	4.0
79.05497	100.0
81.03424	31.1
81.07059	63.7
82.04189	10.7
83.04979	34.4
83.08624	16.5
85.02890	4.5
85.06521	6.2
86.41415	2.7
91.05485	95.8
93.06467	5.1
93.07047	87.5
95.04974	45.4
95.08608	43.8
97.02884	6.7
97.06523	18.6
97.10165	11.4
98.07307	8.4
98.21059	6.6
105.07034	62.8
107.04964	18.5
107.08603	34.1
109.06543	14.7
109.10164	23.5
111.04433	5.8
111.08074	9.7
115.05376	3.3
116.04762	2.7
117.07042	20.5
119.07780	3.8
119.08584	40.7
121.06499	11.4
121.10151	17.1
123.08059	12.8
123.11664	4.1
125.09625	11.5
128.06267	4.9
129.07014	19.6
131.08580	14.5
133.06503	5.6
133.10135	25.2
135.08086	6.4
135.11655	14.9
141.07094	3.2
143.08594	8.4
145.10097	20.0
147.08023	7.5
147.11696	34.7
149.09587	3.7
149.13275	3.4
153.12781	4.3
157.10214	4.8
158.05792	3.3
159.11655	3.9
161.09573	5.5
161.13274	16.9
163.11205	17.0
170.11253	2.8
171.06500	6.6
171.11696	39.1
175.11124	3.7
177.12714	5.6
181.12305	3.0
187.14705	3.1
189.12750	12.2
191.10640	5.3
193.12164	4.2
194.76845	2.8
199.13199	4.1
207.13838	32.0
209.11702	4.8
227.12749	8.4
253.14247	3.1
255.15781	4.1
265.72650	3.2
281.17368	20.9
283.15488	13.3
335.18494	4.8
363.21790	3.5
388.21472	2.9
405.26248	3.2
435.27475	9.0
461.28607	5.1
481.65906	3.2
489.28436	18.9
507.29501	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01871	1.3
55.05505	7.2
57.03431	1.2
57.07071	3.0
60.27658	1.2
65.03940	1.8
67.05507	14.8
69.03432	7.9
69.07072	12.3
70.15736	2.8
70.16131	3.3
71.05008	2.3
79.01850	2.7
79.05501	7.0
81.03417	5.0
81.07060	32.4
83.04975	3.5
83.08615	5.6
85.02908	7.6
85.06550	13.8
86.86857	1.2
91.05489	3.9
93.07037	11.8
95.04980	5.2
95.08053	2.0
95.08617	33.4
97.02882	4.1
97.06522	1.7
97.10157	2.4
98.21275	2.3
99.04427	2.0
99.08089	4.9
105.07043	7.5
107.01313	1.5
107.08595	13.7
109.02878	2.3
109.06507	3.1
109.10155	28.6
111.08087	2.1
111.11698	2.1
118.02671	1.3
119.08589	9.2
121.02876	61.6
121.06505	2.1
121.10147	12.8
123.08067	4.8
123.11712	11.6
125.02361	3.5
125.09617	2.0
127.03913	8.4
127.11219	1.8
127.71230	1.2
131.08501	1.7
133.10139	5.3
135.08037	1.8
135.11702	16.6
136.06458	1.2
137.06035	1.3
137.09615	4.4
137.13251	5.4
139.03911	12.0
139.11108	2.1
143.03404	4.3
147.04457	1.9
147.08058	1.2
147.11708	2.7
149.09612	7.2
149.13263	11.8
151.07611	1.6
151.14822	3.1
153.01836	100.0
153.02849	3.8
161.09688	1.6
161.13251	3.0
163.11206	1.3
163.14804	4.8
165.09120	5.0
167.14293	2.1
171.13864	1.6
173.09489	1.3
175.14774	4.3
177.16476	2.0
178.04993	1.3
181.12296	1.5
189.12737	3.9
193.15930	8.3
196.48112	1.4
203.18004	1.6
207.13782	11.5
211.16934	2.6
217.19562	1.4
221.18948	1.6
265.07092	4.9
279.26849	3.1
283.08130	8.3
291.26895	8.2
297.06049	2.7
297.27750	1.8
309.27838	7.8
327.28949	1.9
507.18353	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	507.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01860	1.7
55.05511	8.1
57.03436	1.4
57.07070	5.9
59.05005	1.3
65.03933	2.9
67.05505	15.6
69.03425	13.0
69.07071	12.4
69.77321	6.2
71.01372	1.2
71.05000	3.5
71.08602	1.5
77.27554	1.0
78.62154	1.0
79.05502	8.7
81.03420	12.4
81.07059	41.7
83.04972	4.2
83.08603	6.2
85.02912	10.3
85.06544	16.6
91.05473	8.3
93.03414	1.7
93.07048	14.7
95.04957	4.9
95.08614	26.8
97.02898	8.9
97.06530	2.6
97.10175	3.7
98.21016	3.2
98.21617	1.0
99.04457	1.7
99.08098	3.7
100.47703	0.9
100.95057	1.2
105.07028	10.1
107.04985	2.5
107.08598	26.2
109.02884	4.7
109.06490	6.3
109.10155	23.2
111.04436	4.5
111.08088	4.4
111.11703	3.2
113.09668	1.3
115.05450	1.6
117.07026	1.9
119.08581	6.8
121.02868	18.3
121.06535	2.0
121.10149	19.1
122.07288	4.4
123.07143	1.0
123.08062	4.5
123.11723	18.8
125.06004	1.5
125.09651	3.3
127.03896	5.5
127.11210	1.6
131.08569	3.4
133.10132	59.4
134.10440	1.4
135.04353	1.4
135.08069	6.9
135.11682	7.5
137.02342	100.0
137.03331	4.4
137.06004	3.0
137.09618	29.4
137.13251	7.0
138.02705	1.4
139.03886	3.4
139.04942	1.8
139.11183	3.2
143.08514	1.7
145.04982	3.8
145.06531	1.2
145.10117	2.0
147.04340	1.0
147.11702	3.9
149.09656	5.5
149.13258	15.5
151.07564	1.4
151.11177	3.8
151.14821	3.3
153.01855	2.4
153.12712	5.0
155.03369	11.9
161.09642	2.0
161.13341	1.8
163.03857	1.9
163.11179	3.5
163.14865	4.9
165.09106	2.2
165.12770	16.6
167.07083	1.6
171.13795	1.1
173.09660	1.2
173.13268	3.5
177.16441	2.6
189.09203	1.8
189.12769	1.2
191.10677	1.5
191.14319	23.1
191.17958	2.2
193.15970	1.3
205.12173	1.4
207.13766	1.5
209.15363	42.0
217.19591	2.3
223.20575	1.4
225.14906	1.9
235.20667	1.7
265.07117	1.5
273.25864	2.6
279.26788	4.4
281.06647	6.9
291.26819	8.4
297.27844	3.7
299.07565	11.8
309.27844	7.8
327.28995	4.1
355.06445	3.3
394.08493	1.3
507.18436	51.0
508.18631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01866	15.2
55.05516	35.5
57.03438	18.7
57.07071	4.3
65.03920	4.3
67.03838	4.3
67.05167	5.2
67.05509	76.6
67.73036	3.2
69.03426	5.3
69.07079	21.0
71.05003	11.1
71.57502	3.7
79.05051	7.0
79.05494	100.0
81.03416	23.8
81.07056	70.6
83.01340	8.5
83.04980	29.1
83.08620	14.4
85.02892	4.1
91.05485	72.2
93.07044	97.4
95.04973	34.4
95.08609	41.6
97.06540	6.1
97.10175	7.1
105.07043	53.6
107.04970	14.0
107.08604	30.0
109.02869	3.6
109.06538	13.3
109.10168	12.3
111.04446	10.4
111.08100	9.5
117.07033	19.4
119.08592	35.4
120.08822	3.0
121.06544	5.5
121.10144	23.1
123.04462	4.7
123.08081	12.7
125.09625	6.4
129.07034	21.4
131.08598	19.4
133.10129	16.6
135.08057	7.8
135.11694	13.5
137.09673	4.1
139.07588	4.9
139.32474	3.2
143.08578	10.8
145.10124	27.1
147.08090	5.9
147.11684	33.8
149.13222	5.1
153.12738	8.3
155.08488	5.2
157.10158	5.8
159.11746	4.9
161.09630	7.6
161.13318	11.2
161.44543	3.2
163.11166	23.7
171.11722	22.7
181.12260	5.9
189.12790	7.8
191.10699	11.0
193.12230	9.3
207.13850	32.4
209.11821	9.7
211.13431	4.9
225.11241	4.3
227.12808	10.0
249.40155	3.7
281.17444	39.5
283.15436	53.0
445.16745	3.9
489.28448	78.8
507.28799	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	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03949	5.0
55.01878	1.5
55.05512	12.9
57.03439	2.1
57.07077	45.1
63.49369	0.6
65.03933	1.5
67.05504	28.3
69.03415	1.8
69.07068	9.2
70.04464	0.6
70.59551	1.8
70.59908	0.9
71.04987	2.1
71.08633	30.2
79.05493	14.8
81.03419	92.5
81.07057	29.4
83.04982	3.0
83.08622	29.9
85.06512	1.1
85.09651	0.8
85.10178	18.1
91.05484	21.1
93.07050	10.3
95.04969	22.8
95.08605	30.5
97.02882	2.8
97.06503	0.9
97.10162	7.0
99.11749	1.1
105.07039	14.4
107.04967	5.7
107.08602	3.3
109.06538	2.7
109.10152	15.8
111.04482	1.4
111.08086	7.8
111.11741	1.9
115.05487	1.9
117.07040	1.4
119.04929	0.9
119.08581	11.9
121.06510	2.2
121.10160	4.8
123.04440	1.9
123.08041	1.3
123.11699	6.8
123.54559	0.7
125.13270	1.1
128.06247	1.0
129.07004	11.4
131.08577	8.1
133.06522	2.7
133.10159	3.3
137.09616	1.4
137.13281	2.3
142.07814	2.9
145.10117	1.7
147.08064	2.4
147.11682	6.2
149.09644	3.6
151.14801	1.0
157.10124	8.9
165.12766	1.9
175.11198	10.3
193.12241	58.2
205.12279	1.0
212.33568	0.7
221.22612	1.3
231.13847	1.7
239.23694	11.4
249.14879	7.3
376.37653	0.8
431.34909	0.7
505.38892	100.0
506.38968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01867	0.4
55.05494	0.7
57.03439	1.0
58.17599	0.2
61.51189	0.2
67.05484	0.4
69.03118	0.2
69.03432	1.9
70.82926	0.4
71.04991	0.3
72.70407	0.2
75.04478	1.7
77.03910	0.4
79.05049	0.3
79.05489	4.4
81.03422	2.0
81.07057	1.8
85.02891	0.9
87.43693	0.2
91.05484	4.1
93.07046	20.6
94.06599	0.2
95.04984	1.1
95.08611	1.0
97.02915	0.9
97.06544	0.3
98.21114	0.2
99.04430	0.3
103.05469	0.4
104.04971	1.0
105.04508	0.3
105.07044	2.1
105.81598	0.2
107.08590	3.5
109.02904	1.0
109.06509	0.3
111.08065	1.4
116.06216	0.2
119.08578	1.4
121.06529	0.3
121.10144	20.3
122.06003	0.5
122.10511	0.2
123.08054	0.4
123.11709	0.5
127.03938	1.1
131.08577	1.3
132.04451	5.5
137.68344	0.2
139.11182	0.7
149.09613	3.7
167.10674	1.9
176.54306	0.2
178.04994	100.0
179.05321	1.6
211.98315	0.2
293.13910	2.3
309.76865	0.2
311.14899	1.7
326.13956	0.3
329.15887	0.3
340.10428	0.6
488.19086	1.7
506.19543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01321	1.1
53.03947	1.7
55.01858	1.5
55.05511	13.8
57.07080	1.9
65.03928	1.7
67.05511	6.4
69.03437	7.4
69.07059	5.2
71.04984	4.3
71.56445	1.5
73.06164	1.4
73.06554	17.2
74.45821	1.3
79.05497	5.8
81.03407	4.0
81.07056	11.4
83.04987	12.1
83.08600	7.8
85.02904	8.8
85.06543	2.7
91.05465	5.9
92.05840	1.4
93.07031	8.0
95.04970	48.4
95.08600	7.1
95.41267	1.1
97.02899	12.1
97.06522	5.0
97.10160	2.1
99.04470	13.4
100.53657	1.1
101.06008	1.8
102.42727	1.2
105.07017	7.6
106.07381	1.3
106.47097	1.6
107.04958	1.9
107.08591	9.8
109.02870	4.5
109.06512	5.8
109.10151	13.2
111.04510	1.3
111.08078	4.6
113.09676	1.4
117.07049	1.9
119.04926	4.1
119.08547	5.4
119.23417	1.1
120.05290	2.6
120.08106	3.3
121.06481	4.2
121.10145	8.9
123.08047	1.5
123.11694	4.1
123.83215	1.4
125.06001	1.5
125.09618	3.4
127.03927	9.0
129.67659	1.2
131.08530	3.7
133.10144	10.8
135.08066	2.9
135.11682	1.3
137.05995	2.3
137.09683	1.7
139.11143	1.7
145.04965	3.8
145.10117	2.7
147.04411	21.0
147.11697	3.0
148.04745	8.5
148.11990	1.1
149.05954	2.0
149.09622	6.3
149.13217	2.9
151.07611	1.9
151.11169	11.3
153.09099	16.7
161.09552	1.9
161.13322	2.1
163.11218	2.0
165.09117	1.4
165.12830	1.4
166.08617	2.1
167.06992	6.3
167.10701	2.3
167.14316	12.3
173.13251	4.3
175.14752	1.4
178.05014	15.6
181.12257	1.4
191.14294	3.2
193.15869	1.8
209.15367	100.0
227.12788	2.3
227.16502	1.8
245.10309	2.1
251.12363	1.5
276.72748	1.2
285.05609	1.4
488.33801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.21146	8.0
53.03941	9.1
54.84967	7.0
55.05497	24.9
67.05500	37.8
69.03434	16.8
69.07061	21.5
69.28583	48.9
74.40270	6.4
74.62537	7.0
79.05491	30.5
81.03408	10.0
81.07058	59.1
83.04989	15.1
83.08620	12.2
85.06563	7.4
91.05464	37.7
93.07054	46.8
94.32700	6.4
95.04969	17.3
95.08610	60.5
97.06559	8.0
97.10162	8.8
97.84993	7.7
98.21359	26.9
99.08089	15.6
105.07037	76.0
107.04969	8.9
107.08590	66.6
109.06536	11.7
109.10151	49.1
117.06998	13.0
119.08591	95.8
121.06551	10.8
121.10112	46.2
123.08084	14.5
123.11681	19.3
125.09662	13.2
129.06900	10.5
131.08569	63.8
133.10139	66.0
135.11707	27.8
137.05963	18.5
137.09706	6.8
142.07820	7.8
143.08569	19.8
145.10129	100.0
147.11685	56.3
149.13200	16.3
157.10149	29.7
159.11691	40.5
161.13272	19.7
163.14857	11.0
171.11711	20.6
173.09738	6.6
173.13278	48.7
175.14857	38.1
177.16386	28.5
183.11707	9.2
185.13255	27.4
187.14827	97.1
189.16415	20.3
191.14287	16.5
195.13950	7.7
199.14815	36.9
201.16438	50.9
203.14337	20.4
205.15881	85.9
211.14798	11.3
213.16272	9.7
217.15785	11.8
221.15334	11.6
227.17865	7.3
253.19511	7.8
377.82297	7.9
405.31644	33.5
411.32928	8.7
423.32462	31.1
439.32690	10.6
451.31940	19.1
469.33444	33.0
505.27570	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01863	1.8
55.05513	12.3
57.03423	1.6
57.07076	48.8
63.23928	0.7
65.03936	1.5
67.05505	29.3
69.03424	2.0
69.07063	10.7
69.70162	3.9
71.01349	0.6
71.04996	1.8
71.08633	31.7
79.05495	15.6
81.03419	99.9
81.06575	1.5
81.07056	31.7
83.04984	2.9
83.08621	31.0
85.02898	0.9
85.06531	1.1
85.10180	17.6
88.34886	0.7
91.05482	19.0
93.07045	10.4
95.04968	28.4
95.08606	33.6
97.02877	1.5
97.06535	1.4
97.10167	7.8
98.20787	1.2
99.08125	1.1
99.11748	1.3
103.05450	0.8
105.07031	14.6
107.04958	6.5
107.08585	3.7
107.09216	0.7
109.06538	1.8
109.10154	14.0
111.04459	2.0
111.08085	8.7
111.11714	2.0
113.13284	0.7
115.05477	1.6
117.07041	1.3
119.04975	1.3
119.08588	10.8
121.06528	2.8
121.10132	5.0
123.04457	1.9
123.08115	1.0
123.11706	6.3
125.13251	1.4
129.06995	9.9
131.08568	8.0
133.06514	2.5
133.10136	4.7
135.08093	0.7
137.09622	1.4
137.13264	3.0
141.07059	0.7
142.07808	3.2
145.10120	1.2
147.08058	3.3
147.11702	5.3
149.09601	4.8
151.14894	0.7
156.51216	0.7
157.10141	9.8
165.12730	1.6
175.11195	9.7
193.12244	62.8
205.11859	0.7
221.22722	1.4
231.13815	1.1
239.23703	10.9
249.14844	8.8
505.38876	100.0
506.39175	2.5
512.82361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73207	2.3
52.10262	1.8
55.05519	12.5
57.07067	9.6
67.05503	5.7
69.07078	12.1
70.35126	4.5
70.35489	3.7
71.04995	2.2
71.08624	4.7
73.06546	5.2
77.27536	1.6
79.05495	4.8
80.44018	2.0
81.03413	7.2
81.07057	20.7
83.01306	1.9
83.04969	4.9
83.08615	5.3
85.10181	2.4
88.81841	2.1
91.05499	4.7
93.07028	8.1
95.04964	3.4
95.08603	13.8
95.96114	1.9
97.10157	1.9
98.21046	4.0
107.08620	3.8
109.10162	9.4
119.08593	2.5
121.10146	2.9
123.11713	5.7
135.11717	3.0
139.07481	2.8
146.25911	2.1
149.05977	5.5
149.13339	2.0
151.07558	8.8
167.07053	100.0
175.07545	3.6
179.07094	2.7
189.09126	7.1
193.12189	2.9
201.09125	4.2
203.10666	4.2
205.08659	2.9
207.10167	7.6
226.93929	2.0
247.13329	1.9
250.03551	2.4
263.33426	2.1
318.97769	2.1
346.19214	2.4
387.25275	8.6
425.30176	3.9
443.31665	25.4
461.32611	52.8
506.39212	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	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05512	5.1
59.61792	1.2
67.05510	7.3
69.07079	5.9
69.54946	5.3
79.05484	6.4
81.03426	1.4
81.07059	14.3
83.04990	2.3
83.08620	4.3
85.95361	0.8
91.05479	8.0
93.07049	12.6
95.04973	3.9
95.08610	16.3
96.08970	1.0
97.06540	1.4
97.10166	1.5
98.20992	2.8
105.07038	15.1
107.04934	1.8
107.08593	16.6
109.06516	2.8
109.10147	7.8
111.08102	1.7
117.07016	3.0
119.08591	21.2
121.06501	2.8
121.10154	10.7
123.08084	4.3
123.11700	3.0
125.09666	2.3
129.07034	1.9
130.07858	1.0
131.08578	10.4
132.33676	0.9
133.06548	1.1
133.10130	15.7
133.52409	0.9
135.08086	2.8
135.11699	3.8
137.09628	3.1
139.07556	1.2
142.07848	1.0
143.08554	3.1
144.09332	1.3
145.10138	14.3
147.08061	1.0
147.11687	11.7
149.09598	3.7
149.13245	5.5
151.11250	1.3
155.08571	1.2
157.10217	4.6
159.11671	9.9
159.12663	1.0
161.09604	2.7
161.13274	5.3
163.11208	3.2
163.14830	7.2
163.69366	0.9
169.10210	1.7
170.10938	1.1
171.11638	4.3
173.09703	1.1
173.13255	8.8
175.11151	2.3
175.14796	6.9
177.12782	2.6
177.16438	3.3
183.11665	1.2
185.13313	3.3
187.14809	12.1
189.12753	1.0
189.16449	4.0
191.14325	9.1
193.12233	1.3
199.14816	4.4
201.16383	18.7
201.18210	1.0
203.14381	4.4
203.17944	7.5
205.15898	11.0
209.15370	6.5
211.14861	1.5
213.16377	3.0
215.18002	1.7
217.15907	2.2
217.19409	1.4
219.17480	3.2
221.13261	1.1
221.15347	2.6
227.17967	1.6
229.19466	1.7
235.16939	2.0
241.19522	2.1
243.21088	1.6
247.16948	4.7
255.21049	4.1
257.22705	1.3
301.21530	1.5
311.49707	1.0
348.81754	0.9
363.25293	5.6
389.26962	3.6
405.31595	4.6
413.27145	1.0
423.32523	3.3
427.23679	1.1
433.30988	2.1
441.33374	2.9
451.32129	5.4
459.34714	100.0
460.35049	2.7
469.33044	2.8
487.33658	2.7
505.27579	1.5
505.35156	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03943	9.6
55.01874	15.1
55.05517	34.3
57.03414	7.2
66.92112	6.0
67.05509	64.0
69.03437	17.2
69.07063	16.5
79.05495	53.1
81.03385	17.8
81.07056	64.9
83.04990	14.6
83.08606	23.0
91.05466	65.4
93.07037	43.9
95.04984	48.4
95.08614	46.3
97.06534	11.9
97.10136	14.4
98.20989	36.8
99.04417	11.9
105.07019	42.3
107.04958	28.8
107.08593	41.4
107.24673	6.9
109.06525	12.6
109.10153	23.6
111.08099	6.9
117.07003	21.4
119.08588	50.1
121.10130	30.1
123.08053	12.4
123.11668	9.0
129.07068	7.6
131.08553	25.7
133.10150	26.4
135.11664	18.0
143.08598	18.5
145.06491	8.1
145.10127	32.3
147.08025	13.0
147.11658	8.7
157.10161	10.1
159.11700	27.3
161.13275	19.6
163.11168	21.3
177.12808	9.6
182.21896	7.0
187.14854	15.7
189.16417	25.3
193.12106	7.6
201.16293	8.3
207.66740	7.6
215.17937	9.1
223.13283	80.0
270.76178	7.3
319.02133	8.3
394.01776	10.5
395.29599	7.9
405.31140	7.8
411.53995	7.6
439.32141	16.2
469.33136	51.4
500.48663	7.2
505.27737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.33145	4.2
53.03942	3.6
55.05511	9.7
61.64990	4.0
67.05493	17.6
68.52338	3.7
69.03433	4.8
69.07056	17.8
69.51236	25.1
72.36639	4.1
79.05508	22.5
79.99464	3.5
81.07060	36.1
83.04982	8.1
83.08618	8.6
85.06527	4.7
91.05481	34.4
91.71948	3.5
92.36161	3.9
93.07047	43.8
95.04944	7.9
95.08603	45.0
98.20895	10.5
99.08096	16.0
105.07034	78.4
107.08591	56.9
109.10147	21.7
111.08054	6.6
117.07033	10.6
119.08584	100.0
121.06522	4.9
121.10152	45.2
123.08053	8.5
123.11721	16.3
129.06973	5.3
131.08580	67.7
133.10135	67.1
135.08081	4.0
135.11682	21.3
142.07759	4.9
143.08543	13.6
145.10130	77.4
147.11691	51.8
148.97858	3.5
149.09575	4.8
149.13278	16.9
153.01860	7.0
157.10095	26.2
158.10893	5.9
159.06696	4.7
159.11699	50.4
161.09593	7.8
161.12071	3.9
161.13260	22.2
163.11157	5.5
163.14816	8.5
165.09132	3.9
169.10187	7.8
170.10884	6.5
171.11671	16.9
173.03438	3.7
173.13271	41.5
175.11185	4.9
175.14818	28.4
177.16397	29.2
179.10645	4.1
183.11714	8.9
184.12360	4.5
185.13217	26.9
186.40262	4.2
187.14832	78.9
189.16335	18.4
191.14294	11.4
191.17920	6.1
193.15878	4.7
197.13341	10.2
199.14810	36.6
201.16391	52.2
203.14377	20.1
203.17918	8.5
205.15894	82.8
211.14830	5.5
213.16408	13.7
215.18015	5.1
217.15840	10.3
219.17444	12.0
221.15398	4.7
225.53522	4.0
227.17958	4.3
229.15874	8.8
231.17546	4.2
232.37079	3.7
251.20088	5.5
334.12662	4.1
351.26620	5.1
377.32120	5.5
387.30408	4.8
393.31683	9.2
395.33026	8.9
405.31622	31.5
411.32773	8.8
423.32538	33.8
439.32080	16.3
441.33539	6.3
451.31964	13.6
469.33163	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	505.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64080	1.8
53.03954	10.5
55.01878	3.2
55.05513	24.7
55.98856	1.9
57.03432	9.4
63.25216	1.6
65.03943	4.3
67.05508	68.2
69.03419	2.9
69.07072	14.9
69.30109	1.9
69.92570	9.2
71.05000	3.6
73.06538	2.4
79.05495	90.8
81.03414	13.6
81.07062	51.9
83.04992	19.9
83.08595	8.8
83.43800	1.9
85.06547	5.4
91.05484	77.5
93.07049	100.0
95.04963	27.1
95.08614	41.0
97.06541	9.5
97.10173	4.9
98.21127	5.2
99.08072	3.9
103.05527	2.3
105.04533	3.9
105.07037	55.2
107.04956	8.9
107.08603	23.9
109.06524	8.2
109.10156	12.2
111.08092	3.0
117.07025	12.7
119.08586	35.6
121.06535	5.0
121.10130	8.0
123.08099	10.9
128.06223	4.7
129.07022	22.8
129.07938	3.3
131.08575	7.9
133.10161	12.4
135.11703	6.1
137.09554	2.7
143.08588	12.7
145.10136	19.1
147.08015	3.8
147.11694	55.4
154.62444	2.0
159.11809	2.3
161.09621	6.7
161.13258	17.2
163.11192	5.0
171.11688	43.7
177.12816	2.2
179.14365	5.2
189.12733	19.7
207.13832	51.7
225.14867	5.3
259.20758	2.2
263.16656	2.2
281.17474	75.7
408.47086	1.9
469.29431	3.3
487.30539	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.9
53.03944	9.3
55.01873	2.4
55.05514	21.6
57.03437	7.1
57.07064	1.0
65.03933	4.7
67.05506	72.0
69.03430	1.2
69.07068	13.5
69.07677	1.0
71.04983	4.4
71.57185	1.7
73.06572	2.7
77.03906	1.0
77.21539	1.0
79.05494	100.0
81.03423	11.7
81.07060	53.1
81.07445	0.9
83.04984	15.0
83.08614	10.9
85.06553	3.0
89.32829	0.9
91.04894	2.4
91.05483	77.1
93.07045	93.6
95.04973	26.7
95.08607	33.3
97.06522	8.0
97.10168	3.9
99.08121	1.0
103.05479	2.3
105.04534	3.3
105.07034	54.4
107.04963	9.0
107.08593	22.5
109.06518	9.2
109.10154	7.4
111.08106	2.9
115.05425	1.5
117.07016	13.2
117.94485	1.2
119.08577	33.3
121.06519	4.3
121.10142	6.9
123.08064	8.0
127.07569	2.0
128.06198	4.5
129.07016	26.0
130.07771	1.2
131.08559	5.1
133.06487	1.1
133.10132	11.2
135.08031	2.2
135.11710	3.7
141.06992	1.4
143.08563	13.0
145.10133	14.8
147.08034	4.0
147.11687	49.0
149.09706	1.3
156.09337	2.1
159.11705	1.2
159.16438	0.9
161.09639	6.8
161.13264	16.5
163.11206	4.7
171.11691	39.2
179.14325	2.5
184.09950	0.9
189.12752	20.4
207.13809	46.1
225.14908	7.0
233.15359	1.5
241.19685	1.1
263.16599	2.1
281.17477	70.0
309.16968	1.2
469.29501	1.8
487.30548	66.6
526.14087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
51.71350	1.0
52.52967	0.8
53.03941	1.9
55.01868	3.3
55.05507	6.0
57.03438	5.7
57.41175	1.3
59.04997	3.1
59.79864	1.0
61.02925	1.3
67.05505	7.0
69.03434	15.2
69.07068	10.4
69.32958	2.4
69.33359	8.7
71.04990	8.0
73.02921	12.1
79.05495	6.5
80.69675	1.1
81.03406	2.8
81.07059	13.3
83.04969	3.7
83.08629	4.9
85.02908	20.1
85.06551	3.6
87.04461	1.5
88.30287	1.1
91.05463	4.6
92.00769	1.0
93.07037	15.1
95.04970	5.8
95.08604	15.0
97.02903	15.5
97.06527	9.7
98.20885	3.8
99.04461	3.7
99.08097	2.8
103.05479	1.7
105.07015	8.9
107.04950	1.5
107.08601	12.8
109.02872	3.6
109.06522	8.3
109.10159	10.8
111.04436	1.4
111.08086	1.9
111.11738	1.2
115.03928	5.7
115.07554	3.2
119.08578	11.6
121.06494	1.5
121.10151	9.3
123.08047	7.5
123.11708	20.6
123.12576	1.9
125.06090	1.1
125.09631	2.3
127.03938	7.2
131.08592	2.2
133.04962	4.3
133.06490	1.2
133.10133	21.8
135.08131	1.1
135.11697	20.5
137.05986	4.4
137.09599	5.2
137.13275	1.5
141.09169	1.6
141.12721	2.3
145.04961	6.5
145.10161	1.4
147.04401	2.1
147.08022	1.6
147.11664	4.2
149.09636	4.0
149.13266	16.3
151.07567	2.1
153.01825	2.6
153.12727	2.7
155.10635	1.4
157.10246	1.4
159.11710	1.9
161.09662	1.4
163.06021	1.2
165.09108	2.8
165.12811	2.0
167.07065	1.4
167.14275	1.4
173.13290	1.7
175.07561	1.1
175.11258	1.0
175.14839	20.9
177.09079	1.3
179.06767	1.4
181.05000	1.6
181.08594	1.2
191.14284	1.3
193.12094	1.0
193.15878	24.4
207.10156	1.2
209.15527	1.4
211.16936	100.0
223.06046	1.2
241.06970	2.2
259.07861	1.6
279.08521	1.2
307.26242	1.8
343.15466	1.3
373.22049	1.4
471.17184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03942	5.7
55.01862	3.5
55.05514	12.7
57.03433	8.7
59.04986	5.1
61.02908	2.3
64.49065	2.3
65.03958	2.5
67.05493	15.3
69.03432	23.7
69.07063	21.6
69.60693	5.8
69.61101	8.5
71.04986	13.5
73.02920	16.7
79.05495	14.2
81.03422	10.7
81.07067	36.5
83.01383	2.0
83.04977	9.5
83.08615	10.6
85.02905	40.6
85.06543	5.3
87.04485	2.7
91.05463	17.9
92.32742	2.1
93.07048	26.9
95.04967	13.6
95.08608	39.7
97.02895	27.4
97.05981	2.9
97.06538	27.7
97.10169	2.6
98.20741	3.9
98.21325	6.3
99.04448	5.9
99.08088	4.7
101.17695	2.0
104.83406	2.1
105.07038	26.0
107.04987	3.6
107.08599	34.2
109.02870	7.9
109.06520	20.0
109.10155	25.6
111.08063	6.8
111.11723	4.4
115.03915	7.7
115.05383	2.5
115.07551	3.8
117.07037	4.5
119.04939	9.3
119.08585	35.0
120.08949	2.0
121.06509	4.7
121.10139	22.8
123.08073	16.7
123.11729	15.4
125.06023	4.0
125.09625	6.1
127.03923	14.8
127.07511	2.6
129.07021	2.6
131.08543	10.2
133.04964	8.3
133.06483	3.9
133.10136	53.8
135.08081	6.8
135.11694	34.8
137.05984	21.8
137.09601	12.7
137.13245	4.9
143.08612	3.0
145.05016	9.8
145.06064	1.9
145.06357	1.9
145.10159	8.6
147.04405	23.5
147.11673	8.8
149.05934	2.7
149.09624	6.6
149.13252	24.7
151.07529	4.0
151.11169	4.6
153.01833	3.5
153.12744	5.9
155.10692	3.2
157.10080	4.3
159.11723	8.4
161.05966	3.0
161.09625	6.1
161.13300	3.5
163.06055	2.2
163.07545	3.1
163.11285	4.9
163.14883	4.1
165.05573	2.4
165.09134	10.3
165.12804	4.3
167.07021	5.7
171.11732	2.5
173.13254	4.8
175.14835	54.7
177.05511	3.5
177.09024	3.6
177.12729	2.5
178.04955	3.0
179.10786	2.9
181.04893	4.9
185.13222	5.8
187.14819	6.1
189.09142	3.3
189.12672	3.5
191.14308	4.2
193.15887	77.6
201.12823	2.1
201.16365	4.3
203.14328	6.3
205.15869	3.8
209.15340	4.7
211.16934	100.0
221.08173	2.6
235.16946	3.6
240.84792	2.2
250.90370	2.0
279.08682	5.6
283.09503	2.3
289.25537	2.5
343.15091	2.4
355.86667	2.1
355.95236	2.1
389.26373	2.4
441.33569	7.3
459.34656	25.1
464.11063	2.1
505.27798	3.2
510.76535	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03939	2.2
55.01866	1.0
55.05508	3.3
56.53588	0.5
57.03432	1.2
57.07058	0.9
61.25035	0.5
65.03939	1.6
67.05510	5.2
69.03119	0.7
69.03436	7.5
69.07057	3.3
71.04990	1.5
71.34062	0.7
79.01837	2.6
79.05497	8.9
81.03407	3.4
81.07060	10.9
82.76954	0.5
83.04977	3.7
83.08627	1.2
85.02916	2.6
85.06535	1.3
85.15285	0.5
91.05482	11.4
93.07054	7.5
94.04172	0.8
95.04965	4.1
95.08611	7.3
95.57401	0.6
97.02876	2.6
97.06512	1.1
98.21307	0.8
98.57098	0.6
99.04444	0.8
103.05462	1.1
105.07030	15.1
107.01302	1.6
107.04964	6.1
107.08598	26.0
109.02879	1.4
109.06509	3.8
109.09442	1.0
109.10154	10.6
111.08068	1.2
112.75715	0.5
113.03509	0.9
115.05414	3.2
117.07021	3.6
119.08580	6.6
121.06530	3.3
121.10146	14.2
122.03634	1.5
122.07300	7.5
123.08067	2.5
123.11707	1.6
125.02354	2.3
125.09629	0.6
127.03927	2.9
131.04930	1.0
131.08572	4.8
133.06474	1.5
133.10135	100.0
134.10461	2.1
135.08061	12.1
135.11679	3.0
137.06001	11.7
137.09619	65.6
138.09126	3.4
138.10020	0.5
139.11137	1.1
143.03387	5.0
143.08545	1.7
145.10115	2.7
147.04305	0.8
147.08107	0.7
147.11699	3.9
149.09648	5.2
149.13266	9.7
151.07547	1.3
151.11208	1.2
153.01837	62.3
153.02864	2.9
154.02248	1.0
158.10939	1.8
159.11633	1.2
161.05963	1.5
161.09639	2.1
161.13293	1.6
163.07541	1.9
163.11188	1.3
163.14854	2.1
165.09108	2.2
166.08644	6.8
167.07031	1.0
171.02917	2.1
171.11676	0.7
173.09625	0.6
173.13252	6.5
175.07536	1.7
175.14835	0.6
177.12793	0.7
178.05017	0.7
179.10718	0.8
181.08556	0.8
182.33180	0.6
184.09782	0.9
187.07617	0.8
187.14735	0.5
189.09135	1.2
189.12781	1.0
191.14311	46.0
203.14403	0.9
205.15903	1.1
207.10245	0.8
207.14041	0.8
231.13791	0.7
233.15503	0.6
237.48206	0.7
273.15225	0.6
297.06052	2.3
299.12704	0.6
307.26169	0.9
315.07172	2.6
353.19592	1.6
451.32199	1.1
487.20050	1.2
505.20743	2.6
505.34958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
52.33900	1.3
55.05509	4.3
57.07080	1.3
67.05514	8.7
69.03436	5.9
69.07082	8.3
69.37359	9.0
69.37770	2.9
71.05006	2.6
81.07056	13.1
83.04995	7.1
83.08608	3.5
85.02912	3.8
85.06533	2.7
93.07053	6.7
95.08614	24.6
97.02942	1.8
98.20830	2.1
98.21492	2.9
99.08095	2.8
100.37782	1.1
105.07033	4.4
107.08598	14.9
109.06508	6.9
109.10161	81.1
111.08062	2.0
113.09616	1.9
115.77908	1.2
119.08587	31.9
121.10185	8.0
123.08068	10.8
123.11711	4.9
125.09619	1.5
133.10139	17.0
135.11702	82.2
137.09618	12.2
139.11169	1.6
147.11681	1.4
149.13281	4.6
151.11165	6.3
151.14813	7.8
153.12814	2.1
165.16412	2.7
175.14825	33.9
176.00807	1.1
186.41132	1.4
193.15897	60.5
211.16942	100.0
373.22232	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	503.3368
Annotation	Dianic acid
Peak:m/z	Relative Intensity
55.05519	2.6
57.03432	0.8
57.07066	0.7
67.05518	4.1
69.03432	0.7
69.07061	2.3
69.75948	3.1
75.87446	0.5
79.05494	4.1
81.03398	0.9
81.07062	6.2
83.04985	2.6
83.08632	1.1
85.06544	0.6
91.05483	4.5
93.07056	8.4
95.04954	1.7
95.08605	8.3
97.06528	1.8
98.20778	0.6
98.21325	1.5
98.81515	0.5
101.10238	0.6
105.07037	11.4
107.04972	0.8
107.08598	8.9
109.06532	1.4
109.10155	4.7
111.08069	1.1
115.05549	0.7
115.33446	0.6
117.07039	2.1
119.08591	14.1
121.06487	2.5
121.10142	8.1
123.04465	0.6
123.08083	1.3
123.11723	0.9
125.09631	0.9
129.07021	1.9
131.08562	5.6
133.06528	0.6
133.10147	8.7
135.08086	2.5
135.11713	2.9
137.09642	1.2
139.07527	0.6
141.06996	0.9
142.07803	0.7
143.08627	4.1
144.09375	0.8
145.06552	0.7
145.10139	7.8
147.08083	1.8
147.11655	4.7
149.09608	3.4
149.13304	2.2
153.09081	1.1
155.08592	1.5
156.09363	0.7
157.10127	4.7
158.10870	0.7
159.08063	1.2
159.11687	6.2
161.09651	4.4
161.13252	3.4
163.07417	0.5
163.11224	1.7
163.14813	2.0
165.09105	0.8
167.08621	0.6
169.10143	1.4
169.83160	0.5
171.11702	3.3
173.09688	1.5
173.13268	6.6
175.11244	1.4
175.14868	7.6
177.09308	0.6
177.12852	0.7
177.16411	1.2
183.11717	2.2
185.13240	3.0
187.11180	0.6
187.14810	3.7
189.12785	2.3
189.16388	9.1
191.14343	2.0
191.17967	1.0
197.13237	2.6
199.14848	4.1
201.12831	1.5
201.16470	1.6
201.61906	0.5
203.14375	1.8
205.15845	0.7
211.14845	1.3
213.12747	1.2
213.16434	1.1
215.14359	2.0
215.18074	0.9
217.15868	5.2
223.14821	0.9
229.15916	0.6
229.19533	0.7
231.13892	1.7
235.17015	1.3
249.14880	1.4
253.19536	1.5
255.20825	0.6
267.16006	2.6
271.20746	2.2
315.35239	0.6
340.06631	0.6
373.29858	0.6
391.30063	1.2
403.30167	1.4
409.27145	0.8
421.31097	3.4
431.28943	0.6
437.30396	3.2
439.32083	2.3
449.30276	3.0
457.33313	2.9
467.31650	7.4
485.32999	3.3
503.33737	100.0
504.34177	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	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01868	2.6
55.05514	42.8
57.03442	1.7
57.07077	14.4
59.00980	0.9
65.03937	1.1
67.05511	13.4
69.07071	44.8
69.50141	1.0
71.05019	1.1
71.08638	8.9
79.05497	12.2
80.46593	0.9
81.03422	100.0
81.07064	10.3
83.04982	3.3
83.08624	49.2
85.10165	5.0
91.05479	19.1
93.07050	7.1
95.04974	22.0
95.08602	5.0
97.02911	3.3
97.06512	1.7
97.10180	30.7
98.20785	2.2
98.47132	0.9
103.05470	1.0
105.07034	13.6
105.58832	0.9
107.04963	6.1
107.08599	3.2
109.06500	2.6
109.10165	2.1
111.04432	1.0
111.08093	8.7
111.11726	10.2
115.05438	2.0
117.07012	2.2
119.04956	1.2
119.08588	11.3
121.06525	3.0
121.10151	6.3
123.08139	1.6
125.13279	2.5
129.06999	9.6
129.07788	1.0
131.08580	8.5
133.06509	3.0
133.10165	2.9
137.09657	2.2
142.07813	3.5
147.08061	3.1
147.11722	8.3
149.09645	4.7
157.10153	7.8
165.12747	1.5
175.11180	10.4
193.12251	37.8
195.11597	0.9
231.13835	1.1
237.22234	1.8
249.14931	9.0
322.83194	0.9
343.57343	0.9
466.82523	1.0
503.37338	90.2
504.37485	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	505.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03944	1.5
55.01879	0.7
55.05503	2.2
57.03445	0.4
57.07071	0.8
59.05012	0.5
59.39092	0.4
62.59710	0.4
65.03949	0.8
66.75336	0.4
67.05502	4.0
69.03438	5.9
69.07053	1.8
69.83372	0.8
69.83769	0.9
72.67522	0.3
73.02874	0.3
79.01853	2.9
79.05494	8.0
81.03419	2.1
81.07056	8.9
83.04983	3.2
85.02914	1.7
85.06548	1.1
91.05479	9.3
93.07046	4.1
95.04968	2.0
95.08610	2.8
97.02894	1.6
97.06544	0.6
98.20991	1.0
98.67735	0.4
103.05441	0.6
105.07034	10.9
107.01314	0.6
107.04958	6.3
107.08598	23.2
109.02875	1.0
109.06505	2.9
109.10161	8.2
109.10898	0.5
111.04485	0.6
111.08053	0.5
115.05445	2.1
115.64306	0.3
117.07008	3.4
118.07874	0.7
119.06100	0.6
119.08589	5.0
120.68667	0.4
121.06506	2.8
121.09299	0.7
121.10150	11.8
122.07284	8.1
123.08077	1.4
125.02333	2.2
125.06056	0.4
127.03908	2.7
131.08572	3.7
133.10130	100.0
134.10458	0.9
135.08052	11.0
135.11723	1.2
137.09618	63.5
138.09984	0.7
143.03403	4.5
143.08575	1.1
145.10133	2.3
147.11684	2.5
149.08527	0.7
149.09622	5.7
149.13254	8.6
151.11223	0.7
153.01833	65.3
153.02812	3.1
154.02098	0.4
158.10909	2.4
159.11662	0.7
161.06053	0.4
161.09685	0.5
161.13219	0.5
163.11165	0.6
163.14793	2.2
171.02904	1.7
171.11646	0.7
173.13261	7.9
177.12752	0.5
179.07095	0.6
179.14221	0.4
187.11275	0.6
187.14775	0.4
189.12715	1.2
191.14310	46.5
192.14618	0.5
194.54118	0.4
201.12769	0.9
202.78560	0.4
203.14345	0.6
205.16014	0.5
207.13782	0.5
229.11967	0.4
231.13783	0.8
233.15402	0.7
239.89470	0.4
247.70467	0.3
255.05003	0.6
273.14865	0.7
297.06012	2.7
299.16574	0.4
315.07050	2.8
335.18716	0.9
353.19574	2.2
394.56323	0.4
487.19452	1.7
505.20599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93789	1.4
51.41800	1.5
53.03949	2.3
55.01870	6.5
55.05498	2.1
57.07073	7.5
58.38061	1.4
59.05003	1.7
67.05508	5.4
69.03436	6.8
69.07072	7.6
69.73721	8.9
70.02960	7.1
70.06582	1.8
71.05006	2.0
72.04520	24.6
73.02922	13.0
74.02444	2.5
77.35153	1.4
81.03427	15.5
83.04977	6.4
84.08128	1.6
85.02905	6.0
85.06556	9.0
86.09702	4.1
87.08103	4.1
90.05561	33.6
95.04981	7.8
96.08122	3.2
97.02900	9.7
97.03418	1.5
98.02422	17.5
98.20852	3.5
98.21466	3.0
99.04467	5.3
100.03976	7.3
103.07579	4.0
109.02886	26.8
112.07631	2.6
113.06030	6.2
116.03455	20.0
124.07583	24.4
127.03930	12.4
131.07005	1.6
132.06561	10.2
133.06558	1.4
137.06065	2.0
138.05537	2.8
138.09100	2.6
142.08640	18.1
145.04941	7.7
153.01813	4.4
156.10219	2.6
158.04515	1.9
160.09772	4.4
166.08655	5.7
169.05095	1.7
172.09694	6.3
174.11237	3.8
180.10580	1.5
181.04926	1.9
184.09698	34.7
192.08504	1.9
193.08611	1.8
198.07622	4.2
199.06013	3.4
202.10751	100.0
203.11452	1.9
211.09630	9.8
216.08693	4.3
217.07112	1.9
220.11778	19.7
230.10242	12.0
234.09729	7.9
244.11803	4.4
262.12860	21.6
310.12836	8.4
322.14978	2.2
328.10083	3.4
328.13901	48.1
346.15097	7.4
364.15982	13.8
504.28152	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	502.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11415	0.7
53.03939	1.4
55.01848	0.9
55.05507	1.4
57.03430	1.1
57.07072	1.5
59.05006	5.3
67.05507	1.0
69.03426	6.0
69.07063	1.8
69.44411	5.4
71.04999	1.7
78.98296	0.8
79.01836	1.0
79.05492	2.9
81.03416	7.7
81.07069	4.3
85.02912	4.7
89.03922	4.6
91.05487	1.8
93.07050	5.6
95.04967	1.0
95.08621	1.5
97.02902	4.9
97.05436	0.7
98.21191	3.3
105.07033	2.1
107.01331	1.4
107.04956	1.7
107.08607	4.4
109.02877	4.4
109.10152	1.4
113.02403	1.1
115.03965	0.9
115.11201	1.2
117.03378	6.2
121.10136	1.3
122.06006	0.9
124.07590	1.3
125.02360	2.0
127.03948	5.7
132.04446	4.9
133.04942	1.0
133.10098	0.9
135.04427	13.3
135.11694	4.0
137.05995	1.9
143.03430	2.7
145.02847	6.9
147.04356	0.9
153.01833	67.6
153.12749	11.2
155.47211	0.9
163.03909	71.6
171.02876	7.4
174.02167	0.9
174.31042	0.9
178.05002	100.0
179.05351	0.9
191.16414	3.6
195.12289	1.2
264.55060	0.9
297.05899	4.5
305.23016	1.2
307.08182	3.9
315.07092	13.7
325.09213	2.2
340.10367	6.5
449.18369	1.0
502.23627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32051	0.8
53.03939	1.9
55.01863	1.8
57.03428	3.1
57.68464	0.7
60.97692	0.9
61.02929	2.6
69.03428	17.0
71.04990	5.2
71.56950	1.1
73.02924	1.4
81.02975	1.4
81.03419	22.6
82.42799	0.8
85.02428	1.4
85.02908	18.2
91.05813	1.9
93.46061	0.8
95.96043	0.9
97.02901	6.7
99.04460	6.1
109.02882	2.2
109.47779	0.9
117.05480	1.4
127.03905	3.2
129.35091	0.7
133.07582	3.1
134.06009	1.1
138.89882	1.0
139.03841	0.9
145.04970	1.5
149.09613	1.1
153.01825	2.6
161.07123	8.3
163.08675	5.8
167.05588	1.3
179.08183	1.8
180.90851	0.8
187.51251	0.8
189.06567	6.8
191.08127	5.0
201.06453	0.9
207.07657	100.0
219.07603	1.8
227.10233	2.0
249.08696	2.1
260.09473	1.0
299.06412	1.3
305.11282	2.4
323.12363	39.4
341.13443	91.1
342.13766	1.3
503.26489	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03933	2.3
53.59319	1.0
54.85160	1.2
55.01851	1.3
55.05502	3.0
64.30704	1.1
67.05495	5.8
68.99807	1.4
69.03436	6.5
69.07053	3.0
69.93768	6.0
79.01845	4.6
79.05479	4.8
81.03411	6.1
81.07034	4.2
83.04966	4.0
85.02901	3.0
85.06529	1.7
91.05466	5.0
93.07031	6.1
95.04961	3.0
95.08606	10.9
97.02898	7.2
97.06536	1.7
98.21224	3.3
105.07035	9.0
107.01320	1.9
107.08582	5.1
109.02881	7.6
109.06499	2.2
109.10197	1.7
113.03499	3.0
117.06993	2.2
119.08578	16.2
121.06530	2.4
121.10133	5.1
123.04421	1.4
123.08053	4.9
125.02316	4.2
127.03937	8.0
127.07554	1.4
128.06192	1.1
131.08536	2.0
133.06474	3.2
133.10101	5.0
134.51700	1.2
135.08040	3.9
135.11674	2.8
137.06071	1.3
137.09602	3.3
143.03386	4.6
143.08565	1.9
145.10143	1.3
147.08047	4.3
147.11676	6.7
149.09624	8.7
149.13281	1.3
151.11171	1.7
153.01837	100.0
153.02937	5.9
155.08517	1.8
156.09334	4.3
159.07999	1.7
159.11703	2.2
161.09595	2.9
161.13272	8.9
161.20314	1.2
163.11212	3.8
165.09117	1.3
165.12663	1.5
171.02934	9.3
171.11700	4.9
174.08917	1.2
174.10408	2.5
179.03354	2.4
183.08034	2.5
184.09813	1.3
189.12756	15.0
191.14273	4.1
193.04900	1.6
197.09592	1.6
202.10678	1.7
205.04823	1.7
207.02850	1.8
207.13803	12.8
208.14084	3.8
209.04602	1.8
211.07558	5.0
211.10893	1.2
225.09044	1.5
229.08501	1.6
229.11818	1.8
239.07033	6.5
241.08421	1.5
243.13481	2.8
253.12297	1.3
257.04614	1.2
257.05377	1.4
257.08102	11.3
259.05942	1.7
267.14166	1.4
270.08875	2.0
271.06000	1.5
273.07538	2.3
280.11090	1.4
285.07587	7.1
293.08240	1.9
295.13162	1.7
297.05991	2.4
299.09106	4.7
299.12640	2.8
305.11426	1.4
308.10196	2.2
311.09332	2.3
312.09796	1.7
313.14420	3.1
323.12817	3.5
326.11469	1.8
341.13837	44.6
342.14609	1.3
351.17929	1.4
359.14996	2.5
377.01816	1.4
503.06137	12.4
503.18179	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01873	4.6
55.05517	17.4
57.03428	6.0
57.07069	6.0
61.02914	5.0
67.05500	31.3
69.03428	20.8
69.07073	28.9
69.37080	7.6
69.37487	15.5
71.04991	45.4
73.02897	3.5
79.05505	21.5
81.03420	10.7
81.07057	100.0
83.04971	9.2
83.08617	8.8
85.02901	33.3
85.06553	15.4
86.95509	2.6
87.04485	4.1
91.05476	22.1
93.07051	59.6
95.04961	17.9
95.08041	5.9
95.08609	55.7
97.02888	14.4
97.06544	12.2
97.10170	8.6
98.20847	5.9
98.21460	4.9
99.04438	5.5
99.08084	4.9
105.07033	29.5
107.04966	4.7
107.08601	44.0
109.02884	8.4
109.06512	10.2
109.09455	3.6
109.10162	49.6
111.08101	6.3
111.11752	4.5
111.18291	3.1
113.06004	4.3
117.07000	7.5
119.08585	34.5
121.06480	5.6
121.10146	73.6
123.08080	8.4
123.11710	82.6
125.05992	6.0
125.09621	8.3
127.03967	9.1
127.07568	2.9
127.11176	6.6
129.07011	3.5
131.04977	2.8
131.08557	10.2
133.06470	3.8
133.10138	17.6
135.04407	2.9
135.08075	8.6
135.11690	19.6
137.05998	9.5
137.09552	3.1
139.11179	9.6
143.08560	4.3
145.04979	5.7
145.10130	29.9
147.08099	3.0
147.11667	12.1
149.05869	4.2
149.09624	6.7
149.13298	10.4
151.07568	6.3
151.11180	9.6
153.01865	13.4
153.08972	2.7
153.12744	7.1
155.08582	3.1
157.10112	8.7
159.11687	12.4
161.09651	5.8
161.13281	13.0
163.07556	4.4
163.11201	29.1
164.07054	11.9
165.09111	3.2
165.12724	8.2
169.12233	2.9
173.13239	14.7
174.13631	5.6
175.11194	4.1
175.14853	6.1
177.12701	3.4
178.04988	21.4
181.12236	17.0
185.13197	3.8
187.13286	3.3
187.14824	7.0
191.14336	8.3
193.16003	3.6
199.14877	3.6
201.12692	4.8
201.16464	6.0
203.14348	3.1
203.17984	4.7
205.15857	3.5
213.16389	3.3
217.19537	6.3
221.18956	3.2
229.24878	3.3
267.67465	3.8
269.22873	3.4
284.85291	3.3
287.23633	7.2
299.06195	4.3
305.24695	8.2
323.25830	7.2
338.21432	3.1
503.32266	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2487
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03947	1.1
56.98192	1.2
67.05511	1.1
69.03413	3.5
70.06135	1.1
71.48476	2.2
73.02885	1.4
79.05472	3.3
81.07053	3.7
84.32567	1.1
85.02882	1.7
87.41431	1.1
91.05489	2.5
93.07029	1.6
97.12556	1.4
98.20794	1.1
98.22068	1.1
105.07006	3.4
107.08592	12.2
109.06502	4.3
109.10156	4.7
117.06952	1.5
121.10146	10.0
122.07292	2.5
123.08081	2.2
131.08554	2.7
133.10136	100.0
135.08052	11.3
137.09625	54.1
137.10721	1.7
147.11697	1.2
149.13275	9.6
163.14778	2.5
173.13286	6.9
191.14317	48.3
191.16064	2.3
209.15355	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	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71378	1.2
57.03421	1.4
58.43184	1.2
67.05510	1.6
67.18668	1.1
69.03425	4.9
69.07058	2.5
71.48641	2.4
73.02922	1.6
79.05500	3.0
79.39729	1.2
81.07046	3.8
85.02898	2.9
90.08821	1.3
91.05499	4.4
93.07029	1.8
95.08609	1.5
97.02932	2.5
105.07010	3.8
107.08595	14.5
109.06529	5.7
109.10165	4.7
116.32766	1.3
119.08576	2.1
121.10120	10.0
122.07304	2.1
131.08591	1.9
133.10133	100.0
135.08054	11.9
137.09625	53.6
147.11693	1.6
149.13261	14.1
151.11183	3.1
163.14853	2.8
165.12753	4.2
173.13277	3.1
174.63240	1.3
191.14308	57.1
192.95865	1.5
209.15382	42.6
439.21677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.21357	0.6
55.05500	2.4
56.02191	0.5
56.05041	5.4
57.03418	0.8
60.04528	4.7
67.05499	1.3
69.03430	2.6
71.56682	0.8
79.01855	3.3
81.03420	7.9
81.36275	0.6
82.06581	2.7
83.04970	5.1
84.76430	0.6
85.02910	2.7
86.45011	0.6
97.02911	4.8
100.07620	12.8
101.06020	7.0
107.01318	1.4
109.02897	4.6
109.59837	0.5
110.05990	0.8
111.28774	0.5
125.02384	4.1
126.14863	0.5
127.03925	5.5
128.07111	0.7
129.05515	2.2
133.62943	0.5
142.08647	21.3
143.03416	5.9
145.04976	1.0
146.08125	38.9
153.01833	100.0
153.02814	4.3
154.02185	0.7
170.08107	0.9
171.02901	7.7
188.09184	53.2
253.80666	0.7
255.04764	0.6
259.02475	0.7
277.03445	1.3
290.24414	0.7
297.06000	6.6
303.01447	3.6
315.07111	5.2
376.98279	0.7
394.99277	0.8
502.15295	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23924	1.0
59.04987	1.1
69.03413	3.6
69.07060	2.2
71.01936	2.5
71.04993	9.8
73.06538	2.7
79.01861	2.0
79.05490	3.9
81.03410	5.7
81.07064	14.9
85.02915	5.5
93.07026	8.0
95.08608	2.1
97.02866	2.2
97.06496	1.8
97.10198	1.3
105.06999	1.8
107.01296	1.1
107.08581	8.7
109.02870	5.4
109.10146	2.2
119.08519	1.3
125.02369	2.4
127.03896	8.3
135.11699	11.0
143.03387	3.4
145.06041	1.0
153.01830	100.0
153.12747	57.2
154.13060	1.4
171.02873	12.8
186.33023	1.0
220.11719	1.3
297.06140	5.5
315.07080	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04615	0.7
55.05508	1.1
69.03419	2.8
69.07053	1.6
70.90051	1.4
71.04996	7.6
73.06543	2.6
77.54546	0.8
79.01871	1.4
79.05460	2.9
81.03403	4.3
81.07063	13.2
85.02911	4.4
91.05453	1.0
93.07064	6.9
95.08602	1.6
97.02876	1.9
97.06538	1.1
107.01250	1.0
107.08614	4.6
108.47265	0.8
109.02868	3.7
109.10159	2.0
125.02338	2.3
127.03931	6.3
135.11685	13.1
143.03369	2.3
153.01834	100.0
153.12753	63.8
171.01527	1.3
171.02896	13.5
181.32445	0.7
197.74799	0.8
220.99197	0.9
249.40648	0.8
269.58643	1.0
279.05103	0.9
297.05948	4.2
315.07098	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97987	0.7
51.42667	0.7
53.03941	1.0
55.05509	1.5
57.03453	0.8
57.07075	1.3
59.05003	5.2
64.03801	0.9
67.05490	1.1
69.03418	5.0
69.07064	5.3
71.04989	1.4
71.28107	1.9
74.74022	0.7
77.43719	0.8
78.36845	0.7
79.01851	1.8
79.05482	1.1
81.03427	6.7
81.07046	2.4
81.45520	0.7
83.04992	1.4
84.08141	1.9
85.02895	5.0
86.09679	0.9
87.04462	0.8
89.06033	4.0
91.05474	1.7
92.36967	0.8
93.07042	2.8
95.08601	1.1
97.02872	5.0
105.07063	1.9
107.01299	1.7
107.08585	4.0
108.36404	0.8
109.02901	5.1
109.10152	1.8
115.03963	1.5
119.08587	1.7
121.10117	1.1
125.02352	3.0
127.03937	6.3
130.08675	2.5
133.05006	0.8
133.08594	1.5
133.10179	0.8
135.11705	5.4
138.55553	0.8
139.67978	0.8
143.03418	4.2
147.04472	1.2
147.08043	0.8
153.01834	100.0
153.12753	8.7
163.04024	0.8
165.12790	1.4
171.02904	10.6
191.16426	2.8
195.12299	3.9
205.12334	1.0
224.82986	0.8
261.14835	1.3
279.16043	1.0
297.05997	4.6
305.23291	3.8
315.07129	20.0
502.22485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3578
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
55.05498	18.2
57.65653	5.5
61.40878	4.8
67.05497	28.9
69.07047	14.7
69.60758	26.3
73.66951	5.9
79.05488	19.8
81.07058	43.2
83.08604	9.3
85.93095	5.3
91.05475	25.1
93.07052	31.4
95.04981	9.1
95.08600	51.0
96.79852	5.6
97.10148	6.7
105.07034	45.9
107.08619	47.8
109.10149	24.3
111.59954	6.2
117.07052	9.3
119.08597	57.3
121.10123	30.1
123.08047	6.4
123.11693	9.1
131.08537	25.7
133.10149	36.9
134.10504	7.7
135.08080	8.2
135.11687	6.7
143.08614	10.0
145.10135	39.1
147.11703	37.1
149.13257	20.7
157.10152	17.0
159.11728	19.7
161.13254	8.4
163.07491	16.6
163.14822	16.5
171.11717	12.0
173.13263	72.9
175.14842	100.0
185.13354	9.0
187.14867	20.8
189.16417	18.9
191.14346	45.8
199.14835	8.1
201.12749	26.0
201.16379	13.1
203.14226	12.9
203.17973	72.0
205.19482	13.9
219.13803	10.0
224.44415	6.9
233.15388	38.9
235.16962	47.5
247.16980	9.0
249.18643	14.4
251.16428	52.4
259.16934	7.6
346.46320	6.1
377.31921	10.4
395.33029	11.3
423.32327	17.1
430.24417	5.8
437.34079	16.9
455.35205	19.4
483.30588	8.1
501.31085	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01870	0.4
55.05513	0.5
60.51981	0.3
61.02930	0.3
69.03447	2.0
71.04996	0.8
71.16737	0.5
74.71595	0.3
76.37454	0.3
79.05489	1.4
81.03424	3.5
81.07055	0.8
85.02913	2.0
89.03922	4.8
93.07044	1.1
95.04961	0.6
95.08645	0.5
97.02894	1.2
99.04461	0.6
104.05004	1.3
105.07060	0.7
107.04985	1.7
107.08620	1.1
109.02877	2.5
113.02390	1.6
114.02801	0.3
117.03385	6.3
119.08618	0.3
121.06482	0.3
121.10181	0.4
122.06035	0.6
125.02397	0.5
127.03925	1.8
132.04466	4.9
132.14531	0.3
135.04425	12.2
135.11696	1.0
143.03435	0.8
145.02855	8.4
145.10127	0.4
146.10495	0.3
147.04477	0.4
153.01839	13.4
153.12787	2.4
160.03973	0.4
163.03914	74.7
164.04222	0.8
169.08669	0.6
171.02878	1.8
178.05005	100.0
179.05334	0.9
181.04970	1.3
192.11069	0.4
210.12097	0.3
228.13190	0.5
297.06021	0.9
307.08191	3.8
315.07156	2.5
325.09161	2.0
340.10336	7.0
455.31659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06989	0.5
53.07216	0.5
63.02363	0.6
69.03413	0.7
71.56930	0.5
71.84343	0.4
76.29721	0.5
81.03405	0.6
83.11075	0.4
85.02909	0.8
87.04501	0.5
89.03919	4.7
90.05552	0.9
91.05466	0.8
91.58894	0.4
97.02890	0.7
98.06030	1.9
98.21061	0.5
109.02879	1.0
117.03384	17.5
122.05956	0.5
125.10736	1.3
126.09142	6.8
134.03644	0.6
135.04442	1.0
137.05997	2.1
143.11797	4.0
144.10229	1.2
145.02853	57.0
149.05980	6.4
150.05507	1.8
153.01830	1.7
161.12836	1.6
163.03865	0.8
166.05020	1.3
169.09700	1.4
177.05475	100.0
202.10709	0.6
234.11252	35.5
235.02492	0.7
283.10773	0.9
288.08530	0.6
301.11871	1.4
319.12885	3.7
319.16632	3.7
320.14990	1.3
337.17517	5.6
396.16391	3.1
482.19983	0.5
499.22900	40.0
511.75742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2822
Annotation	(-)-Conglobatin
Peak:m/z	Relative Intensity
66.91635	0.7
67.05508	1.0
69.07037	0.6
69.65535	2.2
69.65959	2.1
81.07056	0.7
91.05479	1.1
93.07092	1.1
95.08607	0.9
98.20750	1.2
105.07016	0.7
107.08583	0.6
109.10184	0.8
109.25914	0.7
119.04926	0.9
121.10115	0.8
131.18074	0.6
147.04410	4.3
159.72575	0.8
459.44012	0.8
499.28198	100.0
500.28552	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	501.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85054	0.8
53.03952	0.7
55.01874	0.7
55.05519	0.6
57.03425	1.0
59.04996	1.0
61.02917	1.2
65.46486	0.6
69.03432	5.4
69.07070	0.6
71.04990	0.7
71.23406	1.0
72.10223	0.5
73.02907	2.2
79.05490	0.7
81.03391	0.8
81.07050	0.7
83.04971	2.0
85.02903	11.3
85.29621	0.6
91.05517	0.9
93.07020	1.6
95.08601	1.0
97.02881	4.1
105.07048	7.1
107.08579	1.8
109.02859	1.8
117.07006	0.9
119.04948	1.3
119.08572	5.3
121.06502	1.1
121.10141	2.5
127.03905	2.3
131.08571	1.1
133.06506	2.1
133.10121	2.4
135.08121	0.6
137.05943	1.5
143.08530	2.4
145.04977	2.8
145.10133	7.2
147.08089	2.2
147.11716	2.3
149.13194	0.8
153.01810	1.5
154.16473	0.7
156.09323	1.6
157.65758	0.6
160.08807	1.9
161.09621	4.8
161.13226	2.0
163.11192	32.6
171.11661	3.9
173.13272	1.0
175.11237	0.7
189.12747	22.7
191.14310	20.9
201.05399	0.7
204.93964	0.6
207.13812	100.0
208.14162	1.9
305.08124	1.2
337.10632	1.0
351.17914	0.8
369.19131	22.0
408.55566	0.6
501.25589	1.2
528.47137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01854	0.9
55.05509	2.4
57.03432	2.0
60.02066	0.8
61.02920	1.3
61.18811	0.7
65.03925	0.8
67.05497	2.0
69.03083	0.8
69.03436	13.4
69.07055	3.3
69.44255	7.2
71.05014	1.0
73.02916	2.8
73.06545	2.9
74.65104	0.7
79.05489	7.1
81.03419	2.0
81.07053	2.3
83.04988	7.3
83.08636	0.8
85.02911	7.4
91.04007	1.0
91.05462	3.9
93.07042	2.9
94.42029	0.7
95.04974	2.3
95.08605	2.2
97.02873	3.8
97.06501	1.2
103.05455	2.4
105.07032	7.3
107.04956	1.5
107.08601	8.1
109.02869	1.2
109.06512	2.1
115.03934	0.8
117.07045	1.3
119.08579	6.1
121.06506	15.4
121.10121	4.3
123.08058	4.0
127.03926	3.2
131.08553	3.7
133.06496	100.0
133.10103	6.0
134.06834	1.5
135.08055	8.1
135.11743	1.3
137.05984	2.8
143.08533	1.6
145.04973	2.5
145.10098	2.5
147.08067	3.4
147.11681	2.8
148.08871	0.8
149.09628	2.7
149.13338	0.9
151.07558	1.5
153.01804	1.2
158.10919	3.0
159.08041	1.7
161.09607	2.2
161.13246	1.0
163.11183	24.0
173.13292	5.0
174.10475	1.4
176.12000	1.2
177.09074	0.9
189.12746	37.6
191.14314	84.4
192.14606	1.5
207.13809	72.9
208.14243	1.4
238.27931	0.8
240.11725	0.8
255.84828	0.8
351.18024	2.0
369.19257	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	501.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01869	2.8
55.05507	8.3
57.03436	2.5
57.07071	4.0
57.67084	1.8
61.76168	1.8
65.03952	2.0
67.05504	12.9
69.03436	13.3
69.07069	10.3
69.99354	5.6
69.99770	3.0
71.04996	4.0
77.46627	1.7
79.05487	16.5
81.03407	7.0
81.07059	24.5
83.04978	5.4
83.08611	2.9
85.02900	8.0
85.06532	6.8
91.05482	12.3
93.07054	16.3
95.04963	8.3
95.08599	13.8
97.02892	6.7
97.06519	5.6
97.10171	3.0
98.21109	4.9
99.04472	5.8
99.08073	2.5
99.86225	1.8
105.07021	28.3
107.04958	5.6
107.08591	29.1
109.02838	3.6
109.06551	8.8
109.10142	16.6
111.04455	2.2
111.08093	2.5
113.03495	1.9
113.05988	5.4
115.05484	2.5
117.07011	4.8
119.08600	17.0
121.06490	5.7
121.10154	21.7
122.07333	4.2
123.08078	5.3
123.11724	5.0
125.06021	3.1
125.09664	2.6
127.03925	6.7
129.06992	2.4
131.08583	6.1
133.06490	4.9
133.10138	100.0
135.08061	10.6
135.11710	7.6
137.05980	6.3
137.09615	56.8
139.11203	3.2
143.08588	5.2
145.06558	2.7
145.10144	11.0
147.08038	3.3
147.11710	7.8
149.09645	2.5
149.13252	11.7
151.11191	3.2
153.01823	2.6
153.12724	2.7
157.10144	3.7
159.08115	1.8
159.11726	4.6
161.09636	10.9
161.13327	2.4
163.11229	8.9
163.14833	4.0
165.09146	2.1
167.10706	1.8
171.11661	3.0
173.09625	2.1
173.13283	7.0
175.07567	2.2
175.11227	2.8
175.14760	2.6
177.09169	2.3
179.10677	5.1
181.12350	1.8
183.11783	2.3
186.52858	1.8
187.11198	1.9
189.09137	2.6
189.12788	2.3
191.14319	49.3
201.12724	2.4
207.10225	2.2
211.10980	2.9
303.23184	4.9
321.24155	2.9
351.14392	5.0
351.71432	1.9
372.92462	2.1
409.19470	2.1
445.75098	1.9
501.18561	3.1
501.30298	7.0
525.53381	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.4
69.03420	4.6
70.98383	1.4
72.24941	1.5
79.01852	1.8
81.03422	5.3
81.07066	1.8
84.17871	1.6
85.02908	5.5
92.04989	2.3
96.08140	5.1
97.02892	5.7
98.21042	1.7
107.61638	1.6
109.02934	3.4
117.03346	2.3
124.07558	5.4
126.09142	12.2
127.03925	3.9
138.09154	1.9
143.03473	2.7
145.02852	4.2
152.07074	26.3
153.01837	42.1
163.03903	3.4
166.05011	57.4
171.02916	4.5
176.03427	9.4
177.05453	9.8
182.04483	9.3
194.04539	5.7
199.08656	2.7
212.09253	3.0
215.08188	2.8
225.10239	1.9
227.11723	4.0
229.13298	2.5
233.09181	2.5
234.11319	3.1
235.02531	2.2
240.08946	3.3
243.65215	1.6
253.09764	2.4
255.11313	4.5
257.09344	2.1
257.12967	1.8
259.07135	2.9
261.12305	2.6
263.84143	1.7
270.09818	1.9
271.10785	10.3
273.12360	3.4
283.10797	40.4
288.11124	2.0
289.11752	6.0
293.08234	2.0
301.11816	30.7
319.12900	100.0
379.08447	2.4
463.17178	1.7
499.22815	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	4.6
69.03428	2.1
69.48529	1.1
69.91109	6.2
81.03413	2.0
85.02906	3.5
88.27763	1.4
92.05022	5.8
96.08121	4.2
97.02921	2.3
98.46501	1.3
109.02898	2.0
122.05996	1.5
124.07581	4.1
126.09141	11.3
127.03939	2.4
138.09134	3.5
145.02853	4.0
150.05489	4.3
152.07068	34.3
153.01830	18.5
153.20299	1.4
163.03853	1.3
166.05006	52.6
171.02859	1.7
176.03384	9.9
177.05473	8.1
182.04509	8.4
184.09933	2.2
194.04517	4.7
199.08691	1.8
200.10846	1.6
206.08455	1.1
209.10779	1.9
212.09370	3.0
225.10214	1.3
227.08014	1.5
227.11797	4.4
228.10146	2.4
233.09282	1.9
234.11218	3.3
240.08958	3.0
241.09633	1.9
253.09779	5.2
255.11244	6.2
257.09216	3.4
257.12784	1.6
259.07108	2.4
261.12265	1.8
270.10153	1.6
271.10751	10.4
272.09079	1.7
273.12238	3.2
283.10779	50.1
289.11838	6.1
293.08228	3.1
298.87567	1.3
301.08401	2.2
301.11804	38.0
319.12891	100.0
379.08328	5.4
499.22931	3.1
516.14301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66841	1.4
65.03937	1.9
69.03423	3.5
69.26414	6.4
69.26841	8.0
76.66587	1.3
79.05508	2.2
81.03445	1.3
85.02901	3.3
92.05010	2.5
96.08160	3.7
97.02902	2.4
98.20933	6.1
103.21645	1.3
107.44583	1.5
114.00806	1.7
120.42992	1.4
122.05969	1.9
123.04468	2.0
124.07570	3.8
126.09141	9.1
137.06006	3.0
138.05652	1.4
138.09123	3.4
148.03854	3.3
152.07076	27.4
153.01830	2.4
155.35767	1.3
166.05011	51.5
176.03400	7.3
177.44661	1.4
182.04524	10.5
194.04567	8.0
199.08655	2.1
200.10841	1.7
212.09293	1.8
225.10298	1.9
226.10832	1.7
227.11865	1.9
228.10176	1.7
233.09225	2.8
240.08966	2.7
243.11182	2.0
247.02118	1.6
253.09836	3.6
255.11258	3.5
257.09137	2.5
257.13110	1.6
271.10818	8.9
283.10776	42.9
289.11890	6.0
301.11841	36.0
319.12897	100.0
365.25980	1.4
390.12161	1.4
423.13913	1.5
499.16956	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.9
55.05522	1.3
57.03440	12.9
57.07097	1.1
57.19932	1.2
58.38063	1.3
59.05005	1.6
61.02931	8.5
67.05505	3.6
69.03435	25.3
69.07071	18.9
69.83002	1.0
70.06587	2.2
70.93033	1.8
70.93339	1.8
71.01362	3.8
71.04987	3.0
72.37241	1.0
73.02920	46.4
75.04469	1.5
77.47633	1.3
79.05488	1.8
81.03426	6.5
81.07057	16.7
83.04990	1.9
85.02908	54.0
87.04465	4.7
91.03954	2.1
93.07084	2.1
95.04962	3.7
95.08623	4.6
97.02897	45.6
98.06075	1.3
98.21117	1.7
99.04471	4.1
103.03948	1.7
105.07044	2.2
107.08582	5.5
109.02876	11.1
109.06544	1.5
109.10161	12.0
115.03931	22.0
119.04922	1.2
119.08608	1.3
121.10124	2.5
122.54250	1.1
123.11712	100.0
124.12090	1.7
127.03928	23.7
127.07607	1.4
131.41069	1.1
133.04973	25.3
133.10167	1.9
141.12750	1.5
144.06580	1.5
145.04967	24.4
145.64688	1.2
147.04420	4.4
151.03914	4.4
151.11194	34.3
152.04257	2.2
153.01823	8.1
163.06009	9.7
169.05046	1.5
169.12245	32.0
183.06505	1.5
193.04938	1.8
199.06143	1.8
201.07568	2.0
219.06516	1.3
219.08534	1.2
223.06096	4.0
241.07083	5.0
247.13223	1.5
259.08075	5.9
265.07010	1.3
265.14447	2.1
283.15411	19.2
295.10355	3.2
301.16364	6.5
313.16418	2.4
401.46207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.05508	13.0
57.03434	12.7
57.07077	5.4
58.06604	12.3
59.07389	2.6
60.08154	8.4
65.03952	3.0
67.05506	59.7
69.07076	17.4
71.04984	4.1
71.07381	3.0
71.57532	3.9
74.02503	2.4
79.05499	33.5
81.07056	74.2
83.04973	9.4
83.08630	13.9
85.02908	2.5
85.06538	5.7
86.09689	12.3
87.04498	3.0
87.10019	4.2
91.05477	17.6
93.07047	57.7
95.04933	5.2
95.08608	22.7
97.06556	9.2
97.10181	3.1
99.08092	3.3
104.10748	21.2
105.07047	8.2
105.11095	7.8
107.08591	30.0
109.06495	2.7
109.10188	3.6
111.08091	9.6
117.07031	9.4
121.06494	2.8
121.10165	14.0
124.99982	6.0
131.08577	8.7
133.10158	6.1
134.85999	2.3
135.11707	9.9
149.13251	36.5
152.94905	2.4
157.10101	2.8
158.99986	2.4
159.11728	14.5
177.12755	4.3
182.11732	2.5
184.07362	21.0
185.07666	7.4
186.07800	3.5
195.13797	16.2
213.14845	2.6
236.14934	51.4
242.20868	2.6
269.17477	82.7
303.89563	2.6
463.24084	5.4
463.30548	100.0
480.36386	10.9
498.38300	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89403	0.9
70.05279	5.4
71.08543	0.9
73.93649	1.1
74.14966	1.0
79.31857	1.2
82.99846	2.2
85.02901	1.5
91.60621	0.9
94.99883	1.5
98.20805	1.6
98.21362	2.1
101.00883	19.1
101.11820	1.0
103.02441	3.5
113.00850	6.0
115.02470	1.3
119.01918	28.0
121.03485	2.3
127.02409	13.7
129.03978	2.1
131.01910	17.3
133.03479	2.4
136.52753	1.2
137.02937	2.2
139.02414	4.3
143.01898	28.5
145.03470	52.9
147.01385	3.1
147.05045	1.7
149.02957	2.5
155.01903	36.2
157.03482	20.7
160.02693	1.1
161.02969	21.8
163.04527	4.5
167.01910	12.5
169.03494	6.5
171.01389	8.5
171.05038	3.1
173.02966	51.5
175.04550	4.4
177.35904	1.1
179.01950	4.7
181.03517	1.2
183.01382	2.6
185.02963	51.7
187.04498	8.3
189.02458	8.2
191.04031	2.8
193.01936	1.6
196.04538	1.4
197.02963	20.0
199.00891	6.1
199.04515	3.2
201.02455	3.1
203.04016	16.4
209.02982	3.2
211.04506	2.1
212.50060	1.1
215.04062	9.7
217.01952	62.2
221.05083	5.7
227.03993	12.4
229.01962	11.6
235.02980	19.6
239.03947	2.5
239.06265	2.2
241.01964	1.5
245.05074	100.0
246.05339	3.0
247.02969	14.0
247.06725	2.5
257.05081	13.8
258.04846	1.4
262.78409	1.1
263.06174	12.4
265.04083	2.4
275.06137	13.3
277.04059	21.1
293.07178	6.3
295.05215	1.1
301.04074	12.3
302.67154	1.3
305.07111	9.9
307.08771	2.0
317.07068	1.1
319.05109	30.6
335.08188	4.6
337.06128	32.6
365.09229	13.2
379.07275	1.2
383.10358	2.0
499.11185	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47430	2.9
53.03932	11.9
55.01869	4.9
55.05510	22.4
55.82752	2.7
57.03439	34.0
57.07079	3.9
61.02646	3.5
61.02932	67.7
65.03945	7.3
67.05173	5.9
67.05507	100.0
69.03430	37.5
69.07063	22.7
69.89184	9.2
69.89593	5.9
71.01352	7.0
71.04980	6.0
73.02928	29.3
73.87286	3.0
76.17680	3.2
79.05495	69.0
81.03407	25.1
81.07060	99.9
82.07404	3.9
83.04973	7.5
83.08623	9.3
85.02906	67.6
87.04482	5.3
91.03410	3.7
91.03957	42.5
91.05485	49.5
93.07050	69.1
95.04965	12.5
95.08604	74.2
97.02895	54.2
97.06544	6.4
97.10155	4.4
98.20882	7.4
98.21424	3.1
99.04461	12.6
101.02380	16.2
103.03927	12.3
105.07032	34.2
107.04954	5.2
107.08587	33.2
109.02863	12.3
109.06510	6.9
109.09566	3.1
109.10176	36.7
111.04440	6.3
115.03930	4.7
117.07021	14.2
119.08588	24.5
121.10147	33.7
123.08031	3.5
123.11703	13.4
127.03928	19.2
129.07005	8.7
131.08569	22.2
133.06439	2.8
133.10120	24.9
135.08046	4.6
135.11682	25.5
141.07016	3.3
143.08646	4.3
145.04948	8.3
145.10136	16.1
147.11722	15.9
148.29413	3.5
149.09607	3.4
149.13263	17.5
157.10120	5.0
159.06505	4.4
159.11665	19.1
161.09627	4.2
161.13245	15.2
163.11157	3.5
163.14886	6.1
171.11655	6.4
173.13252	14.7
175.14803	8.5
185.13351	4.4
187.14796	3.2
243.21077	5.8
261.22141	22.9
299.81808	3.2
335.25815	76.9
351.23282	5.2
363.25015	3.3
369.24115	6.0
386.88861	2.9
405.25974	3.8
436.10226	3.0
443.27811	3.4
461.28430	4.9
479.29794	4.6
497.31003	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29377	2.4
53.03950	11.4
55.01868	7.5
55.05511	23.2
57.03438	29.5
57.07057	3.3
61.02928	81.6
65.03935	3.6
66.11334	2.2
67.05507	100.0
69.03080	2.5
69.03432	46.4
69.07075	22.4
69.46762	15.8
71.01357	4.7
71.04989	10.6
73.02918	41.7
74.42453	2.2
75.04469	3.3
75.85503	2.1
79.05496	57.9
81.03425	23.9
81.07056	90.8
83.04991	6.3
83.08613	10.6
85.02909	82.0
85.06536	5.6
91.03960	49.1
91.05481	37.6
93.07049	75.0
95.04967	7.4
95.08608	70.8
97.02894	62.1
97.06528	6.3
97.10151	5.7
98.21221	9.5
99.04439	9.0
101.02360	16.1
103.03946	11.5
105.07036	30.9
107.08601	35.0
109.02888	12.1
109.10157	31.7
111.04458	4.5
111.08071	4.3
115.03900	5.4
117.05490	3.3
117.06995	11.4
119.08577	25.7
121.10148	30.9
122.31258	2.5
123.04472	2.7
123.08022	3.4
123.11731	12.7
127.03912	22.3
129.05472	6.0
129.06929	3.6
131.08572	21.8
133.10136	16.2
135.08067	2.6
135.11696	19.1
137.09625	3.1
137.13246	3.0
141.06931	2.4
143.08566	4.7
145.04958	12.2
145.10138	13.2
147.11717	14.2
149.13223	12.0
151.11136	2.3
157.10005	3.6
159.11737	12.3
161.13269	11.9
163.14870	4.5
169.10094	2.7
171.11722	4.4
173.13260	11.7
175.14847	5.0
177.16371	2.8
183.06519	2.9
185.13322	3.0
187.14798	8.6
201.07634	3.8
243.21027	5.6
259.20450	3.4
261.22070	16.0
293.20865	2.7
327.23193	3.3
335.25818	84.7
336.25897	2.5
363.25525	5.2
479.30063	5.0
497.31079	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	495.3316
Annotation	Makisterone B
Peak:m/z	Relative Intensity
55.01876	3.1
55.05512	10.2
57.03438	1.6
57.07079	8.2
59.04988	1.4
63.69920	0.7
65.03963	1.0
67.05507	19.1
69.03443	2.8
69.07066	14.4
69.07405	1.3
70.46017	1.9
70.46359	1.5
71.05012	2.3
73.06567	1.0
79.05489	10.8
79.90671	0.9
81.03434	5.0
81.07058	29.1
83.01345	21.3
83.05003	3.4
83.08622	6.8
85.02912	1.6
85.06531	4.8
91.05477	8.9
93.07047	18.0
95.04971	4.6
95.08605	19.0
97.02914	2.5
97.06546	1.8
97.10201	2.7
98.20951	1.5
98.21519	0.8
99.04453	1.0
99.08119	1.7
105.07031	9.5
107.05013	2.6
107.08594	11.9
109.06545	3.6
109.10154	12.4
111.04503	1.2
111.08102	1.7
111.11710	0.9
119.04983	1.3
119.08559	6.2
121.06513	1.8
121.10143	8.0
123.08142	1.6
123.11701	8.4
125.06065	0.8
125.09691	2.2
129.01857	7.0
129.07045	2.2
131.08589	3.2
133.06494	1.6
133.10135	4.1
135.04413	11.7
135.05223	0.9
135.08107	1.9
135.11658	5.2
137.06004	2.4
137.09618	1.9
137.13300	3.5
139.03949	1.5
143.08620	1.7
145.10187	2.1
147.08083	4.1
147.11740	2.8
149.09662	1.3
149.13249	4.3
151.07558	1.2
153.05467	7.8
157.04959	2.1
157.10170	2.5
159.11749	1.9
161.09677	3.1
161.13266	0.9
163.03922	3.3
163.07562	1.2
163.11224	2.1
163.14911	1.7
167.07085	2.3
169.05061	1.3
173.13336	0.9
175.07684	1.4
175.11185	3.7
177.12769	0.8
177.16362	1.0
179.10750	1.1
181.04959	33.5
183.06593	2.3
185.09659	1.1
187.11205	0.9
189.09200	2.3
191.07283	1.0
191.10677	1.1
193.08847	1.0
193.12332	3.2
195.06529	29.3
199.06021	47.7
203.10774	2.9
207.06480	4.0
209.08124	9.0
209.11920	1.0
211.13335	1.8
215.14346	0.9
217.08678	1.4
221.08028	3.8
222.07672	1.3
223.09651	15.7
223.11588	1.1
231.10260	2.4
235.09657	4.8
237.11203	24.9
249.11212	35.0
251.12910	3.6
261.11429	1.7
263.12756	5.5
265.14548	1.3
275.12805	1.3
277.14435	2.0
289.14539	1.9
291.16049	3.2
293.17639	2.3
303.15942	1.9
305.17459	5.7
307.19238	2.8
317.17636	3.3
319.19275	2.4
331.19232	0.8
359.22345	1.4
375.25311	4.5
385.23901	2.5
389.27240	1.5
403.24802	12.2
441.29968	9.4
444.12805	0.8
459.31107	48.9
477.32187	100.0
478.32642	1.7
495.33398	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	496.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01882	9.1
55.05507	1.7
57.03411	1.5
57.07069	5.8
61.02947	1.3
62.40216	1.3
67.05500	5.2
69.03428	10.7
69.07075	9.2
69.51395	9.4
70.02961	7.6
71.04998	2.8
72.04143	1.8
72.04520	23.5
73.02920	11.9
74.02416	1.4
81.03417	15.6
83.04981	7.5
85.02914	9.5
85.06543	6.2
86.09691	5.0
87.08109	2.8
88.26659	1.3
90.05564	28.4
95.04980	8.1
96.08112	3.1
97.02898	13.1
98.02420	18.2
98.21022	4.7
99.04453	6.9
100.03979	6.9
103.07601	2.6
109.02201	2.4
109.02887	24.8
112.07642	1.6
113.06013	5.5
115.03901	1.6
116.03450	24.5
117.04858	1.3
124.07593	24.7
126.05550	1.6
127.03920	10.0
130.08701	2.7
131.07036	2.0
132.06554	9.7
132.10202	1.8
136.47119	1.3
138.05577	2.1
142.08638	18.1
143.03432	1.5
145.04953	9.6
153.01834	7.4
156.10217	1.8
160.09756	8.6
166.08629	5.6
167.07079	1.8
172.09695	4.5
174.11266	5.3
176.40021	1.3
181.04941	2.9
181.08565	1.8
184.09688	34.2
187.06100	1.5
198.07643	4.7
199.06064	3.8
202.10753	100.0
203.11555	2.8
206.66058	1.2
211.09668	9.2
213.69635	1.3
216.08669	6.2
217.07164	2.6
220.11789	15.8
230.10277	11.7
234.09721	9.1
238.07204	1.3
244.11804	3.0
244.78441	1.4
256.48074	1.4
262.12854	21.7
303.01270	7.4
305.81927	1.3
310.12842	9.4
321.57709	1.3
328.13907	69.9
346.15039	13.4
364.15988	22.0
366.14114	8.9
478.19211	17.7
496.02264	3.8
496.20480	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.19221	0.2
55.05511	0.4
56.05042	1.3
57.03438	0.6
57.07073	3.3
58.06583	1.4
59.07384	0.5
60.08165	17.8
63.92958	0.3
67.05499	0.8
67.80869	0.2
69.07081	0.6
70.03230	1.1
71.07374	7.0
71.08633	1.7
81.07047	0.7
83.08636	0.7
85.10183	0.9
86.09705	51.2
95.08606	1.6
98.21219	0.7
98.98468	3.7
104.10745	100.0
105.11076	0.6
109.10177	0.5
125.00006	28.7
143.01080	0.3
163.01553	0.5
176.03133	0.3
181.02771	0.3
184.07341	95.3
185.07736	0.6
222.75113	0.2
229.23808	0.2
258.11121	1.2
313.27426	1.9
315.36487	0.3
342.98605	0.3
380.44711	0.3
419.25668	0.7
478.32965	8.5
496.33963	26.1
497.33914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0928
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
53.79827	0.5
55.01878	0.6
56.15032	0.5
61.02930	8.3
62.89391	0.5
68.99782	1.3
69.03417	1.8
70.82498	1.3
73.02903	1.9
81.03398	1.0
85.02905	5.4
91.03954	3.6
95.04974	0.5
97.02907	3.5
98.21135	0.6
109.02862	1.0
127.03905	1.3
139.00246	0.5
139.03903	2.0
145.04947	0.6
153.01825	6.4
163.03957	1.1
165.01820	1.3
169.01341	9.1
171.02821	0.5
179.03392	0.7
181.01346	2.9
185.00836	0.7
187.03944	0.5
191.03355	1.0
193.05058	0.6
197.09558	0.4
201.01689	0.6
205.04982	0.9
207.02950	0.5
215.03415	2.0
219.02901	1.0
233.04425	2.0
243.02899	1.2
247.02386	0.7
261.04092	4.0
271.02390	0.9
279.05011	0.8
289.03375	3.7
317.02863	1.7
335.03976	100.0
336.04260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.29428	0.5
54.48058	0.7
55.05514	0.9
65.03959	1.3
67.05498	2.7
69.03429	3.5
69.07071	48.7
69.98339	1.4
69.98754	2.3
79.05472	1.8
80.05012	0.7
81.03400	2.3
81.07059	3.7
85.02908	6.9
91.05459	0.9
91.15763	0.6
92.04984	1.3
93.07007	1.1
94.06567	3.3
95.04955	0.7
95.08632	1.0
95.24570	0.6
97.02880	2.6
97.06533	7.0
98.21088	1.5
104.07000	0.6
105.07021	1.9
109.02872	1.2
109.06541	0.8
111.97098	0.7
121.05260	0.7
121.06517	0.9
122.06026	6.3
123.04379	0.9
124.07591	0.9
125.06002	0.8
127.03896	1.5
131.07361	0.8
133.06519	0.8
137.05956	2.9
138.05495	3.9
140.07100	5.3
144.08060	0.9
145.05064	0.7
145.08876	1.9
146.09679	2.8
148.03894	0.8
150.05511	57.1
151.05870	0.8
153.01843	1.8
157.08858	1.9
160.07570	0.7
161.08388	4.0
162.09132	2.5
165.04218	0.8
166.05011	16.7
167.07036	0.8
168.06529	1.3
172.07553	1.0
172.11218	2.2
173.08353	1.4
174.09254	0.8
174.12761	3.7
176.03450	3.9
178.04980	2.1
185.08392	1.2
186.09123	0.7
190.08701	0.9
190.12291	5.9
194.04494	1.6
200.07013	0.7
200.10767	4.9
202.12292	4.9
206.65210	0.7
213.10123	0.9
216.10184	3.6
218.08310	1.4
218.11765	20.3
226.08707	1.2
228.10258	13.0
234.11310	3.9
241.09630	0.8
243.11386	1.3
244.09744	1.1
245.12865	2.1
246.11276	17.7
255.11363	0.7
256.09674	1.2
257.09177	1.1
261.12421	0.9
262.10626	0.9
271.10709	3.5
272.09167	2.8
273.12396	2.9
274.10861	2.1
287.10294	6.7
289.11826	7.2
290.10120	2.4
291.13568	1.0
299.10263	4.0
317.11310	30.5
318.09570	1.3
335.12381	100.0
336.12595	1.7
497.17828	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	495.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70443	1.3
53.03939	1.4
54.21131	1.2
55.05510	10.2
57.07077	100.0
57.37312	1.1
67.05507	10.0
69.03416	1.5
69.07067	16.1
71.04980	2.6
79.05491	11.4
81.07057	24.7
83.04977	1.6
83.08631	8.6
85.06545	72.9
91.05466	7.2
93.07050	15.9
95.04939	2.2
95.08608	18.3
97.06516	5.1
97.10176	5.0
98.21114	6.3
99.08123	1.2
105.07044	12.2
107.04971	3.3
107.08582	16.7
109.06515	15.5
109.10153	15.1
111.04452	2.3
111.08079	1.5
111.11747	1.8
117.06997	3.9
119.08586	12.5
121.06541	3.2
121.10143	13.6
123.08079	2.6
123.11715	11.2
125.05997	29.6
127.11186	3.4
128.07155	1.3
130.07774	1.2
131.08572	4.5
133.10141	12.7
135.08076	5.4
135.11693	7.8
137.06059	1.4
137.09616	1.4
137.13261	3.8
139.07584	2.5
141.05470	2.7
143.08563	2.7
145.10130	8.6
146.65024	1.1
147.08011	3.2
147.11662	4.9
149.06012	2.0
149.09624	8.6
149.13335	3.0
151.07524	2.3
151.11110	1.5
153.05466	13.3
153.09108	2.5
157.10172	2.1
159.08162	1.4
159.11699	6.2
161.09622	4.7
161.13268	3.5
163.07556	10.3
163.11177	8.3
165.09114	7.3
167.10764	2.4
173.09616	2.1
173.13255	2.3
175.11215	3.2
175.14890	1.7
177.09132	42.1
177.12770	4.3
177.16351	1.6
177.61772	1.2
178.09882	8.0
179.10680	4.9
187.11244	1.6
187.14815	1.5
189.12810	1.3
191.10663	12.1
191.14369	1.7
193.12294	2.4
203.14267	1.2
205.12198	2.6
207.13864	1.8
209.11771	3.1
219.13736	1.4
221.15367	2.0
223.13318	1.9
223.89671	1.2
237.14769	1.8
237.18391	1.4
237.83617	1.2
247.16998	1.9
275.20145	1.7
281.17465	3.2
287.78696	1.1
295.19070	2.5
305.24530	1.8
307.26401	1.2
311.71417	1.3
321.27948	1.6
325.91077	1.4
331.22589	2.1
331.26352	4.2
333.23987	1.8
345.31564	3.5
349.27423	15.7
359.25540	5.7
359.29770	1.8
371.29367	1.8
373.31046	14.6
387.32620	10.3
388.29749	16.6
389.30469	23.2
391.32318	1.4
397.31161	3.7
405.33603	11.2
415.32016	14.9
431.31528	14.4
433.33127	58.2
434.33276	1.8
477.32040	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08477	1.3
53.03943	1.3
55.05516	11.5
57.07079	100.0
67.05504	12.8
69.07073	18.7
69.71819	2.9
69.72214	7.2
71.04966	2.0
71.08615	2.3
77.69772	1.1
79.05498	9.9
81.07059	21.3
83.04978	3.1
83.08624	7.5
85.06548	76.1
87.08073	1.5
91.05508	7.8
93.07062	17.8
95.04975	1.8
95.08619	18.5
97.06516	4.5
97.10172	4.3
98.20971	3.4
99.08095	1.5
101.18478	1.2
105.07033	8.9
105.15031	1.2
107.04986	3.1
107.08086	1.1
107.08605	14.1
109.06530	14.2
109.09553	1.6
109.10176	14.7
111.11705	1.8
117.07027	3.5
119.08599	10.2
121.06503	4.1
121.09394	2.1
121.10153	16.6
121.63602	1.3
123.08092	2.4
123.11695	10.0
125.06002	37.1
125.09606	1.7
127.11173	3.5
129.74660	1.2
131.08603	6.2
133.06465	1.5
133.10135	13.2
135.08035	5.8
135.11705	10.5
137.09641	3.4
137.13280	4.3
139.07565	2.5
142.07796	1.4
145.10117	7.5
147.08067	3.1
147.11682	6.0
149.05945	1.7
149.09636	7.9
149.13266	4.9
151.07510	2.7
151.11124	4.3
153.05498	16.0
153.09145	2.9
155.07024	1.4
157.10245	1.9
159.11703	5.7
161.09596	4.8
161.13257	3.0
163.07518	9.8
163.11259	6.5
163.14801	2.0
165.09154	6.6
167.06985	2.1
167.10712	1.4
173.09621	1.6
173.13258	2.7
175.11250	3.8
175.14827	2.7
177.09122	37.5
177.12712	2.1
177.16330	1.7
178.09885	7.5
179.10695	7.1
187.11171	2.0
191.10675	9.7
191.14259	2.0
193.12247	2.8
195.10211	2.1
203.10664	1.4
205.12222	1.5
205.15735	2.0
209.11685	2.0
219.13753	2.8
233.15334	2.3
235.16945	1.6
237.14740	1.8
247.16916	1.9
261.18781	1.4
265.17966	2.1
268.11829	1.4
279.19519	2.0
281.17407	3.8
293.21115	1.6
295.19022	3.3
305.24872	1.7
307.26349	1.6
315.22952	1.6
331.26300	5.8
345.31271	2.0
349.27432	15.9
359.25763	4.5
359.29663	1.6
373.31094	15.9
387.32779	10.0
388.29599	11.6
389.30460	22.8
397.30960	3.7
405.33652	10.0
413.30203	2.6
415.32050	13.9
415.86368	1.6
431.31577	17.7
433.33148	60.5
433.39102	3.0
456.11298	1.8
477.31909	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	495.2954
Annotation	Herkesterone
Peak:m/z	Relative Intensity
53.03932	7.6
55.01877	28.6
55.05513	42.5
57.03443	13.6
57.07087	9.8
57.07322	2.2
59.05007	2.2
61.02931	2.0
65.03943	3.2
67.05507	100.0
69.03437	8.8
69.07072	29.7
69.91621	8.3
70.04199	2.3
71.01349	2.7
71.04972	8.3
73.02895	6.1
74.96133	1.6
79.05067	3.8
79.05497	67.5
80.06264	4.0
81.03425	16.9
81.07060	97.1
82.04179	6.9
83.01330	2.0
83.04984	23.5
83.08627	22.8
84.02077	2.0
85.02888	7.2
85.06541	6.1
91.05486	49.3
93.06468	3.7
93.07050	74.6
95.04969	21.7
95.08607	30.7
97.02876	5.0
97.06538	22.5
97.10180	9.9
98.07308	8.4
98.21205	5.2
99.08099	3.1
105.07031	22.6
107.04953	5.6
107.08597	41.3
108.12817	1.8
109.06533	9.6
109.10149	18.7
111.04441	6.4
111.08096	10.8
113.06024	3.3
117.07034	15.1
119.08575	13.7
121.06515	3.6
121.10142	26.0
123.08082	7.1
123.11723	5.0
125.09662	11.9
127.07630	2.4
127.11182	2.5
129.05440	1.7
129.06993	6.0
131.08575	18.4
133.06407	1.8
133.10158	17.7
135.08058	5.1
135.11707	13.3
137.09596	5.0
145.10106	6.2
147.08025	2.0
147.11671	11.6
148.12471	4.3
149.09608	4.8
149.13254	38.4
153.12700	2.5
157.10143	5.9
157.78571	1.7
158.05760	7.8
159.11691	14.4
161.13188	2.2
163.11177	9.4
165.12747	3.6
167.14349	2.6
171.06544	13.2
173.11705	2.0
175.11182	2.6
177.12740	6.5
181.12247	3.5
185.08185	3.5
189.11269	3.1
191.10641	3.7
193.12216	7.3
195.13831	13.3
197.04440	4.0
198.04781	2.7
199.05009	2.6
199.13313	4.9
209.11755	6.8
211.13333	6.2
213.11115	2.4
213.14958	1.9
213.17706	2.1
227.12790	8.2
228.13680	2.2
255.15906	5.5
267.15903	3.5
269.17584	14.2
283.15399	8.5
285.10110	2.4
295.19080	2.7
309.20383	1.9
323.18704	10.8
323.22012	3.3
334.26050	2.2
337.20004	2.0
351.21509	4.2
365.23331	2.2
394.26901	2.3
406.72891	2.1
423.27466	9.8
449.28702	2.5
477.28720	7.9
478.29105	5.2
495.29474	61.4
496.29495	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	495.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05514	11.9
57.03431	1.6
57.07078	100.0
65.03919	1.5
67.05512	11.9
69.07069	17.7
71.04974	2.1
71.08613	2.7
73.06565	1.3
79.05499	14.1
81.06635	2.3
81.07062	28.1
83.01352	1.8
83.04979	3.9
83.08611	9.3
85.06548	70.4
91.05482	10.3
91.11381	1.4
93.07044	19.3
95.04982	1.7
95.08611	22.7
97.06546	1.6
97.10145	5.5
98.20851	5.9
98.21529	3.3
104.29651	1.5
105.07042	11.0
107.04956	4.1
107.08599	19.7
109.06515	16.9
109.10169	12.6
113.06033	1.7
117.07008	6.7
119.08581	12.0
121.06480	5.0
121.10143	17.4
123.08040	3.1
123.11718	9.1
125.05989	34.1
125.09596	1.9
127.11176	2.7
131.08551	6.5
133.06496	1.9
133.10124	12.4
135.08066	5.6
135.11725	11.6
137.05952	2.5
137.09590	1.8
137.13243	4.5
139.03922	2.8
139.07544	3.0
141.05435	2.3
143.08565	2.9
145.10152	7.5
147.08032	4.0
147.11639	5.7
149.06046	2.2
149.09610	9.8
149.13272	4.3
151.07506	3.9
151.11151	2.4
151.14807	1.6
153.05498	14.0
155.07057	2.0
157.10197	1.9
159.08092	1.3
159.11673	6.3
161.09616	4.8
161.13222	2.7
163.07549	10.9
163.11172	6.7
163.14879	2.3
165.09161	7.4
167.07042	3.1
167.14328	1.5
171.11746	1.9
173.09586	3.0
173.13202	2.9
175.11201	3.5
175.14882	1.9
177.09117	36.0
177.12672	3.0
177.16385	1.7
178.09969	8.7
178.11360	1.4
179.10657	5.6
185.13231	1.4
187.14955	1.6
189.12756	2.2
189.16426	1.6
191.10674	9.9
193.12238	3.3
199.11258	1.4
205.12262	1.7
209.11757	3.4
215.17998	1.8
219.13850	1.6
223.16980	1.5
247.17064	1.9
251.16360	1.6
261.18439	2.4
281.17444	4.1
295.19113	5.1
305.24689	2.2
331.26239	4.7
333.24139	2.5
345.31866	1.6
349.27371	13.7
359.25674	4.7
373.31018	18.5
387.32660	8.6
388.29614	14.6
389.30426	20.7
397.31158	2.4
405.33688	14.8
413.30228	3.2
415.32153	18.0
431.31415	15.4
433.33151	62.4
477.31918	5.5
495.34146	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61506	0.8
53.03939	4.8
55.05512	25.9
57.03191	1.0
57.03440	16.9
57.07060	1.6
59.04982	1.7
65.03928	3.7
67.05506	39.3
69.03427	7.8
69.07068	12.8
71.04998	10.9
73.02900	1.0
79.05493	44.4
81.03419	91.2
81.07058	54.8
83.01334	1.9
83.04980	20.9
83.08621	35.5
85.02908	49.7
85.06544	5.4
87.04453	1.0
91.05484	51.7
93.07047	32.3
94.86542	0.9
95.04970	43.8
95.08605	19.6
97.02892	6.3
97.06530	6.7
97.10159	8.2
98.20983	5.5
99.04478	2.1
99.08086	2.3
100.11254	1.6
100.60694	0.8
103.05461	1.0
105.07029	39.9
107.04971	11.1
107.08599	16.5
109.02910	1.1
109.06522	12.0
109.10170	7.7
111.04437	5.1
111.08087	16.1
113.06021	4.1
115.05465	3.2
117.07027	4.3
119.04915	1.4
119.08585	28.9
120.72381	1.0
121.02885	2.6
121.06501	4.4
121.10156	15.7
123.08090	5.6
123.11684	6.0
125.05981	2.0
125.09592	5.2
127.03931	10.2
127.07558	1.2
128.86029	1.0
129.06999	16.8
130.65829	0.8
131.08578	21.1
133.06467	6.3
133.10141	17.5
135.04428	1.0
135.08061	2.8
135.11691	3.0
137.05991	2.0
137.09595	3.9
137.13249	1.2
142.07771	3.5
143.08537	1.7
145.06467	1.5
145.10141	5.1
147.04413	1.1
147.08069	5.2
147.11691	22.3
149.09613	12.0
149.13245	1.3
151.07539	1.9
151.11168	1.8
153.01813	1.0
153.05406	1.5
155.08560	1.3
157.10126	19.8
159.11525	1.1
161.09599	2.7
163.11183	3.2
165.09007	1.1
165.12759	5.8
167.07011	2.5
171.11656	1.0
173.09799	1.3
173.13332	1.0
175.11192	22.1
177.12701	0.9
181.04961	3.3
189.09140	2.0
189.11192	1.0
191.14302	1.4
193.12248	86.6
194.12450	1.2
195.06346	1.7
199.06047	2.9
203.10651	1.2
207.06468	0.9
207.13876	0.9
211.13292	100.0
212.13651	1.5
219.13834	3.7
223.09659	1.2
227.12762	1.3
229.14240	1.1
249.11145	1.2
251.50729	0.9
259.15424	2.3
267.15894	9.3
285.17007	3.6
290.85736	0.8
293.17392	1.7
295.20062	0.9
304.32022	1.1
340.63986	0.9
357.24384	1.1
359.21942	1.7
367.22583	1.9
385.23651	2.9
403.24777	2.5
441.30298	1.8
459.25793	1.2
459.30911	5.1
477.28699	6.3
495.29468	77.9
496.29654	3.2
496.97281	0.9
497.04486	0.9
503.27963	1.0
503.58115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01857	3.8
55.05507	23.5
57.03180	1.4
57.03436	15.9
57.07086	1.0
59.04981	1.1
62.24480	1.1
65.03930	3.4
67.05500	34.2
69.03415	4.8
69.07066	7.9
69.40389	9.8
71.04984	8.0
79.05059	2.1
79.05495	37.5
81.03415	86.2
81.07054	36.8
83.04980	17.7
83.08617	32.0
85.02901	44.1
85.03334	0.7
85.03426	1.7
85.06504	2.6
86.97517	1.0
87.04436	1.4
91.05478	47.4
93.07041	23.9
95.04966	36.5
95.08598	14.6
97.02873	4.2
97.06510	5.5
97.10184	5.4
98.21072	4.5
105.07027	33.2
105.07752	1.4
107.04951	8.8
107.08600	10.6
109.06541	6.0
109.10121	5.1
110.47025	1.3
111.04421	3.9
111.08080	15.3
113.05994	3.0
115.05486	2.2
117.07026	2.6
119.08575	28.0
121.06521	2.3
121.10157	13.4
123.08074	3.4
123.11701	4.0
125.09612	2.1
128.06192	1.9
129.06996	15.7
131.08546	14.7
133.06468	4.4
133.10129	13.0
135.08057	1.4
135.11676	1.6
137.09583	1.5
137.72020	1.1
138.94223	1.1
142.07764	5.5
143.08540	1.4
145.10143	2.4
147.08032	4.8
147.11687	19.9
149.09612	7.4
154.89262	1.1
157.10121	22.6
163.11140	2.1
165.12769	5.5
175.11186	23.2
181.05042	1.9
193.12239	81.9
195.06499	1.7
198.28992	1.0
198.92946	1.0
199.06021	1.8
211.13286	100.0
212.13574	1.7
217.11501	1.2
237.11217	1.5
249.11137	2.0
267.15952	8.1
285.17001	4.6
367.22495	1.5
385.23703	2.5
459.31464	1.9
477.27765	2.8
477.32135	3.6
495.29468	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	495.1134
Annotation	Annulatin 3'-glucoside
Peak:m/z	Relative Intensity
61.02924	5.8
69.03439	2.0
69.90897	4.3
73.02937	1.0
79.05486	1.1
81.03416	1.7
81.07067	2.4
85.02906	6.4
86.56503	0.8
91.03963	3.1
95.02527	0.9
97.02905	3.2
98.20953	1.9
105.07011	1.7
109.02886	3.4
112.50272	0.8
137.02391	1.6
139.60910	0.8
145.04926	0.9
151.19073	0.8
153.01840	6.7
153.12756	3.6
161.09608	0.9
173.55807	0.7
174.67513	1.0
205.04988	1.0
206.05762	1.0
208.03679	2.2
211.10773	2.2
216.04271	1.2
219.02820	6.4
233.04454	3.6
234.05191	2.3
244.03641	2.3
245.04485	2.2
247.02573	0.9
261.03989	2.1
273.04074	0.9
289.03406	2.9
290.04276	3.6
301.03326	2.6
317.99963	2.0
318.03720	39.4
333.06049	100.0
334.06302	1.4
345.06296	0.9
370.42804	0.8
399.51871	0.9
495.01886	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	495.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03936	2.3
55.01860	1.6
55.05506	1.8
56.60418	0.5
57.02930	0.4
57.03436	0.6
59.04997	0.7
67.05492	2.4
69.03436	5.7
69.07068	2.1
69.71370	3.2
71.04987	1.2
73.02902	0.6
79.01854	3.7
79.05497	5.6
81.03418	9.1
81.07063	4.7
83.01343	0.5
83.04977	1.3
83.08630	0.8
85.02907	4.1
85.06541	1.1
86.09717	0.5
91.05485	4.9
93.07037	6.6
95.04959	1.5
95.08620	1.9
97.02882	5.9
97.06559	2.5
98.20747	1.1
98.21362	1.1
99.04446	1.8
105.07034	4.5
105.32762	0.6
107.01312	1.0
107.04964	1.2
107.08596	4.1
109.02881	5.8
109.06480	2.4
109.10168	1.4
111.04425	0.9
117.07014	2.3
119.08585	4.5
121.02861	0.6
121.06524	2.5
121.10160	5.5
123.04444	0.8
124.04007	0.6
125.02376	4.1
125.06036	0.9
125.09679	0.8
127.03924	7.5
127.04945	1.2
130.07840	0.9
131.04930	0.8
131.08514	1.1
133.06494	1.1
133.10136	3.2
135.08073	1.4
135.11693	1.8
137.02350	1.1
137.05991	2.7
137.09593	0.7
143.03415	5.0
145.04974	0.6
145.10101	5.1
147.04416	1.6
149.09662	0.7
151.03917	1.7
151.07559	1.0
151.11221	0.8
153.01837	100.0
154.02185	2.5
159.11740	0.6
161.09631	2.2
163.03990	0.7
163.11209	10.6
167.07092	0.9
168.44875	0.5
171.02908	9.1
171.04257	1.0
177.05461	1.0
178.04987	0.5
181.04893	0.5
181.12238	12.9
189.09166	0.9
191.10866	0.8
195.02867	0.6
198.39746	0.6
209.15375	0.8
209.21219	0.7
219.13763	0.7
230.41699	0.5
241.17523	0.5
273.11557	0.6
297.06018	7.9
303.01297	2.5
315.07202	4.5
316.07187	0.5
333.05960	1.7
451.38663	0.6
491.79584	0.6
495.02090	4.1
495.18408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05516	26.4
55.21791	1.3
57.03439	16.8
57.07061	1.4
59.04998	2.7
65.03928	4.4
67.05505	52.6
68.05822	1.2
69.03441	8.9
69.07069	12.6
70.75483	2.7
70.75842	2.3
71.01337	1.9
71.04993	9.8
74.59485	1.3
79.05493	52.2
81.03419	91.2
81.06577	2.9
81.07057	58.3
83.04987	25.2
83.08130	2.7
83.08622	38.3
85.02905	52.1
85.06546	3.9
87.04429	1.2
91.05483	56.9
93.07049	30.9
93.39232	1.3
95.04976	42.1
95.08603	21.1
97.02911	7.0
97.06521	9.1
97.10186	6.3
99.04429	1.9
105.07033	41.7
107.04956	10.7
107.08590	16.3
109.06535	7.5
109.10157	7.2
111.04440	5.2
111.08076	16.7
113.06022	4.5
115.05453	3.6
117.07017	4.9
119.06094	1.3
119.08580	34.0
121.06538	2.1
121.10159	20.7
123.08083	4.0
123.11713	5.3
124.86857	1.3
125.06001	1.5
125.09602	3.1
129.07018	18.0
131.08574	19.7
133.06517	3.3
133.10146	17.6
135.11682	3.6
137.09593	3.0
137.13158	1.4
142.07785	4.7
143.08583	1.5
145.10141	4.3
147.08055	5.4
147.11693	23.2
147.96175	1.5
149.09607	10.5
149.13318	3.9
157.10135	19.0
159.11664	3.6
161.09601	1.6
163.11180	2.1
165.12782	5.8
175.11197	24.5
183.09755	1.3
193.12244	90.5
197.04497	3.9
211.13300	100.0
227.12848	1.8
267.15936	7.9
267.41321	1.1
285.16876	5.2
359.22391	1.5
403.24591	1.7
459.27115	2.6
477.28360	6.4
495.01810	1.7
495.29523	76.5
496.29794	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	495.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37872	0.4
53.03936	0.8
65.03947	0.6
71.37103	0.6
71.37465	0.9
77.03930	0.6
80.15679	0.5
81.03421	6.9
95.01344	1.5
98.21220	0.8
109.02884	14.3
120.02110	0.6
121.02875	0.8
133.02867	1.6
137.02342	11.5
137.03400	0.7
139.03902	0.7
141.07033	0.6
149.02330	0.8
151.03955	0.6
151.91937	0.5
155.49931	0.5
162.03096	0.8
163.03934	0.5
165.01845	8.6
166.02646	1.4
166.08412	0.5
167.03397	1.0
173.02385	1.0
177.01843	1.1
179.04968	0.5
189.01837	2.2
190.02641	1.6
192.99673	1.0
193.01341	13.1
194.02087	0.8
195.02898	17.5
195.04596	1.0
197.05960	0.6
201.01758	2.5
204.22360	0.4
207.04532	1.1
209.06035	0.9
217.01347	2.0
218.02144	0.7
219.02716	0.6
225.05515	1.5
229.01334	2.5
231.02802	1.0
235.03941	1.3
237.05516	1.6
245.00848	1.8
246.01567	1.1
247.02364	1.9
253.05000	2.3
257.00772	5.9
259.02567	1.0
263.03613	2.4
265.05005	2.0
268.48734	0.5
273.00281	3.5
275.01627	4.5
276.02649	0.6
281.04520	4.5
285.00266	5.5
291.03027	2.3
292.02243	1.0
293.04504	1.3
295.02197	0.6
297.03967	0.7
299.02002	1.2
300.99799	5.7
302.00543	10.1
303.01346	57.1
304.01770	1.5
309.04025	2.0
311.01804	0.5
313.03769	0.6
315.01382	3.4
319.02435	2.2
321.03857	1.1
327.04962	0.8
328.99387	0.8
331.02356	1.1
337.03442	8.6
339.01474	1.6
341.02884	1.3
347.01913	3.6
349.03448	1.8
351.01407	1.3
352.99295	0.9
355.04245	1.1
359.01660	1.1
365.02914	10.0
366.03259	0.6
375.01242	2.7
376.02243	0.9
377.02841	1.9
383.04196	0.9
387.01248	1.2
392.01392	0.5
392.95490	1.2
393.02341	10.2
403.00845	4.1
405.02655	2.5
407.00146	0.5
411.03506	0.5
415.00995	0.7
421.01941	6.5
427.69766	0.6
431.00342	3.4
433.01968	0.7
439.02982	2.7
449.01501	2.0
451.03119	0.5
467.02585	1.2
477.00842	3.6
495.01953	100.0
496.02365	3.1
508.95047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01881	0.6
65.03944	0.4
67.01859	0.5
69.03432	1.2
70.06594	0.5
71.04984	0.7
71.55262	0.4
81.03416	7.3
85.02917	0.9
85.21343	0.4
93.03397	0.7
95.01318	1.7
105.03389	0.5
109.02877	14.4
113.22334	0.5
121.02881	0.8
123.04421	0.5
133.02835	2.3
134.06007	0.8
137.02345	11.2
139.03929	0.7
147.04471	0.6
149.02350	1.0
151.03969	1.0
153.01833	1.6
161.02399	0.8
162.03154	0.8
163.05643	0.5
165.01849	8.0
166.02626	1.2
167.03459	1.3
173.02351	0.7
177.01871	0.7
181.06606	0.9
181.67444	0.4
189.01799	2.2
190.02632	0.9
191.03415	0.5
193.01335	13.3
194.02107	1.5
195.01099	0.9
195.02898	18.1
197.06006	0.6
201.01903	2.6
203.03299	0.5
207.04533	0.9
209.05888	0.5
213.01863	0.6
217.01370	1.6
218.02126	0.7
219.02811	0.6
221.06171	0.5
225.05495	1.2
229.01363	1.7
231.02917	1.0
235.03937	1.2
237.05476	1.5
241.01416	0.5
245.00847	1.8
246.01590	1.3
247.02406	2.1
253.04971	2.8
257.00845	5.6
259.02368	1.1
263.03394	1.6
265.04984	1.8
267.02802	0.5
273.00284	4.4
275.01746	4.5
281.04425	3.8
283.06055	0.5
285.00302	5.0
290.92950	0.6
291.02808	2.0
293.04410	1.7
295.02701	0.6
299.01971	1.0
300.99799	5.7
302.00546	7.4
303.01337	48.7
304.01614	1.3
307.02567	0.6
309.03848	3.2
313.03430	0.7
315.01373	3.1
319.02444	1.7
321.03922	1.6
323.01834	1.0
327.04984	0.6
328.99390	0.6
331.02316	0.8
336.99646	0.9
337.03427	9.8
339.01306	1.2
341.02762	0.9
347.01999	2.3
349.03363	2.2
351.01465	1.1
352.99261	0.7
355.04398	1.3
359.01910	0.7
365.02896	9.8
375.01392	2.4
376.02148	0.8
377.02991	2.2
379.00833	0.5
383.04007	0.9
387.01422	1.2
393.02399	11.8
395.04135	0.6
403.00885	3.0
405.02414	2.1
407.00391	0.7
411.03687	0.6
415.01105	0.7
421.01889	7.2
422.02499	0.7
431.00433	3.3
433.01770	0.7
439.02878	3.8
449.01300	4.1
451.02985	1.0
459.00299	0.5
467.02142	2.2
477.00888	3.7
495.01938	100.0
496.02267	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96815	0.9
53.03946	4.8
55.01853	1.7
55.05262	1.7
55.05512	22.0
57.03236	0.9
57.03442	10.3
57.06790	0.9
57.07079	49.7
65.03931	3.6
67.05508	66.8
67.15969	1.0
69.03431	1.1
69.06716	1.6
69.07070	24.4
69.95896	4.9
71.01360	5.1
71.04994	4.4
71.08633	35.8
73.02914	1.1
79.05497	38.4
81.03426	8.3
81.07062	44.9
82.07376	1.2
83.04990	9.8
83.08622	18.0
85.02892	1.2
85.06533	3.4
85.10185	20.4
88.95334	0.9
91.05479	20.2
93.07048	45.8
95.04975	6.1
95.08612	41.5
96.54862	0.9
97.06526	9.9
97.10182	12.9
99.04446	1.4
99.08084	1.4
99.11747	1.5
105.04533	2.0
105.07040	4.9
107.04935	2.3
107.08598	30.6
108.87431	0.9
109.02840	1.2
109.06500	1.8
109.10158	20.4
111.04477	2.2
111.08070	3.3
111.11734	3.2
115.05443	1.8
117.07021	4.7
119.08609	6.5
121.06448	1.4
121.10136	6.2
123.11716	8.4
125.09598	1.9
125.13274	2.2
131.08595	2.0
133.10146	4.0
135.11697	53.0
136.12054	1.0
137.09648	1.6
137.13228	2.0
145.10129	11.1
147.11710	1.5
149.09726	1.1
151.14825	1.5
153.12793	1.9
157.10170	1.3
159.11711	1.2
163.11122	5.6
175.11211	1.2
181.05000	1.4
181.12253	10.2
193.12291	3.4
199.13315	2.2
211.13293	1.4
239.23691	12.0
304.27243	1.0
313.27417	1.4
346.92838	1.2
387.85684	1.1
417.03015	1.2
493.09811	2.1
493.38907	100.0
494.38943	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	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	1.5
55.05266	1.8
55.05516	21.8
57.03439	8.9
57.07081	47.0
62.60218	0.9
65.03942	1.2
67.05509	61.8
69.07072	19.9
69.40993	4.3
69.41412	5.0
71.01350	3.2
71.04989	3.2
71.08636	36.1
79.05495	41.5
81.03420	4.4
81.06580	1.9
81.07059	40.4
83.04986	10.2
83.08627	17.1
85.06538	3.4
85.10185	19.6
91.05487	19.7
93.07053	41.7
95.04987	5.6
95.08614	37.9
95.09233	1.5
97.06542	7.3
97.10179	17.7
98.20983	4.4
99.08113	1.5
99.76987	1.1
105.07045	4.4
107.04960	1.8
107.08601	27.9
109.09443	1.8
109.10162	23.6
111.08064	1.9
111.11748	3.1
117.07027	4.4
119.03675	1.0
119.08599	4.9
121.06493	1.2
121.10149	6.9
123.11724	6.2
125.13298	1.8
126.13388	1.0
127.14706	1.0
133.10153	4.4
135.08084	1.7
135.11702	49.0
137.09668	1.5
137.13295	3.9
145.10117	11.2
161.09598	1.2
163.11154	8.4
181.12277	10.4
189.59984	1.2
199.13303	2.2
203.92084	1.2
212.72433	1.0
239.23674	10.0
313.27298	1.9
493.38922	100.0
494.39447	3.2
509.87384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03942	3.9
55.01850	1.0
55.05515	18.4
57.03434	7.0
57.07079	51.7
65.03925	2.7
67.05507	60.4
69.03427	1.0
69.07071	22.0
70.05706	4.3
71.01358	5.1
71.04995	3.9
71.08231	1.1
71.08633	33.1
79.05497	39.2
81.03429	9.1
81.07062	38.6
83.04993	6.9
83.08623	16.8
85.06533	3.5
85.10188	15.9
91.05482	16.1
93.07047	49.7
95.04977	6.9
95.08614	33.0
97.06541	10.1
97.10167	15.8
98.21066	2.6
99.08118	1.2
99.11740	1.1
105.07030	5.2
107.04936	1.7
107.08598	28.3
109.02874	1.3
109.06504	1.5
109.10158	22.7
111.08079	2.1
111.11731	2.8
117.07030	5.5
119.08608	6.1
121.06544	1.8
121.10155	5.9
123.11706	5.4
125.09627	1.7
125.13194	1.2
130.07750	1.4
131.08505	1.0
133.10135	2.8
135.11696	51.6
137.09665	1.5
137.13277	3.0
139.07532	1.0
143.08511	1.3
145.10124	9.4
151.14825	1.5
153.12730	1.9
163.11189	6.2
164.14388	0.9
165.16406	1.6
181.12238	11.3
193.12138	2.2
199.13306	3.1
211.13599	1.4
221.22743	1.5
239.23706	11.7
245.79990	1.0
266.39655	0.9
288.71002	1.1
307.26086	1.1
436.17551	1.2
493.38922	100.0
494.39136	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	493.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01876	2.5
55.05508	6.4
55.86478	0.9
57.03429	2.4
57.07074	1.5
61.46249	1.1
64.43586	1.0
65.03931	1.6
67.05505	14.1
69.03435	4.8
69.07085	5.6
71.05001	2.2
71.56438	1.5
79.05490	10.8
79.84545	1.0
81.03425	5.9
81.07059	18.3
83.01340	1.3
83.04987	6.1
83.08609	2.9
85.02857	1.3
85.06539	3.2
90.16712	1.0
91.05478	14.1
93.07053	13.5
94.04185	2.9
94.14557	1.0
95.04966	8.0
95.08605	22.9
97.06528	3.0
97.10172	2.7
99.04504	1.6
99.08132	1.3
103.05464	4.1
105.04563	1.1
105.07040	13.4
107.04944	4.5
107.08600	10.3
109.06516	4.3
109.10157	15.6
111.04463	2.0
111.08081	2.1
111.11813	1.5
115.05449	1.0
117.07000	2.6
118.53035	1.0
119.04936	4.2
119.08559	6.1
121.02835	2.3
121.06513	3.4
121.10152	7.5
122.03630	6.0
123.04433	1.7
123.08078	11.6
123.11699	6.9
125.05965	1.9
125.09630	2.8
128.06200	1.3
129.07010	3.1
129.09125	1.9
131.04881	5.6
131.08575	3.4
133.06471	2.3
133.10133	4.7
135.04433	1.7
135.08015	5.8
135.11736	3.4
137.05975	60.4
137.09621	4.3
139.07535	2.8
139.11186	2.8
145.06503	3.0
145.10146	4.7
147.04417	2.0
147.08139	1.5
147.11684	4.3
149.05963	2.5
149.09605	3.3
149.13261	1.9
151.07542	100.0
151.11079	2.1
152.07915	2.5
153.01805	2.1
153.05571	1.4
153.09056	1.1
154.08606	2.2
155.07164	1.1
155.08626	1.6
155.10706	2.3
157.06509	1.8
157.10098	2.1
159.08051	1.5
159.11617	1.1
161.05981	2.7
161.09627	2.3
163.07535	11.4
163.11198	4.3
165.06927	1.5
165.09126	7.9
166.07765	1.2
167.07063	5.9
167.08553	3.7
167.10739	1.0
168.56860	1.1
171.11679	1.7
173.09563	1.2
173.13246	1.1
174.06767	2.0
175.07532	2.7
175.11159	1.4
177.05585	1.5
177.09113	3.2
179.10706	1.2
181.05032	2.1
181.06413	1.3
182.07281	1.2
183.76587	1.1
187.07568	1.6
189.09087	7.1
189.11134	1.8
191.10663	17.0
193.12250	3.3
195.06512	1.4
195.08052	3.1
199.05962	2.6
201.09239	1.1
201.11139	1.2
203.10556	1.5
203.17979	1.6
205.12273	1.9
207.10129	0.9
209.09897	1.3
209.11638	5.4
210.06851	1.3
211.07625	1.3
211.13275	3.0
215.10593	1.1
219.10123	1.1
221.05902	1.6
223.07597	2.7
225.09026	1.4
227.10649	2.9
227.12762	1.8
231.13811	2.9
245.86700	1.1
247.13348	1.2
253.08702	1.5
255.10156	4.2
259.13080	1.5
267.10150	1.3
267.15884	1.9
273.18521	1.5
273.21805	1.1
281.11804	1.2
285.11176	5.3
287.12863	6.7
291.69229	1.0
305.11496	1.8
313.14236	2.0
330.10843	1.4
351.15854	2.5
383.22067	2.2
401.23520	1.7
411.28864	2.1
429.29834	2.6
457.29349	3.8
475.30508	4.5
493.21323	1.3
493.27731	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	493.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03942	1.3
55.01866	2.7
55.05508	6.4
57.03439	1.4
57.07088	1.2
65.03951	1.1
66.03063	0.8
67.01095	0.7
67.05505	13.2
69.03437	2.6
69.07073	4.0
69.47267	7.5
70.37309	0.8
71.05002	2.1
76.02663	0.9
79.05502	9.0
81.03416	5.4
81.07060	15.3
83.01321	0.9
83.04984	3.3
83.08630	3.8
85.02907	1.6
85.06550	2.6
91.05485	17.6
91.17171	0.8
93.07056	11.0
94.04205	4.6
95.04973	7.3
95.08611	16.8
97.02869	1.4
97.06544	2.3
97.10190	2.0
98.20831	2.4
98.21505	1.5
103.05478	6.4
105.03360	1.3
105.07035	10.9
107.04969	5.1
107.08588	8.0
108.05733	1.3
109.06532	5.5
109.10164	9.6
111.04445	2.0
111.08100	2.1
115.05475	2.2
117.07028	3.0
119.04964	4.5
119.08575	5.5
121.02910	1.3
121.06531	4.9
121.10172	6.3
122.03674	8.4
123.04427	2.5
123.08082	8.0
123.11729	4.6
125.06033	2.1
125.09639	2.0
129.07014	3.5
129.09077	1.0
131.04926	8.2
131.08534	4.5
131.43896	0.9
133.06537	3.4
133.10150	3.1
135.04420	1.4
135.08073	5.0
135.11707	3.1
136.05215	0.9
137.05983	100.0
137.09613	3.7
138.06346	2.0
139.07605	1.6
139.11168	1.3
141.07021	1.2
143.08569	2.5
145.06508	3.2
145.10156	2.1
147.04417	2.7
147.08066	1.0
147.11723	3.6
149.05997	3.6
149.09651	1.6
149.13199	0.8
151.07550	76.9
151.11162	1.8
152.06311	0.9
152.07883	1.6
153.01842	1.8
153.09129	1.3
153.12756	1.1
154.08612	1.2
155.08653	1.0
157.06497	1.7
157.10130	1.1
157.52141	1.0
159.08086	2.3
159.11708	1.5
161.06036	4.3
161.09598	2.0
161.13235	1.0
163.07536	13.0
163.11220	3.3
165.07021	2.2
165.09171	5.8
165.12770	1.0
166.07742	1.1
167.07063	5.2
167.08572	5.2
173.06023	1.1
173.09654	1.6
173.11667	0.9
175.07539	5.4
175.11198	2.2
177.05545	1.1
177.09131	2.4
179.10728	1.0
181.04987	2.1
181.06480	1.0
181.08611	1.4
185.09584	1.2
185.13210	0.9
187.07562	1.8
189.09129	8.5
191.07051	1.2
191.10674	12.9
193.06525	2.4
193.08423	0.9
193.12254	4.0
195.08141	5.9
195.09692	1.3
199.06039	2.4
201.09154	1.3
203.10701	1.0
206.62704	0.9
209.08032	1.3
209.11723	3.5
210.06779	1.4
211.13269	1.6
212.08339	1.1
215.10698	0.9
219.08141	1.3
221.06073	2.6
223.07520	2.2
224.08260	1.2
225.09093	2.2
227.07176	0.9
227.10800	5.5
227.12718	1.8
231.13765	1.9
238.06247	1.2
247.13481	1.2
249.11255	1.0
249.14877	1.7
251.10675	1.5
253.08618	3.9
253.12262	1.0
255.10249	6.2
267.10141	2.2
267.15796	1.7
269.08124	1.4
285.11215	7.5
287.12863	11.3
291.10309	1.2
305.11658	1.3
307.09598	0.9
313.14389	2.9
315.08749	2.0
319.13095	1.0
330.10959	2.1
339.16147	1.4
351.15805	3.2
358.48715	1.2
369.17096	1.0
373.23846	1.1
383.22162	2.0
401.23419	1.7
404.14481	2.4
415.19006	3.5
419.24353	1.4
429.29974	2.3
439.28772	1.2
443.18414	1.4
457.29871	4.1
475.20883	1.6
475.30551	3.5
493.21356	1.5
493.27811	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	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01862	4.6
55.05512	24.4
57.03440	10.4
57.07068	3.6
64.93652	2.0
65.03938	4.9
66.01756	2.1
67.05505	87.3
69.03405	3.0
69.07064	25.3
71.01356	2.7
71.04993	7.9
71.58130	3.0
72.17082	2.0
73.50518	2.0
79.05495	85.0
79.05956	4.7
81.03415	15.2
81.07059	84.1
83.04987	20.1
83.08636	12.9
85.06554	4.6
91.04894	2.7
91.05482	66.3
93.07050	90.3
95.04985	22.7
95.08610	33.4
97.02859	2.8
97.06533	12.3
97.10167	5.3
99.08092	4.2
101.43798	2.0
105.07036	42.3
107.04977	6.7
107.08596	38.1
109.06514	6.4
109.10160	6.8
111.08066	7.3
117.07035	10.0
119.08595	21.0
121.06503	3.4
121.10152	15.7
123.04443	2.4
123.08057	3.5
123.11675	2.6
125.09627	2.2
129.07025	12.1
131.08585	9.4
133.10094	11.6
135.08063	4.4
135.11722	10.1
143.08556	5.9
145.10175	9.8
147.11685	35.6
149.13284	24.9
153.05380	2.0
159.11682	11.0
161.09651	4.1
161.13277	8.4
163.11174	4.0
171.11717	22.2
177.12776	6.4
179.14308	2.6
189.12753	11.6
193.12202	3.4
195.13849	8.1
207.13776	31.4
211.13342	4.4
225.14896	5.0
227.12775	3.0
267.16031	2.4
269.17487	36.0
281.17471	46.9
282.93817	2.0
475.30569	100.0
476.30954	4.3
493.27982	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3163
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
51.55412	0.6
53.03943	5.4
55.01866	2.8
55.05515	11.0
57.03436	1.2
57.07070	3.5
65.03934	1.5
67.05170	0.8
67.05508	14.8
67.05865	1.0
69.03411	2.3
69.07070	9.2
69.45501	1.0
69.45903	3.4
71.04969	2.4
71.08655	0.5
71.50166	0.5
73.06203	0.7
73.06559	5.1
79.05498	9.6
81.03423	6.3
81.07057	22.4
83.01344	16.2
83.04984	9.3
83.08627	5.5
85.02895	2.2
85.06526	2.5
91.05478	7.7
93.07043	12.1
95.04982	5.2
95.08607	13.9
96.66328	0.6
97.02862	1.8
97.06540	3.3
97.10155	2.0
98.21331	1.4
98.70705	0.5
99.04422	0.7
99.08056	0.7
105.07021	7.0
107.04974	4.6
107.08594	7.0
109.06528	3.3
109.10162	7.5
111.04420	1.7
111.08073	2.1
113.06004	0.5
115.15549	0.5
117.07012	1.6
119.04971	1.0
119.08578	5.9
121.06478	1.6
121.10139	6.9
123.04478	0.9
123.08080	1.6
123.11706	7.8
123.55670	0.6
125.06029	0.8
125.09622	1.9
128.06224	0.6
129.01852	5.0
129.07002	2.3
131.08578	2.7
133.06471	1.0
133.10126	3.6
135.04414	9.8
135.08029	0.8
135.11708	3.0
137.05981	1.7
137.09612	1.0
137.13252	1.4
139.03880	1.5
145.06625	0.7
145.10161	2.9
147.08083	3.5
147.11674	3.6
149.05911	0.8
149.09587	1.9
149.13281	1.0
151.07518	0.8
151.11195	1.6
153.05482	4.9
153.06657	0.8
153.12744	1.3
157.05008	1.0
157.10124	2.6
159.11682	1.8
161.09648	1.1
161.13171	1.1
163.03929	2.1
163.07530	1.1
163.11159	2.1
163.14877	0.6
165.05475	0.7
167.07071	3.8
169.04897	0.8
169.12312	0.7
173.09602	0.6
175.07539	0.7
175.11198	2.9
175.14832	0.8
177.09146	0.5
179.06949	0.9
181.04953	28.7
181.12160	1.0
182.05368	0.6
183.06573	1.3
185.09570	0.7
185.13219	0.5
187.11159	1.2
189.09096	1.1
191.10609	0.6
193.12224	4.1
195.06535	22.7
199.06020	36.6
203.10678	1.7
203.17949	0.7
207.06509	2.9
209.08134	6.7
209.11670	1.6
211.13373	3.8
217.08643	0.6
221.08099	2.4
222.07671	1.2
223.09656	11.7
227.12782	2.1
231.10152	2.1
235.09616	3.8
237.11203	19.7
247.13353	0.7
249.11220	25.7
250.11531	0.8
251.12732	2.2
261.11154	1.4
263.12784	3.8
265.14276	1.2
275.12744	1.5
277.14355	2.0
283.15344	0.7
289.14313	1.7
291.15839	2.3
293.17465	0.9
301.14194	0.8
303.15961	1.8
305.17426	1.3
317.17242	1.1
319.19025	0.7
331.19092	0.8
357.20505	2.0
357.24667	0.6
359.22083	1.4
373.23755	7.8
375.25092	1.4
383.22061	2.2
387.25259	1.9
401.22989	2.6
439.28378	2.8
457.29544	19.3
475.30600	100.0
476.30795	2.4
493.32300	24.0
494.31873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30203	1.6
53.03943	6.7
55.01867	7.9
55.05513	22.4
57.03429	5.1
57.07071	8.6
59.04991	2.0
61.93557	1.7
65.03931	2.2
67.05508	35.2
69.03428	5.2
69.07070	12.0
71.04979	6.9
71.57787	1.4
71.58189	2.3
73.06544	4.1
77.08614	1.6
79.05494	29.5
81.03416	28.8
81.07059	43.2
83.01345	18.0
83.04977	18.7
83.08629	14.9
85.02895	10.2
85.06543	3.8
91.05489	26.9
93.07053	32.7
95.04980	22.7
95.08610	26.7
97.02878	3.6
97.06521	6.7
97.10172	8.8
103.05507	2.4
105.07037	21.9
107.04937	11.5
107.08582	16.2
109.02878	2.1
109.06524	9.9
109.10143	14.6
111.04430	5.8
111.08099	7.5
117.07005	7.8
119.08582	17.0
120.20654	1.8
121.02892	2.2
121.06496	5.3
121.10137	16.2
123.08076	4.6
123.10932	1.7
123.11707	11.8
125.05980	2.8
125.09651	7.6
129.01849	3.6
129.07001	9.3
131.04921	2.1
131.08568	10.6
133.06496	3.2
133.10115	9.0
133.73256	2.0
135.04385	9.2
135.08043	5.1
135.11694	12.3
137.05983	5.2
137.09566	1.8
137.13303	2.7
139.07607	2.7
139.11125	2.7
141.07030	1.8
145.06488	2.5
145.10117	14.2
147.04437	3.0
147.08052	5.6
147.11710	8.9
149.09665	4.9
151.07539	3.3
151.11227	2.6
153.05455	4.1
153.12758	3.3
157.10135	7.3
159.08060	2.2
159.11740	3.4
161.09610	2.8
163.07481	2.3
163.11172	15.1
165.09117	2.6
165.12808	4.0
167.07045	12.3
167.10632	2.1
173.09645	3.3
173.13303	2.4
175.11191	7.4
177.12764	1.9
179.07002	1.7
181.04962	23.3
181.12231	2.8
185.13313	2.2
189.09210	2.2
189.11310	2.0
191.10736	4.2
193.12271	21.1
195.06549	15.4
199.06035	28.1
203.10698	3.1
207.06564	2.7
209.08113	6.1
209.11752	7.6
211.13258	21.6
221.08051	3.0
223.09557	3.5
227.12762	9.1
231.10194	2.0
235.09644	3.3
237.11179	22.4
247.13382	4.6
249.11249	28.6
263.12793	2.8
267.15958	4.8
270.96094	1.8
283.15393	5.1
289.14395	2.6
291.15900	2.4
355.22903	3.2
365.21164	3.0
373.23718	6.8
383.22195	7.1
401.23370	6.1
457.29916	9.7
475.30731	100.0
476.31244	3.6
493.27222	36.0
511.31918	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01877	17.1
55.05261	2.8
55.05510	38.7
57.03439	16.0
57.07072	4.2
59.04981	4.3
65.03930	5.6
67.05164	4.1
67.05508	58.2
69.03426	3.2
69.07058	13.4
69.32580	2.4
71.01332	3.4
71.04986	6.0
75.58989	2.4
79.05062	3.1
79.05498	47.3
81.02977	3.8
81.03421	63.9
81.07063	45.8
83.01337	7.5
83.04990	25.2
83.08621	25.7
85.02905	19.7
85.06512	2.8
91.05481	42.1
93.07040	41.8
95.04971	35.6
95.08616	18.3
97.02916	4.7
97.06530	11.3
97.10197	18.1
98.21133	14.7
99.08167	3.3
105.07027	32.5
107.04943	19.5
107.08575	20.0
109.02873	3.7
109.06508	11.0
109.10164	15.1
111.04411	8.5
111.08084	13.6
111.08784	2.2
113.05950	3.1
114.65558	2.5
117.07008	12.5
119.08574	24.2
121.02882	3.6
121.06494	6.6
121.10130	12.9
123.04401	3.7
123.08072	7.3
123.11656	2.9
125.09629	9.4
129.06981	14.5
131.04906	2.7
131.08560	15.4
133.06506	5.7
133.10181	12.2
135.04478	3.2
135.08035	5.9
135.11684	12.8
142.07761	7.0
143.08696	2.7
145.06432	4.8
145.10138	18.2
147.08034	6.6
147.11671	15.2
149.05974	3.3
149.09607	10.6
153.09094	2.7
153.12756	7.4
155.08609	3.9
157.10176	13.5
159.11693	2.8
161.63036	2.4
163.11201	24.4
165.12781	3.0
173.09569	7.3
173.11743	3.3
175.11209	12.6
181.04910	3.7
181.12236	7.1
189.11290	6.2
191.10622	9.2
193.12245	45.3
195.06439	3.3
199.06020	6.1
203.14291	3.3
209.11705	17.6
211.13281	49.4
227.12794	18.4
229.14436	5.1
231.13837	2.9
247.13336	10.8
249.11334	4.6
249.14966	7.2
267.15924	8.6
283.15491	6.5
365.21100	5.3
383.22113	7.4
401.23154	10.5
419.24100	5.7
475.26816	20.0
475.31580	5.2
493.27832	100.0
494.28232	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	493.2796
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03955	7.8
55.01875	14.4
55.05266	2.3
55.05515	39.0
57.03442	16.2
59.04988	4.3
65.03934	2.7
67.05509	46.7
69.03419	5.9
69.07066	12.6
71.04995	10.6
79.05495	53.9
81.03423	85.6
81.07061	55.3
83.01349	12.6
83.04990	32.2
83.08620	36.6
85.02425	2.3
85.02913	40.5
85.06551	2.9
91.05486	49.8
93.07054	52.7
95.04973	43.2
95.08608	18.8
97.02898	8.9
97.06528	10.7
97.10168	6.9
98.20840	5.2
98.21514	2.9
99.04453	4.2
105.04514	1.6
105.07035	40.2
107.04961	15.0
107.08602	22.9
109.06529	13.5
109.10172	7.4
110.10495	1.2
111.04443	9.0
111.08083	14.4
113.06020	1.5
115.05448	3.0
116.06198	1.3
117.07032	15.2
119.08587	35.2
121.06532	7.4
121.10162	20.3
123.08085	13.5
123.11694	3.1
125.05981	3.3
125.09625	5.2
129.07025	14.7
131.08585	17.8
133.06473	4.7
133.10138	12.3
135.08041	2.7
135.11691	16.1
137.09613	4.9
139.11259	1.5
142.07753	3.0
143.08565	1.6
145.06561	1.9
145.10141	22.5
147.08092	7.0
147.11707	17.6
149.09671	7.8
153.12743	4.9
155.08545	2.4
157.10143	15.0
163.11185	35.8
165.12798	3.7
169.29198	1.3
170.20744	1.4
173.09631	5.8
175.11177	17.1
181.12259	6.5
189.11317	1.4
191.10713	4.8
193.12257	71.0
199.05936	1.5
209.11757	8.3
211.13300	81.3
227.12822	5.8
253.02039	1.5
261.89899	1.3
267.15909	5.8
283.15485	3.6
289.57770	1.4
383.22141	4.3
401.23090	2.7
475.31293	2.1
493.27933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2435
Annotation	Scupolin J
Peak:m/z	Relative Intensity
52.08093	1.5
53.03944	4.9
55.01878	3.2
55.05518	11.0
57.03442	2.7
57.07072	3.1
65.03950	3.5
67.05509	19.1
67.89825	1.3
69.03435	6.5
69.07072	7.8
69.33276	2.1
69.33681	13.2
71.04990	3.9
71.80764	1.3
77.70757	1.4
79.05508	14.6
81.03426	17.4
81.07063	27.2
83.04975	8.8
83.08630	7.9
85.02908	4.2
85.06554	3.8
91.05486	16.9
93.07051	18.4
95.04979	20.7
95.08614	18.7
97.02924	3.1
97.06534	2.1
97.10168	2.8
98.20898	5.2
103.05439	1.6
105.07029	13.4
107.04960	4.7
107.08598	14.2
109.02902	3.3
109.06535	6.0
109.10167	45.1
111.04459	4.1
111.08083	4.1
117.07031	7.9
119.08600	23.9
121.02877	100.0
121.06512	3.7
121.10155	13.9
123.04428	3.6
123.08091	7.2
123.11725	5.8
125.09639	4.8
127.03938	3.6
129.07040	5.3
129.77777	1.7
131.08578	8.6
133.10132	14.0
135.04527	2.1
135.08064	2.6
135.11699	40.0
135.12701	2.4
137.05994	9.3
137.09633	5.6
139.03899	18.5
139.11177	2.6
141.05878	1.5
141.06987	1.7
143.08597	2.8
145.06462	1.8
145.10133	5.9
147.08051	2.0
147.11679	5.0
149.09622	4.4
149.13280	4.0
151.07591	5.1
151.11171	5.1
151.14813	4.0
152.96399	1.5
153.12766	2.1
157.10126	1.8
159.11644	2.3
161.06055	1.7
161.09689	2.2
163.11211	5.0
167.07056	7.0
173.09483	2.6
175.11218	1.5
175.14825	13.3
178.05016	2.1
183.11642	1.7
189.11162	1.8
191.10696	5.0
193.12288	4.3
193.15897	21.6
195.06526	2.1
205.12346	1.7
209.11749	6.3
211.13341	5.7
211.16945	18.3
217.12279	1.7
219.13667	1.9
227.12737	2.7
265.07010	8.1
283.08020	8.7
283.15524	1.7
326.48773	1.6
383.22037	3.5
401.23254	2.8
457.29486	2.9
475.26697	4.1
475.31747	1.7
487.61813	1.6
493.27859	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	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.4
55.01872	20.4
55.05511	45.7
57.03436	15.3
57.07054	5.2
59.04979	5.1
65.03963	5.2
67.05171	4.8
67.05505	79.4
68.14468	3.2
69.03415	8.6
69.07059	18.6
70.76564	5.1
71.04974	7.9
73.02909	3.2
79.05492	56.0
81.03419	100.0
81.07056	64.8
83.01323	3.5
83.04978	31.2
83.08622	38.4
85.02886	12.9
85.06517	5.1
86.55455	2.8
91.05482	47.8
93.07048	50.4
95.04969	55.4
95.08601	44.1
97.02866	8.7
97.06526	10.4
97.10176	25.4
98.21449	2.7
99.04440	5.9
102.61671	2.8
105.07024	35.2
107.04964	32.3
107.08590	40.2
109.06489	11.4
109.10155	31.7
111.01351	2.9
111.04420	16.2
111.08057	18.7
115.05447	7.6
117.05450	4.5
117.07012	14.6
119.07916	3.3
119.08601	38.4
121.02841	13.8
121.06539	13.4
121.10131	22.9
123.04472	4.7
123.08081	6.8
123.11707	5.1
125.05981	4.7
125.09636	22.5
128.06114	3.7
129.06973	14.6
131.08559	19.9
132.94772	3.1
133.06493	6.5
133.10094	14.0
135.04436	8.6
135.08020	9.5
135.11691	35.8
137.09633	5.1
139.07486	4.9
141.07022	3.6
142.07770	6.2
143.08554	4.6
145.10106	25.1
147.04344	3.4
147.08022	10.5
147.11685	14.9
149.05946	3.6
149.09618	7.1
149.35689	2.7
153.09120	4.7
153.12726	12.6
155.01202	3.0
155.08589	3.7
157.10153	13.3
163.07532	3.6
163.11174	51.2
167.06993	3.0
169.10056	3.6
173.09569	5.4
173.11751	4.1
175.11163	17.9
181.04881	4.3
181.12234	16.8
183.11732	6.0
187.11110	3.2
189.11235	15.3
189.12646	3.5
191.10696	8.2
193.12248	58.1
199.05984	5.0
201.12785	4.6
201.14722	3.6
203.14317	3.8
207.13875	5.6
209.11719	11.9
211.13301	50.4
219.13849	7.1
227.12752	77.2
227.14890	4.7
229.14308	10.3
231.13715	6.8
247.13300	33.3
249.11156	4.2
249.14879	14.2
259.13324	4.9
265.14264	4.7
267.15891	18.5
283.15338	17.4
321.17044	8.2
329.44696	3.3
365.21005	4.8
371.50934	3.4
373.23874	3.7
383.22055	10.5
401.22946	16.6
419.24164	3.2
438.62451	2.8
473.30072	3.1
475.26382	42.3
493.27808	93.6
494.28217	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	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.8
57.07076	10.3
67.05504	11.6
69.07072	44.3
70.05757	8.3
70.06171	5.2
70.40342	2.4
71.08672	2.5
79.05509	6.6
81.07057	25.1
83.08634	17.5
93.07030	7.3
95.08616	23.3
96.62398	2.6
97.10143	13.0
98.21176	6.2
105.07056	4.0
106.52247	2.7
107.08592	3.5
109.10157	18.8
111.11755	4.7
121.10110	3.3
123.11701	10.7
133.10153	3.1
135.11678	4.6
137.13306	4.6
138.23648	2.3
139.71851	2.6
145.10176	2.5
149.13348	2.9
151.07542	4.2
153.77611	2.3
157.10178	2.8
167.07051	100.0
173.13158	2.9
175.07573	3.1
177.09102	3.6
179.07031	4.5
189.09267	3.4
203.10741	3.3
205.08644	2.7
221.11841	2.8
233.11795	4.2
263.27414	3.3
291.19748	3.0
347.25540	3.2
361.27518	3.8
369.31442	3.3
411.32043	3.0
429.33664	85.8
430.34152	4.4
447.34796	6.7
492.37283	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	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57067	2.2
55.05520	23.6
57.07081	16.1
67.05513	17.7
69.06723	2.9
69.07076	50.5
70.50123	2.4
71.08624	5.5
72.04507	2.5
80.95088	2.2
81.03428	2.9
81.07066	24.5
81.42873	2.3
83.01320	2.5
83.08629	26.3
85.06541	3.6
88.02202	8.9
91.05469	6.6
93.07028	10.1
95.08609	25.2
97.10168	15.2
98.21048	2.6
105.07040	3.4
107.08595	6.9
109.10165	13.9
111.11721	7.2
119.08592	4.8
121.10164	5.6
123.08077	2.7
123.11679	8.2
131.08568	3.6
133.06491	2.5
133.10170	6.6
135.11679	3.2
137.13246	4.8
149.05994	3.2
151.07538	7.6
151.14749	3.0
153.05449	2.6
159.08098	2.8
165.09065	3.3
167.07057	94.9
173.09546	3.1
175.11156	4.7
177.09212	4.2
179.07011	4.1
189.08942	2.9
207.10231	4.3
227.01945	2.7
233.11621	3.0
240.35754	2.5
263.27582	2.7
264.71988	2.9
272.51187	2.6
291.19443	3.2
347.25439	4.7
429.33698	100.0
456.28317	3.3
474.29025	3.0
492.36533	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	492.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43819	5.8
55.05506	19.0
57.07069	16.6
67.05501	9.4
69.07071	57.7
71.08627	8.7
71.24604	15.1
81.03444	6.7
81.07059	30.3
83.08625	28.1
86.68870	6.6
95.08620	29.5
97.10158	14.7
98.21080	10.3
109.10146	21.7
123.11718	16.7
124.52902	6.3
147.16521	6.2
151.14735	6.9
167.07039	100.0
184.16161	5.6
188.35825	6.3
243.97597	7.3
263.46149	5.9
327.92133	6.1
415.35971	7.1
429.33621	74.8
432.18713	12.5
433.19418	7.2
456.18423	5.9
492.21136	26.2
492.25378	7.0
495.12915	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	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13455	7.1
54.19576	6.6
55.01864	20.0
57.03441	12.7
63.11652	7.0
66.41201	7.0
69.03432	9.7
71.36511	10.7
72.39473	7.1
81.03430	15.6
85.02901	28.5
97.02885	14.9
102.40912	7.4
102.42313	8.9
109.02891	9.9
121.02860	24.2
127.03934	13.5
128.06334	6.6
135.04414	10.5
145.06511	12.6
147.04427	18.2
150.88589	6.6
151.03937	12.0
153.01875	45.7
161.05986	14.3
163.03900	6.8
165.05484	7.2
171.04390	18.2
173.06084	7.4
173.74359	7.4
175.03951	33.8
177.05469	21.1
181.04984	25.6
187.03952	22.9
189.05486	19.4
193.04918	35.1
197.05925	8.3
199.03941	11.4
201.05453	20.3
203.06999	15.3
205.04979	62.5
211.05957	17.1
213.05441	19.4
217.04953	40.0
219.06570	20.1
221.04482	20.8
223.05972	50.0
225.05460	17.0
227.06978	9.3
229.04926	15.7
231.06567	20.8
235.05942	43.6
241.05028	16.7
243.06580	23.3
245.07988	12.3
247.06015	100.0
255.06487	12.8
259.06015	90.5
259.93753	7.3
261.07733	11.3
271.06024	35.0
273.07639	22.7
277.07178	57.9
283.06039	16.8
285.07645	8.3
289.07104	86.6
297.07495	8.7
301.07037	74.8
307.08072	24.6
311.08951	7.7
313.06998	61.4
319.08017	27.3
325.09750	57.7
331.08038	8.8
337.09003	23.1
341.25269	7.1
343.08133	55.8
355.07785	8.6
355.10620	9.1
361.09204	31.7
367.08264	12.4
373.09232	24.5
379.10342	19.5
385.09116	13.9
391.10138	39.9
403.10214	18.8
421.11343	24.8
439.12329	11.5
493.17535	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	492.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40808	0.7
53.03939	1.5
55.01846	0.9
55.05507	2.3
57.07069	1.1
58.73732	0.7
59.04975	0.7
67.05502	9.1
69.03435	5.3
69.07056	1.3
71.04995	0.9
71.17464	0.8
71.17801	1.1
78.03456	6.1
79.05489	2.5
80.05017	1.5
81.03426	6.9
81.07059	2.1
83.05006	1.0
83.08545	0.6
85.02898	4.0
85.06542	3.8
91.05486	3.7
93.07034	5.4
95.04973	1.2
95.08611	18.6
96.04498	1.6
97.02892	1.8
99.04469	1.2
105.07040	7.8
106.02207	1.4
106.02918	22.0
106.03625	1.4
107.08588	4.4
109.02912	3.9
109.03548	0.8
109.06527	2.6
109.10188	1.3
113.06016	1.2
119.08583	10.6
121.06544	1.6
121.10159	6.3
123.08063	10.3
123.11691	1.5
124.03958	100.0
127.03930	3.9
127.23437	0.6
131.08548	1.0
133.06526	1.0
133.10153	3.7
135.08049	1.4
135.11690	2.8
137.09639	2.3
137.13179	0.8
145.10146	1.1
147.08054	1.5
147.11699	9.8
149.09634	15.8
151.07562	2.6
156.09352	1.2
159.08070	1.7
159.11725	0.8
161.09648	1.1
161.13255	5.3
163.11227	1.1
165.09122	0.8
165.12784	1.4
166.05020	0.8
171.11694	1.4
174.10428	4.5
189.12747	16.8
191.14404	0.8
207.13800	15.9
232.06081	1.1
250.07104	6.8
263.62473	0.8
268.08157	47.9
284.07553	1.0
286.09229	35.8
345.07922	0.8
474.21332	7.7
492.22275	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01872	1.1
61.06377	0.9
65.03923	1.2
67.05511	1.2
69.03416	2.9
69.45019	0.9
70.06571	0.9
71.56503	1.2
73.02936	1.4
73.06550	1.6
74.93599	1.0
79.05498	5.0
81.03407	1.9
81.07064	7.1
85.02911	3.2
91.05473	3.3
93.07059	9.8
93.34354	0.9
97.02882	2.5
105.07033	4.3
107.05013	1.2
107.08588	3.5
108.74199	1.0
109.02886	1.9
109.06495	2.3
113.03510	1.7
117.07028	2.3
119.08598	6.0
121.10150	10.8
125.05980	1.3
127.03909	2.2
127.07571	2.2
130.07803	1.8
133.75565	0.9
135.08109	1.6
143.08556	1.3
145.10117	16.1
147.04353	2.3
153.01823	8.4
163.11188	100.0
167.07066	1.7
177.05544	2.4
178.05011	17.9
179.03419	12.6
181.04919	6.9
182.05234	1.3
184.06087	3.9
231.79353	1.0
243.13443	2.9
315.01883	1.1
317.02954	3.9
317.06390	1.1
319.04489	1.1
492.25943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.8
57.07082	16.0
64.65363	9.2
67.05489	27.8
69.07066	40.4
69.76587	58.9
79.05485	20.2
81.07057	45.5
83.08595	20.7
93.07027	21.5
95.08594	32.4
98.21290	32.9
98.98473	35.7
106.85374	10.0
107.08606	16.1
109.10161	28.7
127.03992	9.7
135.11703	21.6
155.01070	20.0
157.64731	10.6
167.07034	100.0
205.08630	14.2
282.83487	10.4
285.15799	9.3
339.28857	48.4
443.31528	19.1
460.31409	17.4
461.32516	31.1
509.05963	11.4
509.64865	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	491.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01849	4.8
55.05285	2.7
55.05509	22.3
57.03411	2.5
57.07062	9.6
67.05506	37.1
69.03422	11.4
69.07072	44.7
70.76154	2.3
70.76492	5.6
71.04973	6.1
71.08636	5.2
79.05498	19.2
80.74538	2.2
81.03413	11.3
81.07062	98.3
83.04972	7.6
83.08619	22.3
83.89869	2.5
85.02889	9.8
85.06522	11.1
91.05483	17.1
93.07047	30.8
95.04955	8.8
95.08611	100.0
97.02873	8.5
97.06530	4.5
97.10159	19.1
98.32248	2.2
99.04395	3.0
99.08095	7.6
105.07036	21.0
107.04961	10.0
107.08592	24.9
109.02864	4.5
109.06504	7.9
109.10162	44.9
111.08070	6.6
111.11730	13.5
117.07007	9.4
119.08588	14.2
121.06518	5.2
121.10162	18.0
123.08078	4.1
123.11709	32.1
125.09620	7.0
125.13268	6.1
127.03905	6.7
127.11185	3.3
129.07013	2.7
131.08559	9.6
133.06505	3.1
133.10135	8.1
135.08089	3.0
135.11710	15.4
135.41649	2.5
137.05995	3.6
137.13261	18.4
138.48436	2.5
139.07552	3.8
143.08510	3.0
145.10115	6.0
149.09570	4.8
149.13298	21.3
149.14386	3.9
151.07532	6.7
151.14815	12.9
153.05391	2.8
155.14301	4.2
157.10071	4.0
159.08087	3.0
159.11688	5.1
161.06024	4.2
161.09639	6.9
161.13200	7.8
163.11108	6.0
163.14804	7.5
165.09149	6.4
165.16455	5.2
167.07054	7.4
167.10657	2.6
167.14360	2.5
167.86148	2.3
175.14719	3.3
177.09102	3.4
177.16391	4.0
179.10651	2.9
179.14357	5.1
179.17938	3.1
181.04971	3.6
185.09711	3.3
187.11308	3.4
189.12560	2.9
191.10614	3.4
191.17966	2.9
193.12170	3.1
218.75536	2.8
219.13844	4.7
261.86670	2.4
275.27298	8.5
281.28339	3.9
287.16357	4.4
293.28378	17.3
305.17331	7.0
311.29391	7.4
323.18454	11.6
329.30597	3.3
367.22617	4.8
373.24039	3.0
385.23514	4.2
403.24356	2.6
459.27298	5.4
473.29196	4.4
491.30487	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	491.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05515	22.0
57.07082	15.4
67.05508	32.2
69.03421	7.6
69.06730	3.5
69.07072	50.4
71.04980	2.8
71.08616	7.5
76.08166	2.1
79.05502	21.8
81.03400	6.0
81.06575	4.8
81.07059	100.0
83.04980	11.5
83.08621	31.6
85.02911	12.9
85.06541	10.9
89.61784	2.2
91.05483	14.5
93.07047	30.8
95.04981	5.1
95.08611	88.4
97.06510	5.2
97.10187	18.6
99.04413	3.1
99.08090	8.7
105.03366	2.6
105.07038	14.7
107.04932	4.1
107.08601	33.6
109.02870	3.3
109.06521	3.4
109.10159	54.5
111.08099	5.1
111.11720	17.8
113.09621	3.1
117.07012	3.2
119.08592	8.2
121.06541	2.4
121.10144	20.1
123.08088	2.8
123.11711	37.1
125.05943	2.7
125.09615	5.1
125.13278	12.1
127.11180	4.8
129.07008	2.8
131.08559	5.8
133.10129	6.1
135.08011	3.9
135.11722	15.3
137.05951	2.5
137.09660	5.0
137.13261	28.2
143.08551	2.8
145.05058	2.3
145.10149	4.0
147.11717	4.3
149.05963	2.7
149.09627	4.8
149.13260	29.9
151.07538	5.7
151.14854	9.9
153.12761	5.4
155.14241	2.9
159.08073	2.4
161.09734	4.1
161.13258	3.4
163.11198	4.9
163.14824	8.7
165.09113	6.7
165.16425	5.7
167.07019	9.3
167.14317	13.1
173.13266	3.3
177.16360	3.4
179.17996	5.5
191.10727	3.1
191.18002	4.2
193.19554	5.2
216.81102	2.3
219.13736	3.2
219.21095	2.7
237.22197	2.5
275.27344	13.2
281.28326	7.9
291.96677	2.3
293.28381	28.5
311.29474	5.3
329.10217	2.7
473.28864	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	492.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03966	0.3
55.05497	0.3
58.56328	0.2
69.03432	2.1
69.18201	0.2
70.06570	0.4
71.56512	0.3
73.06548	0.6
79.01847	0.7
81.03417	1.4
81.07020	0.3
83.04971	0.2
85.02906	0.7
94.06557	0.3
97.02881	1.6
98.21193	0.2
99.04441	0.3
104.04995	1.6
107.01304	0.3
109.02879	1.1
121.10207	0.3
122.06030	0.9
123.04404	0.3
125.02368	0.6
127.03925	1.4
132.04453	8.1
137.05937	0.3
140.06995	0.3
143.03429	1.1
145.04956	0.4
147.04373	0.2
153.01830	17.2
153.02786	0.6
154.02158	0.4
160.03979	0.3
160.07553	0.3
163.11200	0.3
165.05417	0.3
167.07024	0.2
171.02892	1.7
177.05466	0.2
178.04997	100.0
179.05421	1.4
181.05017	0.4
182.04626	0.2
184.06017	0.4
191.14287	1.1
220.09746	0.2
226.54153	0.2
230.13898	0.6
245.67300	0.2
264.12576	0.3
268.38739	0.2
297.05991	1.8
315.07144	0.6
317.02979	0.2
317.06702	0.4
317.10327	0.3
317.14606	0.5
362.05783	0.2
492.16827	0.5
492.25534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03946	0.6
62.96978	0.2
63.07603	0.2
69.03432	0.9
71.05029	0.2
71.24105	0.4
79.01849	1.2
81.02971	0.3
81.03423	4.0
81.85860	0.2
85.02901	1.0
91.05472	0.2
94.06574	0.2
97.02901	1.6
98.21137	0.3
99.04475	0.4
104.05008	1.0
104.72547	0.2
107.01341	0.5
109.02913	1.8
121.64028	0.2
122.06049	0.7
125.02351	1.3
127.03917	1.9
132.04465	6.1
143.03406	2.9
145.04930	0.3
145.10210	0.2
147.04436	0.4
147.27000	0.2
149.09673	0.2
153.01836	39.8
153.02858	1.7
154.02165	0.6
160.03918	0.4
163.11188	0.6
171.02904	2.1
178.05002	100.0
179.05351	1.6
184.06091	0.6
201.76369	0.2
297.06110	3.8
310.91306	0.2
315.07111	1.0
317.02698	0.2
330.14371	0.3
340.10126	0.9
492.11133	0.7
492.18134	0.3
492.25708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.8
55.01876	15.7
55.05511	41.6
57.03426	10.9
57.07080	3.5
59.04997	3.4
61.68439	2.8
62.29564	3.0
65.03926	3.9
67.05505	83.2
69.03413	5.8
69.07061	21.4
71.01368	3.6
71.04985	7.9
79.05492	100.0
80.49129	2.8
81.02971	2.8
81.03413	70.0
81.07055	81.1
83.01333	6.5
83.04974	33.8
83.08624	28.8
85.02912	16.2
85.06550	5.3
87.73969	3.3
91.05476	96.6
93.07042	89.2
95.04967	48.7
95.08608	42.2
97.02924	4.6
97.06536	12.0
97.10184	14.0
98.20813	8.7
98.21503	7.6
105.04566	3.6
105.07035	55.1
107.00702	2.5
107.04964	22.7
107.08595	33.4
109.06528	14.9
109.10136	14.5
111.04443	4.8
111.08067	9.4
115.05443	6.9
117.07018	27.9
118.17715	2.5
119.08582	47.1
121.06486	8.6
121.10145	20.3
123.04438	4.4
123.08092	15.0
123.11700	13.0
125.09601	16.0
128.06232	5.6
129.07013	24.5
131.08562	21.1
133.06523	6.1
133.10118	24.0
135.08018	7.7
135.11661	15.1
141.07059	3.8
142.07770	4.8
143.08534	15.6
145.06470	4.8
145.10121	31.5
147.08055	9.8
147.11681	33.4
149.09668	4.9
151.11232	3.9
153.12770	4.8
155.08562	6.4
157.10124	12.8
159.11673	4.7
161.09604	10.2
161.13263	10.4
163.11186	32.0
165.09099	3.4
167.07027	5.7
169.10234	4.8
169.12012	3.7
171.08093	4.0
171.11662	22.8
173.09624	8.2
173.13257	3.2
175.11198	10.2
181.10118	3.8
181.12177	7.2
185.13293	3.4
189.11316	6.9
189.12837	7.3
191.10771	3.6
193.12219	30.7
195.06538	3.3
207.13759	18.6
209.11768	13.8
211.13271	24.5
219.13693	4.9
227.12863	14.6
229.15976	4.4
247.13232	3.4
249.14902	7.1
267.15897	23.1
281.17505	19.6
305.17545	4.5
333.09399	3.2
371.22141	4.0
399.25696	3.9
473.29028	42.9
491.26236	26.9
491.30099	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	491.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.6
55.01875	13.1
55.05513	60.8
56.15205	4.1
57.03424	8.7
57.07066	9.1
59.05001	5.9
65.03930	8.0
67.05505	69.7
69.03425	24.9
69.07070	36.9
71.04977	12.8
71.08636	4.6
71.56654	3.8
77.03963	4.2
79.05492	63.1
81.03420	25.3
81.07060	100.0
83.04989	24.9
83.08616	32.3
85.02902	13.5
85.06550	14.9
91.05487	62.5
93.07043	62.8
95.04990	33.9
95.08606	82.1
97.02895	11.4
97.06527	5.5
97.10176	34.7
99.04449	4.7
99.08097	4.9
103.05450	9.2
105.03403	7.1
105.07039	58.4
107.04960	40.6
107.08602	51.1
109.02880	8.8
109.06523	29.5
109.10151	45.9
111.08086	11.5
111.11717	10.9
115.05457	10.9
116.06075	3.5
117.07025	16.8
119.04936	11.0
119.08590	36.2
121.02876	35.5
121.06514	30.1
121.10133	41.3
122.03642	5.8
123.04435	7.0
123.08048	22.3
123.11729	26.7
125.06014	10.0
125.09633	39.4
125.13190	4.7
127.03937	7.2
128.06189	5.4
129.07018	18.7
131.04926	14.9
131.08588	32.4
133.06493	17.0
133.10138	56.4
135.04440	7.3
135.08046	20.7
135.11716	16.1
137.05984	69.8
137.09616	28.4
137.13261	10.8
139.11223	6.1
141.07019	6.2
143.08537	12.6
145.06477	7.1
145.10092	22.8
146.03645	7.2
147.08084	10.9
147.11688	13.8
149.05994	6.4
149.09596	17.6
149.13313	21.3
151.03966	5.3
151.07526	63.6
151.11197	6.9
151.14867	4.6
153.01900	7.8
153.09094	7.8
153.12769	6.2
157.10159	11.7
159.08032	6.0
159.11763	5.7
161.05983	35.3
161.09587	26.1
161.13303	6.9
163.07602	18.5
163.11224	14.9
163.14886	8.5
165.09114	16.7
165.12769	5.6
167.07082	23.3
167.08363	4.4
167.10677	5.3
167.14308	5.2
169.06580	4.5
169.10243	7.0
173.09650	9.2
173.13255	13.3
175.07538	22.9
175.11147	10.1
177.09157	22.3
177.16367	4.4
178.04974	6.0
179.10686	10.9
181.05058	9.1
185.09645	5.6
185.13358	5.0
185.88959	3.8
187.11244	6.3
187.14740	4.8
189.09148	17.2
189.11229	15.3
189.12762	4.8
191.10683	22.5
191.14314	23.3
191.77895	3.8
193.08667	5.5
193.12268	15.1
195.10176	16.7
197.13271	4.7
199.11203	5.6
201.09019	5.8
201.12746	5.7
203.10646	9.4
205.08507	5.0
205.12238	8.4
207.10178	9.6
207.13780	6.5
209.15276	4.5
219.08234	4.7
219.10252	8.3
219.13788	28.4
221.11670	4.4
223.09622	6.9
227.12775	15.1
231.08017	3.7
231.13609	4.4
234.06683	9.4
236.08194	4.3
237.08989	3.5
238.09892	4.9
244.40659	3.9
247.13388	8.8
249.09048	12.2
251.06984	3.7
253.08621	6.9
263.12949	5.4
271.17004	3.8
275.16388	6.5
275.27103	3.9
277.08505	29.4
279.10269	5.9
281.08047	6.6
285.11331	4.0
293.28311	9.6
295.09811	7.0
297.11166	11.0
309.11230	18.4
311.09003	4.5
311.20007	4.3
349.21606	4.6
353.20688	5.1
367.22665	11.5
381.20526	6.8
385.23508	11.5
389.23148	5.0
399.21689	9.3
411.29306	4.9
437.26904	4.2
445.16193	5.9
445.25763	9.3
447.17953	5.6
459.18060	8.4
459.27451	28.4
473.19431	5.3
473.25034	7.5
488.11298	4.9
491.20242	37.1
491.25372	14.2
491.30029	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	491.3002
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.30873	2.6
53.03946	8.4
55.01868	8.3
55.05511	33.8
57.03429	13.7
57.42388	3.0
65.03937	7.4
67.05512	72.9
69.03421	5.7
69.07070	14.3
71.04993	6.6
79.05499	84.4
81.03419	66.3
81.07063	71.9
82.66923	3.5
83.04981	20.0
83.08622	27.9
85.02911	16.4
85.06541	3.6
91.05483	100.0
93.07050	64.4
95.04968	33.3
95.08603	27.0
97.02905	4.1
97.06534	8.6
97.10179	8.0
98.20777	5.4
98.21423	8.9
103.05467	3.6
105.04478	4.4
105.07040	67.5
107.04948	10.9
107.08608	25.4
109.06536	9.5
109.10165	9.0
111.08082	8.3
113.42995	2.9
115.05469	3.2
117.07054	14.4
119.08595	42.5
121.06487	6.8
121.10143	15.4
123.08096	7.5
123.11711	13.2
123.97494	3.0
125.09670	5.1
128.06262	5.6
129.07013	27.1
131.08565	16.9
133.10138	17.8
135.11758	4.6
137.09552	3.2
142.07814	3.7
143.08565	14.7
145.10156	13.9
147.11685	39.0
147.12775	3.9
149.09648	4.4
149.13304	3.5
155.08623	3.0
157.10165	12.2
161.09631	7.9
161.13307	15.7
171.11659	28.5
175.11205	12.3
189.11238	5.0
189.12802	11.6
193.12247	34.0
207.13788	29.8
211.13258	31.5
239.32852	3.0
247.17043	3.4
249.14841	8.0
267.15842	15.3
281.17429	22.5
363.23297	4.2
381.24136	4.1
399.25168	7.1
417.26944	4.0
447.15588	3.4
473.29050	42.1
474.29480	3.6
491.30188	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03939	12.6
55.01869	17.5
55.05511	37.8
57.03436	8.9
57.07048	4.2
59.79922	3.5
65.03935	3.6
66.15280	3.8
67.05503	62.5
69.03419	6.7
69.07072	26.2
70.73177	9.2
70.73524	3.7
71.04980	16.8
79.05492	68.9
81.03405	16.1
81.07060	78.7
83.04978	19.6
83.08619	25.9
85.06521	10.9
91.05475	51.4
93.07047	63.2
95.04978	29.3
95.08614	46.1
97.06533	7.9
97.10175	38.5
98.21000	5.3
103.05433	3.7
103.10909	3.3
105.07035	35.0
107.04961	54.4
107.08575	36.1
109.06513	26.5
109.10146	26.2
111.04414	4.2
111.08080	7.4
116.71097	3.7
117.07043	19.2
119.04895	5.1
119.08567	19.7
121.06510	41.5
121.10181	32.6
123.08051	9.0
123.11700	12.6
125.09626	29.2
125.13266	4.5
128.06281	4.0
129.07040	18.5
131.04909	10.2
131.08577	38.4
133.06480	5.1
133.10139	13.8
135.04431	4.9
135.08064	15.0
135.11728	10.9
137.05949	6.6
137.13264	4.8
138.05614	3.6
141.06981	5.5
143.08583	10.8
145.06488	17.5
145.10129	17.9
147.08044	13.8
147.11674	7.5
149.09637	14.3
149.13292	4.7
151.07578	5.3
153.85933	3.8
155.08493	5.0
157.10120	10.1
159.08012	7.2
159.11728	8.2
161.09616	6.5
163.11247	10.0
165.09116	15.0
167.07011	5.4
167.08499	5.1
167.10724	8.8
169.10118	5.0
171.08011	6.7
171.11629	8.9
173.09595	6.2
173.13271	12.6
175.07484	6.1
175.11102	7.1
177.12732	4.0
181.04997	4.6
181.10054	3.7
185.13287	7.1
189.09163	6.1
189.11189	12.3
191.14279	10.4
193.12218	11.0
199.06029	4.1
199.13239	7.2
213.12653	4.9
219.13785	29.3
223.13217	4.2
227.12726	7.1
229.15793	5.6
233.15427	7.2
237.14922	3.8
247.16853	4.2
249.14801	7.9
255.13663	4.6
273.14828	7.7
275.16394	13.6
281.28424	5.0
293.28467	5.9
311.29602	4.2
325.21426	4.7
339.23181	5.5
349.21509	12.2
367.22650	38.4
371.22278	4.1
385.23718	41.0
403.24817	12.2
441.26282	5.5
459.27438	88.1
473.29391	21.7
491.30493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1551
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
53.03941	0.6
55.05506	0.6
61.11312	0.3
65.03931	0.7
66.17313	0.3
67.05503	5.0
68.74651	0.3
69.03421	1.2
69.07053	0.5
69.90903	1.8
70.06601	0.4
71.04990	0.8
76.67440	0.3
79.05495	1.5
81.03405	1.2
81.07061	2.5
82.25865	0.3
83.04979	0.7
85.02901	0.8
85.06539	0.8
89.03923	0.5
91.05485	1.8
93.07058	2.4
95.02425	0.4
95.04978	3.6
95.08608	2.3
97.02908	0.7
97.06511	0.4
97.10181	0.4
98.21160	0.9
99.04460	1.0
105.07037	4.3
107.04967	1.2
107.08585	1.6
109.02871	0.9
109.06499	0.9
109.10161	1.4
113.03487	0.7
117.03374	0.4
117.06992	0.7
119.04939	2.5
119.08569	1.4
121.02877	4.4
121.03732	0.6
121.06496	0.8
121.10127	0.9
123.04401	0.6
123.08065	0.8
123.11694	0.6
123.46694	0.3
124.03970	1.3
125.06040	0.5
125.09634	0.5
127.03909	0.5
129.07050	0.4
131.04919	0.4
131.08545	0.3
133.06525	0.6
133.10147	3.2
135.04419	8.0
135.11656	0.9
137.05975	0.7
145.02838	1.2
145.10184	0.7
147.04462	0.4
147.11674	0.6
149.05974	0.5
149.09622	0.8
151.03937	0.5
151.07556	2.0
151.11176	0.6
153.01848	3.4
153.05464	1.4
159.11707	0.6
161.09628	1.8
161.13307	0.4
163.03926	4.5
163.07599	0.5
163.08856	0.3
163.11208	2.3
163.12457	0.5
165.05469	0.3
165.09145	0.9
167.07034	0.9
168.04198	0.4
169.10222	0.3
177.05458	2.9
177.09212	0.4
179.10669	2.8
181.04959	8.2
189.09126	0.7
191.06966	0.4
191.10646	0.4
193.04980	0.7
205.05048	0.3
207.08142	0.7
207.10027	0.6
207.13837	0.4
225.08965	0.3
229.11858	1.0
239.06862	0.4
240.07813	0.6
253.08655	0.5
267.06522	4.3
268.07315	7.1
269.07874	0.7
281.08090	36.5
282.08447	0.8
283.09714	0.8
286.09320	0.7
293.09174	0.7
295.06168	1.6
296.06787	8.6
297.31412	0.3
311.09140	100.0
312.09454	2.2
315.21893	0.6
381.47870	0.3
420.12924	0.4
473.14484	28.6
474.14737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40084	1.0
53.03941	1.3
55.05503	4.3
59.34012	0.9
64.78387	1.0
65.03928	3.5
67.05511	6.0
69.03439	7.4
69.07064	2.8
70.86258	2.3
71.04986	1.4
79.05497	6.2
81.03426	6.4
81.07059	8.8
83.04976	3.9
85.02895	4.8
85.06500	1.6
91.05474	6.6
93.07042	6.3
95.04980	7.1
95.08604	4.6
97.02876	4.1
97.06506	1.2
97.41692	1.2
98.21217	1.4
99.04475	1.5
105.07027	7.6
107.04954	3.8
107.08596	15.5
109.02858	2.4
109.06509	4.3
109.10161	5.4
111.04431	2.5
117.06998	2.4
119.08582	5.0
121.02872	100.0
121.06486	2.5
121.10133	10.8
122.07271	3.2
123.08038	2.0
125.09613	2.1
127.03926	2.7
131.04990	1.1
131.08551	3.0
133.10132	76.6
135.08057	7.6
137.06006	1.6
137.09618	39.7
139.03897	19.0
145.04945	1.9
145.10121	2.4
147.07736	0.9
147.11626	2.4
149.09579	1.9
149.13283	6.8
151.07544	2.4
153.01854	1.4
159.11763	1.1
163.14806	2.1
165.09091	2.0
167.07030	1.4
173.13272	4.4
177.09138	1.5
181.05035	1.4
183.07838	1.1
191.14302	30.5
191.28067	1.0
193.12360	1.4
203.10732	0.9
203.14311	1.0
209.15355	3.3
247.05995	1.3
265.07077	8.5
268.07391	1.1
283.08090	13.8
296.06644	1.2
313.07059	8.0
329.10196	42.1
491.18594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07566	2.8
53.03936	7.3
55.01880	15.1
55.05515	81.6
57.03422	8.7
59.04996	5.1
60.01734	2.2
65.03929	3.7
65.77144	2.8
66.91167	2.1
67.05172	3.6
67.05505	60.6
69.03439	13.6
69.07078	18.4
69.72932	2.3
70.56187	8.6
71.04980	13.4
79.05060	3.7
79.05495	67.2
81.03420	18.4
81.07060	58.8
83.04979	16.4
83.08624	47.3
85.02908	3.3
85.06554	7.2
91.04966	3.6
91.05484	39.7
93.07052	50.0
95.04957	23.8
95.08615	24.9
97.02885	4.2
97.06496	5.6
97.09537	5.1
97.10172	100.0
98.21127	4.8
103.05450	3.5
105.06384	2.9
105.07041	28.5
107.04959	53.6
107.08592	38.1
109.02869	8.5
109.06536	23.1
109.10197	17.0
111.04420	3.4
111.08073	8.0
115.05460	5.1
117.07009	18.7
119.04962	4.5
119.08582	16.3
121.02856	3.4
121.06503	28.5
121.10152	20.6
123.04458	3.1
123.08026	10.4
123.11716	5.0
125.09635	68.9
129.07022	8.2
131.04932	5.4
131.08575	22.5
133.06459	8.2
133.10117	14.2
135.04420	4.1
135.08086	20.1
135.11705	4.7
137.06001	2.8
137.09621	3.9
139.11145	3.2
141.06956	4.2
143.08568	6.3
143.10651	2.8
145.06459	14.1
145.10110	15.9
147.04391	2.7
147.08015	10.4
147.11650	6.2
149.05957	2.7
149.09621	7.5
151.03944	3.8
153.09096	8.7
157.10141	5.6
159.08058	7.0
159.11617	4.5
161.05954	3.6
161.09645	6.2
163.11147	8.8
165.09103	7.9
167.07054	5.0
167.10664	2.9
169.10120	5.5
171.08134	5.5
171.10158	6.6
171.11656	5.2
173.09622	6.9
173.13252	11.8
175.07545	4.4
175.11226	3.4
181.10086	4.2
183.08020	4.7
183.11653	2.9
189.09422	4.6
189.11220	47.2
191.14334	13.2
193.12207	8.5
199.13277	5.1
201.12689	4.0
203.10548	3.2
213.12827	3.4
217.12248	3.5
219.13805	80.4
225.11188	6.4
227.12747	22.0
233.15324	4.2
245.11615	3.6
247.17050	3.1
249.14844	4.7
263.12738	12.5
271.16901	3.1
273.14923	6.6
275.16400	8.7
281.13882	3.8
349.21518	10.9
353.21149	5.6
367.22675	22.1
371.22141	12.3
381.20425	5.7
385.23761	25.8
389.23178	11.4
399.21472	9.5
403.24799	4.7
407.24042	3.9
417.22571	5.3
441.26440	5.7
445.25961	19.2
447.27444	3.8
459.21121	3.9
459.27380	56.9
463.27063	13.4
473.24826	8.2
473.29861	4.1
491.26270	59.4
491.30188	36.0
492.26675	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01871	30.2
55.05267	4.1
55.05513	58.5
57.03444	14.5
57.07085	12.9
58.81223	2.0
59.05000	10.4
65.03928	6.8
65.39461	2.3
67.05173	4.6
67.05508	58.8
69.03419	7.6
69.07061	18.3
71.01342	4.8
71.04986	17.0
71.10952	3.5
79.05495	88.8
79.05957	4.7
81.03419	37.3
81.07057	84.9
83.01347	30.4
83.04982	48.5
83.08632	27.3
85.02889	12.5
85.06521	7.9
90.69864	2.3
91.05481	63.2
93.07046	95.6
95.04969	32.3
95.08614	42.9
95.15414	2.0
97.02877	8.0
97.06532	22.4
97.10170	9.1
98.21090	4.3
99.04449	5.9
103.05450	3.7
105.07031	46.0
107.04295	2.6
107.04966	30.7
107.08604	51.6
108.88199	2.0
109.02885	2.2
109.06528	24.7
109.10175	13.6
109.42664	2.2
111.04436	7.3
111.08079	7.9
111.11653	2.4
115.05464	3.3
117.07018	27.6
119.08593	39.0
121.06509	20.0
121.10147	37.8
123.08091	29.4
123.11703	7.2
125.05981	6.8
125.09617	9.2
128.06200	4.4
129.06995	9.7
129.24193	2.4
130.07756	7.9
131.04985	3.0
131.08549	19.3
133.06506	2.6
133.10161	14.5
135.04376	6.6
135.08070	10.4
135.11699	48.2
136.54887	2.0
137.09610	6.4
139.11238	2.9
141.09143	2.4
143.08557	7.3
145.06535	3.2
145.10126	60.3
147.08051	12.3
147.11685	6.7
149.09676	2.7
149.13319	2.8
151.11179	7.3
153.05420	3.1
153.12769	20.0
155.08562	5.3
157.10085	3.3
159.11800	2.4
161.09636	3.6
161.13290	2.7
163.07515	3.4
163.11189	100.0
165.09059	3.4
165.75955	2.4
166.25624	2.3
167.07043	3.3
167.10771	2.6
171.11688	4.2
173.09654	15.2
177.09105	2.5
181.04991	15.2
181.12215	16.8
189.11246	2.2
191.10683	15.5
193.12160	2.8
195.06589	19.3
199.06056	24.0
207.13899	3.0
209.08075	4.7
209.11728	31.3
221.08136	6.2
223.09634	13.0
227.12830	17.8
235.09676	2.9
237.11110	4.7
249.11099	3.2
259.93558	2.6
273.14743	2.5
291.15854	3.8
301.14459	2.8
302.05179	2.3
317.17514	2.7
319.15350	6.9
346.27582	2.4
371.22144	4.2
385.23517	3.4
389.23248	9.3
429.29764	2.4
455.27762	6.4
459.27267	7.0
473.29037	39.9
491.25302	75.0
492.26425	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	490.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.3
67.05493	11.0
69.07059	11.5
71.57196	5.2
76.53988	3.2
79.05508	7.3
81.07057	11.5
85.88528	4.1
91.05484	8.8
93.07061	9.4
95.08597	14.2
97.10159	4.2
105.07025	8.9
107.08597	14.8
109.10164	16.1
119.08548	12.5
121.10148	15.0
133.10110	10.2
135.11719	10.4
144.78711	3.7
145.10153	8.1
147.11691	7.0
159.11703	11.4
162.05292	4.7
162.69025	4.2
163.14830	14.7
172.72252	3.8
173.13307	5.4
175.14690	5.1
181.15887	12.1
185.13295	4.3
187.14812	8.0
201.16373	11.4
203.17979	11.7
213.16579	4.8
219.17392	25.3
227.17860	4.8
237.18497	14.2
256.26422	10.1
282.85147	4.0
391.33484	13.5
391.53470	4.0
408.86987	3.9
409.29507	6.9
409.34689	100.0
427.35651	28.8
444.35556	10.3
445.36832	48.3
490.36371	19.4
490.42511	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1549
Annotation	5-Methoxyafrormosin 7-O-glucoside
Peak:m/z	Relative Intensity
53.03942	0.9
53.42479	0.4
55.01879	0.7
55.05517	3.9
57.03432	1.4
57.07082	2.4
61.02927	5.9
67.05499	4.5
69.03441	2.6
69.07069	5.4
69.50011	3.0
71.04987	0.8
73.02916	1.4
79.05490	4.5
81.03418	1.7
81.07060	14.5
81.79694	0.5
83.01321	0.8
83.04964	1.3
83.08617	4.6
85.02909	6.5
85.06517	1.6
91.03980	2.6
91.05463	1.9
91.91398	0.4
93.07043	6.2
95.04955	1.8
95.08612	9.0
97.02911	2.8
97.06499	1.4
97.10162	2.8
97.66090	0.4
98.21281	1.9
99.08092	1.0
105.07030	2.2
107.04951	3.0
107.08589	4.2
109.06515	1.2
109.10156	5.1
111.08069	1.2
111.11710	1.6
117.06983	1.1
117.15446	0.4
119.08578	1.8
121.02871	1.9
121.06481	1.4
121.10110	3.0
123.08088	0.9
123.11692	2.7
125.09619	1.8
127.03915	0.7
129.07053	0.5
131.08577	1.7
133.06482	0.5
133.10115	1.1
135.04346	1.0
135.08026	0.6
135.11661	2.1
137.13275	3.6
145.06528	0.7
145.10117	1.5
147.08002	0.6
149.09596	0.6
149.13260	3.2
149.82208	0.5
151.14835	0.8
155.14330	3.8
157.10062	0.8
163.11165	1.3
163.14775	1.1
163.52684	0.5
165.05504	0.5
165.09198	0.5
167.07033	0.8
167.14301	1.2
168.56613	0.5
173.13272	0.8
181.04924	1.3
189.11223	0.5
189.16426	0.4
193.12157	0.7
195.06548	1.1
199.06006	1.3
209.11662	0.7
219.13797	1.4
223.09586	0.5
227.12697	1.1
257.08408	0.6
268.07291	0.7
271.05981	2.1
275.27237	0.9
281.17310	0.6
281.28308	1.4
285.07614	1.1
286.08353	3.1
293.28400	3.5
311.29596	0.6
313.07068	9.3
314.07852	24.7
315.08389	0.6
325.26236	0.5
325.52875	0.5
329.10193	100.0
330.10587	0.8
362.02621	0.5
367.22717	0.8
385.23743	0.6
459.27328	2.1
473.28998	2.7
491.30530	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	491.1549
Annotation	Salvigenin 5-glucoside
Peak:m/z	Relative Intensity
51.01610	0.2
53.03909	0.3
53.79473	0.2
55.05513	0.5
67.05479	0.9
69.03407	0.6
69.07040	0.6
69.50829	1.7
79.05496	0.5
81.03369	0.2
81.07058	1.1
83.04974	0.4
91.05488	0.4
93.07020	0.7
95.04943	0.4
95.08563	0.7
97.06556	0.2
97.10156	0.2
98.20945	0.7
105.06996	0.5
107.04933	0.3
107.08590	0.5
109.06499	0.3
111.04390	0.3
117.06961	0.3
119.08585	0.2
121.10131	0.3
123.11666	0.3
125.09674	0.3
133.10098	0.4
136.05180	0.3
137.02338	1.1
137.13239	0.2
145.10129	0.3
147.11679	0.3
151.07567	0.3
152.04662	0.4
153.01872	0.3
167.03389	1.3
179.03477	0.3
180.04135	0.5
181.05005	0.5
191.10730	0.3
227.12689	0.2
241.08524	0.3
271.05923	0.6
285.07590	1.3
286.08337	2.7
297.07541	0.9
299.05563	1.5
313.07056	11.3
314.07855	32.4
315.08167	0.8
328.05960	0.2
329.10205	100.0
330.10605	2.0
397.29282	0.2
410.22394	0.2
436.86887	0.3
491.15500	32.5
492.15909	0.9
493.48123	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	490.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.8
57.07078	54.5
57.73021	2.0
67.05509	7.2
69.07070	7.8
69.76771	3.1
69.77067	12.1
78.22736	1.8
79.65260	2.0
81.07067	18.6
83.08606	4.7
85.06554	33.4
91.05535	3.1
93.07046	6.3
95.08610	12.7
97.10177	2.2
98.21091	7.1
99.36984	1.8
105.07092	1.9
107.08572	4.8
109.10155	12.6
111.08107	1.9
114.09296	1.9
116.62968	2.0
119.08633	2.1
121.06495	3.4
121.10165	1.8
123.11691	5.8
130.36389	1.9
139.07545	2.4
147.08063	1.9
149.06026	3.6
149.13321	2.8
151.07547	10.1
161.06032	2.4
167.05624	4.1
167.07047	84.1
175.07620	4.0
179.07108	4.3
187.11166	2.3
189.09203	6.3
193.08691	2.6
203.10612	3.6
207.10164	7.8
316.56793	2.1
392.43393	2.1
424.04431	2.0
427.32004	11.1
445.33167	100.0
446.32928	2.9
487.34979	2.1
494.16772	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	490.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52423	5.9
55.05506	10.8
57.07076	65.3
67.05494	18.2
69.07048	12.5
69.89107	35.4
72.04507	24.2
79.05496	11.8
81.07056	30.4
83.08639	12.6
85.06555	30.3
91.05515	7.7
93.07028	20.4
95.08613	19.9
98.21213	17.5
105.07029	13.0
107.08598	12.0
109.10147	24.5
119.08646	8.1
121.10184	10.8
123.11722	9.5
131.08525	7.8
133.10085	6.3
147.11700	9.2
151.07524	17.3
163.11107	8.3
167.07051	100.0
173.13309	10.3
203.10672	7.6
203.17973	22.0
207.10176	9.8
211.07787	6.6
215.14326	7.9
233.15384	23.6
270.37445	6.8
340.18692	8.7
427.31903	11.1
445.33264	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	489.342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79894	5.6
55.05503	20.8
57.07066	10.4
57.90387	6.2
60.61419	6.0
67.05512	43.9
69.03427	17.4
69.07061	37.1
69.37112	49.6
71.04984	6.9
78.96045	6.0
79.05487	27.1
81.07057	100.0
83.04975	19.1
83.08606	21.7
84.85390	6.2
85.02895	11.9
85.06529	7.0
91.05462	29.3
93.07040	58.7
95.04942	21.0
95.08607	81.1
97.06577	12.1
97.10153	12.3
98.20908	22.1
98.21574	11.5
103.86088	6.7
105.07037	46.8
107.08611	43.8
109.02850	11.3
109.06473	9.0
109.10162	60.1
111.11707	9.3
117.07016	6.2
119.08568	24.7
121.06481	13.9
121.10147	41.5
123.11706	27.5
125.09599	9.3
131.08592	11.7
133.06491	6.8
133.10115	23.5
135.08041	7.5
135.11710	36.6
139.11121	6.2
145.10091	17.7
147.08102	8.2
147.11656	26.7
149.09537	7.2
149.13231	19.0
151.07593	30.3
151.11086	7.9
153.01820	7.3
157.10175	9.7
159.11678	8.5
161.09578	8.2
163.14803	13.9
164.18637	6.5
165.09138	11.2
167.07050	20.8
175.14877	8.1
177.09195	9.0
177.16377	12.5
181.04962	10.7
187.11206	10.1
191.07001	8.0
191.14407	10.0
191.18013	8.2
205.12143	7.9
205.15828	15.3
232.17624	6.8
263.98068	7.1
273.25790	13.0
279.08734	9.3
308.36487	6.3
412.55087	7.3
415.24548	6.8
443.35199	15.8
471.26865	10.2
489.18234	8.3
489.27640	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.05529	4.6
53.03936	10.5
55.01863	8.0
55.05511	39.1
57.03434	5.3
65.03922	5.4
67.05499	61.5
69.03419	9.6
69.07053	21.4
70.95039	10.9
70.95388	5.2
74.57819	4.7
79.05492	86.3
81.03398	10.9
81.07063	77.8
81.44832	4.1
83.04970	20.4
83.08607	21.0
85.06548	6.8
90.74860	4.7
91.05479	66.0
93.07042	99.9
95.04973	30.8
95.08611	100.0
97.02904	6.4
97.06524	6.3
97.10172	6.5
99.04462	5.8
105.07035	71.2
106.07281	4.8
107.04959	15.9
107.08606	67.4
109.06506	8.5
109.10155	33.2
111.04353	4.5
111.08085	7.5
117.06995	21.1
119.08582	69.6
121.06504	12.6
121.10129	45.8
123.08051	8.4
123.11678	11.7
129.06976	19.6
131.08582	35.1
133.10132	42.9
135.08035	9.2
135.11707	57.4
142.38147	5.4
143.08572	14.8
145.10121	73.8
147.11685	46.2
149.13245	15.7
153.12743	5.6
155.08554	6.8
157.10118	12.0
159.11676	16.7
161.09656	13.9
161.13300	25.9
163.11195	58.3
163.14819	14.0
171.11758	24.7
173.13242	26.1
175.11183	6.2
175.14816	22.6
177.12675	6.4
177.16373	22.8
181.12192	12.9
185.13287	6.9
187.14821	38.8
189.12674	10.8
189.16397	24.3
191.17931	7.8
199.14861	7.6
201.16386	19.4
203.14301	15.9
203.17993	56.9
205.15906	62.9
207.13820	20.9
207.17540	6.2
213.16441	7.0
221.15387	9.2
227.12744	83.0
233.68985	5.4
249.02483	5.2
249.18529	7.7
251.73445	4.4
294.38385	5.3
395.33044	11.8
407.33090	16.6
425.33932	10.6
435.32339	10.7
453.33490	14.5
471.31186	5.9
489.28128	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03940	2.4
55.05519	6.1
56.15541	1.2
57.07063	2.3
61.01155	1.4
67.05509	12.5
69.07077	7.1
70.92227	1.8
70.92573	2.8
72.04480	1.5
78.03770	1.6
79.05493	10.2
81.03477	1.3
81.07067	19.9
83.04981	1.6
83.08616	3.6
85.06528	1.4
87.04459	1.7
89.62408	1.2
91.05486	9.9
93.06545	1.5
93.07055	17.6
95.04970	2.6
95.08611	18.4
96.32143	1.0
97.06558	2.3
97.10181	1.8
102.03772	3.5
105.07037	15.8
107.08601	20.4
109.06511	2.8
109.10175	13.9
111.08067	2.4
111.34396	1.3
117.07012	3.4
119.08589	18.5
121.10156	17.5
123.04459	1.9
123.08079	5.3
123.11713	5.3
125.09639	1.9
129.07040	1.7
131.08598	8.0
132.04787	1.5
133.10132	16.0
135.08055	3.0
135.11690	8.2
137.09644	2.0
137.13278	1.4
143.08524	2.6
145.10136	14.6
147.11722	12.8
149.06148	2.3
149.07428	16.3
149.09592	2.9
149.13272	7.5
151.11197	2.9
157.10121	3.1
159.11716	9.6
161.06053	2.1
161.09627	2.2
161.13252	7.0
163.07573	4.3
163.11176	4.2
163.14868	5.9
165.12715	1.5
171.11740	2.3
172.12343	1.2
173.13237	6.7
175.07487	1.4
175.14848	5.3
177.05534	1.5
177.16380	5.4
179.14349	2.2
179.58060	1.3
185.13310	2.3
187.14819	11.3
189.16406	4.4
191.10541	1.3
199.14871	2.3
201.16391	19.8
203.17986	5.7
205.15884	20.8
207.13629	1.8
211.14999	1.2
213.16385	2.8
215.18011	2.8
223.16957	5.4
227.17972	3.0
241.19521	1.5
247.17021	6.6
255.21114	3.9
257.22800	1.9
269.22543	2.1
323.28415	1.2
341.21033	3.7
347.25861	6.9
373.27371	5.4
407.33258	6.9
425.34509	5.7
435.32520	3.0
443.35248	100.0
444.35648	2.7
453.33688	4.6
471.34677	3.8
489.35379	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	489.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02387	0.5
53.03937	0.7
55.01865	0.3
55.05511	1.1
57.03416	0.2
57.07069	0.4
59.05003	0.2
67.05505	1.9
67.86765	0.2
69.03437	1.1
69.07070	1.2
69.79990	1.0
71.05000	0.3
73.06551	0.3
79.01854	3.6
79.05485	0.8
81.03419	2.1
81.07058	3.6
83.04994	1.3
83.08624	0.6
85.02901	0.7
85.06540	0.8
87.00816	0.2
91.05485	1.0
93.07053	1.8
95.04948	0.4
95.08613	2.7
97.02900	1.8
97.06552	0.2
97.10177	0.2
98.20748	0.3
98.21361	0.3
99.04454	0.3
99.08067	0.4
105.07049	1.4
107.01346	0.9
107.08598	2.0
109.02127	0.2
109.02882	4.8
109.06535	0.8
109.10159	5.7
111.08124	0.5
117.06959	0.2
119.08586	2.7
119.09373	0.3
121.06472	0.3
121.10165	1.3
123.04449	0.3
123.08086	1.4
123.11736	1.0
125.02341	2.8
125.09641	0.4
127.03904	0.6
131.04924	0.7
131.08574	0.3
133.10144	1.7
135.08075	0.4
135.11703	4.5
137.05988	0.6
137.09628	1.3
137.13225	0.2
139.11220	0.3
142.04149	0.2
143.03412	5.7
145.10110	0.4
147.04413	0.2
147.11688	0.5
149.09644	0.5
149.13242	1.0
151.03975	0.2
151.07544	0.3
151.11186	0.7
151.14810	0.7
153.01834	100.0
153.02763	3.8
154.02167	0.9
159.04457	1.1
161.09633	0.3
161.13286	0.3
163.03914	0.5
163.11162	0.2
163.14832	0.4
165.01863	0.3
165.09145	0.5
167.07034	0.4
173.13339	0.2
175.14813	1.3
177.05458	0.3
179.10648	0.2
181.01340	0.9
183.02834	0.3
187.03900	0.5
191.14374	0.2
193.15898	3.6
197.11667	0.3
201.12700	0.2
205.04996	1.0
205.12315	0.2
209.15424	0.3
211.16956	1.6
215.03352	0.8
217.05042	0.6
227.16536	0.3
233.04466	2.3
243.02928	0.8
261.03897	1.6
262.57153	0.2
279.04965	2.3
279.26880	0.2
291.26950	0.5
309.28000	0.4
337.20236	0.3
379.22766	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	489.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	4.0
51.51250	2.9
53.03926	9.7
55.01871	17.4
55.05263	3.7
55.05510	43.1
57.03418	8.2
57.07072	4.0
59.04992	4.6
65.03912	6.2
67.05171	4.5
67.05505	79.3
69.03427	5.0
69.07066	19.1
69.93743	6.1
69.94155	8.8
71.04974	12.9
79.05492	95.0
81.03414	33.2
81.07055	82.9
83.01322	6.8
83.04984	28.8
83.08608	19.4
85.02869	4.0
85.06522	5.1
91.03975	3.0
91.05480	83.3
93.07046	87.7
95.04974	44.7
95.08045	4.3
95.08602	55.7
97.02882	7.5
97.06511	10.6
97.10130	6.9
97.46927	2.8
98.21190	8.3
105.07030	66.4
107.04968	25.4
107.08588	43.0
109.02927	3.0
109.06496	14.9
109.10145	17.1
111.04385	8.1
111.08056	6.1
115.05456	4.4
117.07020	29.5
119.07808	3.0
119.08584	42.8
121.06497	8.9
121.10143	27.2
123.08089	18.6
123.11705	5.4
125.09616	10.0
126.02518	3.0
128.06223	4.5
129.07021	22.8
131.08566	22.9
133.06514	6.6
133.10141	17.2
135.08051	6.6
135.11687	29.2
137.09595	4.1
141.06950	3.9
142.07831	3.0
143.08578	13.8
145.06473	8.2
145.10115	36.0
147.08000	6.9
147.11670	40.3
149.09589	7.9
151.11111	2.9
153.12747	6.4
155.08487	2.8
157.06546	3.4
157.10117	5.5
159.11696	5.2
161.09593	5.6
161.13313	15.6
163.11180	40.1
165.09122	3.3
169.10101	4.3
171.11697	31.9
173.09448	4.1
177.12735	3.7
179.10893	3.0
181.12216	8.8
185.09549	3.3
187.14807	3.2
189.12790	15.9
189.16371	4.0
191.10603	9.1
197.13339	3.5
202.60046	2.5
205.15909	18.6
205.90897	3.0
207.13788	30.3
209.11693	22.7
225.14827	3.9
227.12640	18.7
245.84532	2.8
249.14676	4.1
265.14462	3.8
281.17484	7.0
379.22729	3.4
397.23605	3.7
443.35248	42.5
471.27383	10.5
489.28293	100.0
490.28827	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	488.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.0
67.05503	34.9
69.07066	41.4
70.76007	46.5
79.05493	31.4
81.07061	52.3
83.08647	14.7
93.07033	45.4
95.08591	65.1
105.07026	52.8
107.08578	70.5
109.10157	48.1
119.08588	100.0
121.10107	38.2
123.11713	17.2
131.08588	29.6
133.10133	51.5
135.11731	31.0
145.10094	40.0
147.11710	51.9
149.13234	29.9
159.11662	31.0
161.13261	23.9
163.14821	49.9
171.11748	17.5
173.13167	23.6
175.14792	45.7
177.16493	20.7
187.14810	49.6
189.16443	91.1
201.16371	26.7
203.17905	17.6
215.17924	24.7
247.16913	17.2
250.50177	15.8
261.18542	51.0
279.42300	17.0
283.33893	15.3
285.25299	14.6
371.75476	16.7
392.69019	15.7
423.32462	94.5
424.32587	16.0
441.33414	61.4
453.33569	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	489.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02388	0.6
53.00306	0.2
53.03945	0.6
55.01867	0.4
55.05514	1.1
57.03453	0.2
57.07074	0.3
59.04996	0.4
67.05204	0.2
67.05509	1.8
69.03429	1.2
69.07067	1.3
69.49187	0.4
69.49600	1.1
71.04991	0.4
73.06547	0.3
75.29739	0.2
79.01859	3.4
79.05477	0.7
79.05888	0.2
81.03417	2.2
81.07056	2.9
83.04989	1.5
83.08616	0.4
85.02913	0.6
85.06528	0.6
85.61971	0.2
91.05477	1.0
93.07035	1.7
95.04981	0.5
95.08607	2.3
97.02901	1.2
97.06528	0.4
97.10194	0.2
98.21006	0.7
99.04438	0.3
99.08086	0.3
101.06002	0.2
103.05480	0.2
105.07049	1.7
107.01329	0.7
107.04941	0.3
107.08601	2.0
109.02885	4.3
109.06519	1.1
109.10154	5.1
111.04491	0.2
111.08073	0.6
117.07043	0.3
119.08583	2.7
121.02869	4.8
121.06530	0.5
121.10146	1.2
123.00772	0.2
123.08071	2.2
123.11710	0.9
125.02363	2.6
125.09630	0.2
127.03934	1.0
131.04910	0.6
131.08574	0.2
133.10133	2.0
135.08090	0.4
135.11702	4.2
137.05925	0.3
137.09590	1.3
137.13287	0.3
139.03896	0.5
139.11127	0.3
143.03401	6.3
145.06493	0.3
145.10126	0.4
147.07982	0.4
147.11696	0.6
149.09641	0.8
149.13278	0.8
151.03987	0.2
151.07555	0.5
151.11189	0.7
151.14813	0.4
153.01833	100.0
153.02788	4.0
153.12656	0.2
154.02147	1.1
159.04463	0.8
159.08116	0.4
159.11696	0.3
161.09644	0.3
161.13232	0.4
163.03893	0.5
163.11192	0.2
163.14824	0.3
165.09125	0.3
171.11665	0.2
173.13156	0.2
174.10410	0.8
175.07487	0.3
175.14815	1.8
177.05489	0.5
177.09196	0.3
178.04979	0.2
181.01376	0.8
183.02856	0.4
187.03836	0.2
189.12758	2.3
191.10664	0.2
191.14377	0.5
193.15889	4.2
197.00827	0.2
205.05028	0.7
207.13797	2.0
209.15302	1.1
211.16954	0.8
215.03387	0.5
217.04991	0.6
233.04420	2.3
243.02831	0.8
261.03967	1.8
265.06982	0.2
279.04977	3.7
283.08249	0.4
291.26831	0.3
309.27759	0.4
322.29828	0.2
437.28586	0.2
489.21494	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
54.56426	3.4
55.05499	16.5
57.03434	5.5
57.07066	4.8
65.06382	3.7
67.05513	26.8
69.03407	8.6
69.07050	16.9
70.47672	8.9
70.48063	7.9
71.04914	4.0
79.05512	19.7
81.07055	38.9
83.04977	12.3
83.05538	3.3
83.08600	14.3
91.05470	25.4
93.07040	36.9
95.04971	10.1
95.08610	42.8
96.22573	3.7
97.06532	9.5
98.21152	8.1
105.07040	52.1
107.08600	58.7
109.06491	8.7
109.10165	26.5
111.08085	13.1
117.07008	11.6
119.08579	100.0
121.06445	5.3
121.10137	30.9
123.08075	12.8
123.11650	5.4
129.07011	8.1
131.08569	40.6
133.10139	77.2
135.08064	11.0
135.11679	20.2
137.09561	4.6
142.07687	6.2
143.08559	18.8
145.10120	65.5
147.08032	9.5
147.11676	30.4
149.09627	7.2
149.13239	16.1
150.60548	4.4
153.09081	6.9
153.57253	4.7
156.09335	8.9
157.10080	23.0
158.10806	4.7
159.11723	43.2
161.09627	15.1
161.13280	23.9
163.11197	6.3
163.14835	12.1
169.10103	6.8
170.10938	5.3
171.11687	22.1
173.09608	5.8
173.13281	28.4
175.11255	8.7
175.14827	24.7
177.12671	6.6
177.16370	15.7
181.04907	4.8
183.11699	9.0
185.13190	12.6
187.14838	58.8
189.12805	5.5
189.16380	63.4
191.14337	27.4
191.17949	6.8
193.15746	4.4
197.13196	8.3
199.14824	32.0
201.16376	43.1
203.14311	14.3
203.17941	17.5
205.15822	21.3
207.17523	8.0
211.14859	6.4
213.16417	14.3
215.17967	10.7
217.15933	32.5
219.17491	4.6
229.16045	4.9
229.19569	4.6
233.08101	18.2
235.16878	29.4
247.16916	19.1
249.18486	5.0
261.18604	4.2
367.26718	4.8
377.61404	3.7
383.21960	6.9
387.30118	4.3
393.31543	22.5
400.27319	4.2
405.31628	20.9
413.23041	6.4
421.30893	7.7
423.32632	13.6
425.22922	7.5
433.30939	8.0
439.31827	13.1
441.33914	10.5
443.24225	5.1
451.24905	9.2
451.31836	23.5
469.33301	12.2
473.94620	4.5
487.34805	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	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05504	6.8
57.03428	2.0
57.07070	2.3
61.92125	1.4
67.05504	17.0
69.03416	3.9
69.07068	8.0
69.60104	9.8
79.05494	11.1
81.03418	4.3
81.07054	23.6
83.04967	3.8
83.08617	4.1
85.06541	2.2
91.05476	13.7
93.07039	24.0
95.04987	3.7
95.08610	28.1
97.02883	2.1
97.06537	3.3
98.21229	5.3
105.07029	28.7
107.04962	2.0
107.08593	23.1
109.06530	3.4
109.10162	15.2
111.08068	3.7
117.07015	5.7
119.07792	2.5
119.08584	31.5
121.06479	1.7
121.10146	17.3
123.08038	3.2
123.11730	4.4
128.06221	1.8
129.07002	4.7
131.08569	15.8
133.10121	23.8
135.08043	3.4
135.11723	8.6
143.08588	7.3
144.09213	2.2
145.10129	25.0
147.08023	2.5
147.11673	14.6
149.09673	2.2
149.13234	4.5
153.09113	2.0
157.10147	9.9
159.11690	17.3
161.09641	2.9
161.13283	11.8
163.11249	2.4
163.14810	6.6
165.09056	1.8
171.11670	7.5
173.13228	12.9
175.11171	2.7
175.14822	11.6
177.12695	2.0
177.16356	6.0
183.11746	2.7
185.13206	7.1
187.14825	22.8
189.16374	19.0
191.14282	4.4
191.17865	2.1
197.13295	4.2
199.14786	11.3
201.16388	21.6
203.14236	6.0
203.16173	1.6
203.18011	6.8
205.15897	5.8
211.14922	2.8
215.17880	7.6
217.15889	9.2
219.13995	2.0
221.15379	3.1
229.15892	2.6
229.19551	1.6
231.17442	2.4
233.15236	2.0
235.16930	3.4
241.19499	2.4
242.30609	1.6
247.16870	2.6
261.18500	3.7
387.30328	2.2
393.31967	2.6
405.31390	6.3
423.32697	7.5
433.31082	4.4
439.32098	100.0
440.32358	4.6
441.33633	4.3
451.31982	7.0
469.33005	5.2
480.34412	4.3
487.34857	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	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14614	3.9
53.03951	3.5
55.05508	15.7
56.90297	3.8
56.92707	4.5
67.05508	22.1
67.05822	4.6
69.03426	7.0
69.07071	15.4
69.23190	8.4
69.23597	36.6
72.95273	4.1
79.05502	16.0
81.07073	46.3
83.04999	15.4
83.08604	9.7
85.02940	4.2
91.05489	25.6
93.07046	41.7
94.43057	3.9
95.04999	10.2
95.08608	71.3
97.02901	5.0
97.06525	5.9
98.21112	22.5
98.78397	4.9
99.04468	5.0
105.07023	61.7
107.08610	58.0
109.06501	9.7
109.10146	37.5
111.08083	7.2
117.07048	15.7
119.08588	100.0
121.06480	7.0
121.10146	51.0
122.65364	4.1
123.04449	5.6
123.08152	6.0
123.11718	15.9
129.05510	4.7
131.08578	53.5
131.09532	6.1
133.10133	53.4
135.08058	9.6
135.11702	22.2
137.05992	5.0
137.09663	6.1
139.11119	4.7
142.07797	5.1
143.08574	16.4
145.10123	86.6
147.11708	42.2
149.09637	13.8
149.13237	28.2
153.01912	5.5
157.10114	20.2
158.10881	7.0
159.11691	59.2
160.14461	5.3
161.09671	12.8
161.13268	21.9
163.07576	5.7
163.11136	5.3
163.14876	15.6
171.11699	18.7
173.13264	51.2
175.11261	7.8
175.14812	48.3
177.16420	16.1
178.05043	7.8
183.11736	9.0
185.13193	22.1
187.14807	91.2
189.16351	47.6
191.14304	35.0
191.17952	5.0
197.13284	6.6
199.14801	29.5
201.16391	81.3
203.14319	23.9
203.18004	24.6
205.15889	38.6
207.17406	8.9
209.15398	6.4
211.14812	5.8
213.16284	9.1
215.14273	6.3
215.17944	10.6
217.15950	14.1
219.17619	5.8
219.55635	4.6
221.15427	14.9
229.19554	4.1
231.17517	7.0
233.19075	5.7
235.16916	12.4
247.16971	9.5
269.22256	4.0
295.10388	4.0
375.30472	5.0
393.31436	8.8
395.09183	4.0
405.31479	40.2
407.32950	8.2
408.06201	4.5
421.30869	8.9
423.32553	10.8
441.33575	20.4
443.19958	4.1
451.32202	22.0
487.12024	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	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.2
57.07064	6.6
61.06568	4.7
65.68738	5.0
67.05500	32.6
69.03434	14.7
69.07070	26.1
71.04984	6.1
79.05495	22.2
81.03425	7.2
81.07055	63.7
81.84777	5.1
83.04971	21.5
83.08609	12.9
85.02918	6.1
85.06554	9.2
91.05477	29.1
93.07047	52.5
95.04987	15.6
95.08611	67.9
97.02888	6.3
97.06506	14.4
97.10168	7.5
98.21358	25.0
105.07033	68.1
107.08598	72.5
109.06538	13.0
109.10168	36.5
111.08112	9.3
117.07021	16.0
119.08588	100.0
121.06519	14.4
121.10132	55.5
123.08055	6.2
123.11698	16.3
125.09639	11.2
127.03923	6.6
131.08562	55.4
133.10132	55.3
135.08087	16.4
135.11676	29.9
137.05933	9.4
137.09604	7.0
142.21332	5.5
143.08589	16.0
145.10130	99.5
147.11690	41.3
149.09618	10.7
149.13223	28.6
151.07536	7.4
157.10127	27.6
159.11690	47.1
161.09561	14.6
161.13258	25.5
163.11197	10.4
163.14819	24.0
165.09081	9.1
165.12817	6.2
167.07045	6.0
169.10159	5.8
171.11719	21.2
172.12447	7.2
173.09578	5.7
173.13266	59.1
175.14792	44.8
177.12790	13.5
177.16435	17.2
178.05003	29.1
183.11720	7.7
185.13243	20.5
187.11166	6.1
187.14809	98.6
189.12733	5.6
189.16409	25.1
191.14297	39.4
199.14821	24.0
201.16389	75.2
203.14331	20.9
203.17993	20.5
205.15880	45.1
207.17500	8.9
209.15344	8.3
213.16360	9.7
215.14369	5.8
215.17924	9.0
217.15988	8.3
218.66022	5.5
221.15376	13.7
247.16951	6.0
302.54660	6.4
405.31531	26.3
423.32382	19.2
441.33716	22.3
451.31735	21.6
487.21332	14.9
487.31772	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.91576	2.9
51.03331	3.8
53.03952	3.2
53.73256	3.3
55.05511	15.3
60.73304	2.9
67.05508	14.0
67.42686	3.9
69.03413	4.2
69.07070	10.6
69.78541	17.1
73.06573	3.2
79.05489	15.2
81.07057	43.3
83.04979	12.0
83.08612	6.1
91.05482	22.9
93.07050	45.3
95.04987	4.7
95.08606	61.4
97.06532	5.2
99.08098	11.6
103.05504	3.9
105.06375	5.9
105.07031	74.5
107.08592	57.9
109.06534	4.2
109.10159	21.4
111.08039	4.6
117.07061	17.3
119.08584	100.0
121.06510	4.7
121.10159	48.2
123.08085	6.4
123.11703	15.0
125.09676	5.8
129.07028	5.7
131.08578	54.1
133.10141	58.5
135.08066	4.8
135.11674	19.0
137.09605	11.0
139.11180	6.3
143.08574	12.4
144.09421	4.4
145.10143	69.0
147.08011	5.2
147.11713	61.8
149.09592	3.7
149.13290	14.4
153.01843	4.7
156.09364	4.8
157.10138	21.2
158.10947	5.8
159.11702	56.5
160.12111	3.7
161.09589	8.7
161.13249	23.1
163.11185	12.7
163.14793	10.4
165.09134	9.0
169.10121	6.9
170.11012	4.7
171.11739	16.5
173.13268	43.4
175.14818	52.5
177.12761	9.2
177.16385	36.5
183.11725	5.4
185.13280	23.7
186.14211	4.0
187.14833	78.0
189.12727	4.1
189.16362	28.7
191.14307	15.6
193.15816	5.2
197.13271	8.1
199.14815	31.6
201.12724	3.8
201.16393	63.7
203.14276	33.1
203.17940	11.9
205.15898	75.5
207.13853	8.0
207.17401	3.8
209.15358	4.6
211.14751	9.0
213.16370	13.7
215.14362	5.8
215.17940	10.3
217.15948	9.3
219.17426	7.5
221.15411	18.9
229.15865	4.0
247.17044	4.7
249.14822	4.6
301.42053	3.3
377.32001	3.9
387.30231	4.9
393.31339	4.4
405.31396	30.2
411.33026	4.5
423.32623	27.9
433.30823	6.0
439.31851	6.0
441.33740	8.6
451.31992	17.9
469.33286	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.05503	2.1
55.05753	0.4
57.07063	0.5
57.42370	0.5
67.05506	3.6
69.03419	0.6
69.07061	3.2
71.05006	0.6
71.58057	0.7
74.09704	0.6
79.05495	2.5
81.07053	5.6
83.04996	2.6
83.08612	1.4
84.30466	0.4
91.05461	3.9
93.07040	6.5
95.04978	0.9
95.08607	10.3
97.06533	1.0
97.10128	0.6
98.15035	0.4
105.07037	9.1
107.08591	8.4
109.06533	1.5
109.10163	6.4
111.08074	1.1
117.07019	1.5
119.08587	12.2
119.09225	0.4
121.06517	0.9
121.10147	10.8
123.08084	1.7
123.11722	2.6
125.09584	0.6
126.29696	0.5
128.06201	0.8
129.06976	1.1
131.04958	0.5
131.08586	4.3
131.15361	0.4
132.81158	0.4
133.06532	0.5
133.10136	11.3
133.11084	0.9
135.08102	2.2
135.11693	6.3
137.09639	1.2
137.13228	0.6
139.07626	0.6
143.08586	2.1
145.06488	0.6
145.10127	7.0
147.08080	1.5
147.11696	5.3
149.09631	2.1
149.13261	3.3
151.11261	0.5
153.09151	0.9
153.31204	0.5
155.08632	1.3
157.10147	4.5
158.10875	0.8
159.08133	0.7
159.11699	4.3
161.09621	3.3
161.13260	4.2
163.07552	1.0
163.11281	1.0
163.14861	1.9
165.09167	0.6
169.10150	1.7
171.11731	3.1
173.09619	1.0
173.13251	5.0
174.22975	0.5
175.11189	1.6
175.14844	8.3
177.12735	0.8
177.16435	1.3
183.11716	1.9
185.13275	1.8
187.11195	0.7
187.14824	6.9
189.12743	1.1
189.16394	8.9
191.14326	0.6
191.17979	1.4
193.15898	1.5
197.13286	2.0
199.14835	4.1
201.12715	1.5
201.16364	1.9
205.15906	1.3
211.14838	1.4
213.16396	1.3
215.14294	5.4
215.17853	1.1
217.15872	3.4
225.16345	1.0
227.17860	1.6
229.15877	1.1
229.19611	0.6
233.15437	1.7
233.56003	0.5
235.16971	1.9
239.17966	1.0
241.19562	0.7
251.16301	2.9
253.19553	1.3
267.21039	1.0
267.72760	0.6
271.20636	1.7
283.20572	0.7
291.21048	0.5
309.22095	0.6
317.21417	0.5
405.31705	3.4
423.32739	2.2
433.31152	3.4
441.33786	4.0
451.32138	11.7
469.33298	7.7
487.34201	100.0
488.34415	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	487.342
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05516	2.1
57.07072	1.0
60.71204	0.4
67.05509	3.3
69.03428	1.0
69.07069	3.1
71.57958	0.6
79.05492	2.0
81.07053	6.9
81.58452	0.4
83.04983	3.5
83.08615	1.3
84.27449	0.3
85.06546	0.6
91.05482	3.8
93.07049	5.0
95.04967	1.1
95.08042	0.7
95.08611	8.1
97.02867	0.4
97.06519	1.5
97.10143	0.5
105.07036	10.7
107.04939	0.6
107.08595	7.7
109.06522	2.0
109.10160	5.8
111.08065	1.2
117.07006	1.2
119.08582	12.7
121.06473	1.0
121.10144	7.0
123.08099	2.0
123.11708	2.2
125.09653	1.0
129.07014	1.3
131.08562	3.5
133.06502	0.7
133.10130	11.0
135.08069	1.5
135.11696	3.6
137.09601	0.9
139.07594	0.5
141.07005	0.8
142.07793	0.5
143.08542	2.6
145.06445	0.7
145.10120	5.8
147.08057	1.1
147.11700	5.1
149.09619	2.1
149.13249	2.0
151.11195	1.6
153.09093	1.0
155.08592	1.2
157.10150	3.7
158.10915	0.6
159.08069	0.9
159.11697	2.9
161.09630	2.4
161.13268	3.0
163.11154	0.7
163.14810	2.6
169.10172	1.3
171.11662	2.5
173.09668	1.1
173.13272	5.4
175.11226	1.4
175.14825	8.3
177.09160	0.5
177.12814	0.8
177.16409	1.3
182.10904	0.7
183.11723	1.6
185.13286	1.9
187.11217	0.6
187.14836	7.0
189.12804	0.9
189.16383	13.4
191.14365	1.2
191.17982	0.9
193.15855	0.6
197.13315	3.1
199.14822	3.8
201.12750	0.6
201.16437	1.7
203.14349	0.6
203.17996	0.6
205.15802	2.1
207.17435	1.1
209.13441	0.5
211.14844	1.5
213.16359	1.6
215.14323	3.8
215.17783	0.8
217.15886	7.2
223.14824	0.4
225.16490	0.6
227.18011	1.2
229.15883	1.2
229.19548	1.0
231.14035	0.5
231.17393	1.1
233.15306	2.1
235.17010	2.7
239.17986	0.7
241.19395	0.8
243.17574	1.0
243.21027	0.9
245.19135	1.0
251.16460	1.4
253.19432	2.4
257.19061	0.6
261.14966	0.6
267.21088	0.6
271.20602	5.0
299.20126	0.8
301.21902	0.6
317.21210	1.0
387.30597	0.5
405.31552	3.6
423.32681	4.0
433.30997	0.7
441.33664	7.2
451.31976	3.1
469.33292	3.4
487.34204	100.0
488.34445	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.58696	4.6
55.05510	25.5
67.05486	23.2
69.03403	5.8
69.07056	20.9
79.05495	24.4
81.07056	59.8
83.04984	18.8
83.08622	8.2
91.05477	32.0
93.07037	42.6
95.04966	9.7
95.08617	72.7
95.98066	5.3
97.06512	9.4
97.10171	6.6
98.20770	18.8
98.21497	17.2
99.08076	12.7
105.07036	73.0
107.08597	75.3
109.10167	30.5
111.08070	8.7
117.07011	14.6
117.82230	4.9
119.08593	100.0
121.06540	8.0
121.10126	44.1
123.08083	7.5
123.11693	22.5
125.09650	8.3
128.06201	5.2
129.06952	7.2
131.08575	54.4
133.10115	64.4
135.11653	24.8
137.09613	6.2
143.08583	23.8
145.10123	78.4
147.08032	6.3
147.11697	49.5
149.09679	5.5
149.13252	20.0
151.11172	5.0
153.09084	6.4
155.08557	5.8
157.10187	34.1
159.11694	56.9
159.63611	5.0
161.09557	7.9
161.13295	23.8
163.07472	6.1
163.14845	10.6
165.09097	5.6
165.64601	5.2
169.10078	7.4
171.11685	18.7
173.13272	46.4
175.14803	57.5
176.23363	5.3
177.16414	28.6
183.11700	14.0
185.13264	41.9
187.14830	82.1
189.16327	24.8
191.14328	12.2
193.15858	9.6
197.13219	12.7
199.14793	29.1
201.16382	73.6
203.14256	30.1
203.18004	11.7
205.15906	88.5
209.13416	5.4
211.14709	6.8
213.16345	16.4
215.17944	8.4
217.15913	10.8
219.17514	8.5
221.15408	6.8
231.17506	7.9
235.16876	7.7
247.16812	7.7
249.14943	17.1
360.33240	5.4
363.27567	5.9
387.30258	11.4
405.31488	35.6
421.30856	7.6
423.32605	33.2
433.30948	19.3
441.33261	12.2
451.32239	25.2
453.49664	5.1
469.33267	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05521	4.1
56.12289	0.9
56.96566	2.1
67.05509	6.9
69.03421	2.1
69.07071	4.8
79.05508	5.6
81.03428	1.8
81.07065	9.3
83.04990	2.7
83.08612	2.3
85.02905	1.4
91.05495	7.3
93.07052	10.2
95.04992	2.8
95.08614	12.3
97.06528	2.1
98.20689	1.5
98.21371	4.6
105.07040	13.2
107.08595	13.9
109.06548	1.9
109.10163	8.0
111.08073	1.4
117.07047	2.4
119.08585	20.7
121.06517	2.8
121.10153	9.7
123.08086	2.7
123.11715	3.2
124.67690	0.8
129.07045	3.2
131.08583	8.7
133.10135	14.3
135.08067	2.4
135.11731	4.2
137.09624	1.9
141.07098	1.1
143.08580	3.2
144.54959	0.9
145.10144	9.9
147.08069	2.8
147.11707	9.9
149.09586	2.0
149.13269	2.8
151.11227	1.2
153.09145	1.3
155.08502	1.5
157.10143	5.6
158.10767	1.0
159.08112	1.0
159.11661	8.2
161.09659	3.2
161.13260	4.8
163.11256	1.2
163.14877	3.4
165.09082	1.2
169.10197	1.0
171.11749	4.1
171.13126	1.0
173.09692	1.6
173.13239	7.9
175.11256	2.8
175.14832	6.7
177.16400	2.2
183.11789	2.8
185.13316	3.8
187.11325	1.9
187.14810	7.1
189.12817	1.4
189.16371	9.3
191.14386	2.7
191.18040	2.6
194.11015	0.9
197.13362	2.5
199.14836	4.9
201.12804	1.5
201.16440	3.5
203.14365	3.1
203.17996	2.2
205.15933	2.3
207.17484	1.8
209.15318	1.5
213.16498	2.0
215.14362	1.7
217.15977	3.9
227.17943	1.7
227.29419	1.1
227.68636	1.0
229.25114	1.0
233.08307	1.0
235.16978	3.6
239.17917	1.2
240.97499	1.0
241.19556	1.6
243.09065	1.3
243.21179	1.3
247.16986	1.0
251.16405	5.1
257.19019	1.7
271.20642	1.3
285.10297	2.0
365.28561	1.0
371.44360	1.1
405.31644	2.5
423.32657	2.6
441.33798	6.2
451.32217	2.8
469.33417	1.2
487.34274	100.0
488.34402	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	487.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03944	10.9
55.01855	5.6
55.05515	23.1
56.83719	1.6
57.03411	2.5
65.03939	4.4
65.83657	1.6
65.98311	1.3
67.05510	76.5
69.03423	3.9
69.07077	15.8
69.42735	3.9
69.43164	7.9
71.04980	3.9
72.44315	1.3
73.06548	3.3
73.83573	1.3
77.03941	2.6
79.05499	100.0
81.03423	14.6
81.07066	60.5
83.04982	17.4
83.08601	6.0
85.06543	4.1
91.05488	83.8
92.06810	1.6
93.07053	70.1
95.04977	30.8
95.08614	38.3
97.06553	9.1
97.10160	3.5
98.21125	7.2
103.05477	2.9
105.04514	2.8
105.07034	54.3
107.04966	12.0
107.08605	28.1
109.06515	9.9
109.10139	8.1
111.08070	4.2
115.05400	3.4
115.41245	1.4
117.07002	12.5
119.07789	2.7
119.08589	34.0
119.09435	2.3
121.06527	4.0
121.10122	10.1
123.08065	10.6
123.11728	2.0
125.09687	1.6
128.06219	3.6
129.07013	21.9
131.08542	5.6
133.06512	2.0
133.10150	20.5
134.47476	1.4
135.08017	2.7
135.11716	8.3
137.09544	2.1
141.09135	1.5
143.08556	11.3
145.10132	17.6
147.08070	3.8
147.11693	45.2
149.13274	2.1
156.09300	2.2
157.10101	4.0
159.11716	4.7
161.09644	7.2
161.13272	23.6
163.11197	2.9
169.10172	1.9
171.11702	44.9
173.13228	5.0
175.11224	1.9
175.14717	1.7
177.12817	1.9
177.16344	1.6
179.14273	5.7
185.13203	3.3
187.14813	4.2
189.12762	21.1
189.16342	3.1
199.14749	2.5
201.16216	1.7
207.13823	41.9
213.16383	1.5
215.14417	2.5
217.15889	1.5
225.14822	9.3
281.17456	5.8
405.31479	3.0
423.32697	3.6
451.32083	24.5
469.33502	9.6
487.30432	57.5
497.54916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral B
Peak:m/z	Relative Intensity
53.03941	6.1
55.05508	11.2
65.10699	1.7
67.05508	32.8
69.07074	9.9
71.04973	2.1
79.05496	42.1
79.05958	2.8
81.03426	6.6
81.07059	34.5
83.04975	9.2
83.08620	4.5
91.04949	3.5
91.05489	35.9
91.70470	1.6
93.07040	38.3
95.04985	13.1
95.08618	26.0
97.06539	4.5
97.10182	4.1
98.21229	10.8
103.05427	2.2
105.07040	35.6
107.04965	4.7
107.08598	24.0
109.06541	3.1
109.10138	13.8
109.11356	1.8
111.04404	2.3
115.05463	2.2
117.07036	9.1
119.08589	32.4
121.06542	3.8
121.10145	17.4
123.08062	4.8
123.11700	3.1
125.09653	1.8
129.07028	9.1
131.08589	7.1
131.78000	1.8
133.10130	29.9
135.08089	3.7
135.11708	17.5
137.09628	3.1
143.08583	7.8
145.10144	17.8
147.08060	2.7
147.11687	27.1
149.13274	7.3
155.08508	2.1
157.10159	6.3
159.11720	7.8
161.09639	7.9
161.13277	10.3
169.10161	2.5
171.11702	21.4
172.12497	2.0
173.09625	3.6
173.13272	10.7
175.14746	12.2
177.12839	2.4
179.14351	2.7
185.13249	4.6
187.11206	2.5
187.14801	11.3
189.12767	7.1
189.16364	11.9
199.14790	4.7
201.16428	2.6
207.13818	16.5
207.68411	1.8
211.14873	3.0
213.16399	3.1
215.14368	6.7
217.15897	5.4
225.14836	2.8
233.15233	2.0
241.19469	4.1
243.17529	2.6
257.18936	2.0
279.20630	1.7
289.18063	2.9
302.11002	2.0
313.21359	2.2
377.31879	2.6
387.30441	2.5
389.69772	1.8
404.84952	1.9
405.31506	9.3
423.32745	2.5
433.31125	4.8
441.33850	3.6
451.32123	100.0
452.32471	2.8
463.45404	2.0
469.27469	2.5
469.33313	35.7
470.34152	2.2
487.29315	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01870	0.3
55.05514	1.1
55.52420	0.2
57.03434	0.4
57.07092	0.3
59.27112	0.3
61.02936	0.5
65.03944	1.2
67.05505	1.0
69.03437	2.7
69.07070	0.8
70.63100	0.6
70.63488	0.5
71.04999	0.8
76.02221	0.5
79.05487	0.7
80.34779	0.2
81.03420	2.0
81.07054	2.2
83.04987	5.1
84.04512	0.3
84.05316	0.8
85.02911	3.3
85.06540	0.8
91.05483	11.8
93.07050	1.6
95.04979	0.5
95.08616	2.4
97.02899	1.4
97.06532	0.5
98.21235	0.5
99.04465	0.4
99.88000	0.3
104.04990	0.9
105.07027	1.4
106.07394	0.5
107.08578	1.3
109.02880	1.0
109.06551	0.6
109.10173	1.9
110.10456	0.3
115.03974	0.3
119.04948	22.2
119.08574	1.5
121.06511	0.3
121.10149	0.8
122.06027	0.3
123.59858	0.3
125.09700	0.4
127.03938	2.0
132.04469	5.1
133.10121	0.8
135.11670	0.9
137.02359	3.8
145.10141	0.5
146.47375	0.3
147.04414	79.8
147.11678	0.4
148.04742	0.9
149.13365	0.3
151.07605	0.3
151.11259	0.5
153.12724	2.3
155.03415	0.6
157.10217	0.4
161.13229	0.4
162.02179	0.5
165.05519	0.4
175.14870	0.5
178.05000	100.0
179.05083	1.4
179.14305	0.6
185.13293	0.5
187.14824	0.4
189.16400	0.4
191.14203	0.3
203.14307	0.3
233.06137	0.3
248.72031	0.3
256.71277	0.3
291.08746	1.7
299.07578	1.1
309.09622	1.6
323.26059	0.4
324.26059	0.4
340.06238	0.5
340.10260	6.4
413.26233	0.3
415.59711	0.3
486.30856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.5
53.03939	1.3
53.46655	0.4
55.01873	1.1
55.05509	2.9
57.07078	0.8
65.03946	1.4
67.05504	5.0
68.69556	0.5
69.03433	6.3
69.07076	2.1
69.83134	2.4
71.04993	0.7
73.06522	0.7
79.01857	1.7
79.05494	8.0
81.03424	1.8
81.07061	9.3
83.04966	3.6
85.02899	1.2
85.06548	1.0
91.05487	9.7
93.07053	5.6
95.04962	2.7
95.08616	2.8
97.02885	1.5
97.06528	0.7
98.21117	1.6
99.04449	0.5
101.06024	0.5
103.05479	1.0
105.07044	12.0
107.04970	5.1
107.08602	24.7
109.02871	2.8
109.06532	4.0
109.10163	8.4
111.08087	0.8
113.03459	0.9
115.05470	2.3
117.07001	2.9
119.06066	0.6
119.08592	5.9
121.06520	2.9
121.10150	11.0
122.07310	7.0
123.08086	2.4
125.02370	0.9
127.03899	2.2
131.08563	3.3
133.10136	100.0
133.48608	0.4
134.10448	0.9
135.08058	13.5
135.11688	1.5
137.09621	64.7
138.10078	0.6
143.03372	1.9
143.08543	1.3
145.04895	0.6
145.06549	0.5
145.10112	1.8
147.11743	2.8
149.09619	3.4
149.13286	9.4
151.11163	0.8
152.58412	0.5
153.01837	43.1
153.02864	1.5
154.02197	0.5
158.10930	1.7
159.04462	0.5
161.09657	1.1
162.10133	0.6
163.11234	0.5
163.14793	1.7
165.09100	0.6
171.11754	0.8
173.13261	7.2
179.06967	0.6
189.12738	1.2
191.14317	46.1
207.13803	2.0
209.15393	0.5
211.10800	1.0
231.13887	0.6
279.05017	2.3
307.18906	1.1
335.18109	0.6
363.19907	0.5
454.96933	0.6
487.19537	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01865	3.4
55.05515	11.0
57.07091	2.3
59.05005	6.2
61.99785	2.6
67.05515	21.4
69.03439	12.2
69.07094	4.4
71.04987	2.9
71.22911	2.1
71.52815	2.3
71.56943	4.7
73.06559	32.0
74.06239	2.1
79.05499	8.9
80.17607	2.2
81.03411	7.4
81.07070	14.9
83.04989	14.2
85.02909	18.0
85.06558	7.2
87.32078	2.2
91.05480	12.4
93.07059	13.1
95.04981	7.7
95.08621	63.3
95.34810	2.3
97.02893	15.7
97.06551	4.0
98.21311	3.0
99.04495	4.8
101.06025	9.6
105.07045	22.2
107.08611	25.1
109.02908	10.3
109.06519	7.7
109.10148	5.1
109.74518	2.5
111.08138	2.8
113.06013	6.8
119.07088	6.6
119.08595	24.0
121.06551	4.8
121.10149	12.0
122.07333	2.7
123.08078	28.7
123.11726	4.7
127.03906	13.7
131.08566	7.5
133.10138	48.3
134.10431	3.1
135.08054	9.5
135.11743	13.7
137.06041	2.6
137.09631	42.7
143.08569	3.0
145.04999	7.6
145.10159	5.2
147.08058	4.5
147.11723	11.7
149.09636	77.4
149.13246	4.2
151.07550	2.8
153.01866	17.9
159.08122	2.3
159.11803	2.7
161.09651	9.8
161.13275	8.8
163.11234	7.3
165.09184	4.0
165.12796	8.6
171.11711	4.2
173.13280	3.4
174.10463	3.9
189.09134	3.0
189.12758	33.1
191.14333	23.7
201.12979	2.7
207.13829	100.0
236.88945	2.3
238.17278	2.5
245.10167	3.7
263.10513	2.2
285.03915	2.7
351.14713	3.6
353.68091	2.4
468.08786	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	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.7
57.03435	5.0
57.07074	8.1
61.11644	5.3
67.05509	35.8
69.03440	29.3
69.07066	10.5
69.60614	8.6
69.61024	23.7
71.04966	7.8
71.20959	4.9
72.96090	4.0
73.06570	27.0
73.06902	4.6
79.05492	17.9
81.02957	5.1
81.03435	11.7
81.07066	35.1
83.04973	17.5
83.08604	6.0
85.02904	15.5
85.06544	15.8
91.05468	18.0
93.07061	29.2
95.04965	14.5
95.08612	100.0
95.09217	3.8
97.02887	12.8
97.06541	6.7
98.20861	10.2
98.21466	9.7
99.04476	6.8
101.06026	4.7
103.05495	7.6
105.07024	41.8
107.04947	7.5
107.08602	42.1
109.02872	12.8
109.06540	8.1
109.10149	18.3
112.90731	4.9
113.06017	10.8
117.06998	5.4
119.08576	36.4
120.94115	5.1
121.06495	10.3
121.10150	29.8
122.07288	12.2
123.04416	5.6
123.08076	40.9
123.11710	11.8
125.09624	5.2
127.03893	14.9
131.08568	12.5
133.09232	7.5
133.10147	94.9
134.10457	5.2
135.08063	12.2
135.11725	23.3
137.05991	15.5
137.09633	60.7
145.10152	6.5
147.04465	9.0
147.11685	18.1
149.09636	54.9
149.13324	10.5
151.07568	9.8
151.11235	6.6
153.01833	99.2
153.02962	11.2
159.11656	7.9
161.09628	13.0
161.13257	15.3
163.07524	7.2
163.11211	18.4
163.14922	4.8
165.09142	33.0
165.12718	9.5
171.11615	6.1
173.13255	10.9
174.30026	4.6
177.05452	6.5
179.10710	6.2
184.78537	4.6
189.12767	28.3
191.14282	37.9
207.13797	89.6
207.15704	5.8
209.15437	8.0
211.10789	7.0
225.14838	6.6
423.47177	5.6
468.78659	5.5
487.21338	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	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
53.97325	2.5
55.05504	12.1
59.04997	13.1
67.05504	8.4
69.03429	10.7
69.63639	5.1
69.64059	15.4
71.04967	4.1
73.31334	2.8
79.05509	5.0
81.03431	7.8
81.07064	9.6
83.05000	22.1
84.78285	3.0
85.02924	14.3
85.06525	9.4
91.05476	7.9
93.07026	9.2
95.04968	4.0
95.08606	25.7
97.02887	11.2
97.06573	4.2
98.21306	9.0
99.04446	6.9
101.06026	15.2
105.07040	11.4
107.08571	13.2
109.02869	9.5
109.06516	5.6
109.10201	3.3
109.33994	3.0
113.03493	4.2
119.07080	4.1
119.08596	13.9
121.06551	3.9
121.10145	7.5
123.08086	21.8
127.03902	11.7
131.08577	3.7
133.06508	3.5
133.10135	7.7
135.08063	4.6
137.09651	6.8
145.04958	7.1
145.10132	3.7
146.59073	3.5
147.11699	8.9
149.09619	63.8
149.10744	5.5
153.01825	9.9
161.09593	4.3
161.13255	8.2
165.09123	4.0
171.11740	8.0
189.12767	24.9
190.50079	3.6
207.13818	100.0
241.13918	3.0
245.10184	7.6
487.21454	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	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03944	5.0
55.05516	12.5
57.07069	5.7
67.05503	14.4
69.03419	7.9
69.07063	13.0
69.27190	20.0
71.04976	4.5
78.14532	1.9
79.01853	3.6
79.05499	12.6
80.05833	1.8
81.03424	10.6
81.07050	28.0
83.04982	12.0
83.08604	5.6
85.02895	5.9
85.06545	2.2
87.04523	2.1
91.05476	18.3
93.07047	25.4
95.04956	5.9
95.08613	53.8
97.02895	5.3
97.06514	6.6
98.21407	6.3
99.04437	5.5
99.08087	2.5
103.05479	2.4
105.07033	42.9
107.08598	43.5
109.02882	4.4
109.06508	7.9
109.10134	20.9
111.08068	4.9
113.09646	17.8
117.07024	10.8
119.08585	76.6
121.06512	6.1
121.10149	22.5
123.08089	5.9
123.11707	8.8
125.02380	3.0
125.09628	2.7
127.03909	6.7
127.11232	2.2
129.07014	9.4
130.07770	3.8
131.08577	38.4
133.10133	31.6
135.08061	7.2
135.11720	11.0
137.09587	5.0
141.06978	2.8
141.33708	2.0
142.07794	9.1
143.03381	9.8
143.08565	19.0
144.09360	3.0
145.10130	72.1
147.08061	3.0
147.11699	18.6
149.09587	6.4
149.13258	13.1
151.07516	2.8
153.01834	100.0
153.12769	18.1
154.02190	4.1
155.08531	6.0
156.09328	8.9
157.10118	34.0
157.11313	3.2
158.10822	2.2
159.08064	2.2
159.11685	45.0
161.09604	7.2
161.13266	16.5
163.07547	5.5
163.11172	4.0
163.14830	9.6
169.10129	5.9
169.12193	2.8
170.10942	12.5
170.12337	2.4
171.02870	5.6
171.11699	18.5
171.13823	3.8
172.12531	3.0
173.13268	38.6
175.11162	3.6
175.14822	19.3
177.12845	3.9
177.16408	8.7
181.10114	6.7
182.10918	2.8
183.11720	18.3
184.12453	3.5
185.13255	46.4
187.13121	4.0
187.14824	76.9
189.12755	6.5
189.16367	17.9
191.14302	19.2
197.13307	13.1
199.14819	51.8
201.16382	41.3
203.14334	9.3
203.18088	2.9
205.15877	24.1
207.13853	3.5
209.15388	9.1
211.10771	3.6
211.14946	4.5
213.16397	7.2
215.14339	7.9
215.17950	7.4
217.15904	9.9
219.13881	2.3
221.15440	5.6
223.14915	2.7
225.16383	3.3
227.17934	3.6
231.17468	5.5
233.15422	7.5
233.18860	4.9
237.16592	2.2
245.15254	4.3
247.16972	2.7
297.06009	5.9
315.07193	7.3
323.18454	6.0
375.30087	2.5
403.30023	6.2
405.31528	5.7
419.29279	5.5
421.31180	4.5
437.30545	3.3
441.33566	3.6
445.79935	2.4
449.30850	10.8
467.31387	4.7
485.19748	4.2
485.32706	5.6
489.24820	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	486.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03947	0.5
58.74738	0.2
65.03939	0.9
66.20985	0.2
69.03432	2.2
71.04979	0.2
71.09052	0.4
77.03940	0.3
81.03419	2.8
81.07055	0.2
83.35190	0.2
85.02911	1.4
91.05482	9.1
97.02885	0.5
99.04453	0.4
104.05006	1.0
109.02884	0.9
119.04948	22.1
122.06051	0.6
127.03912	1.0
132.04449	4.4
147.04413	100.0
148.04739	0.8
162.45976	0.2
165.05489	1.9
178.04997	79.8
179.05296	0.5
185.48457	0.2
195.38527	0.2
242.08653	0.2
290.29968	0.2
291.08621	5.1
309.09665	3.7
320.75961	0.2
340.10309	2.5
461.07254	0.2
486.13678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75162	2.4
53.03944	4.3
55.05511	14.9
57.07080	6.4
58.90530	2.1
65.03941	3.9
65.46423	1.8
67.05515	14.1
69.03436	3.3
69.07063	15.6
69.52515	16.4
71.04975	3.4
79.05482	17.5
81.07057	41.6
83.04979	9.6
83.08611	5.6
91.05479	25.9
93.07036	33.5
95.04965	6.7
95.08612	51.5
97.06574	3.6
97.10186	3.5
98.21310	7.4
99.04486	2.7
105.07037	65.5
107.08600	50.3
109.06536	5.3
109.10167	22.4
111.08094	6.7
117.07018	13.0
119.08582	92.1
121.06509	5.8
121.10149	31.7
123.08086	3.0
123.11714	9.8
125.09653	2.2
128.06192	4.3
129.06998	7.3
130.07771	2.7
131.08569	49.8
133.10130	43.4
133.11070	3.4
135.08086	7.4
135.11691	14.5
137.09622	3.6
141.06966	3.5
142.06732	2.2
142.07799	13.2
143.08549	26.9
144.09363	4.3
145.10133	100.0
147.08076	3.2
147.11674	26.2
149.09624	4.2
149.12236	3.3
149.13245	17.0
155.08577	6.7
156.09319	12.0
157.10139	53.8
157.11459	3.0
158.10918	5.1
159.08067	2.9
159.11697	54.9
161.09616	10.3
161.13257	25.4
163.07578	4.9
163.11162	2.7
163.14833	11.6
167.08589	3.5
169.10121	10.3
170.10944	18.6
171.11696	28.7
172.12440	3.8
173.13261	57.2
175.11166	6.3
175.14838	23.8
177.12785	6.1
177.16432	5.5
181.10152	5.9
182.10916	3.0
183.11681	26.5
184.12450	4.4
185.13266	54.9
187.14824	95.1
189.12782	7.0
189.16377	22.5
191.14325	20.5
197.13336	13.1
199.14838	69.5
201.12714	3.4
201.16380	52.8
203.14268	17.2
203.17995	6.2
205.15891	34.6
209.13440	4.0
209.15385	13.1
211.14879	5.9
213.16411	9.8
215.14388	5.9
215.18074	6.7
217.15863	14.3
219.17461	5.5
221.13383	3.0
221.15434	8.6
223.14836	3.0
225.16412	3.5
227.17973	6.0
231.13863	3.4
231.17404	4.8
233.15402	8.7
233.18965	4.1
235.16966	3.9
241.19583	3.2
245.15424	7.1
247.16951	3.5
253.19513	2.4
267.21170	2.4
385.29126	2.6
387.30637	2.6
391.29901	3.9
403.30133	13.5
405.31598	9.7
421.31387	6.0
423.32581	3.1
437.30600	5.8
439.32077	2.8
441.33722	4.0
449.30377	15.2
467.31473	7.3
485.32904	18.7
490.62558	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	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13898	3.4
53.03941	7.5
55.05506	20.8
57.07070	7.3
59.04982	3.3
63.86245	3.4
67.05505	26.7
69.03426	15.4
69.07072	23.5
69.07390	3.1
71.04991	8.1
71.08575	6.2
79.05500	22.3
80.59138	3.4
81.03430	9.5
81.07061	69.4
83.04990	24.1
83.08604	8.6
85.02905	14.2
85.06561	7.1
89.06030	3.6
91.05461	30.8
93.07043	59.5
95.04965	12.1
95.08608	71.7
95.17900	3.2
97.02879	5.8
97.06539	8.5
97.10146	4.7
99.04444	6.5
105.07031	81.5
107.08601	71.0
109.02876	7.1
109.06533	12.9
109.10152	38.7
111.08099	10.5
111.11726	4.1
115.05506	5.0
117.07042	10.5
119.08581	100.0
121.06503	10.8
121.10144	50.9
123.08068	10.2
123.11719	18.6
125.06011	3.8
125.09633	8.7
127.03963	9.4
128.06300	3.8
129.07077	8.5
131.08569	55.4
133.06493	6.8
133.10135	58.4
135.08076	14.1
135.11694	21.2
135.68887	4.0
137.05981	8.1
137.09608	7.4
137.13235	8.0
139.07579	6.6
139.11180	5.9
141.06973	6.3
142.07759	9.7
143.08592	24.1
144.09317	5.9
145.05055	4.2
145.10124	93.3
147.04419	6.5
147.08058	7.9
147.11694	40.3
149.09627	12.2
149.13274	25.9
151.07533	5.1
151.11215	6.2
153.09158	5.2
155.08548	8.3
156.09331	12.9
157.10136	46.8
158.10953	6.1
159.08061	4.9
159.11703	57.4
161.09624	20.5
161.13264	25.7
163.07597	5.2
163.11180	21.5
163.14857	13.4
165.09154	4.3
165.12773	4.3
167.08502	4.5
167.10695	4.1
168.03879	3.4
169.10135	8.7
170.10930	11.2
171.11690	31.0
172.12379	5.7
173.13243	50.9
175.11208	9.1
175.14845	24.9
177.05515	6.2
177.09137	3.7
177.12767	12.0
177.16402	7.1
179.10718	7.0
181.10158	7.7
181.12312	6.8
183.11699	24.8
184.12402	6.8
185.13258	40.1
187.11218	4.4
187.14824	71.8
189.09161	5.0
189.12766	6.4
189.16341	22.1
191.14333	17.4
197.13264	14.0
199.14816	51.2
201.12791	6.1
201.16379	47.9
203.14310	11.6
205.15865	22.5
207.13834	27.0
209.13416	3.9
209.15440	7.5
211.14841	8.0
213.16444	11.1
215.14441	8.3
215.17941	7.2
217.15881	12.2
219.13779	8.3
221.15324	9.0
223.14873	4.3
223.17015	3.6
225.16457	6.4
231.13690	5.4
231.17395	4.4
233.15363	9.1
233.19162	3.6
239.18031	6.0
241.19557	4.5
245.15314	7.5
247.16927	4.7
251.18034	4.9
253.19489	7.3
257.32593	3.8
273.18546	4.1
299.20059	4.3
305.24762	3.6
317.08685	7.0
319.69318	3.5
403.29980	16.2
421.30911	15.0
431.30347	7.9
439.32004	9.8
441.33899	4.0
449.30496	14.1
467.31909	16.8
485.19653	12.8
485.33072	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	485.3243
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
50.01319	0.5
50.04789	0.6
55.05511	1.1
61.43534	0.6
61.90505	0.5
67.05502	1.7
69.07067	1.0
71.56971	0.8
79.05486	0.9
81.07047	1.7
85.06523	0.5
91.05478	1.4
93.07047	1.7
95.08605	2.4
105.07049	2.5
107.08586	1.7
107.15833	0.5
109.10181	1.4
112.83735	0.6
117.07018	0.6
119.08601	3.0
121.10133	1.9
131.08614	1.2
133.10161	1.8
135.11694	0.9
143.08592	0.9
145.10100	1.3
147.11703	1.3
149.13219	0.5
154.46419	0.5
157.10085	0.6
159.11707	1.3
163.14844	0.7
169.10211	0.6
171.11682	0.8
173.13304	0.6
175.11197	0.5
175.14870	0.7
177.09084	0.6
185.13380	0.6
187.03693	1.9
187.14818	0.8
188.04453	10.2
189.05249	2.0
195.11829	0.6
199.14774	0.5
201.16512	0.6
239.18102	0.5
439.32123	1.0
449.30283	0.9
456.49509	0.6
467.31442	17.8
485.32416	100.0
486.32779	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	485.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
57.03440	0.3
57.07070	0.6
60.35158	0.2
65.03947	1.3
67.05510	0.7
69.07066	0.6
69.18105	0.2
69.34660	0.2
71.04993	0.3
78.04700	0.4
79.05480	1.3
81.03422	0.7
81.07062	1.0
83.04985	0.2
85.06578	0.5
91.05483	49.7
92.05791	0.3
93.07045	0.7
93.56126	0.2
95.04993	0.3
95.08624	0.7
97.02868	0.4
97.06517	0.3
98.21117	1.6
103.05487	0.8
104.06254	3.8
105.07035	10.6
107.08613	0.6
109.06532	0.3
109.10146	0.5
111.08106	0.7
117.07032	0.6
119.08575	0.5
121.10159	0.2
123.08076	0.6
125.09655	0.2
125.58777	0.2
127.07541	0.3
131.08578	0.8
133.10132	100.0
134.10468	1.3
143.08571	0.2
145.10149	0.5
145.98056	0.2
147.08066	2.8
147.09196	0.3
147.11679	0.4
149.09647	0.9
153.09157	0.4
159.11711	0.3
166.03900	0.2
171.10245	0.4
171.11703	0.2
178.15900	0.2
189.11238	0.3
313.27002	0.2
421.80914	0.2
467.31598	0.3
485.32175	0.7
514.72766	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	485.2534
Annotation	Withaphysalin N
Peak:m/z	Relative Intensity
50.45358	3.4
51.71961	3.3
53.03940	6.7
55.01879	5.2
55.05512	14.4
56.96578	4.4
57.03439	27.5
57.07072	7.6
65.03912	7.0
67.05501	46.1
69.07076	31.5
71.04975	3.6
71.57018	5.7
79.05490	58.0
81.07057	64.8
83.08613	12.5
91.05484	63.4
93.07053	58.0
95.04974	14.0
95.08602	39.0
97.06525	5.9
98.21164	3.8
101.07657	3.4
103.05489	5.6
105.07034	75.8
107.08601	65.0
109.06503	6.3
109.10175	27.3
111.00837	4.2
111.08088	7.4
115.05460	4.9
116.06206	4.4
117.07034	34.4
119.08595	52.4
121.06456	6.1
121.10159	36.1
121.21330	3.8
123.08059	9.9
123.11690	16.8
125.09639	42.4
127.03921	32.7
127.74815	3.6
128.06233	6.1
129.07025	15.8
131.08560	50.5
133.10114	40.2
135.08043	9.5
135.11702	24.2
137.05983	7.0
137.09598	11.6
139.03889	42.4
139.07603	3.7
139.11159	3.9
141.06970	5.2
142.07776	4.8
143.08604	24.9
145.10136	48.3
147.08020	5.4
147.11717	33.3
149.09610	13.8
149.13283	12.9
153.01843	100.0
153.05476	4.4
155.03432	6.8
155.07063	12.0
155.08572	9.3
156.09436	3.7
157.10165	19.9
159.11708	29.7
161.09630	10.0
161.13297	13.5
163.04065	3.6
163.11191	8.5
165.05531	5.6
167.07114	5.2
169.10280	6.9
171.11629	17.7
173.09619	18.3
173.13329	25.5
175.11183	15.5
175.14832	11.0
177.12769	8.6
179.10759	4.5
181.04958	21.4
183.06558	4.5
183.11714	13.5
185.13266	19.3
187.11243	6.4
187.14803	17.0
188.04498	5.6
189.05281	3.8
189.12839	4.7
189.16373	7.6
191.06905	7.3
191.14322	8.2
193.08586	7.9
197.13278	3.7
199.14844	7.2
201.12643	8.2
201.16470	6.1
203.14268	9.5
211.14848	17.2
213.16432	4.8
215.18001	5.1
219.13885	3.9
229.15887	26.5
241.19481	4.6
247.13316	4.0
247.17004	6.8
251.17940	5.9
257.15363	3.8
259.20602	7.2
269.19095	8.5
285.18414	7.3
313.21625	9.1
315.23260	5.6
341.21249	4.4
355.19089	5.4
359.22260	11.0
385.19162	3.9
385.23993	7.6
423.22006	37.9
439.32040	9.6
449.30411	4.9
467.31458	14.8
485.32532	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2019
Annotation	Globulusin A
Peak:m/z	Relative Intensity
51.02382	0.4
53.03941	1.0
55.01867	0.9
55.05516	2.1
57.03432	1.1
57.07076	2.2
59.05011	2.1
61.02894	0.5
65.46063	0.4
67.05507	2.1
69.03438	3.9
69.07080	2.5
69.81310	0.7
69.81702	1.5
71.04984	1.6
73.02914	1.2
79.01849	3.9
79.05486	1.3
81.03423	6.9
81.07070	3.0
83.04977	1.3
83.08604	1.4
85.02924	3.7
85.06542	1.3
91.05466	1.0
93.07047	2.8
95.02451	0.6
95.04971	2.2
95.08614	7.9
97.02898	5.5
97.06528	2.3
98.20911	0.8
98.21471	0.9
99.04446	1.4
99.08086	4.3
100.07594	0.6
100.11258	1.3
105.07018	1.8
107.01314	1.9
107.08593	4.4
109.02888	4.4
109.06522	2.9
109.10178	4.8
111.04434	0.9
111.08083	2.8
113.03485	1.6
113.09637	3.0
114.09184	4.5
114.51726	0.4
119.08572	2.4
121.06522	0.8
121.10139	0.9
123.04468	0.9
123.08065	1.1
125.02354	2.8
127.03915	5.8
127.11164	1.7
128.07127	0.7
129.06929	0.6
131.08522	0.9
133.10143	0.9
135.11713	4.6
137.09624	0.8
143.03407	5.7
145.04968	0.9
145.10124	1.1
147.08093	0.6
147.11674	0.9
151.03929	0.4
151.07559	0.5
153.01836	100.0
153.02847	4.3
153.12749	24.5
153.77890	0.5
154.13132	0.8
155.14326	0.8
159.11703	1.2
161.09631	0.6
161.13309	0.8
165.09109	0.6
171.02901	7.5
171.11664	0.6
171.13817	3.6
173.13277	0.8
177.12830	0.8
182.15421	0.6
187.14801	0.6
189.12796	1.0
195.13855	0.6
207.13828	2.8
210.14897	1.6
213.14951	0.5
229.11786	0.7
279.04959	0.5
279.16016	1.2
297.06067	7.3
305.13730	0.5
305.17365	0.5
315.07095	5.9
323.11270	0.6
337.21317	1.1
393.88870	0.4
467.32104	0.6
468.30832	0.7
485.03149	0.5
485.19516	0.9
485.33069	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	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05505	2.2
57.07088	0.7
57.77609	0.4
67.05514	2.7
69.03429	6.8
69.07055	1.2
69.53114	1.6
69.53524	1.0
71.04980	1.5
73.02905	0.9
73.06554	0.6
79.05503	5.5
81.03417	1.1
81.07053	7.0
83.04976	2.4
83.08631	0.5
85.02904	2.9
90.25225	0.4
91.05489	5.3
93.07053	4.7
93.93215	0.4
95.04959	1.0
95.08603	1.8
97.02878	2.5
98.20788	0.9
98.21439	0.8
99.04488	0.7
105.07030	6.5
107.04957	4.5
107.08599	19.0
108.80645	0.4
109.02885	0.9
109.06524	2.9
109.10160	4.8
113.03426	0.6
115.03921	0.7
115.05460	1.0
117.07036	1.0
118.07799	0.8
119.08585	3.4
121.06539	2.2
121.10140	10.3
122.07301	4.2
123.08075	1.2
124.40742	0.4
127.03915	1.3
131.08565	2.3
131.73755	0.5
133.10132	100.0
134.10474	1.4
135.08072	4.8
135.11693	1.3
137.09618	43.8
138.09969	0.6
143.08607	1.0
145.04973	0.7
145.10123	1.1
147.11681	2.1
149.09602	0.8
149.13257	8.5
153.01787	0.9
154.42670	0.4
158.10876	0.9
159.11731	0.5
163.11234	0.6
163.14854	1.7
165.09120	0.8
173.13268	6.4
180.88512	0.4
184.07323	0.5
187.11363	0.5
191.14308	52.5
192.14680	0.8
193.04965	0.5
211.10756	0.7
215.09122	0.7
215.14319	0.5
223.05942	0.4
223.13307	0.4
347.13120	0.5
467.91574	0.4
485.32318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52783	2.4
53.03935	4.0
55.05501	11.0
56.96560	5.1
57.03430	11.3
57.07080	2.8
67.05508	17.9
69.03430	3.0
69.07066	11.2
69.92251	13.4
73.78517	2.2
79.05495	24.9
80.37440	2.5
81.07059	20.7
83.08624	6.2
91.05483	28.7
93.07063	24.6
95.04992	5.9
95.08601	21.6
97.06569	3.2
97.10203	3.4
105.07030	30.3
107.04942	4.1
107.08587	22.5
109.06512	2.7
109.10166	11.5
116.91068	2.4
117.06991	15.2
119.08585	29.2
121.06505	3.5
121.10159	14.3
123.08075	7.4
123.11739	5.4
125.09626	18.1
127.03922	10.0
129.07051	7.6
131.08578	18.9
133.10150	16.5
135.08061	5.0
135.11717	10.5
137.05983	3.5
137.09613	8.8
139.03931	16.2
143.08577	8.6
145.06537	2.4
145.10095	23.3
147.08028	5.9
147.11710	10.4
149.09639	9.1
149.13290	7.5
153.01842	39.5
155.07050	4.0
155.08543	4.6
157.10170	7.6
159.10620	2.7
159.11664	13.8
161.09627	6.5
161.13295	5.8
163.11281	3.3
163.14812	4.8
169.10136	7.4
171.11697	5.0
173.09662	7.0
173.13263	7.4
175.11176	4.0
175.14906	4.7
181.04991	8.7
183.11725	6.1
185.13303	10.4
187.14868	7.0
188.04488	9.0
189.12695	3.6
190.94769	2.7
197.13306	3.2
199.14917	2.9
201.12804	4.8
203.14345	6.6
211.14867	5.2
213.12865	3.6
217.19405	3.0
229.15900	8.0
239.14531	2.3
239.17853	2.8
251.17924	3.1
259.20560	4.1
285.18320	3.6
295.20532	3.9
313.21591	5.0
341.21176	3.7
355.19128	3.3
359.22168	4.7
423.22076	17.7
439.32135	7.6
464.24619	4.5
467.31299	13.2
485.32437	100.0
514.74615	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	483.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88487	0.5
53.38404	0.5
55.47128	0.5
57.07085	1.0
63.71146	0.6
67.05486	1.0
68.72965	0.7
70.74528	0.5
71.08627	0.8
71.56977	0.7
74.09715	1.0
77.86098	0.5
81.07063	1.5
89.06030	6.0
90.06378	1.1
95.08624	1.4
103.36879	0.4
105.07045	0.6
107.08557	0.8
109.10167	0.6
119.08603	0.9
133.08592	3.4
133.10127	0.6
134.08963	1.1
144.77745	0.5
177.11290	1.0
178.11667	0.5
187.03679	3.4
188.04457	10.2
189.05263	2.2
200.82469	0.6
283.17545	2.1
284.17902	2.0
366.09659	0.5
483.30835	100.0
484.31158	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	485.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.4
63.99052	3.4
69.03423	9.5
81.03407	5.2
85.02917	17.6
91.05442	3.6
97.02905	9.3
98.21441	3.8
98.97595	15.9
99.03204	3.8
101.00889	9.3
103.00626	6.5
103.74514	3.6
105.52188	3.5
109.02900	3.8
110.97546	4.5
113.00906	3.3
116.98613	6.3
118.20403	3.5
119.01917	23.3
121.01687	10.4
127.03916	6.0
128.98586	4.9
131.01906	9.6
133.01649	9.9
133.03500	7.6
137.30562	3.0
143.00188	8.0
143.01920	12.5
145.01663	12.5
145.03519	6.0
145.05020	4.3
147.03174	6.6
153.01840	26.2
155.01909	12.4
157.01682	11.0
157.03476	10.4
158.99663	6.4
159.03166	4.0
161.01277	9.3
161.02951	17.0
161.06017	5.2
163.02716	11.6
167.02055	3.3
170.99609	4.8
171.05032	8.5
173.01627	4.7
173.02945	19.1
174.03073	4.5
175.02762	14.9
175.04756	3.8
177.00655	5.5
177.05449	6.2
179.02133	4.9
181.01677	3.8
185.01350	4.7
185.02971	15.1
185.06606	4.7
187.02609	16.9
189.06058	4.4
197.02979	4.8
199.02667	9.5
201.00731	7.2
201.02470	7.9
202.02539	4.4
203.02206	21.5
203.03981	7.4
203.05765	5.5
205.03694	7.9
211.00914	5.6
217.03746	4.8
219.01674	6.4
219.03516	9.5
221.03242	40.7
223.04739	5.9
226.98665	4.0
229.03899	4.3
233.03384	7.8
235.01007	3.7
237.02818	11.3
239.02025	3.6
244.99667	4.3
245.05077	35.2
246.05287	10.7
247.04889	56.2
253.01845	5.9
259.02313	4.8
261.02753	7.4
263.04279	6.7
265.06027	9.2
277.03409	9.7
277.06143	7.0
303.01279	17.5
304.01810	5.3
305.05515	15.9
307.07132	5.1
321.05038	6.6
323.06491	23.2
337.09036	6.3
351.11401	19.7
365.09158	10.5
367.09180	5.6
445.06662	3.5
485.06564	100.0
485.12531	23.0
485.24896	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	485.1291
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
53.03941	1.5
55.60580	0.6
57.03421	0.7
60.40818	0.6
69.03438	3.0
71.04945	0.8
71.56667	0.8
73.36072	0.6
79.01456	0.6
79.01852	4.1
79.05503	0.6
81.03418	8.4
81.07111	0.9
85.02913	3.7
91.05476	0.7
93.07111	0.6
95.08640	0.6
97.02890	6.7
99.04440	1.4
103.03963	1.2
107.01311	2.0
107.87740	0.6
109.02888	6.1
111.04433	1.4
121.10069	0.7
125.02384	4.6
125.05976	0.7
127.03931	8.4
137.05942	0.8
139.03905	2.4
143.03391	5.3
145.04895	1.0
147.04434	1.0
151.03934	0.6
153.01836	100.0
153.02791	3.9
154.02211	0.8
155.03407	0.9
170.05740	2.7
171.02914	12.0
171.06310	2.7
213.07501	0.7
239.29688	0.5
255.05017	1.4
261.07599	2.7
297.06091	9.8
315.07068	4.0
317.99832	0.7
486.53638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40262	2.4
55.05511	26.8
57.03426	7.3
57.07072	11.6
67.05495	10.1
69.07072	35.5
69.72548	16.6
71.08628	6.9
74.44205	2.7
79.05493	3.8
81.07066	19.0
83.08624	19.7
91.05441	5.8
93.07037	17.3
95.08594	18.3
97.10160	15.3
97.51926	2.6
98.20790	4.9
98.21446	5.9
98.98460	11.2
105.07034	9.9
107.08588	9.3
109.10146	8.4
111.11717	5.4
119.08585	14.2
121.10161	14.1
122.98203	2.7
131.08554	5.9
131.48930	2.7
133.10077	10.5
135.11665	7.4
145.10120	8.2
147.11668	8.7
149.13234	3.5
155.00995	6.8
159.11670	7.4
161.13245	7.1
163.14803	4.3
165.09151	3.3
173.13248	5.9
175.14807	6.2
177.16422	3.7
183.59143	2.7
187.14722	14.7
189.16400	10.3
203.17929	7.8
290.46823	3.0
311.25836	100.0
377.04120	3.1
405.32205	3.9
423.32718	3.4
465.29840	3.2
483.30869	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	483.3081
Annotation	Hemsleyatine
Peak:m/z	Relative Intensity
55.05519	0.3
69.40298	2.2
80.49609	0.3
81.07104	0.3
89.06018	0.9
91.09752	0.3
107.08561	0.3
109.10191	0.4
133.08606	0.4
140.48456	0.3
160.04990	0.6
187.03661	3.2
188.04459	10.5
189.05228	2.1
219.07109	0.3
283.17636	0.4
317.24551	0.4
352.56024	0.4
483.30823	100.0
484.31039	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.4
58.47791	0.5
70.72729	1.2
70.73066	0.5
74.09707	0.6
96.22630	0.5
98.97573	6.1
116.98628	5.6
132.96619	0.7
134.99684	2.7
139.84691	0.5
148.59799	0.5
156.96643	0.8
174.97675	4.7
190.95667	1.1
192.98753	5.6
208.96710	0.7
214.95575	3.6
216.98705	3.8
232.96715	16.5
233.33316	0.5
233.96844	0.7
234.99829	5.5
238.95686	1.7
250.97771	13.4
251.97887	0.7
256.94006	1.2
256.96710	22.7
257.96848	1.1
258.99936	6.3
259.99841	0.8
260.99725	1.5
262.03082	0.6
262.99530	0.6
264.99182	0.6
273.98953	0.6
274.97754	62.1
275.97916	2.9
276.98227	0.8
277.00940	7.2
278.01230	1.1
279.00900	0.7
280.96533	2.8
283.00021	7.3
284.00085	1.3
284.99942	1.3
288.99298	0.9
289.96323	0.7
292.76331	0.6
292.98788	13.9
297.99283	1.1
298.97745	61.2
299.97906	2.7
300.97952	1.1
301.01059	9.2
302.01215	1.2
303.00949	2.2
305.00531	0.7
307.97290	0.7
314.96033	0.6
315.02548	0.6
316.98816	100.0
317.98990	4.6
331.00525	0.9
332.96918	0.7
334.99966	4.1
338.95676	1.0
340.00430	2.8
340.98990	1.7
356.96872	1.1
358.99908	6.5
360.24829	0.5
374.97870	3.3
380.96738	1.0
398.98016	2.9
401.01013	1.2
416.99060	9.6
417.99091	1.3
422.97760	5.9
440.98941	64.7
441.99063	4.3
443.02100	1.9
445.01926	0.8
447.01636	0.6
458.99960	74.7
460.00174	6.2
473.01587	2.4
477.01007	1.1
482.01599	5.4
483.00793	3.6
500.97665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51730	1.2
56.96587	1.2
61.02904	1.3
69.03426	1.9
69.97440	5.1
75.38350	1.0
81.03404	2.3
82.99863	2.5
83.04993	2.5
85.02924	2.8
97.02912	3.1
98.21043	2.3
98.97593	3.2
101.00875	14.5
109.02902	1.8
113.00851	2.7
115.02463	2.1
116.98627	2.5
119.01929	31.1
124.07575	1.4
127.02448	3.4
127.03906	2.6
129.04021	1.1
131.01909	14.2
133.03476	3.2
137.02972	3.4
139.02377	1.6
143.01904	25.1
145.03497	14.4
145.04668	1.8
147.01410	2.0
147.05040	2.2
149.02956	2.8
153.01855	4.8
155.01909	23.7
157.01591	1.1
157.03497	11.2
161.02974	26.8
163.04602	2.0
167.01895	8.7
169.03470	5.0
171.05066	4.3
173.02974	41.6
173.06592	1.9
174.03113	1.3
175.04492	2.1
177.02484	3.8
177.05852	1.2
179.01909	4.2
181.03476	1.4
183.01395	2.1
183.05086	5.4
185.02971	47.5
186.03136	1.3
187.04529	5.2
189.06094	2.5
193.80527	1.2
195.03615	1.2
197.02988	15.7
199.04601	2.5
200.98511	2.5
201.02463	48.6
201.06091	21.9
203.04031	12.7
204.68343	1.1
205.00211	1.2
208.04561	1.3
209.03006	3.7
211.04597	1.7
213.02434	11.0
215.04012	12.1
216.40242	1.3
217.05592	1.3
219.03522	85.7
219.07152	4.4
220.03624	2.7
221.05142	7.7
225.02478	1.3
227.04071	11.5
229.05580	1.4
231.03502	10.9
231.07048	2.4
233.05081	1.7
237.02591	4.2
237.04706	2.1
239.04027	1.8
239.06166	2.5
242.05086	2.4
243.03505	2.6
243.07150	4.8
245.05092	100.0
246.05243	3.5
249.04547	7.5
255.03587	5.2
257.05130	6.3
259.02441	5.5
261.04590	13.6
261.07990	1.7
263.06177	12.7
273.04626	1.4
275.06174	17.7
277.03409	14.9
279.05646	5.1
285.04581	2.5
291.06119	1.4
291.09171	6.4
293.07129	3.6
303.01526	4.5
303.05618	25.3
303.09195	3.7
305.07205	9.8
305.23273	1.4
309.04541	1.1
317.07233	1.7
321.06735	35.7
321.10245	4.1
323.06525	1.2
323.10040	2.2
335.08270	4.2
363.11731	2.1
365.09244	9.3
383.09900	1.8
465.10870	2.3
470.32574	1.4
483.11887	24.8
483.18323	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	8.2
55.05492	3.8
57.03437	14.3
57.07074	4.2
61.02916	7.8
67.05506	2.3
69.03432	28.0
69.07069	15.0
71.01353	4.5
71.05004	14.8
71.31057	2.5
73.02922	37.8
79.05489	4.9
81.03420	3.6
81.07058	16.2
82.10830	2.2
85.02911	72.1
91.03978	2.5
91.05493	5.3
93.07043	18.5
95.04980	2.4
95.08614	6.6
97.02897	40.9
98.21399	2.4
99.04461	4.2
104.71505	2.1
105.07047	5.7
107.08588	17.2
109.02892	5.5
109.06541	4.2
109.10181	5.9
111.08114	2.8
115.03943	18.2
119.08625	10.9
122.16978	2.4
125.13265	2.6
127.03926	21.3
133.04979	24.6
135.11700	33.3
145.04956	24.6
153.12758	100.0
163.06065	15.2
165.12758	7.9
173.09615	4.6
175.07521	2.7
177.12831	3.3
189.12770	3.3
195.13821	3.2
195.63147	2.6
219.31676	2.1
223.05974	4.5
241.07098	6.5
259.08212	8.6
261.14935	3.7
267.15887	5.0
285.17001	5.5
295.10284	8.3
297.16904	6.5
315.18036	23.4
318.70279	2.3
333.19067	6.5
350.78033	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	482.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.0
55.05520	1.4
56.05012	1.2
56.96566	3.6
57.03434	4.6
59.98817	1.0
60.04516	1.0
60.05663	1.0
61.02931	1.3
61.42397	1.2
62.22358	1.0
64.50314	0.9
68.05024	1.8
69.03438	10.0
70.06561	0.9
70.08159	4.4
71.01362	2.7
71.05005	1.5
72.04524	1.4
73.02909	3.4
74.06132	1.1
75.58867	0.9
79.01849	1.3
80.05012	2.7
81.03420	4.9
82.06576	2.0
83.04958	1.2
84.04521	1.6
85.02914	15.7
86.06046	1.3
87.04462	2.3
94.06580	1.2
94.87050	1.0
95.37798	0.9
97.02899	11.1
97.69937	1.0
98.06051	1.1
98.21090	3.0
98.97598	2.6
99.04463	6.1
102.05536	2.2
103.03959	4.3
106.06551	2.1
109.02882	3.2
110.06055	2.5
115.03947	15.2
116.98650	1.7
119.01901	2.8
121.01652	1.4
122.06001	1.8
124.07593	1.7
127.03936	12.3
128.07089	11.9
130.22154	1.0
131.01903	1.5
132.06584	6.3
133.06525	1.1
134.05998	1.4
134.99649	1.6
139.03899	2.3
140.07069	1.8
143.01901	1.7
145.03487	1.3
145.05023	1.9
152.07053	3.0
153.01840	8.0
154.02144	1.3
155.01913	1.8
160.09685	2.2
161.03023	3.0
170.08185	4.9
172.09695	1.1
175.06055	2.5
177.00696	1.3
185.02994	1.2
188.09200	9.0
197.03024	1.2
201.02470	1.9
201.06082	1.1
203.03746	1.2
206.10258	59.9
215.03882	1.2
219.01698	1.5
219.03551	2.5
221.05164	1.2
231.03004	5.0
237.02827	2.7
245.05089	3.8
247.02840	1.1
248.95775	1.2
259.02365	8.2
262.05939	1.1
276.05081	2.5
277.03482	19.6
277.06339	1.4
302.00647	1.8
303.01382	9.2
304.01712	1.3
311.15106	1.1
322.10770	1.3
336.06232	1.1
337.09720	1.4
338.14401	1.2
407.04413	1.1
420.18729	1.8
464.17905	1.3
482.18744	100.0
483.18997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01884	13.5
57.07069	6.1
60.45383	1.6
65.03951	1.6
67.05508	5.8
69.03437	11.9
69.07058	10.8
69.17982	1.4
69.25591	1.7
69.69973	9.1
70.02952	7.9
70.06572	1.9
71.04985	2.4
72.04517	25.6
73.02911	11.2
81.03424	20.4
81.07054	1.8
83.04975	6.5
85.02912	10.7
85.06551	9.0
86.04792	1.6
86.09709	7.1
86.48406	1.5
87.08103	3.8
90.05032	3.0
90.05557	35.9
95.04963	6.9
96.08134	1.9
97.02896	11.8
98.02419	18.4
98.21067	5.7
99.04448	4.6
100.03985	6.4
103.07578	3.4
105.21876	1.4
109.02886	30.2
111.04422	2.2
112.07610	2.5
113.05969	8.5
116.03460	24.6
118.05050	1.5
119.04928	1.5
119.51602	1.7
121.18983	1.7
124.07602	27.0
127.03922	19.2
131.06982	2.2
132.06560	10.5
137.02362	2.8
137.06001	2.2
138.05522	2.9
139.03790	1.6
140.07184	1.6
142.08621	18.0
144.20688	1.7
145.04942	6.4
147.04428	2.7
153.01860	3.7
160.09689	5.0
166.08684	7.0
169.01305	2.6
172.09718	4.6
174.11229	4.9
184.09697	43.8
187.06075	1.8
198.07649	4.5
199.06085	5.5
202.10754	100.0
203.11418	2.7
208.31602	1.5
211.09697	8.5
212.09303	1.8
216.08730	3.6
217.07088	3.4
220.11838	22.5
226.10732	1.9
230.10179	14.0
234.09692	9.6
240.89925	1.7
244.11885	3.1
262.12814	21.2
299.11185	2.2
303.01212	2.1
310.12820	9.3
317.12332	1.7
319.04483	17.5
320.04837	38.3
320.12820	1.7
328.13919	58.6
346.15002	13.4
364.16028	24.6
464.21057	2.5
482.10193	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	482.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
53.10664	3.4
55.01862	7.0
57.03432	8.3
61.02916	11.8
65.03928	4.9
69.03412	14.8
69.45664	3.8
70.06573	3.3
71.56447	4.1
71.56815	4.4
79.05470	10.2
79.05945	3.3
81.03396	9.3
81.07073	7.0
85.02895	20.0
87.04452	5.2
91.05482	34.3
93.07031	14.0
93.82837	4.6
95.02463	6.1
95.04936	5.7
95.08618	5.3
96.08140	3.8
97.02879	17.5
103.05482	20.3
105.07026	12.5
107.04967	35.2
107.08603	7.3
109.02860	12.3
109.10123	4.8
111.00797	4.8
113.03493	33.3
115.05440	9.7
117.07019	3.7
119.04932	22.7
121.06469	11.7
122.06054	5.8
123.04379	5.2
123.11708	5.0
124.07502	5.1
126.09177	7.9
127.03904	11.9
129.06969	8.0
131.04922	13.9
133.04973	5.0
133.06494	4.9
135.08054	11.9
135.11659	9.2
137.05980	100.0
139.68582	3.9
146.05948	4.3
147.04387	24.8
149.05972	4.9
151.06593	4.1
151.07567	46.4
152.07045	16.8
153.01872	25.6
157.06450	4.5
161.05977	82.2
161.09593	16.1
162.06737	8.1
163.07549	60.2
165.01768	5.1
165.09135	3.6
166.04990	26.1
167.05290	15.3
168.06618	4.9
171.13776	12.6
175.07489	9.1
177.03758	4.7
179.07057	7.0
181.08592	14.4
182.04451	4.9
189.09106	57.6
193.03178	15.2
195.08141	5.5
207.10188	78.3
219.10146	6.8
220.11839	6.3
221.06041	4.1
223.07610	4.6
227.10670	11.9
239.06657	8.5
241.09294	4.0
253.08640	5.7
255.10355	5.9
260.07538	3.7
271.10703	5.1
272.10986	10.6
283.10742	10.5
284.11053	34.5
287.12784	34.0
299.12793	7.4
301.11874	8.1
302.12067	17.8
311.12677	15.4
313.14499	25.5
319.04523	28.6
319.12839	36.4
320.04868	75.5
320.13187	93.1
331.15295	31.7
343.15298	7.8
482.18835	7.8
507.32819	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	481.2798
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
50.65152	2.1
53.03950	11.8
55.01874	23.9
55.05512	35.9
57.03439	16.8
57.07067	10.9
58.99453	2.3
65.03967	4.5
67.00208	2.3
67.05508	100.0
68.05832	3.3
68.16945	2.4
68.85876	2.3
69.03425	9.6
69.07079	26.5
71.01340	7.1
71.04985	9.5
71.57166	3.1
72.96959	2.6
73.02914	3.3
79.05052	5.2
79.05494	70.1
80.05838	2.9
81.03419	20.8
81.07059	77.4
82.04198	6.0
82.07385	6.9
83.01342	2.7
83.04987	29.9
83.08627	13.4
85.02896	5.6
85.06535	9.7
91.05489	53.9
92.05809	3.8
93.07044	84.1
94.07390	3.4
95.04972	28.0
95.08606	28.9
96.08939	3.1
97.02877	4.7
97.06536	20.1
97.10181	18.5
98.07311	7.2
99.04463	3.3
99.08092	4.6
105.07025	25.4
105.21925	2.5
107.04967	10.6
107.08589	50.9
107.09290	3.6
109.06532	11.6
109.10143	22.4
111.04414	6.7
111.08068	10.9
112.40311	2.4
115.05493	2.7
117.07066	12.7
119.08598	20.0
121.06514	7.0
121.10131	15.7
123.08073	8.7
123.11736	5.9
125.05959	2.5
125.09632	10.5
126.94851	2.8
127.11256	3.9
129.07018	4.7
131.08542	15.0
133.10123	17.7
134.10959	4.5
135.08075	6.9
135.11700	57.1
137.05977	6.9
137.09616	6.6
139.11183	2.6
143.08542	3.6
145.06453	2.7
145.10123	16.1
147.08076	4.1
147.11708	8.5
149.09596	5.4
149.13266	6.3
151.07513	4.3
151.11191	5.7
153.09102	3.8
153.12772	4.1
155.07191	2.5
157.10136	7.1
158.05759	5.6
159.11755	5.5
161.13260	3.1
163.11197	13.6
167.07045	9.9
171.06551	11.1
171.11743	4.7
173.18158	2.4
175.11253	4.7
176.70564	2.9
177.12897	3.0
181.12247	11.2
189.12929	2.3
191.10666	5.7
193.12251	7.3
199.13290	5.1
209.11711	5.7
211.13303	5.9
211.22241	2.5
212.13638	3.4
213.14198	2.4
220.79578	2.6
225.11159	2.7
227.12839	7.9
255.15901	12.2
269.17639	3.6
283.15366	3.9
309.16907	7.2
319.04517	5.4
322.24033	2.5
337.19867	3.1
409.25922	8.5
463.26959	5.9
463.33313	5.5
464.27628	7.7
481.27914	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	481.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44062	1.5
53.03932	4.8
55.01880	8.9
55.05512	21.8
57.03437	13.4
57.07057	3.0
58.17208	1.5
59.04989	2.5
59.33280	1.5
65.03922	5.2
67.05505	77.9
67.05868	4.1
68.05823	2.5
69.03407	7.7
69.07067	22.2
69.20170	1.6
71.04996	13.7
71.57512	1.7
79.05491	39.7
80.37712	1.6
81.03418	53.8
81.07058	80.4
82.07388	2.5
83.04987	21.1
83.08614	20.6
85.02902	28.1
85.06548	9.1
86.48582	1.7
91.05479	70.1
93.07045	37.6
93.40006	1.6
95.04966	31.0
95.08601	21.8
97.02859	2.6
97.06505	7.1
97.10152	4.2
99.04433	4.5
99.08044	3.1
105.07036	63.8
107.04929	6.3
107.08595	53.1
109.06544	12.0
109.10157	81.5
111.04432	2.5
111.08070	10.8
113.06017	8.2
117.06980	5.9
119.08588	18.6
121.06490	3.6
121.10133	14.5
123.08029	5.5
123.11707	11.0
125.05973	3.4
125.09600	3.8
127.07526	5.5
128.40089	1.8
129.06979	7.8
131.08565	14.8
133.06490	4.1
133.10133	100.0
135.08028	2.9
135.11668	4.8
137.05911	4.8
137.09625	3.4
142.07762	4.2
145.10103	2.8
147.08012	3.5
147.11708	14.1
149.09598	6.2
151.07494	3.8
151.11189	49.4
157.10147	9.6
159.11700	2.5
163.11104	3.2
165.12689	4.1
167.06987	7.8
168.07353	1.8
169.12190	14.8
175.11160	10.7
179.10638	4.0
189.12794	1.9
191.10658	2.2
193.12244	45.7
197.80865	1.7
211.11293	3.7
211.13292	60.9
215.12712	5.2
216.29057	1.6
229.14429	2.2
253.14345	72.6
267.15927	3.7
271.15549	3.9
271.87216	1.7
285.16922	2.5
328.24615	1.7
356.18381	2.0
463.13614	1.8
463.26956	7.4
463.33398	2.1
481.27884	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06356	0.2
53.03943	0.7
55.01874	0.3
57.03441	0.6
61.02926	5.5
65.03957	0.4
66.04696	0.3
67.05496	0.6
68.01389	0.5
68.99786	1.5
69.03425	1.7
69.56709	1.0
69.57117	0.4
71.04982	0.4
73.02918	1.6
74.46745	0.2
79.05492	0.7
81.03419	2.1
85.02904	6.0
91.03948	3.0
91.05473	0.7
94.04176	1.0
95.02449	10.9
95.04981	0.4
95.08636	0.5
97.02889	10.0
98.20731	0.3
98.21306	0.7
99.04461	0.9
101.00626	0.2
105.07066	0.6
107.04963	0.4
107.08580	0.4
109.02882	2.6
109.03590	0.4
109.06499	0.4
111.00808	2.6
111.04442	0.6
113.03487	51.4
114.03809	0.3
115.03974	0.3
119.08561	0.6
121.02874	0.5
121.06512	0.7
122.03654	2.2
123.04456	0.3
123.08066	0.7
125.02321	0.4
127.03925	3.9
133.02870	0.3
135.04420	0.3
135.05530	0.2
137.02364	2.5
137.05975	25.0
138.06383	0.2
139.03908	0.5
145.04977	0.7
147.04401	0.6
147.11688	0.4
149.05960	0.4
149.09624	0.8
149.97475	0.2
151.04063	0.2
151.07558	0.4
153.01826	12.2
154.02203	0.2
155.04555	0.7
156.09267	0.2
161.05969	1.0
161.09669	0.3
161.13266	0.3
163.07602	0.3
165.01833	3.4
165.06955	0.5
166.02603	0.5
166.07841	0.3
167.03366	0.3
167.07025	1.1
169.01306	0.6
171.04408	0.4
174.10431	0.6
177.05595	0.3
179.03371	1.5
181.06461	0.3
183.02885	1.0
183.08138	0.3
189.05431	0.9
189.12721	1.5
194.07310	1.1
195.02878	0.8
195.08069	0.3
199.03871	0.5
203.03419	0.8
207.02853	0.5
207.13803	1.0
209.09633	0.2
211.07550	0.5
217.04962	3.6
219.02870	0.2
221.05949	1.6
222.06798	0.9
225.09119	0.5
227.03456	0.6
229.05061	0.4
231.02815	0.3
233.30754	0.2
235.07825	0.3
237.05589	0.2
237.09181	0.7
238.06361	0.3
239.06622	20.7
244.03629	0.3
245.04434	4.8
253.08824	0.4
255.02928	0.8
257.07684	2.2
263.05579	0.7
265.08655	2.7
267.10229	0.6
269.08209	0.2
271.09741	0.3
272.03238	0.3
273.03937	4.9
275.08771	0.5
282.08621	0.3
285.11276	2.0
287.13885	1.2
290.04202	1.4
291.04919	0.3
297.11200	3.3
301.03412	1.2
301.11484	0.4
309.11151	0.7
315.12283	3.0
319.04474	100.0
319.16339	2.3
320.04776	2.9
327.12570	0.3
328.17981	0.3
349.05536	0.7
463.21005	0.4
481.09601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
60.03181	0.6
67.05493	0.8
69.03415	1.7
70.06576	0.9
70.11444	1.9
79.05486	1.5
81.03401	2.0
81.07059	0.8
85.02902	1.9
91.05466	2.8
93.07057	1.1
94.04207	3.7
95.02451	2.6
95.04971	1.0
97.02879	3.2
98.21027	2.0
103.05471	1.3
105.07039	2.1
107.04960	1.9
107.08598	1.1
109.02880	1.3
109.06512	0.7
113.03495	17.1
119.04958	1.3
119.08597	0.6
121.06481	1.1
121.10162	1.0
122.03648	10.1
123.04447	1.3
127.03938	1.6
131.04910	0.8
131.08458	0.7
135.04416	1.2
137.05983	100.0
138.06390	1.3
147.04413	1.4
149.05997	1.1
151.03917	1.2
151.07533	1.4
153.01837	4.3
153.07085	0.8
161.05969	3.8
163.07513	1.1
165.06944	3.7
166.07802	1.5
167.03479	0.8
167.07047	3.5
167.08282	0.7
175.07585	1.4
177.07013	0.9
179.07072	1.2
179.08542	0.7
181.06433	1.4
183.08098	1.3
191.06979	0.9
193.06543	1.9
194.07286	4.2
197.06038	1.0
199.07565	0.6
205.06496	2.3
207.07791	0.7
208.06050	0.7
210.06732	1.2
211.07555	2.4
220.11914	1.1
221.06026	3.8
222.06693	3.4
224.08374	1.2
225.09145	2.0
227.07004	0.9
233.05865	0.9
234.06927	0.9
235.07481	0.7
237.05586	0.9
237.09117	3.4
239.06673	8.5
250.06259	0.8
251.07104	0.8
253.08604	1.8
254.09566	1.1
265.08627	10.6
267.10233	2.1
269.07950	1.0
270.08829	0.8
271.09695	2.2
273.04056	1.1
277.08530	1.3
282.08762	1.4
283.09891	0.9
285.11185	8.5
287.13965	2.4
297.11261	13.7
309.11264	2.1
315.12247	13.1
319.04514	13.8
319.12338	1.0
319.16547	4.1
433.16525	0.9
463.17007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03434	0.6
61.02931	3.0
66.04731	0.9
68.99787	0.8
69.03428	2.1
69.56349	3.6
73.02924	1.1
79.05491	1.8
81.03403	1.4
85.02924	4.0
90.05551	1.6
91.03956	2.1
91.05492	1.7
94.04198	4.3
95.02469	4.8
95.05000	0.8
97.02908	4.6
98.20715	0.7
98.21300	1.5
99.04453	0.7
107.04945	0.9
107.12990	0.5
109.02902	1.6
111.00823	1.6
113.03501	16.4
119.04945	1.2
122.03662	10.1
127.03893	2.2
135.04413	0.9
135.08134	0.5
135.61092	0.5
137.02367	1.6
137.05989	100.0
145.04948	0.7
146.03635	0.7
147.04416	1.9
149.06021	1.3
151.07556	1.4
152.17392	0.7
153.01836	9.8
161.05988	4.2
163.07574	1.7
165.01851	2.3
165.06970	2.6
166.07768	0.7
167.03482	0.7
167.07072	2.3
168.05611	0.7
174.56233	0.5
175.07510	0.6
177.05524	0.6
179.03436	1.5
179.08487	0.8
182.07323	0.7
183.08153	0.9
189.05446	0.8
189.12923	0.6
193.06458	1.6
194.07304	4.8
195.08148	0.7
205.06508	1.9
206.07205	0.8
209.05986	0.8
209.09616	0.9
210.06749	1.0
211.07573	1.3
217.04913	3.2
220.11847	2.3
221.05934	2.5
222.06712	3.1
224.08446	0.6
225.09122	2.5
226.09700	0.6
233.06070	0.8
237.09077	3.2
239.06677	7.7
245.04456	2.7
245.59956	0.6
250.06374	0.7
251.07159	0.7
253.08667	2.1
254.09317	0.8
257.07764	1.1
263.05334	0.7
265.08643	10.9
267.10037	1.2
271.09650	2.1
273.03915	3.6
282.08829	1.0
283.09769	1.2
285.11255	7.6
290.04211	1.3
297.11258	12.4
301.03384	0.8
309.11227	2.2
315.12332	12.1
319.04514	65.9
320.04877	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	481.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03933	0.5
53.26951	0.3
55.05505	0.5
65.03947	0.3
66.04721	0.4
67.05489	0.4
69.03419	0.7
69.07048	0.7
71.01299	0.3
71.57351	0.4
73.02914	0.7
79.05489	1.3
81.03417	0.6
81.07054	1.4
85.02920	0.8
87.04436	0.3
91.05483	2.2
93.07030	1.2
94.04190	4.4
95.04974	0.7
95.08617	0.5
97.02927	0.3
98.21214	0.3
99.04489	0.4
100.07624	0.6
103.05508	0.5
105.03414	0.3
105.07066	0.8
107.04956	0.8
107.08607	0.5
109.02894	0.4
109.06528	0.8
109.10130	0.4
113.03410	0.4
115.05474	0.5
116.14962	0.3
117.07020	0.3
119.04918	0.8
119.08602	0.5
121.06483	0.7
121.10126	0.7
122.03646	8.2
123.04471	0.4
125.06030	0.4
127.03922	0.6
129.06990	0.3
131.04909	0.8
133.10181	0.4
135.04410	0.5
135.07999	0.4
137.05981	100.0
138.06288	1.0
146.03658	0.7
147.04427	1.1
149.06000	0.9
151.03926	1.2
151.07538	1.4
153.01831	1.2
153.06911	0.4
153.12741	1.4
161.05965	2.9
163.03957	0.3
165.06970	1.8
166.07880	0.6
167.07051	1.5
167.08441	0.6
177.05501	0.4
177.07008	0.7
178.07809	0.6
179.07053	0.7
179.08585	1.0
181.06456	0.9
182.07310	0.7
183.08191	0.4
189.07040	0.4
193.06480	1.3
194.07283	3.2
195.08116	0.7
196.05045	0.3
197.09596	0.4
199.07674	0.5
203.65416	0.3
205.06541	0.9
206.07378	0.3
207.08089	0.6
209.05988	0.6
209.09642	0.5
210.06830	1.0
211.07617	1.0
217.06474	0.3
221.05948	2.2
222.06764	2.4
223.07559	0.5
224.08308	1.0
225.09140	1.3
227.06989	0.7
233.05974	0.6
234.06822	1.1
235.07552	0.7
237.09084	2.8
239.07043	0.7
239.10774	0.3
241.08655	0.6
249.09099	1.0
250.06319	0.7
251.07097	0.5
252.07924	0.4
253.08623	1.3
254.09422	0.4
259.09625	0.8
265.08624	6.6
267.10120	1.5
271.09766	0.6
277.08536	1.6
282.08905	0.7
283.09647	0.9
283.18781	0.4
284.10556	0.3
285.11227	8.8
295.09787	0.5
297.11252	9.4
309.11234	1.4
315.12250	0.6
319.04471	2.3
321.11337	0.5
327.12332	0.7
361.14212	0.7
389.13687	0.3
401.13922	1.5
413.13681	0.3
421.16422	3.3
428.46570	0.4
433.16510	2.1
445.16071	0.4
461.25793	0.4
481.18329	0.9
500.56927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03938	0.7
59.19995	0.4
60.07195	0.4
61.02938	0.4
65.03930	0.5
66.04727	0.6
67.05503	0.7
69.03421	1.1
71.57711	0.5
73.92241	0.3
77.03870	0.4
79.01850	0.4
79.05483	1.7
81.03416	1.2
81.07049	1.2
83.04997	0.5
85.02895	1.1
91.05505	1.9
93.07031	0.7
94.04194	3.9
95.04971	0.8
95.08640	0.4
97.02899	0.6
98.21342	0.3
103.05476	0.6
105.07012	0.9
107.04989	0.9
107.08609	0.6
109.02879	0.6
109.06507	1.0
109.10142	0.5
115.05440	0.4
117.03459	0.4
117.06933	0.5
119.04967	0.6
119.08601	0.5
121.06545	0.6
121.10137	1.0
122.03658	8.1
123.04421	1.0
123.11712	0.4
125.02397	0.4
127.03970	0.8
131.04944	1.1
133.06506	0.5
133.10141	0.6
137.05983	100.0
138.06314	0.7
145.06538	0.4
146.03619	0.6
147.04414	1.2
148.02158	2.5
149.02501	1.4
149.06017	0.6
149.09637	0.6
151.03955	1.0
151.07524	0.8
153.00696	0.7
153.01845	7.6
153.02997	0.8
154.02187	2.2
161.06032	2.8
163.03897	0.4
163.07390	0.5
165.05641	0.7
165.06912	2.0
166.03236	3.3
166.07765	0.6
167.03484	3.4
167.07080	3.3
167.08502	0.7
177.05499	0.8
177.07010	0.5
178.07831	0.7
179.08484	0.9
181.06540	0.5
182.07225	0.5
189.07111	0.6
191.07031	0.4
193.06487	1.2
194.07422	2.5
195.08113	0.6
199.07607	0.4
205.06508	1.2
206.07281	0.5
207.08173	0.5
209.09581	0.8
210.06721	0.8
211.07492	0.5
219.07933	0.5
221.05946	1.9
222.06758	2.3
224.08270	0.9
225.09128	1.9
234.06731	0.5
235.07652	0.7
237.09137	2.4
239.06914	0.4
239.10509	0.4
249.09148	0.7
250.06320	0.5
253.08641	1.9
254.09497	0.4
255.06630	0.3
259.09711	0.8
265.08600	6.1
266.09415	0.7
267.10153	1.4
269.08414	0.4
271.09518	0.5
277.08646	1.6
283.09708	1.0
285.11234	8.1
295.10022	0.4
295.32590	0.5
297.11285	7.5
297.14633	0.4
300.30099	0.4
303.04895	0.9
304.04761	0.5
309.11249	1.3
315.12524	0.8
317.06577	1.0
318.06879	1.1
319.04428	1.2
319.07526	2.5
319.16565	0.8
327.12796	0.4
361.14243	0.7
389.13776	0.7
401.13947	1.5
417.16760	0.4
421.16458	4.1
433.16449	2.3
463.10669	0.4
481.11319	0.6
481.21609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
57.03429	1.0
61.02917	1.0
65.03931	1.0
69.03434	3.2
69.55423	0.3
70.65421	0.4
71.00347	0.8
71.04953	0.4
81.03400	1.6
81.07030	0.7
85.02909	4.7
91.05502	0.4
92.04996	1.6
96.04512	0.5
96.08113	1.3
97.02891	2.3
98.21124	0.4
99.04476	0.5
106.06544	0.4
107.04890	0.3
108.08115	0.5
109.02863	0.9
109.06502	0.7
110.06060	0.5
120.04405	0.4
122.06068	0.4
122.09661	0.5
123.04404	0.6
124.07607	1.9
126.09158	10.0
127.03941	0.9
134.06029	0.8
137.02264	0.3
138.05447	0.5
138.09137	1.6
148.03896	0.8
150.05508	0.6
150.09152	0.6
152.03459	0.9
152.07068	7.1
153.01811	1.1
158.09729	0.5
161.07085	0.5
164.03391	0.9
166.05006	24.8
167.07184	0.4
168.10262	0.5
169.01361	0.6
169.08899	0.4
173.07169	0.8
176.03458	3.9
182.04492	7.3
185.08386	0.5
186.09227	0.5
194.04456	1.8
196.09897	0.4
198.07687	0.6
198.09300	0.5
199.08664	0.8
199.12404	0.5
200.10748	1.4
212.07368	0.5
212.09407	1.1
213.10139	0.6
214.10995	0.4
215.08182	2.0
215.11766	0.8
217.13348	0.7
221.87389	0.3
225.10248	2.5
227.08228	0.5
227.11809	3.7
228.10197	1.2
229.09721	0.6
229.13326	0.9
230.08134	1.0
230.10349	0.4
233.09206	2.1
240.08781	3.1
241.06102	0.6
241.09706	1.2
242.10432	0.8
243.11299	2.7
245.09312	0.9
245.12883	0.5
253.09695	6.7
254.08145	0.8
255.07713	0.4
255.11212	2.0
257.09268	1.5
257.12787	1.8
259.07147	4.5
261.12326	3.6
268.08423	0.4
271.10788	15.9
272.09097	1.4
273.08807	1.3
273.12195	1.9
277.03452	0.7
283.10779	17.1
285.12332	0.5
288.11078	1.4
289.11819	6.4
291.13394	0.4
301.11829	17.6
302.11896	0.5
319.04895	6.6
319.12885	100.0
320.13287	2.7
331.13101	0.4
343.13065	0.5
392.82089	0.4
457.59216	0.3
481.18192	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	481.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01880	1.0
55.05512	2.2
56.00416	1.1
57.03419	1.0
65.03944	1.3
67.05508	5.9
69.03441	5.6
69.07066	2.8
70.92338	1.6
70.92671	1.5
71.04985	3.5
78.19237	1.0
79.05489	7.0
81.03439	7.4
81.07052	6.6
83.04987	1.3
85.02908	3.3
85.06553	2.0
91.05489	9.8
93.07042	6.9
95.04979	2.7
95.08614	5.0
97.02909	6.7
97.06564	1.5
98.20856	1.1
99.04449	8.5
103.05476	1.7
105.07041	39.5
107.04942	2.0
107.08598	8.8
109.02841	5.6
109.06534	3.1
109.10168	3.7
111.04432	1.2
113.02375	100.0
114.08380	0.9
117.07012	1.7
119.04982	1.6
119.08585	6.7
121.06537	2.3
121.10160	3.6
122.00072	1.1
123.04441	2.4
123.08054	2.5
123.11713	3.1
125.09614	1.1
126.52519	1.0
127.03920	4.5
128.06233	2.2
129.07011	1.8
131.04945	2.2
131.08603	2.4
133.06529	3.7
133.10139	25.4
135.08073	2.1
135.11664	1.9
137.06004	9.1
137.09599	1.5
143.08549	5.5
145.06575	1.2
145.10129	3.4
147.04431	1.4
147.08087	2.9
147.11687	1.8
149.09650	1.2
151.07549	15.0
151.11195	1.8
153.01816	4.8
157.10188	2.1
159.08105	1.1
159.11722	1.5
161.09636	40.1
163.07582	1.2
163.11205	10.3
165.05457	1.4
167.07088	2.8
171.08128	1.1
173.09610	1.2
175.11188	1.1
177.09152	1.7
178.05054	1.6
179.10713	9.4
185.09666	1.3
189.09125	11.5
191.07002	2.7
191.10735	2.7
207.10144	7.0
225.11095	1.4
229.12129	1.7
241.12158	1.7
249.11133	1.2
269.11807	1.4
287.12723	1.3
292.61926	1.2
305.13815	1.9
323.14963	3.2
333.13235	2.1
351.14426	6.1
481.11032	4.1
481.68958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01867	4.2
55.05501	6.3
57.03412	2.8
57.07063	3.0
67.05519	11.3
69.03441	21.1
69.07066	6.8
69.45802	18.1
71.04996	15.6
79.05498	11.0
81.03426	12.4
81.07059	18.0
83.04966	2.7
83.08603	2.5
85.02924	5.6
85.06518	4.9
91.05479	20.1
93.07036	18.7
95.04956	5.5
95.08614	15.4
97.02898	9.9
97.06518	3.7
98.20985	9.0
99.04462	36.4
103.05444	3.7
105.07034	100.0
107.04960	3.0
107.08606	15.6
109.02856	7.7
109.06493	7.4
109.10126	10.9
113.02371	49.6
117.07016	2.8
119.08569	11.7
121.06485	6.8
121.10191	12.1
123.04425	8.6
123.08084	6.7
123.11713	7.2
125.06059	2.8
125.09601	3.0
127.03906	10.6
128.06236	4.3
131.08568	6.4
133.06479	13.7
133.10133	65.8
135.11717	5.8
137.05981	12.8
137.09657	3.2
143.08534	8.5
145.06537	3.5
145.10101	14.1
146.07210	5.6
147.08051	3.9
147.11667	4.0
149.09641	3.9
151.07555	15.6
151.11150	4.0
153.01813	10.4
153.05464	3.2
157.10146	3.0
159.08034	3.1
159.11693	4.4
161.09624	86.7
163.11191	25.6
165.05493	4.6
167.07062	2.6
170.82524	2.5
173.09599	3.9
173.13187	2.3
177.05450	2.9
179.10666	32.9
180.33118	2.3
189.09149	18.6
191.06990	3.2
191.10776	2.5
191.14374	3.4
207.10138	10.7
225.11186	2.1
287.12903	4.3
291.41376	2.3
305.14014	3.7
323.14828	2.7
351.14401	12.4
369.15442	8.0
467.12701	2.4
481.20578	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	481.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.3
53.03941	4.8
55.01868	5.1
55.05505	9.9
57.03432	4.5
57.07060	2.9
61.99838	1.6
63.41189	1.4
67.05506	12.5
67.36497	1.6
69.03431	24.8
69.07067	8.5
69.60739	10.6
71.05001	14.0
73.02909	3.0
79.05490	11.6
81.03418	17.7
81.07055	28.2
83.01358	1.8
83.04975	6.0
83.08619	5.7
85.02925	9.2
85.06548	8.4
90.66909	1.5
91.05480	21.6
93.07047	22.7
94.02905	2.5
95.04960	5.1
95.08609	20.0
97.02914	11.6
97.06457	3.3
97.10185	3.4
98.21227	6.4
99.04462	37.5
100.11247	6.6
103.05447	2.7
105.07033	100.0
107.04988	1.8
107.08585	18.0
109.02877	10.3
109.06535	9.1
109.10158	13.0
111.04482	2.8
111.08095	2.9
113.02374	59.3
113.05981	2.2
113.09655	1.8
117.07053	4.6
119.08581	19.8
121.02887	4.0
121.06497	10.0
121.10160	13.6
123.04421	6.7
123.08045	11.6
123.11703	7.6
125.05978	5.3
125.09634	6.2
127.03919	14.6
128.06219	3.0
129.07042	2.8
131.04994	1.6
131.08553	6.8
133.06508	12.7
133.10132	80.2
135.04387	2.6
135.08044	4.9
135.11716	4.8
137.05971	15.8
137.09605	3.7
139.03979	2.8
139.11148	3.1
141.12839	1.9
143.08572	7.1
145.06476	1.9
145.10136	11.6
146.07243	4.9
147.04482	3.4
147.08075	4.7
147.11694	5.9
149.09647	4.9
149.13210	3.1
151.03969	2.7
151.07562	21.8
151.11211	6.8
153.01808	12.5
153.12762	2.4
153.35214	1.6
156.13960	2.2
157.10207	2.7
159.08150	3.0
159.11722	4.1
161.09619	92.1
161.13237	3.2
163.11185	32.6
164.11540	1.8
165.05411	3.3
165.09169	3.6
167.07056	8.6
167.10721	1.8
171.08072	4.1
171.11703	4.0
173.09674	2.6
173.13368	3.4
175.11197	3.3
177.05461	2.7
177.09114	3.0
179.09087	2.6
179.10677	46.7
182.15480	1.9
182.42001	1.5
187.11195	2.5
187.14832	1.7
189.09100	25.6
189.12686	2.4
191.10666	3.6
191.14253	2.9
193.08597	2.2
193.12178	2.4
197.09547	2.1
199.07530	2.0
201.09218	2.0
203.10762	2.6
207.10178	21.5
213.16377	1.6
225.11218	3.9
229.11896	7.9
266.28201	1.6
287.12808	3.6
301.21799	2.6
305.13879	3.7
309.21683	2.1
319.04553	4.7
319.22693	1.8
323.14972	4.0
333.13342	4.9
351.14420	13.6
367.29037	1.9
369.15479	5.3
412.69949	1.6
427.28619	2.4
445.29437	5.2
463.29993	2.1
481.20212	4.5
481.28531	3.0
481.37231	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	481.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01869	0.4
57.03433	0.4
61.02927	6.2
64.05059	0.2
65.03939	0.2
67.01868	0.3
67.05492	0.3
68.01383	0.2
68.99787	1.4
69.03103	0.3
69.03431	1.5
70.62712	0.5
71.05025	0.5
73.02912	1.5
79.05498	0.3
81.03416	1.2
85.02905	5.1
91.03957	3.0
91.05475	0.3
93.03378	0.3
93.07043	0.3
94.04174	0.4
94.50278	0.2
95.02451	6.9
95.04973	0.2
95.08601	0.4
97.02274	0.4
97.02894	6.3
98.20851	0.2
99.04450	0.6
105.07037	0.4
109.02878	2.1
109.06496	0.2
110.17910	0.2
111.00791	2.0
111.04409	0.5
113.03490	25.3
114.19841	0.2
115.03931	0.3
115.05448	0.2
118.97570	0.2
119.08570	0.4
121.02850	0.3
121.06486	0.2
122.03663	1.2
123.08073	0.3
125.02326	0.4
126.03221	0.2
127.03918	2.5
131.04950	0.3
133.06477	0.3
133.10132	0.2
135.04401	0.4
137.02353	2.3
137.05974	12.1
139.03912	0.4
145.04968	0.6
147.04359	0.4
149.09634	0.3
153.01828	10.4
153.05432	0.5
161.05963	0.7
163.07539	0.2
165.01834	3.1
165.06978	0.3
166.02617	0.5
167.07039	0.5
169.01311	0.4
174.10458	0.3
177.05479	0.5
179.03407	1.5
183.02887	1.1
189.05505	0.9
189.07040	0.2
189.12735	0.8
193.01257	0.3
194.07321	0.5
195.02888	0.7
199.03868	0.5
203.03310	0.5
207.02940	0.3
207.13857	0.4
211.07635	0.3
217.04990	3.7
221.05833	0.8
222.06798	0.3
227.03375	0.5
229.05016	0.4
231.02849	0.3
233.04669	0.2
235.02399	0.3
235.05949	0.4
237.09041	0.4
238.06108	0.2
239.06631	11.7
244.03641	0.4
245.04462	4.8
253.08397	0.2
255.02824	0.5
257.07590	1.1
259.14307	0.2
263.05487	0.6
264.07404	0.2
265.08630	1.3
267.09885	0.2
272.03146	0.3
273.03925	4.8
282.08728	0.2
285.11237	0.5
287.14029	0.5
290.04138	1.2
291.05026	0.3
297.11282	1.1
301.03394	1.2
309.11133	0.2
315.12210	1.4
319.04477	100.0
320.04791	1.8
331.04285	0.3
349.05573	0.3
481.09760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42117	1.6
56.96577	3.1
67.05498	2.2
69.03428	6.1
71.55255	2.6
79.01875	3.8
81.03424	7.5
85.02910	5.3
91.13220	1.7
95.04993	2.3
96.83350	1.8
97.02903	6.6
98.97585	5.0
109.02895	5.9
113.06041	2.1
116.98648	2.8
125.02367	2.9
127.03935	9.8
129.69560	1.9
139.03920	2.4
143.03407	5.4
145.04968	2.3
147.33954	1.7
149.08078	3.3
153.01837	100.0
154.02165	4.5
158.99583	2.1
166.05026	2.6
167.09135	3.3
171.02843	8.0
177.00581	2.0
237.02829	2.2
247.02571	2.6
260.04984	2.2
263.01929	2.3
273.00214	2.6
283.10870	3.0
297.06180	3.8
303.01492	2.0
315.07028	10.3
319.12823	9.0
427.67014	2.0
460.34161	1.8
481.13116	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01871	12.5
55.05516	0.9
57.03438	25.0
57.07070	2.2
59.04989	3.8
59.46687	0.9
60.04512	0.9
60.60968	1.0
61.02931	17.6
67.05508	6.4
69.03429	53.8
69.07069	64.9
69.98445	4.4
71.01353	6.7
71.05002	4.8
73.02918	100.0
79.05493	2.0
81.03421	8.9
81.07058	19.8
83.04974	2.0
83.08643	1.4
85.02908	96.5
87.04462	7.5
91.03963	4.4
91.05493	1.3
93.07037	1.7
95.04981	1.7
95.08625	5.1
97.02894	88.4
98.20757	1.0
98.21301	1.9
99.04471	6.5
103.03943	2.7
105.07026	3.3
107.04959	1.8
107.08600	2.5
109.02892	8.1
109.06529	3.0
109.10162	11.1
113.05968	1.2
115.03935	45.7
121.10115	1.9
123.11708	78.0
127.03922	31.0
127.07571	1.2
129.93721	1.0
133.04970	41.5
133.10139	1.8
135.11668	1.6
137.05981	1.1
144.06616	2.4
145.04962	39.2
151.11188	64.0
152.11523	1.0
153.12766	3.9
157.04988	1.1
160.87315	1.0
161.09628	1.9
163.06007	8.5
169.12241	8.7
177.05392	1.0
180.08682	2.4
181.04842	2.0
193.05017	1.2
199.06046	3.1
217.07127	1.6
223.06070	5.3
241.07071	7.7
257.01294	1.0
259.08069	6.6
265.14319	1.8
276.10938	1.1
277.09149	1.7
283.15405	23.8
294.12146	1.2
313.16446	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.60444	0.3
55.01852	0.4
57.03408	0.5
61.02925	7.3
61.30416	0.4
61.39693	0.4
69.03423	1.1
70.07054	1.4
73.02894	1.6
75.70959	0.5
77.81260	0.4
78.18530	0.5
78.53043	0.4
81.03411	0.6
85.02905	6.5
91.03960	3.2
97.02893	3.1
98.20902	0.5
98.21416	0.6
99.04439	0.4
113.02339	0.4
121.02887	0.7
123.04463	0.8
125.02337	0.5
127.03907	0.8
133.53281	0.4
137.02367	2.7
141.01839	0.5
145.04965	1.2
153.01830	1.2
161.05952	0.5
169.01321	7.6
171.04410	1.3
175.03853	0.6
177.05429	0.5
181.01334	1.5
189.05455	0.6
199.03929	1.2
217.05035	1.7
227.03456	0.6
234.57297	0.4
235.80748	0.4
245.04445	3.3
263.05490	0.8
273.03928	3.2
290.03976	0.5
301.03381	1.4
319.04492	100.0
320.04874	2.2
326.23624	0.4
385.63559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.20792	0.7
54.67762	0.6
59.08091	0.6
61.02932	5.6
65.92708	0.7
68.99784	1.6
70.86409	1.3
70.86736	0.9
73.02903	1.3
85.02906	6.0
91.03950	2.9
97.02905	3.9
102.51831	0.6
109.02858	0.9
111.00809	1.9
127.03896	1.1
130.97847	0.7
135.05170	0.6
137.02354	2.5
137.06012	2.3
145.04921	0.9
153.01843	8.3
165.01851	3.6
169.68280	0.7
171.71692	0.7
179.03386	1.2
183.02878	0.8
202.06570	0.7
217.05002	3.1
221.04546	1.0
245.04506	4.0
273.03876	3.5
290.04294	1.0
301.03387	1.1
319.04504	100.0
320.04944	1.5
459.03442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0978
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03934	0.8
55.01856	0.7
55.05521	0.3
57.03431	1.6
61.02932	2.2
67.05508	0.6
68.99782	1.5
69.03076	0.5
69.03429	7.1
69.29810	0.9
69.30232	1.7
70.06570	1.2
71.01365	0.4
71.04992	0.5
73.02920	2.8
79.05483	0.5
81.03411	2.5
81.07079	0.3
83.18523	0.3
85.02908	15.3
87.04448	0.9
90.06938	0.3
91.03947	0.8
91.05473	0.7
93.03387	0.3
93.07050	0.7
95.04968	0.4
95.08608	0.4
96.08114	0.5
97.02892	5.2
98.21238	1.3
99.04436	1.3
103.05440	0.3
104.37589	0.3
105.07027	0.8
107.08577	0.8
109.02882	2.7
109.10158	0.4
111.00809	2.6
111.04440	0.4
113.02350	0.3
113.03488	0.4
115.03936	0.4
115.05495	0.3
119.08518	0.3
121.02817	0.3
121.06509	0.3
121.10139	0.5
123.04429	0.7
125.02339	0.3
127.03922	4.1
129.53537	0.3
131.08572	0.3
136.07651	0.3
137.02327	2.8
137.05980	2.3
139.03891	0.3
143.03389	0.3
145.02849	0.4
145.04974	2.3
145.10083	0.3
147.04391	0.9
147.11674	0.5
148.62321	0.3
149.05966	0.4
153.01826	14.1
161.05959	0.8
163.11237	0.3
163.68594	0.3
165.01833	3.6
166.02637	0.8
167.03427	0.5
167.07022	0.6
171.04361	0.6
177.05467	1.2
179.03410	1.7
183.02919	1.0
189.05476	1.1
193.01396	0.4
195.02934	1.0
199.03947	0.4
203.03374	0.6
207.02968	0.3
217.04953	4.3
219.03003	0.4
227.03300	0.4
231.02850	0.6
235.02492	0.4
235.06088	0.3
245.04488	5.6
255.02983	0.5
261.03986	0.4
263.05502	0.8
273.03937	5.1
290.04163	1.3
301.03555	1.3
301.11185	0.3
318.03751	0.5
319.04486	100.0
320.04822	1.6
343.04581	0.6
361.05655	0.5
370.87979	0.3
481.09702	1.1
481.15988	0.4
481.22833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03950	1.1
54.65808	0.5
55.01889	0.7
57.03441	0.7
67.52929	0.6
69.03423	3.3
71.57098	0.9
79.01856	1.7
81.03423	6.6
82.13583	0.5
85.02898	2.7
90.62988	0.6
97.02912	5.8
99.04459	1.1
107.01350	1.3
109.02885	4.9
125.02367	2.3
127.03939	8.5
143.03413	4.8
145.05040	0.8
153.01846	100.0
154.02162	0.9
171.02910	13.1
171.04381	0.6
201.01926	0.7
257.00906	0.6
285.00323	0.9
297.06052	8.0
303.01465	3.7
304.01746	1.6
315.07147	14.9
315.10800	1.1
328.17328	0.6
481.00549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
63.84311	0.5
69.03430	3.2
71.57763	1.1
75.74607	0.5
78.31376	0.5
79.01847	2.5
81.03418	6.2
85.02903	2.4
89.76492	0.5
97.02888	5.0
98.21548	0.5
99.04453	1.2
99.10296	0.6
101.98782	0.6
107.01311	2.0
107.48523	0.5
109.02872	5.5
110.07126	0.5
117.92381	0.5
120.57921	0.5
125.02356	2.6
127.03917	7.9
138.05492	0.7
143.03383	4.4
145.04926	1.5
153.01831	100.0
153.02788	3.8
154.02171	1.5
171.02888	14.8
190.89790	0.5
194.32248	0.5
203.34970	0.6
297.06009	11.1
303.01352	2.1
304.01682	1.1
315.07138	16.1
359.55118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.0
53.03947	4.6
55.01865	5.7
55.05523	16.9
56.05828	2.9
57.03431	6.7
57.07074	4.6
61.63750	2.2
65.03955	3.2
67.05508	42.1
68.05830	8.7
69.03431	3.5
69.07074	18.8
70.07396	5.4
70.14360	8.2
71.04986	5.3
79.05492	30.6
80.05836	7.6
81.03426	23.2
81.07057	58.4
82.03753	4.3
82.07400	16.7
83.01340	9.9
83.04962	11.4
83.08613	12.6
84.08959	2.7
85.02906	10.7
85.06519	3.0
85.92953	2.4
88.68220	2.1
91.05491	36.7
92.05815	9.8
93.07050	34.0
94.07363	10.6
95.04972	17.7
95.08604	25.8
96.05322	4.8
96.08954	6.6
97.06543	7.1
97.10188	4.8
98.21301	4.1
99.08089	2.3
103.05479	29.0
105.07031	23.1
106.07375	6.7
107.04962	20.3
107.08607	15.0
108.08947	7.1
109.06522	7.6
109.10142	10.7
110.10483	4.8
111.08089	8.4
115.05482	5.5
117.07037	10.8
118.07366	4.0
119.04947	4.2
119.08599	9.5
120.08910	4.3
121.06509	5.4
121.10168	10.9
122.06909	3.3
123.11715	6.6
125.05997	3.6
128.06241	2.7
129.01822	3.1
129.07016	7.1
131.04935	48.3
131.08589	7.0
132.05742	2.8
132.08932	4.2
133.06488	8.3
133.10107	11.2
134.10504	5.0
135.04359	3.8
135.08080	4.4
135.11726	4.5
136.04866	2.6
136.12059	3.9
137.05986	42.3
137.09676	3.6
141.06985	4.6
145.06496	6.6
145.10120	3.3
146.03650	3.5
146.10481	2.8
147.04401	6.6
147.08044	5.8
147.11708	6.5
148.08809	6.4
148.12035	5.3
149.06009	5.5
149.09631	3.9
149.13243	6.3
150.10022	2.6
150.13567	3.8
151.07550	9.4
151.11188	3.7
153.05475	10.2
154.05832	5.5
156.08992	2.2
157.06528	2.9
157.10135	4.5
158.10503	3.0
159.11708	5.4
160.11922	3.3
161.05989	46.5
161.07262	4.4
161.09608	5.7
162.06746	7.1
163.07553	28.3
167.07054	10.2
168.07349	2.3
169.06522	5.8
173.09589	2.5
174.06793	6.3
175.07588	20.4
175.11230	6.0
179.07042	6.2
181.04985	9.0
182.05330	5.2
189.09103	10.1
190.07826	3.0
193.12250	11.2
193.90274	2.7
194.07275	5.3
194.08945	2.2
194.12628	10.5
195.06537	7.2
195.13751	3.6
196.06898	3.9
199.05981	13.6
200.06425	8.0
201.09180	14.7
205.06633	2.8
205.10170	5.6
207.31082	2.3
209.09753	3.7
211.13345	13.6
212.13632	10.5
217.08633	10.9
222.06796	6.7
233.09677	12.5
237.09113	4.2
237.11226	5.1
238.11607	6.1
249.11240	10.8
250.06241	3.4
250.11702	4.7
261.09079	5.0
261.11261	100.0
262.11841	3.1
263.06909	2.5
265.08612	21.2
265.12262	8.8
269.08191	2.6
278.09381	3.3
281.11502	2.6
285.11459	4.2
293.11679	28.6
297.11246	47.2
307.13077	2.4
310.11960	2.9
311.12732	2.7
325.14319	37.5
326.86746	2.7
344.22940	3.1
345.45239	2.4
353.13687	19.8
370.24454	4.3
385.16516	16.4
388.25647	4.3
444.32010	39.9
462.33502	35.6
480.29459	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3369
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
50.77729	2.9
52.85636	3.2
52.97073	2.7
53.03935	5.6
54.45008	3.0
55.05515	38.1
57.03410	3.0
57.07079	28.4
67.05509	45.5
69.03418	8.9
69.07069	44.5
69.99017	9.2
69.99418	5.3
71.05003	7.6
71.08624	8.4
73.06559	9.2
78.72168	2.9
79.05490	20.7
81.06582	3.8
81.07061	76.1
83.01349	19.1
83.04998	21.9
83.08632	19.8
85.02908	9.0
85.06544	13.1
91.05473	17.3
93.07056	33.6
95.04967	5.7
95.08614	56.2
97.06541	10.5
97.10163	14.2
98.21075	6.6
99.08096	3.8
105.07029	15.8
105.84911	2.9
107.04893	3.1
107.08589	30.1
109.06495	15.6
109.10160	40.2
111.08078	7.5
111.11733	6.4
119.08577	13.8
121.06537	6.2
121.10121	23.9
123.08074	16.6
123.11710	23.9
125.06017	11.9
125.09610	3.6
129.07068	4.1
131.08560	8.6
133.10153	18.4
135.08078	6.2
135.11630	15.6
137.05972	19.9
137.09586	6.7
137.13225	8.5
139.03923	3.9
139.07539	28.2
139.11159	3.3
140.02655	3.6
143.08586	5.1
145.10165	13.9
147.08044	3.6
147.11697	10.5
149.09651	8.7
149.13271	13.1
151.07571	11.9
151.11176	13.3
153.05498	5.8
153.09123	7.7
159.11705	9.2
161.09590	6.1
161.13268	6.8
163.07518	4.7
163.11154	6.8
163.14870	7.3
165.09154	9.5
165.12724	5.0
167.07091	5.5
171.11702	5.5
173.09753	3.4
173.13252	3.3
175.11172	6.8
175.14929	6.3
177.09152	9.2
177.12741	5.5
179.10695	11.3
181.08600	9.5
181.12276	8.6
183.06566	4.0
187.11203	4.2
189.12779	7.5
189.16409	6.0
191.10690	6.6
191.17822	3.4
193.12242	12.5
195.13863	10.3
199.14822	3.6
201.12720	4.1
205.12234	4.9
207.10234	5.5
207.13814	9.6
209.11830	6.5
221.11697	6.7
235.13284	3.5
235.16945	3.5
247.17070	3.6
249.18529	5.2
302.04111	6.7
317.06613	6.8
331.26489	4.9
333.27924	14.3
341.24689	5.0
343.26251	4.4
359.25873	24.2
361.27350	11.4
369.24167	8.8
377.26947	22.4
377.31094	4.3
387.25366	18.5
397.31107	5.5
399.32394	5.4
405.26224	15.4
415.31961	11.8
417.33536	21.9
425.30560	5.1
433.32742	5.0
443.31439	25.7
461.32620	100.0
479.33725	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01872	3.9
55.05512	17.7
57.07078	100.0
60.34787	2.4
61.27263	2.6
67.05504	15.0
68.17844	3.0
69.03424	3.9
69.07072	22.5
70.50051	2.7
71.04996	2.8
71.58115	4.5
79.05497	10.0
81.07056	36.8
83.01340	9.9
83.04971	5.8
83.08616	11.6
85.06068	4.9
85.06548	67.7
91.05460	9.6
93.07045	13.7
95.04951	3.2
95.08610	40.9
97.06521	2.7
97.10169	7.3
105.07032	11.2
107.08595	17.8
109.06530	4.2
109.10153	20.6
111.04470	4.0
111.08050	3.4
117.06997	4.0
119.08621	6.6
121.06519	6.2
121.10154	13.3
123.04423	8.4
123.08119	4.2
123.11713	18.4
125.05981	4.2
127.11121	3.9
131.08525	4.2
133.06505	3.3
133.10091	5.1
135.08073	5.0
135.11673	3.4
137.05986	16.0
137.13266	11.4
139.03883	10.9
139.07523	4.2
141.05461	6.7
145.10156	5.4
147.11693	4.9
149.09569	6.2
149.13298	5.4
151.03905	2.7
151.07556	9.4
151.14867	3.8
153.05481	14.0
157.10172	4.9
158.56635	2.6
159.07980	3.6
159.98502	2.5
161.09624	3.5
161.13252	4.2
163.07619	7.8
163.14822	3.4
165.05505	6.4
165.09102	3.0
165.16440	3.0
167.07022	3.6
169.04968	4.3
173.09604	3.1
173.13313	5.0
175.11125	3.3
177.05464	3.2
177.09126	10.7
179.07051	11.1
181.04913	6.5
183.06535	13.1
184.80476	2.6
185.13535	3.8
189.12801	3.7
191.10675	6.1
193.12268	4.0
201.16399	2.6
203.10661	3.5
205.08601	5.3
205.11838	2.7
219.10143	2.7
233.11761	3.8
255.12175	3.6
261.15033	3.1
291.16098	3.1
297.16956	3.0
302.04141	3.4
303.01257	3.1
311.18661	3.6
317.06567	4.0
321.27536	2.9
325.20007	7.6
333.27606	2.9
339.21692	6.4
359.25522	6.2
377.26721	3.6
386.47815	2.4
387.28644	3.3
395.27844	29.6
397.31006	4.0
399.32635	3.7
401.30292	7.7
402.30405	2.9
405.25903	4.2
415.31802	5.3
417.33618	8.5
425.30975	3.0
433.33176	23.0
443.31558	33.9
461.32489	35.1
479.33725	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	479.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01885	6.7
55.05511	52.7
57.07072	62.9
67.05494	49.6
69.07064	100.0
71.08626	23.4
79.05495	40.3
81.07049	96.1
83.01326	12.4
83.08630	54.0
85.06576	9.6
85.10176	19.7
90.72884	7.3
91.05479	35.9
93.07047	60.7
95.04977	17.1
95.08607	99.8
97.10169	26.1
98.20872	42.8
98.21581	18.5
105.07041	27.6
107.04911	10.1
107.08595	45.1
109.06523	15.1
109.10145	59.1
111.11747	15.4
117.07038	16.6
119.08586	33.3
121.10135	40.9
123.04382	11.6
123.11702	25.8
125.05991	31.2
125.13332	10.7
131.08562	29.6
133.10120	28.1
135.11708	26.2
137.06030	11.2
137.13303	12.8
141.05505	15.1
143.08542	10.5
143.71259	7.8
145.10135	30.3
147.11699	19.5
149.09628	16.8
149.13286	17.7
153.05547	13.4
157.10127	15.4
159.11641	10.5
161.09656	10.0
161.13246	11.5
163.07513	15.5
163.11215	20.8
165.09068	16.5
167.07008	8.4
169.04994	23.8
175.11255	7.8
177.09120	71.7
178.09860	8.9
179.10681	15.6
181.04945	20.8
181.96431	9.7
182.05305	9.9
189.09123	17.7
190.09868	8.9
191.10681	15.4
203.10544	14.1
205.12224	12.4
207.10196	13.1
217.12172	12.6
229.31390	9.8
231.13824	17.9
261.92007	8.8
302.04077	17.3
303.01440	8.5
317.06506	30.7
371.29486	10.8
372.30435	14.8
373.30978	27.1
399.32660	10.4
415.32196	16.4
417.33575	28.7
433.33218	14.8
443.31702	11.0
461.32285	23.3
479.27539	11.0
479.34073	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	479.3366
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
51.01989	1.6
55.01886	2.8
55.05510	13.6
57.07078	100.0
58.43675	1.5
61.57111	1.7
65.03939	2.9
67.05513	14.4
69.07067	19.2
69.49632	10.5
71.04990	3.1
79.05506	7.9
81.07058	31.9
83.01346	5.9
83.05009	3.4
83.08612	11.5
85.06546	63.5
91.05485	5.4
93.07053	9.2
95.04968	3.6
95.08606	31.3
97.10172	7.3
98.21018	7.0
105.07028	6.8
107.04960	2.2
107.08609	8.7
109.06500	3.4
109.10168	17.9
111.04439	3.4
111.11717	2.8
117.07016	1.9
119.08614	4.9
121.06485	4.3
121.10141	7.4
123.11700	14.2
125.02399	2.8
125.06007	4.9
127.11197	5.1
131.08585	5.7
133.10104	4.7
135.08066	5.4
135.11716	4.5
137.05988	14.1
137.09650	1.8
137.13237	8.6
139.03902	14.5
139.07614	2.2
140.25284	1.7
141.05482	6.2
145.10149	4.7
147.08044	2.6
147.11717	5.2
149.09587	2.9
149.13280	7.2
151.07588	4.7
153.05467	27.7
157.10100	3.5
159.11685	3.6
161.09648	4.1
161.13297	2.5
163.07536	4.2
163.14812	3.7
165.05528	4.0
165.09155	2.0
167.07076	4.1
169.04958	8.1
171.11711	4.3
173.13400	2.1
175.07545	2.2
175.11165	2.4
177.05498	6.0
177.09084	8.0
179.07097	11.4
179.10638	1.9
181.05003	4.5
189.12758	2.6
191.07040	3.3
191.10660	5.5
193.08653	2.3
193.19530	1.8
195.06517	5.7
205.08556	5.6
205.12358	2.8
207.10068	2.0
219.10155	1.9
231.62250	1.8
231.64558	1.8
233.11856	2.9
321.27963	2.4
359.25690	2.3
369.40454	2.0
377.27029	4.0
387.28918	3.5
397.30984	4.3
399.32684	5.1
401.30453	10.0
415.32025	5.4
417.33481	10.4
419.31528	4.8
433.33148	29.8
434.21371	1.7
443.31531	52.3
461.32648	46.8
462.33035	1.8
479.33420	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	479.3365
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03942	4.9
54.29157	0.6
55.01862	1.4
55.05511	9.0
55.18433	0.6
57.07081	6.6
65.03947	2.2
66.34112	0.6
67.05505	16.8
67.31992	0.5
69.03445	0.7
69.07067	10.2
71.02702	1.4
71.05000	2.0
71.08614	0.7
73.06538	1.1
77.92681	0.7
79.05494	8.6
81.03413	4.1
81.06577	1.1
81.07056	21.9
83.01336	10.1
83.04989	2.5
83.08628	5.2
85.02913	1.7
85.06547	2.4
91.05480	6.1
91.96673	0.6
93.07048	9.3
95.04971	3.8
95.08606	11.3
97.02905	2.1
97.06526	1.8
97.10193	1.8
105.07034	3.6
107.04950	3.3
107.08617	4.7
109.06527	2.7
109.10152	6.1
111.08092	1.4
117.07019	1.4
119.08592	2.8
121.06522	0.8
121.10120	3.1
121.49493	0.6
123.11701	3.4
123.52575	0.6
125.05962	0.7
129.01839	4.5
129.07018	1.3
131.08620	2.3
133.10162	1.9
135.04424	12.6
135.08145	0.9
135.11728	1.7
137.06003	0.9
137.13260	1.1
145.10152	0.7
147.11731	1.3
149.09602	0.8
149.13293	1.8
153.05475	6.1
157.10136	1.1
159.11693	0.8
163.03946	2.0
167.07187	0.8
167.88094	0.7
175.11249	2.5
177.12799	0.9
181.04962	33.6
183.06534	1.0
193.08745	0.5
193.12224	4.7
195.06537	26.7
195.13972	1.1
199.06021	46.4
207.06549	0.9
209.08081	13.5
209.09885	0.8
211.13246	4.3
213.14542	0.6
221.08168	1.6
222.07680	0.7
223.09680	14.0
235.09737	2.1
237.11226	11.2
237.13409	1.0
249.11189	4.1
251.12782	6.0
256.66489	0.6
263.12888	1.8
265.14410	3.0
267.16003	0.8
269.17447	0.7
279.15979	1.7
291.16068	1.5
293.17624	2.4
299.98489	0.7
305.17670	0.8
307.19113	3.6
318.44217	0.7
319.19397	1.6
321.20496	1.1
333.20618	0.7
335.22522	0.7
336.57898	0.6
369.24673	0.7
375.25052	0.9
377.27020	2.3
387.25412	1.0
389.26974	2.3
405.26410	5.7
431.32050	0.8
443.31589	11.0
461.32672	63.8
462.33167	2.1
479.33856	100.0
480.34125	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	479.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01862	4.5
55.05514	19.7
56.96550	2.1
57.03438	5.9
57.07072	6.7
57.07296	1.2
59.05006	2.9
60.04536	1.5
61.02904	2.1
65.03925	2.6
67.05508	49.7
69.03427	2.2
69.07075	21.7
71.04984	3.8
79.05058	1.9
79.05495	30.8
81.03420	20.6
81.07058	61.5
82.07353	1.3
83.01351	9.1
83.04996	7.3
83.08627	15.3
85.02906	10.2
85.06528	3.0
91.03960	1.6
91.04958	2.1
91.05487	27.6
93.07050	34.4
95.04963	12.7
95.08609	23.4
97.02880	3.3
97.06527	5.6
97.10171	6.4
98.20898	5.8
99.08120	1.7
103.05442	1.3
105.07033	15.6
107.04974	7.1
107.08601	16.2
109.06486	3.3
109.10162	13.2
109.89136	1.2
111.08104	7.2
112.11756	1.2
113.06026	1.3
117.07008	5.6
119.08599	10.4
121.06501	3.0
121.10152	11.1
123.08018	1.8
123.11709	6.6
125.09660	3.9
129.01831	5.5
129.07043	6.0
131.08580	8.5
133.10144	11.1
135.04425	11.2
135.08092	2.5
135.11676	5.3
137.05992	1.3
137.13252	2.1
142.07739	1.5
145.10103	1.7
147.08054	1.7
147.11668	5.7
149.09633	2.3
149.13261	8.0
151.07561	1.4
153.05460	6.4
155.08522	1.5
157.10147	6.4
159.11714	5.4
165.12756	1.2
167.06969	2.1
175.11159	4.8
177.12758	2.6
181.04955	36.2
183.06532	2.6
189.11281	1.5
193.12222	17.0
195.06522	22.6
195.13788	3.4
199.06029	42.8
199.14825	1.5
207.06549	1.8
209.08119	10.0
211.13289	18.3
213.07716	1.3
221.08090	1.5
223.09648	11.6
226.48526	1.5
227.12712	2.1
235.09630	1.6
237.11205	11.8
249.11266	7.4
251.12762	5.5
263.12872	3.0
265.14291	4.5
267.09073	5.2
267.15775	3.2
269.10629	2.1
269.17444	2.8
277.14255	1.3
279.15845	2.1
285.10059	9.2
293.17474	4.3
303.01334	2.1
307.18973	4.4
316.11807	1.8
316.28445	1.5
317.28986	1.4
324.11575	5.0
361.23764	1.8
369.24280	3.6
375.25211	1.8
387.25241	9.1
405.26352	100.0
406.26974	2.1
443.31622	44.6
444.32492	1.3
461.33182	30.2
479.29431	20.8
479.33951	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39835	0.7
51.02365	1.0
53.03944	5.0
54.05310	0.7
55.01866	2.3
55.05512	11.5
57.03438	2.0
57.07069	2.7
60.39111	0.7
64.78745	0.7
65.03925	1.5
67.01859	1.2
67.05505	23.8
69.07073	15.6
70.70690	2.2
71.04993	1.7
71.08623	1.4
79.05493	12.5
81.03428	5.7
81.03824	0.9
81.07059	32.3
83.01349	12.1
83.04974	2.7
83.08620	7.1
85.02921	2.4
85.06560	2.2
91.05478	9.2
93.07046	14.5
95.04968	8.5
95.08611	19.1
97.02892	1.0
97.06541	2.5
97.10181	3.4
103.05434	0.9
105.07043	7.5
107.04964	2.9
107.08607	6.5
109.06534	3.4
109.10159	9.2
111.04440	0.8
111.08090	1.3
117.07034	3.0
119.04913	1.2
119.08603	3.7
121.06523	2.6
121.10152	5.3
123.08041	1.0
123.11726	3.4
125.05989	0.9
125.09639	1.8
127.78999	0.8
129.01825	4.4
129.07013	1.3
131.08557	3.4
133.06419	1.3
133.10133	4.3
135.03490	1.1
135.04422	8.8
135.08087	1.4
135.11711	2.3
137.05959	2.1
137.13307	1.6
137.63557	0.7
139.07462	0.9
142.07799	1.1
143.08568	1.7
145.10146	2.1
147.08054	2.7
147.11713	3.4
149.05989	2.9
149.09627	0.8
149.13275	2.4
151.07587	0.9
151.14859	0.8
153.05518	4.8
157.10127	2.6
159.11693	1.8
161.13223	0.9
163.03885	1.8
163.11209	1.4
167.07051	37.5
175.11203	3.1
177.12852	1.1
179.07043	1.2
181.04971	24.4
182.76439	1.0
183.06570	1.4
189.09090	1.7
193.12262	3.6
195.06511	18.2
198.07784	0.8
199.04172	1.7
199.06015	32.4
203.10757	1.1
207.06516	2.8
207.10201	2.4
208.48158	0.9
209.08105	7.0
211.13286	3.3
221.08107	2.4
223.09665	10.7
231.10201	1.4
235.09686	3.2
237.11215	13.2
249.11258	13.9
251.12860	2.8
263.12665	4.2
265.14331	1.2
269.17389	0.9
277.14304	1.2
291.15982	1.1
293.17447	1.4
305.17383	1.5
307.19189	2.3
319.19080	2.6
323.23114	0.9
343.22565	1.4
361.23630	0.9
369.23984	1.4
387.24988	2.8
401.39108	0.9
443.31879	5.2
461.32706	100.0
462.32855	3.8
479.34351	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93662	2.1
53.03937	6.2
55.01871	5.9
55.05294	2.2
55.05514	24.5
56.85966	2.2
57.03436	13.4
57.07068	4.6
65.03947	4.2
67.05507	81.7
67.05872	5.2
69.03426	3.2
69.07068	26.7
71.04990	8.0
71.24829	5.9
72.02982	2.0
72.99510	2.0
79.05057	4.0
79.05498	68.7
81.02975	4.1
81.03417	46.1
81.07056	100.0
83.04974	18.0
83.08618	31.4
85.02905	22.9
85.06544	5.5
91.05485	54.3
93.07041	73.7
93.07623	4.3
95.04971	28.5
95.08606	23.5
97.02875	2.8
97.06522	11.0
97.10158	4.4
98.21190	3.2
99.08079	2.7
105.07032	32.9
107.04949	8.6
107.08597	34.8
109.06516	6.8
109.10138	8.0
111.08060	14.8
113.06007	2.2
115.05454	2.9
117.07024	9.8
119.08596	21.0
121.06519	4.9
121.10152	25.1
123.08022	2.7
123.11734	3.6
125.09628	3.9
129.07011	11.9
131.08580	20.0
133.06458	3.2
133.10138	22.9
135.08066	3.3
135.11673	11.4
137.05962	2.4
143.08565	3.9
144.76944	2.0
145.10120	5.5
147.08047	3.0
147.11691	18.3
149.09595	7.2
149.13278	26.2
157.10101	14.2
159.11707	14.4
161.09639	2.0
165.12766	3.3
166.75223	2.5
167.07050	7.9
175.11200	14.1
177.12735	7.4
181.04971	2.5
189.11247	2.0
193.12242	48.4
195.13866	12.9
197.04456	4.2
199.06108	2.5
211.13293	51.6
229.12338	2.1
233.15619	2.7
267.15851	6.2
269.17410	5.7
303.01529	2.6
369.23746	3.8
387.24969	4.2
393.40121	2.0
436.20761	2.3
461.28351	11.9
479.29892	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.337
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03941	6.4
55.01865	4.2
55.05264	1.2
55.05515	22.2
57.03447	5.5
57.07067	3.9
57.66703	0.9
58.25172	0.9
58.91162	0.9
59.04984	1.5
65.03932	2.5
67.05511	45.5
69.03407	2.8
69.07077	21.7
69.72871	0.9
70.03796	1.0
70.29565	3.6
71.04990	4.3
73.30726	0.8
79.05498	34.3
81.03422	21.0
81.07063	65.1
82.07381	1.2
83.01347	9.0
83.04987	10.0
83.08627	18.1
84.05318	1.2
84.88497	1.1
85.02913	9.4
85.06552	5.5
87.97047	0.8
91.04958	1.7
91.05490	26.1
93.07053	36.9
94.07343	1.2
95.04980	18.2
95.08614	28.2
95.09231	1.7
97.02889	2.2
97.06549	6.4
97.10144	4.8
98.21285	2.3
99.08100	1.6
105.07027	16.0
107.04935	5.8
107.08604	16.3
109.06523	5.1
109.10167	10.5
111.04412	1.1
111.08098	6.5
113.06014	1.8
117.07012	5.6
119.08580	11.8
121.06490	3.6
121.10158	11.6
123.08057	2.7
123.11707	5.1
125.05975	1.9
125.09638	3.5
129.01839	3.8
129.07010	6.9
131.08574	9.4
133.06491	3.1
133.10126	9.5
135.04433	8.3
135.08066	2.6
135.11697	5.3
137.05992	2.8
137.09634	2.0
137.13213	1.4
139.03809	1.2
139.07497	1.5
139.51672	0.9
142.07784	1.4
143.08607	1.8
145.10141	5.9
147.08052	3.2
147.11711	7.8
149.09608	3.0
149.13281	11.4
151.07536	2.2
153.05479	5.4
157.04988	1.2
157.10165	5.7
159.08060	1.2
159.11684	5.3
161.09616	2.2
163.03818	1.0
163.07553	1.4
163.11244	2.1
165.12784	1.8
167.07056	7.5
173.13226	1.6
175.11198	6.4
177.12759	2.0
181.04982	23.2
183.06436	1.0
187.11180	1.1
189.11232	1.9
191.10652	1.2
193.08524	1.1
193.12247	17.3
195.06548	18.9
195.08238	1.6
195.12144	0.9
195.13814	4.2
199.06041	32.1
203.10744	1.3
207.06549	2.2
209.08110	6.9
211.13333	20.2
221.08145	1.7
223.09663	9.8
231.10159	1.6
235.09705	2.9
237.11217	10.2
249.11237	10.3
251.12810	4.1
251.16431	1.0
263.12857	2.2
267.15912	2.6
269.17499	2.2
277.14331	1.2
291.15945	2.4
293.17465	2.3
303.01389	1.7
305.17786	1.2
307.18948	2.7
317.74164	1.1
319.19104	2.5
333.20572	1.4
341.24301	1.3
342.96481	1.1
343.22717	2.0
351.23380	1.0
359.25635	1.3
361.23520	1.7
369.24078	3.1
377.27039	1.4
387.25061	5.4
405.26089	1.2
417.26218	1.3
434.54892	1.0
443.32251	6.5
443.47324	1.0
461.32782	100.0
462.32843	3.0
479.29440	22.7
479.33926	22.8
480.29922	1.1
487.27679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88857	3.9
53.03944	9.9
55.01869	12.7
55.05514	28.8
57.03439	8.9
57.07077	6.3
59.04993	4.7
65.03942	6.0
67.05502	54.4
68.99790	4.5
69.03420	15.4
69.07076	23.7
71.04986	6.2
79.01871	4.6
79.05495	57.0
81.03430	25.7
81.07066	73.9
83.01366	5.0
83.04985	29.1
83.08627	18.0
85.02930	9.6
85.06562	9.2
91.05491	42.2
93.07048	53.9
94.07388	5.2
95.04972	28.3
95.08620	36.2
97.02880	5.4
97.06523	9.3
97.10179	18.4
98.20788	7.7
98.21485	10.8
103.05484	15.5
105.07037	69.6
106.07375	7.3
107.01214	4.2
107.04938	22.9
107.08596	32.6
109.02905	7.1
109.06519	24.0
109.10164	20.9
111.04436	8.4
111.08087	4.1
115.05425	7.9
117.07010	13.0
119.04939	11.8
119.08576	28.6
121.06508	18.1
121.10167	23.1
123.04404	4.5
123.08071	15.5
123.11713	11.2
125.02380	6.9
125.05993	6.7
125.09621	15.7
128.06216	4.7
129.06989	11.6
131.04956	14.4
131.08553	17.3
132.05733	6.1
133.06479	27.7
133.10136	18.8
135.04416	4.7
135.08060	9.1
135.11688	9.4
137.05969	22.3
137.09628	8.7
137.13280	5.4
139.03914	6.3
139.07530	6.4
141.06911	4.1
142.76683	3.6
143.08528	10.8
145.06485	6.7
145.10118	17.2
147.04445	12.5
147.11699	19.2
149.05966	12.2
149.09663	5.3
149.13228	10.2
151.07574	20.5
151.34731	3.9
152.06198	5.4
153.01863	23.1
153.02942	4.2
153.09125	7.5
154.07828	4.5
155.04889	6.4
155.08607	8.9
157.10126	11.8
159.04411	4.9
159.11697	10.2
160.08504	4.2
161.05986	41.2
161.09651	8.0
163.03857	10.9
163.07584	5.3
163.11208	8.5
165.01938	5.8
165.05658	4.3
165.07048	10.7
165.09125	12.8
165.12801	8.3
167.03484	8.1
167.07065	12.0
167.08597	14.9
171.08049	3.6
171.11639	5.7
173.13188	4.3
175.11211	8.7
175.14786	5.2
177.05504	9.5
177.06975	5.9
177.09138	4.0
177.12819	6.1
178.07834	3.9
179.07077	9.5
179.08502	5.1
179.10738	4.9
181.01308	29.9
181.06541	5.0
183.02914	5.6
183.04460	6.5
183.08040	11.9
187.03802	3.9
187.11182	4.7
189.05504	9.4
189.11162	6.5
189.12672	4.5
191.03424	10.5
191.06970	6.4
191.14354	6.9
193.01424	20.9
193.06531	7.4
193.08656	8.5
193.12213	11.5
194.12556	4.0
195.08089	15.8
195.13799	5.4
197.06004	6.6
203.10690	4.9
205.01376	4.8
205.04832	9.3
205.06540	13.9
207.02945	5.9
207.06407	5.3
207.08168	6.6
209.00793	13.4
211.02280	6.6
211.07573	15.9
211.13197	6.1
217.01236	6.2
219.02859	6.3
219.13808	6.5
221.06087	21.7
221.07915	5.7
223.02397	15.3
223.07515	17.9
229.05060	8.2
233.00974	5.6
233.05984	13.0
235.02412	16.1
235.07550	12.3
239.07024	25.5
241.08517	10.2
245.00800	10.4
249.00304	13.6
249.05470	14.6
251.07033	27.3
253.04930	6.4
253.08620	8.4
255.02852	6.6
255.06525	8.9
257.04446	30.6
263.01895	16.2
263.06772	6.9
267.06509	45.8
269.05359	4.3
269.08160	28.0
271.02396	5.7
275.15851	4.6
277.05127	7.3
279.06497	18.1
283.02332	17.0
283.05615	4.3
285.07715	8.6
291.01343	10.9
293.17661	4.9
295.06027	83.7
296.06381	3.9
297.07578	45.6
298.27231	6.5
299.09329	5.0
303.01511	7.6
303.05029	4.2
305.04514	11.4
307.06119	28.3
308.03378	5.8
309.03757	5.8
310.04855	4.5
313.07022	32.1
313.10370	6.8
315.08640	8.6
323.05521	100.0
325.07117	45.9
327.08502	8.6
329.10114	7.0
339.08817	6.1
341.06580	83.8
343.08203	10.0
351.04999	85.2
355.08194	24.2
357.09753	9.7
369.06036	75.6
369.23938	9.2
373.09262	13.2
379.04504	11.2
383.07574	36.3
386.23993	13.0
387.07153	12.7
387.24570	17.2
397.05435	16.2
401.08783	21.1
405.25769	4.4
411.07092	10.8
415.06342	5.2
425.26324	5.0
429.08231	6.0
443.27509	8.8
461.28217	28.4
478.28812	7.2
479.29980	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93662	2.1
53.03937	6.2
55.01871	5.9
55.05294	2.2
55.05514	24.5
56.85966	2.2
57.03436	13.4
57.07068	4.6
65.03947	4.2
67.05507	81.7
67.05872	5.2
69.03426	3.2
69.07068	26.7
71.04990	8.0
71.24829	5.9
72.02982	2.0
72.99510	2.0
79.05057	4.0
79.05498	68.7
81.02975	4.1
81.03417	46.1
81.07056	100.0
83.04974	18.0
83.08618	31.4
85.02905	22.9
85.06544	5.5
91.05485	54.3
93.07041	73.7
93.07623	4.3
95.04971	28.5
95.08606	23.5
97.02875	2.8
97.06522	11.0
97.10158	4.4
98.21190	3.2
99.08079	2.7
105.07032	32.9
107.04949	8.6
107.08597	34.8
109.06516	6.8
109.10138	8.0
111.08060	14.8
113.06007	2.2
115.05454	2.9
117.07024	9.8
119.08596	21.0
121.06519	4.9
121.10152	25.1
123.08022	2.7
123.11734	3.6
125.09628	3.9
129.07011	11.9
131.08580	20.0
133.06458	3.2
133.10138	22.9
135.08066	3.3
135.11673	11.4
137.05962	2.4
143.08565	3.9
144.76944	2.0
145.10120	5.5
147.08047	3.0
147.11691	18.3
149.09595	7.2
149.13278	26.2
157.10101	14.2
159.11707	14.4
161.09639	2.0
165.12766	3.3
166.75223	2.5
167.07050	7.9
175.11200	14.1
177.12735	7.4
181.04971	2.5
189.11247	2.0
193.12242	48.4
195.13866	12.9
197.04456	4.2
199.06108	2.5
211.13293	51.6
229.12338	2.1
233.15619	2.7
267.15851	6.2
269.17410	5.7
303.01529	2.6
369.23746	3.8
387.24969	4.2
393.40121	2.0
436.20761	2.3
461.28351	11.9
479.29892	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
55.01853	4.3
55.05513	31.2
57.03440	11.0
57.07055	5.3
64.01604	1.8
65.03925	5.9
67.05508	80.8
67.07178	2.0
69.03415	5.4
69.07075	26.6
70.51099	4.5
71.05015	11.0
72.62943	1.8
79.05498	62.9
81.02996	3.3
81.03422	46.7
81.07063	100.0
83.01341	2.3
83.04979	15.7
83.08616	32.1
85.02916	26.6
85.06522	6.1
91.05482	49.0
93.06490	3.3
93.07050	64.1
95.04977	40.5
95.08616	30.1
97.06556	12.4
97.10139	6.4
98.21102	4.2
99.08025	3.1
105.04483	3.0
105.07047	27.4
107.04950	7.0
107.08598	40.7
109.06544	9.5
109.10139	8.6
111.04412	3.5
111.08112	14.3
113.06027	2.3
115.05460	2.7
117.07007	10.9
119.08592	20.5
121.06499	3.9
121.10143	22.4
123.08057	3.2
123.11681	4.7
129.07040	10.1
131.08595	21.1
133.06447	2.9
133.10138	18.9
135.04424	2.1
135.08055	3.3
135.11662	6.4
142.07729	2.8
145.10086	4.1
147.08032	3.4
147.11679	16.8
149.09547	5.5
149.13271	29.7
151.11140	2.0
157.10123	14.1
159.11720	12.6
165.12677	2.7
175.11172	13.5
177.12692	6.2
181.04898	7.6
193.12247	51.8
195.06483	3.0
195.13826	10.0
199.05983	6.9
209.08151	2.3
211.11317	3.0
211.13290	56.8
213.78798	1.9
237.11223	2.9
239.33247	2.0
263.12939	2.1
267.15912	5.3
269.17322	7.9
312.02911	2.1
316.30545	2.0
343.22534	3.0
369.24124	6.1
387.24884	4.4
443.31827	4.2
461.28284	7.0
461.32858	6.2
479.29727	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	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
61.02934	5.9
69.03436	1.3
70.12775	1.1
70.13139	2.0
71.05006	1.1
72.40791	0.7
73.02911	1.9
75.26390	0.5
81.03415	1.3
81.07025	0.6
81.88013	0.5
85.02915	5.5
89.93784	0.5
91.03963	2.7
92.02634	1.2
93.03402	1.0
93.07075	0.8
97.02898	3.7
97.42522	0.5
98.20985	0.7
103.34811	0.5
104.68286	0.5
105.07076	1.0
109.02911	0.7
121.02871	0.6
127.03906	1.1
137.05972	1.2
139.03931	0.8
145.05069	0.7
147.04430	1.1
151.04027	0.6
151.07503	0.7
153.01833	8.9
161.05986	0.6
165.01822	0.7
178.05008	4.7
201.05566	0.5
217.05072	0.9
228.04251	1.3
229.04889	3.1
245.04468	1.5
246.05301	1.7
257.04498	2.3
273.03943	1.9
274.04761	3.9
285.03885	5.1
302.04245	16.1
317.06573	100.0
318.06985	1.3
333.06146	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	479.1186
Annotation	Tamarixetin 3-galactoside
Peak:m/z	Relative Intensity
55.01872	0.5
55.05499	0.8
57.03426	1.3
61.02935	6.5
65.03941	0.5
66.74424	0.6
67.05510	1.2
69.03441	3.1
69.07065	0.9
70.83162	1.3
71.03216	0.5
73.02911	2.3
75.04476	1.6
79.05479	1.9
81.03416	1.6
81.07056	1.6
83.04988	1.0
85.02900	5.8
91.03958	3.0
91.05485	1.3
93.07044	3.5
94.07364	1.0
95.04970	1.8
95.08604	1.1
97.02893	3.9
98.80032	0.5
99.04441	0.8
100.01246	0.5
105.07044	1.5
107.08604	1.0
109.02877	1.3
109.10152	1.4
111.04392	0.7
119.04956	0.5
119.08591	1.4
121.02853	0.7
121.06515	0.7
121.10137	4.0
122.10505	1.6
123.04431	1.4
123.08081	1.0
123.11725	0.7
125.09597	0.7
127.03917	1.8
131.08586	0.6
133.10153	0.6
135.04439	0.7
137.02350	3.4
137.05984	2.1
141.29459	0.5
145.04985	0.8
145.06505	0.5
145.10095	0.7
146.07112	0.5
149.09604	2.7
150.09964	1.1
151.03891	1.4
153.01845	1.5
161.09705	1.2
163.03932	0.5
163.11209	0.8
167.03403	4.0
167.10680	0.8
177.05476	0.7
179.03395	3.4
205.05038	0.9
215.07080	2.1
233.08177	1.0
243.06482	4.1
246.17108	0.5
261.07718	0.6
271.06049	1.8
288.06433	0.6
299.05469	1.1
302.04163	2.0
312.15131	1.2
317.06567	100.0
318.03577	1.9
318.06998	2.0
333.06021	7.7
479.11435	1.3
479.17438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88857	3.9
53.03944	9.9
55.01869	12.7
55.05514	28.8
57.03439	8.9
57.07077	6.3
59.04993	4.7
65.03942	6.0
67.05502	54.4
68.99790	4.5
69.03420	15.4
69.07076	23.7
71.04986	6.2
79.01871	4.6
79.05495	57.0
81.03430	25.7
81.07066	73.9
83.01366	5.0
83.04985	29.1
83.08627	18.0
85.02930	9.6
85.06562	9.2
91.05491	42.2
93.07048	53.9
94.07388	5.2
95.04972	28.3
95.08620	36.2
97.02880	5.4
97.06523	9.3
97.10179	18.4
98.20788	7.7
98.21485	10.8
103.05484	15.5
105.07037	69.6
106.07375	7.3
107.01214	4.2
107.04938	22.9
107.08596	32.6
109.02905	7.1
109.06519	24.0
109.10164	20.9
111.04436	8.4
111.08087	4.1
115.05425	7.9
117.07010	13.0
119.04939	11.8
119.08576	28.6
121.06508	18.1
121.10167	23.1
123.04404	4.5
123.08071	15.5
123.11713	11.2
125.02380	6.9
125.05993	6.7
125.09621	15.7
128.06216	4.7
129.06989	11.6
131.04956	14.4
131.08553	17.3
132.05733	6.1
133.06479	27.7
133.10136	18.8
135.04416	4.7
135.08060	9.1
135.11688	9.4
137.05969	22.3
137.09628	8.7
137.13280	5.4
139.03914	6.3
139.07530	6.4
141.06911	4.1
142.76683	3.6
143.08528	10.8
145.06485	6.7
145.10118	17.2
147.04445	12.5
147.11699	19.2
149.05966	12.2
149.09663	5.3
149.13228	10.2
151.07574	20.5
151.34731	3.9
152.06198	5.4
153.01863	23.1
153.02942	4.2
153.09125	7.5
154.07828	4.5
155.04889	6.4
155.08607	8.9
157.10126	11.8
159.04411	4.9
159.11697	10.2
160.08504	4.2
161.05986	41.2
161.09651	8.0
163.03857	10.9
163.07584	5.3
163.11208	8.5
165.01938	5.8
165.05658	4.3
165.07048	10.7
165.09125	12.8
165.12801	8.3
167.03484	8.1
167.07065	12.0
167.08597	14.9
171.08049	3.6
171.11639	5.7
173.13188	4.3
175.11211	8.7
175.14786	5.2
177.05504	9.5
177.06975	5.9
177.09138	4.0
177.12819	6.1
178.07834	3.9
179.07077	9.5
179.08502	5.1
179.10738	4.9
181.01308	29.9
181.06541	5.0
183.02914	5.6
183.04460	6.5
183.08040	11.9
187.03802	3.9
187.11182	4.7
189.05504	9.4
189.11162	6.5
189.12672	4.5
191.03424	10.5
191.06970	6.4
191.14354	6.9
193.01424	20.9
193.06531	7.4
193.08656	8.5
193.12213	11.5
194.12556	4.0
195.08089	15.8
195.13799	5.4
197.06004	6.6
203.10690	4.9
205.01376	4.8
205.04832	9.3
205.06540	13.9
207.02945	5.9
207.06407	5.3
207.08168	6.6
209.00793	13.4
211.02280	6.6
211.07573	15.9
211.13197	6.1
217.01236	6.2
219.02859	6.3
219.13808	6.5
221.06087	21.7
221.07915	5.7
223.02397	15.3
223.07515	17.9
229.05060	8.2
233.00974	5.6
233.05984	13.0
235.02412	16.1
235.07550	12.3
239.07024	25.5
241.08517	10.2
245.00800	10.4
249.00304	13.6
249.05470	14.6
251.07033	27.3
253.04930	6.4
253.08620	8.4
255.02852	6.6
255.06525	8.9
257.04446	30.6
263.01895	16.2
263.06772	6.9
267.06509	45.8
269.05359	4.3
269.08160	28.0
271.02396	5.7
275.15851	4.6
277.05127	7.3
279.06497	18.1
283.02332	17.0
283.05615	4.3
285.07715	8.6
291.01343	10.9
293.17661	4.9
295.06027	83.7
296.06381	3.9
297.07578	45.6
298.27231	6.5
299.09329	5.0
303.01511	7.6
303.05029	4.2
305.04514	11.4
307.06119	28.3
308.03378	5.8
309.03757	5.8
310.04855	4.5
313.07022	32.1
313.10370	6.8
315.08640	8.6
323.05521	100.0
325.07117	45.9
327.08502	8.6
329.10114	7.0
339.08817	6.1
341.06580	83.8
343.08203	10.0
351.04999	85.2
355.08194	24.2
357.09753	9.7
369.06036	75.6
369.23938	9.2
373.09262	13.2
379.04504	11.2
383.07574	36.3
386.23993	13.0
387.07153	12.7
387.24570	17.2
397.05435	16.2
401.08783	21.1
405.25769	4.4
411.07092	10.8
415.06342	5.2
425.26324	5.0
429.08231	6.0
443.27509	8.8
461.28217	28.4
478.28812	7.2
479.29980	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51903	0.2
58.52210	0.2
67.00382	0.2
69.03427	0.2
69.04090	0.1
69.66377	0.4
69.66806	0.8
71.01367	1.0
73.02927	0.9
85.01272	0.2
85.02911	2.4
87.16822	0.2
95.01307	0.3
97.02931	0.2
98.20834	0.4
98.21447	0.4
98.37035	0.2
101.02390	0.4
102.84251	0.2
103.03963	0.4
109.02811	0.2
113.02370	1.1
113.03526	0.3
122.13037	0.2
123.39420	0.2
131.03403	0.6
141.01854	0.5
143.09590	0.2
145.02797	0.4
147.04442	0.5
151.04028	0.3
153.01793	0.2
157.02855	0.3
159.02879	0.5
163.03944	0.2
173.02332	1.3
175.03951	0.5
185.02393	0.3
191.03406	0.9
201.01822	3.4
203.03421	0.7
207.02972	0.3
213.01782	0.8
216.79730	0.2
217.01337	0.8
219.00960	0.2
219.02908	0.7
223.04823	0.2
226.06302	0.2
229.01320	4.0
229.11861	0.3
231.02850	1.3
241.01321	0.9
247.02376	3.8
257.00818	11.6
259.02417	1.8
275.01865	10.2
275.04959	0.2
285.00314	9.6
286.00897	0.5
302.04211	0.5
303.01349	100.0
304.01657	1.4
317.06506	0.7
479.04623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0823
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
53.03905	0.2
55.01863	0.4
57.03426	0.9
59.13386	0.2
63.94869	0.2
65.03932	0.2
67.01846	0.5
67.05499	0.6
68.99781	1.0
69.03422	0.9
69.07052	0.3
70.06600	0.3
71.01360	1.7
71.04984	0.3
71.56712	0.5
73.02918	4.0
74.67516	0.3
79.01832	0.3
79.05482	0.4
80.04631	0.2
81.03408	0.8
81.07034	0.7
83.04962	0.2
83.08609	0.3
85.02905	9.3
85.06521	0.3
91.05471	0.5
93.07014	0.5
95.01327	1.4
95.04967	0.6
95.08598	0.7
97.02888	1.1
99.00832	0.5
99.04486	0.3
101.02370	0.6
103.03949	0.7
105.07024	0.9
106.93867	0.2
107.04957	0.4
107.08557	0.9
109.02870	1.2
111.00794	0.9
113.02374	3.4
113.03470	0.4
119.08531	0.6
121.02859	1.4
121.10120	0.4
123.04381	0.3
127.03903	1.2
131.03427	2.9
131.04939	0.5
133.10118	0.3
137.02335	3.7
137.05971	0.9
140.18771	0.3
141.01805	1.8
145.06467	0.6
147.04430	0.5
149.02319	0.4
149.09576	0.3
151.83907	0.3
153.01836	6.3
155.04932	0.4
159.02942	1.5
161.05986	0.6
163.03917	1.0
165.01831	2.4
165.05574	0.3
166.02602	0.3
166.05009	0.4
167.07045	0.5
173.05995	0.5
177.05492	0.3
181.05000	0.4
183.02878	0.7
183.04366	0.4
187.03955	0.5
191.06937	0.3
195.02875	0.5
197.03889	0.4
197.12932	0.4
201.05467	1.7
219.06494	0.6
228.04138	0.2
229.04976	5.0
247.06061	0.6
257.04514	3.1
274.04706	0.9
285.00500	0.3
285.03845	1.4
302.04031	0.5
303.04990	100.0
304.05304	2.3
317.03003	0.6
317.06592	1.2
319.04425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05494	1.9
57.03430	1.3
57.33480	0.9
59.44482	1.0
61.02903	1.4
65.03930	1.3
67.05475	1.2
69.03432	12.6
70.69792	1.4
70.70131	2.0
71.04978	1.9
72.47816	0.9
75.04466	2.1
79.05500	14.9
81.03411	11.7
81.07043	3.4
83.04953	1.5
85.02890	5.8
87.04479	1.7
91.05480	13.8
93.07044	69.1
95.04948	3.3
95.08595	2.3
97.02884	7.7
99.04420	2.9
102.04704	0.9
103.05450	1.5
105.07034	12.5
107.08609	10.3
109.02867	6.3
111.04439	1.5
111.08050	2.4
119.08591	18.5
121.06483	3.7
121.10145	100.0
122.10481	1.0
123.08019	2.3
127.03919	5.3
129.05510	2.3
131.08585	9.8
133.07602	1.1
133.10092	1.1
139.11215	3.0
145.04964	2.9
149.09621	61.8
165.43539	1.0
167.03369	1.6
167.10684	15.8
178.05006	1.3
293.13815	11.8
311.14874	19.7
312.09756	1.1
317.06534	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.01850	1.9
55.05515	14.6
57.03447	4.4
62.06090	34.7
65.03951	2.0
67.05508	34.6
69.07072	18.2
69.79796	10.2
75.06914	1.6
79.05486	11.9
81.07061	33.9
82.07390	2.0
83.04956	2.3
83.08643	9.2
83.09049	1.8
84.08987	1.9
91.05488	9.0
93.07042	13.4
95.05011	1.9
95.08605	23.7
97.06537	2.6
97.10164	5.2
98.06042	2.1
98.20799	2.4
98.21353	3.2
98.98470	10.9
99.07180	1.7
105.07056	4.9
107.08614	8.0
109.10171	7.6
109.56151	1.5
111.08074	2.5
119.08572	4.6
121.10154	7.5
123.11708	5.4
124.01608	2.2
131.08536	2.8
133.10149	4.8
135.11693	3.7
137.60992	1.7
149.13246	2.0
155.01077	4.8
163.14774	1.9
173.02081	3.9
175.14897	2.3
216.06410	3.6
245.22688	3.4
263.23795	6.6
306.27917	19.0
337.27383	100.0
347.20020	1.8
460.27966	4.8
478.29041	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	477.3576
Annotation	Oogoniol
Peak:m/z	Relative Intensity
52.37397	1.8
53.03940	3.6
55.01867	3.5
55.05518	29.2
57.03419	2.1
57.07071	6.8
59.04998	2.5
65.03934	3.4
67.05510	47.7
67.64013	1.6
68.88078	1.7
69.03422	3.5
69.07071	53.8
69.53683	3.3
69.54098	9.5
72.89356	1.6
73.06606	1.7
79.05494	24.8
81.03429	4.1
81.07063	100.0
83.04977	4.8
83.08633	20.1
85.06565	2.7
91.05481	18.4
93.07050	31.0
93.68063	1.8
95.04981	9.5
95.08612	85.7
97.06499	4.7
97.10168	15.3
98.03468	1.8
98.21001	7.0
105.07035	15.3
107.04993	2.9
107.08598	26.3
109.06504	10.1
109.09451	3.7
109.10162	53.8
111.08091	4.9
111.11707	5.0
114.58916	1.6
117.06995	4.2
119.08600	13.6
121.06513	8.1
121.10146	21.5
123.08076	8.4
123.11717	23.8
125.06020	10.5
125.09669	2.5
131.08577	9.9
133.06493	3.6
133.10150	10.1
135.08057	5.2
135.11668	14.2
137.05989	28.1
137.13251	14.0
139.07552	51.4
145.10143	6.4
147.11696	6.8
149.05991	6.5
149.09631	11.1
149.13293	8.7
151.07564	25.2
151.11240	2.6
151.14836	7.1
153.09102	4.1
155.07057	2.6
157.10153	4.7
159.08087	2.9
159.11708	7.2
161.09613	3.8
161.13248	4.9
163.07515	4.1
163.11139	3.8
163.14851	5.1
165.05493	16.9
165.09138	13.1
167.07063	22.1
169.10123	1.9
171.11673	2.7
173.09639	5.5
173.13277	2.9
175.07573	3.4
175.11185	4.2
175.14833	2.2
177.09116	90.4
177.12714	3.7
177.16367	3.4
178.09424	2.0
179.07050	11.4
179.10562	2.2
181.08598	6.2
187.11148	4.7
187.14880	2.5
189.12779	4.2
191.10683	6.3
191.17992	2.2
193.08614	16.4
193.12291	5.6
195.03867	1.9
195.10194	4.3
197.08076	2.3
201.12675	2.8
203.10663	5.4
203.14468	2.2
205.12285	17.0
205.19504	2.1
207.13759	3.6
209.11713	2.3
214.49503	1.9
215.14474	1.9
219.13762	2.8
219.21066	2.2
221.11714	2.3
229.12300	3.2
231.13800	2.3
235.13304	4.8
237.11163	9.6
247.13419	2.4
247.17024	3.3
247.24274	1.9
249.14806	2.0
249.18480	2.1
261.25882	5.4
285.25665	3.5
291.19540	2.5
294.57632	1.9
303.26773	5.8
305.21042	3.4
317.21075	2.6
321.28021	3.3
331.22897	2.2
337.27405	2.8
345.24268	2.7
359.26001	2.3
371.26083	2.7
395.33130	6.8
399.32535	9.7
405.31921	2.1
413.33853	10.5
417.33615	5.0
423.32660	10.2
431.35162	4.9
441.33786	41.4
459.28427	3.3
459.34689	60.7
477.28397	3.1
477.35767	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.70963	0.5
53.03936	1.0
55.05263	0.7
55.05513	13.0
55.16388	0.5
57.03440	7.6
57.07066	1.5
65.03925	1.2
67.05508	26.1
69.07071	15.8
69.46624	1.7
69.47052	2.5
71.05004	0.7
71.08637	1.0
79.05496	8.7
81.07061	27.7
83.04958	0.6
83.08626	7.6
85.06551	1.0
91.05484	5.6
93.07053	8.6
95.04955	1.4
95.08611	19.8
97.06507	1.5
97.10176	3.9
98.21056	2.5
105.07031	4.1
107.08583	3.6
107.16264	0.5
109.06508	1.1
109.10161	7.4
111.08072	1.3
111.11752	0.7
119.08580	3.0
121.10155	3.2
123.11706	2.9
131.08557	0.7
133.10135	2.4
135.11719	2.0
137.13280	1.3
147.11678	1.8
149.13248	1.2
160.42200	0.6
161.13263	1.4
163.14891	0.6
175.14853	0.9
177.16576	0.7
245.22659	0.7
263.23563	0.8
306.27985	3.3
337.27377	100.0
338.27686	3.1
407.99756	0.7
411.60272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
53.49076	0.3
55.01877	0.4
55.05501	0.7
55.98875	0.3
57.03438	0.6
69.03423	2.8
69.64017	1.0
69.64447	1.2
70.06583	0.4
71.04967	0.5
79.01864	1.7
81.03423	12.5
83.04990	0.4
85.02910	3.1
88.03999	0.4
97.02902	5.3
98.21025	1.1
99.04446	1.0
107.01331	1.0
109.02876	6.5
111.04492	0.5
125.02321	2.7
127.03922	8.5
143.03430	3.3
145.04951	1.4
147.04387	0.4
153.01831	100.0
154.02148	1.1
154.41432	0.3
156.34488	0.3
161.05966	0.4
171.02887	15.7
257.00934	0.4
275.01962	0.4
297.06064	12.9
297.09430	0.8
297.86435	0.3
303.01395	2.7
315.07083	27.8
316.07224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40557	1.1
55.05507	6.8
55.70520	1.2
56.17930	1.2
57.03417	1.4
57.07082	42.7
65.88106	1.3
66.68036	1.3
67.05511	10.7
69.07074	12.3
69.75642	8.4
70.40443	1.3
71.04989	1.9
71.08624	1.8
71.09012	1.3
71.79551	1.3
72.17125	1.3
77.21210	2.0
79.05495	5.7
81.07059	19.0
83.01351	9.1
83.08625	4.6
85.02914	4.3
85.06557	27.2
87.28454	1.3
91.05488	3.3
93.07039	5.1
95.04932	2.4
95.08624	20.5
97.06524	2.7
97.10152	4.0
98.20879	3.2
98.21432	1.5
105.07030	5.6
107.08600	8.7
109.06514	5.0
109.10167	12.4
116.19447	1.3
119.08598	4.1
121.06499	1.6
121.10138	5.8
123.05956	1.5
123.08099	6.8
123.11725	9.2
125.05998	5.3
129.52449	1.5
133.10143	4.8
135.08061	2.4
135.11720	4.7
137.05986	11.2
137.09641	1.5
137.13234	2.5
139.07518	6.7
145.10229	2.2
147.11722	3.2
149.09660	1.8
149.13200	2.4
151.07529	7.1
151.11092	2.2
157.10143	2.3
161.09691	2.3
161.13264	3.2
163.11218	2.4
163.14804	2.7
165.09174	2.7
165.16347	1.3
167.07047	3.2
171.11739	1.9
179.10718	5.2
181.08665	5.8
181.12189	2.1
189.45892	1.4
191.10609	1.7
193.12318	2.1
195.13898	2.4
197.08105	2.3
207.10164	3.8
207.13870	3.7
209.11745	3.6
221.15524	1.6
250.40218	1.4
315.88971	1.5
319.90283	1.7
333.27798	3.5
342.45230	1.4
361.27365	5.3
393.30191	7.2
399.32617	4.0
417.33701	18.3
427.31973	3.6
445.33139	20.7
446.33548	2.3
477.23276	3.8
477.35800	100.0
478.36301	4.3
487.06805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01855	1.5
55.05521	12.1
57.03434	2.0
57.07071	4.8
58.51616	1.1
59.04995	2.8
67.05505	17.7
69.03436	3.2
69.07069	14.7
71.04998	3.0
71.57652	1.6
79.05509	13.7
81.03415	1.5
81.07061	30.0
83.01319	1.4
83.04983	4.2
83.08620	6.8
84.32699	1.4
85.02934	1.5
85.06544	1.7
91.05483	12.8
93.07048	20.3
95.04985	3.2
95.08620	21.7
97.10180	5.7
105.07050	8.5
107.04958	2.3
107.08596	11.0
109.06519	2.4
109.10153	15.8
111.08096	3.1
115.05378	1.5
117.07019	2.6
119.08582	7.6
121.06510	2.5
121.10180	8.2
123.08024	2.3
123.11724	5.1
125.05958	2.1
125.09666	3.1
131.08563	4.7
133.06491	1.8
133.10133	7.2
135.08069	1.8
135.11690	5.1
137.05952	2.2
137.13225	3.2
139.07538	2.8
145.10146	6.0
147.11710	5.6
149.05945	3.9
149.09688	2.7
149.13264	6.5
151.07539	6.5
153.05450	3.4
155.07048	2.3
159.11693	3.5
161.05968	1.9
161.09610	2.0
161.13242	1.9
163.11177	2.4
163.14844	1.8
165.09154	3.0
167.07051	100.0
168.07393	2.4
173.09604	1.9
175.07587	5.0
177.05420	3.6
177.09161	2.7
179.06998	3.3
181.04956	6.5
185.09755	1.5
189.09099	4.6
189.16367	1.5
191.07016	2.5
191.10754	1.7
193.08597	2.3
201.09128	5.1
201.71677	1.2
203.10684	4.2
203.18007	2.8
205.08617	10.3
207.10164	4.4
215.10728	2.2
215.18068	1.4
216.50816	1.3
219.10310	2.2
235.13437	1.5
239.84528	1.3
249.11203	1.4
249.49567	1.5
253.01170	1.3
255.14032	1.4
298.84973	1.3
317.17529	1.5
359.25931	2.0
369.24240	3.8
385.23608	1.4
387.25330	35.1
388.25317	1.7
419.28030	3.1
459.30875	4.2
477.15091	1.3
477.28391	4.5
477.35599	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	477.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21369	1.1
55.05296	1.4
55.05513	14.0
57.03434	2.2
57.07078	100.0
67.05504	13.2
69.03413	2.4
69.06720	1.7
69.07072	22.3
71.04982	2.6
71.08621	3.9
71.57760	1.5
79.05495	13.7
81.07058	35.6
83.01343	8.6
83.04994	1.8
83.08617	11.7
85.02882	1.4
85.06545	53.1
85.10168	2.6
91.05482	9.0
93.07048	12.4
95.04968	2.9
95.08612	33.8
97.10171	7.8
105.07038	12.3
107.04965	1.8
107.08607	13.6
109.06535	2.9
109.10167	20.5
111.04468	1.8
111.08069	1.6
111.11745	2.4
115.05489	1.5
117.07014	5.1
119.04948	1.9
119.08585	10.8
121.06501	5.7
121.10130	7.1
123.04376	1.6
123.08054	2.8
123.11729	13.0
125.02406	1.4
125.05999	2.2
125.09615	1.7
127.11169	1.6
128.06218	2.7
129.07074	3.0
131.08572	7.1
133.06477	3.1
133.09299	1.1
133.10141	9.2
135.04387	2.5
135.08073	5.2
135.11673	5.4
137.05977	3.4
137.09587	1.9
137.13271	6.1
142.07803	1.5
143.08563	3.4
143.98795	1.2
145.10101	5.9
147.08005	6.7
147.11731	6.6
149.05977	3.1
149.09599	4.9
149.13242	2.8
149.62709	1.2
151.07527	3.8
151.14833	1.7
153.05417	2.4
154.88715	1.2
155.03358	2.5
155.14294	1.6
157.10123	4.9
159.08051	2.5
159.11676	4.5
161.05998	3.2
161.09618	6.1
161.13206	2.2
163.03838	2.3
163.07536	5.5
163.11166	4.3
163.14832	3.0
165.01866	2.2
165.05447	1.6
165.09120	2.1
167.07021	1.9
171.08035	2.2
171.11728	2.1
173.09650	3.1
173.13264	3.0
174.06786	2.5
175.07620	7.2
175.11128	4.4
177.05511	2.9
177.09122	7.1
177.12616	2.1
177.16350	1.6
179.06999	3.2
179.10660	1.7
181.04927	9.3
183.02872	2.9
185.04437	1.3
185.13234	2.6
187.11182	2.5
187.14844	2.7
189.05499	2.7
189.09091	7.2
189.12799	1.9
189.16345	1.7
191.10674	5.9
191.17812	1.5
193.08586	2.8
195.06500	2.0
197.13235	1.1
199.11142	2.9
199.14833	1.6
201.09142	1.9
203.07077	2.8
203.10736	5.7
203.14421	1.5
205.08699	1.7
205.12357	3.0
207.10112	1.5
215.10522	1.5
217.08627	2.1
217.12250	2.5
219.13765	2.0
221.08087	1.9
229.15916	1.4
231.10144	2.6
231.13736	2.9
235.09666	1.5
243.13809	2.2
245.15419	2.6
245.22614	1.6
253.10724	1.8
259.16904	1.7
267.12265	1.6
273.14908	2.0
273.18610	1.4
277.18100	1.4
281.13925	1.6
295.15387	3.4
309.16968	4.6
323.18274	6.0
329.24704	3.7
331.26297	4.1
337.20087	4.8
339.17899	2.9
351.21835	1.6
357.24210	4.6
375.21152	1.4
375.25189	3.7
387.32590	2.5
393.26358	41.7
395.29303	1.3
397.30872	3.6
403.24692	6.8
412.62973	1.3
413.30420	3.5
415.32132	9.0
431.32004	1.4
435.31097	2.8
441.29901	7.4
459.31061	13.5
477.32062	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01874	4.0
55.05508	32.0
57.07069	7.5
59.05006	3.5
67.05506	55.4
68.36659	2.0
69.07069	46.7
70.12524	5.4
70.12922	4.0
70.76480	2.2
71.05031	2.0
79.05494	30.2
81.03424	5.5
81.06576	5.3
81.07057	100.0
82.84702	2.1
83.04984	6.5
83.08620	19.5
85.06545	5.2
91.05495	20.1
93.07043	39.3
95.04975	8.7
95.08607	80.4
97.06540	5.3
97.10184	11.3
98.20952	4.5
101.06355	2.2
105.07020	17.9
107.04933	5.0
107.08594	27.9
109.06523	13.6
109.10156	50.4
111.08070	7.3
111.11694	6.5
117.07014	4.4
119.08569	14.3
121.06513	11.1
121.10140	18.4
123.04465	3.6
123.08080	10.2
123.11696	20.8
125.06020	6.8
125.09605	5.0
128.84653	2.5
129.07040	4.2
131.08557	11.7
133.06485	2.6
133.10107	11.3
135.08041	7.8
135.11667	10.9
137.05986	27.5
137.09593	4.4
137.13292	11.1
139.07550	51.1
143.08554	3.5
145.10114	5.6
147.11723	6.1
149.06029	5.3
149.09641	10.7
149.13232	12.5
151.07550	24.9
151.14828	4.5
153.09094	4.2
155.06996	2.4
157.10178	2.2
159.08032	2.9
159.11655	10.5
161.09607	7.1
161.13295	7.0
163.07449	2.8
163.11211	5.4
163.14859	3.9
165.05479	18.4
165.09122	8.4
167.07062	23.8
171.11774	3.7
173.09589	4.8
173.13364	2.7
175.07584	3.8
175.11208	6.2
175.14821	2.6
175.21442	2.4
177.09113	70.5
177.12735	4.2
179.07063	9.7
179.10748	2.5
181.08621	6.0
182.81538	2.1
187.11205	4.2
187.19884	2.3
189.09113	3.5
189.12805	3.2
191.10777	4.2
191.14276	2.5
193.07123	2.7
193.08553	13.7
193.12234	6.3
195.13744	2.8
197.13297	2.4
203.10568	3.0
205.12251	16.8
205.19501	2.4
207.10144	3.3
207.21133	3.9
215.10582	2.4
215.14296	4.0
217.12248	3.1
219.13795	7.1
229.12094	2.8
231.13887	2.4
233.15358	4.7
235.13257	4.5
237.11246	7.3
255.17403	2.6
261.25882	4.1
285.25583	4.6
298.17593	2.5
303.19507	3.1
303.26874	4.7
304.49918	2.3
305.21136	3.3
317.25174	2.6
321.27850	2.8
337.27405	6.4
357.23645	2.3
359.25696	3.3
367.22684	2.8
381.31479	3.8
385.23483	3.6
395.33072	6.4
399.32458	7.8
413.34070	9.9
415.11234	2.6
417.33371	4.6
423.32590	10.3
431.35242	4.4
441.33911	33.7
459.28238	4.1
459.34717	46.0
477.28638	14.6
477.35938	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	477.3209
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
50.64232	1.0
53.03946	6.2
55.01874	5.6
55.05513	21.1
57.03434	4.1
57.07072	3.6
65.03940	1.9
66.24467	1.1
67.05503	38.0
69.03436	6.0
69.07066	13.3
69.25023	9.7
69.25436	2.2
71.04997	1.8
78.27085	1.1
79.05490	24.3
81.03425	6.7
81.07062	37.3
83.01340	8.4
83.04990	8.2
83.08627	11.8
85.02901	3.0
85.06537	6.8
91.05473	18.1
93.07044	28.7
95.04972	7.9
95.08610	16.1
97.02898	3.0
97.06520	5.5
97.10165	6.2
98.21124	6.0
99.08073	1.9
105.07040	8.8
107.04949	6.6
107.08596	17.6
109.06511	4.5
109.10159	8.3
111.04437	2.1
111.08086	4.6
115.05511	1.2
117.06997	6.2
119.04967	1.4
119.08559	6.4
121.06533	2.4
121.10159	9.3
123.08074	4.3
123.11693	3.7
125.09623	8.1
128.06268	1.9
129.01849	2.4
129.06989	3.2
131.08536	8.2
133.06482	3.3
133.10130	5.5
135.04428	6.0
135.08060	2.2
135.11696	9.3
137.05975	6.4
137.09576	1.4
139.07562	1.1
139.11176	1.4
143.08556	2.5
145.06487	2.8
145.10152	6.2
147.02614	1.1
147.08044	2.8
147.11697	2.0
149.06096	1.4
149.13246	8.6
151.07547	3.0
151.11148	1.7
153.05472	2.5
153.09058	1.8
153.12788	2.3
155.07030	4.0
155.08432	1.2
157.10110	2.5
158.63493	1.0
158.97061	1.0
159.11714	4.8
163.11166	7.2
165.09193	1.6
167.07018	5.6
173.09602	1.9
173.13266	1.2
177.12662	2.4
179.10619	2.3
181.04924	15.5
181.12341	1.5
185.13196	1.1
187.11220	1.3
189.11244	1.4
191.10709	2.6
193.12233	3.8
195.06540	11.8
195.13806	3.8
199.06024	22.1
205.12207	1.7
207.06584	2.0
209.08115	3.8
209.11737	4.9
223.09642	5.1
227.12733	3.4
233.15393	2.2
235.09651	1.5
237.11092	5.5
245.05003	1.1
249.11235	4.8
251.12726	2.1
263.12808	1.2
273.14911	2.3
291.15948	2.4
293.17404	2.0
317.24792	1.5
331.26175	1.8
349.21680	2.2
361.23749	2.6
367.22687	6.4
375.25388	2.2
385.23853	10.5
403.24554	5.9
415.32074	10.7
459.31186	100.0
460.31369	3.7
477.28296	29.0
478.28922	1.5
495.00308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.7
55.01870	12.1
55.05515	64.9
56.39424	3.2
57.03440	16.2
59.45741	3.2
65.03939	7.3
67.05506	57.7
69.03421	8.3
69.07059	22.0
77.21288	3.1
79.05495	80.0
81.03418	54.8
81.07063	47.1
83.04977	15.9
83.08620	34.9
85.02900	5.7
91.05485	44.8
93.07054	30.6
95.04980	32.3
95.08628	22.2
97.06542	5.4
97.10166	47.1
98.21346	16.0
105.07032	44.8
107.04960	42.4
107.08600	36.9
109.06520	14.6
109.10174	17.9
111.08061	7.4
112.93910	3.2
115.05489	7.1
117.07021	16.6
119.04899	6.0
119.08580	23.0
121.06506	36.3
121.10150	9.8
123.08068	9.5
125.09640	40.9
128.06233	6.3
129.07042	16.4
131.04930	4.1
131.08592	23.3
133.06517	10.0
133.10146	10.7
135.08058	9.9
141.06963	6.0
143.08574	10.5
143.10710	4.0
145.06491	20.3
145.10143	12.5
147.08063	15.5
147.11703	14.1
149.05963	5.8
149.09662	12.4
149.13245	5.2
153.09126	8.3
155.08559	8.5
157.06517	6.7
157.10152	10.9
159.08078	8.9
163.11150	6.9
165.12816	4.2
169.10210	6.6
171.11639	9.0
175.11261	13.3
183.11778	5.1
185.28932	4.1
189.11244	19.2
189.12756	6.3
193.12250	23.1
195.11707	5.9
199.11198	6.5
209.13251	4.4
211.13287	5.6
213.12819	3.8
215.14444	5.1
217.12296	4.0
227.12740	16.1
231.13899	5.1
233.15346	18.9
237.12852	5.0
241.14337	5.1
243.13799	3.8
245.15372	8.2
255.13809	6.9
267.15930	19.9
273.14923	14.8
289.18036	5.2
314.04095	3.7
339.23032	8.3
341.21024	6.4
349.21594	13.5
357.24353	15.2
357.81216	3.6
367.22696	45.8
377.07309	3.6
385.23691	79.5
391.35315	4.3
403.24619	30.6
431.27869	4.4
433.25882	9.7
441.26254	7.8
459.21082	7.8
459.27417	100.0
460.27609	5.7
477.28522	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02972	4.4
53.03191	6.1
53.03944	13.2
55.01870	21.2
55.05513	79.5
57.03431	18.8
57.07050	4.1
67.05505	83.3
68.12733	4.4
69.03448	9.9
69.07074	22.2
69.07401	4.7
70.09638	10.3
70.10056	11.8
71.04997	7.2
79.05495	92.0
81.03420	99.8
81.07059	72.7
82.57594	4.1
83.04969	24.0
83.08617	60.3
84.43224	4.4
85.02917	17.0
91.05484	86.3
93.07052	52.2
95.04977	43.3
95.08611	41.0
97.06512	10.1
97.10169	64.5
98.20885	6.1
105.07040	64.6
107.04959	45.1
107.08596	36.7
109.06534	8.8
109.10162	16.4
111.08078	10.1
115.05416	6.1
117.07009	23.3
119.08577	39.8
121.06483	27.6
121.10162	14.9
123.04418	6.4
123.08086	15.2
123.11713	11.2
125.06029	5.6
125.09647	39.0
129.07001	35.0
131.04938	11.2
131.08560	31.3
133.06500	13.0
133.10136	25.7
135.08086	17.9
137.09648	4.9
142.07816	5.1
143.08575	18.5
145.06494	25.3
145.10144	5.7
147.08052	18.5
147.11723	27.5
149.09644	13.5
151.07582	28.3
153.09071	6.6
153.12733	4.5
155.08557	10.0
157.06477	6.5
157.10161	24.2
159.08066	5.7
163.11194	11.1
169.10201	5.0
171.10188	7.6
171.11705	9.1
173.09602	6.9
175.11159	21.2
181.10109	5.4
185.13264	7.5
189.11235	26.2
189.12740	6.0
193.12245	56.7
195.11713	5.6
199.11244	10.8
211.13304	26.2
215.14366	7.9
227.12805	16.5
233.15451	15.6
249.14842	5.4
255.13837	6.5
258.67249	4.6
267.15897	21.2
273.14859	20.1
339.23141	12.1
349.21585	22.3
357.24197	9.7
367.22726	65.1
385.23752	99.7
403.24796	37.2
423.25076	5.6
433.25491	4.7
441.26266	11.7
459.27304	94.9
474.46335	4.3
477.28415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3211
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
51.71684	0.4
55.01868	0.9
55.05512	6.9
57.07077	3.1
57.31554	0.4
65.03944	1.1
65.89385	0.4
67.05511	6.7
67.17612	0.4
69.03417	0.8
69.07063	5.1
71.05003	0.8
71.16908	0.5
71.17239	0.7
73.06554	2.4
79.05492	3.7
81.03413	0.8
81.07051	5.9
83.01342	9.1
83.04974	1.8
83.08624	2.1
85.02884	0.5
85.06532	0.8
91.05491	2.5
93.07040	3.5
95.04971	0.9
95.08613	3.0
97.02889	1.6
97.06515	0.7
97.10157	1.9
99.83733	0.4
102.74580	0.4
105.07051	1.1
107.04938	2.0
107.08622	2.7
109.06532	1.4
109.10140	1.8
111.08082	0.5
119.08587	0.6
121.06536	0.5
121.10149	1.7
121.11031	0.4
123.08051	0.6
129.01842	3.6
133.06435	0.4
135.04413	7.6
135.11714	1.1
137.05972	0.7
145.10139	0.7
149.13289	1.0
153.05482	4.2
155.39001	0.5
157.10109	0.8
163.03905	1.4
180.52831	0.4
181.04965	25.0
183.06503	0.9
195.06537	17.4
199.06029	24.9
207.06584	1.0
209.08099	8.1
213.91434	0.4
221.08061	1.0
222.07603	0.6
223.09663	9.3
235.09682	2.0
237.11215	5.3
249.11234	4.4
251.12770	4.4
263.12930	1.6
265.14410	2.1
270.34872	0.4
277.14426	1.0
279.16031	1.3
291.15976	1.7
293.17502	1.6
305.17435	1.2
307.19043	1.5
319.19098	0.5
321.20200	0.5
321.98193	0.5
333.20447	0.5
359.21967	0.8
361.23651	0.9
367.22479	0.5
375.25302	6.6
377.27026	0.6
385.23785	1.2
389.27042	1.3
403.24695	3.5
412.26871	0.5
459.31366	12.1
477.32162	100.0
478.32578	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	477.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23130	2.2
53.03933	5.2
55.01870	3.2
55.05518	15.2
57.03434	3.1
57.07077	100.0
57.87532	2.4
67.05498	19.2
69.07065	28.5
70.01096	12.2
71.05000	4.3
79.05513	12.5
81.07057	36.7
83.01340	15.1
83.04960	2.9
83.08618	15.4
85.02905	3.6
85.06547	66.8
91.05498	9.7
93.07055	13.8
95.04985	5.6
95.08606	40.2
97.02903	4.6
97.10181	5.5
98.20862	5.2
98.21420	3.6
99.08140	2.7
105.07026	12.3
107.04960	25.5
107.08593	10.4
109.06522	4.5
109.10165	20.0
111.04440	2.7
115.03922	3.3
115.05423	4.3
117.06989	2.9
119.08596	11.8
121.06505	57.5
121.10131	9.1
123.08077	6.0
123.11726	15.7
125.05985	6.2
127.11192	3.0
129.07033	2.9
131.08614	3.7
133.06511	6.6
133.10152	6.3
135.04401	5.9
135.08040	3.9
135.11707	6.8
137.05980	12.4
137.09647	2.7
137.13269	3.1
138.11276	3.4
139.03922	8.6
139.89934	3.4
145.06485	9.5
145.10114	5.7
147.08015	5.5
147.11713	4.0
149.06001	3.7
149.09602	3.0
149.13335	4.8
151.07526	27.4
151.14825	3.8
153.05505	13.3
155.08609	3.2
157.10191	4.2
159.11705	9.4
159.97292	2.9
161.09630	7.0
161.13301	3.2
163.07559	13.6
163.11169	2.9
163.14859	4.3
165.09077	4.6
167.07010	8.5
171.08086	4.6
175.07556	7.4
175.11229	3.7
177.09134	3.7
179.03442	14.4
179.07014	6.3
181.04930	6.6
185.46962	2.4
186.97015	2.8
187.07559	4.2
189.09169	4.1
191.17937	3.0
193.08580	13.5
195.06523	5.9
197.04469	47.5
199.05984	6.3
201.09157	4.1
203.10669	5.3
217.08662	2.7
219.24927	2.6
249.11284	5.0
283.26352	4.5
331.29849	4.4
333.27872	48.7
347.25604	3.1
357.27905	4.1
375.24933	3.5
375.29041	11.4
389.30148	3.0
399.29004	7.6
413.30661	17.1
417.30075	3.7
431.31573	31.9
433.33133	2.9
441.29715	16.7
459.24844	5.3
459.31033	82.4
460.31354	4.1
477.31564	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31440	4.4
55.01868	12.9
55.05514	79.8
57.03430	11.7
61.65141	4.5
67.05177	4.3
67.05510	78.3
67.64655	4.5
69.03425	12.9
69.07069	22.9
69.61826	23.3
79.05056	6.0
79.05497	92.5
81.03418	89.3
81.07056	71.8
83.04997	26.5
83.08622	58.7
85.02895	12.8
85.06528	4.8
91.05487	89.0
93.07042	56.2
95.04983	41.4
95.08614	30.0
97.06545	6.5
97.10184	54.8
98.20747	8.7
98.21352	8.6
105.07045	54.7
107.04959	39.8
107.08605	39.0
109.06505	20.2
109.10144	18.0
111.04433	5.2
111.08081	12.4
115.05428	5.7
117.07029	21.5
119.04959	5.6
119.08569	44.0
121.06519	34.4
121.10108	16.0
123.08057	12.4
123.11703	5.3
125.09634	37.5
128.06210	5.3
129.06979	34.3
131.04884	6.7
131.08551	34.9
133.06488	10.2
133.10097	19.9
135.08041	17.1
135.11700	8.2
143.08556	13.5
145.06500	24.6
145.10088	17.5
147.04411	7.2
147.05550	4.0
147.08084	19.5
147.11652	25.5
149.09622	13.8
149.13226	6.0
151.07469	9.4
153.09091	8.7
153.12724	4.2
155.08580	9.3
157.06435	7.1
157.10112	25.2
159.08087	5.8
159.11700	8.6
161.05983	5.0
161.09607	8.9
163.07494	5.4
165.12735	5.4
167.07072	6.2
169.10152	7.9
171.07983	6.9
171.10237	4.8
171.11646	8.3
173.09570	4.8
175.11250	21.0
177.12854	4.4
183.07965	4.9
185.09578	6.1
187.11234	6.2
189.11215	26.0
193.12230	54.9
197.13316	9.6
199.11171	10.9
203.14279	5.4
205.12213	5.9
211.11401	6.1
211.13272	31.0
213.12811	6.9
215.14308	7.7
227.12662	10.9
233.15347	21.4
238.21460	4.4
245.15385	5.2
249.14909	5.3
267.15930	24.7
273.14825	15.2
302.43704	5.5
339.23141	7.4
349.21469	20.0
357.24252	16.3
367.22705	56.0
385.23792	94.7
403.25079	26.7
433.25797	7.0
441.26080	6.3
459.27402	100.0
477.22156	5.8
477.28476	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.7
55.05268	3.0
55.05513	53.9
57.03430	10.3
65.03938	3.1
67.05173	3.8
67.05509	65.6
67.83577	2.8
69.03421	7.2
69.07073	20.0
69.50161	22.7
71.04988	7.5
79.05492	67.7
80.56979	3.1
81.03423	51.6
81.07058	55.5
83.05007	14.1
83.08617	35.0
85.02869	3.8
85.06536	4.0
91.05487	47.3
93.07048	36.6
95.04974	32.9
95.08606	29.7
97.02914	3.2
97.06527	8.9
97.10178	39.5
98.21124	12.0
102.46317	2.9
105.07040	37.6
107.04968	35.5
107.08601	32.0
109.06512	13.5
109.10140	14.7
111.08074	8.4
115.05449	5.1
117.07037	17.5
119.04948	4.6
119.08589	23.3
121.06498	31.4
121.10139	13.5
123.04413	3.2
123.08044	11.1
125.09631	30.7
128.06175	4.2
129.07022	18.6
131.04883	5.9
131.08572	19.9
133.06487	15.2
133.10144	15.7
135.08057	14.4
135.11707	5.8
141.06989	6.9
142.07867	5.9
143.08545	12.1
145.06531	21.2
145.10115	14.5
147.04424	3.4
147.08054	10.9
147.11639	14.5
149.09616	8.5
151.07526	5.3
153.09126	9.0
153.12820	3.3
155.08527	8.0
157.06494	7.4
157.10152	15.8
158.72018	2.8
159.08006	4.8
159.11656	6.8
161.05988	4.0
161.09587	5.3
161.13272	2.9
163.11180	4.7
165.12721	4.8
167.07121	4.1
169.06526	3.4
169.10126	6.5
171.10284	5.2
171.11702	7.1
173.09669	3.7
175.11172	8.8
183.11702	4.6
185.13268	7.0
187.11134	5.0
187.14920	3.7
189.09506	3.0
189.11198	17.6
189.12704	6.2
193.12224	29.1
195.11787	3.4
197.13161	4.4
199.11165	3.9
203.14413	3.5
211.13309	8.8
213.12836	3.5
215.14334	7.2
219.13791	3.3
223.13254	4.4
227.12682	21.4
233.15356	18.0
237.12691	6.7
241.14253	7.6
245.15327	7.0
249.14824	5.1
267.15964	25.4
271.49362	3.6
273.14706	12.8
275.16394	3.0
289.18082	3.7
339.23209	10.5
341.20978	8.8
349.21469	15.5
357.24066	17.3
367.22717	42.3
385.23715	74.3
385.28323	2.8
403.24765	34.2
433.25449	15.1
441.26218	6.5
459.27454	100.0
460.27960	3.5
477.28455	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01860	17.5
55.05266	3.9
55.05514	60.8
57.03430	11.5
65.03928	3.7
67.05505	58.5
69.03427	8.7
69.07069	22.4
70.82640	8.4
71.04984	7.6
79.05493	68.2
81.03416	44.0
81.07056	58.5
83.04968	12.5
83.08627	32.5
85.02905	4.6
85.06529	5.8
91.05481	47.8
93.07059	41.1
95.04974	32.0
95.08614	31.7
97.02876	3.5
97.06518	8.3
97.10180	45.4
98.20910	5.8
98.56602	2.8
105.07036	40.7
107.04961	37.6
107.08603	31.4
107.36577	2.8
109.06537	15.1
109.10150	14.3
111.08077	7.5
115.05453	4.3
117.07019	22.1
119.08598	26.1
121.06521	28.0
121.10117	13.8
123.04385	3.9
123.08037	7.2
125.09620	36.2
128.06221	5.2
129.07016	18.1
131.04897	4.6
131.08571	28.7
133.06464	12.9
133.10120	17.0
135.04390	2.9
135.08040	14.8
135.11722	4.3
137.09657	8.1
141.07010	6.0
143.08546	11.6
145.06525	23.3
145.10126	16.6
147.04430	7.9
147.08101	15.0
147.11676	11.8
149.05943	3.6
149.09583	12.5
153.09109	6.9
155.08519	8.7
157.06520	5.9
157.10143	15.5
159.08054	8.4
159.11696	10.8
161.05974	5.7
161.09598	10.5
163.11151	8.3
165.12749	4.5
167.07054	8.6
169.10147	9.1
171.07971	6.6
171.11687	10.9
173.09572	5.4
173.13174	4.0
175.11154	11.6
181.10112	5.8
185.09727	5.6
185.13150	3.3
187.11238	5.0
189.11253	22.4
189.12755	4.8
193.12196	24.3
195.11694	4.7
197.13231	4.6
199.11174	5.4
201.12727	3.7
203.14256	4.0
205.12204	4.6
211.13231	10.5
213.12704	4.5
215.14297	5.7
217.12344	5.6
223.11143	3.5
225.12804	3.0
227.12636	17.6
231.13716	6.5
233.15324	19.2
241.14464	4.0
245.15442	5.8
249.14786	4.9
255.13814	4.1
267.15924	25.5
273.14761	15.5
279.25232	5.3
287.16397	4.7
289.18158	3.7
299.47916	3.2
302.52026	3.4
313.80289	2.9
323.19952	4.4
339.23120	8.7
341.21082	8.0
349.21567	13.6
357.24280	16.5
367.22702	45.6
385.23749	82.4
403.24777	28.3
433.25565	8.3
441.25964	5.4
459.27365	100.0
477.28479	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	6.2
67.57518	1.9
69.03421	3.5
69.66234	13.4
71.04997	3.4
72.17074	1.8
79.01840	5.1
81.03413	4.5
84.87054	1.8
85.02900	8.3
85.06519	5.6
91.05479	3.5
97.02850	3.0
98.20998	6.2
101.06020	5.5
109.02923	4.0
125.02293	3.3
127.03918	7.9
127.07510	5.3
127.11175	3.7
143.03400	4.9
145.08566	4.5
153.01831	100.0
162.05492	3.6
163.05811	2.5
163.09679	2.5
171.02858	12.6
211.10858	5.2
315.07040	11.9
450.11212	2.4
486.02078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1758
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
53.03939	1.6
55.01870	2.4
55.05516	7.3
57.03441	2.5
61.02914	1.1
65.03937	1.8
65.92921	0.4
67.01459	0.4
67.05507	17.9
69.03423	4.2
69.07072	2.5
71.05000	1.4
71.18599	0.9
73.02935	0.7
74.74090	0.4
79.05495	9.7
81.03420	9.1
81.06582	0.5
81.07063	9.4
82.03765	0.5
83.01362	0.7
83.04970	2.7
83.08628	4.3
85.02910	14.1
85.06553	0.7
87.04458	0.5
91.03969	0.6
91.05482	11.1
91.21462	0.4
93.07047	6.4
95.04977	10.2
95.08614	4.5
97.02892	2.6
97.06543	1.9
97.10170	5.2
98.70587	0.5
99.04446	0.6
103.03920	0.5
103.05499	0.5
105.07037	5.8
107.04958	7.0
107.08612	4.6
109.02889	1.5
109.06525	2.2
109.10152	2.0
111.04465	0.6
111.08105	2.1
115.05465	0.9
117.07005	2.2
119.04948	8.1
119.08597	3.2
121.02882	1.0
121.06511	3.8
121.10167	2.2
123.04437	1.6
123.08076	1.7
123.11729	1.1
124.05183	1.0
125.05965	0.7
125.09641	4.8
127.03927	2.3
128.06219	0.9
129.06996	2.6
131.04929	1.1
131.08591	2.3
133.06500	1.9
133.10129	2.7
135.04404	1.2
135.08080	1.9
135.11676	0.8
137.80563	0.4
139.07584	2.4
142.07709	0.5
143.08601	1.1
145.04979	1.7
145.06476	2.1
145.10175	2.2
147.04417	27.6
147.08049	1.9
147.11691	2.3
148.04788	0.4
149.05998	0.6
149.09622	1.2
151.07594	1.0
152.04681	1.0
153.09090	1.5
155.08595	1.1
157.06509	1.1
157.10161	2.3
159.08073	0.8
159.11682	0.8
161.05989	1.1
161.09625	0.9
163.03915	9.6
163.11201	1.2
165.09114	1.3
165.12799	0.6
167.03400	2.9
167.07008	3.5
169.10139	0.6
171.08098	0.6
171.11707	0.9
173.09601	0.7
175.11205	1.6
177.12721	0.5
180.04219	1.0
181.04974	6.5
183.11804	0.6
189.05576	0.7
189.11223	2.4
189.12679	0.6
193.08623	0.6
193.12256	4.9
195.06543	100.0
196.06850	1.0
197.13214	0.5
199.11142	0.8
205.12273	0.6
209.54703	0.5
211.13295	1.4
213.07613	7.8
215.14362	0.6
221.08107	3.3
223.13297	0.6
227.12817	1.1
233.15379	2.3
249.14903	0.4
255.14003	0.6
259.13202	0.7
267.15887	1.6
271.06198	0.6
272.06979	0.9
273.11627	0.5
273.14792	1.6
291.15936	0.7
297.11053	0.5
299.05484	3.0
300.06326	8.1
315.08612	48.9
315.12283	98.7
316.08908	1.3
316.12653	2.7
339.23187	1.2
349.21628	1.8
357.13452	0.8
357.24271	0.8
367.22623	6.3
385.23718	10.7
403.24792	3.5
441.26132	1.3
459.27231	8.8
477.13889	13.5
477.28354	11.1
478.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.09217	0.2
53.03690	0.2
53.03937	0.6
55.01863	0.6
55.05510	3.1
57.03422	0.9
58.04821	0.2
61.02643	0.3
61.02930	4.7
67.05500	2.1
69.03431	1.3
69.07080	0.5
70.73083	0.3
70.73402	0.3
71.04994	0.4
73.02918	1.4
73.50342	0.2
76.41250	0.2
79.05493	2.7
79.46634	0.3
81.03415	0.8
81.07056	2.6
83.01328	0.9
83.04993	0.7
83.08616	1.1
85.02910	4.5
91.03957	3.0
91.05470	1.5
93.07035	1.9
95.04974	1.0
95.08606	1.2
97.02889	2.8
97.06519	0.3
97.10189	1.7
98.20941	0.4
99.04427	0.4
105.03463	0.3
105.07022	1.4
107.04960	2.3
107.08597	2.2
109.02868	0.5
109.06498	0.5
109.10180	0.5
111.04453	0.3
115.03845	0.2
117.07000	0.7
119.08589	1.1
121.02887	2.6
121.06499	1.5
121.10088	0.4
123.08082	0.5
123.11736	0.4
125.09634	1.6
127.03915	1.0
129.07063	0.5
131.04927	0.3
131.08553	0.9
133.02852	0.3
133.06459	0.5
133.10114	0.6
135.08051	0.6
135.11699	0.3
137.06004	0.8
137.09560	0.3
139.03909	0.3
141.07069	0.3
143.08560	0.6
145.04933	0.5
145.06479	0.9
145.10100	0.5
147.04430	0.3
147.08023	0.6
147.11655	0.3
149.05972	0.3
149.09608	0.4
151.07559	0.8
153.01833	0.4
153.09171	0.4
155.08496	0.5
157.06506	0.3
157.10248	0.4
159.08038	0.4
159.11707	0.6
161.09627	0.4
165.05450	0.6
165.09128	0.6
166.09375	0.4
167.08549	0.3
170.95543	0.3
171.07971	0.3
171.11766	0.3
175.11139	0.5
181.04947	3.7
185.09584	0.6
189.09174	0.4
189.11176	0.7
189.12714	0.3
191.07179	0.3
193.04955	2.1
193.12250	0.5
195.08116	0.4
199.11247	0.3
213.09093	0.3
217.12274	0.3
223.13121	0.3
233.15340	0.3
241.08527	1.2
241.14235	0.3
257.07813	0.3
259.09689	0.5
267.16074	0.3
269.08167	0.6
273.14883	0.7
286.08420	1.1
287.09152	0.4
313.07040	0.9
315.08615	100.0
316.08948	1.5
349.21561	0.6
367.22690	2.3
385.23700	3.4
403.24857	1.1
458.51096	0.3
459.27582	2.6
477.28479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03946	1.7
55.01865	2.4
55.05511	9.3
57.03426	2.6
57.04016	0.9
57.07066	1.0
59.29111	0.8
61.02927	4.9
62.18761	0.8
65.03933	1.2
65.16280	0.8
67.05503	9.2
69.03429	5.0
69.07061	4.0
70.02168	3.9
71.04993	1.7
73.02907	2.6
79.05495	9.4
81.03422	8.3
81.07064	10.1
83.01340	1.2
83.04974	3.6
83.08605	3.5
85.02892	6.1
85.06557	3.8
91.03946	2.8
91.05470	5.2
93.07039	7.7
95.04939	5.1
95.08606	7.1
97.02876	4.1
97.06529	2.4
97.10169	7.3
98.20802	1.1
99.04451	1.4
99.08124	1.2
103.05544	0.9
105.07030	9.9
107.04968	6.7
107.08595	7.3
109.02865	3.6
109.06518	3.5
109.10161	5.6
111.04421	1.7
111.08071	2.2
117.07034	3.2
119.08601	6.6
121.02879	3.0
121.06499	4.1
121.10149	4.6
123.04419	1.6
123.08106	3.7
123.11720	2.9
125.02328	1.4
125.05999	1.6
125.09637	5.7
127.03883	2.7
127.87415	0.8
128.06224	0.9
129.06998	2.2
131.04890	0.9
131.08563	3.6
133.02826	0.9
133.06490	2.0
133.10153	4.9
135.04361	1.7
135.08026	3.1
135.11671	2.3
137.02406	0.7
137.05975	3.8
137.09578	2.0
141.06998	0.9
143.08563	1.6
145.06471	3.1
145.10095	3.6
147.04404	3.4
147.08043	1.9
147.11679	3.3
149.09613	3.4
149.13330	1.1
151.07567	4.9
151.11179	0.8
153.01845	5.4
153.05501	1.0
153.09148	1.6
155.08575	1.5
157.10118	2.4
159.08113	0.8
159.11676	2.2
161.05994	1.4
161.09637	2.4
161.13182	1.5
163.03947	2.0
163.07521	1.3
163.11206	2.5
165.05444	1.2
165.09106	3.5
167.07025	4.0
167.08363	1.4
171.08130	1.0
171.11630	1.1
173.09525	0.9
173.13187	1.4
175.07497	1.6
175.11180	1.3
175.14610	1.1
177.09167	1.2
177.12747	1.0
181.04936	4.3
185.09578	1.7
187.11296	1.0
187.14879	1.1
189.09140	1.6
189.11171	2.6
189.12689	1.1
191.10681	1.6
193.04984	2.1
193.12230	2.6
195.11708	1.0
197.13295	1.1
199.11273	1.8
201.12708	1.1
203.10736	1.0
203.14523	1.2
205.08481	1.0
205.12172	1.0
211.11177	1.1
213.12831	1.1
227.12650	1.1
227.14655	0.9
233.15401	2.2
241.08633	1.0
267.15881	1.6
269.07953	0.9
273.14941	1.9
286.08371	1.5
287.16687	1.0
313.07077	2.0
314.22586	0.8
315.08624	100.0
316.09006	1.7
327.08630	1.6
333.16873	0.9
339.23080	1.0
349.21735	1.4
367.22781	5.5
385.23804	10.5
403.24609	2.4
441.26120	1.5
459.27225	8.7
477.17392	1.0
477.28580	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	476.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.7
55.01870	11.0
57.03437	29.2
59.04999	4.8
61.02935	11.3
65.13786	2.0
69.03433	95.1
69.07063	3.8
69.78907	13.3
71.01355	5.0
71.05004	3.3
73.02921	78.3
75.04472	3.2
76.16920	2.2
79.01872	4.1
79.05479	3.9
81.03414	13.4
81.07063	4.4
83.04984	3.4
85.02908	100.0
87.04471	47.1
91.03938	2.9
91.05508	5.0
93.07059	3.1
95.05006	3.1
95.08593	2.6
97.02899	89.4
98.20758	4.2
98.21410	5.2
99.04449	6.2
103.03989	3.9
103.60952	2.2
105.07044	21.8
106.02943	3.0
107.04990	2.1
107.08594	4.7
109.02897	12.4
109.06522	3.3
115.03935	86.6
117.07022	3.2
121.10142	3.9
123.08051	3.2
124.03947	5.8
124.05222	6.9
125.02324	3.0
126.05552	2.4
127.03914	27.9
127.08710	2.6
128.04256	3.0
133.04973	94.2
133.06479	18.6
137.02306	5.0
137.05975	30.9
143.03426	4.6
144.06544	3.5
145.04968	31.0
145.06075	3.2
145.06445	2.0
150.07637	10.6
151.04012	4.4
153.01830	86.0
154.02200	20.5
162.07700	4.1
163.06024	4.6
164.89861	3.1
165.09117	64.4
167.07004	5.3
171.02913	11.1
173.08124	4.1
177.09055	3.5
178.04959	2.6
187.21809	2.3
189.09128	8.3
207.10129	2.7
223.06102	4.6
241.07054	5.9
243.10133	2.3
259.08218	3.4
266.38617	2.5
268.08105	4.0
279.12201	2.7
315.06952	11.3
316.07419	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
57.03440	27.0
59.04999	6.2
60.04516	3.6
61.02929	3.2
65.01601	1.8
67.05495	3.5
69.03431	100.0
71.45491	3.3
73.02931	8.9
75.04454	2.6
76.29836	2.1
79.05475	5.1
81.03416	5.6
81.07062	3.2
83.05004	9.1
83.81848	1.8
85.02905	66.6
87.04469	59.0
91.03980	2.4
91.05487	3.1
93.07073	2.4
95.04956	3.1
95.08575	2.8
97.02893	77.1
98.25589	1.7
99.04396	2.2
103.05453	2.0
105.07028	20.1
107.04903	1.8
109.02839	2.8
111.04417	2.9
115.03932	99.6
115.25523	1.7
119.08573	2.5
121.02932	2.4
122.03642	2.1
123.08043	2.2
123.11667	2.3
127.03931	8.7
129.07076	1.9
131.08572	2.0
133.04968	99.3
133.06459	22.7
133.10072	1.8
137.02267	2.6
137.05991	28.4
144.06535	4.1
145.04964	11.8
145.06474	2.4
147.08070	3.9
150.07625	11.9
153.01807	3.0
161.05920	2.0
162.07587	2.2
165.07764	3.6
165.09114	59.4
174.06711	2.4
175.07500	2.5
177.09111	7.5
189.09093	5.9
201.09177	2.3
207.10123	9.2
241.07091	2.8
243.10236	2.9
259.08167	3.2
315.08701	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01869	2.1
55.05510	19.5
57.03436	20.8
57.07079	52.0
61.02641	2.8
61.02931	45.3
65.03955	2.2
67.05504	38.8
69.03434	26.7
69.07077	20.4
71.01354	5.2
71.04998	4.4
71.08635	30.8
71.56992	2.1
73.02920	23.9
75.04480	2.1
79.05495	34.3
80.09776	1.8
81.03430	22.6
81.07060	54.9
83.04988	6.5
83.08621	23.3
85.02908	51.1
85.06551	4.4
85.10194	13.7
91.03960	32.4
91.05481	24.7
93.07053	28.9
95.04987	6.7
95.08612	50.1
97.02898	48.8
97.06522	3.6
97.10173	8.8
99.04443	6.4
101.02396	9.8
103.03944	7.5
105.07037	18.8
107.04958	4.6
107.08593	15.5
109.02866	12.3
109.06535	5.1
109.10158	23.8
111.11687	2.1
115.03963	3.6
117.05492	3.2
117.07027	5.2
119.08574	8.8
121.06465	4.1
121.10130	11.6
123.08106	2.6
123.11719	11.4
125.09645	2.8
125.13232	3.6
127.03911	23.7
129.05466	3.7
129.07053	5.1
131.08563	5.8
133.10114	13.2
135.11665	3.8
137.13258	5.4
143.08578	4.6
145.04965	9.4
145.10120	4.0
147.08043	1.9
147.11703	7.6
149.13263	9.6
151.07535	2.4
159.06490	3.4
159.11714	6.0
161.13277	6.2
165.09109	3.4
167.07164	2.1
169.08640	2.0
171.11697	6.6
173.13147	2.6
176.78178	2.1
177.12796	3.1
177.16516	1.8
183.06537	4.9
189.12767	4.0
189.16406	2.3
195.13808	2.5
201.07648	4.1
203.17819	2.3
207.13742	5.1
239.23726	31.1
253.53580	1.7
257.24796	2.5
313.27371	100.0
341.27011	2.1
374.61786	1.9
383.68518	1.9
391.29645	2.7
429.34155	3.0
457.31931	7.3
475.31592	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52858	1.3
53.03933	3.1
55.01876	12.3
57.03433	1.9
57.07055	5.7
59.04978	2.3
61.49147	1.6
67.05493	6.5
69.03444	7.5
69.07079	8.5
70.02943	5.3
70.06556	2.3
71.04986	2.8
71.56558	1.6
72.04519	20.1
73.02921	11.0
74.02456	1.8
81.03418	21.7
83.04969	6.5
85.02911	9.0
85.06541	11.0
86.09676	3.3
87.08103	2.8
89.29646	1.4
90.05038	2.5
90.05560	36.6
91.05470	2.1
95.04974	7.4
96.08133	2.4
97.02898	12.1
98.02422	16.1
99.04449	7.8
100.03978	7.9
103.07574	5.0
109.02212	2.6
109.02890	32.0
113.02360	15.3
113.06007	5.0
116.03466	19.8
121.02876	2.3
124.07596	27.3
127.03936	14.9
128.98172	1.4
130.08649	3.9
131.07010	2.6
132.06532	7.6
133.06467	6.7
138.05505	4.6
138.09164	3.1
138.90742	1.6
142.08629	19.2
145.04942	8.8
147.04391	4.4
153.01854	8.1
156.10179	2.8
160.09706	5.8
161.05968	5.2
162.05499	4.6
165.05437	3.1
166.08656	11.0
172.09665	6.1
174.11282	5.4
184.09700	32.7
187.06020	2.2
193.08705	7.3
198.07568	5.8
199.05930	3.7
202.10753	100.0
203.11371	3.1
211.09518	7.8
216.08675	9.7
217.07054	3.0
220.11789	19.0
221.08109	2.3
230.10229	13.6
234.09700	12.5
244.11858	3.3
262.12866	18.5
310.12842	8.9
328.13901	40.6
343.68188	1.6
346.11243	5.3
346.15018	8.0
364.15930	9.9
458.16721	2.6
476.16663	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63510	1.9
53.03937	8.9
55.01866	6.9
55.05511	25.7
57.03427	7.3
57.07063	9.4
65.03932	3.3
67.05508	84.7
69.03412	4.0
69.06777	2.3
69.07071	30.9
71.04983	8.0
71.57919	3.0
73.06533	3.4
79.05493	99.7
81.03412	10.0
81.07060	100.0
83.04987	19.9
83.08623	19.2
85.06516	8.4
91.05482	71.6
93.06466	4.7
93.07050	90.6
95.04966	26.3
95.08039	4.0
95.08605	48.3
97.06527	11.8
97.10180	3.4
99.08081	4.8
105.04482	3.5
105.06371	3.8
105.07034	46.5
106.56530	2.4
107.04937	6.1
107.07867	2.5
107.08597	46.0
109.06527	8.8
109.10157	16.2
111.08068	7.7
115.05467	4.3
117.07014	16.2
119.08569	28.0
121.06476	5.9
121.10135	22.8
123.08098	6.7
123.11711	7.6
129.07030	15.7
131.08591	11.5
133.10126	19.6
135.08060	4.1
135.11710	11.7
137.06067	3.3
143.08522	9.3
143.09578	2.3
145.10120	11.6
147.11696	28.7
147.74603	2.1
149.13255	24.5
151.07465	2.8
151.11116	2.3
155.08574	2.5
157.10139	3.9
159.11732	11.7
161.09624	5.0
161.13292	15.0
163.11157	2.7
163.14772	2.2
167.07082	3.6
169.10155	2.5
171.11685	24.2
177.09229	2.9
177.12744	7.7
181.04999	5.8
189.12740	12.2
189.16367	3.8
195.13834	6.4
199.06020	4.0
207.13788	27.1
295.66217	2.7
319.96509	2.3
349.23895	2.5
404.72931	2.6
457.29254	10.0
475.30325	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.4
51.02382	1.7
53.03950	10.8
55.01871	5.3
55.05513	27.1
57.03432	5.3
57.07091	3.2
57.59908	1.2
65.03947	6.9
67.05506	81.8
67.55669	1.3
69.03429	3.3
69.07074	23.7
70.75903	2.6
70.76246	1.8
71.01365	1.5
71.04996	5.8
73.06557	2.5
73.74319	1.3
79.05496	89.5
81.03413	11.9
81.07060	100.0
83.01351	5.1
83.04989	16.0
83.08625	15.5
85.06553	5.3
91.05485	62.5
93.07046	88.7
95.04977	21.3
95.08605	34.4
97.06539	11.4
97.10190	3.7
98.21021	1.6
99.08102	2.7
103.05476	3.0
105.04529	2.8
105.07037	41.4
107.04958	9.9
107.07885	2.1
107.08596	34.9
107.09284	2.4
109.06515	10.7
109.10143	7.4
111.04522	2.4
111.08086	6.4
112.43228	1.2
115.05479	3.2
117.07037	14.7
119.06216	1.6
119.08591	22.2
120.93136	1.3
121.06532	5.2
121.10142	20.9
123.08087	5.6
123.11745	2.9
125.09671	3.1
127.07585	2.0
128.06232	3.4
129.07002	12.4
131.04990	1.6
131.08572	10.8
133.06514	1.7
133.10139	14.2
135.04477	3.1
135.08087	2.5
135.11688	8.3
137.09613	1.7
139.11365	1.4
143.08540	7.0
145.10124	11.3
147.08037	2.3
147.11700	30.1
147.12778	2.7
149.13274	18.7
151.11185	3.0
155.08492	1.5
157.10197	1.9
159.11678	10.3
161.09621	3.2
161.13275	10.7
161.83516	1.3
163.11229	2.7
167.07083	5.5
171.11716	24.5
177.12816	3.9
181.05019	7.5
189.12747	12.0
195.06552	4.9
195.13895	6.0
199.06042	8.6
207.13824	28.9
207.15666	2.1
213.14952	1.6
221.08180	2.7
223.09709	1.5
225.14990	4.5
236.20203	1.4
249.11383	3.9
269.17529	1.8
354.92126	1.6
383.22452	3.7
401.23428	2.2
454.74011	1.5
457.30264	9.0
475.30728	87.7
476.31308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03941	7.3
55.01861	5.7
55.05517	21.8
57.03430	4.1
57.07068	2.9
58.83794	1.5
65.03928	5.1
67.05508	88.6
68.58479	1.4
69.03427	2.2
69.07073	22.0
69.75218	2.8
69.75615	6.3
71.04993	5.5
73.06557	2.2
77.03959	1.2
77.68401	1.4
79.05495	100.0
81.03422	10.7
81.07059	93.7
81.07450	1.0
83.04984	15.0
83.08634	15.3
85.06548	3.9
91.05485	75.1
93.07050	97.7
95.04977	22.7
95.08610	40.1
97.06528	11.1
97.10172	4.7
98.21242	3.9
99.08102	3.7
103.05472	2.3
105.04530	3.2
105.07034	43.7
105.26414	1.3
107.04967	7.6
107.07871	2.0
107.08597	37.9
109.06519	5.6
109.10170	4.7
111.08074	6.9
113.09653	1.5
113.68279	1.4
115.05437	1.7
117.07034	13.0
119.08593	25.3
121.06516	5.1
121.10143	18.1
123.08073	5.7
123.11715	2.0
125.09595	2.0
128.06203	2.6
129.07021	13.7
131.08594	11.1
133.10136	16.4
135.08025	2.8
135.11700	8.3
141.09097	1.5
143.08571	6.1
145.10136	10.4
147.08084	2.5
147.11697	32.8
149.09589	1.5
149.13272	25.6
159.11691	12.2
161.09612	3.9
161.13310	10.8
163.11234	1.4
167.07048	2.0
171.11705	24.0
173.09555	1.4
177.12773	4.4
189.12767	11.4
195.13808	9.0
207.13802	29.3
207.15697	1.8
220.20381	1.3
221.59171	1.3
225.02562	1.4
225.14941	4.2
401.27304	1.5
457.29398	4.2
465.97168	1.4
471.37308	1.7
475.30576	71.0
476.31061	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	475.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83724	0.8
51.02378	1.0
51.69377	0.9
53.03954	9.4
55.01869	6.0
55.05259	1.5
55.05513	26.4
57.03444	6.7
57.07066	2.7
59.05011	1.6
65.03945	5.1
67.05509	93.4
69.03439	2.0
69.06718	1.5
69.07071	24.6
69.38600	0.8
71.04990	5.1
71.57040	1.4
72.73174	0.8
73.06533	1.5
77.03888	0.8
79.05497	100.0
81.02973	1.5
81.03423	19.7
81.07062	97.7
83.04989	16.9
83.08620	20.1
85.02918	1.2
85.06552	6.3
91.05488	71.0
93.07050	93.7
95.04971	25.7
95.08610	38.9
97.02911	2.2
97.06531	11.5
97.10172	4.5
99.08111	2.8
103.05484	1.8
105.04524	3.3
105.07035	45.4
107.04964	10.2
107.08598	36.5
109.02867	1.1
109.06538	9.1
109.10158	10.4
111.04399	1.4
111.08100	8.6
113.05940	1.0
113.09628	1.2
115.05431	1.6
117.07021	15.6
119.08585	25.9
121.06497	5.2
121.10147	18.8
123.08095	6.6
123.11682	3.4
125.06007	1.1
125.09644	2.0
127.07567	1.5
128.06227	3.8
129.07025	15.0
131.08571	13.0
133.06485	2.8
133.10141	18.1
133.11073	1.6
135.08067	4.0
135.11685	11.0
137.09587	1.7
139.07509	1.1
141.07011	1.3
141.09175	1.4
143.08571	9.3
145.06578	1.6
145.10153	11.0
147.04335	0.8
147.08070	3.5
147.11694	34.1
149.09624	2.1
149.13275	23.8
151.11220	2.3
153.12758	2.4
155.08586	1.5
156.09256	1.1
157.10121	2.9
159.11690	11.4
161.06062	1.4
161.09654	4.9
161.13268	14.7
163.11169	3.0
163.14713	1.2
165.12898	1.1
167.14357	0.9
171.11705	27.9
173.09628	1.2
173.13278	1.7
175.11206	1.6
177.12756	6.3
179.14360	1.5
181.12238	1.9
185.13242	0.9
187.11145	1.0
187.14873	1.1
189.12718	11.4
191.10629	1.1
193.12254	2.2
195.13737	8.5
200.55573	0.9
203.14233	0.9
207.13821	27.6
225.14801	5.0
227.12798	3.0
269.17429	2.0
273.15240	1.0
355.22733	1.1
383.21957	4.4
401.23193	1.9
457.25073	1.7
475.30951	67.5
476.31146	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03954	10.1
55.01873	4.2
55.05511	27.4
57.03436	6.7
57.07079	4.0
65.03940	6.5
67.05508	95.5
68.80937	1.5
69.03438	2.3
69.07069	23.5
71.04983	6.5
73.06564	1.5
77.03971	1.4
79.05495	97.7
81.03413	12.4
81.07061	98.1
83.04985	17.1
83.08610	15.6
84.25315	1.3
85.06548	5.0
91.05483	73.7
93.07048	100.0
95.04970	27.0
95.08613	38.8
97.06533	11.5
97.10181	5.9
98.21117	9.5
99.08109	3.8
105.04511	2.6
105.07036	44.7
105.42995	1.4
107.04968	6.3
107.08598	41.2
107.09289	2.9
109.06509	10.2
109.10115	6.9
111.08083	6.8
113.08284	1.2
117.07007	17.2
119.08591	27.9
121.06509	4.0
121.10140	19.3
123.08079	5.3
123.11733	2.7
127.07632	2.6
128.06223	3.1
129.07014	16.9
131.08588	11.8
133.10130	17.3
135.08102	2.7
135.11705	8.1
143.08528	9.3
145.10176	7.6
147.08101	3.8
147.11690	35.0
147.90450	1.4
149.13255	27.3
159.11684	9.1
161.06000	1.9
161.09660	6.2
161.13254	12.3
163.11217	2.6
171.11690	28.5
177.12767	7.1
189.12729	10.7
195.13898	7.2
207.13802	34.3
225.15015	4.3
433.01843	1.5
439.25330	1.5
457.30078	1.7
475.30695	74.9
475.99420	1.5
476.30374	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	475.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48020	1.0
53.03944	2.6
55.01869	6.3
55.05511	22.0
55.71206	1.1
57.03437	5.8
57.07041	1.3
59.66418	1.0
65.03925	2.2
67.05170	1.6
67.05505	25.4
67.43350	1.1
69.03423	2.9
69.07069	7.1
69.45401	7.7
71.04980	3.1
79.05050	1.7
79.05492	23.8
81.03422	10.7
81.06638	1.6
81.07058	19.3
83.04957	5.5
83.08627	7.8
91.04960	1.5
91.05482	17.3
93.07038	16.8
95.01318	1.5
95.04976	11.3
95.08594	12.9
97.06518	2.5
97.10178	12.9
98.21047	4.0
103.05463	1.5
105.03362	1.4
105.07043	12.8
107.04966	9.4
107.08587	10.6
109.02889	7.2
109.06499	3.3
109.10154	7.6
111.08059	2.5
115.05485	2.7
116.06289	1.0
117.07018	9.9
119.04897	2.5
119.08582	7.8
121.02898	5.1
121.06496	7.3
121.10151	5.4
123.04398	3.4
123.08044	3.2
125.02371	2.2
125.09633	8.3
128.06255	1.3
129.07005	7.3
131.04951	5.8
131.08574	7.9
133.06465	5.0
133.10114	3.7
135.04414	2.1
135.08051	4.1
135.11685	3.2
137.05966	3.1
137.09599	1.3
139.03830	1.1
141.06963	2.9
143.08563	6.0
144.05666	1.4
145.06476	9.8
145.08366	1.2
145.10124	8.0
147.04398	3.6
147.08069	6.5
147.11768	1.6
149.05904	1.2
149.09576	3.8
149.13162	1.2
151.07555	6.5
153.09122	2.5
153.12646	1.5
155.08525	4.3
157.06422	3.7
157.10109	4.0
159.04391	2.0
159.08049	5.5
159.11693	3.4
160.05194	5.1
161.05972	18.3
161.09573	3.1
163.07498	1.5
163.11172	5.0
167.07072	1.8
167.08534	1.7
169.06471	2.1
169.10091	4.1
171.04446	1.1
171.08051	4.4
171.11713	1.9
173.05971	3.6
173.09569	5.1
173.11800	1.9
175.07532	2.7
175.11180	2.0
181.10143	1.4
183.07990	2.2
183.11627	2.5
185.05984	2.3
185.09622	2.2
185.13254	1.6
187.07544	2.1
187.11111	2.5
189.09229	2.2
189.11206	3.8
191.10699	2.5
193.10487	1.3
193.12202	5.1
197.09602	2.7
199.11203	1.9
201.09082	1.6
201.12747	1.5
204.71359	1.2
209.09712	1.3
211.11118	4.8
213.12708	2.1
223.11227	1.6
225.12688	2.1
227.12672	1.9
231.13739	5.1
235.11185	1.7
237.11166	1.9
239.12840	1.4
243.13771	4.4
259.13373	1.7
269.15341	5.0
270.08759	1.7
271.13287	5.4
273.14752	5.6
283.06021	2.2
285.14709	1.3
287.16418	1.2
289.14377	13.8
297.07629	9.8
298.08365	28.5
303.15945	2.6
313.10678	100.0
314.10919	2.4
327.16208	1.2
337.21735	3.2
355.22598	4.8
365.21124	11.8
383.22162	56.2
393.23999	1.6
401.23193	25.3
403.23022	1.1
411.25433	1.5
413.23334	1.4
419.24240	3.2
421.23718	5.3
429.25522	1.3
431.24258	5.3
439.24722	8.1
457.25763	39.3
475.16940	8.0
475.26813	68.6
476.27066	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.7
61.14549	0.2
67.05499	1.0
69.07036	0.3
71.04626	0.4
71.61639	0.2
79.05449	0.8
81.03381	0.6
81.07062	0.9
83.04949	0.2
83.08589	0.3
89.55869	0.1
91.05443	0.6
93.07004	0.6
95.04955	0.4
95.08608	0.3
97.06439	0.2
97.10152	0.4
98.21344	0.1
105.07004	0.5
107.04923	0.3
107.08563	0.4
109.10107	0.3
117.06963	0.4
119.04877	0.2
119.08600	0.3
121.02832	0.5
123.04355	0.2
123.08036	0.3
125.09617	0.3
129.06931	0.5
131.08522	0.3
133.06422	0.2
147.08104	0.2
151.07529	0.4
152.04643	0.5
159.07991	0.2
161.05952	0.7
163.11131	0.2
167.03397	1.1
171.08022	0.3
173.09607	0.3
175.07471	0.2
180.04118	0.6
193.12267	0.3
195.06386	0.2
231.13907	0.2
253.08852	0.2
255.06447	0.5
268.97055	0.2
269.08167	0.9
270.08871	1.7
273.14914	0.2
281.07999	0.7
283.06070	1.1
289.14203	0.3
297.07596	8.9
298.08359	26.3
299.08636	0.5
313.10684	100.0
314.11032	2.2
339.22568	0.2
365.21100	0.5
383.22244	2.1
393.72720	0.2
401.23282	0.8
421.23520	0.2
439.24924	0.5
457.25879	1.6
475.16019	7.9
475.26489	2.4
476.16348	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	475.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
53.21539	1.2
55.01875	10.7
55.05259	2.2
55.05515	26.1
57.02811	1.7
57.03442	9.1
63.32458	1.6
65.03941	3.6
67.05505	47.0
69.01610	1.5
69.03425	3.0
69.07072	10.2
69.39057	11.2
71.04983	3.4
79.05500	40.9
79.66727	1.4
81.03421	50.3
81.07064	33.1
83.01344	1.9
83.04985	14.5
83.08615	13.7
85.02901	2.1
85.06507	2.4
88.78842	1.6
91.04960	2.5
91.05486	35.2
93.07048	29.5
95.04974	24.6
95.08607	18.1
97.02873	3.3
97.06520	5.6
97.10165	12.8
98.20832	4.0
99.08083	2.1
103.05473	2.1
105.04484	2.3
105.07034	23.8
107.04963	28.4
107.08604	16.5
109.02882	4.2
109.06516	8.6
109.10162	18.0
109.64854	1.4
111.04447	5.6
111.08086	5.5
111.30145	1.4
115.05461	3.2
117.07018	12.6
119.04906	2.4
119.08589	16.8
121.02881	9.6
121.06516	11.0
121.10114	6.9
123.04459	5.4
123.08079	5.6
123.11700	1.9
125.02328	2.0
125.09615	13.2
128.06250	2.2
129.07013	14.0
131.04918	5.7
131.08562	13.9
133.06514	8.0
133.10136	9.3
135.04393	6.6
135.08075	5.7
135.11694	9.1
137.05989	3.1
137.09616	2.6
141.07011	4.9
141.09142	1.5
142.07782	1.8
143.08554	6.6
145.06483	9.8
145.10118	12.1
145.68149	1.5
147.04425	3.6
147.08080	9.6
147.11674	5.2
149.06027	2.2
149.09641	5.3
151.07504	2.4
151.11191	1.5
153.09091	1.6
153.12718	7.4
155.08537	5.4
155.10623	1.5
157.06479	3.2
157.10164	6.7
159.08051	3.6
159.11726	4.5
160.05212	1.5
161.05995	8.5
161.09648	4.9
163.11195	13.3
165.09056	2.0
167.07025	4.0
167.08492	2.0
169.10167	3.7
171.08034	3.6
171.11676	2.5
173.06024	2.2
173.09673	5.4
173.11726	1.8
173.13278	2.2
175.07570	2.4
175.11188	5.2
181.12256	3.1
183.11748	4.6
185.09564	2.1
185.13293	3.0
187.07501	1.8
187.11176	3.3
187.15199	1.6
189.09201	2.0
189.11206	4.2
189.12782	1.7
191.10689	7.9
193.10297	2.6
193.12254	13.8
197.09689	2.3
201.12717	3.6
203.10672	1.5
203.14365	2.9
205.12286	1.5
207.11745	1.8
207.13602	1.7
209.11742	10.1
211.11316	3.5
211.13245	3.5
213.12781	4.0
215.10629	1.6
219.13788	4.2
225.12570	2.0
225.29895	1.6
227.12695	15.9
229.12283	4.0
231.13835	5.4
243.13841	2.4
247.13301	30.6
249.14877	4.8
265.14371	8.1
267.15970	2.9
271.13351	3.8
273.14853	1.8
287.16483	2.1
289.14346	6.7
303.15900	2.8
337.21634	3.1
347.20056	1.8
355.22772	6.1
365.21158	11.5
373.23785	2.0
383.22144	42.2
401.23126	18.1
403.23569	1.6
407.24188	1.7
419.23898	3.0
420.08023	1.5
421.23813	3.0
431.24335	3.0
439.24805	4.0
457.25778	24.3
458.26065	2.0
475.26901	100.0
476.27505	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	473.3625
Annotation	Hispidone
Peak:m/z	Relative Intensity
53.03933	12.6
54.49319	3.8
55.01861	7.0
55.05513	31.2
57.03413	6.3
57.07065	8.2
60.10463	3.6
65.03925	4.4
67.05181	5.1
67.05510	61.7
67.71341	3.4
69.03399	4.5
69.07064	21.0
69.67395	25.6
79.05072	6.3
79.05500	79.2
81.03419	100.0
81.03903	5.8
81.07063	69.4
83.05000	21.4
83.08626	35.7
91.05482	68.5
93.07043	76.0
95.04957	43.6
95.08043	6.1
95.08611	80.7
97.06524	5.8
97.10143	11.8
98.20914	9.9
98.21465	4.4
104.22722	4.1
105.07031	64.0
105.20271	3.7
107.04914	7.8
107.08597	56.9
109.06503	12.2
109.10153	35.1
111.08086	6.8
117.07023	14.1
119.08588	92.5
121.06462	7.2
121.10151	47.1
123.08044	8.8
123.11700	18.7
129.07051	19.8
131.08598	28.1
133.10143	47.1
135.08031	6.9
135.11736	28.1
137.09639	5.5
137.13254	6.9
143.08521	12.5
145.10150	35.1
147.08051	10.5
147.11674	54.0
149.09665	10.0
149.13263	28.2
151.07513	6.3
151.11189	6.6
153.09169	5.0
157.10141	9.2
159.11670	22.8
161.09610	5.5
161.13275	38.3
163.07541	6.1
163.11145	8.7
163.14815	16.7
171.11676	32.0
173.13232	17.3
175.11166	10.5
175.14841	14.6
177.16388	17.9
187.14883	21.4
189.12721	8.7
189.16388	54.8
191.17950	40.8
193.12302	27.6
193.13788	4.3
201.16360	17.2
203.14291	5.6
203.17947	32.9
205.15952	11.8
205.19522	5.7
207.13795	18.7
207.17459	24.9
215.17967	8.4
217.19533	8.2
219.17468	7.3
229.15979	6.5
229.19513	5.4
247.16859	7.2
249.14755	5.6
249.18517	9.1
319.31317	4.0
397.34485	6.4
409.34613	40.4
427.35776	16.2
437.34039	12.5
455.35110	17.1
473.28705	61.7
473.35062	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Odoratone
Peak:m/z	Relative Intensity
55.05494	25.0
56.01757	7.3
57.07074	11.4
59.04963	6.2
67.05508	43.4
69.06711	5.5
69.07060	35.8
69.55721	13.9
69.56130	28.1
77.36183	6.4
79.05476	26.8
81.03413	10.2
81.07066	76.3
83.08601	16.7
91.05467	38.9
93.07053	61.6
95.04981	13.7
95.08607	100.0
97.06506	9.0
97.10162	8.5
98.20737	12.8
98.21314	19.5
105.07048	62.7
107.08608	97.0
109.06540	11.9
109.10156	56.6
111.08073	12.3
117.07005	10.0
119.08590	85.5
121.06515	11.6
121.10159	51.5
123.08121	17.0
123.11708	24.6
125.09593	7.8
129.07051	7.4
131.08592	33.2
133.10124	63.3
135.08032	10.4
135.11691	41.2
137.09586	31.3
139.07494	14.4
145.10115	40.1
147.11671	50.2
147.49530	7.9
147.50679	7.8
149.13263	20.2
151.07545	24.4
151.11176	6.6
157.10138	10.8
159.11743	43.4
161.09657	8.5
161.13277	30.9
163.11169	7.1
163.14842	26.7
171.11752	9.2
173.09613	8.6
173.13220	20.4
175.07530	7.0
175.14870	23.9
177.09103	25.3
177.16389	9.4
185.13202	8.2
187.14838	39.4
189.12740	8.2
189.16354	25.2
191.10670	10.1
191.14211	12.2
191.17993	72.9
193.08592	10.0
201.16383	64.4
203.18005	34.5
205.15799	10.0
205.19496	10.2
207.17508	12.7
213.16344	7.0
215.17896	15.4
219.17427	12.0
222.87267	7.1
223.58864	6.7
229.19591	7.0
241.19563	7.8
247.16943	43.9
289.64722	7.8
292.77139	6.7
317.24673	14.1
386.35562	7.3
391.33746	12.7
409.34656	26.0
413.30301	11.7
437.29922	13.8
437.35022	11.1
455.31143	69.4
473.33249	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	474.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83286	1.0
55.01881	1.1
55.05524	6.5
57.03440	7.7
57.07079	7.8
59.04988	2.2
69.03434	25.2
71.57735	1.6
73.02902	1.4
73.06552	2.4
79.05479	2.2
81.03411	2.8
81.07069	1.8
83.04977	1.7
83.08591	2.5
85.02904	16.4
87.04483	15.6
89.06032	20.1
91.05460	2.4
93.07040	3.4
95.04959	1.4
97.02892	22.0
98.20979	1.5
101.09660	9.4
102.93747	1.3
103.03951	1.1
105.07069	2.8
106.39693	1.1
107.04966	1.6
107.06392	1.4
107.07077	25.8
107.08588	4.9
109.02859	2.3
111.04451	1.3
115.03925	20.1
119.04904	1.1
119.08562	3.5
120.28564	1.1
121.10136	2.7
123.47101	1.3
127.03896	3.7
128.61627	1.1
131.08551	2.4
133.04971	20.0
145.04919	1.9
147.08064	2.5
149.05890	1.2
149.09612	3.0
153.01820	3.0
163.07532	1.2
163.13301	100.0
165.09114	3.1
167.07104	1.9
177.09091	1.7
187.32507	1.0
195.10222	2.1
210.42770	1.2
213.09285	1.7
213.11200	13.6
229.12010	1.1
229.65465	1.1
231.06602	1.9
474.20004	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03942	1.0
55.05516	3.5
57.07074	1.4
65.03922	0.6
67.05510	4.6
69.03452	0.6
69.07070	4.3
71.04984	0.6
71.08643	0.5
79.05492	5.0
81.07065	12.2
83.08631	3.1
85.06554	0.5
91.05475	5.3
92.56725	0.5
93.07046	11.6
95.04971	1.0
95.08611	16.2
96.08939	0.5
97.06532	1.9
97.10181	1.4
98.16248	0.5
99.54768	0.4
105.07034	10.4
107.08603	19.5
109.06507	1.5
109.10162	10.4
111.08075	1.3
112.40353	0.5
117.07016	2.0
119.08584	16.8
120.09076	0.4
121.10149	9.9
123.08072	3.6
123.11703	5.5
125.09643	1.0
131.08574	4.5
133.10130	15.4
135.08058	0.9
135.11703	13.5
137.09616	0.8
137.13269	1.8
139.07567	0.4
139.11232	0.9
143.08568	1.4
145.10130	9.0
147.11697	10.3
147.12779	0.8
149.09633	1.2
149.13257	6.3
151.11182	2.1
157.10176	2.3
159.11694	8.0
161.13243	6.4
163.07602	0.6
163.14830	5.3
165.09145	0.8
165.12764	0.6
171.11722	1.9
173.13313	5.3
175.14828	5.7
177.09236	0.7
177.12769	0.5
177.16379	2.9
179.14304	0.5
185.13336	2.6
187.11108	0.6
187.14828	8.6
189.16386	14.3
191.14444	0.5
191.17918	2.7
193.15752	0.8
199.14841	2.1
201.16386	19.5
202.16724	0.7
203.14206	0.5
203.17967	9.7
205.15858	6.7
207.17441	13.3
211.14870	1.0
213.16420	2.4
215.17937	5.2
217.16055	0.7
217.19511	1.8
219.17413	2.5
221.15381	1.0
221.19022	1.2
225.16492	0.7
227.17918	1.3
229.19522	2.6
233.15442	1.0
233.19128	0.7
235.16809	0.6
241.19574	1.7
243.21155	2.0
247.16908	7.1
249.18584	0.6
251.16400	0.6
253.19608	0.5
255.21088	6.8
257.22656	1.9
269.22626	3.0
275.20151	0.9
281.22629	0.9
287.20181	1.1
291.23035	0.5
295.24246	0.6
299.20279	0.7
301.21677	2.9
303.23178	1.4
315.23221	2.2
331.26328	5.0
357.27847	4.5
366.85861	0.6
391.33527	2.2
409.34674	5.6
419.33063	0.8
427.35736	100.0
428.36057	2.8
437.34158	7.0
455.35461	4.6
473.37064	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
52.71455	4.6
53.72580	5.2
55.05503	12.5
58.09988	4.6
58.83377	5.2
67.05495	18.5
69.07072	13.9
69.74705	29.8
70.56156	4.8
78.23351	5.2
79.05498	16.4
81.07063	33.2
83.08612	12.5
91.05469	12.0
93.07052	23.3
95.08607	65.2
95.38428	5.3
98.20988	16.6
100.59456	4.8
105.07044	27.7
107.08598	52.0
109.06484	6.4
109.10124	30.8
110.26048	5.0
119.08595	51.8
121.10148	43.6
123.11685	16.6
131.08574	9.9
133.10135	29.2
135.11688	25.1
145.10129	20.3
147.11702	29.6
149.13190	23.6
159.11693	12.6
160.12317	5.4
161.13263	16.0
163.11115	6.7
163.14836	15.7
166.43289	5.7
169.18900	4.7
171.11658	5.6
173.13229	8.1
175.14792	23.4
177.16447	29.1
187.14806	29.3
189.16386	47.3
191.17995	17.2
201.16370	9.6
203.17957	100.0
203.19754	8.2
205.15871	42.1
205.19479	10.9
207.17514	15.1
223.16849	6.4
249.18486	13.7
276.21399	5.0
308.78705	5.0
409.34683	91.9
411.35818	8.5
427.35797	10.5
437.34113	22.6
455.35492	10.5
473.35550	29.9
494.50150	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.02607	6.1
52.39601	6.1
55.05506	28.1
55.83975	5.9
65.31419	6.2
67.05501	28.1
69.07079	37.0
69.50561	34.1
79.05502	26.5
81.07062	62.1
83.08610	29.6
91.05476	23.2
93.07043	56.9
95.08611	100.0
98.21112	26.9
99.08096	21.0
105.06999	36.0
107.08596	81.0
109.06544	15.2
109.10155	66.7
111.08086	18.6
116.12476	5.7
117.07039	7.2
119.08577	65.5
121.06525	11.1
121.10146	89.3
123.08059	19.4
123.11701	26.1
125.09631	15.4
131.08597	23.6
133.10150	54.1
135.11662	51.8
137.09689	10.0
137.13271	11.7
140.39299	6.4
143.08618	15.8
145.10135	27.6
147.11688	53.5
147.44376	6.1
149.09581	10.1
149.13263	31.9
156.09369	9.1
157.10127	10.4
159.11713	25.3
161.13246	49.3
163.11125	7.9
163.14801	10.3
167.10622	7.2
171.11781	12.1
173.13258	35.7
175.14792	30.6
177.12799	13.2
177.16302	7.9
179.14302	10.9
183.11848	7.1
185.13254	14.8
187.14882	21.0
189.12759	8.1
189.16394	27.2
191.14294	29.6
193.15913	14.0
195.13799	7.5
201.16501	11.0
203.17986	16.9
205.15938	7.4
207.17456	12.4
209.15379	23.8
213.16473	12.1
215.17995	9.8
220.92087	6.0
223.17009	6.6
231.17392	31.8
233.15424	10.3
237.18573	9.2
241.19582	13.7
244.16055	6.0
249.18533	27.5
255.20976	8.8
267.19604	34.5
290.75345	8.2
325.89252	6.9
373.14124	7.9
387.15955	11.1
397.30841	8.3
401.17816	9.4
417.20837	8.4
437.34030	33.3
445.20178	9.5
455.35349	41.5
464.30945	6.5
473.18817	47.8
473.36032	72.2
474.20236	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	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.05458	5.8
51.33969	5.6
52.81981	5.9
54.88257	5.4
55.05506	8.4
69.07079	11.9
69.28210	5.7
69.81790	18.8
69.82201	13.3
76.07291	5.6
81.07066	18.8
91.70780	6.6
93.07051	18.7
95.08617	35.4
95.93950	6.2
98.20834	9.0
98.21399	9.9
105.07040	21.4
107.08595	50.6
109.10160	22.4
119.07887	5.5
119.08581	34.5
121.10159	27.5
126.27901	5.6
131.08572	11.9
133.10124	26.1
135.11659	17.2
145.10110	16.5
147.11699	14.3
149.13274	14.9
159.11690	8.2
161.13277	11.0
163.11195	15.6
163.14827	10.8
173.13193	8.5
175.14847	17.6
177.16405	24.3
187.14845	20.9
189.16374	62.2
201.16382	8.7
203.18010	30.8
205.15868	100.0
205.19438	7.6
207.17480	22.4
215.17743	7.3
231.17642	6.4
249.18375	6.8
313.25330	6.8
351.56546	5.9
409.34634	48.8
427.35583	22.1
437.34277	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	473.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
53.03952	10.8
55.01872	4.6
55.05269	1.5
55.05517	22.5
57.03426	4.1
65.03943	4.3
67.05511	55.6
69.03426	3.0
69.07079	9.5
70.81951	2.6
71.04987	2.8
73.06555	1.4
77.03928	1.3
79.05499	71.7
81.03423	100.0
81.07063	38.9
83.04540	1.4
83.04987	15.3
83.08624	19.4
85.06534	2.6
91.05489	62.1
92.47147	0.9
93.07052	47.7
95.04974	39.6
95.08614	22.9
96.95448	0.8
97.02899	3.3
97.06557	4.6
97.10191	4.5
103.05431	2.3
105.04535	2.2
105.07035	46.3
106.07353	1.0
106.77724	1.0
107.04962	12.8
107.08604	15.6
109.06531	7.1
109.10169	4.9
111.04434	1.5
111.08092	7.5
115.05457	3.5
117.07032	9.9
119.04931	1.4
119.08590	29.6
121.06528	4.8
121.10137	8.9
123.08080	5.4
123.11697	1.0
125.09679	1.3
127.07580	1.4
128.06178	4.3
129.07021	20.8
131.08571	11.2
132.47223	1.0
133.06503	4.2
133.10115	10.8
135.08052	1.1
135.11678	1.5
137.09630	1.4
141.06984	1.3
142.07790	3.9
143.08568	9.1
145.06468	2.1
145.10141	9.6
147.08098	4.7
147.11699	31.9
149.09598	4.9
155.08591	2.0
157.06583	1.3
157.10126	11.0
159.08139	0.9
159.11682	1.0
161.09644	4.0
161.13258	8.8
163.11249	1.0
165.12811	2.6
169.10165	1.2
171.08105	1.6
171.11710	20.7
175.11221	9.0
189.12738	9.1
193.12260	27.8
195.11729	0.9
207.11902	1.6
207.13820	19.4
213.39345	0.9
225.14873	2.2
229.16057	2.0
231.13904	1.1
249.14836	5.9
267.16000	1.1
281.17615	2.0
289.63004	1.0
334.56857	1.0
363.23251	1.5
381.24344	2.6
399.25415	2.1
455.27844	2.0
473.29013	67.0
474.29376	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	473.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.3
57.07074	6.8
57.61086	4.1
59.05003	21.8
67.05495	18.2
69.03421	18.2
69.07082	4.6
70.82185	5.7
71.04957	4.4
74.45687	3.9
81.03424	9.9
81.07057	11.2
82.12796	3.8
83.04971	7.9
85.02913	23.7
85.06524	6.6
87.04462	7.4
91.05466	7.6
93.07030	12.6
95.02438	5.8
95.05001	5.3
95.08614	77.5
97.02893	15.5
105.05486	11.0
105.07018	10.0
107.08596	14.9
109.02875	5.1
109.06490	5.1
109.10219	6.1
113.03519	22.8
113.05983	10.0
113.40089	4.8
119.08598	19.8
121.06532	7.3
121.10155	11.1
123.08077	30.5
127.03909	16.4
133.10139	6.7
135.11697	13.5
137.09599	15.8
147.08018	8.3
147.11659	13.0
149.09621	87.5
151.07533	6.3
161.13213	6.7
163.11122	7.5
165.12749	6.8
167.07074	5.0
171.11653	4.7
174.10356	6.7
189.12752	31.5
192.99457	4.0
207.13800	100.0
211.10806	45.1
256.47794	5.6
335.33713	4.3
473.18921	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	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01852	2.4
55.05515	14.6
57.03448	2.3
57.07069	3.7
67.05511	25.0
69.03436	12.9
69.07069	19.0
69.34263	14.3
71.04983	6.5
73.06557	14.4
79.05487	10.5
81.03410	7.1
81.07060	33.7
83.04989	14.4
83.08614	6.6
83.34832	1.6
85.02917	11.2
85.06534	6.3
91.05476	7.5
93.07045	17.8
95.04965	5.8
95.08609	42.6
97.02883	5.1
97.06545	3.1
97.10173	3.4
98.21109	8.1
99.04469	2.2
99.08086	4.2
101.06009	4.0
105.07023	16.9
107.04942	3.3
107.08604	33.1
109.02898	4.5
109.06520	11.0
109.10159	99.1
111.08073	5.2
111.11660	2.2
117.06996	3.2
119.08587	46.2
119.09439	2.7
121.06516	4.4
121.10146	18.6
123.04460	2.0
123.08101	12.9
123.11729	15.0
125.09634	4.4
127.03930	7.8
131.08557	5.3
133.10141	26.0
135.08139	1.9
135.11699	100.0
137.06023	3.5
137.09616	19.0
139.11148	3.1
139.57503	2.0
143.08533	2.2
145.04961	3.5
145.10123	6.0
147.11659	4.6
149.09631	6.2
149.13313	9.0
151.07553	16.9
151.11194	9.5
151.14841	10.5
153.12735	3.2
155.08493	2.1
157.10155	2.4
159.11708	6.1
161.09581	4.5
161.13193	2.8
163.07538	2.5
163.11215	2.8
165.09116	42.3
165.16397	2.6
167.07072	5.2
173.09608	2.9
173.13271	3.2
175.07539	2.5
175.11151	2.5
175.14825	40.5
179.14223	1.7
189.09190	2.7
191.10695	4.7
193.15891	61.8
197.11655	2.5
207.13866	3.0
211.16951	67.9
219.13847	2.8
225.14877	3.3
392.27844	1.8
473.26630	4.4
473.33673	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
53.03953	11.7
55.01880	5.6
55.05514	23.6
57.03430	4.8
59.05006	1.4
65.03944	4.8
67.05508	52.3
69.03432	3.9
69.07067	13.4
70.59689	2.2
70.60022	1.3
71.01328	1.1
71.04993	4.4
73.06575	1.2
76.30812	0.9
77.03951	1.5
79.05494	69.1
81.03420	100.0
81.06577	2.3
81.07057	43.3
83.04985	12.6
83.08627	22.3
85.06516	2.0
91.05483	68.6
92.05808	1.0
93.07046	56.1
95.04975	41.8
95.08608	25.6
97.02903	2.9
97.06530	5.3
97.10172	3.6
98.21062	1.8
99.08096	1.2
103.05434	2.1
103.70667	1.0
105.04537	3.0
105.07034	49.0
107.04942	9.7
107.08598	18.2
108.34100	0.9
109.06512	9.4
109.10165	5.7
111.04431	2.4
111.08080	9.0
115.05461	4.2
115.48102	0.9
115.90870	0.9
117.07042	11.0
119.04961	1.8
119.08584	30.8
120.53507	0.9
121.06523	6.9
121.10147	9.8
123.08090	6.4
123.11718	2.4
125.09643	2.9
127.07574	1.4
127.31004	1.1
128.06233	3.8
129.07011	26.4
131.04872	1.2
131.08568	13.3
133.06500	4.9
133.10126	13.4
135.08060	2.5
135.11676	3.2
137.09641	3.6
139.07579	1.0
141.07007	1.8
142.07814	4.3
143.08597	9.0
145.06516	1.9
145.10120	11.3
147.08043	7.3
147.11688	31.9
149.09584	5.4
151.07521	1.8
151.11107	0.9
155.08638	2.1
157.06581	1.0
157.10149	10.5
159.08075	2.1
159.11731	3.1
161.09674	5.1
161.13271	7.8
163.11218	4.2
163.14914	1.3
165.09106	5.8
165.12810	2.3
167.07112	6.2
167.08508	1.5
169.10210	2.0
171.08229	1.3
171.11694	21.4
171.13115	1.3
173.13274	1.5
175.11197	8.0
175.15002	0.9
177.09166	1.1
178.32210	0.9
183.11815	1.3
185.13284	1.5
189.09171	1.9
189.11223	1.8
189.12717	9.5
193.12253	28.4
195.11671	1.3
197.13321	1.4
199.11266	1.0
205.12230	1.1
207.10297	1.7
207.13831	19.8
213.12814	1.5
225.14908	3.5
229.15897	1.6
249.14946	3.8
324.15213	1.1
363.23273	2.1
381.24316	3.1
399.25443	2.2
417.25864	1.2
455.27875	2.4
473.29056	61.3
474.29361	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	472.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01870	11.8
57.07060	6.1
65.03931	5.7
67.05500	6.3
69.03439	10.0
69.07056	7.8
70.02948	7.1
71.57452	2.0
72.04517	24.8
73.02927	12.7
73.51312	2.3
74.02475	2.7
81.03421	20.0
83.04982	9.2
85.02905	10.9
85.06555	10.2
86.09697	4.6
88.03935	2.0
90.05043	2.4
90.05562	30.9
91.05485	87.3
95.04989	9.8
96.08109	2.3
97.02895	8.6
98.02419	16.6
98.21066	3.1
99.04431	6.3
100.03989	6.9
103.07589	3.1
105.07021	3.3
109.02907	25.2
112.07641	2.8
113.06014	5.6
116.03462	17.5
124.06815	3.1
124.07614	26.0
127.03951	12.8
130.10632	1.9
132.06569	11.3
135.50545	2.4
138.05493	3.2
142.08661	14.5
145.04913	3.2
153.01828	8.7
154.02144	5.2
160.09702	6.4
166.08592	4.4
172.09683	4.0
174.11282	3.1
178.05022	2.5
184.09698	33.6
198.07596	5.7
199.06064	8.0
202.10762	100.0
211.09596	12.9
216.08723	5.1
217.07057	5.5
220.11801	29.3
230.10213	12.8
234.09758	11.3
241.45139	2.4
244.11833	4.3
262.12839	21.0
310.12842	10.3
310.16183	2.9
319.04520	2.4
320.04727	6.8
328.10138	3.7
328.13934	52.3
346.15106	12.7
364.16046	22.2
373.34598	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	472.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40173	3.2
62.32380	3.0
67.05482	9.3
69.07057	4.0
69.33778	28.7
71.04994	25.1
73.39915	2.9
73.81998	3.0
79.05476	5.1
81.07053	14.6
91.05481	8.7
93.07058	6.2
95.08613	24.4
98.20767	5.2
98.21417	9.0
98.75352	3.0
105.07030	8.0
107.08589	8.8
109.10160	12.3
119.08594	22.3
121.10152	6.5
123.11713	4.6
127.11196	100.0
133.10126	5.8
135.11708	3.4
142.12793	3.4
143.08586	4.3
145.10126	12.9
147.08055	43.2
147.11736	8.2
151.14868	6.9
159.08078	12.7
161.09650	5.8
177.16394	8.9
203.17929	28.1
233.15384	8.6
247.16939	3.8
273.18423	7.4
285.18506	25.4
287.19989	9.5
299.19971	5.8
313.21649	9.1
437.34128	46.8
472.22079	4.0
472.29999	5.2
489.35837	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	471.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.3
55.01857	3.9
55.05517	24.3
57.07061	12.0
67.05498	35.1
69.03420	14.9
69.07066	33.3
71.58023	5.7
73.02916	5.7
79.05505	26.0
81.07063	61.6
83.04971	18.2
83.08636	19.3
85.02889	11.7
85.06549	8.4
91.05482	33.7
93.07049	50.8
95.04958	9.1
95.08603	100.0
97.02868	5.6
97.06522	7.3
97.10156	10.3
99.04465	3.8
105.07030	61.9
107.04926	5.2
107.08601	86.9
109.06504	9.7
109.10152	51.4
111.04420	4.8
111.08083	10.9
113.39902	4.3
115.05476	4.8
117.07022	16.6
119.08584	91.6
121.06478	8.3
121.10152	56.6
123.08073	11.3
123.11700	26.8
125.05974	6.8
125.09595	5.9
127.03916	6.3
127.07528	4.9
129.06952	6.4
131.08583	26.5
133.06471	6.2
133.09233	6.1
133.10147	58.2
135.08046	9.3
135.11722	39.5
137.05972	6.0
137.09602	8.5
137.13217	9.3
142.07722	5.5
143.08572	22.2
144.09279	4.8
145.06448	5.9
145.10135	66.8
147.08185	7.2
147.11690	38.2
149.09608	9.7
149.13290	19.6
151.07536	11.5
151.11119	4.8
153.01857	8.0
156.09312	4.4
157.10182	21.1
159.11713	63.9
161.09631	5.7
161.13258	33.8
163.11201	11.1
163.14803	13.2
165.09149	24.5
165.12727	6.4
167.06976	5.7
169.10139	9.1
171.11671	36.0
173.09674	5.0
173.13237	30.0
175.11185	4.7
175.14804	25.6
177.09085	9.5
177.12738	15.0
177.16373	17.1
181.15150	4.4
183.11707	7.5
185.13239	21.9
187.11147	6.5
187.14828	58.2
189.12772	4.8
189.16380	22.6
191.14311	6.8
191.17961	8.9
192.00648	5.0
195.13794	8.1
197.13208	5.5
199.14812	12.7
201.16420	37.9
203.17900	14.3
205.15852	35.5
211.14903	5.5
213.16396	14.2
215.10704	4.5
215.17920	19.2
217.15794	6.1
217.19592	7.9
219.17432	8.1
223.16902	11.7
227.17853	8.9
229.16031	5.7
229.19498	16.2
241.19543	55.3
243.21182	8.2
247.17076	21.3
255.21152	13.5
261.18582	12.6
273.18137	4.9
275.19995	11.3
287.20084	82.2
291.26715	12.0
301.21576	9.5
327.13141	4.4
389.31931	13.1
391.69604	4.2
400.43277	4.2
407.32922	25.0
425.34265	35.8
435.32745	21.6
453.33920	8.0
471.34488	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	472.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96993	0.4
57.98797	1.0
58.99588	16.5
61.02935	0.5
69.03429	1.5
69.78309	0.7
69.78720	1.9
70.06591	0.5
73.02910	0.4
75.92448	0.4
76.02215	0.4
79.20260	0.3
81.03417	0.7
82.58086	0.3
85.02910	1.7
86.99060	10.9
87.04464	0.7
97.02893	1.6
98.21285	1.2
100.02210	67.2
105.00098	18.1
105.07016	0.5
109.02871	0.9
110.06055	0.7
119.08584	1.5
127.03983	0.5
131.08572	0.8
138.05482	0.6
140.07054	1.0
144.01184	0.7
146.02716	80.2
147.03026	0.4
147.11700	1.3
153.01866	2.2
158.08147	0.8
166.72906	0.5
170.02748	0.8
205.10271	0.4
205.40694	0.4
234.25604	0.4
238.19807	0.4
292.13770	2.2
310.14755	4.2
380.01086	1.2
405.94620	0.4
408.00717	0.9
426.19675	0.4
454.01013	1.8
472.02307	2.3
472.20044	100.0
473.20483	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	471.3469
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05504	14.7
57.07069	7.5
59.05011	3.8
65.20521	3.0
65.73338	3.8
67.05505	20.4
69.03427	5.5
69.07066	22.8
69.82253	19.8
71.04983	3.6
75.40543	3.2
77.97598	3.0
79.05479	10.2
81.03407	5.8
81.07056	36.6
83.04980	3.7
83.08614	10.3
91.05491	22.9
93.07053	36.8
95.04975	5.1
95.08613	53.1
97.10144	3.7
99.08104	3.5
105.07046	45.4
107.08607	51.0
109.06505	6.7
109.10162	39.0
109.50537	3.3
111.08071	5.8
117.07047	7.6
119.08593	77.1
121.06486	3.3
121.10152	51.0
123.08072	7.6
123.11716	14.2
129.07033	4.0
131.08585	16.1
133.10132	61.3
135.08052	7.6
135.11714	25.6
137.09599	6.2
137.13229	6.3
140.26942	3.1
143.08598	7.8
145.10129	29.8
147.11710	47.8
149.09608	7.2
149.13274	22.6
151.11125	5.3
153.09024	5.6
153.36911	4.3
157.10117	10.2
158.11006	3.9
159.11679	29.3
161.09656	6.3
161.13249	23.0
163.11162	9.0
163.14850	22.2
165.09186	3.9
165.12894	3.6
169.10159	5.5
171.11659	10.0
173.13284	19.7
174.14177	5.0
175.11073	5.2
175.14821	48.2
177.16414	31.2
181.12213	4.5
183.11722	5.6
185.13286	8.6
187.11131	4.7
187.14822	31.7
189.16402	100.0
191.17963	16.3
193.15833	4.6
199.14801	9.5
201.16403	21.2
203.14294	8.5
203.17981	60.8
205.15852	8.4
207.17445	7.0
213.16301	6.2
215.17934	3.7
217.15959	23.6
217.19466	5.8
219.17401	10.1
221.15314	7.4
227.18004	5.4
229.19647	4.7
231.17407	9.8
233.15465	4.0
233.19035	5.1
235.16965	43.3
243.21159	3.7
245.19060	7.2
247.16931	5.4
249.18523	7.2
263.20230	6.0
269.12296	6.1
281.22696	3.4
318.15579	4.1
389.32022	6.5
407.33157	35.4
425.34232	78.2
435.33029	20.8
453.33942	36.2
471.35345	32.4
499.04956	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	471.347
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
53.03944	3.4
55.05515	17.1
57.03428	5.6
57.07076	5.7
60.91113	2.8
67.05514	25.2
69.03439	7.2
69.07076	25.5
69.92328	14.9
71.04982	4.1
79.05505	19.4
81.03445	5.0
81.07067	65.6
83.04983	10.5
83.08616	8.5
85.02902	6.1
85.06509	3.5
91.05470	34.1
93.07041	48.3
95.04977	7.2
95.08617	100.0
95.09229	4.7
97.06553	4.1
97.10163	7.1
98.21004	8.6
105.07036	57.4
107.08605	77.9
109.06506	8.3
109.10170	57.4
111.08108	7.8
117.07014	15.1
119.08591	71.9
121.06519	5.6
121.10170	48.4
123.08089	5.6
123.11739	16.5
125.09644	11.5
127.03869	4.2
129.07043	4.8
131.08571	45.8
133.10133	59.8
133.45302	3.4
135.08044	9.6
135.11723	20.6
137.05997	5.5
137.09535	5.5
137.13254	5.0
142.07739	3.5
143.08583	19.7
145.10146	62.7
147.08104	3.4
147.11694	49.2
149.09612	7.9
149.13258	24.0
151.07544	7.1
155.08632	2.8
156.09325	3.1
157.10133	20.1
159.11719	53.4
161.09636	9.6
161.13283	29.3
163.11232	5.2
163.14844	22.7
165.09116	14.2
170.11089	3.2
171.11668	13.9
173.09584	4.7
173.13264	43.0
175.11209	3.8
175.14847	43.1
177.12714	6.5
177.16400	41.2
179.10709	4.1
181.20857	3.2
183.11682	4.3
184.12524	3.7
185.13263	15.0
187.14830	51.3
189.12805	5.2
189.16406	32.0
191.14349	45.0
191.17958	13.0
197.13203	4.1
199.14848	21.1
201.12643	3.6
201.16391	46.7
203.14339	25.5
203.17961	76.2
205.15901	50.8
205.19453	5.9
207.17418	5.0
211.14764	4.3
213.16357	27.6
215.17955	12.7
217.15964	7.4
217.19514	7.1
219.17444	13.0
221.15321	18.7
223.16913	3.8
227.17976	8.5
229.15947	4.6
229.19476	6.6
231.17438	14.2
235.16855	4.3
247.16960	10.4
249.18495	12.6
291.26831	6.7
301.21722	3.3
327.23227	4.4
338.33734	3.3
377.31964	5.3
389.31970	9.0
395.33090	6.9
407.33078	36.4
423.32361	11.3
425.28351	3.7
425.34048	29.1
435.32611	24.3
443.34943	3.3
453.33759	52.8
471.16177	4.3
471.25262	3.5
471.34946	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	471.3472
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
55.05501	15.2
57.07067	7.2
67.05508	24.9
69.07069	25.1
69.51914	25.4
79.05480	17.1
79.10605	4.2
81.07063	69.5
83.08602	12.5
91.05465	18.9
93.07049	27.7
95.04940	5.5
95.08613	100.0
98.20890	10.7
105.07057	33.2
107.08605	55.1
109.10170	43.5
117.06981	11.2
119.08588	59.2
121.10152	44.1
123.08049	6.7
123.11707	35.5
125.09673	4.9
131.08553	21.2
133.10130	39.4
135.08049	5.5
135.11682	21.5
137.09576	4.3
137.13234	29.2
142.07759	4.7
143.08585	6.0
143.14455	3.6
145.10129	38.7
147.11722	22.0
149.13257	14.1
157.10138	13.0
159.11725	33.9
161.13255	22.6
163.07561	5.8
163.14830	9.6
171.11719	17.0
173.13242	17.7
175.14810	30.0
177.09024	6.8
177.12796	5.3
177.16347	16.0
179.17860	4.2
183.11752	6.4
185.13200	6.0
187.14816	29.5
189.12732	4.1
189.16386	22.1
191.14311	5.5
191.17960	8.9
193.15857	4.8
199.14844	13.6
201.16347	35.2
203.14328	7.3
203.17990	12.4
205.15913	11.6
206.23340	4.3
211.14824	4.7
213.16347	17.4
215.17989	12.4
217.15910	7.5
217.19443	5.2
219.17476	15.0
223.16721	4.1
225.16426	5.2
227.17944	6.4
229.19553	7.7
231.17499	6.5
235.16887	6.0
247.16994	19.0
257.15308	4.1
259.17053	6.2
259.20648	4.2
261.18561	8.0
284.60254	4.3
301.21448	5.4
389.31973	6.9
406.78510	3.8
407.33029	20.8
425.34116	30.5
435.32642	30.0
437.34592	5.0
453.33905	8.8
471.35095	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05505	1.6
57.07069	1.0
67.05496	2.4
69.07050	2.3
69.96332	1.5
71.04983	0.4
79.05495	1.9
81.06634	0.5
81.07062	5.2
83.04983	2.5
83.08613	1.5
84.55384	0.4
85.06534	0.5
91.05481	1.6
93.07049	4.6
95.04945	1.3
95.08044	0.8
95.08610	10.9
97.06521	0.6
97.10175	0.7
98.21191	1.2
105.07029	7.8
107.08597	9.3
109.06515	0.7
109.10153	5.4
109.84501	0.4
111.08102	0.7
117.06993	0.8
119.08576	10.6
121.06574	0.5
121.10135	6.9
123.08077	1.1
123.11687	3.2
129.07024	0.7
131.08557	1.7
133.06471	0.4
133.10130	6.2
135.08086	1.2
135.11700	6.4
137.09654	0.6
137.13286	0.6
139.07552	0.6
139.11208	0.5
143.08560	1.7
145.10138	2.8
147.08043	1.2
147.11697	3.9
149.09630	1.3
149.13268	1.5
151.11157	0.8
153.09105	0.6
155.08504	1.3
157.10115	2.1
159.11699	2.0
161.09653	2.9
161.13229	2.4
163.11201	0.8
163.14795	1.4
169.10071	0.9
171.11693	2.3
173.06035	0.5
173.09753	0.7
173.13275	2.9
175.11179	1.3
175.14830	7.2
176.15292	0.5
177.16393	1.6
179.14372	0.8
183.11707	1.6
185.13213	0.8
187.11195	0.8
187.14865	2.1
189.12759	0.9
189.16376	12.4
191.17957	1.7
193.08688	0.5
197.13214	2.3
199.14813	3.9
199.88802	0.3
201.12793	1.0
201.16469	1.2
203.17935	0.5
207.17447	1.8
211.14879	1.2
213.16391	1.5
215.14348	1.6
215.18042	0.7
217.15878	5.9
227.17996	1.6
229.19572	0.8
235.16917	6.4
243.21153	0.9
245.18954	0.5
253.19362	2.0
257.18936	0.5
259.20676	0.5
267.21234	0.5
267.89609	0.5
271.20511	4.0
273.22211	0.6
295.56619	0.4
299.20316	0.5
301.21640	0.4
317.21094	1.3
407.33121	1.9
425.34134	7.2
435.32611	0.6
453.33575	0.5
471.34686	100.0
472.35101	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05514	14.6
57.07060	5.5
67.05511	16.8
69.07095	18.4
69.44419	2.5
69.50807	7.9
69.51229	13.8
75.31078	2.8
79.05495	11.0
81.07059	33.9
83.08615	9.2
91.05482	15.6
93.07045	30.2
95.04968	7.1
95.08616	60.1
97.06554	3.4
98.20771	6.5
98.21420	6.1
105.06380	5.2
105.07037	68.9
107.08607	45.7
109.06532	4.9
109.10171	29.7
109.56847	3.2
111.08067	7.0
117.03416	2.7
117.07040	3.7
119.08594	100.0
119.09449	4.8
121.10161	33.6
123.11709	11.9
131.08646	14.6
133.10136	46.0
135.08080	3.4
135.11702	33.1
143.08531	7.2
145.10081	14.4
146.59645	2.7
147.07993	3.5
147.11670	31.9
149.09695	3.3
149.13249	9.6
157.10152	7.6
159.11702	11.4
161.09570	3.6
161.13287	17.3
163.14827	9.7
169.10094	3.2
171.11722	7.0
173.13254	12.9
175.14839	44.7
177.05513	8.8
177.12782	3.2
177.16479	6.9
183.11653	4.9
185.13184	3.1
187.14850	9.9
189.12764	4.3
189.14745	6.0
189.16393	81.7
191.17938	34.3
193.15793	3.6
199.14813	5.7
201.12852	3.3
201.16412	5.2
203.14232	4.7
203.17973	9.5
205.15958	6.1
207.17427	24.7
209.19003	14.4
211.14906	4.0
215.17940	8.0
217.15887	10.5
219.17482	4.4
221.15433	8.3
229.19548	3.8
233.18990	7.8
235.16913	41.1
241.19402	4.1
257.19131	3.8
315.23145	2.9
331.22812	4.8
368.04578	3.1
407.33200	13.5
425.34213	45.0
435.32712	7.5
449.51318	3.2
453.33807	26.2
471.34879	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03944	1.9
55.05506	9.5
57.07077	3.0
67.05514	10.2
69.07067	13.2
69.78368	7.8
79.05501	9.5
81.07061	23.3
83.04980	4.4
83.08624	9.0
85.06555	1.9
91.05479	10.1
93.07048	19.4
95.04982	3.4
95.08604	32.9
97.06529	3.4
97.10175	3.1
98.20839	2.1
98.21358	2.0
99.08066	1.5
105.07037	21.0
107.08604	32.8
109.06524	4.4
109.10160	21.7
111.08076	2.5
117.07027	3.0
119.08590	41.1
121.06541	2.5
121.10159	22.8
123.08073	3.9
123.11719	9.0
131.08575	7.5
133.10136	24.5
135.08084	2.9
135.11696	21.8
137.09625	5.0
137.13333	1.6
143.08566	3.0
145.10136	11.1
147.07997	1.7
147.11716	18.2
149.09630	3.2
149.13269	10.0
151.07549	9.9
151.11163	2.3
154.31233	1.4
157.10181	3.7
159.11720	6.3
161.09712	2.3
161.13240	9.3
163.11324	2.1
163.14774	7.3
165.09174	3.2
166.09962	2.7
169.10147	2.2
171.11734	5.4
173.09731	1.3
173.13260	6.5
175.11180	2.9
175.14835	13.4
177.12643	1.8
177.16394	6.5
179.14304	1.4
185.13304	5.0
187.14842	10.4
189.16383	30.4
191.14406	4.1
191.17958	9.6
193.12245	1.9
193.15965	2.1
197.13344	1.8
199.14880	3.6
201.16473	1.8
203.14368	6.1
203.18005	7.2
205.15909	8.1
207.17455	15.0
209.15456	2.6
209.19066	1.8
213.16444	3.8
215.14430	1.6
215.18015	3.8
217.15968	5.0
217.19510	2.0
221.15439	5.4
221.19016	2.0
225.16856	1.6
231.17503	2.7
235.17043	8.2
243.17552	1.5
255.21140	1.9
263.16431	2.9
267.21106	1.9
269.22803	1.4
273.22061	2.0
285.22360	2.1
289.18369	1.5
301.21835	2.1
331.22647	2.9
345.27939	4.3
359.26007	2.1
359.59000	1.5
373.27353	2.3
374.28134	2.2
389.32153	2.2
407.33267	6.1
425.34067	9.3
435.32745	4.1
443.35226	100.0
444.35236	3.2
453.33771	9.7
471.28867	1.7
471.34793	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06783	4.9
55.05512	29.9
57.03423	7.0
57.07084	7.8
67.05496	34.9
69.07071	25.5
69.23579	6.6
70.89221	13.6
71.05002	8.9
79.05492	29.5
81.03408	7.0
81.06720	4.7
81.07071	49.9
83.04987	7.8
83.08631	21.5
91.05488	33.6
93.07052	57.7
93.86977	5.4
95.04991	9.8
95.08614	90.4
95.21603	4.8
97.02890	5.1
97.10170	10.3
98.20884	4.9
105.07035	64.9
107.08602	71.7
109.06509	6.1
109.10154	58.9
111.08069	10.9
117.07049	15.8
119.08590	100.0
121.06527	9.8
121.10146	75.1
123.08054	7.2
123.11702	20.8
129.07013	9.6
131.08588	46.0
133.10133	68.4
135.08078	12.3
135.11700	44.2
137.09624	6.3
137.13260	6.8
142.07764	6.5
143.08594	26.7
145.10129	74.4
147.11674	46.0
149.09596	9.7
149.13243	18.1
153.09142	6.3
157.10139	21.5
159.11687	59.9
161.13313	33.5
163.07536	7.5
163.11223	11.5
163.14830	16.8
165.12743	8.3
169.02365	4.7
171.11714	19.0
173.13295	25.7
175.07451	5.7
175.11264	7.3
175.14818	33.8
177.09084	11.8
177.12741	6.0
177.16457	17.6
183.11705	7.7
185.13263	15.6
185.23608	6.6
187.14807	47.0
189.16437	43.5
191.14270	9.5
191.17943	37.2
197.13281	5.7
199.14830	14.4
201.16396	85.1
203.14418	6.3
203.17976	25.8
205.15933	28.7
205.19479	5.4
207.17542	8.5
213.16403	9.4
215.14447	6.2
215.17958	10.4
217.15897	9.2
218.43549	5.6
219.17412	18.5
223.17035	6.7
227.17876	10.7
229.19568	12.1
231.13667	7.0
233.19083	6.4
235.16862	12.1
241.19398	8.1
247.16928	40.6
255.21284	8.4
259.20853	7.3
263.16388	6.7
267.09134	12.2
275.20248	6.6
285.10062	12.1
285.18347	6.4
289.21539	6.0
324.11325	6.5
329.24731	7.2
389.32117	7.1
407.33163	26.0
425.34253	31.1
435.32596	17.3
453.33630	18.5
471.01825	8.2
471.34335	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
57.07092	13.4
60.29213	2.3
67.05496	13.5
69.03426	12.4
69.07069	6.0
70.25624	6.6
70.26014	5.0
71.04987	3.4
71.53206	2.5
73.06551	5.0
79.05496	9.7
81.03415	4.1
81.07066	19.2
83.04991	6.6
83.08625	2.9
85.02919	13.6
85.06533	8.7
91.05492	9.7
93.07047	10.8
94.57961	2.8
95.04990	6.2
95.08606	28.8
97.02915	6.4
97.10129	3.3
97.84129	2.7
98.21089	6.0
99.04449	4.8
99.08035	2.9
105.07022	14.3
107.04962	5.0
107.08598	24.5
109.06555	5.3
109.10163	10.7
117.06998	4.0
119.08607	14.8
121.10136	15.6
122.07242	4.2
123.08089	13.5
123.11742	3.9
125.06069	4.5
125.09674	3.8
127.03951	7.4
131.08580	6.9
133.10141	100.0
135.08061	9.9
135.11676	8.8
137.06061	3.6
137.09625	55.0
137.13301	4.5
138.10065	2.7
139.07611	3.6
141.52788	2.8
145.04944	4.3
145.10175	6.3
147.11693	6.1
149.09616	10.9
149.13275	10.4
151.07603	5.9
154.33984	2.6
159.11682	4.2
161.13371	4.3
165.09111	6.7
171.11748	4.2
173.13225	6.8
175.14775	2.7
189.12807	8.8
191.14323	39.1
207.13820	22.0
209.15434	5.2
215.82779	3.1
229.10699	7.0
247.11734	6.9
248.53920	2.9
272.01852	2.9
291.26895	4.2
309.28015	4.7
390.58862	3.0
471.26205	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	471.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15532	0.6
53.03939	2.0
54.14644	0.7
55.05512	5.3
57.03422	0.9
57.07067	2.7
60.39741	0.7
63.47219	0.6
67.05508	6.6
69.03432	8.4
69.07069	3.2
69.85271	1.4
69.85677	3.0
71.05001	1.2
73.06554	5.3
77.40761	0.7
79.05493	7.2
81.03426	3.1
81.07053	10.3
83.04987	3.8
83.08618	1.9
85.02922	5.0
85.06538	2.1
91.05479	6.9
93.07059	7.9
95.04972	14.1
95.08609	6.8
97.02363	0.6
97.02882	4.5
97.06563	2.1
98.20824	1.1
98.21363	1.6
99.03808	0.6
99.04445	3.5
101.06022	1.2
105.07038	11.2
107.04931	4.3
107.08591	21.1
109.02890	1.5
109.06507	5.7
109.10167	9.3
111.08118	1.7
115.05463	1.7
117.07014	3.0
119.06998	0.8
119.08582	8.1
120.79016	0.6
121.06489	3.0
121.10154	14.0
122.07301	3.4
123.04442	1.0
123.07327	0.8
123.08046	4.9
123.11695	2.3
125.09669	1.0
127.03930	3.8
129.06941	1.4
129.56160	0.7
131.08566	3.8
133.10135	100.0
134.10446	1.6
135.04430	1.2
135.08060	9.3
135.11696	2.1
137.06027	1.4
137.09622	53.8
138.09950	0.8
139.11235	0.8
143.08574	1.6
145.05002	2.3
145.10136	2.5
147.08044	1.4
147.11681	6.3
149.09676	2.0
149.13257	9.1
150.06740	1.3
151.07509	1.6
151.11119	1.1
153.01894	1.1
153.09149	4.1
155.08618	0.7
157.10114	1.6
159.11696	2.8
161.09628	1.3
161.13315	1.9
163.11217	1.5
163.14876	2.0
165.09071	3.3
166.04465	0.7
167.07097	1.0
171.11768	1.4
173.09624	0.9
173.13245	7.2
175.14941	0.9
177.12721	1.6
179.03403	1.5
181.04927	0.8
185.13274	0.7
189.12758	1.6
191.14317	46.8
197.30000	0.8
199.11240	0.8
207.13774	8.0
209.15363	14.1
217.12289	2.0
225.14876	1.1
229.10739	1.1
233.15460	1.2
245.10461	0.8
247.16989	0.8
303.08588	1.0
471.16174	1.1
471.21844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19533	4.0
55.01865	4.9
55.05500	14.8
57.03426	11.7
57.07055	6.6
57.94725	3.1
59.24630	3.1
65.03961	4.2
67.05497	35.9
69.03424	4.4
69.07051	16.9
69.73222	14.6
69.73640	7.8
71.91561	3.5
73.93802	3.5
77.23212	3.5
79.05495	38.9
81.03424	4.2
81.07056	39.2
83.04955	6.8
83.08615	9.6
85.06522	6.3
90.07630	3.6
91.05487	37.8
93.07056	48.7
95.04945	11.2
95.08612	49.2
97.02922	5.2
97.06538	6.9
98.21274	10.9
103.05470	5.1
105.07028	44.5
107.04952	4.6
107.08598	47.4
109.06501	7.5
109.10159	28.5
111.08083	11.3
117.07021	25.8
119.07918	3.7
119.08592	48.8
121.06509	11.3
121.10147	46.0
123.04399	4.7
123.08096	10.8
123.11700	14.0
124.73762	3.7
125.09650	12.1
127.11108	3.9
127.33652	3.9
129.06973	16.9
131.08542	27.7
133.06453	4.8
133.10130	31.6
135.08028	8.5
135.11684	30.7
137.09602	7.4
141.05444	37.3
141.06476	4.9
141.06979	5.2
143.08536	16.5
145.06461	3.9
145.10162	35.8
147.08006	8.4
147.11722	19.1
149.09586	7.2
149.13251	15.2
150.05113	3.3
151.07555	5.7
153.05472	30.3
155.08601	7.6
157.10126	19.7
159.08058	4.0
159.11694	42.6
161.09627	8.1
161.13263	13.1
163.11162	10.9
163.14827	12.3
167.03416	100.0
169.10182	3.8
171.11649	11.4
173.09677	6.4
173.13315	22.2
175.14819	21.6
177.16328	6.9
177.60867	3.8
179.07051	9.2
180.62933	3.7
183.11707	15.6
185.13293	17.5
187.14815	12.1
189.12799	4.7
189.16406	17.5
191.14362	4.2
192.27466	3.9
195.06444	4.7
199.14792	7.3
201.12779	12.1
201.16403	8.9
203.14240	10.6
203.17946	10.5
205.08701	4.2
207.10071	3.9
213.16357	11.3
215.17957	5.9
219.17549	3.8
227.17975	4.0
229.15854	4.8
231.17432	5.9
233.15372	4.7
239.18167	4.2
241.15909	7.3
241.19409	7.1
259.17267	4.2
267.17383	5.0
269.18854	5.3
285.18417	3.9
313.17862	4.5
407.32712	4.9
425.34717	17.2
453.34131	19.2
471.35193	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	471.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01866	1.4
55.05509	8.2
57.03432	2.0
57.07070	2.9
59.04977	1.7
67.05508	10.1
69.03428	16.9
69.07074	7.0
71.04990	3.0
71.56752	1.4
73.02933	1.7
73.06558	15.5
79.05496	4.9
81.03418	9.7
81.07062	14.6
83.04987	10.8
83.08619	2.5
84.75116	1.0
85.02911	14.8
85.06544	3.4
87.29986	1.0
91.05475	6.4
93.07057	8.9
95.04971	5.4
95.08603	13.8
97.02908	11.0
97.06550	1.5
99.04443	3.8
101.05996	3.5
105.07030	11.1
107.04976	4.5
107.08592	18.0
109.02876	5.0
109.06506	10.0
109.10149	12.2
111.04478	1.6
111.08079	2.6
119.04913	1.7
119.08588	9.7
121.06508	2.8
121.10140	16.2
122.07287	3.3
123.04395	1.5
123.08054	5.6
123.11697	6.0
125.06042	2.7
125.09636	2.4
127.03924	14.4
131.08574	3.8
133.10136	46.5
135.08061	7.2
135.11702	3.6
137.06023	2.5
137.09621	34.3
145.04967	4.3
145.10110	3.3
147.04414	2.0
147.11694	4.9
149.09622	7.8
149.13246	11.3
151.07480	1.6
151.11174	18.0
157.10158	1.7
158.10805	1.0
159.11668	1.3
161.09589	3.3
163.11205	1.3
163.14839	2.6
165.09106	7.5
165.12761	35.8
167.07071	2.0
169.10173	1.4
170.32442	1.2
173.13255	5.8
175.07504	1.2
175.14786	2.3
177.09171	1.2
179.10756	1.9
181.12289	1.2
185.13222	1.2
189.09116	1.8
191.14313	31.2
193.15910	2.0
203.10674	1.2
209.15370	100.0
210.15797	1.3
243.13609	1.2
245.10162	3.2
272.40469	1.1
471.16257	1.8
471.22046	1.7
471.25739	2.1
471.31253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1499
Annotation	Plumieride
Peak:m/z	Relative Intensity
57.03435	0.4
57.56835	0.3
68.26968	0.3
69.58627	0.9
69.59056	1.0
81.03379	0.3
83.04975	1.0
85.02892	2.9
89.25976	0.2
94.06564	0.5
95.04945	0.4
96.04477	0.5
97.02885	0.3
98.21018	1.0
140.07036	1.3
141.02771	0.3
151.03937	0.3
152.07083	1.2
152.34116	0.3
153.01846	1.5
158.08121	1.1
163.03853	0.3
167.03404	20.8
169.04971	0.6
171.26602	0.3
177.05498	0.6
179.03328	0.3
185.04228	0.3
192.04166	3.5
203.07054	1.1
205.05013	1.4
206.05731	4.5
207.06544	5.3
213.05363	0.3
215.07291	0.4
216.04126	0.6
217.04893	0.9
231.06543	5.5
232.07314	2.3
234.05200	2.6
245.08025	0.8
247.09610	1.6
249.07588	34.7
250.08052	0.6
273.07578	0.9
276.06339	1.2
291.08615	7.0
292.42596	0.3
309.09683	100.0
310.10046	2.0
379.00616	0.5
453.00909	1.0
471.02188	0.5
471.15012	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	471.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01879	1.8
55.05513	5.9
57.03434	1.5
57.07074	4.4
58.79939	0.7
63.53602	0.6
64.42023	0.7
67.01865	0.6
67.05508	10.5
68.78123	0.6
69.03430	7.0
69.07071	4.7
69.85468	3.3
71.04990	3.4
73.31435	0.6
79.05505	5.8
81.03423	9.2
81.07065	17.2
83.04977	2.7
83.08633	2.5
85.02909	6.0
85.06553	3.8
91.05491	7.2
93.07058	8.4
95.01290	0.8
95.04980	2.9
95.08606	23.1
97.02915	3.7
97.06544	4.3
97.10154	0.7
98.21197	1.7
99.04456	1.6
99.08120	1.6
105.07037	9.0
107.04973	0.9
107.08594	7.5
109.02892	4.6
109.06540	1.7
109.10153	5.3
111.04452	1.6
111.08083	2.1
113.02374	100.0
113.05992	1.4
114.02679	1.0
117.06995	1.1
119.08589	10.3
121.02864	0.9
121.06503	2.0
121.10164	4.1
123.08067	4.3
123.11739	2.3
125.06026	1.1
127.03913	8.5
127.07486	0.9
129.07014	1.6
131.08582	2.2
133.06541	0.8
133.10132	4.7
135.08102	1.7
135.11705	4.1
137.06049	0.8
137.09628	2.6
137.13210	1.2
143.08600	1.2
145.04985	1.8
145.10158	2.7
147.08121	1.3
147.11707	2.3
149.09642	3.3
149.13281	1.2
151.07588	3.5
151.11311	0.7
151.14764	1.0
157.10153	1.7
159.11751	2.3
161.09674	1.3
161.13269	13.3
163.07533	0.9
163.11121	1.0
165.09103	3.2
171.11737	0.8
173.13335	1.8
175.14825	1.1
177.09088	0.7
177.12843	1.0
179.10699	0.8
179.14339	8.7
179.71658	0.7
189.12791	1.9
191.14317	1.2
197.13432	0.9
197.15399	2.0
199.11224	0.8
203.14319	0.8
205.12399	0.8
207.13846	6.7
209.15437	1.0
233.15446	0.9
237.14780	1.1
247.11823	1.1
249.14595	0.7
254.26378	0.8
259.17099	1.1
269.15582	0.7
277.18079	0.9
287.16449	1.5
305.17505	4.6
323.18494	7.7
331.88062	0.8
341.19614	3.2
471.26346	0.9
476.52121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56509	0.4
51.60170	0.4
52.18542	0.4
55.01859	1.3
56.05043	1.0
57.03188	0.5
57.03438	6.3
60.04501	1.2
61.02917	1.8
68.05013	1.3
69.03439	7.8
71.01356	2.1
71.48154	0.7
72.04504	0.6
73.02922	12.8
80.05003	1.8
81.03393	0.5
82.06576	1.9
83.04963	0.5
84.04520	1.0
85.02493	0.6
85.02909	6.0
86.06026	0.6
87.04448	1.8
96.08125	0.8
97.02908	6.0
98.06019	0.6
98.97595	0.9
101.00886	0.5
102.05546	2.5
103.03901	0.7
106.06580	0.9
110.06030	2.0
113.00806	0.6
114.05496	1.0
115.03951	4.6
116.07104	0.5
119.01929	1.4
122.01366	0.9
122.06033	2.3
124.07571	0.6
128.07091	14.0
131.01892	1.9
132.06549	4.0
133.04967	2.0
134.06007	0.9
137.01863	1.2
137.02876	0.5
139.00801	0.5
140.07074	1.0
143.01932	1.3
145.03448	0.7
152.02388	0.9
152.07068	2.5
152.52505	0.4
155.01892	1.3
158.02962	1.4
158.08153	0.8
160.09691	0.8
161.02995	1.2
169.01875	0.7
170.08189	3.3
173.03006	2.2
176.04045	1.3
185.02953	1.9
187.04520	0.5
188.03999	1.4
188.09203	8.5
196.02443	0.9
197.02969	0.6
200.04269	0.5
203.04025	3.2
203.54085	0.6
204.04089	0.5
206.10258	67.6
207.10678	0.5
211.02905	0.6
212.02754	0.6
212.04657	0.7
218.04688	0.7
221.05107	0.9
224.04391	1.4
232.03432	0.8
239.05104	0.6
245.05118	3.8
248.11310	0.7
254.05688	0.5
257.47910	0.4
263.06223	1.3
275.06137	2.0
278.07346	0.9
279.99179	0.4
290.06564	0.7
305.07355	0.5
320.13495	0.8
325.99741	1.3
337.09790	0.7
338.14474	29.5
365.09396	0.7
470.18738	100.0
471.19031	2.1
473.62289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05502	0.8
55.76699	0.3
57.03424	0.8
57.07063	1.0
60.38398	0.3
61.02933	0.3
67.05495	0.9
69.03434	2.4
69.07047	0.7
70.06573	0.3
71.04979	0.8
78.99113	0.2
79.05479	0.6
79.47857	0.3
81.03424	2.6
81.07063	1.6
83.04962	0.6
83.08598	0.3
85.02902	4.0
85.06519	1.5
86.09714	0.4
87.04491	0.3
93.07040	0.4
95.02445	0.5
95.04961	1.2
95.08590	0.5
95.39732	0.3
97.02893	3.4
98.09666	0.3
98.21339	0.3
99.04464	0.6
99.05549	0.4
99.08091	0.3
100.11248	0.5
103.07555	0.4
104.05010	0.6
105.07007	0.3
105.97808	0.4
107.08554	0.6
109.02887	1.9
109.06505	0.5
109.10144	0.6
111.04451	0.6
113.03510	2.6
113.06033	1.5
114.03876	0.4
115.03938	0.3
116.10740	0.5
119.08569	0.4
122.06000	0.6
123.04394	0.3
123.08080	0.3
127.03911	2.6
129.12700	0.3
130.06538	0.4
132.04469	4.8
135.11697	0.3
137.02408	0.3
137.05975	0.4
138.13608	0.3
145.04945	1.7
147.04430	0.4
147.06023	0.3
149.09515	0.3
153.01848	3.7
157.07600	0.3
163.11154	0.3
178.04999	100.0
179.05325	1.1
182.15404	1.0
198.14961	0.7
203.05449	0.4
210.14928	0.8
226.14391	0.3
231.01852	0.3
240.07028	0.5
272.10947	1.1
273.07730	0.3
274.07825	0.3
308.12949	0.3
311.22873	0.3
319.04355	1.6
337.21268	0.4
340.10306	0.5
355.22195	0.5
355.93976	0.3
452.15475	0.7
452.31372	0.5
470.16617	0.6
470.32407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34817	1.1
61.46975	1.0
69.28157	9.2
93.47379	1.2
98.21304	5.1
139.05452	2.2
167.04933	3.8
183.04407	2.1
195.04445	4.5
223.03922	7.1
239.03394	2.8
241.04887	1.8
251.03394	12.6
267.02899	4.2
269.04526	1.7
279.02969	10.5
280.03531	1.3
285.04053	2.2
295.02390	6.6
297.03918	2.9
299.01639	1.2
307.02371	15.1
313.03537	2.7
323.01825	24.7
325.03378	6.8
335.01901	8.8
341.02872	4.2
351.01379	23.5
353.02914	3.5
363.01340	36.4
369.02493	1.9
379.00830	49.3
379.05698	2.4
380.01126	1.3
381.02466	4.7
391.00919	22.0
392.01489	2.2
397.01801	2.0
407.00336	58.9
408.00696	2.1
409.01953	3.7
425.01141	2.9
427.03030	2.0
434.99817	3.1
453.00916	86.7
454.01068	3.2
471.01950	100.0
472.02322	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	471.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60210	0.8
69.91407	1.9
69.91801	2.4
85.26010	1.0
98.20890	2.4
139.05437	1.5
148.14154	1.0
162.18716	0.9
167.04944	4.0
183.04593	1.1
195.04434	2.8
211.03815	1.3
213.05446	1.7
218.37872	1.4
223.03880	6.8
229.05200	1.0
239.03378	2.9
241.05017	1.4
243.53671	0.9
251.03386	10.7
260.02484	1.0
267.02924	6.4
269.04538	2.0
279.02939	10.6
285.03989	1.7
288.85364	1.1
295.02359	6.8
297.03864	3.7
307.02405	10.7
313.03372	4.1
323.01874	26.8
325.03442	5.5
335.01727	5.7
341.02902	4.9
351.01306	19.0
351.05240	1.8
353.02728	2.4
363.01318	31.4
369.02194	1.7
379.00815	45.1
381.02304	4.8
391.00882	16.8
397.02017	1.5
407.00327	52.0
408.00922	1.0
409.02008	4.9
425.01083	2.6
434.99881	2.2
453.00870	73.2
454.01251	1.7
471.01910	100.0
472.01978	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	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.08153	4.6
53.03959	5.2
55.01868	5.2
55.05516	18.8
57.03450	8.2
57.07066	4.7
58.54544	4.4
64.70365	4.7
65.03948	4.8
67.05504	44.2
67.23476	4.4
68.06245	4.3
69.03442	7.8
69.07073	28.8
69.31059	10.3
69.31465	38.7
71.04991	6.7
72.41579	4.9
79.05500	28.5
81.03427	7.8
81.07066	75.4
83.04989	22.2
83.08633	13.5
85.02911	5.8
91.05486	32.8
93.07047	54.7
95.04977	20.0
95.08613	73.8
97.06546	13.8
97.10175	8.2
98.20770	8.1
98.21432	12.0
105.07053	55.9
107.05029	5.5
107.08599	76.1
109.06540	13.9
109.10175	40.1
111.08086	7.5
111.11689	4.5
117.07049	15.7
119.08590	96.4
121.06589	5.2
121.10159	55.6
123.08123	8.9
123.11727	16.7
125.09618	6.1
129.07011	8.3
131.08583	40.0
133.10143	68.9
135.08107	12.5
135.11703	28.1
137.09616	8.8
141.07109	5.3
142.07811	10.7
143.08578	23.0
145.10126	55.6
147.08025	5.9
147.11696	49.0
149.09660	8.9
149.13300	18.9
151.07555	7.0
151.11183	7.8
155.08591	8.6
156.09279	6.5
157.10095	32.2
159.11694	45.7
161.09691	12.3
161.13306	33.3
163.11238	7.4
163.14796	16.8
169.10127	18.2
171.11700	29.7
173.13280	40.2
175.11307	10.1
175.14839	37.5
177.12976	6.4
177.16402	29.0
179.10574	4.9
183.11722	12.9
185.13211	25.0
187.14853	43.2
189.12801	9.8
189.16408	57.6
191.14320	15.8
191.18027	7.1
197.13303	11.2
199.14870	43.0
201.16422	42.6
203.14258	12.5
203.17989	33.1
211.14870	16.3
213.16458	19.6
215.14395	12.9
215.17952	13.0
217.15926	14.9
221.15414	7.8
223.14735	6.7
227.18008	11.1
229.15866	13.4
233.15402	11.7
235.17017	22.0
237.16493	6.7
239.17982	9.7
241.19637	7.4
247.16997	23.8
253.14359	6.3
253.19469	6.9
269.18927	5.1
299.19968	6.6
308.65823	5.8
366.18890	5.1
387.30322	10.5
393.31760	7.3
405.31519	36.9
421.31168	15.0
423.32648	37.9
433.31152	16.9
439.31827	11.0
451.26910	6.9
451.32159	58.5
469.04352	6.2
469.33401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	5.8
55.05520	20.3
57.07063	5.6
65.03941	2.6
67.05518	30.9
69.03440	2.9
69.07089	16.2
70.77859	3.8
70.78201	6.1
71.04993	4.4
75.44369	3.3
79.05499	28.0
81.07062	68.4
83.04989	22.8
83.08621	16.3
91.05479	31.5
93.07048	53.0
95.04968	8.5
95.08611	66.0
97.06552	3.8
97.10169	7.7
99.08089	9.7
103.08607	2.9
105.07042	77.2
107.08604	76.9
109.06533	10.0
109.10170	42.5
111.08083	5.1
117.06993	9.1
117.16027	3.2
119.08588	100.0
121.10151	66.3
123.08083	7.9
123.11715	26.3
125.09617	10.1
128.06239	6.2
129.07004	7.9
130.07748	3.6
131.07684	5.7
131.08578	49.4
133.10135	73.9
135.08044	6.0
135.11708	25.5
135.93544	2.8
137.09642	7.9
141.06952	4.0
142.07820	5.9
143.08572	32.4
144.09320	3.7
144.47374	2.8
145.00261	3.4
145.10139	77.3
147.08133	3.6
147.11681	40.7
149.09615	5.6
149.13260	14.3
151.07524	5.1
151.11157	9.7
155.08560	11.1
156.09380	8.4
157.10150	33.4
158.10855	6.6
159.08031	4.7
159.11714	63.1
161.09631	4.2
161.13248	26.4
163.07524	4.6
163.14815	6.2
165.09209	4.2
169.10120	12.6
171.11716	26.9
173.13272	35.9
175.11223	4.0
175.14835	33.6
177.16403	11.3
179.14357	6.5
183.11700	13.5
185.13248	44.2
187.14819	65.1
189.16327	21.0
191.14275	10.1
191.18025	6.6
193.15997	4.0
195.11801	3.7
197.13277	17.3
198.96384	2.9
199.14822	48.9
201.16397	55.8
203.14319	22.0
203.17981	6.1
205.15912	16.5
205.19678	3.5
209.13289	4.1
211.14838	10.9
213.16403	36.6
215.14322	8.0
215.17979	7.7
217.15881	9.4
219.17488	19.2
221.15433	4.2
223.14728	4.1
225.16431	6.9
227.17944	9.9
229.15779	5.9
231.13753	4.8
231.17365	7.4
233.15344	13.8
235.16945	3.2
237.16451	3.8
239.17932	8.1
241.19530	9.0
243.17422	4.3
245.15421	9.6
247.16989	4.7
249.14832	9.0
251.18085	3.7
253.19604	13.9
255.21117	5.3
259.16864	9.4
267.21088	10.7
279.21234	4.2
283.20599	6.0
291.20935	4.1
374.48340	3.2
387.30429	7.5
405.31570	56.7
407.33258	18.1
415.29990	3.7
423.32629	22.4
433.31140	22.3
451.32129	25.5
469.33575	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02370	1.6
53.03939	3.9
55.05510	12.0
57.07071	3.4
63.65200	1.1
65.03926	2.0
67.05496	14.9
69.03394	1.7
69.07072	11.3
69.39389	4.2
69.39813	6.7
79.05493	17.9
81.06575	1.8
81.07057	42.7
83.04980	22.7
83.08636	10.0
85.06538	3.7
91.05476	29.0
93.07043	42.2
95.04971	7.5
95.08604	51.3
97.06517	4.0
97.10172	1.4
98.21171	4.7
99.08099	22.7
105.07032	69.4
107.08598	64.2
109.06512	7.7
109.10150	25.9
111.08083	4.6
115.05466	1.4
117.07014	10.0
119.08582	100.0
121.06509	1.4
121.10139	44.3
123.08059	6.8
123.11719	17.4
125.09613	3.6
128.06245	3.3
129.06999	6.8
130.07788	4.5
131.08571	57.3
133.09103	2.8
133.10124	55.0
135.08092	2.7
135.11694	20.1
137.09586	2.6
137.13284	2.1
141.06975	3.5
142.07788	5.1
143.08553	18.5
143.09653	1.5
144.09358	3.6
145.10121	71.3
147.08052	2.6
147.11685	41.9
149.09619	3.5
149.13264	11.1
151.11166	4.9
155.08551	5.3
156.09351	3.7
157.10132	27.9
158.10910	4.0
159.11688	46.0
161.09633	2.8
161.13258	18.4
163.07457	2.4
163.11180	2.2
163.14822	7.3
169.10168	7.4
170.10870	4.5
171.11702	21.4
172.12437	3.1
173.09717	1.3
173.13263	38.5
175.11237	1.8
175.14842	27.5
177.16374	13.9
179.14262	1.4
181.10152	2.9
182.10884	2.0
183.11659	8.6
184.12479	2.3
185.13255	31.6
187.14825	71.4
188.15382	1.4
189.12695	2.7
189.16385	20.3
191.14293	7.4
191.17862	2.6
193.15799	1.6
195.11687	3.4
195.13805	1.3
197.13254	10.6
198.13914	2.0
199.14822	33.5
201.12744	3.8
201.16389	42.5
203.14302	16.4
203.18007	4.8
205.15881	53.2
207.11716	1.8
207.17502	3.5
209.13281	4.8
211.14806	9.5
213.16382	19.1
215.14331	6.2
215.17929	5.6
217.15871	13.3
219.17433	15.4
223.14703	3.0
225.16351	5.7
227.17868	4.0
229.15915	4.1
231.17432	4.2
233.15372	4.3
233.19046	1.7
235.15041	2.1
237.16420	2.1
239.17914	3.9
241.19574	5.0
243.17427	5.5
245.15388	3.1
247.17000	2.5
249.14825	3.6
251.18071	2.2
253.19437	4.5
255.21066	2.5
257.19083	2.8
259.16913	3.1
265.19476	2.8
267.21051	4.6
277.19449	1.7
278.10843	1.3
279.21277	1.7
281.22681	1.6
283.20660	6.7
289.10727	1.3
291.21207	1.3
297.22006	1.5
311.23679	1.5
317.22467	2.0
333.25836	3.0
351.26813	5.0
377.32013	2.3
387.30405	5.0
393.31506	3.3
395.33237	3.9
405.31528	40.4
407.33020	7.1
411.29050	1.6
423.32547	27.5
433.30795	5.8
439.32040	5.6
451.31992	14.6
469.33075	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03932	7.0
55.05509	22.7
57.03407	4.3
57.07069	9.7
67.05508	34.9
68.63140	4.3
69.03413	9.3
69.07070	23.0
69.23993	8.1
69.24325	45.7
71.04980	4.6
71.27337	3.6
79.05488	31.7
81.03430	9.2
81.07064	69.1
83.04971	19.1
83.08608	16.8
85.02902	7.5
85.06502	6.2
91.05478	38.0
93.07057	55.6
95.04943	10.4
95.08032	7.4
95.08607	82.3
97.02866	5.7
97.06538	8.1
98.21105	23.0
99.04450	5.4
99.08070	7.6
100.11216	6.2
105.07040	75.4
107.08601	89.3
109.02876	5.0
109.06518	11.9
109.10166	40.6
111.08075	10.7
117.07021	11.8
119.07791	7.1
119.08588	100.0
121.06487	12.3
121.10155	64.2
123.04428	10.8
123.08067	11.7
123.11710	24.3
125.06012	6.0
125.09612	12.8
127.03898	6.0
128.06209	5.2
129.07010	5.5
131.08585	52.1
133.10144	56.4
135.08102	11.0
135.11696	27.5
137.05911	8.5
137.09641	7.5
137.13199	10.3
139.07527	5.3
141.09085	6.0
142.07773	6.2
143.08545	20.4
144.09358	4.9
145.10135	69.5
147.08090	6.0
147.11693	43.0
149.09567	12.2
149.13266	23.3
151.07530	6.9
151.11165	5.0
153.01834	22.2
153.09138	4.2
154.02153	9.9
155.02322	5.3
155.08574	6.2
156.09373	6.6
157.10153	30.6
158.10938	7.0
159.11685	59.7
161.09637	10.2
161.13240	29.6
163.11183	7.6
163.14897	21.3
165.09122	7.3
169.10094	11.8
171.11732	22.4
173.13275	45.4
175.11185	12.9
175.14813	63.9
177.09221	5.2
177.12685	4.4
177.16386	29.6
181.12093	5.2
183.11627	9.6
185.13292	24.2
187.11139	5.7
187.14836	50.1
189.12785	8.4
189.16362	16.8
191.14264	17.8
197.13313	11.0
199.14844	38.7
201.12703	5.3
201.16411	72.6
203.14297	22.5
203.18011	22.5
205.15863	30.6
207.17406	4.9
209.13249	5.4
211.14925	5.8
213.16405	22.3
215.17905	9.6
217.15897	9.4
219.17448	6.9
221.15337	15.2
227.17796	8.2
229.15854	6.5
231.17467	16.7
239.17982	6.2
241.19542	5.9
247.16891	17.5
253.19562	4.7
273.18637	5.3
307.18701	4.6
387.30292	5.3
393.31744	6.0
405.31467	32.3
415.32071	5.5
421.30991	6.7
423.32611	27.9
433.31143	20.1
451.32108	39.1
469.23566	5.2
469.33194	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
53.03960	4.0
55.05517	12.1
59.71608	3.6
63.31714	3.0
65.16435	3.0
67.05502	19.5
69.07065	12.0
70.86830	8.3
74.45016	2.9
79.05502	17.4
81.07056	36.3
83.04955	3.6
83.08616	4.0
89.87035	3.2
91.05469	16.0
93.07046	27.9
93.21275	3.8
95.04995	7.6
95.08617	47.8
96.87956	2.9
97.06499	4.3
97.10168	4.0
98.21106	6.5
105.07037	35.6
107.08604	38.8
109.10146	18.0
111.08099	3.5
116.96217	3.0
117.06997	8.2
119.08591	100.0
121.06478	4.2
121.10173	33.1
123.08067	4.6
123.11724	10.1
125.09599	4.8
129.06998	6.0
131.08551	27.0
133.10144	41.2
135.08109	5.0
135.11720	11.7
136.26465	3.2
137.09633	4.2
137.13309	3.8
142.07732	4.6
143.08597	16.1
145.10144	40.9
147.11716	16.1
149.09622	4.0
149.13261	11.8
155.08586	5.6
156.09351	6.7
156.99559	3.0
157.10155	22.8
159.11693	34.8
161.09669	7.1
161.13268	16.5
163.14839	9.0
169.10181	11.4
170.10962	4.6
171.11699	18.9
173.13264	31.6
175.11188	4.1
175.14861	31.0
177.16388	5.7
182.10919	5.9
183.11737	5.7
184.12486	5.0
185.09683	4.3
185.13188	15.7
187.14821	39.8
189.12794	4.3
189.16411	13.3
193.15805	4.4
197.13335	9.7
199.14844	29.1
201.12714	5.4
201.16418	27.5
203.14369	8.6
203.17967	7.4
205.15871	6.5
209.13295	7.6
211.14897	5.4
213.16435	13.7
217.15901	16.1
221.13321	4.0
225.16425	7.3
227.17966	5.1
229.15909	6.8
231.17444	9.2
235.14790	3.7
235.16940	41.3
237.16397	4.7
241.19649	4.0
247.17000	8.1
249.18484	6.6
265.19641	4.8
279.21240	4.5
292.01938	3.8
309.22076	4.3
317.22720	5.6
387.30426	27.6
405.31570	81.0
423.32590	56.0
433.31152	16.9
435.27957	4.3
451.32214	23.9
469.33618	35.9
477.79980	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	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03954	2.6
55.05508	21.5
57.07077	5.3
57.82950	1.7
59.04967	2.2
59.53355	1.8
67.05505	23.0
69.03429	2.2
69.07077	14.3
73.87572	2.0
79.05500	22.7
81.07059	50.1
83.04987	24.7
83.08630	13.7
85.06540	2.9
91.05476	29.0
93.07046	52.2
94.16031	1.6
95.04971	8.2
95.08607	61.2
97.06522	3.1
97.10177	4.1
98.20773	4.4
98.21454	6.6
99.08076	13.4
105.07031	73.2
107.08592	71.6
107.09155	2.0
109.06514	11.8
109.10155	36.8
111.08076	4.8
117.07031	9.7
118.44444	1.8
119.08581	100.0
119.25820	1.8
121.10140	53.2
123.08080	5.9
123.11707	20.0
125.09640	5.6
128.06236	3.5
129.07008	8.4
131.08568	56.5
133.10130	63.3
135.11703	23.1
137.09631	5.9
137.13226	2.1
141.07045	1.9
142.07767	5.8
143.08559	27.8
144.09357	4.3
145.10120	74.2
147.11687	34.4
149.09616	5.1
149.13242	11.2
151.11177	6.5
155.08556	7.2
156.09331	7.1
157.10121	33.9
159.11685	53.1
161.09657	2.6
161.13257	23.5
163.07555	4.1
163.11186	3.1
163.14865	8.5
169.10158	12.7
170.10922	5.4
171.11685	18.9
172.12514	4.4
173.13263	39.8
175.14825	31.1
177.16362	10.4
181.10133	3.7
182.10931	3.6
183.11707	12.4
184.12498	3.3
185.09645	2.1
185.13272	35.8
187.14824	65.0
189.12776	3.4
189.16393	21.4
191.14317	8.4
191.18005	4.9
193.15862	3.1
195.11732	4.0
197.13277	11.5
199.14822	43.4
199.16566	3.4
201.12634	2.1
201.16371	45.9
203.14336	18.7
203.18015	4.9
205.12627	2.0
205.15901	25.7
207.17470	2.6
209.13254	5.3
211.14854	13.7
213.16370	35.6
215.14304	3.7
215.17989	7.8
216.30569	2.0
217.15862	15.8
219.17407	17.7
223.14857	3.1
225.16425	5.7
227.17966	4.8
229.15900	5.2
231.13670	2.2
231.17397	8.7
233.15370	7.8
233.18993	2.3
235.14818	3.7
237.16371	4.1
239.18082	8.6
241.19481	8.4
243.17386	2.6
243.21162	2.2
245.15356	9.2
247.16879	3.4
249.14798	10.0
251.18013	2.8
253.19618	8.4
255.21114	4.5
259.16995	6.4
265.19550	2.4
267.21085	11.0
281.19107	2.0
281.22507	2.6
283.20547	5.5
287.19989	2.1
297.22070	2.7
309.22351	2.1
311.23593	2.4
335.23737	3.0
337.25500	2.2
351.26779	6.9
367.05792	2.4
387.30450	3.3
405.31479	56.7
407.32935	13.6
423.32510	21.2
433.31107	14.2
439.32037	3.3
451.32089	24.3
469.33142	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	469.3312
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
53.03933	5.4
55.05514	14.5
57.07069	3.8
67.05507	21.7
69.03431	2.7
69.07070	13.1
69.77917	2.6
69.94557	11.5
69.94981	4.1
79.05495	23.4
81.03451	2.9
81.07056	53.4
83.04987	13.7
83.08627	8.8
85.06542	2.9
91.05482	28.8
93.07046	51.0
95.04971	5.4
95.08607	55.4
97.06489	3.4
97.10177	4.4
98.21232	7.3
99.08131	4.3
105.07028	65.6
107.08593	70.0
109.06511	9.4
109.10146	33.0
111.08075	4.4
115.05482	4.0
116.06181	2.5
117.07001	14.5
119.08577	82.4
121.06446	4.1
121.10146	55.6
123.08075	7.9
123.11697	17.8
125.09657	4.4
128.06201	4.1
129.06961	7.1
131.08566	35.4
133.10123	52.2
135.08089	6.6
135.11688	31.5
137.09596	4.6
141.06979	3.4
142.07805	4.6
143.08551	24.5
144.09314	3.5
145.10114	51.3
147.11665	35.2
149.09622	9.8
149.13248	19.0
150.13853	2.6
151.11220	7.5
155.08575	9.6
156.09360	7.1
157.10123	32.1
159.08131	6.9
159.11684	58.6
161.09627	3.8
161.13251	23.6
163.11221	5.9
163.14838	12.7
169.10202	15.8
171.11719	31.3
173.13257	34.7
175.11217	4.4
175.14799	23.8
177.12732	11.7
177.16371	6.3
179.14316	3.5
181.10016	3.8
182.10924	3.1
183.11656	14.7
184.12466	3.8
185.13293	25.4
187.14828	37.0
189.16386	17.9
191.14293	9.4
191.17879	5.4
194.10751	3.5
195.11702	10.6
197.13286	12.4
199.14838	22.3
201.12955	3.2
201.16391	26.4
203.14316	11.5
203.17877	7.9
205.15895	10.9
209.13271	7.1
211.14825	14.3
213.16367	23.2
215.14340	6.2
215.17973	6.2
217.12379	3.6
217.15909	8.4
219.13632	3.1
219.17459	7.4
221.13280	4.3
223.14766	3.7
225.16399	9.9
227.17931	9.3
229.19550	11.2
231.17490	6.2
233.15312	4.9
237.16365	3.6
239.18083	7.2
241.19514	11.4
243.17557	4.8
245.15388	4.6
249.14845	6.1
253.19540	6.8
255.17355	3.4
255.21127	10.2
259.17007	3.5
261.18423	3.4
263.18005	3.6
265.19376	3.7
267.21140	15.6
273.18484	4.6
275.20111	8.2
281.22821	5.5
285.18475	4.8
287.19995	7.1
291.21027	7.8
297.18411	3.7
299.20010	4.9
301.21759	5.5
309.21945	4.1
313.21643	3.4
327.23108	4.4
329.97403	2.9
330.79385	3.0
331.23822	3.2
335.23520	5.0
365.28732	3.0
387.30353	12.2
405.31610	64.6
407.33130	6.7
423.27695	2.9
423.32709	61.9
433.30930	31.9
451.32120	43.5
469.33591	100.0
470.33655	3.6
492.89633	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03944	1.9
55.05512	10.7
57.07071	2.7
63.52838	1.9
65.03942	3.0
67.05514	22.2
69.03432	33.8
69.07056	11.4
69.51951	15.9
72.37945	1.9
74.59911	1.8
76.75432	2.0
79.05487	17.6
81.07054	42.6
83.04985	3.4
83.08632	6.4
91.05486	34.8
93.07049	45.8
95.04967	26.3
95.08607	61.4
97.06529	5.2
97.10181	2.4
98.21413	4.6
99.04467	16.1
105.07037	69.6
107.08598	54.9
109.06525	8.6
109.10170	24.7
111.08107	3.0
111.11785	1.9
117.07019	13.7
119.08582	98.4
121.06513	3.9
121.10143	48.7
123.08048	6.2
123.11732	7.9
125.09660	2.5
128.06227	5.9
129.06996	9.7
130.07887	2.1
131.08566	39.3
133.10144	56.1
135.08128	3.7
135.11693	19.3
137.09619	3.8
139.07571	4.1
141.07004	2.6
142.07727	10.5
143.08568	24.6
144.09395	2.5
145.10117	52.1
147.08034	4.3
147.11684	31.9
149.09644	6.4
149.13254	12.5
151.11230	5.9
155.08612	5.0
156.09361	6.1
157.10130	28.7
158.10913	2.9
159.11703	43.9
159.12999	2.4
161.09654	5.0
161.13264	39.5
163.11166	2.3
163.14810	15.5
169.10143	6.5
170.10956	4.1
171.11691	18.6
172.12549	2.2
173.13264	33.3
175.11217	3.3
175.14821	24.9
177.16368	11.6
181.10216	2.9
183.11705	5.2
184.12555	5.9
185.13237	13.5
187.14838	49.4
189.12784	4.5
189.16391	63.3
191.14323	3.5
191.17979	5.7
197.13298	3.8
199.14813	32.4
201.16397	47.7
203.14362	10.5
203.17918	15.9
205.15921	12.9
207.13890	4.3
207.17468	2.4
211.14796	3.6
213.16423	17.9
215.14369	9.1
215.17938	31.0
217.15889	39.5
217.19545	7.4
219.17435	3.1
221.15465	6.7
225.16374	2.4
227.17976	4.4
229.15968	6.2
229.19547	6.4
231.17448	6.0
233.15399	9.2
235.16924	21.4
239.17970	4.6
241.19586	7.9
243.21194	5.0
247.16997	13.4
253.19646	3.8
255.20946	4.9
259.17017	3.9
261.18530	13.6
267.21161	6.1
269.22653	2.5
281.22507	2.6
293.22540	2.1
295.29373	2.4
299.19934	2.8
325.28989	2.5
349.29233	2.8
377.32205	2.7
387.30539	4.8
395.29572	5.6
405.31485	23.1
407.32626	2.8
421.31079	3.7
423.32660	24.7
433.31046	6.4
451.32169	16.9
469.33176	100.0
470.33075	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	469.3314
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.47052	0.8
54.46041	0.6
55.05505	2.5
57.07064	2.2
59.05005	0.9
67.05495	4.7
69.03424	1.2
69.07065	3.5
71.04983	0.9
79.05509	3.5
81.07063	7.9
83.04985	2.8
83.08614	1.7
85.06519	0.7
91.04976	0.7
91.05486	3.9
93.07058	7.9
95.04945	0.8
95.08612	22.6
97.02871	0.7
97.06546	1.7
97.10185	0.8
98.20752	2.0
99.08104	1.1
104.59480	0.8
105.07039	11.0
105.28527	0.7
107.08598	12.0
109.06519	1.6
109.10165	7.6
117.07063	1.4
119.08590	13.4
121.06537	1.3
121.10152	8.0
123.08045	1.4
123.11689	3.0
125.09606	0.9
129.06969	0.9
131.08591	4.8
133.10143	8.8
135.08083	2.0
135.11705	4.8
137.09723	0.8
139.07513	0.7
141.06981	1.1
143.08533	3.1
145.10141	6.8
147.08119	1.7
147.11717	6.6
149.09663	2.8
149.13278	2.9
151.07518	0.7
151.11215	0.8
153.09172	1.2
155.08565	1.8
157.10141	4.1
159.08066	1.1
159.11736	4.6
161.09621	2.8
161.13266	2.8
163.11201	2.3
163.14822	2.4
167.10666	0.8
169.10179	1.8
171.11734	2.2
173.09613	0.9
173.13274	5.1
175.11191	1.1
175.14842	7.0
177.12756	2.2
177.16411	1.8
183.11703	2.8
185.13268	1.1
187.11247	0.9
187.14867	5.0
189.12770	2.0
189.16393	12.1
191.14310	1.1
191.17996	1.5
197.13284	3.4
199.14819	3.9
201.12866	1.5
201.16444	1.6
205.15892	2.0
207.17505	1.4
209.13315	0.8
211.14803	1.0
213.16429	1.6
215.14447	3.3
215.18022	0.9
217.15889	5.2
225.16475	0.9
227.17972	1.8
229.15834	1.3
229.38745	0.7
231.17387	1.2
233.15324	6.7
233.17101	0.6
235.16977	2.9
243.21114	0.7
253.19571	2.3
268.93503	0.7
271.20523	3.6
273.18533	0.7
297.22302	1.1
317.21262	1.0
346.69183	0.7
357.24286	1.0
405.31479	3.8
423.32669	9.8
433.30927	1.4
451.32050	9.4
469.33170	100.0
470.33368	3.9
493.85443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05507	5.1
57.02772	1.0
65.03930	1.5
67.05513	6.7
69.03439	1.2
69.07081	6.8
71.58076	1.6
73.56187	1.2
75.69292	1.0
79.05492	7.8
81.03445	1.3
81.07063	17.4
83.04975	1.5
83.08610	3.1
87.71578	1.1
91.05460	5.9
91.83234	1.2
93.07041	14.3
95.04971	2.1
95.08617	19.6
97.10170	1.9
98.21043	1.5
103.23128	1.1
105.07035	18.0
107.08607	19.6
109.06532	3.3
109.10178	10.5
117.07037	2.1
119.08589	25.1
121.10156	13.8
123.08049	1.6
123.11704	5.3
125.09632	2.3
129.07056	2.8
131.08591	8.1
133.06505	1.3
133.10132	16.3
135.08066	3.3
135.11710	8.1
137.09627	2.1
140.38844	1.1
142.07794	2.2
143.08577	5.3
143.87975	1.1
145.10135	14.4
147.08035	1.7
147.11678	12.3
149.09637	2.7
149.13254	7.7
155.08568	1.9
157.10162	6.8
159.08072	3.2
159.11697	7.7
161.09644	3.6
161.13278	7.5
163.11157	1.8
163.14856	4.5
167.08588	1.2
169.10182	4.4
170.10849	1.5
171.11682	6.2
173.09702	1.6
173.13229	7.0
175.11208	4.3
175.14854	13.1
177.12703	1.3
177.16405	3.6
181.10159	1.7
183.11684	4.4
185.13300	5.3
187.11099	1.5
187.14807	10.8
189.12912	2.0
189.16380	17.0
191.14441	1.6
191.18034	1.7
193.15886	1.4
197.13313	3.8
199.14844	9.6
201.12982	1.4
201.16414	6.3
203.14362	2.4
203.17973	2.4
205.15915	3.1
207.17415	2.0
209.13358	1.7
211.14763	2.8
213.16423	5.3
215.14369	5.3
215.17993	2.5
217.15848	6.9
223.14862	1.8
225.16371	3.8
227.18060	3.6
229.19516	1.6
233.15375	6.4
235.16936	2.0
237.16331	1.5
239.17975	2.6
241.19580	4.6
253.19585	2.0
257.19107	2.2
265.19571	1.4
293.22821	1.3
299.20090	1.3
303.19547	2.1
377.32120	1.3
387.30576	3.5
393.31509	3.6
405.31583	11.5
421.31091	2.6
423.32919	8.8
433.31186	5.0
439.32324	6.9
451.32138	43.9
452.31619	1.5
469.33218	100.0
470.33496	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01877	1.4
55.05514	14.0
57.03435	0.9
57.07073	2.5
61.02922	1.1
62.05437	1.0
65.91214	0.9
67.05507	6.9
69.03427	8.3
69.07079	5.3
71.04990	2.5
71.56657	1.8
79.05486	6.5
81.03410	4.2
81.07059	15.9
83.04986	100.0
83.08604	2.7
84.62041	0.9
85.02925	5.4
85.06542	2.8
91.05483	6.0
93.07058	11.0
95.04982	4.0
95.08618	14.5
97.02898	5.3
97.06537	1.9
97.10184	1.6
98.21078	0.9
99.04469	2.4
101.06033	3.5
105.07024	9.6
107.04924	1.4
107.08598	12.5
109.02908	2.1
109.06534	3.2
109.10162	10.6
111.04455	0.8
111.08118	1.9
117.07054	1.4
119.04921	1.6
119.08597	16.6
121.06524	3.6
121.10131	8.4
123.04440	7.0
123.08079	11.4
123.11720	5.4
125.05986	1.6
125.09635	1.4
127.03937	5.1
129.07001	1.7
131.08592	3.2
133.06514	2.2
133.10139	7.8
135.08044	5.1
135.11708	4.7
137.05980	7.0
137.09628	5.8
137.13286	1.8
139.03975	0.9
139.07515	1.2
139.11195	1.7
141.05475	1.4
143.08546	2.8
145.10107	4.5
147.04457	2.0
147.08041	2.9
147.11687	10.5
149.09641	3.8
149.13251	3.3
151.03949	1.2
151.07568	1.3
151.11179	1.6
153.01848	4.1
154.02168	1.2
155.02345	1.5
156.09348	1.6
157.10178	3.2
159.08067	1.0
159.11696	8.4
161.09631	2.9
161.13307	6.2
163.03955	2.7
163.07646	1.4
163.11201	3.3
165.05478	1.6
165.09142	2.5
165.12718	1.2
171.11714	2.8
173.13254	2.3
175.11125	1.4
175.14873	1.7
177.05597	0.9
177.09004	1.1
177.12781	3.2
179.10690	1.6
181.12297	1.0
183.02939	1.8
185.13239	1.7
187.14867	1.1
189.12794	6.4
189.16415	1.6
191.14291	2.1
191.18008	1.9
193.05061	1.2
201.16360	1.0
203.10760	1.5
203.14233	1.3
205.15668	0.9
207.13840	19.6
210.64833	0.8
211.14702	0.9
215.14355	1.4
221.22029	0.8
225.14833	2.9
227.09106	4.1
228.15720	1.0
244.07538	0.9
245.10207	10.2
257.18753	1.1
257.22552	1.0
267.06525	1.1
273.18405	1.1
287.23636	1.1
299.09183	3.3
307.26367	1.1
317.09964	1.0
397.31213	1.2
404.74789	0.9
433.33298	0.9
469.03952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01877	1.4
55.05514	14.0
57.03435	0.9
57.07073	2.5
61.02922	1.1
62.05437	1.0
65.91214	0.9
67.05507	6.9
69.03427	8.3
69.07079	5.3
71.04990	2.5
71.56657	1.8
79.05486	6.5
81.03410	4.2
81.07059	15.9
83.04986	100.0
83.08604	2.7
84.62041	0.9
85.02925	5.4
85.06542	2.8
91.05483	6.0
93.07058	11.0
95.04982	4.0
95.08618	14.5
97.02898	5.3
97.06537	1.9
97.10184	1.6
98.21078	0.9
99.04469	2.4
101.06033	3.5
105.07024	9.6
107.04924	1.4
107.08598	12.5
109.02908	2.1
109.06534	3.2
109.10162	10.6
111.04455	0.8
111.08118	1.9
117.07054	1.4
119.04921	1.6
119.08597	16.6
121.06524	3.6
121.10131	8.4
123.04440	7.0
123.08079	11.4
123.11720	5.4
125.05986	1.6
125.09635	1.4
127.03937	5.1
129.07001	1.7
131.08592	3.2
133.06514	2.2
133.10139	7.8
135.08044	5.1
135.11708	4.7
137.05980	7.0
137.09628	5.8
137.13286	1.8
139.03975	0.9
139.07515	1.2
139.11195	1.7
141.05475	1.4
143.08546	2.8
145.10107	4.5
147.04457	2.0
147.08041	2.9
147.11687	10.5
149.09641	3.8
149.13251	3.3
151.03949	1.2
151.07568	1.3
151.11179	1.6
153.01848	4.1
154.02168	1.2
155.02345	1.5
156.09348	1.6
157.10178	3.2
159.08067	1.0
159.11696	8.4
161.09631	2.9
161.13307	6.2
163.03955	2.7
163.07646	1.4
163.11201	3.3
165.05478	1.6
165.09142	2.5
165.12718	1.2
171.11714	2.8
173.13254	2.3
175.11125	1.4
175.14873	1.7
177.05597	0.9
177.09004	1.1
177.12781	3.2
179.10690	1.6
181.12297	1.0
183.02939	1.8
185.13239	1.7
187.14867	1.1
189.12794	6.4
189.16415	1.6
191.14291	2.1
191.18008	1.9
193.05061	1.2
201.16360	1.0
203.10760	1.5
203.14233	1.3
205.15668	0.9
207.13840	19.6
210.64833	0.8
211.14702	0.9
215.14355	1.4
221.22029	0.8
225.14833	2.9
227.09106	4.1
228.15720	1.0
244.07538	0.9
245.10207	10.2
257.18753	1.1
257.22552	1.0
267.06525	1.1
273.18405	1.1
287.23636	1.1
299.09183	3.3
307.26367	1.1
317.09964	1.0
397.31213	1.2
404.74789	0.9
433.33298	0.9
469.03952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05518	6.9
59.04974	1.2
65.86887	0.8
67.05491	3.2
69.03432	11.4
69.07053	2.3
71.04980	2.3
71.08690	2.0
73.06557	7.5
79.05498	3.5
81.03406	3.7
81.07058	5.2
83.04985	11.7
85.02894	6.1
91.05473	8.1
93.07037	9.2
95.02438	1.8
95.04954	2.9
95.08619	7.1
96.96906	0.8
97.02905	5.1
97.06532	1.0
98.21200	1.2
99.04459	2.1
101.06001	2.1
103.05477	1.1
105.07039	20.3
107.04969	1.2
107.08593	6.3
109.02867	3.3
109.06503	4.0
113.03489	5.8
114.03844	1.3
115.05441	1.1
117.07039	2.3
119.08582	26.1
121.06497	3.0
121.10121	4.1
123.04411	2.4
123.08038	4.3
127.03923	7.0
128.06216	1.5
129.06979	2.1
131.04935	1.3
131.08562	4.8
133.06485	4.0
133.10126	20.7
135.08051	5.9
135.11671	2.5
137.05988	1.5
137.09628	2.9
139.03906	1.6
141.07031	2.3
143.08566	4.6
145.05005	1.9
145.06540	1.6
145.10100	4.2
147.08028	12.1
147.11679	14.9
149.09628	14.7
149.13252	1.2
153.01837	10.0
154.02141	2.0
155.02350	1.7
156.09335	10.1
157.06461	0.9
159.08038	12.1
159.11713	3.8
160.08856	3.2
161.09622	7.8
161.13251	18.4
163.03865	1.1
163.11211	3.7
165.05530	1.0
171.08028	1.0
171.11685	12.3
173.09598	1.0
174.10408	31.4
175.14742	0.9
177.05478	1.0
179.10707	2.0
179.93591	0.9
187.11208	2.5
189.09119	2.9
189.12743	100.0
190.13116	1.1
191.14302	5.8
207.13811	22.5
239.06578	1.1
283.10190	1.9
299.09244	1.0
319.08270	1.4
351.14169	1.1
369.19000	2.8
469.03992	1.4
469.24850	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.05515	17.7
57.03438	4.6
57.07069	2.8
59.05000	2.5
65.03941	2.8
67.05499	11.7
69.03427	21.3
69.07061	7.2
71.05009	5.6
71.17805	3.9
71.18140	3.2
73.02901	2.6
73.06557	28.1
79.05497	10.9
81.03424	17.4
81.07059	17.4
83.04984	21.5
83.08640	3.9
85.02908	23.8
85.06534	4.8
91.05498	9.6
93.07043	17.2
94.20266	2.7
95.04974	6.2
95.08605	22.5
97.02905	24.6
97.06533	4.8
99.04456	7.6
101.05996	3.8
103.03944	2.7
105.07046	24.1
107.08610	23.1
109.02882	23.5
109.06544	6.1
109.10162	10.3
111.08076	3.5
112.03867	2.0
113.03460	6.3
113.09664	2.3
117.06999	3.7
119.04958	3.1
119.08588	29.0
121.06526	8.0
121.10146	14.4
123.04429	8.2
123.08101	11.7
127.03909	21.8
128.06129	3.1
129.07008	4.0
131.08560	5.5
133.06477	7.0
133.10141	32.0
135.08072	9.4
135.11734	6.9
137.02356	8.4
137.05995	11.2
137.09615	10.1
142.07869	2.4
143.08611	7.3
145.04984	9.3
145.10146	10.2
147.04424	3.8
147.08041	11.0
147.11688	14.8
149.09625	42.7
149.13281	4.0
151.07559	5.0
151.11203	5.4
153.01849	19.3
154.02203	3.4
155.08517	2.7
156.09338	9.3
157.10138	4.1
158.37260	2.8
159.08067	13.5
159.11630	4.5
160.08829	3.2
161.05930	3.4
161.09669	6.5
161.13260	19.2
163.03922	2.6
163.11142	17.0
165.09203	2.6
165.12811	4.1
171.11687	13.5
173.09689	3.3
173.13257	3.8
174.10402	28.0
179.10823	2.5
183.02951	5.2
187.06056	3.1
187.11203	3.3
189.12758	100.0
191.10603	2.6
191.14314	65.3
207.13806	73.7
239.06561	3.4
245.15474	2.9
249.14961	2.7
295.80215	2.8
299.09180	3.9
338.22324	2.4
369.19150	4.0
469.03561	4.5
469.33997	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	469.1357
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	2.1
55.21629	0.9
57.03436	1.6
69.03423	3.2
70.94990	1.6
70.95319	1.3
73.02909	3.1
79.01843	5.0
79.05474	1.5
81.03418	5.2
83.90005	1.0
85.02898	9.0
91.05470	2.0
93.50294	1.0
97.02893	3.9
97.06490	1.2
103.03951	2.9
103.05485	1.5
105.06992	2.2
107.01340	1.7
109.02876	2.6
113.40977	1.0
119.04955	2.1
123.04417	4.1
124.07574	1.3
125.02359	3.8
127.03929	4.2
128.06183	1.1
129.07002	2.7
131.04935	1.9
133.06480	3.2
137.05963	10.2
139.03909	1.3
143.03387	6.5
145.06467	2.0
147.04402	6.7
147.08035	1.3
149.05957	3.0
151.07553	5.0
153.01833	100.0
153.02898	5.0
154.02158	2.2
155.02324	1.8
157.06529	3.1
158.72255	1.1
161.06003	6.2
163.03903	1.9
163.07646	1.2
165.05470	12.5
167.07013	1.2
171.02858	3.7
171.07986	1.9
173.06009	2.6
175.07515	4.9
177.05418	2.3
178.04973	2.0
178.08632	2.5
179.05518	2.1
179.07043	5.9
181.04967	1.0
181.06471	3.0
185.05962	2.2
187.07365	1.3
189.05472	1.7
191.07036	3.7
195.02875	1.7
199.07570	3.2
201.05551	1.0
203.07069	9.8
206.04500	3.7
213.03935	2.1
215.06996	1.6
217.08630	4.8
221.08002	5.5
227.07059	2.4
233.08060	2.2
245.08084	13.7
247.10664	2.6
255.04930	5.1
263.09152	10.0
265.11981	1.2
271.10983	1.0
281.10162	2.0
289.12048	1.2
299.09024	1.7
307.08170	1.1
307.12845	7.4
315.07047	2.6
335.03958	1.2
336.04196	2.0
337.04541	5.4
433.10855	1.4
433.15637	2.1
451.17505	1.8
469.04080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12418	0.9
53.03745	1.0
53.03950	11.7
55.01862	3.5
57.03446	1.2
61.02923	2.0
65.03929	3.8
67.05498	7.5
69.03413	3.3
69.64428	1.0
71.17715	2.0
77.03922	1.5
79.05502	2.7
81.03422	2.9
81.07054	1.1
85.02909	2.0
91.05470	4.6
93.07047	1.2
95.04971	73.0
96.05264	1.3
97.02902	2.8
99.08114	1.0
105.03408	1.1
105.04513	3.1
105.07014	1.5
107.04920	2.2
107.08597	1.3
108.02098	1.7
109.02848	1.5
109.06497	3.4
110.03651	1.5
111.04445	1.9
113.03490	6.2
119.04917	2.0
122.03590	1.2
123.04433	81.7
124.05343	1.0
125.02358	2.5
127.03937	3.1
132.84166	1.1
133.02831	4.2
133.06483	3.0
135.04420	2.3
136.07593	1.5
137.05983	8.7
138.32587	1.0
139.03873	1.9
140.04689	26.6
147.04411	2.6
149.05975	3.5
151.03891	2.8
151.07501	2.0
153.01822	7.7
153.05482	5.5
154.02220	1.6
154.06281	1.1
155.07028	48.1
161.05952	1.1
163.03900	3.1
165.05507	9.3
166.06250	1.5
167.07054	19.3
177.05435	6.0
179.07074	3.3
180.07773	3.6
181.04959	28.7
183.06537	100.0
184.06927	1.2
189.03792	1.3
193.04968	4.3
195.06552	7.2
197.08122	1.2
207.06544	3.4
208.07323	12.8
209.08060	5.9
222.78635	1.1
223.83101	1.2
225.07565	22.7
226.08392	5.8
227.09172	3.4
273.10858	1.6
299.09235	1.4
343.15482	1.1
352.13306	1.1
359.11465	1.4
390.54306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50938	0.9
51.02375	1.4
53.03951	9.1
55.01866	3.8
55.81139	0.9
61.02924	1.9
65.03939	3.6
67.05508	5.6
69.03433	2.3
69.65529	5.6
71.01347	1.1
73.77428	1.0
74.06069	2.7
77.03909	1.1
79.01847	1.0
79.05494	3.9
79.42211	1.0
81.03415	3.0
81.07047	3.2
82.04200	1.0
83.94102	1.1
85.02895	3.3
91.05487	4.6
93.07051	2.3
95.02497	0.9
95.04971	71.5
97.02877	2.6
97.06507	1.4
98.21348	2.0
105.03397	1.5
105.04536	4.6
105.07056	1.1
107.04956	2.7
107.08627	1.2
108.02099	2.8
109.02890	2.1
109.06521	1.8
109.80878	0.9
110.03638	1.5
111.04430	2.1
113.03472	2.8
119.04934	2.9
121.06522	2.8
123.04433	78.8
124.05212	0.9
125.02372	2.7
125.06005	1.5
127.03923	3.6
127.07628	1.2
133.02850	3.5
133.06502	1.9
135.04391	1.9
137.05980	11.1
139.03905	2.4
140.04686	24.6
147.04431	5.4
149.05945	2.6
151.03908	2.8
151.07552	2.6
153.01828	14.0
153.05493	4.3
153.06929	0.9
154.02184	1.6
155.02348	1.8
155.05760	2.2
155.07033	46.0
161.05951	1.3
163.03914	3.2
165.05496	7.5
166.06277	1.5
167.07050	19.2
177.05490	6.5
179.07005	2.6
180.07791	3.6
181.04974	26.2
181.06429	1.8
183.06535	100.0
184.06931	1.1
187.07581	1.2
193.04930	5.6
195.06566	6.0
197.08070	1.5
205.04764	1.6
207.06543	4.1
208.07333	9.3
209.08034	7.4
225.07565	24.5
226.08302	5.9
227.08984	1.7
243.08461	1.2
272.10443	2.0
273.11023	5.5
276.02496	1.6
299.09262	1.8
307.12640	0.9
469.03802	3.5
469.16971	2.3
486.41037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
69.03377	0.5
71.36736	1.1
74.66434	0.6
81.03423	1.4
85.02888	1.2
95.04911	0.7
97.02905	0.8
98.20926	0.8
109.02871	2.6
112.38031	0.5
123.04432	1.1
133.02861	1.7
137.02321	1.0
137.05972	0.9
139.03889	1.6
146.03624	1.0
153.01859	2.5
153.06952	0.8
154.08603	0.8
163.03899	2.7
165.01857	1.9
165.07033	1.8
167.03432	0.9
173.02362	0.6
174.03102	0.9
175.03899	1.1
177.01820	1.3
179.03490	0.7
181.06438	0.9
187.03943	1.7
191.03432	3.4
192.04160	2.1
193.01350	1.9
193.06517	1.7
195.02902	13.8
197.05951	0.8
201.01857	2.5
202.02531	3.4
205.01259	0.8
205.06563	1.2
209.06026	2.2
215.03423	1.7
219.02837	4.7
220.03687	2.8
221.05981	4.7
227.06938	0.8
229.01215	1.3
230.02167	4.0
231.02773	1.5
237.05501	4.3
239.06949	1.0
245.00969	1.2
247.02332	5.2
248.03018	1.6
249.05502	4.7
253.04941	0.8
255.06622	2.3
258.01630	1.3
259.02393	2.3
261.05536	1.2
265.04965	5.7
267.06516	1.0
275.01743	10.5
276.02655	40.5
277.03018	8.3
281.04382	1.1
283.06030	2.6
287.03586	0.8
293.04456	5.5
295.06104	1.9
297.03989	0.9
305.04370	5.0
307.08069	0.9
307.12976	1.6
311.05539	6.2
315.02722	0.8
321.03967	7.6
323.05463	1.5
325.03537	0.7
333.03940	5.1
337.03345	1.3
339.04892	4.2
349.03461	6.7
351.05103	2.2
353.03058	1.0
361.03445	6.1
365.02911	1.4
367.04474	5.3
377.02936	5.2
379.04666	3.2
389.02866	5.3
395.03976	9.6
405.02383	6.3
407.04242	3.9
413.05072	0.8
423.03519	10.6
433.01917	2.1
441.04337	0.9
451.03018	20.3
468.25885	0.7
469.04022	100.0
470.04099	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	468.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95136	1.4
69.03432	3.1
71.17940	2.1
79.01833	3.3
81.03420	6.7
83.04960	2.8
83.16602	1.3
84.08139	2.6
84.09426	1.2
85.02901	5.7
85.23627	1.1
97.02909	7.0
97.37508	1.1
98.21113	1.6
101.06007	1.4
109.02885	6.3
116.79339	1.4
125.02338	5.0
127.03938	8.6
139.03842	1.7
143.03378	6.5
145.04932	1.9
150.92476	1.1
153.01836	100.0
154.02159	6.6
155.02266	1.9
160.07913	1.3
171.02879	8.8
206.10204	1.5
217.15845	1.2
265.84119	1.2
275.01721	1.7
276.02707	3.6
282.05081	1.3
297.06210	7.9
303.13324	3.4
315.07138	18.7
321.14423	1.5
333.04041	1.5
361.40097	1.4
394.02435	1.5
422.02222	2.9
440.03293	1.7
468.02795	1.6
468.19876	8.4
469.03885	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	468.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
54.69543	1.6
55.01868	12.4
57.07072	7.7
59.04993	2.6
61.02935	1.7
63.11452	1.5
67.05495	4.7
69.03425	11.5
69.07068	7.4
70.02950	5.5
70.50484	3.5
70.50846	2.9
71.04996	2.2
72.04518	24.2
73.02920	11.9
74.02435	2.8
81.03420	22.0
81.07045	1.7
82.57721	1.3
83.04977	7.8
85.02888	10.7
85.06546	9.4
86.09700	4.9
87.08113	2.6
90.05562	39.6
95.04449	1.5
95.04967	8.9
96.08136	2.4
97.02895	13.4
98.02412	24.5
98.21294	2.0
99.04449	7.5
100.03968	7.4
103.07587	4.0
109.02885	30.8
111.04385	1.7
112.07620	2.1
113.06010	4.6
115.03989	2.2
116.03474	22.8
124.07600	26.5
127.03921	13.6
130.08621	3.2
132.06578	10.0
142.08633	18.3
143.03368	2.1
145.04958	8.7
153.01825	20.5
153.02940	1.9
154.02161	7.6
154.08665	2.0
156.10187	2.1
160.09740	7.2
166.08653	4.6
172.09686	6.2
174.11296	4.4
184.09706	40.2
187.06093	2.1
198.07594	3.7
199.06010	6.6
202.10756	100.0
203.11403	3.3
211.09666	8.1
216.08743	5.5
217.07109	4.1
220.11794	29.4
230.10257	13.3
234.09793	9.5
244.11868	4.1
262.12933	22.4
303.10812	1.5
305.15024	1.6
310.12900	12.9
312.95062	1.5
320.13290	1.6
328.13907	78.1
334.54517	1.5
346.14926	13.0
364.16040	29.5
450.19354	1.9
468.19995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22251	0.6
69.03442	0.5
69.08778	0.5
74.14527	0.5
77.11408	0.5
81.03401	1.6
84.04510	0.7
84.08127	3.4
98.21114	3.1
105.89245	0.5
109.02909	2.4
123.04420	0.7
133.02835	1.0
137.02336	1.7
146.03630	1.3
147.04427	0.6
153.01837	2.2
153.07016	0.8
155.03386	0.9
163.03896	2.2
165.01851	1.6
165.07039	1.3
173.02382	1.1
174.03119	1.3
177.01878	1.4
179.03404	0.9
181.06511	0.6
187.03879	0.9
191.03435	3.2
192.04204	1.1
193.01367	2.3
193.06480	1.7
195.02919	15.2
195.04608	1.2
201.01913	1.6
202.02635	3.5
205.06540	1.0
209.06067	1.5
215.03362	1.0
219.02884	4.7
220.03696	2.2
221.06003	4.3
227.06923	0.6
229.01347	1.0
230.02061	3.5
231.02876	1.6
237.05455	3.3
241.05011	0.6
247.02240	3.4
248.03127	2.1
249.05479	4.5
255.06490	1.2
257.00815	0.8
258.01559	1.7
259.02194	1.3
261.05551	1.1
265.04907	4.3
267.06616	1.0
269.04471	0.9
275.01758	9.5
276.02655	44.1
277.03046	9.4
283.06061	2.2
285.03952	0.7
287.03540	1.0
289.04993	0.9
293.04364	5.2
295.06073	2.0
297.03989	1.0
303.02975	0.7
305.04495	4.4
311.05527	6.1
313.03384	0.6
315.02689	0.9
321.03882	6.7
323.05542	2.0
325.03561	0.9
331.02365	1.2
333.04010	5.3
337.03500	1.2
339.04965	5.2
349.03391	7.5
350.04031	0.7
351.04999	3.3
361.03439	5.9
365.02905	1.3
367.04553	6.8
377.02853	4.3
379.00449	0.8
379.04636	2.5
389.03046	4.8
393.02411	0.6
395.04041	10.6
405.02417	7.2
407.04205	3.2
422.02869	0.7
423.03479	8.3
433.02057	2.6
441.04453	0.9
450.96515	0.9
451.02945	19.9
469.04034	100.0
470.04285	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56550	0.5
51.82092	0.5
53.03942	0.8
53.29126	0.4
55.01896	0.6
55.05512	11.7
57.03437	2.0
57.07078	35.6
59.05012	4.3
60.85682	0.5
65.03944	2.9
67.05505	100.0
68.54106	0.5
69.03416	0.7
69.07069	10.0
71.04997	3.0
71.08633	23.7
71.57392	0.5
79.05498	4.0
81.03438	0.5
81.07059	27.2
83.08620	13.8
85.06548	3.5
85.10185	12.7
91.05488	4.8
93.07044	3.5
95.04977	1.0
95.08609	26.8
97.10173	5.4
99.08121	0.9
99.11732	1.4
105.07018	1.4
107.08603	2.7
109.10157	77.2
110.10526	0.9
111.08092	3.0
111.11709	1.6
113.13203	0.6
119.08576	5.6
121.10130	0.8
123.11709	5.2
125.13245	1.1
127.11092	0.5
131.08528	0.6
133.10120	0.6
137.09625	4.5
137.13297	2.1
137.78714	0.5
145.10112	0.5
151.14821	1.5
155.10634	4.1
158.92171	0.6
165.16399	0.6
169.08595	0.6
173.11745	26.7
187.14870	1.0
221.22641	1.2
239.23720	8.3
289.07010	0.8
338.15335	0.5
449.36307	0.9
467.37332	91.8
468.37848	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
51.08672	0.6
52.54114	0.6
53.03951	1.0
55.05516	12.6
57.03443	1.9
57.07080	33.9
58.11761	0.7
59.05016	4.1
65.03950	1.8
67.05508	100.0
69.07071	7.0
69.96983	2.7
71.04994	3.2
71.08635	25.5
79.05512	2.7
81.07060	26.3
83.08625	16.4
85.06544	3.0
85.10185	9.9
91.05484	5.6
93.07043	3.4
95.04991	0.8
95.08609	24.6
97.10185	5.6
98.21001	2.0
98.21597	0.8
99.11728	0.8
105.07039	1.3
107.08598	2.0
109.10162	76.6
111.08079	1.7
111.11739	1.3
119.08575	5.7
123.11721	4.6
125.13292	1.0
128.62152	0.7
137.09589	4.1
137.13263	1.7
155.10678	4.3
173.11751	24.4
173.43910	0.6
174.39841	0.7
189.16385	0.7
198.40038	0.7
239.23705	8.4
322.91183	0.8
467.37360	82.2
468.37646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05515	13.8
57.03426	2.6
57.07081	32.8
59.04994	3.4
65.03939	3.2
67.05509	100.0
67.45993	0.8
68.20869	0.9
69.03442	0.8
69.07074	11.2
71.04989	2.6
71.08636	21.9
71.58358	1.3
79.05501	4.1
81.07067	28.8
83.08625	13.6
85.06532	3.4
85.10191	12.3
89.06049	1.3
91.05487	8.3
93.07057	5.3
95.04928	1.2
95.08613	25.6
97.10203	5.1
99.11733	1.0
105.07028	3.3
107.08599	3.0
109.06473	1.4
109.10165	73.7
110.10509	1.1
111.08086	2.8
111.11737	1.5
119.08615	5.3
121.10127	1.2
123.11664	4.8
125.13260	1.4
133.10152	3.2
135.11702	0.9
137.09634	3.0
137.13277	2.4
145.10165	1.1
147.11732	1.1
155.10709	4.1
167.03458	1.0
173.11749	22.8
173.13168	1.6
173.35033	0.7
206.51758	0.8
237.11356	0.8
239.23729	8.2
327.53796	0.9
388.52414	0.9
449.35641	3.2
467.32318	3.0
467.37381	76.3
468.37714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05512	10.2
57.03426	2.6
57.07078	38.4
59.04987	3.0
63.75108	0.8
65.03934	2.9
67.05507	100.0
69.03463	1.3
69.07076	9.4
69.72849	5.3
71.04983	2.8
71.08631	26.5
74.82349	1.0
79.05478	4.5
81.07058	30.6
83.08622	17.5
85.06532	2.8
85.10190	16.7
90.40923	0.9
91.05475	7.2
93.07052	4.4
95.04962	0.8
95.08611	27.1
97.06547	0.9
97.10162	5.0
98.20739	1.5
98.21323	2.2
98.98473	1.5
99.11719	1.7
105.07029	1.2
107.08611	2.9
109.10159	78.9
111.08097	3.6
111.11700	1.6
119.08598	6.2
122.40733	0.8
123.11729	4.3
125.13277	1.0
133.10130	1.5
137.09622	3.7
137.13251	2.0
143.12646	0.8
145.10234	1.2
151.14754	1.3
155.01112	1.2
155.10663	4.4
173.11752	31.0
211.13344	1.0
239.23724	8.7
313.27396	2.2
428.34628	0.9
456.02298	1.0
467.37360	95.1
468.37769	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.33030	0.7
55.05514	14.1
57.03432	2.1
57.07078	33.7
59.05014	3.8
59.62983	0.8
65.03940	2.5
67.05507	100.0
69.07066	10.5
69.68768	5.0
71.04994	3.6
71.08633	22.4
74.77831	0.8
79.05495	3.3
81.07059	28.0
83.08623	15.3
85.06548	3.5
85.10187	15.1
87.48103	0.8
91.05476	6.4
93.07050	5.1
95.08607	28.7
97.10169	4.5
98.21084	2.4
99.11734	1.0
105.07024	1.6
107.08588	3.1
109.10160	79.2
110.10551	1.0
111.08089	2.2
115.61011	0.7
119.08581	5.4
119.43365	0.8
123.11682	5.3
125.13262	1.3
133.10133	2.2
137.09625	3.2
137.13286	2.6
145.10106	0.9
151.14841	1.1
155.10635	4.3
173.11745	25.4
178.71335	0.8
221.22665	0.8
239.23720	10.7
264.42953	0.8
267.00101	0.8
467.37344	87.8
468.37369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
57.03427	2.7
57.07076	38.1
58.97305	0.8
59.05004	5.0
61.19759	0.8
65.03934	3.4
67.05503	100.0
68.05820	1.0
69.07071	10.5
70.65511	0.7
71.04985	2.9
71.08633	25.5
71.46043	0.7
71.57178	1.0
79.05499	4.0
81.03383	1.0
81.07058	31.5
83.08140	1.2
83.08620	16.1
85.02915	1.1
85.06546	5.3
85.10180	15.1
89.06031	4.3
91.05488	8.1
91.35857	0.8
93.07050	5.9
94.66351	0.8
95.08606	29.1
97.06531	1.0
97.10165	5.7
98.98515	1.2
99.08110	0.8
105.07029	2.5
107.08591	4.9
109.06508	1.1
109.10155	81.4
111.08060	2.5
111.11745	1.4
119.08587	7.9
121.10173	1.7
123.11704	5.0
125.06018	1.1
125.13285	1.7
127.03862	0.7
127.11186	0.8
131.08568	1.1
133.08594	1.9
133.10155	1.6
135.11638	1.2
137.09631	3.6
137.13264	2.6
147.11714	1.1
149.13203	0.8
155.00969	1.4
155.10611	3.9
163.78932	0.8
171.11705	0.9
173.11734	27.0
175.14796	0.8
177.11259	1.3
221.22710	1.4
239.23668	8.8
278.11389	0.8
283.17517	2.7
313.27377	4.5
467.37338	88.7
468.37939	1.4
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
53.03942	4.3
55.05515	16.7
57.07057	5.5
65.03934	3.8
67.05507	25.1
67.57948	3.0
69.03413	7.0
69.07056	14.9
69.25270	9.6
69.25694	26.0
71.04982	4.1
79.05495	23.4
81.06637	4.7
81.07068	51.9
83.04993	22.2
83.08632	8.2
85.06532	5.3
91.05476	37.7
93.07043	46.0
95.04405	3.3
95.04968	12.6
95.08615	65.7
97.06529	5.6
98.21106	17.3
99.08115	3.1
103.05438	4.0
105.07037	83.0
107.08604	74.4
109.06521	13.7
109.10159	35.2
110.00652	3.2
117.07030	19.1
119.08585	100.0
121.06485	4.4
121.10150	57.0
123.08056	8.8
123.11726	21.9
125.09574	11.2
128.06232	8.9
129.06978	12.1
130.07771	7.2
131.08574	50.7
133.10138	59.2
135.11690	16.2
137.05975	5.0
137.09618	4.2
137.13228	3.9
141.06958	9.7
142.07787	14.8
143.08560	34.4
144.09344	7.3
145.09026	6.4
145.10132	96.5
146.05441	3.2
147.08009	5.3
147.11700	29.9
149.09648	5.5
149.13261	12.0
151.11188	7.1
153.01825	34.7
155.08554	14.8
156.09335	11.0
157.10121	48.5
159.11720	70.0
161.09637	4.7
161.13295	22.2
163.07512	7.1
163.11171	5.2
163.14793	7.2
165.12793	4.6
168.09279	5.9
169.10112	15.2
170.10878	12.3
171.11707	31.3
173.09738	4.1
173.13272	46.8
175.11191	4.2
175.14819	25.6
177.12775	8.1
177.16359	7.7
181.10149	5.4
182.10974	5.5
183.11696	35.6
184.12463	7.4
185.13272	44.9
187.14838	74.5
189.12790	4.5
189.16374	16.4
191.14420	8.4
195.11711	7.0
197.13234	24.5
199.14835	53.2
201.12775	39.1
201.16411	37.6
203.14305	20.6
203.18060	3.9
205.12231	6.4
205.15883	38.4
209.13242	9.9
211.14780	20.8
213.16368	14.2
215.14246	10.4
215.17860	8.2
217.15858	20.8
219.17482	9.6
221.15355	4.6
223.14845	9.0
225.16431	5.7
227.17975	7.4
229.15831	9.8
231.17545	7.2
233.15370	5.3
237.16396	8.4
239.17804	5.8
245.15396	4.8
247.13246	14.6
251.17946	7.9
253.19554	4.5
255.17136	3.5
265.19565	6.5
271.16949	4.5
279.20917	4.5
283.20081	3.9
403.29968	26.4
405.31613	12.1
421.31049	32.7
431.29813	7.3
437.30026	5.3
449.30551	27.9
467.31671	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.3
51.02379	0.7
53.00320	0.2
55.01872	0.3
55.05508	0.3
57.03418	0.2
62.00578	0.1
67.05492	0.4
69.03069	0.3
69.03429	3.6
69.07060	0.5
69.42209	0.9
71.04972	0.3
79.01395	0.3
79.01855	5.3
79.05496	0.5
81.03429	0.8
81.07061	1.2
82.07382	0.2
83.04966	0.3
85.02892	0.2
85.06528	0.2
87.00861	0.2
91.05513	0.3
91.63723	0.1
93.07030	0.5
95.04968	0.2
95.08621	1.0
97.02898	1.3
97.10184	0.2
98.20762	0.3
98.21416	0.3
101.87159	0.1
105.07014	0.5
107.01318	1.2
107.04979	0.2
107.08583	0.7
109.02884	0.7
109.06544	0.3
109.10149	0.4
116.37405	0.1
119.08582	0.7
119.09371	0.1
121.06563	0.2
121.10146	0.4
123.00819	0.3
123.11707	0.3
125.02357	3.5
125.05971	0.2
127.03916	5.3
133.10152	0.5
135.08116	0.2
135.11696	0.3
137.05962	0.4
137.13245	0.3
143.03403	7.8
143.08525	0.2
145.10164	0.3
147.04448	0.2
147.11714	0.3
149.09598	0.2
151.03865	0.2
153.01831	100.0
153.02827	4.6
154.02148	0.7
161.09590	0.2
161.13242	0.2
163.03941	0.2
163.11192	0.3
171.02899	0.4
175.14684	0.2
187.14915	0.2
191.03426	0.4
195.02969	0.4
195.11945	0.2
199.14828	0.2
209.04489	0.1
213.03928	0.5
230.97157	0.2
233.04367	0.2
237.04063	0.7
261.03952	0.3
276.31747	0.1
279.04950	0.7
297.06030	1.1
344.80334	0.1
423.15411	0.2
449.07095	0.5
467.08212	0.8
467.14313	0.4
467.32022	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	467.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.1
57.11026	0.9
61.69819	1.0
64.59308	1.0
69.03427	4.3
70.26096	3.6
79.01861	3.7
80.09447	1.0
81.03421	3.6
85.02911	4.2
97.02901	3.8
98.20942	2.2
98.97578	4.0
107.01328	1.2
109.02905	3.7
116.07021	1.2
116.98651	2.0
119.22070	1.0
125.02370	3.2
127.03922	6.7
143.03432	8.3
143.53212	1.1
153.01834	100.0
153.02803	3.9
154.02174	1.2
156.03346	2.5
158.99605	1.9
171.02922	7.2
174.04385	4.0
177.00789	1.3
186.04359	4.3
204.05415	4.6
219.01747	1.6
237.02721	1.7
277.03525	1.6
286.23947	1.1
297.06058	3.8
297.11365	2.1
315.07089	6.9
327.71185	1.1
331.19897	1.1
356.06555	2.4
393.02414	1.3
406.68265	1.1
467.02798	2.4
467.11542	1.3
485.00073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03941	6.3
55.01862	6.1
55.05513	23.9
57.07091	6.6
62.30134	2.8
65.03954	4.1
67.05507	47.2
69.03435	34.4
69.07069	23.9
70.58560	5.8
70.58930	6.4
70.64149	2.6
71.04993	7.4
79.05488	45.5
80.58704	3.1
81.03418	10.6
81.07059	92.7
83.05004	14.2
83.08614	11.4
85.06555	6.2
89.25102	2.8
91.04952	2.6
91.05482	57.8
93.07048	62.3
95.04974	30.2
95.08610	73.5
97.05972	2.6
97.06512	15.6
98.21000	5.1
99.04462	15.8
101.31037	2.7
103.05492	5.3
105.07038	90.7
107.04952	3.8
107.07865	3.7
107.08593	64.8
109.06499	20.6
109.10149	37.2
110.13184	3.1
111.08079	4.3
115.05464	6.4
116.06203	3.2
117.07025	16.9
119.08584	100.0
121.06530	9.5
121.10148	55.7
121.11004	3.3
122.10462	2.9
123.04408	2.9
123.08038	8.2
123.11695	14.0
125.05995	12.6
127.07560	13.7
128.06195	6.7
129.07031	14.7
131.08585	51.1
133.06490	3.4
133.10135	54.9
135.08034	8.8
135.11711	22.3
137.05995	5.4
137.09631	5.9
137.13277	5.1
141.05515	6.5
142.07806	12.0
143.08563	35.4
144.09361	6.0
145.10127	65.8
147.08060	5.9
147.11681	31.4
149.09601	9.2
149.13290	8.6
151.11185	4.6
153.01804	8.6
153.05498	6.1
155.08607	7.2
156.09320	9.7
157.10130	42.4
159.11713	43.6
161.09621	8.8
161.13251	32.5
163.11113	8.2
163.14819	8.4
167.03377	5.6
167.08516	4.9
167.10725	3.4
169.10161	16.2
170.10881	4.8
171.11679	30.3
173.11800	3.3
173.13239	33.1
175.11179	3.7
175.14832	17.3
177.09047	5.0
179.10677	4.1
181.09972	3.4
182.10895	4.6
183.11700	13.5
185.13280	35.0
187.14836	39.2
189.16391	15.0
191.10686	4.1
191.14320	6.7
193.12201	3.9
195.11794	6.9
195.13692	3.9
197.13261	20.0
199.14830	37.7
201.12880	3.6
201.16418	19.7
203.14343	7.9
205.15860	7.3
207.13846	3.0
209.13277	10.1
211.14835	15.0
213.16411	29.6
215.14359	11.4
215.17868	6.8
217.15874	15.0
221.15349	8.3
225.16417	8.1
229.15964	7.3
231.13712	7.1
231.17450	6.4
233.15405	9.5
235.16895	5.5
237.16403	4.4
239.15968	3.3
239.18138	8.3
241.19487	5.3
245.15373	6.2
247.16893	6.8
259.17007	10.6
265.19366	6.7
267.21219	3.5
273.18472	7.7
373.29135	3.5
375.25488	3.3
393.27692	5.9
403.29996	12.5
413.30148	5.7
419.29538	5.2
421.31070	27.6
431.31247	14.1
449.30573	19.4
467.31671	90.6
468.32117	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02377	0.9
55.01862	0.7
61.02924	0.7
68.99786	0.5
69.03432	2.8
70.89256	0.7
70.89558	0.4
73.02541	0.6
73.02917	5.6
75.25175	0.4
75.58840	0.4
79.01855	5.7
81.03431	2.1
81.07034	0.4
83.04958	0.4
85.02901	0.7
97.02882	1.7
98.21094	0.5
107.01308	1.3
109.02886	1.3
121.02805	0.5
123.04420	0.7
125.02351	3.8
127.03905	3.2
132.67099	0.4
135.04468	0.4
137.05998	1.0
139.03938	0.6
143.03391	8.2
147.04439	0.7
153.01839	100.0
153.02858	4.7
154.02194	0.5
155.75716	0.4
159.04549	0.4
163.03944	0.7
165.01913	0.4
168.46330	0.4
169.01312	4.1
171.02905	1.2
177.05623	0.4
180.14568	0.4
181.01360	1.2
185.00876	0.5
186.62692	0.4
191.03445	1.0
191.20364	0.4
195.03024	0.4
205.04930	0.6
215.03412	0.8
233.04597	1.1
237.03989	0.6
261.03983	1.9
279.05045	1.0
287.13812	0.7
289.03409	1.4
297.06195	1.2
303.01334	0.5
305.01984	0.6
305.14957	1.0
317.03000	0.7
335.03983	40.2
336.04288	0.5
338.73288	0.4
429.64771	0.5
467.02420	0.7
477.54852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02377	0.5
53.03942	0.5
55.01862	0.2
67.03011	0.2
67.05502	0.7
68.01372	0.3
69.03428	3.5
69.07076	0.3
71.04997	0.5
71.31300	0.3
77.45680	0.2
78.91132	0.2
79.01855	5.5
79.05470	0.4
81.03415	2.5
81.04506	0.2
81.07059	0.9
83.01337	0.2
83.04997	0.3
85.02907	0.8
88.53798	0.2
91.05476	0.5
93.07027	0.7
95.02448	10.0
95.04990	0.4
95.08610	0.8
97.02886	6.2
99.04430	0.5
105.07009	0.4
107.01321	1.3
107.08589	0.7
109.02872	1.4
109.06519	0.3
109.10175	1.0
111.08080	0.3
113.03488	42.9
119.08591	0.7
121.02852	0.3
121.06522	0.3
121.10133	0.6
123.04449	0.3
125.02349	3.0
125.06007	0.2
127.03917	8.3
133.10104	0.4
135.04446	0.3
135.11719	0.5
137.05983	0.6
137.09610	0.5
143.03397	7.4
145.10117	0.5
147.04384	0.2
149.13261	0.2
151.11267	0.2
153.01826	100.0
153.02846	4.4
154.02112	0.8
155.04523	1.2
157.20819	0.2
159.11742	0.3
163.03873	0.2
166.08624	0.3
166.75922	0.2
167.06978	0.2
167.25491	0.2
171.02902	0.3
173.13145	0.2
177.05367	0.2
183.02890	0.3
191.03392	0.6
195.02898	0.3
201.29962	0.2
208.26535	0.2
213.03896	0.4
215.96170	0.2
221.05618	1.9
237.03925	0.9
239.06622	17.7
257.07693	3.2
279.04971	1.1
297.06061	0.8
304.05310	0.2
305.05408	0.5
343.08170	0.2
437.39978	0.2
449.06964	0.7
449.30945	0.2
467.08151	0.6
467.23978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3581
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
54.50702	1.3
55.05516	18.4
57.03413	1.2
57.06825	1.5
57.07086	20.3
57.39974	1.4
67.05215	1.6
67.05507	17.1
69.03421	1.8
69.07076	29.9
71.08631	3.8
71.57699	1.9
79.05486	5.3
81.07060	31.6
83.01347	8.8
83.05001	2.2
83.08624	17.9
85.02910	4.7
85.06555	7.5
85.10174	2.0
89.06033	10.7
91.05499	3.2
93.07069	10.4
95.08609	25.3
96.08896	1.7
97.06563	2.3
97.10173	11.2
105.07022	5.1
107.04990	2.0
107.08591	8.0
108.05312	1.5
109.06504	4.4
109.10156	19.9
111.08063	3.1
111.11745	2.1
119.08575	4.2
121.06511	4.0
121.10167	6.2
123.08077	4.9
123.11729	11.6
125.06012	6.8
125.09637	1.3
127.93571	1.1
131.08525	2.1
133.08592	6.9
133.10118	3.1
135.08102	3.1
135.11659	4.1
137.05959	5.1
137.09653	3.8
137.13243	5.8
139.07542	14.3
141.05513	1.5
143.08620	1.9
145.10139	3.3
147.11662	1.8
149.05942	1.6
149.09627	2.4
149.13258	3.1
151.07570	7.1
151.11182	2.1
153.05511	4.3
153.09076	2.2
155.07008	1.4
157.04924	2.9
159.11699	3.5
161.09648	2.2
161.13228	2.0
163.07567	1.5
163.11209	2.9
165.09077	1.7
165.12738	1.4
167.07033	10.0
167.10672	1.9
168.07460	1.6
169.07458	1.7
171.06499	2.7
173.11792	2.0
173.13181	1.4
175.11165	1.7
177.09183	1.9
177.11192	1.3
177.12666	1.9
179.10660	5.1
179.14305	1.6
179.17943	1.6
181.04886	1.6
181.08583	4.1
181.12285	3.0
186.81183	1.5
191.10674	1.8
193.12225	5.4
195.13847	1.9
205.12239	3.8
207.10245	1.9
207.13797	1.7
209.11658	1.7
219.13710	1.9
237.22031	1.6
249.18469	1.7
251.12813	1.8
275.20151	1.4
276.68036	1.3
283.17487	1.9
300.46338	1.4
303.04974	1.6
309.20749	2.2
328.11691	1.5
401.34201	11.0
411.32510	2.8
419.35098	2.2
429.33725	28.6
430.33765	1.4
447.34708	100.0
448.34900	3.7
465.29669	1.5
465.35666	8.6
486.91360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01864	2.2
55.05507	2.7
57.03447	4.5
57.07054	2.6
59.04995	1.0
61.02911	3.0
63.49277	0.8
67.05514	7.5
69.03430	10.4
69.07056	4.0
69.53699	3.9
69.54121	2.4
71.04982	1.3
73.02545	1.3
73.02917	13.6
78.31157	0.9
79.01847	1.3
79.05493	9.7
81.03424	2.9
81.07061	100.0
83.04973	1.2
83.08627	1.6
85.02907	22.0
87.04435	1.3
91.05468	2.4
93.07050	5.0
95.08049	1.5
95.08612	19.9
96.04493	2.8
97.02893	15.2
98.20930	1.3
98.21467	1.1
99.04454	1.6
105.07021	2.5
106.99054	0.9
107.04930	2.6
107.08582	4.1
108.05289	0.9
109.02897	3.0
109.06557	1.1
109.10155	3.7
115.03963	7.8
115.21407	1.1
115.84541	0.8
119.08594	1.9
121.06525	1.1
121.10143	2.0
123.11694	0.8
125.06013	1.1
125.09678	1.2
126.04823	1.1
127.03924	8.9
131.08560	0.9
133.04968	10.5
133.10138	1.8
135.08072	0.9
137.05972	2.2
137.13263	21.8
143.03391	1.4
145.04977	9.9
145.10127	1.3
147.08066	0.9
149.09602	1.1
149.13219	1.6
153.01834	20.6
153.02953	0.9
155.14343	1.0
157.10002	0.8
159.11726	2.1
161.09633	1.6
163.06052	5.0
165.05434	1.0
177.12769	1.8
178.04955	2.1
179.10698	1.3
181.29587	1.0
195.13820	1.3
200.15918	0.9
223.06046	1.7
241.07050	2.3
259.08099	3.2
269.17447	3.9
281.75833	0.8
291.52441	1.0
295.10144	1.0
304.05466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50702	1.3
55.05516	18.4
57.03413	1.2
57.06825	1.5
57.07086	20.3
57.39974	1.4
67.05215	1.6
67.05507	17.1
69.03421	1.8
69.07076	29.9
71.08631	3.8
71.57699	1.9
79.05486	5.3
81.07060	31.6
83.01347	8.8
83.05001	2.2
83.08624	17.9
85.02910	4.7
85.06555	7.5
85.10174	2.0
89.06033	10.7
91.05499	3.2
93.07069	10.4
95.08609	25.3
96.08896	1.7
97.06563	2.3
97.10173	11.2
105.07022	5.1
107.04990	2.0
107.08591	8.0
108.05312	1.5
109.06504	4.4
109.10156	19.9
111.08063	3.1
111.11745	2.1
119.08575	4.2
121.06511	4.0
121.10167	6.2
123.08077	4.9
123.11729	11.6
125.06012	6.8
125.09637	1.3
127.93571	1.1
131.08525	2.1
133.08592	6.9
133.10118	3.1
135.08102	3.1
135.11659	4.1
137.05959	5.1
137.09653	3.8
137.13243	5.8
139.07542	14.3
141.05513	1.5
143.08620	1.9
145.10139	3.3
147.11662	1.8
149.05942	1.6
149.09627	2.4
149.13258	3.1
151.07570	7.1
151.11182	2.1
153.05511	4.3
153.09076	2.2
155.07008	1.4
157.04924	2.9
159.11699	3.5
161.09648	2.2
161.13228	2.0
163.07567	1.5
163.11209	2.9
165.09077	1.7
165.12738	1.4
167.07033	10.0
167.10672	1.9
168.07460	1.6
169.07458	1.7
171.06499	2.7
173.11792	2.0
173.13181	1.4
175.11165	1.7
177.09183	1.9
177.11192	1.3
177.12666	1.9
179.10660	5.1
179.14305	1.6
179.17943	1.6
181.04886	1.6
181.08583	4.1
181.12285	3.0
186.81183	1.5
191.10674	1.8
193.12225	5.4
195.13847	1.9
205.12239	3.8
207.10245	1.9
207.13797	1.7
209.11658	1.7
219.13710	1.9
237.22031	1.6
249.18469	1.7
251.12813	1.8
275.20151	1.4
276.68036	1.3
283.17487	1.9
300.46338	1.4
303.04974	1.6
309.20749	2.2
328.11691	1.5
401.34201	11.0
411.32510	2.8
419.35098	2.2
429.33725	28.6
430.33765	1.4
447.34708	100.0
448.34900	3.7
465.29669	1.5
465.35666	8.6
486.91360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
54.35867	4.7
55.01866	8.9
55.05517	31.3
57.07069	11.9
61.64175	4.5
62.88933	4.8
67.05180	4.0
67.05513	71.6
69.07067	25.9
69.38174	10.6
69.38587	28.2
69.53497	4.5
71.04994	6.2
79.05505	51.0
81.07064	71.5
83.01344	8.1
83.04977	10.1
83.08632	20.2
85.06545	6.1
91.05489	35.8
93.07050	50.7
95.04993	14.4
95.08619	52.4
97.06548	14.5
98.20689	7.0
98.21361	14.0
98.98470	5.2
99.43103	4.2
105.07029	27.3
106.49543	3.9
107.08598	35.3
109.06499	9.2
109.10136	25.9
111.04417	6.5
111.08073	5.3
117.07010	6.7
119.08607	23.4
120.09645	4.9
121.06538	7.4
121.10175	18.5
123.04434	4.4
123.08099	4.4
123.11725	11.6
125.06023	23.6
127.03938	4.8
129.05585	4.0
129.07033	6.4
131.08582	15.2
133.10144	11.9
135.11700	16.4
137.05971	8.1
143.08586	8.0
145.10136	12.0
147.11763	9.7
149.06094	4.4
149.13275	10.6
151.03902	10.1
151.07561	11.4
153.05481	100.0
153.06732	6.3
155.07031	13.4
157.10188	5.8
157.96838	4.7
159.11694	6.0
165.05481	6.3
167.07042	20.1
171.06583	20.7
171.07965	5.8
171.11734	4.5
175.14920	5.4
177.09193	4.7
179.03458	9.1
181.05009	45.3
187.14874	7.2
191.07066	6.1
197.04369	7.9
207.06572	8.6
209.07964	4.2
231.10320	4.7
261.27997	4.8
291.16196	5.7
303.05096	11.9
346.67206	4.3
403.44424	4.5
411.25409	8.2
429.25903	9.5
465.33957	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	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76123	1.7
53.03936	7.8
55.01875	7.9
55.05510	37.2
56.48843	1.9
57.03438	20.7
57.07070	5.4
59.05000	3.0
62.59530	1.8
65.03941	6.4
67.05508	93.8
69.03436	12.2
69.07065	32.3
70.58027	1.9
71.01344	6.6
71.04987	13.1
71.56635	2.9
79.05494	86.7
81.03426	58.9
81.07059	77.9
83.04982	27.6
83.08622	26.6
85.02908	27.8
85.06551	8.4
88.71127	2.0
91.05484	61.5
93.07047	88.4
95.04971	42.7
95.08611	36.9
97.02879	5.0
97.06542	19.1
97.10161	18.1
99.04488	2.4
99.08095	5.4
105.04520	2.6
105.07032	43.4
107.04968	9.2
107.08606	54.2
109.06535	14.3
109.10162	19.4
111.04427	3.8
111.08091	17.7
113.05997	3.7
117.07023	11.2
119.08586	34.5
121.06527	8.2
121.10135	29.4
123.04498	3.6
123.08084	8.0
123.11716	8.7
125.06026	9.9
125.09638	8.0
127.03909	3.1
129.07001	14.1
131.08563	14.7
133.06523	6.7
133.10135	24.0
135.08066	8.8
135.11697	60.2
137.05984	8.6
137.09616	8.8
139.07538	2.1
142.07787	5.3
145.10126	20.6
147.08073	5.4
147.11710	20.2
149.09618	8.1
149.13264	4.6
151.03880	2.4
151.07552	7.3
151.11192	4.4
153.05498	4.0
153.12781	3.2
157.10103	20.0
159.11739	6.3
161.09665	4.3
161.13271	3.2
163.07648	2.4
163.11185	12.8
165.09045	3.8
165.12767	5.3
167.07188	2.2
171.11754	2.5
173.13350	2.5
175.11169	17.4
175.14783	2.7
177.09064	3.9
177.12802	2.8
179.10750	2.7
181.12218	10.4
183.11607	2.4
185.13362	2.6
191.14288	2.6
193.12247	68.5
199.13284	2.7
211.13298	69.4
223.13199	2.6
245.15639	2.9
249.14987	2.5
255.15944	8.0
267.15912	9.4
275.16608	2.3
303.05081	10.6
329.21143	5.4
355.22543	4.4
373.23743	8.9
391.24905	3.3
403.25003	3.0
411.29373	4.8
421.25894	2.7
429.30099	9.8
447.27277	8.9
447.32181	4.6
465.28522	100.0
491.37839	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	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67551	1.1
55.01868	10.7
55.05513	23.3
57.03452	8.3
57.07073	11.4
67.05223	1.4
67.05511	15.1
69.07072	25.9
69.07718	1.1
69.36184	1.4
69.36504	11.5
71.08631	4.7
73.02911	6.9
79.05505	7.9
80.97357	1.4
81.07059	13.3
83.04984	2.0
83.08621	24.0
85.06558	1.3
85.10181	2.8
91.05479	3.9
93.07039	9.9
95.08606	11.0
97.06521	4.9
97.10173	11.5
98.21159	5.6
98.98472	49.6
105.07002	1.9
107.08603	4.7
109.10161	4.4
109.23832	1.2
111.08076	1.4
111.11723	3.4
119.08607	2.0
121.10172	9.1
123.11736	3.5
125.13200	1.3
129.05481	3.9
133.10121	2.1
135.11700	5.5
137.00024	3.0
137.13242	1.9
139.11177	1.4
149.13312	2.1
151.07513	2.1
151.11055	1.9
155.01045	43.8
159.11554	1.7
169.08589	4.6
170.08965	2.1
211.03653	2.2
219.21024	2.6
229.04785	3.2
237.22145	9.6
253.13878	1.3
303.05017	3.5
311.25815	100.0
312.26062	2.0
389.02115	1.4
447.25027	12.8
465.28604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
55.01864	6.6
55.05512	37.5
57.03180	2.1
57.03438	25.7
57.07071	2.9
59.05002	2.0
65.03929	4.9
67.05505	83.5
69.03410	5.6
69.07066	21.3
69.25482	14.1
71.01344	6.3
71.04984	9.9
74.00768	1.5
79.05491	77.2
81.03418	69.3
81.07056	55.6
83.04980	22.1
83.08622	27.5
85.02906	32.9
85.06533	5.8
91.05484	62.9
93.07044	80.4
95.04965	41.1
95.08600	16.5
97.02890	2.9
97.06532	18.9
97.10179	14.4
98.20959	6.4
99.04445	1.9
99.08088	2.8
103.05417	1.6
105.04512	2.2
105.07030	32.5
107.04961	9.9
107.07850	2.8
107.08593	49.3
108.43887	1.3
108.71236	1.5
109.06508	8.7
109.10148	10.3
111.04461	3.1
111.08080	14.9
113.06014	3.4
115.05470	2.1
117.06997	10.1
119.08587	27.1
119.09428	1.9
121.06508	3.4
121.10149	15.4
123.08051	3.2
123.11697	3.1
125.06030	1.8
125.09631	4.3
128.06165	1.4
129.07005	12.1
131.08559	12.2
133.06554	2.1
133.10156	13.2
135.08067	3.4
135.11693	52.0
137.09613	4.4
141.06970	2.1
142.07761	2.3
143.08524	1.9
145.10146	12.2
146.33609	1.5
147.08028	3.9
147.11682	16.9
149.09656	7.6
151.11110	2.6
155.08595	1.8
157.10168	13.4
163.11212	7.2
165.12733	2.1
168.51910	1.2
175.11176	18.0
181.12280	9.5
193.12242	70.2
199.13237	1.7
211.13295	78.4
249.14845	2.0
255.15865	6.5
267.15887	8.1
285.16928	2.2
294.75464	1.6
301.43771	1.5
329.21188	3.7
347.22296	2.0
355.22778	2.3
373.23788	5.9
403.24673	2.0
447.27399	7.0
465.28476	100.0
466.28705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
53.00285	2.5
53.03954	5.3
55.01856	3.7
55.05509	18.9
57.03426	7.9
65.03918	4.3
67.05165	4.5
67.05507	63.0
69.03426	5.5
69.07076	19.2
69.93401	6.0
69.93793	7.8
71.04996	18.8
75.79913	2.5
79.05499	41.8
81.03445	4.0
81.07057	68.9
83.01347	9.3
83.04971	7.9
83.08609	10.2
85.06538	8.1
91.05476	33.3
93.07047	45.2
95.04964	12.9
95.08609	58.1
97.02929	4.6
97.06526	10.1
97.10184	6.0
98.21065	7.3
99.00851	3.3
105.04510	3.9
105.07043	30.9
107.04958	5.7
107.08598	30.4
109.06511	10.2
109.10170	22.3
111.04446	5.3
111.08076	6.8
117.07017	11.9
119.08591	23.7
121.06487	4.5
121.10145	27.4
123.04448	2.7
123.08092	6.1
123.11713	7.7
125.06007	18.1
129.07062	5.5
130.09351	2.7
131.08589	16.6
133.10130	20.5
134.08452	2.7
135.08067	7.6
135.11697	23.5
137.05974	6.0
141.05507	5.3
141.06999	2.9
143.08534	8.8
145.10130	13.7
147.08034	5.1
147.11693	8.2
149.05998	3.7
149.09616	6.9
149.13280	16.0
151.07545	5.8
151.11169	4.2
153.05478	100.0
155.07033	16.4
156.78311	2.8
157.10110	6.6
159.11697	10.3
161.09671	3.1
161.13278	8.0
163.07506	4.8
163.14844	5.2
165.05518	9.4
166.80237	2.6
167.07086	15.2
169.10110	3.0
171.06555	23.5
171.11774	6.4
173.09659	3.1
173.13254	8.8
175.07478	3.1
175.14815	5.0
177.12918	2.6
177.60516	3.3
179.03416	10.4
179.07034	4.7
181.04961	41.8
183.06470	3.4
183.11848	3.1
185.13260	3.5
187.14828	5.9
189.16455	4.8
191.07059	11.3
193.08681	5.3
197.04532	2.9
197.13400	4.1
205.08702	3.1
207.06557	5.0
209.07941	3.3
219.10074	3.9
239.17870	4.4
257.19080	4.0
275.20026	7.7
277.21667	5.7
303.01816	3.0
303.05005	10.8
359.21924	4.4
363.42313	3.1
373.23627	4.2
383.25851	5.4
393.24088	3.9
401.26642	4.5
409.64731	2.8
411.25229	14.3
429.26080	13.5
465.28653	4.7
467.82294	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48856	1.7
53.03952	1.8
55.01863	2.6
55.05513	6.7
57.03436	27.9
57.07078	14.2
59.05003	14.5
61.02934	2.6
67.05512	13.8
69.03431	98.3
69.07060	10.8
69.27437	4.4
69.27837	14.3
71.05006	11.0
73.02911	4.6
75.04478	3.3
79.05508	2.9
81.03408	11.8
81.07063	11.6
83.05003	2.4
83.08636	4.0
85.02907	65.3
85.06565	9.8
87.04469	50.4
88.76324	2.2
91.05499	3.0
93.07052	9.1
95.04982	6.8
95.08607	84.0
97.02890	59.5
97.06530	6.9
98.21107	9.9
99.04469	3.5
99.08088	14.1
107.08584	9.3
109.02873	5.4
109.06531	21.0
109.10164	16.0
111.04475	2.7
111.08108	4.6
112.80701	2.2
113.09645	100.0
115.03928	60.5
119.08588	2.7
121.02849	1.8
121.06512	2.6
127.03931	6.0
127.11177	16.3
129.07109	1.7
133.04970	55.8
135.08014	2.1
135.11690	15.2
137.02333	3.7
137.05954	3.2
137.09660	3.3
137.13258	6.6
145.50854	1.8
151.11201	2.8
153.01839	19.6
153.12750	70.2
154.02188	6.3
155.14334	24.4
159.11771	2.2
167.06960	2.3
170.75433	1.8
171.02917	4.4
171.13817	38.0
177.12802	4.7
179.05493	2.9
195.13730	4.6
213.14848	18.2
249.15065	2.6
259.35306	2.1
267.16025	3.1
273.03842	2.3
279.15942	2.5
285.12372	2.8
303.01324	9.9
303.04999	42.3
303.73013	1.9
304.05450	3.2
316.07590	1.9
319.04510	22.8
329.03021	2.9
333.19107	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	465.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
53.76517	0.6
55.01852	0.7
57.03427	1.4
63.77003	0.6
67.05489	1.3
69.03436	5.6
69.07054	2.6
71.04989	1.2
71.23566	1.1
79.01847	2.4
79.05502	10.0
79.85761	0.6
81.03421	7.2
85.02917	5.5
97.02901	5.9
97.06538	3.5
98.20891	0.8
99.04445	1.8
107.01345	1.4
109.02883	5.4
109.75505	0.7
115.07548	3.2
123.04421	1.5
125.02350	3.5
127.03933	8.7
133.08617	5.9
137.02321	1.0
141.05476	0.7
143.03391	5.7
149.14058	0.6
151.09682	6.1
153.01839	100.0
153.02779	3.8
154.02185	3.5
171.02882	11.7
195.88358	0.6
201.01862	1.1
203.03380	1.1
229.01366	1.4
229.29422	0.7
231.02971	2.8
243.38884	0.7
247.02353	1.8
257.00763	3.3
259.02405	4.6
271.06204	0.9
275.01816	2.3
277.03467	12.9
279.05038	1.1
283.30951	0.7
285.00397	2.0
297.06015	5.2
303.01382	22.4
303.04715	1.6
304.01846	0.9
315.07098	13.2
316.07553	0.7
465.06290	3.0
465.15714	6.5
465.80243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
55.01865	11.4
55.05505	27.0
57.03431	9.2
57.07068	4.1
59.05008	4.4
61.02922	5.6
65.03931	7.3
67.05501	36.7
67.93154	4.1
69.03425	45.0
69.07059	34.4
71.04993	10.5
71.57999	4.7
78.11452	4.1
79.05497	43.1
81.03427	32.4
81.07056	68.4
83.04980	18.8
83.08620	6.0
85.02908	29.6
85.06544	14.3
91.05479	50.9
92.51441	3.5
93.07041	100.0
95.04964	25.1
95.08609	61.7
97.02891	9.7
97.06535	15.0
97.10175	20.0
99.04433	9.7
103.05472	9.4
105.07022	56.3
107.04948	7.6
107.08588	45.8
109.02902	16.1
109.06490	23.7
109.10154	49.7
111.04467	8.8
111.08095	9.6
115.05428	5.8
117.07005	11.6
119.04939	10.5
119.08585	41.6
121.02876	5.4
121.06483	33.8
121.10139	70.1
123.04443	17.6
123.08088	16.3
123.11681	19.6
125.05981	10.7
125.09614	11.0
127.03944	17.8
128.06235	10.6
129.06985	10.5
131.04947	9.1
131.08595	11.7
133.06499	9.5
133.10164	29.3
135.04338	4.4
135.08064	14.6
135.11700	16.0
137.05977	63.2
137.09590	18.5
139.11185	9.1
141.06970	5.2
141.09131	4.9
142.07724	6.6
143.08582	15.4
145.06520	6.5
145.10123	17.6
147.04378	11.2
147.08046	9.2
147.11676	21.6
149.05965	52.0
149.09605	23.7
149.13257	14.1
151.03951	5.4
151.07545	21.4
151.11208	11.2
153.01845	11.1
153.05443	5.4
153.12767	6.1
153.55244	4.1
155.08568	5.8
157.10136	13.4
159.08063	8.5
159.11691	15.9
161.06020	12.3
161.09637	14.4
161.13245	11.1
163.07570	14.2
163.11143	9.8
165.05481	20.9
165.09108	12.2
165.12782	6.1
167.07047	51.3
167.10666	11.2
169.06596	3.8
171.08124	9.7
171.11690	6.6
173.05910	6.9
173.09610	5.6
173.13321	8.9
174.06781	6.4
175.07545	13.0
175.11142	4.8
175.14883	6.2
177.05498	5.2
177.09245	4.7
177.12758	6.3
179.10626	6.3
183.11743	8.7
185.09622	5.5
185.13319	7.2
187.07579	8.2
187.14856	7.6
189.09114	61.4
191.07063	9.8
191.10747	7.0
195.11775	5.2
197.09639	6.6
197.39517	4.3
199.11104	5.7
201.09076	7.9
201.12648	4.5
203.07074	7.6
203.10638	7.9
205.08585	10.0
207.10190	26.9
215.07063	7.1
215.10745	6.0
217.08640	4.1
219.09990	6.3
227.10593	5.9
229.04941	5.1
229.08632	14.8
229.12297	17.3
233.08018	7.5
239.14325	8.1
254.60661	4.6
257.15417	19.2
258.55966	4.0
267.13748	8.0
273.18494	4.7
275.16376	22.6
285.14856	51.7
285.22128	4.0
303.01508	7.0
303.04987	74.8
303.16275	22.5
303.19293	5.0
303.23154	6.7
447.20062	8.4
447.27512	13.0
465.22238	6.8
465.28244	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.36234	0.2
53.03946	0.7
53.40947	0.2
53.59908	0.2
55.01867	0.6
55.05498	0.3
57.03223	0.2
57.03437	2.0
61.02930	2.1
65.03947	0.4
67.05492	0.5
68.91702	0.2
68.99788	0.7
69.03075	0.4
69.03435	5.8
69.07068	0.6
69.91193	0.9
70.29318	0.2
71.01370	0.4
71.04993	0.9
73.02926	1.9
79.05490	0.8
81.03423	3.0
81.07080	1.1
83.04984	0.2
83.58969	0.2
85.02910	15.6
85.06548	0.3
87.04487	1.2
89.02885	0.2
91.03972	1.2
91.04456	0.2
91.05484	0.7
93.03419	0.5
93.07035	0.8
95.04961	0.5
95.08598	0.5
97.02896	4.5
97.06541	0.3
98.20892	0.4
98.21456	0.3
99.04466	1.3
101.02373	0.2
103.03954	0.2
103.05462	0.3
105.07028	0.8
107.04953	0.5
107.08610	1.1
109.02890	2.3
109.06562	0.5
109.10152	0.5
111.00777	0.8
111.04414	0.3
113.03481	1.6
115.03893	0.3
119.08606	0.4
121.02888	1.2
121.06504	0.7
121.10170	0.5
123.04417	0.7
125.09647	0.2
127.03925	4.1
131.04970	0.3
133.06482	0.3
133.10112	0.6
135.04395	0.4
135.07951	0.3
135.11726	0.3
137.02347	3.2
137.03369	0.2
137.05986	1.2
141.88765	0.2
145.02812	0.3
145.04941	1.9
145.06496	0.2
145.10106	0.5
147.08051	0.3
147.11662	0.3
149.02357	0.5
149.09607	0.4
151.03932	0.5
153.01840	6.2
155.04897	0.4
157.10168	0.4
161.05952	0.6
161.09624	0.2
163.03932	1.0
163.07635	0.3
163.11153	0.4
165.01862	1.9
167.03452	0.4
171.03026	0.2
173.05984	0.4
173.13271	0.3
177.05533	0.2
178.04997	0.7
180.09514	0.2
181.05058	0.3
183.02995	1.0
183.04352	0.4
187.03944	0.5
191.14326	0.3
195.02945	0.3
201.05519	2.1
207.02937	0.3
213.05507	0.3
219.02899	0.3
229.04945	4.8
239.06679	0.4
244.09445	0.4
245.04475	0.4
247.05988	0.8
257.04462	3.0
273.04047	0.3
274.04739	1.1
275.05450	0.4
285.03928	1.8
287.05597	0.2
289.03397	0.3
301.03513	0.6
302.04282	1.2
303.05011	100.0
304.05386	2.2
313.03549	0.3
315.12326	0.3
317.03076	0.2
318.03741	2.3
327.05292	0.5
333.06058	4.6
333.09763	0.4
345.06232	1.3
380.16006	0.2
381.17056	0.3
387.12070	0.2
439.47968	0.2
447.14243	0.3
465.10144	2.5
465.15375	0.3
465.22495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Myricetin 3'-rhamnoside
Peak:m/z	Relative Intensity
53.93254	0.8
55.01862	1.3
55.05516	0.9
57.03447	5.8
59.04976	1.1
61.02921	2.4
65.03943	1.2
67.05507	1.0
68.99815	2.0
69.03434	16.2
69.07073	1.0
69.37183	7.1
70.19215	0.7
71.04595	1.3
71.04993	22.0
71.05344	0.8
72.32147	0.7
73.02915	2.9
75.04471	6.0
81.03403	2.0
81.07061	1.5
83.04990	2.0
85.02905	27.1
85.03419	1.3
87.04470	1.2
91.05475	0.9
93.07030	0.9
95.04926	1.0
95.08627	0.9
97.02905	2.0
98.20738	1.1
98.21378	1.5
107.04963	1.0
107.08589	1.7
109.02874	3.8
111.00780	1.8
111.04435	1.9
113.03464	2.2
121.02853	1.6
121.06512	0.8
123.04436	1.2
123.11678	1.1
127.02933	0.9
127.03940	1.0
129.05476	4.0
133.02863	1.1
135.04402	1.3
137.02339	5.3
137.05923	1.0
138.02974	0.9
139.03876	1.5
143.03427	1.5
147.04471	1.2
149.02351	1.4
151.03934	2.2
152.07094	1.2
153.01840	27.2
153.02893	1.4
153.05417	1.1
161.02405	1.8
161.05911	1.1
163.03912	1.1
165.01820	8.2
165.97549	0.8
166.02579	1.0
167.03427	2.1
169.01305	2.2
175.03882	1.2
177.01866	2.0
177.05484	0.9
179.03424	5.9
183.02896	3.0
183.04414	1.0
186.99281	0.8
187.03946	1.0
189.01869	1.1
191.03450	1.6
193.04922	0.8
195.02937	2.6
197.12889	1.6
199.03944	1.4
201.05438	1.3
203.03423	2.7
203.07080	0.9
205.01396	1.1
207.02844	1.3
211.10867	1.5
213.05515	1.1
215.03519	1.0
217.01587	0.8
217.05023	4.9
219.02910	2.4
227.03445	1.4
229.04977	2.6
231.02859	0.9
231.06625	1.5
233.04517	1.6
241.04959	1.9
243.02744	1.0
244.03571	1.3
245.04498	4.5
255.02866	1.3
257.04398	2.5
259.05930	1.3
263.05579	0.9
269.04367	2.4
273.03854	6.3
275.01978	1.1
277.03497	1.3
287.05688	1.9
290.04190	2.1
297.03900	3.7
301.03510	3.8
303.01392	2.9
303.05002	12.9
303.13290	0.9
313.03574	1.1
315.04910	7.7
318.03644	4.7
319.04486	100.0
320.04846	1.7
329.02933	10.5
331.04514	44.3
332.05136	2.9
333.06055	12.4
341.06641	1.2
343.04465	17.3
345.06003	2.4
355.04590	1.4
357.05951	5.2
361.05545	46.8
362.06308	1.0
367.08011	1.0
369.05930	1.3
371.03815	1.6
373.05511	3.3
383.07639	2.0
385.05539	14.0
391.06354	1.7
411.07153	11.2
429.08224	23.1
447.09229	15.6
465.10275	15.3
466.10904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02971	0.4
53.03941	1.0
57.03433	1.6
58.81263	0.4
69.03436	7.5
70.54855	1.0
70.55261	0.9
71.01340	0.6
71.04974	0.6
73.02920	2.2
81.03423	3.3
85.02906	7.9
85.03415	0.5
87.04456	1.0
87.11298	0.4
87.49886	0.4
89.03899	0.5
95.81606	0.4
97.02888	2.7
98.20912	0.6
98.21492	0.5
99.04454	1.5
101.02387	0.8
103.05511	0.7
109.02859	1.8
119.04948	0.4
123.04425	0.7
127.03909	3.0
131.04938	0.8
137.02332	1.1
147.04419	1.4
153.01836	1.5
157.02872	1.0
163.03880	1.0
167.08919	0.5
173.02321	2.0
175.03914	1.8
185.02371	1.4
186.63492	0.5
187.03894	3.4
191.03442	1.0
201.01862	5.0
203.03354	2.6
213.01826	2.7
215.03409	2.0
216.51044	0.5
217.01329	0.5
219.02805	1.0
229.01352	5.1
231.02890	12.5
241.01317	2.5
247.02408	6.8
251.51930	0.4
257.00812	10.9
259.02390	18.0
272.17072	0.4
275.01855	10.2
276.02533	1.0
277.03442	43.8
278.03641	0.7
285.00333	8.7
303.01376	100.0
304.01718	2.1
315.01431	1.0
321.02399	1.7
397.21719	0.5
465.06708	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	465.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	0.5
55.05486	0.3
57.03429	0.8
61.02911	0.9
66.94017	0.3
68.69492	0.3
69.03427	2.8
71.04997	0.5
71.56696	0.3
73.02905	0.4
75.95969	0.3
79.05486	0.3
81.03412	1.5
81.07037	0.5
85.02908	4.9
89.03905	0.3
91.05435	0.5
93.07011	0.5
97.02894	3.0
99.04436	0.3
107.04967	0.8
107.08562	0.4
109.02867	1.5
109.06425	0.3
115.53397	0.3
123.04409	0.6
127.03925	1.9
131.08589	0.4
131.18694	0.3
137.02339	1.3
144.13895	0.4
145.02895	0.4
145.04939	0.9
147.04414	0.6
150.05405	0.4
151.03888	0.4
152.07115	0.4
153.01830	1.2
153.12726	0.3
162.05562	1.5
163.03941	0.8
167.03452	0.8
173.02400	1.1
175.03839	0.6
178.04964	0.4
181.04985	0.4
185.02301	0.3
185.96440	0.3
191.03540	0.6
194.81775	0.3
201.01833	3.7
203.03534	0.9
204.25383	0.3
207.02859	0.5
213.01913	0.9
217.01358	0.8
219.02853	1.2
221.00723	0.5
229.01324	4.4
229.05109	0.5
229.08556	0.4
231.02974	1.4
231.87474	0.3
241.01216	0.7
247.02386	3.9
247.06532	0.4
255.11287	0.3
257.00815	12.1
257.08060	0.5
259.02576	1.5
275.01849	10.7
277.03522	0.4
285.00323	9.1
285.07620	0.7
285.12408	0.4
286.01093	0.5
303.01395	100.0
303.04944	9.4
303.13025	2.8
304.01782	2.4
315.04907	0.3
317.02957	0.4
323.30093	0.3
404.93259	0.3
415.09375	0.3
465.06607	0.9
465.18195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
53.03944	0.8
55.01859	1.6
57.03420	1.9
61.02932	5.6
66.31271	0.6
69.03438	3.8
71.04984	0.9
71.56149	0.9
73.02926	4.2
74.03272	0.6
79.05506	0.9
81.03406	2.3
81.07050	1.5
83.04971	0.8
85.02420	0.9
85.02902	10.5
87.04461	0.9
91.03942	2.6
91.05460	0.8
93.07053	0.8
95.04958	1.2
95.08595	0.9
97.02902	6.6
99.04469	1.1
105.03413	1.3
105.06987	0.8
107.04954	1.3
107.08553	1.0
109.02856	1.5
115.03936	1.8
117.07018	0.7
119.04974	0.7
121.02857	5.0
123.04441	0.9
127.03930	3.3
131.04895	0.9
131.08571	1.0
133.04935	1.5
137.02335	2.1
137.06001	0.7
145.04964	1.9
147.04375	1.1
151.03859	0.8
153.01846	6.0
153.05458	2.8
153.12721	1.2
154.05768	1.3
163.62845	0.7
167.07045	2.3
168.07452	1.4
169.01340	7.0
171.03110	0.7
171.13765	0.7
177.05411	0.9
181.01346	1.1
183.04286	0.8
201.05539	0.9
213.05614	0.6
215.11925	0.7
229.04980	1.6
243.08801	3.0
244.09523	1.7
247.06163	0.7
257.04361	0.9
267.11383	1.0
274.04843	0.7
275.01892	1.2
277.03491	0.8
279.09891	2.4
285.00403	0.7
285.12213	2.5
303.01486	9.1
303.04965	100.0
303.13312	2.3
304.05319	1.9
319.04453	0.9
378.15173	2.2
379.16208	0.9
429.16394	1.0
438.87296	0.7
443.48328	0.7
447.17416	2.0
465.18594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03416	0.7
58.07040	0.5
61.02926	7.2
68.99797	0.9
69.03434	1.2
70.20872	2.6
71.04968	0.6
73.02916	1.3
85.02898	6.6
91.03938	3.2
97.02880	3.3
98.20977	1.4
111.00811	1.3
121.02893	1.0
127.03919	1.2
137.02330	4.0
142.51408	0.6
143.96785	0.5
145.04971	0.7
153.01833	4.7
155.04860	0.6
163.03908	0.6
165.01857	2.2
173.06017	0.8
181.43015	0.6
183.02911	0.8
201.05447	1.5
229.04973	5.2
247.06100	0.9
257.04477	3.4
274.04779	1.2
285.03915	0.6
303.04999	100.0
304.05423	2.7
305.55194	0.5
319.04517	1.2
361.05682	0.8
461.70416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
57.03426	1.8
61.26418	1.0
65.33488	0.9
67.05500	1.2
69.03439	6.4
69.59261	0.9
70.06605	0.9
71.04990	1.6
71.56200	1.6
71.56565	1.1
73.02906	2.7
74.29162	0.9
79.01857	2.3
81.03427	9.3
81.07063	1.6
83.08603	1.1
85.02901	7.2
92.12904	0.9
93.61857	0.9
95.02460	1.5
95.04976	1.3
95.08625	2.0
97.02888	8.8
99.04446	1.9
105.06996	0.9
107.01337	1.8
109.02876	7.3
109.06509	1.6
112.43571	0.9
113.03460	7.0
114.03841	1.9
115.03946	2.0
117.05502	1.3
119.08582	1.9
121.10130	1.1
122.03536	1.0
125.02345	3.1
127.03210	0.9
127.03946	10.6
135.04388	0.9
137.05980	8.4
138.06314	4.4
143.03352	5.1
145.04936	3.1
147.04350	0.9
153.01839	100.0
153.02838	3.9
153.12740	3.3
161.05952	1.4
163.03915	1.0
165.05466	1.3
167.06996	2.4
171.02892	13.2
171.13774	1.1
213.14874	1.2
229.11880	1.7
230.12148	1.6
234.77391	0.9
259.86270	1.0
267.16083	1.2
271.37811	1.0
283.09677	1.5
297.06039	9.6
298.11707	1.2
303.05035	5.2
303.08295	1.0
310.11581	1.4
315.07092	10.0
319.04559	2.0
379.68359	1.1
386.05902	1.7
432.03671	1.0
434.16571	1.2
446.08127	1.1
446.15848	1.2
464.18106	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	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.05517	9.5
57.03433	10.3
57.07064	2.6
59.05001	2.4
63.17836	1.9
67.05507	7.5
69.03428	33.1
69.07068	6.4
71.04990	2.4
71.56813	2.1
73.02908	9.0
79.05492	32.3
81.03426	7.9
81.07062	18.3
83.04974	6.4
85.02917	23.2
85.06538	2.5
87.04490	16.4
91.03957	3.3
91.05486	31.3
92.05785	2.0
93.07048	100.0
95.04967	11.3
95.08619	10.8
95.48997	2.1
96.04504	9.8
97.02907	29.0
97.06535	2.4
97.10173	2.1
105.04515	1.8
105.07042	14.0
107.04967	5.1
107.08603	88.1
108.08911	2.1
109.02903	2.8
109.06527	7.1
109.10152	6.2
111.04469	2.2
111.08092	2.4
115.03949	24.7
119.08582	8.5
121.06473	2.8
121.10134	10.4
123.04405	2.4
123.08074	3.7
123.11716	2.7
125.09610	3.7
127.03931	10.7
131.08574	2.7
133.04982	27.3
133.10126	9.6
135.08049	4.4
135.11696	56.4
135.12709	3.5
137.05975	6.6
137.09694	2.4
138.06305	3.6
145.04976	3.8
147.04410	3.8
147.07991	2.1
147.11742	2.5
149.06038	2.4
149.09645	3.6
149.13321	3.3
150.07645	5.7
151.07538	2.6
151.76125	2.0
153.12729	2.6
159.11703	4.0
160.47745	1.7
161.09673	3.9
165.12733	2.0
167.10712	2.9
173.09665	2.2
177.12787	7.7
179.03156	1.8
195.13802	7.9
267.16080	2.1
303.04956	7.1
396.58588	2.0
421.14719	4.3
464.30438	2.3
465.13745	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03954	7.3
55.01858	3.3
55.05514	11.3
57.03434	6.4
57.07060	2.3
60.59111	1.3
61.02917	5.0
65.03927	3.0
67.05504	6.7
69.03427	18.7
69.07066	7.6
69.92450	5.4
71.01340	1.9
71.04999	2.8
73.02916	33.4
73.06558	14.4
75.04489	1.5
79.05058	1.8
79.05495	26.3
81.03414	7.0
81.07064	11.4
82.91480	1.4
83.04980	5.4
85.02905	27.5
85.06532	2.3
87.04459	3.4
90.43726	1.2
91.03943	1.8
91.05483	28.6
93.07046	99.7
94.07355	2.0
95.04985	8.1
95.08611	6.9
97.02896	24.0
97.06541	1.8
99.04453	2.0
101.06021	2.7
105.04542	2.2
105.07033	12.0
107.04934	1.6
107.08597	100.0
108.08935	3.0
109.02867	5.4
109.06522	4.7
109.10143	4.9
111.04430	1.7
113.03493	3.8
115.03941	10.1
119.06147	1.6
119.07017	1.7
119.08572	7.1
121.06512	3.0
121.10145	12.3
123.08071	2.1
123.11714	2.4
125.09665	2.0
127.03932	12.6
129.07027	1.6
131.08603	2.7
132.06551	2.1
133.04971	9.6
133.06468	1.4
133.10143	5.4
135.08028	2.3
135.11699	48.9
137.05997	4.2
137.09627	2.6
139.07521	1.9
145.04967	12.9
145.10152	2.8
147.04460	1.8
147.08025	1.8
147.11696	3.4
149.09610	4.4
149.13284	1.6
150.07585	2.0
151.07529	4.2
151.11224	2.9
153.01961	1.3
153.12709	3.1
159.11662	2.5
161.09575	2.0
161.13321	2.1
163.06084	2.7
163.07492	1.6
165.09171	1.7
165.12689	2.9
167.07022	1.9
167.10683	1.6
171.11697	1.6
177.12706	1.4
179.10620	1.3
181.04915	1.8
187.11168	1.5
210.99011	1.1
223.06078	1.9
249.14963	1.8
259.08200	2.4
279.15869	1.6
303.04956	5.5
311.14932	2.6
332.08487	3.5
407.12000	1.2
447.27100	1.9
465.13452	2.9
486.78961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3422
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.75807	1.7
55.05519	10.1
55.28799	1.8
57.03427	1.7
57.07079	78.4
67.05502	15.9
69.03441	2.5
69.06775	1.4
69.07079	15.8
71.05000	3.1
71.08626	2.6
71.24538	3.3
74.25861	1.4
79.05494	8.7
81.07057	37.4
83.01350	14.3
83.01809	2.1
83.04988	1.8
83.08633	10.5
85.02898	5.8
85.06071	2.4
85.06553	45.9
85.07070	2.4
91.05476	6.0
93.07050	13.2
94.07384	1.4
95.04939	3.4
95.08610	35.4
97.06525	4.3
97.10191	4.4
105.07042	4.5
107.08613	10.9
109.06513	10.7
109.10168	22.9
110.10421	1.5
111.08089	2.9
111.11729	3.0
111.14414	1.6
119.08562	7.2
121.06502	2.6
121.10141	9.3
123.08066	10.1
123.11698	18.9
125.06017	7.9
125.09627	4.1
127.11198	3.4
131.08548	2.5
133.10129	6.2
135.08083	4.9
135.11678	7.5
137.05983	16.2
137.09622	5.0
137.13245	4.5
139.07561	15.8
139.11200	2.3
145.10121	3.4
145.52884	1.6
147.08034	2.2
147.11697	4.6
149.09641	3.2
149.13281	5.5
151.07513	8.7
151.11198	4.2
151.14848	3.2
153.05487	1.9
153.09203	2.5
155.07098	2.2
155.08534	1.6
157.10130	2.5
159.11703	2.9
161.09618	2.8
161.13269	4.9
163.11205	3.9
163.14856	3.6
165.05460	1.9
165.09158	5.4
167.07039	17.2
167.10693	2.6
168.07437	4.1
171.06555	1.8
171.11662	2.9
173.13292	2.2
175.11180	4.0
175.14815	2.6
177.09125	2.9
177.12776	3.1
179.10698	6.8
181.08644	9.5
181.12161	3.6
183.06548	2.6
189.12778	2.8
191.10757	2.9
191.18053	2.0
193.12312	5.5
195.13847	6.7
201.16377	1.9
203.17867	2.2
205.12303	3.0
207.10196	6.9
207.13858	6.2
209.11748	6.4
209.15315	1.7
219.13815	1.7
221.15349	2.4
223.13350	1.8
235.13396	2.5
249.18584	2.1
257.63092	1.4
286.43027	1.6
317.24722	2.6
333.27863	7.9
334.20544	1.7
335.29303	7.7
343.26495	1.6
361.27301	11.6
379.28409	3.6
381.31961	1.7
399.32620	5.5
401.34146	3.5
411.02173	1.7
417.33655	54.9
419.35159	12.8
427.32156	5.9
445.33124	80.8
446.33481	2.7
463.34207	100.0
464.34332	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03937	1.0
56.64894	0.3
66.95750	0.3
69.03431	2.4
70.91618	0.6
70.91952	0.4
71.04984	0.5
79.01855	2.7
81.03418	7.6
85.02912	2.6
97.02894	6.3
99.04443	1.1
107.01306	1.2
109.02884	5.0
121.29494	0.3
123.16887	0.3
125.02355	2.5
127.02971	0.4
127.03920	7.5
133.80386	0.3
137.02271	0.3
143.03403	4.4
145.04959	1.3
153.01831	100.0
154.02168	0.9
171.02885	15.0
186.15140	0.3
264.33704	0.4
287.57751	0.3
297.06052	11.4
298.84378	0.3
315.07089	13.4
376.10205	0.3
398.51361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
57.03437	1.5
61.02951	0.9
69.03429	5.3
69.35233	8.4
71.04987	1.2
73.02899	3.9
79.01837	3.5
79.05484	1.6
81.03430	10.1
83.04989	1.5
85.02912	5.9
90.36211	0.9
91.05495	2.0
95.08611	1.7
97.02905	7.0
98.21255	3.8
101.35452	0.9
107.01301	2.2
109.02882	6.5
109.06490	1.5
113.03493	4.5
115.03959	1.8
117.05476	2.1
119.08598	1.0
121.06510	1.2
121.10127	1.0
123.04465	1.2
125.02342	3.2
127.03936	9.5
128.58298	1.0
131.04858	1.1
137.05998	11.8
138.06342	5.0
143.03346	6.0
145.04935	2.8
149.09666	1.2
153.01843	100.0
153.12735	2.7
154.02220	2.4
161.05965	1.6
162.06432	1.0
163.03871	1.0
167.03468	2.0
167.07028	3.1
171.02919	11.4
171.13753	2.3
200.09212	1.0
224.08020	1.3
229.11784	1.1
249.14717	1.2
265.08472	1.1
284.09888	1.6
295.09351	1.2
297.06201	9.8
297.11121	1.9
298.02475	1.0
298.11652	2.1
303.04901	5.4
309.10809	1.8
310.11591	1.7
315.07159	9.5
319.04355	3.0
386.05859	2.3
402.14120	1.0
446.16425	1.4
464.17761	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	463.3418
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.03941	5.3
55.01873	1.9
55.05512	13.8
57.07075	4.7
61.78682	0.5
64.97374	0.5
65.50473	0.5
67.05502	8.2
69.07068	19.1
69.91089	2.9
71.08632	1.4
71.28664	0.5
79.05498	4.9
80.72014	0.5
81.03413	1.5
81.07055	5.5
83.00880	1.1
83.01340	13.3
83.04986	1.4
83.08617	9.0
91.05469	3.3
93.07051	4.0
93.13149	0.5
95.04971	0.7
95.08609	3.9
97.02888	1.6
97.06506	0.6
97.10159	3.3
98.21270	1.2
99.08095	0.6
105.07011	2.3
106.11632	0.5
107.04940	2.2
107.08591	1.9
109.06518	2.2
109.10164	2.7
111.11718	1.3
114.57903	0.5
117.07053	0.9
119.08574	1.1
121.10164	1.5
123.11671	1.2
125.05937	0.8
129.01849	4.9
131.08569	1.3
133.10135	2.5
135.04420	11.5
135.07939	0.6
135.11725	0.7
145.10117	0.6
149.13193	1.3
151.07536	0.6
151.11169	0.7
153.05460	5.3
157.05029	0.6
159.11856	0.6
163.03899	1.7
167.07054	1.4
173.09676	0.6
175.11189	0.7
181.04956	29.9
183.06580	0.8
195.06540	21.0
199.06026	39.9
203.10683	0.8
207.06529	1.4
207.13603	0.6
209.08096	9.9
221.08040	1.6
222.07640	1.1
223.09668	9.6
231.10147	0.9
235.09665	2.1
237.11240	10.0
237.13414	0.5
249.11226	9.3
251.12801	5.3
263.12793	1.8
265.14346	2.1
277.14395	1.0
279.15976	1.3
288.52863	0.6
291.33286	0.6
293.17545	2.9
305.17505	1.1
307.19092	3.9
319.19183	1.5
321.20535	1.0
333.20651	1.1
349.24146	0.6
377.26904	0.8
389.26938	1.0
445.33151	100.0
446.33582	3.6
463.34238	52.1
463.39520	0.8
464.34518	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3418
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
55.05517	9.7
57.03426	2.5
57.07078	69.5
63.75550	1.5
67.05492	14.0
69.07075	20.8
69.55251	4.0
69.55672	7.9
70.86738	1.8
71.05001	2.0
71.08622	2.5
79.05481	3.9
81.07059	35.4
83.01331	10.5
83.04984	2.8
83.08616	9.0
85.02908	5.5
85.06065	2.9
85.06546	41.5
87.78188	2.0
91.05469	4.0
93.07053	12.8
95.08611	36.0
97.06541	3.4
97.10175	6.8
98.20930	5.3
99.08082	2.6
105.07040	5.7
105.46297	1.7
107.08621	11.6
109.06530	10.6
109.10165	22.7
111.08138	3.8
119.08575	6.1
121.06500	4.8
121.10149	12.0
123.08070	10.5
123.11710	14.7
125.05991	7.8
125.09608	2.1
131.08601	3.8
133.10153	5.7
135.08093	4.0
135.11699	5.9
137.05988	12.8
137.09581	3.8
137.13271	3.8
139.07547	16.0
139.11217	2.3
145.10118	5.4
147.11775	4.0
149.09625	3.3
149.13269	3.9
151.07516	8.6
151.11160	4.0
153.12715	2.1
159.11710	3.1
161.09674	3.1
161.13300	4.7
163.11157	3.0
163.14888	2.5
165.09140	4.4
165.12784	2.8
165.16408	2.2
167.07042	14.3
168.07402	3.7
169.07634	1.9
171.11728	2.4
175.11238	2.7
179.10670	8.7
181.08597	9.3
181.12187	2.2
183.06538	1.9
189.12711	1.7
191.10724	3.2
191.18031	2.0
193.12311	6.6
195.10083	2.4
195.13887	4.5
207.10216	5.5
207.13828	6.4
209.11743	5.4
217.12338	3.1
221.15471	2.5
231.13901	2.1
235.13368	3.5
251.20145	1.9
265.21713	1.8
267.61182	1.8
277.21439	2.3
333.27774	9.3
335.29514	7.3
343.26373	3.4
361.27338	10.0
368.62735	1.8
379.28397	2.4
399.32492	5.3
401.34094	5.7
417.33682	52.6
418.34363	3.0
419.35239	10.4
427.32138	6.5
445.33160	71.3
463.34180	100.0
464.34500	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	463.3419
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
51.02387	0.6
51.08109	0.4
53.03938	4.5
55.01873	1.5
55.05261	0.8
55.05516	12.5
57.07077	3.9
64.19405	0.5
65.03941	1.1
67.05511	9.0
69.07071	15.3
69.62930	0.8
69.63335	2.3
71.08636	1.4
74.32355	0.4
79.05496	4.8
81.03428	0.8
81.07059	7.3
83.01339	10.7
83.04986	0.6
83.08627	6.4
85.02837	0.5
85.10231	0.7
91.05477	3.8
93.07054	5.1
95.04981	1.1
95.08627	3.3
97.02907	1.1
97.06532	0.9
97.10194	3.8
98.21034	1.6
105.07041	1.5
107.04965	1.9
107.08606	2.6
109.06533	1.6
109.10184	1.6
111.11737	0.8
117.07044	0.7
119.08617	0.5
121.10175	1.2
125.06007	0.7
129.01852	5.6
131.08580	0.8
133.10139	1.4
135.04436	8.9
135.11702	1.8
137.05978	0.7
139.03917	0.6
147.08069	0.9
147.11703	0.6
149.09581	0.7
149.13274	1.4
151.07590	0.7
153.05470	6.5
155.06972	0.5
159.11752	0.8
163.03889	2.5
163.11241	1.3
167.07104	0.7
169.05016	0.9
181.04970	31.6
183.06540	0.7
195.06541	21.8
195.13840	1.1
199.06030	41.0
207.06621	0.9
209.08112	11.5
221.08031	1.1
222.07741	1.4
223.09663	10.3
235.09642	2.1
237.11252	10.0
249.11214	5.5
251.12790	5.8
263.12872	1.5
265.14319	3.7
277.14423	0.6
279.15799	2.3
291.15945	1.1
293.17447	2.6
305.17474	0.9
307.19089	3.4
314.23065	0.4
319.19067	1.9
321.20596	1.6
356.83929	0.5
361.23727	0.5
363.25485	1.0
377.26700	0.6
388.47528	0.5
389.26941	1.3
445.33176	56.2
446.33432	2.4
463.34244	100.0
464.34689	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	463.3418
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
55.05503	28.8
56.10461	6.6
57.07085	7.4
67.05511	73.1
69.07061	38.0
69.28865	6.5
69.89777	14.5
69.90128	33.7
71.05002	9.2
79.05496	40.7
81.07059	87.5
83.04956	11.4
83.08617	8.2
85.06518	8.0
91.05474	20.9
93.07043	44.4
95.04964	16.3
95.08620	67.3
97.06525	6.3
98.21135	22.2
99.08052	7.5
105.07035	11.5
107.08588	31.5
109.10161	33.4
111.11707	8.9
119.08587	16.1
121.10128	14.6
123.11733	14.5
131.08505	11.1
133.10104	15.4
135.11653	20.4
137.13225	8.3
145.10197	7.9
149.06070	9.6
149.13245	24.5
159.11681	9.3
167.07039	100.0
168.07625	6.5
171.11647	7.7
177.41194	7.3
207.10184	8.3
221.80147	7.0
267.87872	6.5
271.63162	6.7
374.23996	7.8
427.32083	14.9
445.33362	16.4
463.30170	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	21.1
57.07071	14.5
67.05512	30.8
69.07067	31.2
69.53297	25.4
79.05059	3.6
79.05467	17.6
81.07067	53.3
83.05008	3.8
83.08627	12.9
85.06535	4.2
91.05479	4.6
93.07052	16.3
95.08614	41.2
97.10159	7.7
98.21178	13.4
105.07008	7.2
107.08598	11.2
109.10165	31.0
119.08592	4.5
121.06549	9.6
121.10126	8.6
123.11718	15.4
135.11673	7.5
136.08833	8.5
137.09601	7.7
145.10031	4.7
149.13249	4.6
151.07562	13.3
164.08357	24.7
165.09122	73.2
166.09483	37.1
167.07074	77.5
169.08620	15.2
169.10031	3.8
179.07095	4.8
179.14340	6.0
190.01578	3.4
205.08514	5.2
205.12372	4.3
266.01035	4.2
371.25919	6.2
389.26907	54.9
424.47040	4.1
427.31970	16.7
445.36612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3416
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
53.03934	0.7
54.31308	0.6
55.05518	9.3
57.03462	0.6
57.06821	0.8
57.07077	12.8
67.01862	1.7
67.05507	13.4
69.03418	0.8
69.07067	20.0
70.24696	1.0
71.04977	2.3
71.08615	1.9
73.06542	1.4
79.05484	5.7
81.07055	32.4
83.01327	3.0
83.04979	1.0
83.08627	8.4
85.02912	0.9
85.06544	6.9
91.05469	3.7
93.07037	10.4
95.04967	1.5
95.08606	28.7
97.10177	5.5
98.21140	1.2
99.08081	2.0
105.07037	3.3
107.08573	4.6
109.09452	1.1
109.10158	14.9
111.08081	1.0
111.11723	2.6
119.08597	2.3
121.06483	2.3
121.10135	4.2
123.08035	1.7
123.11718	11.2
123.12593	1.1
125.05981	0.9
127.11192	0.9
129.06998	0.7
131.08557	1.7
133.06511	0.7
133.10126	2.0
135.08052	1.2
135.11694	4.1
137.05975	1.3
137.09648	1.0
137.13264	6.4
139.07550	3.8
141.05504	0.9
143.03372	1.1
143.08553	0.9
145.10120	1.2
147.08069	1.9
147.11690	1.4
149.05997	4.6
149.09691	0.9
149.13261	3.5
151.07553	10.9
151.14807	1.8
153.05467	1.9
157.10156	1.3
159.08093	1.4
159.11711	1.5
161.05951	2.3
161.09589	2.1
161.13229	1.5
163.07440	1.2
163.14827	1.5
165.09096	4.3
165.16367	1.0
167.07042	100.0
168.07341	1.5
169.04974	2.5
171.11681	1.4
173.09644	1.3
173.13264	0.8
175.07567	3.4
175.11188	1.0
175.14915	0.7
177.09145	1.8
177.16380	0.8
179.07007	4.3
181.04948	0.8
181.08641	0.8
185.09528	0.8
187.11128	1.5
188.08334	1.2
189.09129	6.3
189.12715	1.1
191.10693	1.8
191.17924	0.9
193.08638	2.7
199.11284	0.6
201.09135	2.4
203.10681	3.4
205.08632	1.6
205.12233	1.2
205.19505	0.9
207.10136	7.8
209.08054	0.9
217.12251	2.0
221.11696	1.7
230.63358	0.6
247.13338	0.8
261.25626	0.8
331.22403	0.8
361.23511	0.8
361.27548	1.3
371.25763	0.9
389.26843	4.3
397.31107	1.4
397.78693	0.7
409.30716	1.0
417.29492	0.8
417.34280	0.8
427.32175	8.5
445.33200	22.2
446.33463	0.7
463.34845	4.2
472.87021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.49577	1.0
53.03360	0.9
53.03944	4.8
55.01870	3.8
55.05519	18.6
57.03446	8.7
57.07074	2.3
64.44881	1.1
65.03934	3.9
67.05511	81.3
69.03442	1.2
69.06715	2.1
69.07072	29.4
69.51057	7.1
70.38873	0.9
71.01352	1.1
71.05008	5.4
73.02923	1.2
79.05499	54.7
80.20450	1.0
81.03429	3.4
81.07061	100.0
83.04985	8.7
83.08622	17.9
85.06544	5.3
91.05486	28.1
93.07053	76.5
95.04965	9.3
95.08613	26.9
97.06540	15.7
97.10172	1.4
98.20859	1.8
98.21502	1.8
99.08102	4.5
105.04528	2.0
105.07048	12.5
107.04945	1.6
107.08601	44.4
109.06524	3.7
109.10163	3.7
111.08077	9.0
111.11739	1.2
113.09657	2.1
115.47137	0.9
117.07018	10.3
119.08592	5.6
121.06500	3.1
121.10147	25.3
123.08082	1.8
123.11697	1.8
125.09724	1.3
131.08575	12.5
133.10147	8.5
135.08073	3.0
135.11699	9.9
137.06003	1.1
139.11186	2.9
147.11713	1.8
147.50122	1.1
149.09660	1.7
149.13271	52.8
151.11116	1.4
155.07037	1.6
156.54846	1.1
159.11705	18.9
167.07117	2.1
167.14403	1.4
176.30457	0.9
177.12762	9.8
181.05034	1.3
195.13834	18.2
207.32922	1.2
213.14893	2.8
268.95889	1.0
463.30612	73.8
464.30585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3417
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.03947	4.4
55.01866	1.9
55.05516	12.5
57.03427	2.3
57.07067	2.8
57.50383	0.6
62.35175	0.7
65.03938	2.0
67.05507	28.8
69.03442	1.2
69.07071	21.2
69.62085	2.4
69.62498	2.3
71.04990	2.0
71.08634	1.6
78.05174	0.7
79.05059	1.4
79.05498	17.1
81.03417	2.9
81.07058	26.2
83.01337	6.9
83.04967	3.0
83.08622	10.1
85.06523	1.3
91.05483	11.1
93.07045	22.0
94.87939	0.7
95.04981	4.3
95.08605	9.2
97.02875	1.4
97.06535	4.9
97.10185	3.6
98.21350	2.2
99.08096	2.0
105.07036	5.7
107.04931	2.5
107.08606	11.3
109.06506	3.1
109.10150	3.0
111.08099	3.0
111.11761	0.7
117.07017	2.6
117.59700	0.8
119.08576	2.2
121.06538	1.1
121.10140	5.4
122.47267	0.6
123.11696	1.7
125.09647	0.8
129.01871	3.9
129.06960	1.0
131.08583	4.6
133.10130	5.3
135.04396	6.8
135.08069	1.0
135.11685	5.4
143.08530	1.0
145.10135	1.8
147.11745	1.0
149.09657	1.3
149.13242	9.2
149.38966	0.7
151.07660	0.8
151.11214	0.9
151.92358	0.7
153.05492	4.9
156.28029	0.6
157.10176	0.8
159.11699	4.6
161.13203	0.8
163.03957	0.8
163.11206	1.9
165.09047	0.7
177.12779	2.4
181.04961	20.9
181.06514	1.4
183.06551	1.2
195.06546	14.4
195.13812	4.9
199.06020	30.2
207.13708	0.8
209.08070	7.0
219.13837	2.1
221.08086	0.9
222.07788	0.9
223.09666	8.4
227.12802	1.4
235.09679	1.4
237.11201	7.1
249.11238	4.8
249.81531	0.8
251.12817	4.3
253.14365	1.0
263.12689	1.5
265.14355	2.1
277.14594	0.8
279.15979	1.1
291.15842	1.1
293.17505	2.2
307.19135	2.6
319.19070	1.8
321.20844	0.9
349.23798	0.8
377.26721	1.5
389.26926	0.9
445.33148	100.0
446.33414	3.7
463.29715	7.7
463.34296	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03939	4.6
55.01870	5.8
55.05259	1.2
55.05511	18.6
57.03435	8.4
57.07070	3.9
65.03931	3.5
67.05506	83.2
69.03443	1.8
69.06719	1.8
69.07069	27.7
69.77751	5.3
71.01382	0.9
71.04994	5.2
71.08629	1.4
77.03902	1.2
79.05492	51.3
80.50594	0.9
81.03435	5.4
81.07058	100.0
83.04993	8.2
83.08618	18.3
85.06542	4.1
91.05479	30.5
93.07046	74.2
95.04970	9.1
95.08604	26.4
97.06531	16.8
97.10185	2.0
98.20951	2.1
98.21508	1.2
99.08112	3.7
105.04582	1.8
105.07028	11.3
107.04964	1.2
107.08597	42.3
109.06538	3.5
109.10139	4.6
111.08081	10.0
113.06047	1.4
117.07010	10.7
119.08548	4.9
121.06496	1.9
121.10139	25.4
123.08107	1.6
123.11711	3.2
124.14156	0.9
125.09667	1.3
131.08580	12.8
133.10127	11.3
135.08072	2.2
135.11697	12.9
139.11201	2.3
140.17020	1.0
145.10149	2.1
147.11723	2.9
149.13261	52.3
151.11188	1.6
159.11690	20.6
163.11197	1.7
177.12769	8.8
185.13261	1.1
195.13795	17.7
213.14893	3.6
251.16360	1.1
414.05588	1.0
445.29617	1.4
463.30661	65.0
464.31146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.13720	1.0
53.03944	4.9
55.01880	2.6
55.05511	18.6
57.03445	7.4
57.07069	2.4
65.03933	2.7
67.05505	78.1
69.03463	1.1
69.07065	28.3
69.96705	4.9
71.01344	1.1
71.05001	6.7
72.49532	1.1
73.02891	1.2
79.05492	51.3
81.03419	3.6
81.07056	100.0
83.04968	7.1
83.08618	17.2
85.06533	4.0
91.05477	28.5
91.71231	1.0
93.07044	74.5
95.04977	8.5
95.08607	24.9
97.06529	14.2
97.10155	1.8
99.08086	5.2
105.07027	11.2
107.08593	44.6
107.21417	1.0
109.06528	4.1
109.10158	4.3
111.08075	11.2
117.07013	12.3
118.78386	1.0
119.08578	3.9
121.06541	2.0
121.10139	24.5
123.08092	1.3
123.11707	2.3
125.09657	1.8
127.71516	0.9
129.07082	1.1
131.08580	11.5
133.10129	8.2
133.45692	1.1
135.08101	1.3
135.11713	14.7
139.07585	1.3
139.11191	1.6
139.52606	1.0
140.52567	1.0
141.92413	1.0
145.10152	1.4
147.11729	3.0
149.13257	53.8
159.11673	19.7
163.11227	1.8
167.14380	1.4
173.83443	1.2
177.12756	12.3
195.13809	17.8
213.14880	2.5
227.15593	1.1
251.16364	1.6
277.62131	1.1
445.30655	1.4
463.30630	63.2
464.31235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03954	5.1
55.01867	3.7
55.05516	20.6
57.03440	7.5
57.07062	4.5
58.54556	0.9
65.03938	3.1
67.05507	79.7
69.03434	1.8
69.07073	34.4
69.57102	6.1
71.05006	5.2
71.08650	1.0
79.05495	50.0
80.05810	1.1
81.03436	1.9
81.07059	100.0
83.01341	2.8
83.04996	8.6
83.08620	21.6
85.02912	1.0
85.06543	8.3
91.05487	29.8
93.07050	71.8
94.07379	1.1
95.04964	9.4
95.08610	34.7
97.06524	16.6
97.10169	2.5
98.20895	2.6
99.04440	1.2
99.08094	3.9
105.04505	1.5
105.06368	2.3
105.07020	14.3
107.04956	1.5
107.08599	38.9
109.06532	4.0
109.10157	9.7
110.07460	1.0
111.08081	8.6
111.11728	1.3
113.09677	1.6
115.05428	1.4
117.07020	10.6
119.08586	7.4
121.06533	2.5
121.10149	29.1
123.08071	2.5
123.11713	4.3
125.09628	2.2
127.07594	1.9
129.07002	2.4
131.08572	12.5
133.06482	1.1
133.10138	10.0
135.08095	3.5
135.11696	11.5
139.11192	2.3
143.08578	1.5
145.10129	2.6
147.08047	1.4
147.11726	4.2
149.09659	2.4
149.13264	45.2
151.07552	2.4
151.11156	1.0
153.05495	3.2
155.07072	1.8
155.08568	1.8
157.10054	1.2
159.11684	21.1
161.13287	2.6
163.71950	1.1
165.09373	1.0
167.07025	10.2
169.04958	2.1
169.10252	1.2
175.11177	1.2
177.12811	8.1
181.05042	1.7
195.13820	19.2
213.14787	2.7
251.16397	1.1
269.17545	1.3
371.25644	1.7
394.04477	1.2
427.32599	1.7
428.26318	1.0
445.28848	1.8
463.30600	64.7
464.31219	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03937	4.3
55.01860	4.4
55.05514	18.5
57.03442	6.7
57.07067	5.1
65.03940	1.7
67.05507	82.6
69.03412	2.4
69.06725	1.3
69.07071	26.0
71.05004	6.4
79.05492	50.4
81.03416	3.4
81.07059	100.0
83.01337	2.3
83.04975	7.8
83.08627	18.1
85.02892	1.5
85.06553	6.1
91.05483	32.2
93.07049	70.8
95.04988	9.7
95.08608	31.6
97.06532	15.1
97.10163	3.4
98.21119	6.9
99.08099	4.9
99.47873	1.1
105.07047	12.6
107.05018	1.1
107.08600	38.1
109.06522	4.8
109.10160	8.2
111.08075	9.1
111.11691	1.2
117.07037	10.9
119.06120	1.2
119.08601	7.7
121.06498	2.7
121.10140	21.1
123.08082	2.4
123.11716	4.7
125.05962	1.7
125.09641	1.6
129.07007	2.4
131.08572	13.1
133.10132	10.1
135.08081	3.0
135.11713	11.5
139.07494	1.6
139.11214	1.7
143.08549	1.2
145.10109	2.7
147.11682	3.2
149.13263	44.2
150.13530	1.1
151.07582	2.5
151.11287	2.4
153.05457	3.0
155.07062	1.2
157.10173	2.1
159.11703	19.6
161.13310	1.3
167.07048	9.0
169.04980	2.9
177.12805	10.4
181.04930	2.5
185.13406	1.2
195.13805	18.0
196.62601	1.1
213.14906	4.0
229.14124	1.3
301.07147	1.5
445.29294	2.8
463.30566	66.3
464.31113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03918	1.1
55.01850	1.0
55.05508	6.1
57.03426	2.2
57.07059	2.0
65.03920	1.4
67.05508	15.3
69.03368	0.8
69.07072	5.5
69.71236	3.2
71.05005	3.0
77.73481	0.6
79.05502	13.1
81.03398	1.2
81.07055	23.1
81.16955	0.7
83.01327	2.6
83.04977	2.3
83.08611	2.9
85.06526	1.5
91.05478	8.0
93.07043	14.5
95.04963	2.2
95.08034	1.1
95.08607	14.3
97.02876	0.7
97.06515	2.7
97.10178	1.0
98.20813	1.0
98.21371	1.4
99.08090	1.3
105.07029	5.2
107.04955	1.1
107.08591	9.2
109.06522	2.7
109.10145	4.8
111.08086	1.9
117.07016	1.8
119.08588	3.7
121.06490	1.5
121.10136	5.6
123.08074	5.6
123.11704	1.5
125.05981	1.1
127.07556	4.2
129.06979	0.7
131.08575	3.1
131.39917	0.6
133.10126	4.3
134.77559	0.8
135.08034	2.1
135.11690	4.2
137.05968	0.9
137.09630	1.2
137.99870	0.8
138.06763	0.9
139.07530	1.3
143.08521	1.0
145.10085	1.4
147.08041	1.0
147.11671	1.7
149.05989	1.2
149.09631	1.1
149.13289	5.5
151.07550	27.7
152.04663	1.1
153.05527	0.9
153.09047	0.8
154.06180	1.0
157.10101	0.8
159.11685	2.1
161.13196	1.1
163.07541	2.0
163.11235	0.7
163.14775	1.2
165.09181	3.7
167.07019	3.8
169.08603	100.0
170.08998	1.3
171.11617	0.8
173.09677	0.8
173.13266	1.0
175.14859	1.4
177.05470	1.3
177.09177	1.0
177.12680	1.4
181.08571	2.5
187.14854	0.7
189.09113	0.9
191.07077	1.8
191.10622	0.6
192.07860	0.7
195.06569	7.9
195.13855	1.6
205.08546	0.8
207.10126	1.7
211.09627	0.7
213.07574	2.8
218.03802	0.6
223.09688	2.7
233.11813	1.3
241.19437	0.8
247.13400	0.8
259.13309	0.9
277.21716	1.4
301.07175	0.8
333.20883	0.7
357.24393	1.2
375.25220	3.3
377.23398	0.9
389.26843	0.8
409.27237	1.3
427.28149	3.5
445.29221	4.4
463.30588	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	463.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01859	7.6
55.05517	21.1
57.03437	21.5
57.07067	13.5
65.03916	4.1
67.05167	4.2
67.05508	63.6
68.67255	2.6
68.99777	2.9
69.03424	5.6
69.07074	33.5
71.04970	7.8
71.58003	2.9
75.49577	2.7
79.05495	41.4
81.03403	6.8
81.07063	81.6
83.01343	14.6
83.04992	7.6
83.08629	18.3
85.06554	13.2
87.04478	2.9
91.05482	28.0
93.07053	50.0
95.04990	13.5
95.08611	68.2
97.02860	3.5
97.06523	10.9
97.10165	10.0
99.04453	3.9
99.08111	19.6
105.07029	26.7
107.04961	7.3
107.08595	26.4
109.06496	14.7
109.10166	30.9
111.04444	5.7
111.08083	6.9
111.11716	3.5
113.06006	5.8
117.07034	13.0
119.08579	23.2
121.06525	7.7
121.10151	19.0
123.04428	5.6
123.08065	8.2
123.11703	17.6
125.05994	21.5
125.09620	3.5
127.03876	8.4
127.07577	4.2
129.06999	5.8
131.08589	15.1
132.00130	2.8
133.10129	17.6
135.08038	8.2
135.11723	15.0
137.05948	9.0
137.09618	3.5
137.13248	5.8
139.03922	8.8
139.07544	4.2
141.05444	6.8
143.08577	6.4
145.10109	14.7
147.11670	11.9
149.05890	3.0
149.09621	6.1
149.13268	12.6
151.03915	7.7
151.07532	5.3
151.11192	4.2
153.05476	100.0
154.06213	20.1
155.06999	9.6
157.10156	6.1
159.11720	10.1
161.06049	3.6
161.09621	5.4
161.13274	6.9
163.07494	4.1
165.05382	3.9
165.09109	4.2
167.03366	4.9
167.07048	39.5
169.04999	12.8
171.06497	6.7
171.11687	6.7
173.13280	8.4
175.07600	4.5
175.11165	5.7
175.14848	4.8
177.09143	5.7
177.12717	2.7
179.07063	7.9
181.04964	51.7
181.08540	5.1
183.11691	4.9
185.04482	5.0
185.13187	6.1
187.06020	8.6
189.09138	5.4
191.07039	5.5
191.18182	3.8
196.07262	5.4
197.04419	4.2
197.13243	2.8
203.10780	5.4
203.14320	3.3
205.08519	5.0
205.12244	3.6
207.06592	7.4
213.03995	3.5
217.08713	6.2
219.10091	3.0
231.10204	7.3
231.17380	2.9
233.11696	3.5
251.50470	2.9
259.13147	2.8
275.19986	6.4
291.19656	3.7
293.21075	3.4
301.07077	3.6
308.06781	3.3
353.21057	3.7
389.26813	4.7
399.25052	7.9
409.23587	6.0
417.33344	3.2
421.32953	4.2
427.24701	9.3
427.31870	8.6
427.40622	3.0
445.25751	5.1
445.33182	13.1
463.17572	8.2
463.30219	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01874	5.7
55.05511	24.0
57.03439	13.2
57.07071	3.6
63.11168	2.5
65.03927	4.9
65.28081	2.6
67.05502	73.4
69.03435	28.7
69.07066	15.8
71.04993	6.5
77.15935	3.1
79.05492	65.7
81.03399	9.4
81.07059	82.6
82.07395	3.5
83.01347	4.8
83.04974	12.4
83.08613	11.5
83.57911	2.7
85.02920	5.1
85.06548	5.9
86.71893	2.8
91.05477	59.9
93.06463	4.8
93.07043	67.8
95.04963	17.8
95.08051	3.5
95.08610	48.2
97.06550	14.3
97.10157	4.1
98.21317	15.6
99.04478	2.8
105.06370	4.0
105.07037	44.0
107.04964	13.7
107.08597	38.0
109.06541	15.0
109.10184	17.2
111.08058	4.1
117.06995	24.1
119.08571	33.5
121.06527	14.0
121.10133	25.1
123.08053	13.0
123.11713	3.5
125.06001	5.8
125.09621	7.2
129.07033	13.8
131.08582	35.7
133.06477	6.0
133.10130	23.2
135.08043	14.4
135.11668	28.5
137.05974	18.6
137.09592	8.8
139.07521	4.5
141.07108	3.2
143.08549	10.9
145.10130	32.1
147.08046	10.6
147.11681	11.4
149.09624	11.7
149.13257	7.8
151.07504	5.7
151.11220	4.9
153.05518	3.9
155.07039	100.0
155.08379	7.2
157.10126	12.0
159.11668	11.1
161.09628	10.1
161.13214	6.8
163.11191	12.7
165.09033	3.6
167.07059	29.2
169.09985	3.7
171.11674	9.1
173.09686	3.8
173.13242	12.9
175.07652	3.9
175.11205	4.5
177.12665	4.0
181.03387	3.5
181.04956	63.2
181.12167	4.2
183.11638	3.4
185.13306	4.9
187.14830	11.1
189.12666	13.2
191.07014	6.2
193.08591	6.0
193.12155	3.7
195.13762	3.6
197.13274	3.6
199.11096	3.0
202.20485	2.7
205.15941	4.9
211.14754	4.1
227.12801	6.7
227.18118	3.6
231.17505	5.5
233.15327	6.5
235.16899	7.2
237.16423	4.2
245.18958	7.0
247.16914	8.1
255.17467	8.2
265.17844	3.5
273.18436	40.3
291.19543	14.8
427.24554	3.7
445.29333	3.2
463.27069	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85384	0.4
53.03941	0.7
55.01856	0.8
55.05519	2.6
57.03433	3.1
57.07074	0.8
59.05005	0.6
67.05505	3.8
69.03433	11.0
69.06721	0.7
69.07071	8.8
71.04980	1.0
79.05502	3.7
81.03409	2.9
81.07056	7.1
83.01322	0.9
83.04984	2.7
83.08602	1.1
85.02905	6.6
85.06532	1.4
87.04465	6.2
91.05482	4.0
93.07040	4.4
95.04973	3.0
95.08611	5.0
95.78487	0.5
97.02893	9.4
97.06529	1.3
97.10108	0.5
98.21133	2.3
99.04469	1.4
99.08058	0.6
102.79222	0.4
105.07026	3.7
107.04946	1.1
107.08598	4.0
109.02856	0.7
109.06521	2.3
109.10152	4.2
111.04421	0.7
113.06079	0.5
115.03934	10.5
117.06988	0.7
119.04933	1.2
119.08565	3.2
121.06497	1.3
121.10155	3.4
123.04442	1.3
123.08079	1.8
123.11713	8.1
124.01692	0.5
125.05994	1.9
125.09623	1.7
127.03870	1.3
128.06308	0.5
131.04791	0.5
131.08566	1.8
133.04971	12.6
133.06454	0.6
133.10118	3.0
135.04433	0.9
135.07999	1.3
135.11702	1.3
137.05995	4.4
137.09619	1.2
137.13254	0.7
138.03055	0.7
139.07527	0.6
143.08572	1.1
145.04932	0.6
145.06480	0.5
145.10057	2.1
147.04390	2.2
147.08073	1.0
147.11667	1.9
149.09621	1.5
149.13249	0.7
151.07552	2.6
151.10106	0.6
151.11194	6.5
153.01801	0.7
153.05531	0.6
157.10136	1.0
159.11668	1.4
161.09622	0.8
161.13205	0.6
163.07492	0.7
163.11194	1.6
165.05441	0.7
165.09140	1.2
166.02592	0.9
167.03383	2.7
167.07036	3.3
167.10712	0.7
169.12271	1.1
171.11748	1.1
173.09561	0.7
173.13295	1.3
175.11224	1.1
177.09099	1.3
177.12750	0.5
179.10641	0.9
181.04958	32.7
183.11589	0.4
184.03658	1.0
185.13254	0.7
187.11180	0.9
187.14862	0.6
191.10631	0.8
191.14394	0.6
193.08611	0.7
201.09134	0.5
201.12788	0.6
203.03387	0.6
213.05478	0.6
219.13826	1.9
241.04863	0.6
247.13290	1.0
258.05234	10.9
277.08627	0.5
286.04675	6.9
287.12289	0.5
301.07074	100.0
301.10645	21.5
302.07407	3.0
302.10715	0.9
409.27402	0.6
427.28378	1.6
445.29422	1.6
463.12299	21.8
463.26065	0.9
464.12607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.01863	9.7
55.05305	2.1
55.05513	27.7
55.82285	2.1
57.03425	9.7
57.07054	3.6
59.14352	2.4
63.98649	2.2
65.03932	4.3
67.05508	83.2
67.92043	2.3
69.03431	24.2
69.07074	25.6
70.07781	2.2
71.04993	5.4
79.05064	4.2
79.05494	73.0
81.03416	13.5
81.07059	100.0
83.01321	4.5
83.04991	16.6
83.08630	14.3
85.02882	3.5
85.06517	8.7
91.05484	69.3
92.05812	2.5
93.06461	4.7
93.07048	74.7
95.04963	25.2
95.08619	44.0
96.08891	2.7
97.06549	14.2
97.10152	5.9
98.21134	14.8
99.08064	5.7
103.05444	3.4
105.07034	39.8
107.04974	17.2
107.08597	44.4
109.06512	20.9
109.10172	20.1
111.08073	7.2
113.09629	3.0
115.05434	3.7
115.67014	2.2
117.07021	21.9
119.08585	38.0
121.06477	15.9
121.10140	29.7
122.06884	2.5
123.08054	8.6
123.11702	5.8
125.06033	7.2
125.09629	7.5
127.07515	3.3
128.06210	3.1
129.07008	12.8
131.08562	36.7
132.08905	3.9
133.06528	5.5
133.10130	30.5
135.08055	11.2
135.11699	19.3
137.05986	21.5
137.09621	9.1
139.07512	3.9
141.06979	2.8
143.08545	9.0
145.10139	27.6
147.08066	13.3
147.11691	12.2
149.09648	11.6
149.13251	17.5
151.07565	11.4
151.11179	4.7
153.05466	6.1
155.07039	72.8
155.08321	3.3
155.97269	2.2
157.10106	11.0
159.08067	3.0
159.11742	18.5
161.09607	8.2
161.13266	4.2
163.07629	2.1
163.11171	11.7
165.09090	7.0
167.07068	27.9
167.08437	3.9
169.10132	4.1
171.11737	7.0
173.09639	3.2
173.13263	10.7
175.07579	3.6
175.11285	4.4
177.12793	4.5
181.04962	54.3
183.11629	3.0
185.13348	3.6
187.14798	10.4
189.12720	3.7
189.16380	4.3
191.07034	7.1
191.10724	3.5
191.14339	2.6
193.08597	4.6
193.12206	3.0
195.13800	9.2
199.14799	4.8
205.15866	5.3
211.14841	5.8
213.16335	3.0
217.15912	4.9
227.12804	3.1
229.15854	2.9
231.17461	6.0
235.16904	7.0
237.16461	2.9
245.18962	3.1
247.17026	12.2
251.16319	2.6
255.17447	5.9
273.18542	26.4
291.19547	10.9
407.27341	2.6
445.29242	11.8
463.31061	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	463.16
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
55.01880	1.8
55.05513	2.3
57.03432	1.5
65.96062	1.2
67.05504	3.9
69.03426	5.1
69.07062	2.4
71.02805	2.2
71.05025	1.6
73.02947	1.2
73.10472	1.0
79.05502	2.0
81.03423	2.4
81.07069	6.6
83.01330	1.3
83.04998	1.7
85.02905	6.8
91.05485	8.3
93.07053	4.1
95.04977	2.5
95.08612	5.1
97.02898	2.7
99.04443	1.8
103.07745	1.1
105.07045	3.2
106.24313	1.2
107.04961	3.2
107.08594	4.5
109.02903	1.8
109.06512	2.5
109.10155	2.7
119.04942	11.9
119.08618	2.9
121.06469	2.2
121.10149	3.4
123.04394	1.4
123.08086	2.4
125.06017	1.7
125.09634	2.1
127.03935	2.3
131.08594	1.8
133.10147	2.7
137.05992	8.5
145.10165	2.0
147.04433	39.7
147.11690	1.6
151.07579	2.6
153.01895	1.5
154.08630	4.3
158.31918	1.3
159.11758	1.2
161.09595	1.3
165.09178	1.3
167.07042	1.9
167.10765	1.3
171.11804	1.4
181.04974	58.9
189.05470	1.3
201.31609	1.2
203.10799	1.4
211.10831	2.2
219.06516	1.4
219.13863	1.3
301.10724	100.0
302.10977	1.3
375.29926	1.2
445.29688	1.4
448.98633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01866	1.3
55.05500	1.1
55.57125	0.4
57.03448	2.3
61.02909	1.6
62.42504	0.4
63.22124	0.4
65.03944	0.6
67.05509	4.8
69.03433	6.1
69.07065	5.1
70.05435	1.6
71.04983	1.3
73.02922	2.1
79.05495	2.4
81.03430	2.7
81.07055	4.4
83.01348	2.7
83.04980	1.5
83.08610	0.8
85.02908	17.7
85.03427	0.9
85.06535	1.7
87.04464	1.2
91.03952	0.8
91.05486	5.3
93.07045	2.7
95.04965	3.8
95.08594	3.1
97.02898	5.6
97.06507	1.4
97.10181	0.7
98.21085	0.8
99.04459	1.1
105.07023	2.3
107.04942	3.2
107.08591	3.1
109.02862	2.3
109.06503	1.1
109.10151	2.5
111.04457	0.7
111.08098	0.6
115.03919	0.9
119.04945	9.8
119.08586	2.3
121.02895	0.6
121.06478	1.0
121.10181	2.6
123.04412	2.5
123.08077	1.3
123.11715	4.2
125.06013	2.1
125.09615	0.9
127.03925	3.6
131.08571	0.9
133.05003	1.1
133.10153	2.1
135.04402	0.5
135.08069	0.9
135.11708	0.4
137.05942	3.3
137.09610	1.3
139.03891	1.2
139.07567	0.9
143.03371	0.5
143.08560	0.7
145.04999	2.2
145.06290	0.4
145.10146	1.4
147.04413	37.2
147.11688	1.2
149.09622	1.2
151.07521	1.8
151.11127	2.5
153.05482	1.1
153.42134	0.5
157.10129	0.5
159.11649	0.9
161.09584	0.8
161.13246	0.8
163.03862	1.4
163.11212	1.0
165.09126	0.9
167.03484	0.4
167.07018	1.1
171.08150	0.5
171.11728	0.6
173.09589	0.6
173.13225	0.9
175.14708	0.5
177.09171	0.4
179.07011	1.6
179.08467	0.6
179.10666	0.8
181.04959	79.1
182.05362	0.5
189.05472	0.8
191.10709	0.6
191.14345	0.5
193.75958	0.5
199.06024	6.7
207.06473	2.0
219.13806	0.4
231.13606	0.6
259.09586	0.4
283.09634	0.9
283.15622	0.5
291.15717	0.5
301.10699	100.0
302.11160	2.1
427.28336	1.6
445.29352	1.8
463.16913	1.0
463.30850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03953	0.5
55.01896	0.9
55.05510	2.1
57.03435	1.8
57.07084	0.7
59.05021	1.0
62.32193	0.4
67.05511	3.8
69.03430	9.9
69.07069	7.9
69.07447	0.4
71.05019	0.6
79.05496	2.9
81.03417	2.0
81.07062	6.4
81.07503	0.4
83.01389	0.6
83.05015	1.7
83.08649	0.8
85.02910	5.5
85.03343	0.4
85.06585	1.0
87.04470	5.4
87.04937	0.3
91.05482	3.0
93.07041	4.0
93.88393	0.3
95.04970	1.7
95.08606	3.7
97.02892	7.6
97.06580	1.0
97.10213	0.4
99.04524	1.1
105.07048	2.5
107.05007	1.1
107.08597	3.4
107.12569	0.4
109.02883	0.6
109.06530	2.2
109.10156	3.4
111.08091	0.6
115.03932	8.3
117.07040	0.7
119.05006	1.4
119.08592	2.3
121.06542	1.1
121.10140	2.4
123.04473	1.1
123.08108	0.8
123.11712	7.1
123.12556	0.5
124.01678	0.4
125.06041	1.6
125.09611	2.0
127.03970	0.8
131.04985	0.5
131.08632	1.5
133.04973	8.5
133.06538	0.8
133.10141	2.2
135.04456	0.9
135.08113	1.0
135.11778	1.3
137.05980	2.8
137.09656	1.0
138.03133	0.6
139.07620	0.7
139.11230	0.6
141.05481	0.5
141.09134	0.4
142.07864	0.3
143.08585	0.9
145.04968	0.4
145.06491	0.4
145.10204	1.1
147.04416	2.5
147.08101	0.5
147.11742	1.2
149.06047	0.6
149.09689	0.9
149.13301	0.8
151.03909	0.5
151.07573	2.8
151.11162	5.3
151.97980	0.3
152.07935	0.4
153.01926	0.9
153.05533	0.9
155.08649	0.4
157.10211	0.6
159.08141	0.4
159.11760	1.1
160.20813	0.4
161.02429	0.5
161.09712	1.2
161.13306	0.5
163.07480	0.5
163.11240	0.5
165.05580	0.4
166.02721	0.7
167.03369	2.5
167.07057	3.2
169.10092	0.7
169.12294	0.4
171.11761	0.5
173.09772	0.3
173.13275	0.8
175.11227	0.5
177.09105	0.7
179.03526	0.3
181.04970	30.2
184.03720	0.6
184.05214	0.4
185.04559	0.5
185.09602	0.4
187.11241	0.7
187.14897	0.5
189.12796	0.5
191.10815	0.4
191.14325	0.4
193.12326	0.6
195.10179	0.4
201.12863	0.7
207.13718	0.4
215.14484	0.4
217.12421	0.6
219.13884	0.8
241.04964	0.5
247.13176	0.5
258.05249	10.0
265.14438	0.4
283.15414	0.4
286.04761	7.0
301.07147	100.0
301.10709	19.4
302.07449	2.4
302.10788	0.5
348.87469	0.3
368.15234	0.4
409.27573	0.4
410.18192	0.4
427.28616	1.4
445.29855	0.7
463.12357	22.4
463.26678	0.9
464.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
52.60519	0.4
54.45394	0.3
55.01873	0.5
55.05520	0.5
57.03416	0.4
61.02930	6.9
67.05486	1.7
68.99820	0.4
69.03421	2.6
69.07073	0.8
69.34186	3.4
71.04987	1.3
73.02911	1.7
77.60958	0.3
79.05501	1.8
81.03403	0.6
81.07050	2.3
83.01332	0.9
83.08614	0.5
85.02909	5.6
85.06514	0.5
91.03970	2.9
91.05476	0.9
92.68531	0.4
93.07051	1.9
95.04948	1.0
95.08605	1.4
97.02889	3.2
97.06534	0.5
98.21329	1.3
99.04436	0.6
105.07034	1.5
107.04962	1.5
107.08576	1.3
109.02936	0.5
109.06498	0.7
109.10163	1.3
111.04483	0.6
111.08128	0.5
115.03922	0.6
117.07011	0.4
119.08574	0.9
121.02873	2.1
121.06498	0.6
121.10143	1.6
123.04428	1.1
123.11694	0.6
125.09673	0.5
127.03900	1.2
131.08554	1.0
133.02844	0.7
133.10135	1.0
134.10468	0.5
135.00565	0.5
135.04437	0.4
135.07997	0.4
135.11691	0.9
137.05952	2.5
137.09673	0.4
142.20082	0.4
145.10085	0.5
147.04420	1.3
147.11668	0.6
149.05920	0.4
149.09592	0.6
151.03880	0.7
151.07524	1.1
151.11189	0.4
153.01804	1.3
155.58766	0.4
159.11700	0.5
161.05992	0.8
161.09575	0.6
161.13289	0.6
165.09120	0.5
167.03419	4.1
167.07013	0.7
171.08002	0.7
177.09073	0.4
179.03415	2.9
190.08508	0.4
191.07124	0.5
193.04953	0.4
197.04417	0.5
227.07074	1.3
231.26994	0.4
245.08096	0.6
255.06526	1.0
272.06818	1.4
277.21585	0.8
295.22678	0.5
298.08371	0.4
299.05396	0.8
301.07071	100.0
302.07452	2.4
313.23553	0.4
317.06384	2.4
351.14130	1.2
399.12164	0.4
463.15875	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	463.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.6
55.05502	1.9
57.03424	2.0
57.75702	0.5
59.04996	0.5
67.05505	1.1
69.03422	0.9
70.87720	0.5
70.88068	1.2
71.04997	14.7
73.02902	1.2
77.94837	0.4
79.05482	1.0
79.63082	0.4
81.03407	1.1
81.07050	1.3
83.04614	0.4
83.04987	4.2
84.58416	0.4
85.02908	18.2
85.03426	0.9
85.06550	0.6
87.04463	0.8
91.05472	1.2
93.07038	1.4
94.04156	0.6
95.05021	0.7
95.08630	1.0
97.02866	0.5
98.21081	0.8
99.04452	0.8
100.11234	1.1
105.07037	1.2
107.04970	0.9
107.08590	1.3
108.05288	0.5
109.02875	0.6
109.10124	0.5
111.04453	1.4
119.04985	0.5
119.08573	1.3
121.10146	0.9
122.03600	0.4
123.04411	0.7
123.08004	0.8
125.09647	0.5
129.05479	4.5
133.10179	0.7
137.02394	0.6
137.05988	6.0
137.09615	0.8
139.74026	0.4
145.02837	1.1
147.04375	0.4
147.06560	0.4
149.05939	0.5
149.09599	0.6
153.01846	2.5
161.05989	1.1
161.09659	0.5
163.03996	0.6
165.09062	0.6
167.07060	0.5
167.10510	0.5
168.22896	0.5
173.02353	2.7
175.27353	0.4
178.50034	0.4
189.09135	0.5
190.02696	0.6
191.07202	0.6
201.01846	7.0
218.02089	1.5
219.06419	0.9
223.07536	0.5
229.01314	3.8
246.01682	2.3
257.00824	30.0
265.08508	0.7
274.01086	1.1
283.09772	0.9
285.00317	44.3
286.00900	2.4
297.11285	1.3
301.06940	0.8
301.11526	0.7
302.00574	5.8
317.02927	100.0
318.03180	2.2
319.04498	4.3
359.04141	2.7
413.13950	0.6
445.15988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69530	0.4
63.39965	0.5
71.35270	0.5
85.02912	1.4
87.00011	0.6
97.02909	0.9
99.86938	0.5
101.00887	0.7
119.01964	0.6
120.95379	1.1
131.01942	1.4
138.05515	0.8
138.96458	1.4
141.53285	0.6
143.01910	2.1
145.00819	0.7
145.03450	0.8
156.97487	8.6
161.02940	1.3
173.02940	2.1
174.98544	8.1
180.97443	11.1
180.98877	0.8
182.98973	0.7
185.02979	3.0
194.99060	0.8
197.02928	0.8
198.98549	100.0
199.98701	2.3
201.00235	0.6
203.04019	0.6
210.98517	4.4
213.00110	2.8
215.04048	0.9
216.97504	1.2
216.99600	22.6
217.99843	0.5
220.21530	0.5
222.00145	1.6
222.98611	1.0
227.04068	1.1
228.99612	7.4
232.03339	0.9
234.98572	3.9
240.99590	20.0
241.99796	0.8
245.05103	5.3
247.00665	1.5
252.99602	2.2
259.00677	10.3
271.00717	1.0
275.06091	0.8
277.01733	2.3
283.00681	11.0
301.01712	29.1
302.01831	0.9
305.07327	0.7
319.02756	6.0
320.02792	0.6
343.02872	1.3
463.06949	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	463.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.6
57.03437	0.5
61.02916	0.4
69.03420	1.4
69.37949	1.5
69.38380	1.5
81.03411	0.6
85.02904	2.0
97.02870	2.4
98.20821	0.8
98.97624	0.7
101.00881	1.5
103.67854	0.4
109.02873	1.2
109.22280	0.3
119.01939	2.3
120.95428	0.9
127.03909	1.1
131.01906	1.5
138.96425	1.2
143.01868	2.1
145.03433	1.3
153.01845	2.6
155.01878	2.0
156.97479	10.1
157.03499	0.7
161.02942	2.0
167.01939	0.5
171.05113	0.4
173.02980	2.3
174.98538	8.2
180.97447	10.4
182.99034	1.4
185.02963	3.7
187.04611	0.5
189.06056	0.4
194.99034	0.8
197.02956	1.1
198.98540	100.0
199.98608	2.7
201.00177	1.0
203.04022	1.7
210.98512	3.5
213.00092	3.8
215.04086	0.7
216.99599	29.1
217.99724	0.9
221.05020	1.1
222.00153	1.9
222.98486	1.4
225.00101	1.0
227.01720	0.6
227.03951	1.2
228.99603	8.3
234.98553	4.6
237.02866	0.5
240.01257	0.7
240.99588	19.3
241.99689	0.5
243.01259	0.7
245.05052	5.6
247.00575	1.1
252.99602	2.4
259.00629	9.7
263.06131	1.0
264.99722	0.6
271.00687	1.2
275.06073	0.7
277.01773	1.6
282.02283	0.7
283.00620	10.4
284.00781	0.6
292.01236	0.4
301.01685	28.2
302.01877	0.7
303.01468	1.2
305.07193	0.9
319.02676	6.0
324.88287	0.3
343.02817	1.3
373.03720	0.7
426.61255	0.4
463.06833	6.2
463.12653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0874
Annotation	3'-mono-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.6
55.05502	1.9
57.03424	2.0
57.75702	0.5
59.04996	0.5
67.05505	1.1
69.03422	0.9
70.87720	0.5
70.88068	1.2
71.04997	14.7
73.02902	1.2
77.94837	0.4
79.05482	1.0
79.63082	0.4
81.03407	1.1
81.07050	1.3
83.04614	0.4
83.04987	4.2
84.58416	0.4
85.02908	18.2
85.03426	0.9
85.06550	0.6
87.04463	0.8
91.05472	1.2
93.07038	1.4
94.04156	0.6
95.05021	0.7
95.08630	1.0
97.02866	0.5
98.21081	0.8
99.04452	0.8
100.11234	1.1
105.07037	1.2
107.04970	0.9
107.08590	1.3
108.05288	0.5
109.02875	0.6
109.10124	0.5
111.04453	1.4
119.04985	0.5
119.08573	1.3
121.10146	0.9
122.03600	0.4
123.04411	0.7
123.08004	0.8
125.09647	0.5
129.05479	4.5
133.10179	0.7
137.02394	0.6
137.05988	6.0
137.09615	0.8
139.74026	0.4
145.02837	1.1
147.04375	0.4
147.06560	0.4
149.05939	0.5
149.09599	0.6
153.01846	2.5
161.05989	1.1
161.09659	0.5
163.03996	0.6
165.09062	0.6
167.07060	0.5
167.10510	0.5
168.22896	0.5
173.02353	2.7
175.27353	0.4
178.50034	0.4
189.09135	0.5
190.02696	0.6
191.07202	0.6
201.01846	7.0
218.02089	1.5
219.06419	0.9
223.07536	0.5
229.01314	3.8
246.01682	2.3
257.00824	30.0
265.08508	0.7
274.01086	1.1
283.09772	0.9
285.00317	44.3
286.00900	2.4
297.11285	1.3
301.06940	0.8
301.11526	0.7
302.00574	5.8
317.02927	100.0
318.03180	2.2
319.04498	4.3
359.04141	2.7
413.13950	0.6
445.15988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01868	4.1
62.01036	3.5
65.03942	3.6
65.50198	3.2
67.05495	4.6
69.03425	8.7
69.58041	3.4
70.06629	3.7
71.05012	4.6
71.56845	5.9
74.64177	3.1
75.65493	3.3
80.82235	3.6
81.03420	5.1
82.37489	3.1
85.02901	11.8
91.05462	4.1
91.71269	3.6
93.07036	4.1
95.04950	8.9
95.08602	4.3
97.02889	6.6
97.06538	4.0
105.07040	10.7
107.08568	6.6
109.02910	5.5
109.06506	5.5
111.04426	4.5
111.08045	4.4
113.59069	3.1
117.07029	4.7
119.08593	11.9
121.06525	3.3
123.04413	3.7
123.08101	4.3
124.03931	4.1
124.07620	4.9
127.03905	9.2
129.06924	3.7
131.08556	5.8
132.40500	3.7
135.08057	14.2
139.03949	4.4
147.08121	6.7
148.09752	4.6
152.07065	9.9
153.01842	35.4
155.08646	4.4
159.08063	6.3
159.11673	6.1
164.07117	5.5
171.11659	4.0
173.13292	7.9
175.07561	7.5
203.10646	9.1
215.66011	4.5
247.13300	25.6
265.14343	100.0
310.12784	5.6
369.88449	3.9
462.14578	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	462.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.1
55.01865	5.6
55.05509	22.4
57.03433	6.7
57.07074	5.4
66.07727	4.4
67.05501	47.0
69.07063	11.2
71.06432	10.6
79.05510	40.5
81.03429	9.2
81.07067	50.1
83.04974	9.8
83.08608	8.1
85.02856	4.0
91.05482	38.4
91.41564	4.4
93.07047	37.2
95.04968	13.6
95.08601	38.0
97.02874	5.3
97.06553	5.6
105.07052	38.3
107.08592	23.3
109.06533	13.8
109.10189	13.8
111.04434	5.3
111.08057	5.6
117.06979	22.1
119.08597	31.4
121.06473	5.4
121.10173	17.1
123.08082	9.2
128.04388	5.0
128.06207	6.6
129.07051	6.5
131.08583	20.5
133.06421	5.9
133.10152	18.2
135.08037	9.9
135.11652	13.2
137.09657	9.7
141.86137	5.1
143.08565	11.7
145.06532	5.2
145.10143	20.5
147.07983	5.2
147.11700	11.0
149.09636	5.7
149.13145	7.4
153.05531	5.8
155.07106	6.9
157.10158	11.7
159.11700	13.2
161.09573	5.1
161.13210	6.1
163.07533	5.9
167.07082	12.8
169.10126	4.7
173.09557	5.0
181.04994	7.8
187.11192	5.9
187.14957	5.0
189.09137	8.3
213.16264	5.8
246.04170	5.0
266.57901	4.5
285.10031	6.6
324.11612	6.6
339.23099	4.7
367.22653	8.7
381.24716	7.1
391.22659	15.8
409.23730	100.0
427.24774	59.5
430.32349	5.0
462.29221	15.5
463.30566	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	462.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
56.58947	0.4
57.07066	1.0
67.05516	3.6
69.07055	2.0
69.38951	1.1
69.39375	2.7
73.09834	0.4
79.05492	0.9
81.07053	2.6
82.10826	0.5
83.08592	0.8
85.06535	0.6
91.05457	0.6
93.07062	2.3
95.08603	1.9
98.21132	2.4
105.07029	0.5
107.08609	1.0
109.10153	4.4
119.08605	3.0
121.06513	9.4
121.10158	1.1
122.07272	1.4
122.56027	0.5
124.06667	0.5
135.08069	1.1
136.08841	12.2
137.05934	0.5
137.09621	11.6
138.15631	0.5
149.09639	1.2
151.07545	1.2
152.08315	1.4
159.11736	0.9
164.08350	32.4
165.09122	100.0
166.09601	2.0
167.07101	2.5
177.09158	1.6
177.12689	0.6
187.11255	0.6
189.09169	1.3
190.09813	0.8
199.50468	0.5
203.10651	1.3
205.12254	6.1
237.78781	0.5
380.80023	0.5
388.25900	0.6
426.34915	3.0
444.36014	83.4
445.36224	1.7
453.97626	0.5
462.20358	0.6
462.32733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26017	0.6
53.03954	0.7
55.01860	0.7
62.39600	0.6
66.21764	0.6
67.05475	0.6
69.03428	4.0
69.05172	0.6
70.83102	1.3
71.04982	1.0
71.74480	0.6
74.09731	0.8
79.01853	2.7
80.34186	0.6
81.03416	8.4
81.07038	0.7
85.02905	2.8
91.05399	0.9
93.07023	0.9
93.94757	0.6
95.04947	0.7
95.08568	0.8
96.08083	0.5
97.02893	6.3
99.04446	1.5
99.94744	0.6
107.01315	1.9
109.02869	5.4
113.03440	1.1
116.58424	0.6
119.04956	0.8
121.10152	0.6
124.33865	0.6
124.84482	0.6
125.02358	2.6
127.03912	9.5
134.08116	1.7
138.05487	0.8
138.09142	0.7
143.03416	5.7
145.04955	1.9
147.04436	3.4
152.78703	0.7
153.01826	100.0
153.02776	3.5
154.02171	1.7
166.08685	2.4
171.02890	15.2
177.05479	1.0
182.08176	0.6
184.09776	0.6
200.09218	0.8
211.10768	1.2
212.11096	1.5
247.29347	0.7
249.33928	0.6
263.31763	0.8
268.11853	0.8
297.06024	11.1
315.07098	15.4
462.23456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26017	0.6
53.03954	0.7
55.01860	0.7
62.39600	0.6
66.21764	0.6
67.05475	0.6
69.03428	4.0
69.05172	0.6
70.83102	1.3
71.04982	1.0
71.74480	0.6
74.09731	0.8
79.01853	2.7
80.34186	0.6
81.03416	8.4
81.07038	0.7
85.02905	2.8
91.05399	0.9
93.07023	0.9
93.94757	0.6
95.04947	0.7
95.08568	0.8
96.08083	0.5
97.02893	6.3
99.04446	1.5
99.94744	0.6
107.01315	1.9
109.02869	5.4
113.03440	1.1
116.58424	0.6
119.04956	0.8
121.10152	0.6
124.33865	0.6
124.84482	0.6
125.02358	2.6
127.03912	9.5
134.08116	1.7
138.05487	0.8
138.09142	0.7
143.03416	5.7
145.04955	1.9
147.04436	3.4
152.78703	0.7
153.01826	100.0
153.02776	3.5
154.02171	1.7
166.08685	2.4
171.02890	15.2
177.05479	1.0
182.08176	0.6
184.09776	0.6
200.09218	0.8
211.10768	1.2
212.11096	1.5
247.29347	0.7
249.33928	0.6
263.31763	0.8
268.11853	0.8
297.06024	11.1
315.07098	15.4
462.23456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	19.2
55.05508	39.4
56.14479	11.5
57.03440	15.2
57.07050	10.0
62.65897	10.7
67.05500	76.1
68.79354	10.3
69.03426	12.1
69.07066	34.1
70.28034	37.2
70.28391	18.7
79.05511	61.1
80.05853	11.7
81.03408	35.6
81.07071	89.3
83.04984	18.5
83.08614	24.1
91.05489	38.6
92.05824	13.1
93.07067	59.7
94.07358	11.8
95.04959	28.5
95.08614	45.6
98.21099	26.4
105.07018	44.6
106.07378	12.4
107.08583	29.6
117.07068	13.6
119.08556	16.6
121.06513	11.9
121.10131	19.5
131.08568	31.4
132.45943	11.2
133.06480	22.0
133.10150	20.3
135.08139	14.1
137.06000	47.5
147.11711	15.7
149.13255	15.2
151.07487	14.7
157.10239	13.7
159.11748	14.1
161.06001	100.0
163.07553	18.6
167.07057	31.3
175.07620	18.1
194.07352	12.7
195.13864	16.9
202.38936	12.9
233.09607	42.7
235.07739	13.1
250.09918	14.4
261.08902	27.4
264.07562	11.7
265.08633	76.6
265.12079	14.3
284.10590	10.8
293.11801	55.6
297.11212	73.8
325.14349	73.1
353.13855	39.0
385.16440	83.3
444.28464	23.7
444.66995	11.8
462.29373	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39919	0.5
53.03931	1.2
55.01875	1.3
55.05301	0.6
55.05515	6.5
57.03428	1.4
57.07071	1.5
59.05001	0.8
67.05507	13.6
69.03421	2.9
69.07072	6.2
70.54725	2.1
71.04994	0.9
75.65045	0.6
79.05491	8.0
80.19396	0.6
80.92002	0.6
81.03430	3.8
81.07062	16.5
83.04972	3.6
83.08620	3.2
85.02888	0.7
85.06535	2.1
91.05482	6.8
93.07050	9.3
95.04999	4.7
95.08614	20.5
97.02956	0.7
97.06533	1.7
97.10175	1.8
98.21317	0.7
99.08090	0.8
101.05997	1.7
103.05479	1.1
105.07038	8.4
107.04953	1.9
107.08595	6.7
108.05737	0.8
109.02901	0.7
109.06506	2.5
109.10165	7.4
111.04465	1.0
111.08071	1.0
111.11690	0.7
113.09640	1.0
117.07011	2.7
118.03092	0.6
119.04924	1.4
119.08573	5.8
121.06531	3.1
121.10160	5.1
123.04447	1.2
123.08069	12.9
123.11713	4.0
125.06010	1.3
125.09643	3.2
127.25063	0.6
128.06238	0.8
129.07042	2.2
131.04912	0.7
131.08582	3.5
133.06490	1.5
133.10133	3.9
135.08058	5.9
135.11696	2.6
137.05995	1.6
137.09660	1.7
137.13237	1.5
139.07510	1.0
139.11234	0.7
141.05545	0.6
141.06927	0.9
143.08556	2.4
145.06467	1.0
145.10126	3.3
147.04422	2.6
147.08084	1.1
147.11713	2.8
149.05978	0.8
149.09663	2.9
149.13271	1.9
151.07549	100.0
151.14871	1.3
152.07919	0.9
153.01826	2.0
153.05464	1.0
153.12749	0.8
155.07040	0.7
155.08560	0.9
157.10161	2.3
159.08023	1.4
159.11688	1.4
161.05992	0.7
161.09561	1.2
161.13283	0.7
163.07617	3.1
163.11218	1.4
163.14841	2.1
165.05423	0.7
165.09135	5.6
166.58055	0.6
167.07039	7.0
169.10040	0.7
171.11639	1.1
173.09602	1.7
173.13274	0.9
175.07594	1.5
175.11185	1.6
176.08348	0.6
177.09093	3.9
177.16370	1.1
179.10646	0.8
181.04958	0.7
181.10182	0.7
185.09578	0.6
185.13293	0.9
187.11278	1.0
189.09106	2.5
189.11046	0.6
189.12698	0.7
189.16246	0.7
191.10681	14.2
199.06084	1.0
199.14909	0.9
203.10754	1.1
203.14322	0.6
205.12213	2.3
207.11842	0.7
217.12302	0.8
219.13823	1.2
231.13686	0.7
233.15395	0.8
235.17026	0.6
249.14909	0.6
257.15271	0.8
259.24240	1.0
277.25293	1.1
299.09070	1.1
323.25742	2.0
351.22784	1.3
369.24115	3.6
387.25208	1.6
397.31079	1.2
415.32278	3.5
425.31039	0.8
443.27194	3.8
461.15860	1.0
461.28220	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	461.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.05510	20.2
57.07076	18.9
63.51622	1.7
65.03966	2.1
67.01851	2.1
67.05502	17.7
69.03428	2.9
69.07069	25.1
69.89027	8.8
69.89383	3.5
71.04993	4.3
71.08632	5.6
73.06566	4.4
79.05520	10.2
81.07053	38.5
83.04984	3.9
83.08627	15.6
85.02905	2.7
85.06549	9.5
85.10177	3.8
91.05486	7.7
93.07054	18.8
95.04967	2.9
95.08611	31.6
97.06508	2.6
97.10175	8.7
105.07027	10.1
107.08590	14.5
108.98964	1.9
109.06499	4.7
109.10168	18.9
111.08107	2.2
111.11718	4.9
119.08576	7.9
121.06496	5.9
121.10149	7.8
123.08038	3.0
123.11723	13.0
125.06015	4.4
131.08574	2.8
133.06433	3.0
133.10123	4.7
135.08080	4.2
135.11681	5.0
137.05971	13.9
137.09622	5.3
137.13240	2.8
139.07529	13.6
139.11244	2.8
145.10168	2.9
147.08022	2.0
147.11694	5.9
149.05974	6.0
149.09636	7.1
149.13272	5.4
151.07568	11.0
153.09122	2.0
155.07127	2.2
159.07941	2.4
159.11691	4.0
161.06041	2.5
161.09628	3.3
161.13281	2.3
163.11223	2.8
165.05457	3.5
165.09103	25.7
167.07045	100.0
168.07343	2.0
173.09648	3.4
175.07539	5.3
177.09094	15.3
179.06964	4.8
181.08662	4.0
183.11661	2.5
187.11220	2.6
189.09103	11.2
189.12822	2.2
191.10649	2.9
193.08577	4.5
201.09077	2.1
203.10587	3.0
205.08623	5.8
205.12231	5.7
207.10199	7.4
215.10640	2.4
217.12299	2.3
219.10266	3.9
305.28278	2.0
387.25287	3.5
397.34756	4.3
425.34537	2.5
443.30872	18.5
444.36145	2.3
461.32193	34.1
462.33298	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	461.3261
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
53.03944	0.7
55.05260	0.5
55.05516	5.9
57.07074	4.1
60.09019	0.4
67.01853	1.4
67.05522	3.4
69.03407	0.7
69.07071	5.2
70.29690	1.1
70.30087	1.2
71.04992	1.2
71.08649	1.0
73.06561	3.5
79.05505	2.4
81.07063	9.1
83.01337	1.0
83.04993	2.7
83.08616	1.5
85.06538	1.9
91.05481	2.2
93.07048	8.6
95.04974	0.8
95.08607	6.2
97.06533	0.6
97.10162	1.5
98.20852	0.5
98.21367	0.7
105.07012	1.8
107.08579	2.0
109.06561	0.8
109.10155	4.6
110.22494	0.5
111.08065	0.9
111.11715	0.7
117.07024	0.8
119.08569	2.1
121.06516	2.4
121.10110	1.7
123.08096	0.8
123.11702	2.1
125.05961	0.5
128.06213	0.5
131.08600	0.7
133.10114	1.9
135.08012	0.5
135.11696	1.1
137.05910	0.8
137.13272	1.4
139.07542	4.4
143.08582	1.2
147.08044	1.6
149.06000	6.6
149.09569	0.8
149.13297	0.7
151.07549	7.8
153.05504	1.8
157.10172	0.8
159.11765	0.5
161.05951	3.2
161.09642	4.1
165.09125	0.8
167.07048	100.0
171.08067	0.7
174.06787	1.2
175.07568	4.9
175.11230	1.3
177.09081	0.6
179.07010	2.6
181.08606	1.2
185.09563	0.6
187.11215	0.8
188.08344	1.3
189.09122	11.9
191.07054	1.0
191.10660	1.1
191.17986	0.9
192.07991	0.5
193.08615	1.1
201.09157	0.8
203.10693	1.7
205.08655	3.8
205.12216	0.7
207.10159	6.7
215.10855	1.3
217.12309	1.1
231.13838	0.7
233.11642	0.6
359.25839	2.2
369.24521	0.6
380.72156	0.5
387.25140	2.9
401.40009	0.5
425.30356	1.0
433.29312	0.7
443.31497	13.8
444.32007	0.6
454.71246	0.6
461.32654	47.5
462.32925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01871	0.9
55.05514	2.5
57.03433	0.4
57.07077	15.6
62.68938	0.3
65.03940	0.7
67.05167	0.4
67.05507	5.6
67.13638	0.2
69.07069	3.2
69.61740	1.2
69.62161	0.7
71.04973	0.4
71.08609	0.3
79.05489	3.0
81.03410	0.7
81.07057	4.2
83.01343	7.8
83.04937	0.3
83.08602	1.4
85.06066	0.4
85.06549	6.3
91.05478	1.8
93.07051	1.8
95.04964	1.0
95.08615	3.3
97.02897	1.0
97.06528	0.7
97.10159	1.0
98.21151	0.8
99.08095	0.3
105.07050	1.3
107.04967	1.6
107.08566	1.3
109.06530	1.0
109.10161	1.4
113.26427	0.2
115.03981	0.4
117.07004	0.3
119.04954	0.4
119.08598	0.6
121.06489	0.4
121.10162	0.9
123.11708	0.7
125.06013	0.6
127.11245	0.4
129.01845	3.7
129.06969	0.5
131.08568	0.8
133.10126	0.4
135.04422	7.9
135.11671	0.5
137.05994	0.5
137.13260	0.5
139.03831	0.2
143.08592	0.6
145.10149	0.5
147.08034	0.5
149.09608	0.4
149.13281	0.5
151.07571	0.6
153.05466	3.5
155.07027	0.6
157.04906	0.3
157.10126	0.4
159.08232	0.3
161.13181	0.3
163.03918	1.7
163.11140	0.3
167.07034	1.1
169.05078	0.5
175.07588	0.3
175.11234	0.3
181.04964	19.2
183.06572	0.5
189.09016	0.3
195.06537	14.4
196.06998	0.3
199.06027	27.2
205.12222	0.3
207.06473	0.6
209.08086	7.9
217.12323	0.3
221.08142	0.4
222.07639	0.8
223.09657	7.1
235.09741	0.7
237.11215	5.2
249.11267	0.7
251.12807	4.5
263.12842	0.6
265.14349	2.8
272.89636	0.2
277.14352	0.6
279.15884	1.3
291.15991	0.5
293.17496	1.6
305.17419	0.4
307.19092	0.8
309.17020	0.3
321.20654	1.0
335.22165	0.7
342.55057	0.3
361.23654	2.0
369.24310	0.4
377.21951	0.4
377.26852	7.8
387.25095	0.6
443.27097	0.4
443.32425	0.4
461.32629	100.0
462.32965	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	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.05515	15.5
57.03441	3.1
57.07066	8.1
61.02912	4.3
67.05506	22.5
69.07065	23.6
69.64435	16.6
71.04968	2.7
72.02174	2.8
73.47301	2.3
79.05488	8.8
81.03412	5.3
81.07059	45.9
82.29463	2.8
83.01353	4.3
83.04992	18.3
83.08621	10.0
85.02926	4.7
90.94842	2.8
91.03978	2.9
91.05467	8.8
93.07056	21.5
95.04987	3.6
95.08603	39.1
97.02877	3.7
97.10182	9.2
98.20793	5.3
99.21573	2.9
105.07029	9.0
107.08607	16.8
109.10167	21.3
111.08086	4.5
112.48439	2.5
115.26125	2.7
117.07030	2.5
119.08578	7.2
121.10133	12.5
123.11714	9.2
127.83511	2.7
131.08591	3.6
133.10097	6.6
135.11719	6.2
137.13278	3.0
139.07518	6.6
147.11667	5.8
149.05981	5.2
149.13283	6.7
151.07536	17.0
153.05533	2.6
155.07010	3.2
155.08516	3.6
157.10109	4.0
159.08064	4.1
159.11615	5.1
161.06033	4.8
161.13252	3.1
165.09119	7.8
167.07045	100.0
169.08638	28.5
169.09970	4.7
173.09592	3.4
175.07574	7.6
177.05539	5.9
177.09158	7.7
179.07079	4.8
186.27051	3.0
187.11143	4.1
189.09100	8.9
191.07106	3.9
191.10771	4.4
193.08595	5.4
201.09195	15.7
203.10687	6.6
203.17931	4.1
205.08612	18.5
207.10150	9.1
215.10664	5.0
221.19165	2.9
233.11652	3.5
265.05399	3.1
275.19952	3.2
275.45416	2.5
283.06299	9.3
284.06650	3.6
301.07266	3.9
341.24438	4.0
359.25781	5.0
369.24063	9.2
387.25327	64.0
431.04807	2.9
443.31787	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	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05515	10.0
57.07077	5.4
67.01862	1.2
67.05512	7.0
69.07070	11.1
69.37160	6.6
71.04988	5.3
71.08624	1.5
73.06557	6.2
79.05499	3.4
81.07058	15.9
83.01326	1.1
83.04994	5.4
83.08620	5.5
84.47662	0.7
85.02882	0.7
85.06539	4.8
85.10139	0.7
90.32897	0.6
91.05466	2.1
93.07047	8.7
95.04958	1.1
95.08041	1.0
95.08615	12.4
97.06532	0.8
97.10164	3.1
98.21124	3.2
99.08092	0.7
102.86134	0.7
105.07021	1.5
107.08585	3.9
109.10155	8.5
111.08076	1.0
111.11707	1.7
117.06991	1.1
119.08555	2.2
121.06506	2.2
121.10140	3.5
123.11720	5.3
131.08548	0.7
133.06474	1.2
133.10141	1.9
135.08072	1.1
135.11678	1.9
137.05957	1.4
137.09627	0.8
137.13200	1.8
139.07533	4.3
145.10147	0.8
147.08047	0.7
147.11678	1.0
149.05980	4.4
149.09607	1.1
149.13257	2.0
149.48479	0.6
151.07545	10.3
159.08025	1.5
159.11610	1.2
161.06024	2.2
161.09624	1.6
161.13283	1.4
165.09122	2.6
167.07040	100.0
168.07484	0.9
173.09610	1.3
175.07549	3.4
177.09126	2.5
177.16451	1.3
179.07021	3.9
179.18063	1.0
187.11111	0.8
188.08298	1.2
189.09106	5.8
191.07036	1.0
191.10626	1.1
193.08621	3.1
201.09085	5.1
203.10669	2.3
205.08696	4.3
205.12175	1.7
207.10129	6.4
215.10713	2.3
217.12277	1.1
221.11804	0.8
233.11685	0.7
240.32217	0.7
255.13843	0.9
279.30136	0.8
343.26810	0.9
359.25778	2.2
361.04263	0.7
369.24142	1.0
373.27371	0.7
380.23676	0.7
387.25262	5.8
425.30466	2.7
443.31555	12.7
461.32666	11.9
462.32697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3259
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
51.40187	0.8
53.03942	0.8
54.57383	0.8
55.05301	0.8
55.05513	9.0
57.07075	6.3
63.43814	0.8
67.01858	1.3
67.05510	7.3
69.07076	10.8
69.67601	5.3
71.04996	6.1
71.08624	1.3
73.06578	5.5
76.65230	0.9
79.05486	3.2
80.49780	0.8
81.07059	15.9
83.01359	0.9
83.04975	5.8
83.08620	6.2
83.28199	0.7
85.06547	3.9
85.10198	1.0
91.05464	2.8
93.07050	10.3
95.04957	1.5
95.08611	14.0
97.10149	2.6
98.20876	1.7
98.21407	1.0
99.08121	1.0
105.07017	2.7
107.08591	3.5
109.06521	0.8
109.10138	6.5
111.08096	1.7
111.11705	1.4
119.08588	1.0
121.06480	1.4
121.10178	4.7
123.11701	5.9
131.08571	1.1
133.10123	1.3
135.11691	2.0
137.06013	1.2
137.13231	2.4
139.07523	3.5
145.10127	0.9
147.11662	1.7
149.06009	4.5
149.13315	1.4
149.56334	0.8
151.07545	10.3
151.14796	1.0
159.08058	1.4
159.11754	1.5
161.05994	2.5
161.09692	1.5
161.13229	1.1
165.09143	2.5
167.07045	100.0
173.09543	1.0
175.07555	3.3
175.11099	0.9
177.09161	2.3
179.07010	4.9
187.11084	1.0
189.09045	5.7
191.07076	1.5
193.08611	2.1
200.50638	0.9
201.09114	5.1
203.10707	3.5
203.18065	0.9
205.08688	4.1
205.12257	1.5
207.10168	8.7
210.19049	0.8
215.10748	1.8
217.12285	2.7
219.10132	1.0
221.11787	1.1
233.11772	1.4
235.13297	0.8
341.24780	1.3
359.25977	2.0
373.27460	1.4
387.25403	6.7
425.30469	2.9
443.31619	15.6
461.32571	14.3
485.07239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.8
53.07278	2.2
55.01861	6.5
55.05515	30.1
57.03424	7.4
57.07063	3.5
65.03944	4.4
67.05173	4.2
67.05508	73.9
69.03413	6.2
69.07079	22.5
70.70287	3.2
70.70625	5.2
71.04990	3.3
71.74824	2.0
79.05498	65.6
81.03420	75.6
81.07063	76.5
83.04973	12.5
83.08632	22.1
85.06552	3.8
91.05482	58.1
93.07045	60.3
95.04966	33.3
95.08617	27.5
97.06512	10.2
97.10162	10.1
98.21186	3.2
99.08047	3.1
103.05491	2.8
105.07031	38.9
107.04988	16.6
107.08600	31.0
109.06499	4.7
109.10166	7.9
111.08080	10.8
115.05461	4.1
117.07022	13.9
119.08578	25.0
121.06512	12.5
121.10167	16.9
123.08057	3.1
125.09609	6.6
127.07510	3.2
128.06197	3.4
128.67120	2.3
129.07021	14.2
131.04901	3.4
131.08582	26.0
133.06483	3.0
133.10153	17.2
135.08069	5.8
135.11707	10.4
141.06998	5.3
142.07767	3.9
143.08553	7.3
145.06464	8.6
145.10129	6.7
147.08040	7.9
147.11710	9.8
149.09616	8.0
149.13269	23.5
155.08527	4.5
157.06491	2.7
157.10150	12.0
159.08105	3.1
159.11684	15.6
163.11163	3.9
167.06987	2.3
169.10141	3.2
171.08043	3.0
171.11719	2.3
173.13239	2.8
175.11166	9.4
177.12717	7.8
183.11584	2.5
185.13287	3.7
189.11240	3.1
193.12253	28.8
195.11784	3.2
195.13760	5.5
197.13255	3.3
199.14734	3.0
201.12817	2.6
205.12569	2.4
217.15865	2.7
239.78377	2.7
249.14806	4.7
283.90997	2.5
341.24814	3.8
343.22729	3.5
351.23199	8.0
369.24246	22.5
387.25299	11.2
417.26306	8.0
443.28033	21.3
461.28964	100.0
462.29288	5.7
474.10162	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
54.26842	1.8
55.01870	6.7
55.05510	33.9
57.03438	10.3
57.07070	2.0
65.03925	3.9
67.05509	73.5
67.05874	3.7
69.03431	5.0
69.07074	20.0
69.70700	9.0
69.71114	3.0
71.01348	2.2
71.04974	4.8
77.82920	2.0
79.05495	65.5
81.02972	3.0
81.03426	38.9
81.07059	66.6
83.04979	11.7
83.08630	20.3
85.06547	5.0
91.05482	58.9
93.07046	53.6
95.04972	34.9
95.08617	28.7
97.06531	11.4
97.10183	11.7
98.21160	7.1
103.05482	3.5
105.07037	42.3
107.04948	15.6
107.08595	30.3
109.06527	8.0
109.10162	11.6
111.08101	7.9
115.05497	3.5
117.07021	22.2
117.61150	1.7
119.04945	4.6
119.08576	26.7
121.06497	13.9
121.10145	17.4
122.23017	1.8
122.67738	1.8
123.08098	4.3
125.09644	8.0
128.06276	3.7
129.07001	18.3
131.04942	2.6
131.08577	28.9
133.06500	7.1
133.10133	15.4
135.08073	3.0
135.11722	10.3
136.31155	1.8
141.06982	3.6
142.07768	3.1
143.08539	13.4
145.06459	15.6
145.10110	12.6
147.08101	10.7
147.11722	10.3
149.09613	6.9
149.13242	18.1
151.11230	2.3
153.09213	2.0
155.07404	1.8
155.08591	5.9
157.10144	20.1
159.08075	5.2
159.11687	11.5
161.09557	2.6
163.11214	3.0
167.07048	6.0
167.08502	2.9
169.10165	7.6
171.08046	5.0
171.11755	5.2
173.09616	3.7
173.13319	2.5
175.11206	9.8
177.12723	8.8
181.10182	2.1
182.10895	2.3
183.11732	6.3
185.13295	3.2
186.11784	1.9
187.11267	2.6
187.14835	2.4
189.09349	2.3
189.11287	5.4
193.10713	2.7
193.12207	13.8
195.13777	4.2
199.14873	4.1
201.12790	2.9
212.83012	2.1
215.14273	1.9
217.15842	10.2
221.13173	2.6
227.12643	2.3
231.13821	2.5
233.15483	3.0
249.14771	2.7
257.15338	4.6
268.99323	1.8
275.16428	2.5
280.63644	2.0
285.52621	2.2
323.23718	4.0
333.22269	4.3
341.24786	4.2
351.23260	12.7
357.66797	2.0
369.24228	30.4
387.25427	12.7
405.26672	2.7
417.26526	3.3
425.26898	3.0
443.27945	31.7
461.29007	100.0
462.29202	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
53.03944	8.3
55.01862	5.3
55.05515	24.7
57.03425	7.4
57.07067	2.0
58.24018	1.8
65.03928	3.0
67.05508	61.5
69.03423	4.1
69.06777	1.6
69.07079	17.9
69.85796	3.4
69.86199	6.0
71.04974	4.7
79.05061	2.9
79.05496	49.2
81.03425	56.4
81.07059	69.1
83.04989	12.7
83.08624	22.1
85.06547	6.9
91.04967	2.7
91.05488	42.1
93.07053	44.6
95.04974	37.9
95.08607	23.9
97.02899	2.5
97.06547	9.5
97.10157	7.5
98.21237	4.4
99.08117	2.1
104.84330	1.8
105.07030	28.7
107.04971	13.1
107.08607	25.3
109.06503	9.1
109.10162	10.0
111.04398	2.6
111.08069	9.5
115.05423	3.2
117.07008	15.5
119.04942	1.8
119.08602	17.0
121.06510	11.7
121.10155	16.7
123.08035	3.9
123.11748	2.2
125.06026	2.2
125.09637	8.1
128.06210	2.0
129.07010	15.8
131.04918	3.3
131.08574	23.9
133.06465	6.9
133.10144	15.3
135.08066	5.4
135.11691	7.5
141.07030	3.1
142.07770	4.9
143.08580	8.3
145.06528	8.7
145.10129	6.6
147.08038	6.2
147.11690	9.5
149.09605	7.3
149.13255	20.1
151.07549	5.4
155.08537	3.6
156.43768	1.7
157.10150	11.5
159.08060	2.6
159.11697	10.3
161.09624	2.1
161.13260	2.4
163.11154	3.7
165.12753	1.9
167.07045	7.7
169.10182	3.8
171.11694	2.6
175.11189	8.7
175.12552	1.9
177.12746	6.4
185.13300	3.1
189.09117	2.1
189.11240	3.0
193.12238	24.3
195.13815	6.4
199.14810	4.7
201.12747	2.4
205.10361	1.7
217.15939	6.0
217.91960	1.9
227.12724	2.8
229.15872	1.9
231.13832	2.3
249.14919	4.3
257.15289	1.8
275.16406	1.9
333.22278	2.1
343.22543	4.1
347.18857	1.8
351.23062	7.7
369.24240	16.2
387.25339	6.5
417.26270	3.3
443.27899	17.5
461.28900	100.0
462.28839	2.1
471.49686	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	461.2533
Annotation	Preaustinoid A1
Peak:m/z	Relative Intensity
51.13838	3.2
53.03939	6.7
55.01860	14.0
55.05511	37.3
57.03419	5.9
57.07072	8.1
63.68177	3.4
65.03929	4.3
67.05513	69.6
69.03423	7.0
69.07079	21.9
71.04983	12.4
71.57808	4.7
79.05493	72.5
79.06229	4.3
81.03416	32.3
81.07057	100.0
83.01344	8.7
83.04967	13.8
83.08612	24.3
85.02894	6.4
85.06535	8.0
91.05482	70.8
93.07048	79.6
95.04967	41.1
95.08613	53.2
97.06515	16.4
97.10198	6.7
98.21145	3.8
99.04449	8.1
100.25466	3.7
103.05453	3.9
105.04503	4.7
105.07034	67.2
107.04955	13.4
107.08598	35.4
109.06511	19.1
109.10159	18.2
111.04406	5.6
111.08054	7.2
115.00807	3.5
117.07043	22.8
119.08596	39.1
119.32933	4.6
121.06483	17.0
121.10134	22.0
123.04466	5.0
123.08044	10.2
123.11761	6.7
125.05984	12.6
125.09608	7.7
127.03915	5.2
128.06212	4.5
129.07016	18.6
131.08556	38.8
133.06445	7.3
133.10141	36.2
135.08025	8.8
135.11665	15.9
137.05957	8.8
141.07056	4.2
142.07776	6.5
143.08568	15.2
145.06477	8.2
145.10121	16.2
147.08040	11.2
147.11693	17.6
149.09636	12.5
149.13266	19.4
151.03883	6.2
151.07562	9.8
151.11066	4.9
153.05478	49.1
155.07036	13.3
155.08591	7.8
157.10130	13.6
159.08017	4.6
159.11710	16.6
161.09612	9.8
161.13235	6.9
163.11269	4.3
163.14824	5.1
166.44063	4.0
167.07016	32.2
169.04968	5.4
169.08716	4.1
169.10080	7.6
171.11699	9.0
173.09862	4.9
173.13188	5.6
175.07622	4.5
175.11168	6.4
177.12770	6.2
179.03471	7.2
181.04942	33.3
185.09697	4.3
185.13293	4.1
187.06024	3.7
191.07005	4.8
193.12196	13.6
195.06384	4.0
195.13882	5.8
197.04373	3.6
197.13254	8.4
203.14392	4.3
205.08537	4.5
207.06546	5.5
217.15871	5.2
231.10048	3.9
231.13773	4.6
260.52246	3.6
271.16843	3.9
307.37286	4.3
315.35712	3.5
341.24692	6.5
351.23483	5.9
369.24313	14.1
387.25177	10.0
417.26065	3.7
425.22906	5.6
443.27780	14.3
461.28943	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.0
53.03949	11.2
55.01870	6.6
55.05516	32.8
57.03439	14.9
57.07066	3.5
65.03941	4.0
67.05511	100.0
67.75901	1.8
69.03415	5.0
69.07076	24.8
70.57703	5.8
71.01369	2.1
71.04976	6.7
74.88527	1.7
79.05500	98.3
81.02977	3.2
81.03423	46.3
81.07063	79.3
83.04991	15.1
83.08629	20.8
85.06538	6.9
91.05489	72.4
91.06078	2.9
93.07050	88.7
95.04431	2.8
95.04974	30.7
95.08050	3.0
95.08612	49.2
97.02871	2.6
97.06527	15.1
97.10170	12.9
99.04478	2.3
99.08073	2.6
103.05414	2.8
105.04514	2.9
105.06383	3.2
105.07037	43.5
107.04959	13.8
107.08606	47.3
109.06525	8.0
109.10157	16.7
111.08076	7.9
113.09666	2.2
115.05526	2.4
117.07024	17.1
119.08586	29.5
120.26331	1.7
121.06486	10.4
121.10159	24.9
123.08064	5.6
123.11687	2.6
125.06001	4.1
125.09602	6.1
127.07532	2.9
128.06224	4.3
129.07021	16.2
131.08572	16.7
133.06523	3.1
133.10146	17.6
135.08047	4.1
135.11699	36.0
137.09567	3.2
139.07561	3.5
141.06982	2.5
141.09219	1.5
143.08569	12.3
145.06505	3.8
145.10124	16.5
147.08034	8.9
147.11696	27.4
149.09602	3.6
149.13280	16.7
150.40520	1.9
153.05435	2.8
153.12735	1.8
155.08536	3.6
157.10129	5.7
159.08096	1.9
159.11703	10.4
161.09615	3.7
161.13242	8.8
163.07602	2.0
163.11165	9.1
163.14824	2.2
165.09006	2.7
167.07082	10.7
169.08600	1.9
169.10133	4.0
171.11702	19.4
173.09563	2.0
173.13174	3.3
175.11153	6.0
175.14807	2.4
177.12718	4.9
179.14314	2.6
181.12311	4.0
183.11673	4.0
185.62718	1.9
187.14673	2.7
189.12730	7.4
193.12244	12.4
195.06567	2.7
195.13846	2.8
201.12547	1.8
205.12195	2.6
207.13855	23.8
217.15865	2.7
225.14864	3.9
273.14890	1.8
334.30936	5.5
343.22653	2.5
351.23206	4.3
369.24127	7.2
373.23764	2.5
387.25171	6.6
392.52231	1.8
417.26230	3.5
425.26785	5.9
443.27460	12.0
443.36459	2.1
461.15439	2.8
461.28851	92.0
461.37906	11.0
462.28851	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	461.1443
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03927	0.3
55.01847	0.3
55.05516	1.2
55.05766	0.2
57.03410	0.2
57.07050	0.2
65.03912	0.2
67.05508	2.1
69.03400	0.3
69.07069	0.7
77.97442	0.1
79.05493	2.3
81.03422	2.2
81.07058	3.0
83.04944	0.5
83.08625	1.0
85.06518	0.4
91.04985	0.2
91.05481	2.3
92.83591	0.1
93.06490	0.1
93.07043	2.4
95.04466	0.1
95.04974	1.4
95.08609	1.5
95.96358	0.2
97.06485	0.4
97.10119	0.4
98.20799	0.4
98.21467	0.3
105.07018	1.7
107.04919	0.6
107.08597	1.3
109.06480	0.5
109.10109	0.5
111.08018	0.4
117.07033	0.8
119.04897	0.5
119.08596	1.1
121.02827	0.5
121.06523	0.7
121.10111	0.6
123.08020	0.5
123.11705	0.2
125.09592	0.4
125.85868	0.1
129.07019	0.8
131.08546	1.3
133.06482	0.4
133.10071	0.5
135.07988	0.4
135.11667	0.3
137.09592	0.3
141.06960	0.3
143.08525	0.5
145.06535	0.8
145.10109	0.5
147.04379	0.3
147.08011	0.4
147.11681	0.4
149.09589	0.4
149.13292	0.7
151.07524	1.1
153.01808	0.4
155.08517	0.3
157.10083	0.5
159.08044	0.2
159.11647	0.4
161.09566	0.3
163.11208	0.2
166.02580	0.3
167.07060	0.8
167.08269	0.1
169.10178	0.2
171.11751	0.2
175.11174	0.4
177.12775	0.3
179.01363	0.1
181.05005	0.9
183.11717	0.3
185.13327	0.2
189.09151	0.2
189.11093	0.2
191.10797	0.2
193.12233	1.3
195.13812	0.2
195.56737	0.2
197.13330	0.2
205.12155	0.2
217.15927	0.2
219.13860	0.1
227.06905	0.3
228.07878	0.2
229.04977	0.4
241.55142	0.2
249.14774	0.2
255.06529	0.8
256.07321	1.7
266.05933	0.1
267.06512	0.6
283.02881	0.3
283.06015	5.5
284.06778	13.2
285.07117	0.4
297.07660	0.5
299.09137	100.0
300.09494	2.0
351.23184	0.6
369.24237	0.9
387.25156	0.6
405.26093	0.2
407.25674	0.2
417.25983	0.2
443.27533	1.1
461.14465	7.3
461.28735	5.2
462.14636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1445
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.57666	0.1
53.03934	0.1
55.05522	0.1
55.72752	0.1
57.03436	0.1
57.12016	0.1
61.69992	0.1
62.10535	0.1
63.11013	0.1
67.05492	0.3
68.77232	0.1
69.03439	0.2
69.07053	0.2
70.01857	0.2
70.02276	0.4
74.84147	0.1
79.05482	0.2
81.03411	0.4
81.07059	0.3
83.01358	0.3
83.05000	0.1
85.02881	0.3
85.67523	0.1
91.05479	0.6
92.55173	0.1
93.07032	0.2
93.68240	0.1
94.46654	0.1
95.04953	0.1
95.08601	0.2
97.02895	0.2
98.21133	0.2
105.07019	0.1
107.04932	0.3
107.08589	0.2
109.06532	0.1
109.10155	0.1
119.04945	1.6
121.02888	0.6
123.08038	0.1
123.11738	0.1
125.09677	0.1
127.03897	0.2
133.10103	0.1
135.04430	0.3
137.05972	0.3
140.26231	0.1
143.08607	0.1
145.02856	0.3
145.10104	0.1
147.04451	0.2
151.03986	0.2
151.07527	0.6
153.01871	0.2
163.03903	0.3
165.09134	0.1
167.07068	0.2
177.09132	0.1
179.03401	0.4
181.04967	3.7
197.04367	0.2
197.05997	0.2
197.11656	0.1
253.08559	0.2
257.08035	0.1
258.59030	0.1
271.09668	0.2
283.06082	0.2
284.06793	0.8
297.07660	1.8
298.08096	0.1
299.09146	100.0
300.09497	2.2
332.26929	0.1
336.13885	0.1
461.14478	0.2
461.27969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50255	0.1
55.01858	0.2
55.05485	0.5
57.03423	0.2
57.07078	0.2
58.35977	0.1
59.04967	0.1
65.15919	0.1
67.05503	0.9
69.03413	0.5
69.07039	0.4
69.15528	0.1
69.39788	0.7
69.40190	0.3
71.04961	0.2
71.18555	0.1
75.95674	0.1
79.05489	0.8
81.03435	0.6
81.07057	0.8
81.41953	0.1
83.01319	0.4
83.04958	0.4
85.02886	0.3
85.06522	0.4
91.05482	0.8
93.07050	0.8
95.04941	0.5
95.08614	1.0
97.02872	0.3
97.06507	0.2
97.10139	0.2
98.20824	0.3
98.21495	0.3
105.07034	0.6
107.04926	0.4
107.08591	0.5
109.02860	0.3
109.06498	0.3
109.10140	0.5
115.05480	0.1
119.04950	1.5
119.08549	0.4
121.02860	0.7
121.06489	0.3
121.10118	0.4
123.08044	0.4
123.11684	0.3
125.06015	0.1
125.09617	0.3
127.03919	0.2
129.06944	0.1
131.04878	0.2
131.08559	0.3
133.10112	0.3
134.38852	0.1
135.04396	0.3
135.08006	0.1
135.11606	0.3
137.05957	0.2
137.09592	0.3
139.11237	0.1
143.08490	0.2
145.02832	0.4
145.06470	0.2
145.10057	0.3
147.04384	0.4
147.08015	0.1
147.11708	0.2
149.09596	0.3
151.06403	0.2
151.07544	2.4
153.01851	0.3
153.05496	0.2
153.12732	0.1
157.10181	0.3
159.11678	0.1
161.09528	0.2
163.03903	0.3
163.07523	0.2
163.11104	0.2
165.09074	0.3
167.07056	0.8
167.10683	0.2
172.03139	0.1
177.05261	0.1
177.09047	0.1
179.03410	0.4
179.10745	0.2
181.04955	3.9
187.07458	0.2
191.10638	0.5
195.10127	0.2
196.10519	0.3
207.10201	0.1
215.10645	0.1
217.12325	0.1
253.08578	0.3
256.07260	0.3
257.07864	0.2
271.09735	0.3
283.06003	0.2
284.06723	1.5
297.07596	1.6
298.08118	0.2
299.09131	100.0
300.09470	2.2
461.14441	6.5
461.21060	0.2
461.28409	0.5
462.14633	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	459.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96604	3.3
55.05511	10.7
57.07058	4.2
61.17169	2.4
67.05499	23.3
69.07071	23.6
71.56496	4.0
79.05490	8.7
81.07065	48.5
81.29690	2.9
83.08614	11.8
91.05472	8.4
91.64762	3.0
93.07030	27.3
95.08609	100.0
97.10175	5.5
98.21126	3.3
105.07017	15.2
107.08587	34.3
109.10155	78.1
111.11718	9.1
119.08582	12.1
121.10142	30.8
123.11712	36.8
133.10130	12.6
135.11714	18.3
137.13315	6.4
147.11662	6.8
149.09590	3.0
149.13268	31.9
151.07564	6.7
161.13272	3.3
163.14775	22.1
175.14857	13.9
177.16376	6.5
179.06985	16.1
189.16377	3.3
191.17963	4.1
205.19484	18.9
217.19627	3.4
219.21040	25.9
221.15398	22.8
235.16826	4.5
240.79172	3.0
412.51691	3.0
441.37045	12.9
459.22333	4.0
459.32278	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64853	0.3
53.03955	1.0
55.05511	0.5
56.05881	0.2
57.03446	0.3
58.96704	0.2
60.34217	0.2
65.03938	1.7
67.05504	0.3
69.03435	1.8
69.07066	0.4
71.04990	0.5
71.29787	0.2
73.06568	1.1
79.05505	0.2
81.03413	4.6
81.07054	0.6
83.04980	1.0
85.02908	2.0
95.04967	2.1
95.08612	0.3
97.02889	3.0
98.20959	0.3
99.04450	0.6
104.04997	0.9
105.07023	0.6
107.08611	1.1
108.08938	0.4
109.02889	2.3
109.10158	0.6
111.04447	1.2
119.08618	0.3
121.02869	57.2
121.03880	1.8
121.10138	0.3
122.03219	0.6
122.06041	0.5
127.03918	1.5
132.04443	6.1
134.10493	0.3
135.11697	0.4
139.03902	3.9
145.04970	0.6
153.01833	0.8
159.11681	0.3
162.10088	0.3
165.09085	0.3
175.14806	0.3
178.04994	100.0
179.05370	1.2
179.10675	0.5
181.01231	0.2
197.11768	1.4
198.12007	1.2
265.07059	5.0
283.08127	1.7
294.42023	0.3
340.10336	0.5
370.60086	0.2
380.17398	0.2
460.11978	0.4
460.27692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.2
55.01875	7.9
55.05513	5.3
57.03434	7.7
57.07079	2.7
59.04993	1.0
60.04535	1.4
61.02921	5.0
61.80267	1.2
62.59286	1.1
65.03935	1.2
67.05489	6.8
68.99776	3.1
69.03072	1.9
69.03434	31.9
69.07083	3.0
69.34976	5.5
69.35400	4.5
71.05013	5.6
73.02924	8.4
79.05495	7.5
80.05836	1.2
81.03424	36.8
81.07075	6.0
81.07462	1.0
82.03754	2.0
82.07358	1.9
82.35196	1.1
83.01366	1.4
83.04972	4.4
83.08614	2.9
84.04544	1.9
84.05244	1.3
85.02910	76.6
85.06525	1.4
87.00834	30.1
87.04420	1.3
91.03963	1.8
91.05484	7.7
92.05782	1.6
93.03416	1.3
93.07047	5.1
94.07423	1.5
95.04990	5.3
95.08614	3.7
96.08959	1.4
97.02901	32.4
97.06530	1.3
97.67179	1.1
98.06082	1.6
98.20944	4.9
99.04461	16.7
99.39159	1.3
101.02468	1.1
103.05463	4.8
105.01869	28.1
105.07054	7.9
106.07370	1.5
107.04970	11.1
107.08588	4.6
108.04492	10.0
108.05177	1.7
108.08968	1.5
109.02884	31.8
109.06492	2.5
109.10159	2.3
115.03941	1.5
115.05434	2.0
117.01874	2.2
117.07031	1.2
119.04944	2.4
119.08604	3.8
120.08971	1.5
121.06490	3.8
121.10134	2.6
123.08099	1.4
123.11710	2.0
126.05529	5.3
126.10023	1.0
127.03922	57.3
128.04231	1.4
129.01837	3.0
129.06985	1.4
130.45998	1.0
131.04907	2.1
131.08566	2.9
132.08913	1.3
133.06520	2.1
133.10146	3.5
135.08069	7.9
137.05963	1.8
139.03918	4.0
139.96623	1.1
145.04965	24.5
145.06252	2.2
145.06465	2.0
145.10152	1.4
147.02895	2.2
147.04404	3.9
147.08064	2.5
148.11966	1.2
149.02296	2.1
149.09708	1.5
150.09975	1.2
151.07562	3.0
152.07069	1.7
153.01828	1.4
154.06259	28.8
157.10127	1.8
159.02908	17.1
161.09663	2.4
163.07564	26.9
165.05522	1.6
165.09119	5.2
166.09422	2.6
167.07100	5.4
172.85828	1.1
176.11499	1.5
176.75446	1.1
180.07814	1.8
181.05022	3.1
189.03929	1.2
190.93542	1.2
193.12253	5.2
194.12567	1.5
195.10179	100.0
196.10506	1.8
207.10074	1.2
213.03896	3.0
213.11163	5.4
214.11554	4.9
217.62424	1.1
230.06548	3.0
231.05029	10.8
245.15479	1.3
248.07693	4.9
249.05891	1.4
255.86725	1.1
266.83484	1.1
274.15173	1.7
297.07733	1.2
299.09161	53.3
303.11963	1.2
350.21820	1.2
367.22314	1.2
368.23065	4.5
386.23990	5.3
460.27701	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	459.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72173	0.6
55.05519	3.7
57.07065	1.3
67.05510	6.2
69.07067	2.6
69.53569	1.2
69.53883	4.8
71.08632	1.0
79.05481	2.6
81.03404	0.8
81.07066	6.1
83.05005	1.2
83.08611	1.8
91.05482	2.4
93.07044	4.4
95.04954	0.7
95.08629	6.4
97.10174	1.6
98.20843	1.4
98.21452	1.3
105.07041	3.0
107.08600	4.4
109.10159	6.6
117.07043	0.6
119.08601	4.8
121.06506	1.2
121.10167	3.4
122.07282	1.9
123.08069	0.8
123.11706	1.9
125.09651	1.4
131.08589	1.5
133.10136	1.3
135.11705	2.4
137.09621	12.6
137.13240	0.7
145.10094	1.7
147.11717	1.5
149.09615	1.3
149.13193	3.0
151.07549	2.4
159.11682	0.9
161.13239	1.2
163.14836	0.9
165.09123	100.0
166.09470	2.7
167.07072	1.6
177.09270	0.7
177.16479	0.6
189.16342	1.0
191.10638	1.1
203.17964	0.7
205.12236	0.8
225.18501	1.1
289.25262	2.4
290.26166	0.6
307.26382	1.2
335.44080	0.6
364.85751	0.7
441.33353	2.5
459.30832	0.9
459.39139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Longispinogenin
Peak:m/z	Relative Intensity
53.03938	2.4
55.01876	1.4
55.05515	6.0
56.17397	1.0
57.07079	4.1
57.79065	0.9
67.05515	9.2
68.43678	0.9
69.03425	1.4
69.07072	13.6
70.54808	1.0
71.04994	1.2
79.05497	6.2
79.20239	1.0
81.03413	1.4
81.07065	18.4
83.05001	2.0
83.08637	6.7
85.06548	1.2
91.05478	6.8
93.07056	19.8
95.04984	1.6
95.08611	31.2
97.06537	3.0
97.10159	1.1
98.20975	5.7
99.08084	5.9
101.06015	2.3
105.07037	9.2
107.08605	23.6
109.06540	2.0
109.10159	11.8
111.08095	2.7
111.11716	8.2
112.02193	1.0
117.07025	2.2
119.08574	12.6
121.06504	1.8
121.10154	22.3
123.08088	2.7
123.11726	10.6
125.09675	1.8
127.44102	1.3
131.08583	4.0
133.10147	12.2
135.11699	12.1
137.09633	1.6
137.13266	2.1
139.11206	1.7
141.05466	1.0
143.08620	2.2
145.10144	8.2
147.11710	10.0
149.13289	13.2
151.07585	1.4
157.10156	1.4
159.11711	12.0
161.13257	6.1
163.03709	10.9
163.14856	3.8
167.07040	7.5
167.14342	7.0
171.11760	3.8
173.09721	1.0
173.13240	5.2
175.11330	1.4
175.14879	4.4
177.16394	9.0
181.04961	1.5
183.11697	1.7
185.13327	1.9
187.14890	8.4
189.16350	2.8
191.17967	2.3
195.17453	10.7
199.14813	2.0
200.29533	1.1
201.16394	15.9
203.17972	15.8
213.16422	3.0
215.18045	4.8
217.19658	1.6
223.16905	2.3
227.18031	2.7
229.19478	3.4
233.19020	3.0
241.19617	1.9
251.20094	25.1
253.19537	1.8
267.21106	1.0
281.22678	1.2
283.24240	6.9
291.32986	0.9
319.26105	22.1
385.23843	1.4
405.35129	3.2
423.36240	68.2
424.36667	2.0
441.31186	2.2
441.37396	15.6
459.30899	100.0
459.38202	11.3
460.31400	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28881	0.5
55.05501	2.3
57.07072	1.1
63.51979	0.5
67.05170	0.7
67.05506	9.0
69.07070	2.2
69.92355	1.4
69.92746	1.3
74.06142	0.6
79.05491	3.5
81.03424	0.6
81.07060	7.7
83.08625	1.2
91.05492	1.9
93.07052	3.3
95.08612	7.0
97.02908	0.8
97.06514	0.8
97.10200	0.9
98.20842	0.9
98.21468	1.1
105.07037	1.8
107.08586	2.3
109.06565	0.7
109.10162	2.8
119.08574	1.1
121.10154	2.3
123.11726	1.8
125.05994	0.9
130.76758	0.5
130.88237	0.5
133.10168	1.2
135.11707	1.1
137.05983	1.9
147.11679	0.6
149.13193	0.6
151.07497	0.6
155.07040	11.3
161.13219	0.6
163.14877	0.6
167.07130	1.0
179.03423	1.5
179.07079	1.4
181.04968	100.0
182.05325	0.8
197.08069	2.5
245.22826	0.7
263.23758	2.2
285.66638	0.6
300.61194	0.6
441.29895	6.1
459.21832	1.1
459.31033	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.3
53.03941	5.1
53.73084	2.2
55.01860	3.2
55.05513	28.4
55.49554	2.8
57.07060	7.5
58.45253	2.1
62.79775	2.3
64.46192	2.4
65.03947	4.1
67.05169	3.8
67.05505	50.7
69.06717	3.0
69.07073	43.0
71.08607	2.7
71.57980	3.8
79.05495	33.8
81.03416	3.4
81.07059	100.0
83.04980	9.4
83.08618	20.3
85.06516	4.3
89.28844	2.1
91.05466	20.5
93.07042	45.7
95.04966	6.8
95.08609	93.0
97.06530	5.0
97.10177	11.5
105.07042	22.4
107.04944	6.4
107.08595	38.6
109.06528	11.3
109.10161	57.6
111.08067	6.9
111.11709	5.7
117.07018	3.1
119.08588	22.8
121.06496	10.4
121.10148	26.8
123.04488	2.7
123.08049	9.4
123.11711	21.9
125.05992	3.1
125.09650	3.9
127.07629	3.5
129.06984	4.6
131.08556	14.0
133.06427	2.3
133.10124	15.9
135.08060	10.9
135.11685	22.7
137.05972	15.7
137.09621	12.1
137.13239	12.0
139.07549	35.7
139.11182	3.8
141.12770	2.3
143.08556	3.8
145.06496	3.6
145.10121	10.6
147.08070	6.4
147.11674	16.9
147.47278	2.4
149.05983	4.6
149.09622	10.7
149.13258	14.8
151.07529	25.4
151.11186	3.8
151.14775	4.0
153.09082	4.0
157.10109	7.7
159.08038	5.0
159.11691	9.9
161.09634	8.7
161.13220	8.2
163.07518	7.6
163.11186	5.9
163.14764	7.0
165.05479	9.4
165.09113	56.6
165.12782	4.9
167.07056	48.3
169.10089	3.6
171.11710	4.1
173.09619	6.3
173.13330	5.0
175.07549	7.8
175.11182	3.1
175.14822	4.2
177.09120	35.6
177.16360	4.6
179.07072	7.3
179.10703	3.9
181.08582	8.1
183.11678	3.2
185.13243	4.9
186.10414	3.2
187.11136	3.9
187.14804	4.0
189.09140	14.6
189.12662	4.6
189.16397	3.4
191.10649	8.1
191.14308	3.3
191.18015	4.1
193.08598	10.5
193.12218	3.4
199.11205	3.5
201.12738	4.8
202.09862	3.1
203.10667	17.8
203.17978	3.2
205.08498	3.8
205.12222	7.6
207.10129	2.5
215.10649	2.9
217.12239	5.4
219.13820	4.6
221.11693	2.6
229.12219	6.6
231.13994	3.4
235.13297	4.4
243.13884	4.0
245.15285	3.1
247.13307	2.6
261.25665	2.9
271.16849	2.9
285.25812	3.2
303.26669	5.7
367.22751	4.7
381.31580	3.0
395.33231	3.7
399.32581	2.6
413.34262	4.7
417.33871	3.2
423.32336	12.6
441.33871	28.6
459.27505	7.2
459.34818	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	1.4
55.05508	5.9
57.03432	1.3
57.07070	0.9
59.04981	0.6
61.02914	1.0
67.05506	5.7
69.03439	4.2
69.07072	1.4
71.04998	0.8
73.02908	0.4
73.06553	4.8
77.03889	0.4
77.09105	0.4
79.05067	0.4
79.05492	5.4
81.03424	6.6
81.07050	6.0
83.04980	4.5
83.08641	2.4
83.09085	0.5
85.02426	0.5
85.02908	6.8
85.06535	1.1
91.05484	5.5
93.07044	7.1
95.04969	2.3
95.08607	4.0
97.02912	4.0
97.06539	0.7
97.10177	2.4
99.04425	1.0
101.05999	0.7
103.05434	0.5
105.07036	7.9
107.04968	2.0
107.08597	27.4
109.02881	2.0
109.06519	1.5
109.10163	3.2
111.04453	0.4
111.08083	0.7
115.05496	0.6
117.07001	1.6
119.04991	0.8
119.05943	0.4
119.08573	6.2
121.06528	2.6
121.10144	6.5
122.23291	0.5
123.08054	1.7
123.11713	1.8
125.06000	0.6
125.09608	2.2
127.03924	3.8
128.06238	0.4
129.07002	1.2
131.04927	1.1
131.08614	2.8
133.06482	1.3
133.10132	15.2
134.10449	0.4
135.04413	0.6
135.08070	1.7
135.11693	0.9
137.05960	1.4
137.09628	1.6
139.07526	1.0
141.06979	0.7
143.08575	1.6
145.05002	1.2
145.06479	3.0
145.10112	1.6
147.07970	2.0
147.11691	1.9
149.09630	4.8
149.13246	0.6
151.07552	4.5
151.11177	6.8
153.01888	0.6
153.09064	0.5
157.06439	0.9
157.10202	0.8
159.08032	0.9
159.11679	0.7
161.06017	0.6
161.09619	6.0
161.13306	0.4
162.52499	0.4
163.07594	0.6
163.11258	0.5
165.09169	3.0
167.07025	1.4
167.08482	0.6
167.10684	9.6
173.13158	0.5
175.07576	0.6
175.11180	0.7
175.14728	0.4
177.09134	1.2
179.10678	13.3
180.11037	0.4
181.04984	0.6
185.09650	0.5
185.13234	0.6
189.09189	0.6
189.11256	1.3
189.12762	0.6
191.10638	1.1
193.12299	2.2
195.10164	0.6
195.11780	0.6
197.11737	100.0
198.12068	1.2
203.14278	0.5
205.12331	0.6
213.11157	2.9
217.12273	0.4
227.09140	0.5
245.08089	0.5
245.10426	0.6
247.11497	0.5
255.13866	0.8
273.14728	1.9
275.16516	0.5
339.23346	0.5
340.02020	0.4
349.21625	1.6
359.13071	0.7
359.17053	7.3
367.22681	4.6
385.23599	3.8
403.24786	1.1
441.26047	0.7
459.16324	0.8
459.21976	4.5
459.27423	10.1
460.27658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00714	1.3
53.03952	7.4
55.01886	6.5
55.05261	1.9
55.05513	25.2
57.03426	5.5
65.03922	2.1
67.05172	2.3
67.05506	36.4
69.03406	3.8
69.07067	7.6
70.10426	5.4
70.10815	2.6
71.04967	2.3
71.83746	1.2
79.05058	2.2
79.05502	39.3
81.03422	81.7
81.07063	29.0
81.47169	1.5
83.04980	10.9
83.08617	16.9
85.06548	2.8
91.05482	43.1
93.07048	25.2
95.04974	27.6
95.08605	14.9
95.44544	1.2
97.02879	1.7
97.06528	3.6
97.10171	11.4
98.21091	3.0
103.05437	1.5
105.07037	28.2
107.04950	18.8
107.08596	12.5
109.06510	5.5
109.10180	7.3
111.04482	2.6
111.08076	8.3
112.75190	1.4
115.05450	3.7
117.07026	12.0
119.04906	1.8
119.08585	20.5
119.56274	1.4
121.06518	10.4
121.10153	7.9
123.04420	2.3
123.08067	7.2
125.05912	1.3
125.09623	9.5
128.06224	3.0
129.07005	19.3
131.04897	4.2
131.08575	15.0
133.06528	7.4
133.10120	10.9
135.08038	4.0
135.11723	2.6
137.09593	2.5
141.06992	4.0
142.07805	3.1
143.08556	6.1
145.06496	16.6
145.10155	7.8
147.08067	5.9
147.11705	11.3
149.09602	6.2
151.07559	5.6
153.09103	3.3
155.08546	5.8
157.06497	3.9
157.10139	14.3
159.08052	4.7
159.11632	2.6
161.05988	4.3
161.09622	3.3
163.11147	2.1
165.09190	2.0
165.12781	2.9
167.07077	2.0
169.06497	1.9
169.10176	2.7
171.08061	5.8
171.11655	3.3
173.09673	3.1
173.13277	2.4
175.11220	12.5
181.10075	2.7
183.08110	2.5
185.09605	3.8
185.13339	2.8
187.14838	1.9
189.09497	1.6
189.11252	5.8
189.12758	2.2
191.10744	2.3
193.12257	40.6
195.11746	3.1
197.13327	2.6
199.11246	1.7
211.11366	1.9
211.13309	2.0
213.12875	2.7
215.14319	4.3
221.13321	2.0
225.12799	1.5
227.14507	1.8
231.13817	2.5
233.15366	2.4
233.75645	1.4
237.12683	3.3
243.13898	1.8
245.15451	2.2
249.14908	5.3
255.13893	4.9
273.14911	12.7
287.16571	2.5
311.16400	1.5
321.22330	1.8
339.23291	4.0
341.21274	1.6
349.21683	12.2
357.24152	4.7
367.22675	33.5
385.23782	32.0
403.24896	10.1
441.26428	5.7
459.27423	100.0
460.27570	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	1.4
55.05508	5.9
57.03432	1.3
57.07070	0.9
59.04981	0.6
61.02914	1.0
67.05506	5.7
69.03439	4.2
69.07072	1.4
71.04998	0.8
73.02908	0.4
73.06553	4.8
77.03889	0.4
77.09105	0.4
79.05067	0.4
79.05492	5.4
81.03424	6.6
81.07050	6.0
83.04980	4.5
83.08641	2.4
83.09085	0.5
85.02426	0.5
85.02908	6.8
85.06535	1.1
91.05484	5.5
93.07044	7.1
95.04969	2.3
95.08607	4.0
97.02912	4.0
97.06539	0.7
97.10177	2.4
99.04425	1.0
101.05999	0.7
103.05434	0.5
105.07036	7.9
107.04968	2.0
107.08597	27.4
109.02881	2.0
109.06519	1.5
109.10163	3.2
111.04453	0.4
111.08083	0.7
115.05496	0.6
117.07001	1.6
119.04991	0.8
119.05943	0.4
119.08573	6.2
121.06528	2.6
121.10144	6.5
122.23291	0.5
123.08054	1.7
123.11713	1.8
125.06000	0.6
125.09608	2.2
127.03924	3.8
128.06238	0.4
129.07002	1.2
131.04927	1.1
131.08614	2.8
133.06482	1.3
133.10132	15.2
134.10449	0.4
135.04413	0.6
135.08070	1.7
135.11693	0.9
137.05960	1.4
137.09628	1.6
139.07526	1.0
141.06979	0.7
143.08575	1.6
145.05002	1.2
145.06479	3.0
145.10112	1.6
147.07970	2.0
147.11691	1.9
149.09630	4.8
149.13246	0.6
151.07552	4.5
151.11177	6.8
153.01888	0.6
153.09064	0.5
157.06439	0.9
157.10202	0.8
159.08032	0.9
159.11679	0.7
161.06017	0.6
161.09619	6.0
161.13306	0.4
162.52499	0.4
163.07594	0.6
163.11258	0.5
165.09169	3.0
167.07025	1.4
167.08482	0.6
167.10684	9.6
173.13158	0.5
175.07576	0.6
175.11180	0.7
175.14728	0.4
177.09134	1.2
179.10678	13.3
180.11037	0.4
181.04984	0.6
185.09650	0.5
185.13234	0.6
189.09189	0.6
189.11256	1.3
189.12762	0.6
191.10638	1.1
193.12299	2.2
195.10164	0.6
195.11780	0.6
197.11737	100.0
198.12068	1.2
203.14278	0.5
205.12331	0.6
213.11157	2.9
217.12273	0.4
227.09140	0.5
245.08089	0.5
245.10426	0.6
247.11497	0.5
255.13866	0.8
273.14728	1.9
275.16516	0.5
339.23346	0.5
340.02020	0.4
349.21625	1.6
359.13071	0.7
359.17053	7.3
367.22681	4.6
385.23599	3.8
403.24786	1.1
441.26047	0.7
459.16324	0.8
459.21976	4.5
459.27423	10.1
460.27658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
53.03946	2.7
53.18261	2.6
55.05516	15.8
57.07066	7.9
65.03920	2.9
67.05157	3.9
67.05502	29.1
69.07071	18.6
70.18117	12.5
71.04961	2.6
77.59650	2.5
79.05492	21.0
81.07055	52.5
83.04978	3.8
83.08611	16.2
84.02060	2.7
85.06556	4.0
87.89431	3.4
91.05458	19.3
93.07037	43.4
95.04925	3.2
95.08609	100.0
97.06472	3.8
97.10146	6.1
98.21111	7.4
99.08036	3.9
105.07027	34.6
107.04980	4.8
107.08601	73.7
107.83382	2.7
109.06500	5.5
109.10160	68.1
111.08050	3.2
119.08589	64.8
119.46833	2.8
121.10140	61.2
123.08048	7.0
123.11720	28.5
125.09638	3.4
125.31752	3.4
131.08554	13.3
133.10130	62.4
135.08049	6.5
135.11696	49.0
137.09593	3.6
137.13249	11.7
139.07578	4.1
139.11076	3.2
142.62407	2.9
145.10106	15.8
147.11699	41.4
149.09624	3.7
149.13260	30.0
153.09116	7.3
157.10173	5.8
159.11696	11.9
161.13261	27.2
163.11185	3.4
163.13570	3.8
163.14833	37.4
167.10681	3.3
171.11676	4.2
173.13271	10.8
175.14848	23.8
177.16408	17.1
179.10648	3.2
179.14342	3.3
185.13211	7.4
187.14821	16.7
189.16385	92.9
190.16681	5.1
191.17950	76.1
193.15866	3.7
199.14854	4.3
201.16374	15.7
203.17952	95.1
205.19528	11.9
207.11615	2.9
207.17456	7.0
213.16339	5.8
215.17958	12.1
217.15854	3.3
217.19456	16.9
221.18982	5.1
227.18002	4.6
229.19548	7.4
231.17400	4.6
231.21024	17.0
233.19040	3.4
235.16959	14.5
241.19598	3.2
247.16965	7.9
249.18484	27.4
255.21075	3.4
257.22675	6.4
258.97455	3.0
259.16980	4.5
261.18573	6.7
275.20016	5.9
286.03723	3.1
353.39856	3.3
393.35263	14.4
411.31409	3.7
411.36322	52.9
439.36298	38.3
457.37433	58.1
461.94516	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	457.3677
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
55.01855	2.6
55.05510	19.4
57.07069	6.1
59.04947	2.6
59.68671	2.4
65.93291	2.1
67.05504	25.0
69.07066	21.6
70.76878	2.9
70.77225	4.9
71.04987	2.8
79.05500	16.0
81.07065	49.7
81.84382	2.5
83.08620	11.7
85.06522	3.7
87.90928	2.0
91.05483	13.1
93.07051	36.7
95.04980	6.0
95.08608	100.0
97.06525	4.5
97.10173	5.9
98.20972	3.6
99.08119	2.2
105.07042	33.7
107.08599	63.1
107.42081	2.6
109.06524	5.2
109.09443	4.4
109.10160	59.8
111.08084	5.6
117.07024	5.2
119.07782	4.6
119.08591	62.9
121.10146	61.3
123.08043	4.2
123.11710	26.9
131.08592	11.4
133.10130	47.4
135.08060	4.3
135.11693	50.8
137.09621	3.2
137.13258	10.7
139.11101	2.2
143.08585	5.8
145.10104	17.1
147.11693	36.4
149.13277	22.2
151.07532	3.8
151.11201	3.9
151.14880	2.8
153.01845	2.8
153.09099	7.6
157.10097	5.2
159.11685	12.4
161.13272	25.2
163.14810	38.0
165.09224	3.6
167.10672	4.1
171.11740	5.2
173.13274	10.8
175.14841	19.6
177.16425	19.6
179.10744	2.8
179.17926	2.4
185.13293	5.2
187.14847	12.9
189.09059	2.3
189.16394	75.8
191.17946	66.0
191.19579	4.2
193.15895	2.6
199.14865	5.9
201.16434	15.7
203.17963	80.3
205.19516	9.4
207.13756	4.4
207.17442	8.3
213.16360	6.8
215.18005	12.7
217.15871	3.9
217.19493	11.5
219.17537	2.7
221.15477	2.4
221.18983	5.5
223.16974	2.7
227.18005	3.7
229.19540	6.1
231.17384	2.7
231.21103	16.2
235.16908	18.0
245.22684	3.4
247.16895	6.2
249.18526	28.6
257.22626	3.4
259.16937	4.0
259.20801	3.0
261.18423	5.1
275.20071	5.7
343.26355	2.4
393.35162	11.9
402.13983	2.4
411.31485	3.0
411.36319	48.7
421.30960	5.4
439.36121	37.0
457.19501	3.4
457.27042	4.3
457.37344	65.0
458.37192	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	457.3679
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03941	2.3
55.05513	14.1
57.07065	6.9
60.98917	1.7
66.02084	1.6
67.05508	14.8
67.23618	1.4
69.03432	1.7
69.07069	32.2
69.84299	9.6
71.04987	2.6
71.08627	2.6
79.05498	9.0
81.07063	30.3
83.04979	2.5
83.08624	13.9
85.06566	3.3
91.05495	7.2
93.07057	19.2
95.04976	3.4
95.08041	3.5
95.08614	42.9
97.06528	3.1
97.10184	3.5
98.21379	2.7
99.08102	3.2
105.07038	14.6
107.04936	2.0
107.08602	26.7
107.33405	1.6
109.06539	3.8
109.10163	38.4
111.08089	2.3
111.11041	1.7
111.11732	12.5
117.07039	2.8
119.08580	20.1
121.06458	2.4
121.10151	35.4
123.08112	2.2
123.11716	18.0
125.06001	3.0
125.09572	2.3
129.07022	2.8
131.08588	6.3
133.10153	18.0
135.08086	4.7
135.11688	18.3
137.09657	3.3
137.13274	5.6
139.11160	8.1
143.08592	3.5
145.10126	9.8
147.11703	17.5
149.09644	2.2
149.13242	14.0
151.03882	2.2
151.07579	1.9
151.14783	3.4
157.10152	7.2
158.10851	2.8
159.11684	12.5
161.09647	2.2
161.13214	10.9
163.11209	2.9
163.14815	7.6
165.09161	2.3
169.10190	3.0
171.11699	7.5
173.13322	12.0
175.11235	2.7
175.14812	6.6
177.12827	2.6
177.16370	6.7
183.11685	3.3
185.13283	7.4
187.14842	7.3
189.16417	5.9
191.14336	7.1
191.17966	4.6
193.12350	1.7
193.15965	3.6
197.13290	3.5
199.14798	5.1
201.16383	6.8
203.17934	5.2
205.15965	3.5
205.19508	5.7
207.17387	2.3
209.13345	1.8
211.14879	4.9
213.16408	4.6
215.17978	5.6
217.15898	1.9
217.19554	2.9
225.16563	2.1
227.17990	5.0
229.19536	5.6
233.18965	4.3
243.21140	1.7
244.84254	1.7
245.19102	2.9
253.19473	2.2
255.21046	3.3
269.22388	2.6
271.20392	2.6
274.97900	2.5
281.22675	5.3
283.24033	4.3
284.26837	3.4
287.20145	3.1
293.22726	3.2
299.23697	29.4
299.26822	1.5
301.21796	2.8
301.25171	2.6
307.24377	1.8
351.26877	5.6
365.28464	3.7
403.33685	8.7
421.34634	48.1
422.35178	2.3
439.35721	100.0
440.35913	5.5
457.30429	3.8
457.36603	34.5
457.44250	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.05508	7.5
55.12074	1.2
57.07090	1.6
63.82133	1.1
65.03941	1.1
67.05507	9.9
69.03398	1.2
69.07073	8.8
69.10522	1.0
69.80347	5.5
79.05494	10.2
81.07055	21.5
83.04984	4.6
83.08612	4.6
85.06527	2.2
91.05477	8.3
93.07050	26.0
93.07623	2.0
95.04978	3.6
95.08607	37.2
96.08949	1.5
97.06537	2.2
97.10143	3.0
98.20763	1.5
98.21308	2.8
103.05461	1.1
105.07031	23.0
107.08593	30.6
109.06520	3.5
109.10151	18.9
110.76557	1.1
111.08083	2.5
111.11726	1.7
117.07029	1.4
119.08585	32.9
121.06519	2.6
121.10139	28.4
123.08073	2.5
123.11726	7.5
125.09620	4.1
129.06999	1.9
131.08565	7.9
133.06483	1.5
133.10139	18.7
135.08067	3.7
135.11684	18.4
137.09654	1.2
137.13321	2.8
139.07565	2.0
139.11197	2.8
143.08571	5.1
145.10114	9.5
147.08087	2.1
147.11703	15.7
149.09628	30.3
149.13249	6.9
151.11218	2.5
153.09091	2.7
157.10127	8.6
159.11768	5.8
159.12930	1.2
161.09639	3.5
161.13300	8.5
163.14838	10.0
167.07094	1.4
167.08464	1.2
167.10689	3.5
169.10120	2.1
171.11728	4.1
173.13263	7.0
175.11209	2.7
175.14844	13.2
177.16373	5.0
183.11656	2.0
185.13258	4.2
187.11139	1.4
187.14888	8.3
189.12776	3.7
189.16393	19.3
191.17935	3.5
199.14809	4.4
201.16397	5.4
203.14282	8.0
203.17973	6.3
205.15913	6.2
211.14842	2.2
213.16312	2.2
215.14204	1.4
215.18002	1.7
217.15874	4.8
217.19397	1.6
219.17480	2.1
221.15450	1.2
221.18871	1.4
225.16408	2.2
227.17926	2.8
229.19510	1.3
231.17540	2.8
235.16927	5.2
241.19731	1.6
243.17426	1.9
249.18430	1.5
253.19608	2.3
265.19690	1.3
273.22067	1.7
279.21286	1.6
285.22159	2.2
289.18045	4.3
303.23257	2.1
353.36560	1.1
375.30484	3.6
393.31561	7.5
409.34897	2.7
411.32452	3.5
421.31079	4.9
439.31558	35.4
442.12064	1.3
457.31824	21.8
457.36639	100.0
458.37305	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.02398	0.7
53.03941	0.9
53.67490	0.7
55.05288	0.6
55.05510	4.8
57.07069	1.3
59.05013	0.8
67.05512	7.7
69.03429	1.5
69.07071	5.0
69.63137	2.6
69.63545	1.5
70.96460	0.7
79.05490	5.6
81.07058	13.9
83.04982	5.2
83.08614	2.4
85.06530	1.5
89.88268	0.7
91.05473	4.6
93.07046	11.9
95.04980	2.9
95.08610	19.0
97.06529	1.9
97.10195	2.2
98.21351	1.9
99.04493	0.7
99.89589	0.7
105.07035	11.6
105.85344	0.8
107.04986	1.0
107.08596	17.7
109.06521	1.9
109.10164	12.3
111.08076	1.5
113.09585	0.9
115.05495	0.7
117.07054	1.4
119.08585	13.9
121.06512	1.8
121.10135	10.9
123.08067	2.1
123.11709	4.7
125.09662	0.8
129.06946	0.8
131.08585	3.5
133.06473	1.2
133.10135	9.9
135.08073	2.5
135.11693	9.2
137.09653	0.9
137.13286	2.9
143.08597	2.5
145.10120	5.2
147.08084	2.0
147.11710	7.2
149.09622	4.4
149.13284	3.9
151.07597	1.5
153.12724	0.7
155.08565	1.2
156.09427	0.8
157.10094	3.7
159.11717	3.8
161.09641	2.8
161.13261	4.3
163.11159	0.8
163.14833	4.8
167.07077	2.3
169.08673	1.5
169.10136	1.3
171.11732	2.8
173.09648	1.2
173.13260	3.4
175.07582	0.9
175.11214	1.6
175.14885	7.3
177.09152	0.7
177.12860	0.8
177.16371	6.3
179.14313	1.0
185.13269	2.3
187.11171	1.0
187.14792	4.9
189.12798	1.0
189.16376	7.5
191.07045	0.7
191.14438	1.3
191.17982	2.2
199.14876	1.6
201.12967	1.2
201.16476	2.3
203.14348	1.5
203.17961	7.0
205.08672	0.8
205.15897	0.8
207.17404	1.3
211.14865	1.0
213.16454	2.0
215.14336	0.9
215.18057	1.2
217.15956	2.1
219.17491	0.8
221.15395	1.3
221.19025	2.5
229.15918	1.3
229.19489	0.9
231.17480	2.5
235.16971	2.3
241.19479	1.1
245.19044	1.4
247.16982	1.0
249.18599	3.1
255.21069	1.0
261.18405	0.9
267.21161	1.4
273.22232	1.0
273.69363	0.8
285.22235	2.1
297.56158	0.8
303.23282	1.8
357.27985	0.9
421.35184	1.2
427.35449	1.0
439.36240	5.9
457.36874	100.0
458.37006	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	457.3679
Annotation	Bacosine
Peak:m/z	Relative Intensity
53.03947	1.7
55.05511	11.2
57.07080	7.1
60.51687	1.4
67.05508	22.7
69.07075	19.8
71.08640	1.7
71.11433	1.7
71.11778	1.7
71.31573	1.3
79.05498	13.0
81.07056	54.2
83.08624	13.7
83.86594	1.4
90.13380	1.4
91.05490	11.5
91.29543	1.3
93.07043	30.7
93.07625	2.2
95.05027	1.8
95.08607	100.0
97.06577	1.6
97.10193	5.8
105.07030	26.0
107.07867	3.0
107.08596	55.9
109.06575	1.8
109.10156	54.7
110.10537	2.4
113.07947	1.4
117.07027	2.6
119.08585	50.8
119.54469	1.5
120.06331	1.4
121.10152	41.6
123.08098	1.9
123.11711	34.9
123.12543	2.1
124.17782	1.5
131.08617	7.2
133.10132	34.8
133.11049	2.2
135.11697	38.6
137.13252	24.7
139.11211	2.0
143.08582	1.5
145.10126	10.9
147.11685	31.0
147.12761	2.0
149.13271	23.1
151.07628	2.4
151.14861	2.6
153.09137	6.6
157.10197	3.1
159.11700	10.6
161.13260	21.5
163.14821	26.6
167.10786	3.5
171.11749	3.0
173.13281	6.9
175.14816	17.0
175.15973	1.4
177.09152	2.1
177.16374	16.4
179.10735	2.4
179.17967	6.2
185.13452	1.7
187.14854	11.6
189.12842	2.5
189.16383	81.7
191.17952	65.6
192.18349	2.5
193.12288	3.3
193.19548	1.5
199.14893	3.5
201.16360	15.2
203.17957	65.8
205.19568	10.7
207.17503	9.7
213.16467	6.6
215.17940	20.3
217.12314	5.8
217.19507	12.4
218.45447	1.4
219.13947	2.3
219.17680	1.6
221.19128	4.6
223.17007	2.1
227.17896	1.6
229.19586	4.3
231.17520	2.1
231.21034	14.5
235.16934	13.8
243.21275	2.5
245.22742	2.3
247.17029	6.6
249.18495	24.2
257.22733	2.5
259.17056	4.6
261.18518	12.6
269.22751	2.2
271.24243	2.8
275.20245	2.0
277.21713	3.1
315.23380	2.0
393.35266	15.3
411.36237	44.5
439.35944	37.5
457.36972	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
53.03948	3.0
55.05511	21.2
57.07066	4.6
57.31699	3.4
66.20150	3.4
67.05508	34.6
68.22054	3.3
69.07073	22.5
69.48651	24.9
69.83318	2.8
79.05495	23.7
81.07052	58.9
83.04979	8.5
83.08609	13.2
85.06559	4.8
91.05478	35.9
93.07045	56.0
95.04993	8.8
95.08603	76.2
97.06547	5.0
103.05458	3.1
103.73406	4.1
104.78928	3.1
105.07024	70.8
105.07677	6.4
107.04913	3.3
107.08593	73.8
109.06474	3.5
109.10165	40.7
111.08109	16.3
117.07013	14.6
119.07781	6.6
119.08578	88.6
121.06470	7.9
121.10148	57.9
123.08060	8.1
123.11704	15.2
125.05959	3.3
125.09676	3.3
129.06981	7.3
130.07753	3.8
131.08563	47.3
133.10132	65.2
135.08049	9.8
135.11662	28.5
137.09587	5.9
139.11067	4.3
142.07774	3.9
143.08568	21.5
144.09383	4.3
145.10121	76.6
147.07980	4.9
147.11702	30.6
149.09621	9.1
149.13239	20.5
151.07509	5.6
151.11198	3.8
153.09132	4.2
153.12772	3.6
157.10138	18.1
157.48923	3.4
159.11676	39.2
161.09579	6.6
161.13254	27.7
163.11192	4.4
163.14844	16.2
165.09108	8.5
167.07039	13.9
167.08395	4.2
169.10059	5.4
171.11694	13.1
172.12425	4.8
173.13255	26.3
175.14825	30.4
177.12805	5.2
177.16367	22.3
183.11671	6.6
185.13295	19.7
187.14822	88.9
189.16389	63.1
191.14297	6.5
191.18019	4.7
195.11697	3.6
197.13281	3.6
198.55444	3.3
199.14848	19.9
201.16386	64.1
203.14230	8.2
203.17946	13.8
205.15869	30.9
207.10089	4.8
207.17294	4.3
211.14909	5.6
213.16385	17.1
215.17943	17.7
217.15881	10.9
217.19585	5.5
219.17433	8.7
221.15358	4.3
227.17871	8.0
229.16026	3.6
231.13707	4.1
235.16965	14.5
241.19650	5.9
247.16927	14.4
261.18488	5.5
267.20905	4.7
359.18274	4.6
375.30441	18.3
393.31494	56.3
411.32779	4.8
421.30841	25.5
439.32358	21.7
457.21793	9.5
457.33466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05516	8.5
57.07090	4.4
67.05505	16.4
69.07071	12.6
69.63659	21.0
71.36150	2.8
71.74371	3.3
79.05500	15.6
81.07061	40.8
83.08620	6.5
85.06585	3.1
91.05467	9.2
93.07043	31.2
95.08046	6.4
95.08613	80.6
97.10183	3.5
98.20908	7.5
98.21455	3.5
105.07047	16.3
107.08599	50.4
109.10152	35.3
119.08585	27.2
121.10152	43.8
123.11691	18.8
131.08595	3.6
133.10144	20.1
135.11694	28.9
137.13242	3.5
145.10129	7.9
147.11697	20.9
149.13271	26.0
159.11697	10.0
161.13205	14.0
163.14812	39.2
173.13269	6.4
173.84518	3.1
175.14787	14.1
177.12924	3.1
177.16422	14.6
179.14333	3.7
181.05016	8.5
183.54956	3.3
187.14850	8.3
189.16391	25.1
191.17931	21.6
201.16486	6.1
203.17996	33.7
205.15907	3.1
205.19499	7.7
207.17484	12.8
215.17921	4.0
217.19508	5.2
220.07396	3.5
229.19482	4.5
231.21107	9.4
233.08107	10.3
233.19089	5.1
288.99072	3.3
297.25784	5.1
310.80099	3.5
315.26932	6.9
393.35135	8.6
411.36224	100.0
432.23865	3.0
439.28387	24.2
439.35638	12.1
457.29636	3.3
457.37296	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05507	4.1
57.03421	1.5
57.07080	2.0
58.75792	1.0
59.04995	3.0
65.03922	1.3
67.05508	5.3
69.03429	9.4
69.07055	4.4
70.06579	1.0
71.05003	2.1
71.47154	1.8
78.88988	1.0
79.05502	7.1
81.03455	4.7
81.07065	12.0
83.04983	5.1
85.02909	5.7
85.06549	1.9
87.04471	1.2
91.05492	8.4
93.07056	8.4
95.04990	11.1
95.08618	8.9
97.02891	3.3
97.06544	1.9
99.04465	2.9
105.07030	10.1
107.04931	3.1
107.08607	18.4
109.02872	2.4
109.06525	6.4
109.10152	9.6
109.97511	0.9
114.05573	1.1
117.07009	3.7
117.58790	1.0
119.08582	6.0
121.06506	1.9
121.10138	10.4
122.07287	4.1
123.08048	3.0
123.11793	2.2
125.06030	1.3
125.09594	1.2
127.03917	3.9
129.07005	1.2
131.08563	3.9
131.23511	1.0
133.10144	100.0
133.18234	0.9
134.10480	2.0
135.08049	7.3
135.11658	2.6
137.05991	1.7
137.09628	48.5
145.04951	1.4
145.10123	3.6
147.04417	2.3
147.11664	3.5
149.09622	3.4
149.13260	10.0
151.07552	6.7
151.11183	1.6
153.01823	3.6
153.09154	1.2
159.08089	1.0
159.11757	1.3
161.09634	2.4
161.13232	1.7
163.11136	1.3
163.14798	2.8
165.09166	4.9
167.07095	2.4
171.06528	1.1
173.13257	6.3
175.07529	1.0
177.09102	1.0
189.09010	1.0
191.10735	2.2
191.14328	38.1
192.14653	1.4
209.15392	9.8
259.16794	1.0
269.15009	1.2
302.61581	1.1
302.72385	0.9
457.24194	7.2
457.29889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.01860	0.5
55.05508	1.6
57.07084	0.5
65.03931	0.3
67.05507	5.9
68.05875	0.3
68.59013	0.3
69.03403	0.4
69.07061	1.9
70.14778	1.2
79.05499	5.6
80.48587	0.4
81.07064	5.7
83.01344	0.8
83.04998	0.4
83.08595	0.7
91.05487	2.7
93.07046	5.8
95.04959	1.1
95.08606	4.7
97.02891	1.3
97.06516	1.0
98.21128	0.5
105.04535	0.4
105.07035	2.2
107.04938	1.0
107.08604	2.9
107.80186	0.3
109.06495	1.0
109.10150	2.8
111.08119	0.4
117.07013	0.6
119.08566	1.6
121.10148	2.5
123.08031	0.3
123.11694	0.7
125.05979	0.8
131.08569	1.5
133.10143	0.8
135.11682	1.7
137.05988	2.5
145.10127	1.0
147.11754	1.3
149.13243	1.1
151.07576	0.3
153.05452	0.9
155.07034	10.6
159.11682	0.8
161.13324	0.6
163.14877	0.4
167.07027	0.4
173.13268	0.8
177.16351	0.3
179.03384	0.9
179.07043	1.2
181.04962	100.0
182.05328	1.6
187.14859	0.6
197.08054	1.8
233.08086	0.7
236.79855	0.4
243.21103	0.4
261.22180	1.5
284.26852	0.3
303.23215	0.6
366.98965	0.3
370.06744	0.3
439.28369	6.4
440.28375	0.4
457.28894	0.4
457.34991	1.2
457.44418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03951	1.1
55.01886	0.6
55.05509	0.7
56.05018	0.4
57.03436	1.4
63.85388	0.5
65.03945	0.5
68.05045	0.8
69.03433	1.5
69.07065	1.3
70.06599	0.6
71.56552	0.6
79.01846	3.3
79.05492	8.0
80.05016	1.8
81.03413	5.2
81.05811	4.6
81.07054	8.1
82.02926	2.6
82.06575	0.7
83.03732	1.6
85.02898	2.3
86.06076	3.6
94.06587	1.3
95.04971	1.3
96.04495	6.1
96.08134	12.5
97.02889	3.5
97.06545	1.3
98.21101	0.6
99.04448	0.4
106.06594	1.0
107.01331	1.3
107.04988	0.4
109.02850	3.4
109.05318	0.5
112.07611	7.2
122.06023	0.4
124.07594	100.0
125.02363	2.9
125.05948	0.7
125.07932	0.6
126.39789	0.4
127.03916	3.3
131.92570	0.4
142.08636	93.9
143.03400	4.3
147.04434	0.5
153.01833	71.2
153.02798	3.3
160.07533	0.5
162.05899	0.5
171.02892	5.5
225.20810	0.6
232.43002	0.5
297.06116	4.5
304.13904	2.0
315.06985	2.2
381.21344	0.5
381.58301	0.6
406.46387	0.5
456.14951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05497	9.6
56.00615	2.1
57.03438	5.2
61.02927	3.2
69.03422	16.3
69.07074	3.2
71.04984	1.9
71.56467	2.0
73.02880	2.9
73.06559	100.0
81.03430	10.7
83.04994	14.5
85.02912	39.3
85.71510	2.1
87.04535	2.9
96.65409	2.1
97.02895	33.0
97.06516	8.9
99.04449	9.1
99.08104	3.1
101.06016	18.9
109.02884	10.1
111.04436	2.4
115.07570	18.8
115.32448	2.1
119.07057	20.3
121.02864	2.0
123.04418	3.3
124.07574	11.4
125.06100	2.8
127.03934	23.7
140.06992	2.1
141.05392	3.2
142.08682	11.1
142.09613	2.4
145.04947	15.1
153.01860	14.8
159.06523	7.7
177.07570	7.1
199.09639	5.7
208.09695	3.2
236.36452	2.2
245.10204	4.7
261.12799	2.1
263.11227	6.8
277.12891	4.8
444.87558	2.2
456.14346	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	456.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48693	0.8
55.05496	0.9
57.03439	7.5
57.59846	1.0
59.05000	1.1
67.05499	1.6
69.03431	18.6
69.69161	1.9
69.69534	5.1
71.08636	23.1
73.02917	3.4
73.59745	0.8
78.38500	0.9
81.03418	1.4
83.25026	0.9
85.02914	14.2
87.04478	11.7
97.02899	16.6
98.21468	1.7
99.08099	29.1
100.98026	0.9
105.07067	1.1
109.02863	1.3
109.10151	1.3
115.03938	15.1
127.03947	1.4
127.11198	27.7
133.04965	17.5
135.04491	1.0
145.04967	1.9
145.06503	0.9
145.12247	100.0
146.12582	1.6
150.07652	1.5
153.01819	3.4
154.02159	1.1
163.06052	1.2
177.52843	0.9
178.05006	3.3
187.70457	0.8
193.11934	0.9
246.66135	0.9
259.08432	0.9
291.43777	0.9
304.05322	2.1
315.13293	1.5
447.97580	1.0
456.06390	1.0
456.22650	2.5
457.07431	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	457.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03959	1.2
55.05497	0.8
57.03423	0.6
58.64539	0.6
67.05515	0.7
69.03432	4.7
71.04984	1.8
73.06567	0.7
74.11874	0.6
79.01841	4.1
79.05488	1.1
81.03429	7.9
81.07051	1.0
83.04975	1.3
85.02914	3.8
91.05482	1.4
95.04971	1.0
97.02895	5.0
99.04420	0.9
103.03951	1.1
105.07069	0.7
107.01313	2.1
107.08598	7.2
109.02866	4.9
123.04444	1.5
124.07605	1.2
125.02335	4.3
125.05972	0.8
125.09640	11.0
126.03757	1.1
127.03930	6.8
137.05966	0.9
141.83179	0.7
142.08673	1.0
143.03395	8.0
143.07022	1.0
143.10719	4.0
144.04788	10.5
145.04942	1.9
147.04430	0.9
153.01839	100.0
153.02821	4.2
154.02164	1.1
163.03897	0.8
171.02914	9.7
177.05487	4.3
178.04974	2.2
179.03415	0.8
181.52081	0.7
255.05075	1.5
297.06049	5.9
315.07254	5.0
325.03772	2.5
329.10471	0.9
352.28598	0.7
458.18079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Lamesticumin C
Peak:m/z	Relative Intensity
53.03955	3.7
55.05506	14.1
56.07445	4.1
56.90092	3.8
57.07079	8.5
59.04979	4.5
67.05503	33.9
69.07076	26.1
69.88697	20.7
71.04988	9.2
71.08615	3.9
72.04504	5.0
74.47689	3.3
79.05503	15.3
80.79901	3.4
81.07060	62.3
83.08620	11.5
91.05454	25.3
93.07048	34.0
95.04971	4.8
95.08617	65.7
97.10179	6.7
98.20782	4.0
105.07035	41.2
107.04928	3.7
107.08603	44.3
109.09456	7.7
109.10159	78.3
117.07019	12.6
119.08585	54.7
120.36166	4.1
121.06532	5.0
121.10146	33.6
123.08074	3.8
123.11715	20.7
125.09637	4.9
127.11189	22.5
129.07021	5.4
131.08568	42.4
133.10141	34.4
135.08063	9.6
135.11671	21.2
137.13246	6.9
139.11069	5.0
142.07784	7.2
143.08601	12.3
145.10162	27.6
147.08055	15.1
147.10608	6.0
147.11670	39.8
149.13280	12.4
155.08490	21.7
156.09355	5.4
157.10164	14.7
159.08063	10.0
159.11713	23.9
161.09642	8.1
161.13243	16.0
163.11208	6.7
163.14871	6.7
169.10181	9.4
171.11736	12.4
173.09669	32.0
173.13258	36.8
175.11205	6.2
175.14844	13.6
177.16386	8.3
182.10968	5.3
183.11673	5.0
187.11241	6.2
187.14832	10.2
189.16411	14.7
197.13255	16.9
199.14732	4.5
201.16385	12.0
203.17958	75.9
203.19734	7.2
205.19519	5.0
207.17397	9.7
213.16380	3.9
215.14323	54.7
215.17868	8.8
217.12244	3.5
217.15923	13.7
217.19574	8.9
229.15866	4.0
233.15385	100.0
247.17046	8.4
253.19571	4.5
285.18436	7.8
397.31064	9.2
419.33243	6.7
437.34167	60.5
455.30008	4.6
455.35364	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	455.3521
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03912	3.1
53.96041	3.3
55.05516	25.8
57.03448	4.4
57.07066	13.0
67.05511	27.5
69.07064	30.0
71.08617	6.0
71.57816	4.4
76.10484	3.0
79.05489	23.0
81.07059	58.2
83.08169	4.7
83.08614	31.2
85.10205	4.9
86.45528	2.8
90.00510	3.2
91.05487	18.4
93.07062	53.1
95.04982	5.9
95.08609	100.0
97.06561	4.0
97.10182	6.9
99.08102	3.6
105.06384	4.4
105.07035	50.5
107.04978	3.3
107.08597	82.1
109.06501	3.7
109.10159	55.1
110.84661	3.3
116.85458	3.1
117.06998	5.8
119.08581	77.9
121.10144	57.7
123.08040	8.1
123.11708	22.4
125.09639	6.4
129.07016	4.8
131.08565	13.5
131.31345	3.6
133.10132	61.7
135.08069	6.1
135.11731	28.2
137.09633	4.1
137.13242	6.0
143.08563	6.8
145.10144	27.2
147.11693	49.1
149.09602	5.3
149.13269	36.6
153.09181	5.0
157.10135	7.7
159.11702	24.9
161.13277	29.0
163.11235	6.0
163.14822	59.7
165.12749	8.0
171.11655	8.0
173.13286	18.3
175.11089	4.4
175.14845	40.7
175.91075	4.3
177.16402	38.6
181.04890	3.6
185.13261	5.7
187.14806	26.7
189.16399	98.2
190.13544	5.4
191.14413	5.3
191.17928	17.5
199.14879	4.3
201.16402	37.4
203.14131	4.3
203.17961	82.7
203.19743	6.5
205.15895	27.6
207.17456	18.9
213.16368	8.5
215.14627	3.5
215.17929	17.0
217.15788	4.8
217.19553	9.6
219.17459	8.9
221.19180	4.7
225.16336	5.3
227.18062	4.1
229.19443	5.1
231.17545	5.9
233.19069	5.0
235.16942	10.9
239.23613	3.5
241.19597	7.0
243.21091	4.9
246.99751	3.3
247.16870	3.6
249.18544	11.8
253.19371	4.1
259.20688	3.4
315.22937	4.1
315.89059	3.3
355.26273	3.7
391.33456	18.3
409.34689	75.4
411.32678	8.9
437.34259	36.7
455.35565	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	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.24106	0.9
55.01854	1.1
55.05506	9.8
57.07075	7.8
65.03951	1.0
67.05178	1.6
67.05509	25.4
69.07066	18.1
69.75398	6.0
71.08624	1.9
74.34531	0.9
75.24093	0.9
75.51707	0.9
77.52842	1.0
79.05494	10.9
81.07059	77.0
83.08617	11.1
91.05479	5.5
93.07053	15.2
95.04955	0.9
95.08610	100.0
97.10157	4.3
98.21179	3.3
105.07027	12.2
107.08599	16.2
109.10159	36.1
111.11706	2.0
117.06994	4.7
117.75810	0.9
119.08568	11.8
121.06586	1.0
121.10138	13.2
123.08109	1.5
123.11710	33.1
125.13286	1.5
128.06148	1.1
129.07016	5.1
131.08568	10.8
133.10147	11.4
135.11710	11.8
137.13261	54.2
141.07001	1.8
142.07706	1.5
143.08563	9.0
145.10138	10.8
147.11687	7.0
149.13252	6.9
151.14804	4.0
154.07706	1.3
155.08531	2.7
157.10129	6.2
159.11734	6.1
161.09587	1.0
161.13231	6.7
163.14828	2.7
165.12695	1.2
168.09320	1.1
169.10135	5.7
171.11673	10.2
173.13269	7.8
175.11282	1.4
175.14796	3.5
177.16362	2.6
179.17953	6.9
181.10135	1.4
183.11697	5.0
185.13261	8.2
187.14801	6.4
189.16374	3.5
191.14363	2.4
191.17966	4.9
197.13176	5.5
198.13927	1.0
199.14851	7.8
201.16402	4.7
203.14342	1.0
203.17969	4.6
205.15895	1.2
205.19518	2.9
211.14833	7.2
213.16415	7.5
215.10745	1.1
215.17943	1.3
217.12213	3.3
217.15857	1.5
217.19569	2.6
219.13794	1.1
219.17419	1.6
225.16344	1.9
227.18021	1.4
229.15871	3.3
231.13722	1.7
231.17442	2.7
239.17998	4.4
241.19498	7.0
243.13768	1.9
245.15501	1.6
247.16826	1.3
253.19475	3.0
255.21211	1.6
257.15329	2.4
259.17242	1.3
259.20575	3.3
267.21057	3.2
271.20435	1.5
275.16434	3.9
285.18597	1.6
285.21912	1.8
391.33646	9.2
409.34671	14.7
436.31830	1.2
437.34491	8.2
445.63962	1.0
451.62155	1.1
455.35699	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.3
55.05294	3.9
55.05517	36.2
55.19203	4.7
56.57828	3.6
57.03426	9.5
57.07079	8.9
59.04986	7.4
61.66677	3.9
67.05162	7.3
67.05508	100.0
67.08646	3.9
69.03435	5.0
69.07076	39.1
71.04991	9.1
71.57821	4.9
79.05507	35.1
81.03397	8.2
81.07066	67.1
83.04977	13.7
83.08633	22.4
85.02911	4.2
85.06499	4.8
91.05489	42.2
92.91489	3.7
93.07047	56.9
95.04982	12.5
95.08611	95.8
97.06532	12.9
97.10170	14.4
105.07030	58.7
107.08600	89.3
109.10161	86.8
111.08079	9.5
117.07032	13.3
119.08588	86.5
121.10147	66.9
123.08092	5.5
123.11701	24.7
125.09621	6.9
129.06908	5.6
131.08595	26.3
133.10132	71.0
135.11693	48.4
137.09618	5.2
137.13210	9.3
143.08528	6.7
145.10143	49.9
147.11687	34.2
149.09644	5.5
149.13284	16.6
157.10150	12.0
159.11700	46.9
161.13266	28.9
163.07553	6.6
163.14862	28.6
169.10104	4.3
171.06651	4.3
171.11649	10.6
173.11745	13.9
173.13306	25.6
175.14812	35.6
177.08958	5.4
177.16418	14.2
177.52832	4.0
181.12335	3.6
185.13235	8.0
187.14842	52.2
189.16438	43.9
191.10638	4.9
191.17960	100.0
191.19595	7.8
199.09579	5.2
199.14847	11.8
201.16396	89.5
203.14258	4.3
203.17967	58.9
205.15819	5.1
205.19591	7.9
207.17572	4.8
213.16388	6.5
215.14488	4.9
215.17967	18.8
217.19539	12.4
219.17462	17.5
221.15421	4.8
221.19000	6.5
229.14221	7.1
229.19588	9.3
231.21185	4.9
235.16989	4.1
247.16917	35.2
261.18613	6.7
391.33475	11.1
395.18420	6.1
409.34769	24.8
412.38962	4.0
437.25153	4.9
437.34714	30.3
455.15179	4.7
455.25772	20.0
455.35175	20.5
473.11029	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	34.2
57.03411	6.2
57.07084	10.6
59.04985	7.2
65.61074	6.7
67.05510	88.1
68.51086	6.6
69.07073	30.1
69.77615	31.6
76.63543	6.5
79.05499	23.6
81.07063	79.8
82.50260	6.3
83.04987	8.7
83.08630	21.0
91.05475	35.0
91.90284	7.0
93.07047	46.1
95.08612	95.3
97.06535	11.4
97.10161	13.0
98.20808	9.5
98.21360	14.1
105.07024	60.1
106.89061	6.1
107.05006	6.9
107.08604	72.0
109.10161	95.9
111.08097	9.8
119.05173	5.6
119.08597	100.0
119.46930	5.9
121.06617	7.4
121.10125	67.4
123.08060	16.0
123.11694	26.9
125.09637	8.2
131.08592	35.0
133.10143	69.0
135.08046	10.0
135.11710	50.3
137.09641	8.3
137.13246	13.6
143.08600	7.1
145.10123	65.9
147.11674	31.9
149.13257	21.0
157.10126	20.7
159.11732	49.5
161.13263	44.6
163.14818	36.4
171.11703	18.4
173.11958	8.5
173.13249	39.3
175.14850	34.4
177.16357	15.5
179.14369	8.7
185.13190	14.0
187.14833	96.3
189.16418	29.0
191.17911	45.1
199.14871	15.4
201.16374	79.4
203.14275	6.5
203.17963	41.9
205.15962	14.0
205.19545	6.4
207.17462	16.1
213.16393	9.1
215.17928	21.0
217.19540	11.3
217.26768	5.7
219.13966	8.0
221.95171	6.3
227.17847	10.7
229.19528	14.5
231.21056	21.9
243.21141	9.7
247.16937	25.2
259.17078	7.3
261.18481	12.1
275.19870	8.5
289.21808	7.2
391.33844	18.4
409.34894	74.0
411.36353	14.7
427.35565	8.4
437.34882	35.6
455.25946	7.8
455.31201	23.3
455.35971	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.2
57.07066	6.4
59.05006	2.6
66.99020	1.8
67.05222	2.1
67.05515	26.4
69.07066	23.9
70.61884	4.2
70.62279	5.0
79.05493	23.8
81.07056	52.8
83.08616	18.1
91.05492	23.4
93.07042	43.9
95.04963	3.8
95.08610	87.1
97.06530	2.8
97.10174	8.0
98.21223	2.4
103.05491	2.4
105.07036	56.3
107.08595	75.0
109.06489	6.7
109.10156	50.9
111.08085	32.9
117.07010	7.1
117.15231	2.4
119.08584	85.9
121.06516	2.8
121.10145	58.4
121.11021	3.3
123.08090	4.3
123.11710	17.4
125.05988	2.1
125.09662	4.0
131.08575	32.9
133.10135	68.9
135.08052	6.9
135.11691	35.2
137.09587	3.6
137.13263	7.9
141.69981	1.8
143.08549	5.8
144.09358	2.2
145.10123	45.5
146.10876	2.5
147.11694	45.0
149.09616	2.2
149.13266	27.0
151.07559	5.7
151.11197	2.5
153.09068	4.4
157.10155	10.2
159.08101	2.5
159.11681	40.1
161.13257	36.2
163.07568	5.9
163.11157	3.4
163.13487	3.5
163.14818	26.4
165.09145	3.4
167.10704	2.7
171.11684	8.3
172.12587	4.6
173.09595	4.0
173.13264	20.4
175.14848	25.3
177.09113	11.3
177.16396	18.8
179.10655	4.1
183.11720	3.3
185.13271	5.7
187.14828	27.5
189.16382	55.5
191.10693	7.2
191.17952	100.0
197.13319	2.3
199.14815	6.8
201.16397	89.8
202.16797	2.5
203.14282	2.2
203.17957	56.6
204.18217	2.4
205.12198	3.4
205.15913	5.4
205.19540	11.1
207.17509	5.6
211.14871	3.0
213.16380	6.2
215.14174	2.2
215.17908	12.4
217.19543	6.3
219.13977	2.4
219.17482	24.1
227.17908	3.2
229.15903	11.7
229.19588	9.0
231.17610	4.1
231.21103	3.0
233.15367	3.6
233.18939	4.1
235.16943	4.2
241.19490	6.5
243.21082	3.0
247.16936	44.0
249.18666	4.8
255.21114	2.9
259.16907	2.3
261.18597	2.2
265.17926	4.8
279.23248	2.7
287.20145	5.5
295.23990	2.3
301.21933	3.2
391.33847	11.7
397.31128	2.4
409.34747	23.6
411.36630	2.0
413.30103	3.2
437.16013	2.6
437.34262	23.1
438.34366	3.0
455.24326	24.2
455.35916	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43922	2.6
51.87555	2.7
55.05508	21.3
57.07061	11.7
60.40986	2.7
67.05502	26.8
67.68504	3.2
69.07070	29.3
69.57605	22.2
70.95846	9.4
71.04988	3.1
71.08621	4.5
72.93773	3.4
79.05483	20.1
81.07055	53.7
83.04974	3.2
83.08614	12.8
85.10185	3.4
90.94813	6.1
91.05485	27.8
93.07050	51.2
95.04945	3.1
95.08043	5.0
95.08614	81.1
95.55350	3.0
97.06513	5.8
97.10179	11.3
98.20979	10.9
101.15383	2.8
105.07032	55.2
107.08595	100.0
109.10162	58.0
111.08086	6.6
111.11699	3.8
117.07022	8.1
119.08584	92.3
121.10149	56.4
123.08048	4.7
123.11729	22.7
125.09623	7.6
129.06987	3.4
131.08533	14.1
133.10136	69.0
135.08089	3.5
135.11703	48.7
137.13232	6.5
143.08562	6.9
144.09393	3.4
145.10139	45.1
147.11707	46.8
149.13280	24.7
153.09055	7.7
155.08510	3.4
157.10124	12.3
159.11697	44.9
161.13261	43.1
163.07578	6.5
163.14818	32.7
165.12813	7.2
171.11681	9.0
173.13246	28.3
175.14848	34.8
177.09081	8.8
177.16370	20.2
179.14333	18.4
185.13269	8.5
187.14818	30.5
189.16368	71.8
191.17966	17.4
192.80516	3.1
197.13286	4.8
199.14832	6.8
201.16394	48.5
203.17947	51.9
205.16034	4.6
205.19566	3.8
207.17470	14.2
213.16447	9.8
215.17981	24.5
217.15810	3.1
217.19417	5.1
219.17451	6.9
221.18953	11.3
227.17937	6.7
229.15829	6.5
229.19525	25.1
231.21140	3.6
233.15416	3.4
235.16878	11.8
241.19487	8.0
243.21053	21.8
247.16927	33.0
249.18571	4.7
255.20993	8.5
257.22687	4.0
261.18637	6.3
261.22083	4.4
267.21075	3.8
269.22556	5.7
273.21976	3.6
275.20096	15.4
289.21658	11.7
295.24194	5.1
301.21634	9.5
313.25153	3.4
315.22998	7.7
347.13156	3.1
391.33795	15.7
409.34708	34.9
437.34225	57.5
438.33670	3.1
455.15085	57.7
455.35461	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.4
57.07086	5.0
67.05510	33.9
69.07068	30.9
70.81448	6.3
70.81787	3.5
79.05490	16.6
81.07059	67.4
83.04971	5.9
83.08611	12.8
91.05479	21.0
93.07043	48.9
95.08047	5.6
95.08610	100.0
97.06518	4.4
97.10158	5.3
99.19943	3.5
105.07037	38.8
107.08601	73.6
109.06512	3.1
109.10162	48.6
111.08080	7.4
117.06992	5.7
117.39896	3.1
119.08585	70.1
121.10146	60.1
123.11719	25.0
129.40945	2.9
131.08582	19.4
133.10133	47.3
135.11696	40.2
137.13231	12.6
139.11165	11.0
140.42358	3.7
143.08569	9.7
145.10118	32.4
147.11693	38.0
149.13261	36.8
151.14804	5.9
155.08629	3.2
157.10120	10.5
159.11687	28.1
161.13251	22.3
163.14821	23.7
171.11671	12.8
173.13274	17.0
175.14830	18.2
177.09142	4.1
177.16396	32.1
179.14247	4.4
185.13298	7.1
187.14844	21.4
189.16396	41.5
191.17938	14.5
195.17439	22.2
199.14790	9.0
201.16394	35.5
203.17964	35.8
207.17392	8.4
213.16402	7.6
215.18015	18.8
217.19530	4.2
219.13846	3.0
219.17468	5.9
221.18939	5.6
229.19563	11.6
233.15417	4.9
233.19164	3.5
235.16974	3.5
239.18011	4.8
241.19496	11.1
243.21118	9.5
247.16895	18.2
255.21161	9.3
259.16928	5.4
261.18570	4.1
267.21103	4.4
269.22638	8.8
273.18643	5.0
275.19998	4.3
287.20151	8.4
295.24326	3.4
301.21509	6.1
313.21503	4.9
315.23093	4.1
391.33530	10.5
409.34625	48.9
437.34357	39.8
455.24118	33.3
455.35349	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
55.05507	7.8
58.48899	2.6
61.20045	3.2
63.18011	2.7
67.05489	9.1
69.07071	9.4
69.71419	17.8
76.21367	3.1
79.05503	8.5
81.07065	22.7
83.08619	8.5
90.69039	3.0
91.05464	9.2
93.07056	18.2
95.04964	3.1
95.08611	42.0
97.06796	2.8
97.10142	3.6
98.20949	8.4
98.21512	2.8
105.07034	20.6
107.08604	38.6
109.10175	19.7
119.06687	3.0
119.08577	31.9
121.10149	35.9
123.11719	7.3
131.08589	7.7
133.10126	34.1
135.11690	13.3
145.10164	14.7
147.11697	21.9
149.13278	17.3
157.10057	3.4
159.11700	7.3
161.13248	16.1
163.11166	4.1
163.14815	17.5
164.62779	2.7
167.11076	2.7
173.13274	5.6
175.14816	21.1
177.12921	3.8
177.16373	30.7
187.14832	15.3
189.16393	33.5
191.17886	7.8
201.16383	9.9
203.17976	78.6
205.15884	55.2
213.16383	4.9
215.17900	3.7
219.17441	4.7
233.18996	3.7
249.18527	11.3
301.21448	3.5
391.33612	8.3
409.29510	5.3
409.34683	100.0
410.34937	3.3
437.34293	15.6
455.35284	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98461	1.0
55.05513	5.0
57.07058	1.4
67.05498	7.6
69.07067	7.2
69.63622	2.1
69.64033	3.7
79.05495	7.5
81.07059	11.4
83.08603	5.6
91.05471	6.7
93.07037	12.6
95.04978	1.1
95.08610	30.5
95.53532	1.1
97.10163	1.6
98.21275	2.9
105.07034	9.7
107.08596	39.4
109.10151	14.9
111.08070	1.4
117.07024	1.7
119.08591	20.0
121.10146	29.0
123.11720	3.6
131.08594	4.6
133.10138	19.5
133.11084	1.7
135.08031	1.6
135.11693	9.6
145.10123	10.7
147.11705	10.6
149.09627	2.1
149.13269	8.8
159.11702	7.2
161.13278	8.0
163.11179	12.2
163.14851	5.7
167.10732	1.2
171.11737	1.8
173.13332	4.8
175.14842	16.0
177.12698	1.2
177.14806	1.5
177.16380	27.8
179.14372	1.6
185.13313	1.6
187.14833	11.3
189.12837	1.5
189.16389	13.0
191.17995	2.8
201.16420	4.4
203.17975	25.5
205.15878	100.0
205.19508	4.0
206.16356	1.1
207.17480	3.2
208.99625	1.0
213.16396	2.2
215.17986	3.4
217.19502	1.0
219.17471	1.2
229.19650	1.5
231.17653	1.6
235.17065	1.2
239.17821	1.1
249.18549	5.2
285.25754	2.2
295.24185	4.8
313.25189	7.8
339.26929	2.4
391.33395	2.8
409.34671	34.6
410.35446	1.4
437.34503	9.0
455.35922	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05509	13.5
57.07067	7.3
67.05505	31.7
67.82040	2.9
69.07069	17.5
69.59379	16.6
74.70074	2.8
79.05493	21.3
81.07063	57.1
83.04968	4.3
83.08615	12.0
85.06560	3.0
91.05466	21.9
93.07051	53.1
95.04948	3.7
95.08611	100.0
95.12419	2.3
97.10156	8.2
98.20755	5.6
98.21407	6.3
105.07029	41.2
105.20705	2.7
107.08604	57.3
109.06514	4.7
109.10165	56.8
111.08078	51.3
117.07022	6.9
119.08590	50.2
121.10146	50.2
123.11729	16.6
131.08594	19.5
133.10138	43.2
135.11673	27.1
137.09557	3.3
137.13222	5.1
139.11163	6.3
143.08545	7.3
145.10138	29.0
147.11694	41.9
148.24767	2.7
149.09581	3.5
149.13263	33.3
151.11240	3.2
151.28914	2.7
153.09126	3.5
157.10153	9.6
159.11717	26.4
161.13252	35.6
163.14809	29.0
165.12741	3.7
167.14360	3.3
171.11732	7.6
172.77574	2.6
173.13246	21.3
173.14536	3.0
175.11263	2.8
175.14822	36.3
177.16388	14.5
185.13303	6.1
187.14813	23.8
189.16391	41.0
191.17947	6.0
199.14850	5.1
201.16389	17.1
203.17946	22.2
205.15845	11.3
207.17455	4.7
213.16351	9.1
215.18011	14.3
217.15817	2.9
217.19556	4.0
219.17484	7.9
221.18976	2.7
225.16264	3.4
227.18008	7.6
229.19478	16.8
231.17554	4.1
241.19582	12.3
243.21149	16.6
247.16965	5.1
247.20445	3.5
255.21004	12.5
257.22617	5.1
259.20532	4.4
261.18457	2.9
261.22223	4.8
269.22620	7.0
273.22012	3.1
287.19986	7.6
289.21695	4.2
299.20007	3.3
301.21561	9.2
314.27832	11.7
315.23178	5.1
351.30527	5.6
390.87589	2.7
391.33676	17.3
397.30984	4.0
406.97336	2.8
409.34744	59.9
425.33868	9.7
437.34351	31.6
455.35745	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05499	5.3
57.07067	5.4
67.05505	7.4
69.07061	7.1
69.22844	2.4
69.23190	14.7
71.08624	2.1
77.70166	1.1
79.05502	9.9
81.07056	16.7
83.08614	4.1
85.10187	1.5
89.43258	1.4
91.05477	7.4
93.07048	10.5
95.04929	2.1
95.08607	20.8
97.06532	4.3
97.10159	4.2
98.20953	6.4
99.08088	2.7
101.15479	1.4
105.07039	10.8
107.08601	22.7
109.06542	3.6
109.10162	14.0
117.07017	2.3
119.08582	20.3
121.06520	3.2
121.10156	13.2
123.08010	2.1
123.11710	5.9
125.05992	6.7
125.09621	3.5
131.08575	5.8
133.10129	23.1
135.08026	3.5
135.11682	26.5
137.09575	2.6
139.07542	2.8
143.08533	3.4
143.10728	1.4
145.10115	11.7
147.08110	1.7
147.10742	1.7
147.11708	13.7
149.13283	4.6
151.11186	1.6
157.10130	1.9
159.08075	2.2
159.11708	6.0
161.09618	3.8
161.13295	7.1
163.14870	7.7
169.10202	3.5
171.11646	2.3
172.12256	2.3
173.09612	7.7
173.13261	3.1
175.11197	7.4
175.14832	1.5
177.09074	4.1
177.16371	2.0
181.04916	1.6
185.13226	3.1
187.11197	13.7
187.14854	10.0
189.12711	1.7
189.16370	45.6
190.16797	1.8
191.10736	4.0
197.13225	5.2
199.14909	1.9
201.16429	1.7
203.14262	1.3
203.17973	2.8
205.15891	4.9
207.17436	100.0
211.14825	2.5
213.16466	2.1
215.14308	18.1
215.17908	1.7
217.15875	2.2
229.15874	86.6
230.16286	1.9
231.17459	9.0
233.15372	32.7
243.17471	3.9
247.16924	29.9
249.18588	1.6
257.18958	2.2
283.20538	6.3
419.33218	2.6
437.34244	42.8
438.34393	1.9
444.39462	1.5
455.35269	94.7
456.35611	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	455.3519
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
50.56676	4.6
52.16982	4.5
55.05513	17.2
57.09517	4.5
67.05508	29.1
69.07062	20.4
71.08552	5.6
71.08884	10.4
79.05497	18.1
80.39894	6.1
81.07055	66.9
83.08640	9.7
91.05493	20.7
93.07045	53.2
95.08614	100.0
96.71731	5.1
97.10226	5.2
98.20894	6.7
105.07030	56.1
107.08601	66.4
109.06506	8.2
109.10155	45.4
111.08091	72.6
117.07020	10.0
119.08585	71.7
121.10152	52.9
123.11710	17.5
131.08580	23.8
133.10135	58.2
135.11716	30.1
137.13326	4.7
137.27173	4.9
139.11188	10.2
143.08632	5.7
144.58928	4.5
145.10150	34.5
147.11693	57.6
149.13274	47.4
153.09033	6.4
157.10124	8.4
159.11725	29.8
161.13255	42.4
163.14841	28.1
171.11678	9.5
173.13335	13.7
175.14777	27.7
177.16388	37.5
187.14807	25.3
189.16400	64.4
191.17993	19.6
199.14893	11.1
201.16405	35.0
203.17970	65.1
205.15823	10.6
207.17462	19.3
213.16481	11.5
215.17972	41.3
217.19463	8.8
219.17513	13.3
221.18993	11.2
227.17950	5.5
229.19554	11.1
231.17532	8.2
233.19026	6.2
235.16959	8.2
241.19621	5.3
243.21162	6.9
247.16994	8.0
249.18533	8.6
255.21172	10.4
257.22787	5.8
261.18530	13.8
261.22141	6.9
269.22678	5.5
301.21722	7.5
306.47952	5.4
313.25665	5.7
315.23062	5.4
391.33768	10.7
409.34625	65.2
419.32837	8.9
425.34134	11.7
437.34109	37.7
455.35184	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05497	4.0
57.03424	3.0
57.06828	1.8
57.07080	22.7
62.05789	1.4
62.06094	27.1
67.05518	5.1
69.07061	3.5
69.65812	1.9
69.66220	6.0
71.08283	1.2
71.08636	16.3
81.07069	7.2
83.08604	5.1
84.58321	1.0
85.10187	9.2
90.58413	0.9
93.07060	1.2
95.08621	8.5
97.10162	1.4
98.20918	3.1
98.21498	1.1
98.98476	5.4
105.07060	1.3
107.08583	2.4
109.10190	5.0
119.08584	3.7
120.08917	1.2
121.10146	2.5
123.11710	1.9
131.08533	1.6
135.11676	1.4
142.02693	1.4
145.10146	1.3
147.11676	2.0
155.01031	7.8
159.11676	1.2
161.13065	1.2
173.13222	1.2
176.56967	1.0
187.14854	1.7
201.16374	1.5
203.17838	1.4
213.16670	1.2
216.06331	2.4
239.23744	2.1
282.27878	12.0
313.27374	100.0
314.27676	2.0
393.23932	5.7
436.27911	2.0
436.32932	3.4
454.34128	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	455.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47350	1.1
60.58700	1.2
62.75934	1.3
64.96185	1.0
68.23164	1.0
71.56129	1.2
76.07545	1.2
97.02911	1.3
112.89606	8.4
119.01920	2.8
131.01923	4.2
137.01947	2.8
143.01900	5.1
143.14767	1.2
145.03387	1.3
152.02396	1.5
155.01970	2.0
161.02942	4.6
167.01894	1.6
173.02986	6.7
176.73962	1.2
185.02954	6.7
187.15738	1.4
197.03064	1.6
203.04048	6.4
215.03947	2.1
224.04453	2.0
245.05061	11.8
251.38615	1.2
263.06046	3.0
275.06036	4.0
293.06897	2.1
305.07291	1.8
308.03989	1.3
321.10330	1.9
365.09326	3.3
455.11615	100.0
456.11758	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37121	1.1
53.03961	1.4
55.05512	3.5
57.07065	1.4
67.05507	6.6
69.07071	4.0
69.38882	1.0
71.58736	1.6
79.05497	6.3
80.44769	1.1
81.07056	9.4
83.08624	2.8
86.67332	1.3
86.70483	1.2
88.07660	1.7
91.05478	8.2
93.07040	10.9
95.08591	7.9
97.06523	2.0
105.07021	11.3
107.08616	5.3
109.10171	5.2
117.07045	1.5
119.08575	5.8
121.10153	6.2
131.08594	4.6
133.10127	7.1
135.11710	3.3
137.06046	2.6
137.13216	1.3
143.08618	2.1
145.10109	3.3
147.11696	6.0
149.13269	2.0
153.01691	1.2
153.05510	4.6
155.07018	11.6
155.62265	1.6
157.10086	1.8
159.11717	3.1
161.13219	2.3
167.03453	3.3
171.11702	1.4
173.09673	2.1
173.13300	3.9
175.14873	1.6
177.05382	1.4
179.03403	5.4
181.04968	100.0
182.05252	1.8
187.14877	1.5
191.16393	1.2
197.04449	1.9
203.17943	6.5
205.15909	2.6
215.14180	1.3
233.08151	3.1
233.15460	5.6
256.44638	1.3
257.74973	1.3
259.20566	3.6
266.01514	1.3
299.07193	1.2
301.21573	2.6
437.26913	44.6
438.27084	2.3
455.28000	6.6
455.35217	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88771	1.7
55.05500	3.5
57.07096	2.3
67.05501	10.0
69.07064	3.3
70.18130	6.1
79.05495	8.4
81.07061	9.7
83.08615	3.0
88.07640	1.7
89.06037	1.6
91.05522	8.1
93.07042	10.2
95.08617	14.4
96.42755	1.8
98.21082	4.3
100.28716	1.6
105.07032	8.4
107.08601	8.9
109.06559	3.0
109.10168	7.1
119.08598	8.2
120.44751	1.7
121.10154	5.9
123.11734	3.6
131.08585	6.7
133.10118	13.3
135.11702	5.9
137.06004	2.5
143.08543	2.7
145.10088	3.5
147.11696	4.7
149.13298	3.1
153.05479	5.4
155.07074	11.1
155.08229	1.4
159.11737	2.8
161.13297	4.1
163.11205	2.0
171.11710	2.0
173.09602	4.3
173.13391	4.0
179.03424	2.6
181.04965	100.0
197.04584	2.2
203.17975	7.5
205.15904	6.6
205.59785	1.7
215.14430	3.2
233.07901	2.0
233.15408	6.1
259.20724	3.9
287.05414	2.0
301.21613	3.3
316.50815	1.8
359.46548	1.6
385.35681	1.8
409.34576	3.6
437.26898	47.8
437.33429	3.1
455.18701	3.1
455.27765	6.7
455.35043	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	454.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08671	1.4
52.17319	1.5
52.21944	1.3
53.03956	1.6
57.03446	2.0
61.45998	1.5
69.03422	5.2
70.06564	2.2
71.56494	2.5
79.01844	3.5
81.03400	8.0
85.02904	6.1
87.82138	1.6
97.02886	6.4
98.21148	1.8
98.89257	1.3
98.97590	3.6
99.04449	1.6
107.48721	1.4
109.02889	6.8
116.98613	1.8
123.04463	3.4
125.02354	4.0
127.03924	9.7
135.04370	1.6
139.03917	1.8
140.07127	2.1
143.03400	5.5
153.01839	100.0
154.02150	2.6
157.20169	1.5
161.01155	2.0
163.04041	1.7
171.02917	12.6
178.49393	1.4
219.01624	1.9
237.02759	3.1
253.86642	1.5
277.03537	2.7
278.03720	2.4
292.08914	2.1
297.06131	9.8
303.01376	4.4
304.01822	4.1
306.27228	1.6
315.07114	16.4
324.02313	2.0
372.02371	1.7
380.01199	3.1
394.99329	3.8
408.00696	4.1
437.01001	1.9
454.01126	3.6
454.09537	4.5
454.17374	2.5
475.07922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.1
53.03941	1.4
55.01855	1.1
55.05501	1.9
56.27437	0.7
60.96673	0.7
61.47447	0.7
65.10857	0.8
67.05505	1.3
69.03425	6.9
70.06583	1.0
71.04981	1.1
71.56553	1.4
75.61372	0.9
79.01853	3.1
79.05483	1.4
81.03419	8.6
81.07053	2.0
85.02917	7.3
93.07040	1.0
97.02895	5.5
97.03426	0.9
100.11246	2.2
105.07034	1.9
107.01312	1.3
107.08611	1.2
109.02871	6.3
109.06493	1.0
119.08584	1.5
125.02349	3.7
127.03911	10.4
132.04449	2.2
138.09143	1.2
143.03377	4.4
145.05009	1.9
153.01833	100.0
164.07082	1.1
165.07532	0.7
167.06984	1.1
171.02882	11.3
177.05428	1.2
178.04990	55.1
179.05336	1.5
192.56761	1.0
200.85052	1.0
290.15799	0.9
292.16287	1.1
297.05984	7.7
297.24496	0.8
303.04987	2.2
303.08353	1.0
315.07080	15.8
454.17593	1.1
454.34665	2.5
455.06195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01884	11.4
55.05500	2.5
57.03429	3.4
57.07062	8.1
61.02943	1.8
66.78108	1.6
67.05493	5.5
69.03432	10.5
69.07066	10.6
69.76307	1.9
69.76626	11.6
70.02961	4.8
71.04978	2.1
71.54716	1.8
71.73256	1.7
72.04518	23.7
73.02924	13.6
73.06548	5.6
74.02458	3.0
81.03425	21.0
81.07037	2.4
83.04983	5.6
85.02905	15.0
85.06548	8.5
86.09724	12.7
87.08099	3.4
90.05554	46.5
95.04962	10.0
96.08115	3.1
97.02903	14.6
98.02425	22.1
98.21116	6.2
99.04444	7.3
100.03975	6.9
101.06038	2.9
103.07594	3.2
105.07038	2.0
109.02886	29.5
111.04443	2.3
111.61233	2.0
113.05984	6.1
116.03466	24.9
123.04401	3.4
124.07600	25.7
127.03922	22.7
128.10693	3.2
131.07028	2.6
132.06554	8.3
134.58455	2.0
138.05505	2.6
139.03967	2.1
140.07086	2.1
140.60251	1.9
141.05482	2.4
142.08632	18.6
142.29041	1.9
144.06581	1.9
145.04967	6.5
149.18405	1.8
153.01822	6.1
156.10220	5.4
160.09698	7.9
166.08635	5.2
172.09648	5.7
174.11229	6.6
181.04985	2.8
184.09702	34.8
198.07639	4.9
199.05997	7.3
202.10753	100.0
203.11453	3.1
211.09645	6.7
216.08650	3.1
217.07071	7.5
220.11803	30.3
229.01903	2.1
230.10226	13.1
234.09715	10.3
246.11118	2.6
258.89883	2.1
262.12869	21.7
271.11786	9.1
292.11795	5.5
306.15604	2.2
310.12854	9.8
328.13925	64.0
346.14951	13.6
355.06107	1.9
364.16016	26.6
426.01611	2.1
454.13474	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.05511	16.6
57.07076	7.0
59.04987	3.1
59.09647	1.5
65.03946	1.8
67.05507	25.8
69.07071	20.1
70.19807	5.0
79.05490	25.2
81.03397	2.1
81.07063	59.4
83.04986	20.0
83.08604	10.5
91.05475	28.6
93.07048	48.0
95.05002	10.3
95.08610	85.5
97.06560	3.0
97.10173	6.3
97.69025	1.8
98.21034	4.2
99.08104	1.8
105.07034	66.9
107.08598	87.8
109.06527	7.9
109.10158	51.7
111.08115	5.6
117.06985	10.9
117.85492	1.8
119.08585	100.0
121.06492	2.5
121.10144	68.0
123.08073	7.9
123.11701	17.9
125.09651	10.0
129.07005	5.0
130.07744	3.3
131.08566	37.3
133.10133	72.7
135.08049	4.0
135.11681	30.3
137.09654	4.0
137.13283	3.9
141.07057	2.0
142.07729	2.3
143.08588	13.9
144.09351	7.3
145.10127	61.6
147.08026	2.3
147.11687	37.6
149.09630	2.7
149.13284	19.5
151.11232	6.7
153.09111	3.9
156.09343	3.1
157.10138	17.6
158.10895	3.3
159.11705	57.2
161.09647	4.6
161.13269	29.8
163.11195	4.7
163.14813	21.1
165.09175	3.6
169.10233	3.5
171.11678	14.3
172.12468	2.9
173.09499	1.8
173.13257	34.9
175.11246	3.5
175.13326	2.0
175.14832	38.3
177.12785	4.3
177.16380	33.8
183.11693	3.6
184.12497	2.1
185.13248	8.3
187.14821	62.4
189.12822	3.0
189.16386	64.2
191.14291	24.6
191.15918	2.3
191.16251	1.7
191.17961	18.8
193.15961	4.3
197.13271	3.6
199.14822	17.6
201.16385	69.1
203.14391	6.4
203.17964	42.7
205.15892	38.3
205.19655	4.5
207.17438	3.2
209.13150	1.7
211.14886	3.5
213.16388	30.0
215.14453	2.1
215.17955	29.1
215.19901	2.8
217.15927	12.2
217.19478	8.6
219.17455	33.8
221.15288	2.8
225.16389	2.1
227.18008	6.7
229.19580	3.9
231.17473	5.8
231.21017	2.0
233.19003	6.8
235.16895	13.0
239.17998	5.1
241.19505	7.6
243.17596	2.6
243.21062	3.3
245.22687	2.6
247.17001	10.2
249.18536	4.6
249.36574	1.9
255.21068	4.9
257.22711	3.3
259.17035	2.6
259.20538	2.1
261.18509	7.9
267.20905	9.4
269.22476	2.4
281.22406	2.2
283.24542	2.2
311.23999	2.4
379.33603	4.7
389.32074	9.8
407.33099	62.4
409.34808	10.6
423.32666	5.7
425.34232	4.9
435.32455	16.8
453.28003	2.4
453.33710	38.9
462.64059	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.6
53.03944	3.0
54.59069	1.3
55.01874	1.8
55.05513	20.1
57.07082	8.7
59.04994	2.0
65.03951	2.8
67.05506	30.5
69.03419	4.7
69.06718	1.7
69.07072	20.9
71.01400	3.1
71.04974	2.5
79.05499	24.3
80.05753	1.6
81.03458	2.4
81.07060	74.5
83.04990	21.1
83.08630	13.5
85.06544	3.4
91.05486	31.7
93.07051	49.8
95.04987	13.2
95.08610	91.8
97.06516	4.2
97.10161	5.9
103.05475	2.2
105.07036	79.9
107.08600	91.0
109.06512	5.9
109.10161	55.1
109.10912	2.0
111.08067	6.7
115.05450	2.0
117.07017	11.4
119.08585	100.0
120.08889	2.1
121.06483	3.8
121.10149	65.4
123.04391	2.6
123.08073	12.1
123.11717	27.4
125.05957	3.0
125.09615	9.7
128.06142	2.5
129.07005	7.9
130.06419	1.7
130.07805	2.2
131.07591	2.0
131.08577	40.0
132.09334	1.8
133.10136	70.8
135.08052	6.3
135.11703	29.4
137.09618	8.2
137.13281	4.9
139.07521	2.0
139.11176	2.0
139.33760	1.6
142.07768	3.2
143.08569	16.5
144.09349	4.4
145.10129	65.9
146.10715	1.6
146.23311	1.6
147.08038	3.0
147.11687	41.0
149.09613	5.5
149.13266	20.7
151.07497	2.1
151.11195	6.1
153.09102	4.1
155.08551	3.8
156.09340	4.3
157.10132	15.9
158.10889	4.1
159.11700	59.3
160.87306	1.5
161.09630	3.5
161.13266	34.4
163.07523	1.9
163.11198	6.7
163.14836	23.5
165.09157	2.8
165.12688	3.0
167.10698	2.8
169.10118	4.4
170.10905	3.9
171.11719	15.1
172.12405	2.7
173.13266	34.8
173.14688	2.8
175.07303	1.4
175.11208	4.0
175.14841	44.5
177.09105	2.1
177.12741	4.1
177.16393	31.0
179.10738	3.3
183.11691	3.8
184.12500	2.5
185.13310	7.0
186.14163	1.9
187.13138	3.1
187.14835	61.1
189.07306	1.4
189.12801	3.1
189.16394	68.7
190.16722	1.6
191.14314	23.8
191.15927	2.4
191.16251	2.0
191.17947	18.1
193.15883	6.0
195.11702	1.7
197.13316	5.1
199.14833	19.6
201.16394	69.9
203.14326	7.7
203.17969	49.5
205.15897	28.4
205.19594	4.9
207.17502	5.1
211.14861	2.5
213.16393	33.5
215.14467	2.6
215.17940	30.3
217.15952	11.3
217.19461	9.3
219.17450	36.4
221.15387	3.8
223.14851	1.8
225.16408	4.0
227.17897	8.7
229.15967	3.0
229.19539	4.2
231.17471	5.0
233.18997	4.1
235.16956	14.4
239.17975	4.0
241.19450	7.0
243.17224	1.5
243.21103	5.6
245.19048	3.8
245.22624	4.0
247.16843	7.7
249.18571	3.8
255.21092	6.3
257.22681	2.5
261.18524	7.8
265.19345	1.9
267.20917	9.0
269.22556	2.3
271.20502	2.1
283.20673	1.9
328.64749	1.6
379.33670	3.3
389.32138	12.9
407.33099	58.8
408.33459	2.3
409.34879	9.6
417.30283	1.6
423.32385	6.9
425.34253	3.3
435.32617	15.7
453.33810	31.2
454.34113	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03941	6.1
53.69968	2.9
55.05505	19.5
57.07063	9.0
65.62936	3.0
67.05503	34.9
69.07069	27.8
69.35368	3.2
71.44206	2.6
79.05493	30.1
81.07059	54.8
83.04994	7.0
83.08617	11.7
91.05484	29.7
93.07035	48.7
95.04974	6.0
95.08607	84.3
97.06522	3.4
97.10142	3.6
98.21273	25.3
103.05433	3.6
105.07036	66.5
106.11133	3.5
107.08596	81.0
109.06500	8.2
109.10163	47.3
111.08062	6.0
117.07027	12.5
119.08591	100.0
119.09442	5.7
121.10152	54.6
123.11754	17.6
125.09603	4.5
128.06258	4.1
129.06985	10.7
131.08559	37.8
133.10130	67.2
135.11700	19.5
137.09573	3.6
137.13281	4.5
139.07487	3.8
141.06953	5.3
142.07811	5.9
143.08603	21.5
144.09357	6.5
145.10136	61.0
147.08102	3.5
147.11697	40.1
149.09679	4.0
149.13263	17.6
155.07043	4.7
155.08485	6.9
157.10152	34.4
158.10907	3.3
159.11705	56.1
161.09569	6.6
161.13275	42.4
163.14856	16.1
165.09111	4.9
169.10138	8.9
170.10913	4.3
171.11723	23.1
173.13275	40.5
175.14825	50.5
177.09073	5.7
177.16377	18.2
179.14246	6.9
181.04968	18.5
181.10239	3.6
183.11667	13.6
185.13248	17.4
187.11281	3.8
187.14870	51.6
189.16368	36.1
191.14328	5.4
191.17932	6.0
193.15892	12.5
195.11702	5.5
197.13245	8.0
199.14816	25.0
201.16391	57.9
203.14308	5.3
203.17984	23.5
205.15857	11.8
207.17439	3.9
211.14883	7.9
213.16371	30.9
215.14496	4.2
215.17975	32.8
217.15881	12.7
219.17439	10.8
225.16275	4.9
226.19472	3.3
227.17921	15.0
229.19479	15.7
231.17413	10.8
233.08096	6.1
233.19083	5.0
235.16855	4.5
237.16508	5.7
239.17891	9.5
241.19502	13.2
243.20920	3.9
245.18936	4.6
247.16917	19.0
253.19446	7.0
255.21001	9.1
261.18503	7.4
265.19662	3.4
267.21185	7.6
273.18439	6.3
275.20297	3.9
279.21066	3.6
281.22998	3.7
293.22583	14.3
299.20062	7.4
311.23627	11.3
325.21609	5.8
379.26501	4.2
389.32147	30.1
407.33167	59.6
417.31747	4.0
435.25775	8.3
435.32620	99.2
436.33142	6.8
438.13046	4.4
453.15417	45.3
453.33716	93.7
454.16095	4.6
457.03375	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.05510	22.3
57.07072	11.0
67.05510	47.0
69.07074	21.6
69.24102	40.7
71.04972	4.2
79.05494	30.4
81.03411	5.1
81.07057	77.5
83.04993	24.0
83.08630	17.3
84.22024	3.2
85.02911	5.2
85.06558	4.0
91.05470	34.5
93.07055	64.9
95.04980	16.0
95.08040	7.8
95.08614	100.0
97.06547	6.7
97.10181	7.7
98.20753	6.4
98.21410	11.7
105.07043	76.5
107.08598	80.8
108.63206	3.8
109.06522	11.4
109.10159	50.9
111.08092	12.3
117.07018	9.7
119.08584	94.7
119.09441	4.7
121.10162	65.1
123.08092	6.5
123.11700	25.4
125.09618	13.1
129.06993	5.3
131.08574	34.3
133.10144	67.9
135.08038	4.7
135.11711	27.9
137.09596	6.3
137.13206	4.9
143.08530	20.1
145.10115	61.9
147.11710	38.1
149.09604	7.1
149.13245	24.5
151.11169	9.5
155.08597	5.2
157.10097	13.9
159.11708	52.7
161.13274	28.2
163.11237	7.0
163.14857	23.6
169.10133	4.4
171.11720	14.9
172.12498	3.7
173.13261	37.4
175.14876	37.0
177.16342	25.9
183.11681	6.2
184.12407	3.8
185.13193	3.7
187.13176	5.0
187.14815	59.2
189.16385	50.8
191.14311	13.7
191.17935	12.4
193.12260	7.7
193.15977	9.4
197.13435	5.6
199.14847	16.8
201.16385	65.2
203.17967	34.4
205.15955	16.7
213.16426	41.7
215.17952	28.7
217.15950	9.5
217.19557	16.5
219.17448	23.1
227.17947	6.5
231.17363	7.0
233.19098	6.5
235.16985	4.3
241.19540	12.4
243.21162	6.7
245.22777	4.9
247.16895	4.6
253.19522	5.2
261.18570	7.8
267.21033	18.8
271.24374	4.0
389.32074	11.6
407.33148	44.1
409.34601	16.0
435.32751	16.4
453.28952	4.6
453.33774	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.42251	1.6
53.03947	1.8
55.05283	2.0
55.05516	9.8
57.07049	2.3
58.32423	1.7
67.05522	12.5
69.07074	16.5
69.16335	1.7
69.42928	1.7
69.80796	5.7
69.81210	4.2
69.91412	2.0
71.05000	2.8
79.05479	12.7
81.07054	24.7
83.04968	2.0
83.08601	4.8
91.05484	13.1
93.07043	24.7
95.08613	35.8
95.09228	2.1
97.06577	1.9
97.10162	3.6
97.26402	1.7
98.21020	5.0
98.53770	1.9
105.07039	31.1
107.08601	33.0
109.06536	2.6
109.10160	22.0
117.07011	7.3
118.64710	1.8
119.08584	56.2
121.10156	29.9
123.08083	4.2
123.10947	2.2
123.11703	10.0
125.05990	2.7
128.06151	2.7
129.07048	4.3
130.07838	2.0
131.08566	17.5
133.10135	34.4
135.08028	3.9
135.11694	13.9
137.09637	3.0
137.13214	2.2
139.03996	1.6
142.07829	3.1
143.08565	8.8
145.10118	31.0
147.08006	2.1
147.11691	25.2
149.09601	3.9
149.13295	11.5
153.09082	2.3
155.08598	2.2
156.09296	3.1
157.10107	17.7
159.11688	24.1
161.09634	2.3
161.13268	25.9
163.14784	11.5
169.10127	6.1
170.10919	4.2
171.11697	15.0
172.12561	2.1
173.13278	24.6
175.11198	2.1
175.14835	35.4
177.12762	2.2
177.16457	8.0
179.14377	4.9
181.10133	2.5
183.11711	3.4
185.13266	6.7
187.14801	32.4
189.16389	27.9
191.14317	7.8
191.18050	2.7
193.12244	2.2
193.15852	10.8
197.13336	5.4
199.14819	21.5
201.16396	32.9
203.14255	3.4
203.17940	19.0
205.15984	5.6
205.19507	2.9
207.17377	3.2
209.13454	2.4
211.14836	5.0
213.16365	22.8
215.17941	16.2
217.15903	7.9
219.17426	9.4
221.15555	3.4
225.16455	3.6
227.17955	8.7
229.19540	15.6
231.17488	7.4
235.16934	3.2
237.16620	2.0
239.17973	3.4
241.19571	6.6
243.17586	2.2
243.21127	2.3
245.19122	2.1
247.16960	8.3
249.14966	2.3
249.18602	4.6
251.18192	3.3
253.19522	4.8
257.18982	2.8
259.16895	2.4
261.18561	2.1
265.19379	2.5
267.21057	3.7
275.20242	5.8
279.21112	2.0
281.22665	2.0
285.18469	2.2
287.20081	2.0
313.27432	2.3
321.26169	2.8
389.32013	12.0
407.33118	25.5
411.29141	3.8
435.26639	3.7
435.32648	55.4
436.33154	3.1
453.33728	100.0
454.34076	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03943	5.4
55.05516	15.1
57.07069	6.5
57.42876	2.4
67.05220	2.3
67.05510	29.2
67.89284	2.3
69.03415	3.8
69.07069	20.1
69.35142	15.7
69.35564	6.1
79.05490	25.0
81.07056	60.3
83.04983	14.4
83.08588	12.0
91.05461	27.6
93.07050	54.9
95.04968	8.8
95.08607	84.7
97.06493	4.0
97.10175	4.8
98.21121	11.7
105.07030	73.7
107.07854	5.0
107.08594	95.1
109.06480	12.0
109.10153	59.9
109.10749	1.3
109.10898	2.4
111.08069	16.7
112.49162	2.8
115.05344	2.3
117.07001	15.4
119.08578	100.0
121.09302	4.2
121.10145	62.4
123.08040	3.7
123.11708	23.7
125.09594	7.3
129.07002	6.6
130.07806	3.1
131.08577	33.5
133.10129	58.2
135.07980	2.5
135.11696	32.6
137.09576	4.7
137.13283	5.8
139.07526	3.7
139.11177	5.1
142.07762	3.1
143.08566	20.3
144.09337	4.2
145.10124	76.0
145.11276	3.8
147.11690	39.9
149.13269	24.7
150.85083	2.4
151.11197	4.9
153.09131	4.5
155.08513	6.1
156.09328	7.2
157.10136	21.4
158.10866	3.5
159.11688	57.9
161.13251	37.6
163.11139	3.3
163.14836	14.4
165.12749	3.1
169.10092	10.4
171.11697	26.7
173.13242	34.7
175.14832	38.7
177.16347	17.8
183.11679	11.1
185.13275	12.4
186.14119	3.0
187.14825	49.6
189.12744	3.5
189.16379	55.6
191.14296	10.2
191.17899	13.8
193.15883	6.7
197.13283	13.1
199.14825	25.6
201.16380	75.7
203.14313	5.3
203.17896	25.2
205.15871	10.0
209.13284	3.8
211.14828	6.8
213.16367	35.5
215.17969	27.3
217.12230	3.2
217.15941	15.9
217.19456	7.0
219.17487	32.8
225.16365	6.8
227.17984	8.4
229.19496	4.8
231.17491	7.8
233.19240	6.3
235.16943	13.7
237.16406	3.3
239.17917	7.9
241.19547	26.9
243.21063	11.8
247.16853	12.0
253.19499	7.6
255.21024	9.0
259.17026	3.3
259.20737	3.7
261.18527	5.9
265.19418	3.9
267.21143	17.5
269.22522	6.8
279.20901	3.2
281.22690	2.9
285.18466	8.7
287.19843	5.5
293.22592	5.3
299.19989	4.9
307.24356	3.0
311.23621	5.8
313.21530	4.8
349.29132	3.6
389.32178	19.0
395.29413	7.3
407.33087	63.1
409.34625	3.9
423.32425	6.8
435.32657	31.8
453.33725	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3362
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03937	3.2
55.05507	11.5
57.07071	7.8
65.03927	1.8
67.05505	27.5
69.06761	2.0
69.07072	18.6
69.66684	2.3
69.67096	6.8
79.05489	11.9
81.07058	73.4
81.82669	1.6
83.08598	9.8
91.05472	11.7
93.07048	21.4
95.04955	3.5
95.08605	100.0
97.10165	6.7
98.20948	5.4
105.07041	23.4
107.08594	21.9
109.06510	2.8
109.10155	37.1
111.08064	3.0
111.11686	2.1
117.06988	4.6
119.08575	23.6
121.10146	17.1
123.11713	37.1
129.06985	4.4
131.08586	11.3
133.10124	19.7
135.11688	14.2
137.13257	50.0
143.08551	6.5
145.10135	14.5
145.60486	1.7
147.11688	15.5
149.13275	12.6
149.84204	1.9
151.14828	5.5
155.08566	5.7
157.10114	11.6
159.11668	13.0
161.09593	4.4
161.13249	12.5
163.14871	5.4
165.12761	1.7
167.08571	3.5
169.10149	8.2
170.10904	1.6
171.11687	10.1
173.13239	11.4
175.11192	1.7
175.14767	8.4
177.16339	3.7
179.17940	9.8
181.10054	3.7
183.11722	7.0
183.13971	1.5
185.09766	2.0
185.13266	5.5
187.14812	7.3
189.16388	3.8
191.17979	3.8
191.72057	1.6
195.11662	3.8
197.13235	7.7
199.14835	9.0
201.12715	2.9
201.16386	5.4
203.17900	3.0
209.13312	6.7
211.14851	5.8
213.12868	4.4
213.16437	5.6
215.14368	2.0
215.18040	4.9
217.15900	5.9
219.17477	3.6
223.14857	2.6
227.14352	6.6
227.17929	3.6
229.15930	4.9
229.19540	6.9
231.13606	1.7
237.16266	4.0
239.17978	6.0
241.19524	5.7
251.17882	2.7
253.19518	3.9
255.13736	2.2
255.17406	3.2
255.21210	2.9
257.19089	6.1
265.19476	3.2
267.21112	6.6
269.19055	2.9
273.14886	5.5
273.18555	1.8
275.20251	1.7
283.20453	2.1
287.19904	2.3
293.22614	3.0
301.18054	1.8
301.21463	2.4
311.23541	2.1
313.21539	2.6
389.32013	14.4
407.27780	2.2
407.33102	37.3
408.32983	2.5
435.32639	23.6
436.32565	1.9
453.33643	92.3
454.33984	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.4
57.07068	4.1
67.05516	23.9
69.07072	15.1
70.60828	12.7
73.78519	3.4
79.05493	17.4
81.07061	61.0
83.04990	25.9
83.08600	10.7
91.05482	35.5
93.07046	49.0
95.05016	5.4
95.08605	85.4
95.09167	7.4
105.07033	74.5
105.13496	4.1
107.08598	85.7
109.06538	7.2
109.10155	45.2
111.08080	8.6
117.07030	10.1
119.08588	100.0
121.10134	62.1
123.08056	5.4
123.11693	21.7
125.09623	7.3
129.06981	6.7
131.08575	33.3
133.10133	61.3
135.11725	27.3
137.09547	4.6
143.08568	17.0
144.09311	4.2
145.10132	74.8
146.65715	4.6
147.11667	35.9
149.13252	20.5
151.11180	4.2
157.10173	12.5
158.10931	7.9
159.11700	61.5
161.13242	31.0
163.14845	15.4
169.10100	5.3
171.11708	9.8
173.13242	37.0
175.14827	41.5
177.16391	19.0
185.13304	5.4
187.14835	62.7
187.16414	5.0
189.16393	70.8
189.18059	5.5
191.14294	23.4
191.17949	21.6
193.15868	4.7
196.49663	4.1
197.13210	5.7
199.14864	20.6
201.16376	75.7
203.14302	5.6
203.17926	22.4
205.15901	41.8
207.17386	6.1
211.44112	4.1
213.16380	31.1
215.17972	41.8
217.15883	14.7
217.19444	7.8
219.17412	42.5
227.17934	7.6
229.19650	5.0
231.17458	8.6
233.18996	7.6
235.16928	20.5
241.19621	7.9
247.17012	11.0
255.21201	9.0
261.18567	15.2
267.21133	14.3
279.21228	4.7
283.86087	4.1
389.31787	10.2
407.33102	82.4
408.33344	5.1
409.34583	8.3
435.32556	19.3
449.07986	4.6
453.33618	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	453.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23276	1.8
55.05513	23.2
57.03445	2.5
57.07075	26.5
61.57881	1.7
67.05505	34.8
69.03444	1.8
69.06725	2.6
69.07071	38.5
69.89366	3.7
69.89770	5.9
70.82819	1.7
71.04988	3.0
71.08630	18.9
72.93806	2.1
79.05493	15.1
81.07060	45.8
83.08620	26.9
85.06512	2.0
85.10188	6.0
91.05476	13.9
93.07050	18.3
95.04992	2.8
95.08609	43.1
97.06556	3.9
97.10174	17.0
98.21568	2.3
105.07045	9.8
107.08585	13.3
109.06506	4.2
109.10152	22.5
111.08100	2.0
111.11725	7.9
117.07002	3.4
119.08569	16.9
121.04973	1.7
121.10158	9.8
123.08051	5.9
123.11720	11.2
125.09626	2.0
125.13320	3.8
131.08588	4.4
133.10146	14.0
135.11713	7.8
137.05995	13.6
137.09557	4.3
137.13260	3.7
139.07562	2.8
140.04651	2.2
140.59508	1.7
141.12737	6.8
145.10104	6.5
147.11688	8.4
149.09711	1.9
149.13264	3.7
151.07556	7.6
151.11191	3.7
155.07039	100.0
155.14323	5.5
157.10039	2.9
159.11642	2.7
161.13239	6.5
163.14828	4.9
165.12717	3.4
165.16432	1.8
167.07047	14.0
167.14241	1.9
173.13184	3.3
175.07614	3.5
175.14844	5.6
178.06265	1.9
179.06982	1.9
179.14374	3.2
181.04959	39.1
183.11786	2.2
187.14798	2.6
189.16373	7.9
193.15938	2.7
197.13326	2.3
203.17967	2.5
205.15700	2.0
207.17485	2.3
226.96402	2.0
233.08139	3.8
245.22678	12.1
253.25130	3.4
263.23642	11.1
281.24734	4.1
299.25748	7.6
407.33163	4.3
411.25317	2.7
417.29803	3.3
435.32498	6.0
453.13538	28.4
453.26321	4.2
453.33609	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.44090	4.1
51.04493	4.3
53.03925	6.4
55.05505	26.1
57.07065	6.9
57.93517	5.7
60.64618	5.8
64.30303	4.6
65.03866	4.0
67.05501	55.9
69.03416	8.4
69.07065	35.9
71.04967	5.4
71.57958	7.6
79.05499	37.4
81.03438	11.2
81.07063	100.0
83.04962	14.2
83.08604	15.1
85.06506	9.8
91.05484	39.2
93.07043	69.0
95.04942	9.5
95.08616	87.4
95.59665	4.6
97.06513	6.7
100.25876	4.5
102.76596	6.0
105.07030	71.1
107.08588	76.5
109.06534	9.2
109.10162	58.8
111.08098	18.0
113.68944	4.7
117.07018	9.0
119.08578	79.6
121.06457	7.3
121.10136	60.0
123.08070	9.2
123.11706	23.3
125.09605	6.7
129.07004	13.4
129.13600	4.7
131.08554	36.4
133.10124	60.8
135.08046	6.8
135.11687	39.3
137.13290	7.7
139.07442	4.6
139.11118	11.2
139.62939	4.4
143.08549	22.8
145.10127	66.7
147.08099	5.9
147.11710	48.6
149.09601	5.2
149.13275	30.1
151.11197	6.7
153.09135	6.3
157.10136	27.5
159.11717	43.1
161.13263	30.3
163.11230	5.5
163.14807	13.9
165.12683	6.7
167.68062	4.9
169.10121	14.4
171.11685	27.2
173.13255	32.1
175.14803	39.0
177.16386	15.0
183.11676	15.2
185.13229	19.8
187.14760	27.8
189.16385	28.4
190.28439	4.7
191.14380	4.7
191.17943	8.6
193.12291	10.6
197.13158	13.0
199.14813	20.1
201.16370	38.5
203.17943	17.4
205.15883	9.9
207.17297	6.0
209.13281	7.8
211.13211	5.7
211.14993	5.7
213.16386	17.5
215.14368	5.3
215.17967	14.4
217.12350	5.9
217.15845	11.7
219.17407	11.3
224.15678	4.8
225.16423	5.8
227.17874	11.6
229.19424	7.4
231.17441	10.5
239.17946	11.0
241.19547	18.2
243.21028	6.5
245.15445	6.1
247.16930	13.3
253.19386	11.3
259.20657	5.1
265.19397	4.9
267.21082	8.9
267.29623	5.5
268.92639	4.4
273.18390	6.1
279.21301	5.7
285.18451	7.0
287.20059	4.8
311.23679	9.9
313.21417	5.2
319.15717	5.6
350.70914	5.4
389.31915	10.5
395.29575	5.7
407.00159	5.4
407.33041	50.4
435.27667	5.2
435.32764	43.2
453.01175	5.4
453.28534	14.1
453.33914	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19554	2.1
51.13215	2.3
55.01876	7.0
55.05514	33.1
57.03436	2.5
57.07078	65.9
59.04993	8.1
60.21271	2.4
65.03914	2.7
67.05502	41.0
69.03437	9.7
69.07074	48.7
69.45721	18.3
71.04996	12.2
71.08627	7.6
73.06558	4.2
76.61098	2.2
79.05494	22.7
81.07059	100.0
83.04982	57.8
83.08620	26.8
85.06548	51.9
87.04481	14.9
91.05492	16.6
93.07052	54.9
95.04961	5.7
95.08607	97.1
97.06529	16.1
97.10177	23.8
98.20985	10.3
99.04472	3.8
99.08090	6.2
101.02383	13.6
105.07028	49.7
107.08602	66.6
109.06529	18.0
109.10157	55.8
111.04448	5.3
111.08087	9.4
111.11716	9.1
113.06053	4.5
115.07573	8.1
119.08568	33.4
121.06512	3.9
121.10139	42.6
123.08063	19.7
123.11721	36.3
125.05917	2.9
125.09629	15.0
127.07596	4.5
127.11164	3.1
131.08572	7.7
133.10126	25.6
135.08067	5.4
135.11688	28.5
137.09631	12.8
137.13260	15.7
139.07582	4.6
139.11183	8.0
143.06932	3.2
143.08553	2.6
145.10153	18.9
147.11682	30.7
149.09572	5.9
149.13248	27.0
151.11197	18.2
151.14856	5.8
153.12749	8.9
157.10117	5.4
159.11693	11.9
161.13217	17.5
163.11206	4.7
163.14886	9.6
165.12778	10.7
171.11720	10.5
173.13290	9.3
175.14841	16.3
177.12756	3.3
177.16307	5.5
179.14264	2.6
181.12297	3.2
185.13347	5.1
187.14812	4.4
189.12781	3.4
189.16455	7.3
191.17914	6.7
195.17496	3.3
199.14847	4.4
201.16429	8.3
203.17975	12.7
205.19557	2.5
209.19106	2.9
213.16333	2.8
215.17972	4.4
217.16074	3.5
217.19540	16.5
219.17549	2.7
221.19083	3.3
227.17967	6.8
229.19444	3.6
231.21214	3.6
235.20552	20.8
245.19063	9.5
249.22208	7.1
263.20038	35.6
273.22058	3.0
273.25781	6.7
277.21646	15.3
283.23953	3.7
291.23288	8.7
291.26489	4.5
295.22705	6.8
301.21863	5.1
301.25241	6.0
309.24301	13.3
317.24850	2.7
319.22641	7.6
319.26169	33.0
331.29959	4.4
333.27859	8.4
337.23901	5.1
337.27554	3.7
347.29355	3.8
349.31036	3.0
350.07593	2.6
351.29193	3.2
357.27869	7.5
375.28979	16.2
379.28314	3.5
393.30029	37.9
411.31238	15.8
435.31644	4.0
453.31943	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	453.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
55.01865	7.4
55.05513	28.7
56.68214	2.9
57.03416	8.8
57.07069	7.4
65.03935	4.0
67.05509	58.7
69.03418	13.0
69.07054	18.7
71.04987	14.7
71.57907	3.2
79.05492	40.5
81.03412	15.1
81.07055	100.0
83.04990	19.6
83.08613	16.4
83.66675	3.5
85.02911	8.2
85.06524	12.7
91.05488	46.3
91.83325	3.8
93.07042	44.4
95.04964	20.2
95.08611	50.5
97.02879	6.6
97.06522	14.0
97.10165	6.9
98.21181	4.1
99.04473	4.4
103.05495	4.3
105.07024	55.3
107.04946	11.0
107.08593	45.5
109.06519	14.2
109.10155	34.9
111.08067	11.5
112.02241	4.4
117.07017	10.5
119.08590	38.5
121.06485	11.7
121.10139	35.2
123.04419	22.8
123.08067	11.7
123.11699	19.3
125.05988	21.0
125.09615	9.4
127.03912	20.4
129.06999	9.1
131.08562	35.4
133.06480	7.3
133.10146	35.5
135.08101	7.6
135.11668	16.2
137.06068	4.9
137.09610	6.9
139.03909	14.5
139.11168	8.3
143.08565	9.7
145.10095	21.9
146.10475	3.8
147.08043	4.4
147.11694	26.0
149.09607	11.1
149.13251	12.9
151.07526	7.0
151.11201	7.6
153.01825	30.0
156.09335	4.2
157.10117	6.6
159.08049	4.3
159.11693	20.6
161.09621	8.6
161.13255	10.7
163.03938	5.5
163.11232	5.9
163.14766	6.3
165.09126	15.0
165.12787	5.6
167.07059	4.5
167.10617	8.4
169.08575	5.6
169.10110	3.6
171.11720	11.7
173.13255	11.9
175.11267	7.1
175.14854	12.1
177.16417	6.2
179.10722	5.8
183.11694	4.3
185.13277	6.4
187.11072	4.1
187.14809	11.0
189.12778	6.6
189.16344	6.8
191.18004	6.0
193.08582	4.6
193.12247	14.1
195.10172	4.9
197.13342	5.3
199.14838	6.9
201.16402	9.7
211.13240	5.6
211.14951	4.5
213.16490	6.5
219.17653	4.0
223.14871	3.9
227.14514	4.3
229.15857	4.9
231.17496	5.6
247.16884	13.3
254.83835	3.4
255.17387	4.6
257.77304	3.9
273.18539	15.2
282.15140	4.5
291.19568	4.9
295.20044	3.4
381.28140	4.8
417.30057	7.2
453.28839	16.7
453.34003	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	453.2483
Annotation	Ajubractin E
Peak:m/z	Relative Intensity
53.03933	9.4
55.01865	7.4
55.05513	28.7
56.68214	2.9
57.03416	8.8
57.07069	7.4
65.03935	4.0
67.05509	58.7
69.03418	13.0
69.07054	18.7
71.04987	14.7
71.57907	3.2
79.05492	40.5
81.03412	15.1
81.07055	100.0
83.04990	19.6
83.08613	16.4
83.66675	3.5
85.02911	8.2
85.06524	12.7
91.05488	46.3
91.83325	3.8
93.07042	44.4
95.04964	20.2
95.08611	50.5
97.02879	6.6
97.06522	14.0
97.10165	6.9
98.21181	4.1
99.04473	4.4
103.05495	4.3
105.07024	55.3
107.04946	11.0
107.08593	45.5
109.06519	14.2
109.10155	34.9
111.08067	11.5
112.02241	4.4
117.07017	10.5
119.08590	38.5
121.06485	11.7
121.10139	35.2
123.04419	22.8
123.08067	11.7
123.11699	19.3
125.05988	21.0
125.09615	9.4
127.03912	20.4
129.06999	9.1
131.08562	35.4
133.06480	7.3
133.10146	35.5
135.08101	7.6
135.11668	16.2
137.06068	4.9
137.09610	6.9
139.03909	14.5
139.11168	8.3
143.08565	9.7
145.10095	21.9
146.10475	3.8
147.08043	4.4
147.11694	26.0
149.09607	11.1
149.13251	12.9
151.07526	7.0
151.11201	7.6
153.01825	30.0
156.09335	4.2
157.10117	6.6
159.08049	4.3
159.11693	20.6
161.09621	8.6
161.13255	10.7
163.03938	5.5
163.11232	5.9
163.14766	6.3
165.09126	15.0
165.12787	5.6
167.07059	4.5
167.10617	8.4
169.08575	5.6
169.10110	3.6
171.11720	11.7
173.13255	11.9
175.11267	7.1
175.14854	12.1
177.16417	6.2
179.10722	5.8
183.11694	4.3
185.13277	6.4
187.11072	4.1
187.14809	11.0
189.12778	6.6
189.16344	6.8
191.18004	6.0
193.08582	4.6
193.12247	14.1
195.10172	4.9
197.13342	5.3
199.14838	6.9
201.16402	9.7
211.13240	5.6
211.14951	4.5
213.16490	6.5
219.17653	4.0
223.14871	3.9
227.14514	4.3
229.15857	4.9
231.17496	5.6
247.16884	13.3
254.83835	3.4
255.17387	4.6
257.77304	3.9
273.18539	15.2
282.15140	4.5
291.19568	4.9
295.20044	3.4
381.28140	4.8
417.30057	7.2
453.28839	16.7
453.34003	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	453.1394
Annotation	Leucopelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03443	1.9
69.03423	0.5
71.30040	0.6
79.01872	0.3
79.05469	0.3
81.03437	0.8
83.04935	0.3
85.02908	15.5
85.06514	0.3
86.34486	0.2
95.04989	0.4
97.02898	0.6
100.94075	0.2
109.02915	0.3
118.15893	0.3
122.02383	0.3
123.04433	1.9
123.91750	0.2
127.03899	0.5
139.03909	1.4
139.05034	4.7
140.03445	4.0
147.04402	0.6
149.66139	0.3
153.01834	6.9
153.02829	0.3
154.04994	0.3
163.03964	0.8
165.05408	0.3
167.03368	1.5
177.05586	0.3
181.04955	0.4
187.03889	0.4
192.04166	3.4
203.07057	0.8
205.04878	0.4
206.05736	2.0
207.06540	18.0
231.03043	0.3
231.06543	1.5
232.07324	1.1
245.08092	0.6
247.06017	0.4
276.06284	1.2
277.03485	1.5
291.08636	100.0
292.08990	1.8
298.73209	0.3
307.02286	0.4
323.01785	0.8
363.00992	0.4
370.60294	0.3
379.00763	0.7
403.52032	0.3
407.00296	1.2
434.99683	0.3
453.00549	2.4
453.10785	0.8
453.18497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77298	0.3
53.03924	0.5
55.01874	0.3
55.05503	0.4
57.03432	0.5
69.03410	0.5
69.76615	1.5
71.01353	1.3
73.02917	1.6
75.89693	0.2
79.01878	0.3
83.01357	0.2
85.02424	0.4
85.02905	3.9
91.05468	0.3
95.01337	0.8
95.04964	0.6
97.02882	0.8
98.20795	0.5
99.00818	0.2
100.11247	1.4
101.02376	0.5
103.03931	0.4
103.05473	2.6
107.04979	0.3
109.02856	0.4
111.04433	0.4
113.02367	1.0
119.04931	0.5
123.04415	2.7
127.03913	0.5
131.03421	1.3
131.04904	1.6
135.04436	1.0
139.03888	2.6
139.05026	1.2
140.03432	1.0
140.07077	0.7
141.01823	2.3
147.04402	1.5
153.01811	2.2
157.02838	0.3
159.02945	0.4
159.04398	0.7
159.90308	0.3
161.05986	0.3
163.03920	1.6
165.05444	0.5
175.03885	2.1
177.05386	0.3
185.02396	0.6
187.03915	17.3
188.04259	0.5
191.03432	0.4
198.44099	0.3
202.02568	0.4
203.03416	3.9
205.05028	0.5
207.06586	0.6
213.01852	1.0
215.03392	17.8
216.03973	0.7
219.02942	0.4
227.17479	1.2
230.02132	2.1
231.02896	13.0
231.79327	0.3
232.03310	0.3
233.04495	0.4
241.01332	1.0
259.02386	23.3
260.02789	0.3
262.28116	0.2
267.02850	0.3
273.07556	0.6
273.12152	0.3
275.01999	0.3
276.02744	0.5
277.03436	100.0
278.03769	2.1
283.05923	0.3
291.08679	3.5
291.11890	0.3
291.13400	0.6
301.03561	0.4
301.06931	0.4
316.72177	0.2
319.04471	0.7
323.01804	0.7
351.01160	0.5
361.38568	0.3
363.01285	0.4
379.00778	0.9
407.00519	1.3
425.01639	0.3
453.00815	1.5
453.10474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
53.03933	0.9
54.68783	0.5
69.03403	2.3
69.28351	5.3
78.03419	2.1
79.01855	3.7
81.03427	9.0
84.08129	0.8
85.02908	3.2
94.02918	1.0
97.02898	2.9
98.21348	2.2
99.04408	0.7
107.01302	1.5
109.02867	4.3
121.26629	0.5
122.02390	3.2
122.03156	0.5
123.04421	3.3
125.02365	3.2
127.03936	3.6
132.08403	0.7
135.04413	0.5
139.03989	5.2
139.05022	100.0
140.03430	82.3
140.04276	1.4
141.03746	0.6
143.03398	5.4
147.04439	0.7
151.03978	0.7
153.01834	97.8
163.03937	1.5
165.05531	1.0
171.02892	6.1
172.29292	0.5
192.77087	0.5
207.06685	0.6
273.12210	0.8
274.03552	0.7
277.03729	0.6
291.08820	1.2
291.13443	1.4
297.06061	7.3
315.07010	3.2
379.00980	0.5
407.00439	1.0
453.01041	2.0
453.11377	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48902	5.5
55.05509	11.3
56.81419	6.1
57.07072	29.7
67.05506	19.0
69.07062	31.9
69.28630	48.4
69.29033	12.6
71.04987	12.1
72.47110	5.8
79.05502	34.1
81.07055	35.9
81.07485	6.4
85.06561	29.6
89.06013	12.5
91.05485	25.4
93.07049	83.3
95.04975	7.0
95.08607	32.3
97.06529	40.0
98.21086	31.6
104.15488	6.5
107.08620	8.9
109.10166	20.0
119.08578	15.6
121.06523	17.0
121.10126	11.2
123.11716	14.9
133.08568	15.1
133.10114	8.2
135.11644	7.8
137.13315	6.8
139.07541	45.2
157.08516	7.6
159.11749	9.0
165.06779	6.7
169.08722	6.3
198.93651	6.7
228.52885	6.5
239.14960	8.1
261.22043	8.5
333.31430	12.6
361.30878	8.4
379.32474	7.4
389.30362	39.8
407.31604	100.0
435.31760	7.3
452.23297	6.4
452.37363	25.6
453.33282	6.9
464.93066	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	452.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	2.1
55.05502	5.9
57.07079	33.6
59.86023	2.0
67.05501	5.0
69.07082	11.2
69.30045	2.2
71.58579	3.1
73.19609	2.0
74.09711	4.2
78.55568	2.1
79.05478	3.1
80.47219	1.9
81.07037	10.0
83.01352	3.8
83.08633	3.3
85.06543	20.4
89.06018	5.0
93.07043	2.7
95.08604	17.4
104.76311	2.1
105.06995	6.3
107.08585	3.0
109.06522	2.1
109.10156	7.8
111.37023	2.4
119.08542	2.4
123.08052	2.8
123.11720	8.1
125.05961	2.6
127.03905	4.3
131.08466	2.7
133.08559	3.2
133.10103	3.8
135.11749	2.4
137.05957	4.7
137.09573	3.8
151.07628	2.2
161.13330	2.7
165.09123	3.5
183.10150	5.1
193.12181	2.3
197.11639	2.6
211.13329	3.0
225.14835	2.5
239.14839	4.1
253.18056	5.4
267.19632	4.2
284.80078	2.5
323.25757	13.9
365.56061	2.2
389.30560	11.4
393.01517	2.3
407.31564	100.0
452.34628	3.1
454.41553	2.3
467.82986	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	452.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.8
57.07074	31.0
62.01198	3.1
62.36615	2.6
65.30833	2.7
67.05485	5.6
68.87798	2.5
69.07066	9.8
71.49302	3.4
71.49644	4.1
81.07049	11.3
83.01338	4.6
83.08614	4.6
85.06557	21.9
89.06026	7.4
95.08614	20.0
97.10133	4.1
98.21278	3.3
107.08579	2.7
109.10151	9.4
120.45058	2.8
121.76299	2.8
123.11714	4.7
125.05951	3.0
125.36138	2.8
133.08580	3.3
137.05940	5.6
137.09650	4.3
137.13268	3.9
143.34598	2.7
151.07533	3.7
160.74570	2.5
165.09081	4.1
169.08546	3.6
183.10182	5.2
236.17778	2.9
255.15936	3.7
267.19443	4.5
323.25778	20.3
333.24210	3.7
389.30573	11.0
407.31573	100.0
453.17178	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	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05515	12.1
57.14387	4.9
67.05520	13.5
69.07072	8.9
69.77912	15.6
69.78303	12.5
79.05491	20.4
81.07067	40.7
83.08630	6.5
89.06023	6.1
91.05477	25.2
93.07042	26.1
95.08619	46.4
98.20958	12.7
105.07013	39.6
107.08596	27.2
109.10186	12.3
117.07055	6.0
119.08586	40.2
119.44894	4.9
121.10149	19.8
129.07018	8.9
131.08582	30.8
133.10144	22.3
135.11700	12.7
141.07022	5.3
143.08578	6.2
145.10129	18.4
147.11646	12.1
149.13242	13.8
153.05479	5.3
155.08562	7.6
157.10074	7.8
157.61456	6.1
159.11652	13.8
161.13228	8.9
169.10112	10.0
171.11658	11.5
173.13269	7.3
175.14868	34.9
177.16423	10.0
181.04990	9.4
187.14896	13.7
189.16403	6.9
195.11955	8.0
197.13301	12.4
199.14815	12.1
201.16359	11.6
211.14845	12.2
213.16417	21.9
215.14439	8.1
221.13164	6.7
225.16351	6.4
229.15862	6.6
233.08063	25.4
239.17972	10.1
247.09665	11.8
285.18604	6.6
291.21082	6.2
293.22571	7.0
339.23160	17.0
387.30429	19.5
405.31720	28.9
433.31213	49.3
451.20889	12.6
451.27548	38.3
451.32083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.342
Annotation	Stellattasterenol
Peak:m/z	Relative Intensity
51.59221	1.8
51.96531	1.8
55.05503	8.5
57.07066	3.4
67.05502	11.7
69.07061	7.9
71.08649	2.5
79.05502	5.6
81.07067	12.2
83.01350	4.3
83.08614	5.0
89.06033	7.8
91.05483	4.3
93.07063	4.4
95.04951	2.7
95.08614	12.5
97.06551	3.4
97.10224	2.0
98.21133	15.1
103.88034	2.2
105.07040	5.3
107.08591	4.3
109.06510	2.8
109.10182	4.8
111.04395	3.3
120.90244	2.1
121.10175	3.8
127.07555	4.7
127.11232	2.0
133.08607	2.8
135.08063	3.2
135.11661	2.6
137.09636	3.3
139.07530	5.8
149.06012	2.6
149.13196	2.2
151.07555	8.6
154.62366	2.3
157.10167	2.1
163.07585	8.1
165.09126	7.7
167.07057	4.1
169.08629	22.1
171.93623	2.2
181.04866	2.8
181.08546	11.2
189.09109	5.2
191.07077	4.8
195.06516	17.7
207.10172	5.0
213.07567	5.6
213.16046	2.1
239.14839	4.0
415.31906	4.8
420.17413	2.2
433.33142	100.0
434.33148	3.3
451.32605	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3418
Annotation	Stellattasterenol
Peak:m/z	Relative Intensity
55.01857	8.8
55.05519	14.8
56.53357	2.5
57.06818	4.1
57.07078	67.8
61.90830	2.6
62.76415	2.4
67.05505	21.2
69.07064	22.4
71.04952	3.6
71.26838	2.9
71.49625	6.1
76.19431	3.0
79.05482	8.1
81.07059	30.8
83.01341	11.3
83.04960	6.0
83.08616	11.7
85.02892	13.9
85.06544	51.2
91.05474	6.5
93.07046	14.8
95.08609	37.6
97.02898	13.7
97.06542	6.5
97.10159	9.1
104.14846	3.3
105.07035	7.2
107.04946	6.9
107.08602	13.5
109.06526	5.5
109.10156	20.1
111.11691	4.0
115.03963	5.6
117.07052	3.4
119.08584	11.6
121.10162	10.5
123.08092	5.0
123.11735	19.0
125.05987	18.5
127.11173	3.0
133.10117	5.2
135.11696	4.6
137.13243	11.7
139.07553	3.5
141.05490	26.2
143.08524	3.4
145.10165	5.5
147.11685	4.7
149.13240	10.6
153.05457	39.9
159.06540	9.5
159.11691	3.4
161.13255	4.0
163.14777	5.1
167.07050	8.0
173.13318	3.3
175.08817	2.9
175.14833	3.4
181.12209	3.3
187.14833	3.3
201.16388	3.6
205.19556	4.7
240.29372	2.9
287.98962	3.3
293.28323	4.0
349.27383	4.4
391.32181	5.2
397.31012	3.8
415.31857	10.2
417.35562	2.9
433.27530	5.7
433.33136	100.0
451.27777	7.8
460.71613	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	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04350	4.3
53.03917	4.3
55.01875	5.4
55.05498	17.3
56.84534	4.7
62.35339	5.1
63.57907	4.7
65.03937	6.1
67.05509	26.9
69.03425	8.2
69.07049	20.6
69.50706	17.4
69.51113	12.8
79.05484	30.7
81.07059	71.6
83.04985	25.7
83.08598	9.7
85.06506	5.9
85.73575	4.3
91.05476	33.6
93.07054	53.0
95.04949	17.9
95.08607	67.1
98.20656	5.7
98.21301	16.3
105.07024	88.6
107.08598	80.4
109.06530	10.2
109.10161	44.8
111.08095	8.3
113.02367	4.9
117.06993	16.0
119.08585	100.0
121.06620	4.7
121.10137	69.5
123.08027	7.6
123.11685	23.8
125.05937	5.4
125.09606	13.4
127.03886	6.0
129.06984	11.3
130.07797	5.4
131.08585	49.8
133.10121	53.7
135.11662	20.8
137.05939	7.9
137.09613	6.8
137.13246	5.2
139.03816	5.7
139.11180	5.1
143.08551	31.4
145.10127	81.6
147.11668	30.7
149.13231	20.0
151.11212	7.6
153.01834	10.7
155.08563	9.1
157.10132	38.4
158.10878	7.0
159.11700	59.3
161.13228	29.2
163.14754	5.5
169.10100	18.2
171.11693	27.8
173.13203	33.1
175.14839	25.3
177.09081	6.4
177.16347	8.5
179.10591	5.6
183.11665	13.7
185.13271	40.3
187.14813	53.2
189.16299	14.9
191.14290	10.0
191.18034	6.1
193.12164	5.7
195.11792	9.6
197.13260	18.2
199.14793	78.1
201.16371	56.3
203.17815	4.5
205.15886	30.9
209.13306	10.5
211.14807	24.0
213.16376	46.0
215.14339	6.6
215.17896	10.5
217.15900	6.7
219.17471	13.7
225.16319	8.7
227.17995	7.4
231.17473	6.7
239.17880	6.8
241.19489	8.9
245.15367	7.7
247.16914	6.1
253.19637	7.0
259.16977	7.1
265.19409	5.9
267.20999	12.0
281.22565	6.0
299.20337	5.7
301.85187	4.6
387.30539	8.0
397.19922	5.3
405.31522	73.6
407.33093	8.8
433.31033	18.5
451.32126	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	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
53.41362	2.2
55.01863	3.4
55.05518	15.5
57.07085	3.4
65.03915	3.4
67.05217	2.7
67.05508	31.7
67.99226	2.4
69.03427	7.9
69.07068	21.3
69.41010	2.4
71.04993	3.6
79.05492	28.5
81.03405	3.3
81.07063	67.5
83.04979	32.9
83.08607	10.6
85.06548	6.9
85.44723	2.3
91.05486	36.9
93.07049	63.5
95.04967	12.1
95.08611	69.1
97.06493	4.0
97.10159	4.7
98.21301	12.2
102.32058	2.2
105.04552	2.8
105.07035	77.4
107.08599	69.6
109.06528	16.0
109.10157	37.0
111.08083	9.3
111.11794	3.1
115.05441	3.1
117.07031	11.2
119.04923	2.5
119.08586	100.0
121.06502	3.2
121.10150	51.9
123.04295	2.6
123.08083	5.9
123.11724	21.2
125.05994	5.3
125.09623	8.1
127.03913	4.9
128.06238	5.3
129.06976	9.0
130.07755	3.6
131.08585	31.4
133.10133	42.3
135.08073	6.5
135.11676	21.0
137.05948	7.5
137.09586	13.5
137.13234	5.6
139.03854	3.7
139.11185	2.5
142.07762	8.3
143.08578	24.9
145.10126	78.3
147.11682	45.6
149.09621	6.7
149.13278	16.7
151.07524	4.4
151.11192	7.4
153.01862	5.3
153.05467	5.8
155.08556	6.6
156.09335	5.3
157.10132	31.2
158.10876	3.2
159.11697	39.9
161.09656	5.5
161.13304	18.7
163.07541	7.4
163.11232	5.0
163.14816	10.2
165.05528	2.8
165.09122	3.4
165.12764	9.7
167.06992	5.6
167.08441	2.5
169.10147	17.2
170.10979	4.8
171.11687	33.8
173.13283	31.7
175.14828	44.9
177.16389	8.3
179.08543	2.9
181.05009	4.4
181.10104	3.8
183.11679	12.9
185.13301	21.3
187.14832	43.9
189.12735	4.1
189.16379	23.3
193.15869	3.8
195.11783	3.9
197.13278	10.5
199.14793	32.9
201.16402	29.6
203.17975	8.0
205.15953	9.3
209.13252	4.2
211.14838	11.4
213.16380	23.0
215.14374	5.4
215.17972	9.9
217.12280	3.2
217.15877	7.5
219.13841	5.2
219.17535	3.4
223.14749	5.3
225.16373	10.2
227.17969	6.8
229.15932	3.1
229.19637	2.9
231.17400	9.0
237.16492	3.3
239.17976	12.5
241.19547	40.6
243.21129	4.4
245.15395	5.6
245.19159	3.2
247.16988	4.4
251.17969	3.6
253.19514	8.6
255.21095	3.7
259.16910	4.6
261.18652	3.1
265.19559	5.7
267.21033	6.1
269.19031	4.3
277.19522	3.0
279.21188	2.9
281.22607	4.6
285.18726	3.9
287.19989	3.8
309.22192	4.2
331.23718	2.9
335.23438	4.3
387.30530	10.4
405.31516	70.9
407.33044	10.3
433.31052	14.0
441.19766	2.6
451.32114	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	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03940	4.4
55.05513	18.1
57.07075	3.4
65.03946	2.2
67.05513	20.3
69.03425	3.3
69.07068	14.9
69.79181	4.6
69.79591	6.1
79.05497	19.6
81.07057	45.6
83.04978	20.3
83.08626	11.2
91.05483	30.7
93.07053	49.3
95.04978	8.2
95.08046	3.3
95.08618	54.4
95.60873	2.1
97.06525	4.6
97.10135	2.5
98.20882	5.0
98.21471	3.4
99.08101	8.0
103.05502	3.2
105.07037	63.0
107.08598	66.0
109.06522	8.6
109.10159	39.0
111.08092	6.8
115.05457	4.1
117.06993	10.5
119.08585	100.0
121.06533	2.8
121.10148	53.3
123.08097	5.9
123.11710	18.6
125.09643	10.1
126.85031	2.0
128.06230	2.5
129.07018	9.0
130.07785	2.6
131.08578	39.0
133.10135	56.3
135.08070	3.0
135.11702	19.9
137.02348	3.7
137.05930	2.2
137.09641	4.6
137.13211	2.9
139.11107	2.0
142.07796	8.3
143.08571	27.0
144.09349	4.1
145.10129	77.7
147.08160	2.6
147.11682	30.9
149.13249	13.8
151.11200	8.1
153.01842	2.9
153.09183	3.5
155.08572	7.1
156.09358	8.4
157.10135	40.5
158.10887	5.9
159.11714	57.1
161.09644	2.8
161.13281	22.8
163.07498	2.6
163.11133	4.5
163.14880	7.9
165.12767	4.1
167.08539	3.0
169.10104	9.2
170.10919	7.7
171.11693	32.9
171.33986	2.0
172.12440	3.0
173.13280	39.8
175.11304	2.6
175.14815	34.7
177.16360	9.1
181.10130	2.5
182.10960	3.2
183.11630	10.3
184.12437	5.6
185.13251	24.7
187.11201	3.8
187.14839	62.6
189.16382	18.4
191.14314	5.9
191.17953	2.8
193.15877	2.9
195.11693	4.5
196.12466	2.3
197.13223	18.5
198.13963	2.4
199.14836	57.3
201.16409	46.8
203.14319	5.5
203.18002	6.7
205.15874	33.5
207.17506	3.9
209.13150	4.7
211.14810	11.4
212.15405	2.1
213.16373	36.1
215.14380	2.7
215.18037	10.7
217.15916	9.9
219.13850	2.0
219.17488	8.6
223.14929	3.1
225.16393	7.8
227.17947	7.8
229.15910	4.9
229.19548	2.8
231.17520	6.7
233.15387	4.6
237.16573	2.8
239.18019	8.1
241.19559	10.6
245.15443	6.8
247.17111	3.7
249.16412	2.4
251.18085	3.5
253.19594	8.8
255.21071	5.4
257.19116	2.4
259.16940	8.4
265.19565	3.3
267.21063	7.6
277.19473	2.3
279.21149	3.2
281.22681	3.2
287.20331	2.8
297.22296	2.7
311.27536	2.3
314.79001	2.1
333.25909	4.0
349.25256	3.3
377.32159	2.5
387.30463	8.4
389.31903	2.4
393.27780	2.7
405.31540	77.6
406.31873	3.9
407.33252	14.1
421.31088	2.7
423.32901	3.6
433.31018	20.9
451.32095	78.9
452.32495	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.05515	20.6
56.27240	3.3
57.03429	3.2
57.07064	7.9
59.88205	3.3
63.87198	3.3
67.05507	35.6
69.07060	13.7
71.04977	4.2
79.05489	31.6
81.07056	73.4
83.04978	20.2
83.08628	8.0
85.06531	4.1
91.05476	33.7
93.07044	63.6
95.04987	22.4
95.08605	70.8
97.06513	5.8
97.10191	7.2
97.92690	2.8
98.21137	24.8
105.07035	73.7
107.08594	76.5
109.06525	17.8
109.10168	43.5
111.08078	9.9
117.07005	15.3
119.08578	100.0
121.06465	5.4
121.10145	64.9
123.08037	7.2
123.11726	27.0
125.09654	10.3
127.07566	9.0
129.06996	13.6
130.07843	5.7
131.08559	54.5
133.10127	62.6
135.08083	4.6
135.11679	31.6
137.09592	8.4
142.07791	7.2
143.08560	29.2
145.10141	70.2
147.11684	31.5
149.09627	5.8
149.13278	13.0
151.11189	9.9
155.08595	6.8
156.09344	5.6
157.10136	28.4
158.10945	5.2
159.11690	55.7
161.09654	3.8
161.13277	26.9
163.11156	7.5
163.14845	9.8
169.10083	16.0
170.10947	6.4
171.11693	32.3
173.13260	36.8
175.11096	4.1
175.14854	24.7
177.09070	5.1
177.12779	3.8
177.16420	6.0
182.10953	3.8
183.11702	16.2
185.13269	38.3
187.14816	58.4
189.16388	26.0
191.14291	12.4
194.10936	3.6
195.11697	7.5
197.13298	13.5
199.14854	35.5
201.16408	52.1
203.14359	6.6
203.17938	5.6
205.15874	14.1
209.13326	7.1
211.14778	20.1
213.12862	4.9
213.16394	52.0
214.16992	3.7
215.14272	13.1
215.17950	12.6
217.15974	8.7
219.17412	22.0
221.13222	4.7
223.14824	6.9
225.16495	4.8
227.17917	7.8
229.15904	7.6
231.17455	11.7
237.16447	5.5
239.17949	10.7
241.19527	11.7
245.15443	7.2
247.17006	5.0
251.17854	3.4
253.19623	10.4
255.21169	4.0
259.16949	13.8
265.19440	9.7
267.21069	8.2
277.19431	4.4
279.20999	7.3
281.22974	3.4
301.71649	3.5
309.21936	3.3
355.26202	3.4
374.25693	3.5
387.30386	9.9
395.77206	4.2
405.31546	67.1
407.33157	7.6
421.30905	6.3
433.31094	29.7
437.84244	3.4
451.32227	75.9
451.38049	4.5
452.19241	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	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.7
53.03949	3.1
55.01854	1.8
55.05511	13.5
57.07070	5.3
65.03938	3.3
66.11840	1.5
67.05508	22.7
69.03421	3.9
69.07072	15.6
69.43614	14.7
79.05499	19.5
81.03421	4.3
81.07061	54.2
83.04990	23.6
83.08638	9.7
85.06551	2.9
91.04943	3.4
91.05470	27.3
93.07047	46.4
95.04970	9.8
95.08608	66.3
97.06521	4.2
97.10167	3.6
98.21114	7.3
99.04487	1.9
99.08062	2.7
105.07035	72.9
107.08596	63.0
109.02968	1.6
109.06541	13.7
109.10156	41.0
111.08078	6.7
115.05480	2.9
117.07001	10.0
119.08584	100.0
120.08891	2.0
121.06469	1.9
121.10149	55.8
123.04420	1.8
123.08077	8.2
123.11723	22.4
125.06059	2.9
125.09640	6.9
128.06229	2.6
129.07028	7.4
130.07780	2.5
131.08566	40.9
133.10133	52.1
135.08064	6.4
135.11678	21.2
137.06000	7.4
137.09628	5.1
137.13220	2.3
139.03937	1.8
142.07793	5.7
143.08551	22.6
144.09308	4.3
145.10129	70.8
147.08124	1.7
147.11697	31.4
147.12778	2.5
149.09627	4.5
149.13261	10.5
151.07590	4.1
151.11168	9.2
153.01822	2.3
153.09123	1.8
155.08537	3.9
156.09346	7.3
157.10123	30.1
158.10916	4.8
159.08124	3.4
159.11697	53.8
161.09680	3.7
161.13266	26.3
163.07516	5.6
163.11215	3.6
163.14796	9.5
165.12677	3.0
169.10120	10.4
170.10925	5.1
171.11700	24.8
172.12399	1.9
173.09621	2.1
173.13249	42.8
175.11256	5.0
175.14821	39.7
177.09157	2.0
177.12788	2.4
177.16412	11.8
179.10869	1.7
181.10103	3.0
182.10901	2.1
183.11685	11.3
184.12434	4.1
185.13274	24.2
187.14822	55.6
188.15274	1.9
189.16399	15.7
191.14307	11.3
191.17989	3.5
193.15877	6.4
195.11717	3.3
196.12477	2.8
197.13312	11.5
199.14838	43.3
201.12793	2.7
201.16389	58.2
203.14297	8.1
203.18004	8.9
205.12350	1.7
205.15880	44.8
207.17432	2.9
209.13336	4.6
211.14877	13.3
213.03313	1.5
213.16391	39.9
214.17130	2.6
215.14488	3.5
215.17999	11.8
217.15869	7.3
219.13849	2.1
219.17441	8.3
221.15359	2.9
223.14822	2.5
225.16417	6.9
227.17978	4.9
229.15912	4.1
229.19464	4.0
231.17473	6.4
233.15390	4.9
233.18909	3.2
237.16397	4.7
238.96657	1.6
239.17946	7.2
241.19432	7.7
243.17390	4.0
245.15408	5.2
246.02702	1.7
247.16966	5.9
249.16431	1.8
249.60834	1.5
251.17975	3.5
253.19408	8.8
255.21072	4.9
257.18924	1.7
258.16180	2.8
259.16956	11.0
261.18433	1.7
267.21136	9.1
269.19513	1.7
277.19629	2.7
279.21216	2.6
281.22684	3.2
283.20642	3.5
287.20071	2.0
299.20215	3.6
301.21548	1.7
309.22040	1.6
337.25351	2.2
363.26892	2.1
377.32156	2.3
387.30585	5.3
389.31934	2.2
405.31561	65.1
405.36987	3.5
407.33115	10.9
421.30994	2.7
423.32513	5.0
433.31088	12.6
451.32089	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	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03943	4.0
55.05511	18.7
57.03455	1.3
57.07079	7.1
59.04996	1.4
65.03922	1.9
65.74526	1.3
66.17904	1.3
67.05166	2.0
67.05505	26.9
69.03429	6.0
69.07072	17.0
70.63563	2.6
71.04984	2.0
77.03954	2.4
79.05487	24.6
80.24551	1.3
81.03437	2.2
81.07059	59.7
83.04980	18.4
83.08616	11.4
85.02927	1.9
85.06546	4.3
89.80438	1.3
91.05484	31.6
93.07045	52.1
95.04967	9.3
95.08607	68.3
97.06526	4.4
97.10185	5.5
98.21214	2.8
99.04472	1.4
99.08108	4.3
103.05478	2.1
105.07035	69.6
107.08595	82.2
109.06541	8.9
109.10156	42.9
111.08105	9.1
115.05466	3.1
117.07011	12.7
119.08584	100.0
121.06491	2.3
121.10144	59.0
121.11023	3.0
123.04453	1.4
123.08076	5.7
123.11717	23.1
125.06011	3.7
125.09629	12.1
128.06212	4.7
129.06995	6.9
130.07782	3.0
131.08568	37.8
131.09506	2.7
133.10133	60.8
135.08006	2.1
135.11694	23.6
137.06004	4.1
137.09598	6.6
137.13274	4.3
139.07564	1.5
141.06920	2.5
142.07785	6.2
143.08568	21.7
144.09348	4.9
145.10120	68.4
146.10573	1.5
147.08025	1.7
147.11685	29.7
149.09656	2.5
149.13252	12.8
151.07521	2.6
151.11176	11.0
153.09055	1.7
155.08530	6.6
156.09349	7.3
157.10132	34.2
158.10925	5.1
159.08109	2.6
159.11699	47.0
161.09621	2.8
161.13261	25.2
163.07550	5.2
163.11182	5.3
163.14835	11.7
165.12790	4.5
165.16376	1.9
167.07053	7.4
168.09267	1.9
169.10143	12.3
170.10939	4.6
171.11697	31.6
172.12422	2.7
173.09657	2.4
173.11752	1.9
173.13260	38.0
173.14668	2.4
174.13893	1.3
175.11203	3.5
175.14822	32.3
175.16260	2.5
177.09178	4.2
177.16412	8.3
181.10141	3.7
181.12169	2.0
182.10919	3.7
183.11682	15.3
183.13167	1.4
184.12476	3.8
185.13254	24.1
186.13956	2.2
187.13133	2.8
187.14822	56.9
188.15184	1.6
189.12822	2.2
189.16371	16.7
191.10802	1.5
191.14304	6.0
191.17917	3.2
193.15901	3.3
195.11702	5.2
196.12439	2.4
197.13231	15.4
198.13956	3.0
199.14821	48.2
201.12831	1.8
201.16385	40.8
203.14305	5.6
203.17941	7.3
205.12370	2.2
205.15868	26.8
206.10869	1.9
207.11766	2.5
207.17455	2.2
209.13326	8.2
209.15138	1.4
211.14793	15.1
212.15660	1.6
213.16380	40.5
214.16988	2.1
215.14267	3.2
215.17923	10.3
217.15887	6.0
219.13869	2.6
219.17523	6.1
221.13193	2.3
221.15240	1.5
223.14856	4.2
223.16777	1.7
225.16362	6.9
227.17950	8.8
229.15886	4.7
229.19505	2.8
231.13795	2.7
231.17468	5.5
233.15384	3.5
235.14838	2.0
237.16461	5.3
239.18031	7.7
241.19557	12.4
243.13759	1.9
243.17586	1.8
243.21085	3.0
245.15372	12.2
245.19136	3.3
247.17004	4.0
249.16547	2.6
251.17979	4.9
253.15717	1.4
253.19466	9.2
255.17159	1.7
255.21040	5.4
258.16119	2.1
259.16913	7.1
265.19608	5.1
267.21002	7.2
269.19073	2.1
273.18542	3.0
277.19513	1.7
281.22665	4.2
283.20566	3.8
285.18564	2.6
287.20166	1.6
291.21033	2.3
297.22278	2.0
299.20050	5.4
299.23489	1.9
311.20273	1.9
319.24161	1.7
327.23096	2.7
331.24384	2.1
335.23560	1.7
341.24567	2.9
347.27487	1.7
349.25372	2.2
359.22781	1.9
361.99438	1.5
367.26044	1.8
387.30444	10.7
389.32043	2.2
405.31528	75.8
406.31943	3.1
407.33011	16.7
415.30850	1.6
421.31070	4.6
423.32617	2.6
433.31052	22.2
451.27170	4.3
451.32092	72.6
452.32181	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	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01886	2.6
55.05502	23.6
57.07070	9.2
67.05507	31.6
68.64928	2.5
69.07058	14.0
70.77446	7.3
71.04993	5.5
78.81169	2.5
79.05499	23.2
80.28037	2.5
81.07059	65.2
82.98983	3.1
83.04983	36.9
83.08635	15.0
91.05490	36.4
93.07043	54.8
95.04996	14.8
95.08609	57.2
97.06584	2.6
97.10183	5.5
98.21153	2.7
103.05517	3.3
105.07033	72.2
107.08598	71.8
109.06525	8.7
109.10152	48.6
111.08096	8.0
115.05479	3.4
117.01032	9.8
117.07002	13.3
119.08586	100.0
121.10143	50.4
123.08075	6.3
123.11694	20.6
125.09656	8.2
128.06200	4.0
129.07036	8.6
131.08580	48.8
133.10133	57.0
135.08061	3.5
135.11700	22.4
137.09717	2.7
139.11176	2.7
141.07025	2.7
142.07820	4.4
143.08557	41.0
144.09384	3.5
145.10123	66.1
147.11699	29.3
149.09575	4.5
149.13284	10.8
150.39397	2.8
151.11188	5.9
153.09090	2.7
155.08546	18.6
157.10133	39.5
159.11707	45.0
161.13240	18.7
163.07558	6.3
163.11194	4.3
163.14850	8.5
165.03168	5.6
165.12791	5.0
168.09412	3.1
169.10075	16.4
170.10876	4.2
171.11707	28.1
173.13284	38.4
175.01610	23.4
175.14821	22.8
177.09131	4.0
177.12807	3.3
177.16428	11.6
181.02596	3.4
181.10223	4.3
182.11012	3.0
183.11673	15.5
185.13261	32.3
187.14828	50.8
189.16371	19.2
191.14284	7.7
191.17929	4.8
193.15846	3.8
195.11765	4.3
197.13249	21.8
199.14830	89.9
201.16386	58.6
203.14558	3.6
203.17992	5.5
205.15868	20.2
207.13766	3.7
209.13213	16.1
211.14790	22.2
213.16380	45.0
215.14384	3.2
215.17882	6.4
217.15903	9.9
218.27568	2.8
219.17418	18.8
223.14806	4.4
225.16451	7.0
227.04636	2.9
227.17986	11.1
229.15755	4.0
231.13884	6.4
231.17543	3.9
233.15422	7.6
235.14789	4.5
237.16391	4.8
239.17973	14.2
241.19586	11.9
243.13972	2.7
245.15450	7.9
251.17961	3.0
253.19533	10.1
255.21112	6.9
259.17001	8.2
265.19635	5.2
267.21066	9.9
273.18542	3.1
279.21106	3.9
281.22549	5.0
293.22534	3.7
317.22803	4.5
331.13110	14.7
377.09305	3.5
387.19400	8.2
387.30502	8.8
395.10178	15.3
405.31528	90.9
406.31927	4.7
407.33264	13.1
433.15451	6.3
433.30936	14.2
451.16544	15.8
451.26688	3.6
451.32132	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01867	6.3
55.05514	25.5
57.03439	3.3
57.07072	4.5
65.03939	3.8
67.05164	3.9
67.05506	52.7
69.06784	1.8
69.07076	17.0
71.04986	6.1
71.35844	2.0
78.63744	2.3
79.05498	30.8
81.03434	5.1
81.07063	100.0
83.04980	27.0
83.08641	12.7
83.43922	2.6
91.05488	41.1
91.18969	2.6
93.07050	63.8
94.35551	2.5
95.05002	12.1
95.08615	65.5
96.55926	2.2
97.06533	7.6
97.10179	4.9
98.20709	6.1
98.21401	9.7
99.20662	2.3
105.07037	69.1
107.04929	4.1
107.08604	92.5
108.08958	2.7
109.06493	15.3
109.10171	41.3
111.08068	8.2
117.07030	16.3
119.08595	98.6
121.06511	3.0
121.10150	49.6
123.08081	8.8
123.11717	21.1
125.09611	7.2
128.06248	4.4
129.06976	7.0
131.08572	35.0
133.10144	58.0
135.07985	5.6
135.11700	21.8
137.09625	10.6
137.13248	6.5
139.90237	2.6
141.07018	4.8
142.07823	2.7
143.08562	21.8
145.10129	82.9
145.11282	4.4
147.08099	3.3
147.11696	37.9
149.09537	2.8
149.13261	18.1
151.11197	7.3
155.08533	7.2
156.09331	5.7
157.10121	34.2
158.10881	3.0
159.11726	29.8
161.09634	5.0
161.13286	13.9
163.07588	3.6
163.11118	11.7
163.14874	15.3
165.12761	10.6
167.08690	3.5
169.10123	16.5
170.10892	3.9
171.11722	33.3
173.13283	28.9
175.11275	4.1
175.14838	49.9
177.09172	3.0
177.12741	2.5
177.16388	11.3
181.10326	3.3
183.11693	13.9
185.13312	16.0
187.13338	5.2
187.14830	35.0
189.12740	4.8
189.16383	19.4
191.10617	2.6
191.14273	3.3
195.11755	5.3
197.13313	15.2
199.14845	24.0
201.16467	22.6
203.14308	6.1
203.17999	8.7
205.15956	6.8
208.12318	2.7
209.13345	5.8
211.14864	6.6
213.16359	23.6
215.14307	4.7
215.18030	9.5
217.12410	3.7
217.15892	10.6
217.19530	2.8
219.13797	3.6
225.16400	7.7
225.86992	2.6
227.12743	3.0
227.17979	6.1
229.15665	5.3
229.19427	3.8
231.17357	9.5
233.15433	3.3
235.27164	2.8
237.16425	5.3
239.17944	8.6
241.19490	28.3
243.17525	3.7
243.21072	11.3
245.15469	4.1
247.17015	4.3
249.16263	3.4
251.18063	3.1
253.19606	12.0
253.21866	2.6
255.21042	6.3
259.16949	5.3
259.20578	4.1
265.19452	2.7
267.20981	7.7
269.22644	3.4
277.19623	3.0
281.22415	4.0
283.20706	3.4
285.18509	3.5
287.20090	4.0
291.21072	6.4
299.20145	5.4
309.22131	8.9
311.20026	3.0
313.21603	4.3
317.22549	3.5
331.23383	2.5
335.23663	2.7
345.25650	2.5
359.22723	2.4
363.26828	4.1
387.30414	10.0
389.31824	3.5
393.27859	4.8
405.31567	84.1
407.33240	15.6
421.30972	3.9
433.31113	15.1
451.26663	17.0
451.32083	67.2
469.96936	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	451.3054
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
53.03939	2.0
55.01865	2.7
55.05512	13.9
57.03438	2.3
57.07075	6.9
65.03958	2.2
67.05166	3.0
67.05505	46.4
69.07086	13.8
69.53497	15.2
69.87585	1.7
71.04980	2.7
71.08636	13.3
78.06941	1.9
79.05491	17.0
81.07061	50.9
83.01343	2.5
83.08610	10.5
85.06528	3.2
85.10184	10.1
91.05487	17.3
93.07048	16.2
95.04960	1.8
95.08605	43.4
96.50281	1.7
97.06528	2.7
97.10175	4.4
98.21195	6.8
99.08107	11.3
105.07030	8.6
107.08606	13.7
109.06524	6.3
109.10162	17.2
113.09632	11.6
117.07022	3.8
119.08575	9.4
121.10139	9.5
123.08107	2.9
123.11713	8.5
131.08566	5.4
133.10181	8.8
135.11702	8.7
137.05989	20.0
137.13245	5.8
141.66550	2.0
145.10139	5.9
147.11713	9.9
149.13304	4.6
151.07565	2.6
151.11162	2.1
151.14836	2.2
151.95845	1.7
153.05473	3.2
155.07034	100.0
157.94749	1.8
159.11681	4.5
161.13297	4.9
163.11064	2.0
163.14824	3.0
165.12721	4.8
167.07027	8.6
167.14211	2.1
173.13225	5.7
175.14793	3.0
179.14293	4.5
181.04968	63.7
181.15952	2.6
193.08519	2.0
209.08101	2.6
234.15486	1.8
242.79869	1.8
243.21147	4.2
261.22168	7.3
279.23242	37.6
435.27356	1.8
451.32037	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	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03939	3.2
55.01869	2.1
55.05513	16.7
57.07073	4.7
59.05002	1.1
65.03947	1.8
67.05506	22.4
69.03410	2.9
69.07072	13.4
69.44309	2.2
69.44711	6.9
71.04973	1.5
71.08625	1.3
73.82551	1.0
74.45739	0.9
79.05489	20.9
81.03427	1.8
81.07058	46.7
83.04980	15.8
83.08627	10.6
85.06541	2.4
91.05482	32.3
93.07049	46.4
95.04987	5.6
95.08607	60.1
97.06528	4.1
97.10172	2.5
98.21198	4.6
99.08107	7.8
103.05492	1.9
105.07031	67.0
107.04945	1.7
107.08593	78.6
109.06528	8.2
109.10162	34.0
111.08099	7.0
115.05479	1.9
117.07018	9.1
119.08585	100.0
121.06524	2.8
121.10146	51.9
123.08067	6.6
123.11706	20.4
125.09654	8.3
127.07545	1.1
128.06241	4.7
129.07016	8.1
130.07849	2.6
131.08572	43.8
133.10132	52.2
135.08070	3.6
135.11691	16.4
137.02359	4.4
137.05988	4.8
137.09610	6.6
137.13271	3.2
138.90610	1.0
139.11215	1.6
141.07008	3.4
142.07770	8.5
143.08572	24.3
144.09335	3.3
145.10123	79.3
147.08022	1.9
147.11690	34.7
149.09587	2.9
149.13272	11.2
151.11218	7.4
153.01808	5.4
153.09134	1.9
155.08569	7.5
156.09340	7.6
157.10130	39.2
158.10942	5.4
159.08078	1.2
159.11696	52.4
161.09628	2.3
161.13260	24.2
163.03865	1.2
163.07541	4.7
163.08781	1.1
163.11176	2.7
163.14838	9.0
165.09143	1.5
165.12791	4.6
168.09326	1.4
169.10133	15.1
170.10873	8.3
171.11700	34.7
171.13135	2.2
172.12517	2.7
173.09706	2.5
173.11752	2.1
173.13269	39.3
175.11278	2.8
175.14833	36.4
177.09082	1.9
177.12762	3.0
177.16367	8.0
179.10709	1.6
179.14343	2.4
181.10117	3.1
182.10986	3.3
182.15411	1.0
183.11688	13.4
184.12491	5.4
185.13261	28.0
187.14822	59.6
188.15468	1.0
189.12718	1.2
189.16376	16.0
191.14290	7.1
191.17960	2.2
193.10233	1.2
193.15900	3.9
194.10852	1.6
195.11740	5.0
196.12439	1.8
197.13252	15.7
198.13985	2.3
199.12943	2.6
199.14815	54.3
201.12782	2.2
201.16386	48.2
203.14320	7.0
203.17949	6.3
205.15875	32.7
207.11682	2.2
207.17424	2.0
209.13295	7.3
211.14812	14.9
213.16396	38.6
214.17116	1.3
215.14343	4.1
215.17928	9.7
217.12271	1.3
217.15947	7.9
219.13887	2.5
219.17424	5.7
221.13258	1.5
223.14851	4.9
225.16359	8.1
227.17996	7.3
229.15891	4.3
229.19508	2.3
231.13812	1.9
231.17471	7.3
233.15373	4.9
233.18903	2.6
235.14804	2.5
237.16383	4.5
239.17979	6.9
241.19505	13.5
243.17427	2.2
243.21188	1.8
245.15422	6.5
247.17004	3.1
249.16454	2.1
251.17940	3.7
253.19550	6.0
255.21159	3.6
257.19037	1.5
259.17023	4.5
263.17978	2.6
265.19595	3.7
267.18140	1.1
267.20984	6.2
271.20554	1.3
273.18323	1.3
277.19739	2.4
279.21115	2.9
281.22705	3.0
283.20615	1.9
285.18622	1.3
287.20120	2.3
291.21136	2.0
293.22867	1.1
297.21985	1.6
299.20108	2.5
299.23679	1.1
303.21014	1.6
307.23975	1.1
309.22162	2.5
317.22797	2.3
325.21567	1.8
333.25873	2.9
335.23743	1.7
339.23349	1.7
347.27209	1.6
349.25223	1.5
363.26801	2.3
387.30423	9.1
393.27686	1.7
405.31519	64.6
407.33212	11.9
415.29935	1.3
421.30997	3.0
423.32425	4.6
433.31052	17.5
451.32083	70.9
452.32651	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	451.1237
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
53.03944	1.2
53.38323	0.5
55.01868	1.0
55.05515	0.9
57.03429	0.8
65.03895	0.5
65.12488	0.5
67.01859	1.6
67.05499	0.8
68.99789	1.8
69.03442	3.5
69.70674	1.4
69.71085	1.7
70.06612	0.9
71.04999	1.6
73.02906	2.5
75.53648	0.6
79.05494	1.6
81.03425	4.2
81.07045	1.5
83.04984	1.7
85.02905	3.3
85.06548	0.9
89.03918	2.8
91.05450	1.3
93.07035	1.3
95.04979	1.1
95.08623	1.2
97.02898	2.1
97.06535	0.7
99.04447	2.1
100.11289	1.1
103.03935	0.7
105.07034	1.3
107.04959	1.7
107.08599	1.5
109.02897	3.2
109.06521	0.7
109.10209	0.6
111.00830	3.2
111.04445	1.6
117.03387	3.8
119.04986	0.7
119.08595	1.1
121.06524	0.6
121.10128	0.7
123.04439	4.1
127.03938	2.0
133.10179	0.6
135.04427	9.8
137.02365	1.3
137.05981	3.4
137.09663	0.6
139.03900	1.8
143.03407	0.9
145.02866	7.7
147.04411	1.4
147.08102	0.9
147.09209	1.3
149.06041	0.7
149.09654	0.8
151.03922	2.1
151.07549	1.3
153.01839	79.3
154.02193	2.1
159.04385	0.9
161.05949	0.9
161.07104	1.3
163.03922	48.4
165.01837	2.2
167.07036	0.6
171.02913	5.1
173.07167	0.9
175.08710	0.8
179.03401	5.2
181.04980	0.8
183.02864	1.1
184.07315	0.8
187.03934	2.3
191.08177	8.6
195.02948	2.1
205.04971	1.4
217.04974	0.9
219.02939	1.0
245.04388	1.0
261.03989	0.7
271.06064	1.6
273.03967	1.4
287.05606	2.0
288.05942	2.5
289.07083	100.0
290.07428	1.6
297.06052	0.6
301.07086	1.1
307.12946	2.5
315.07166	0.7
319.04504	24.8
320.04819	0.7
325.14005	1.3
331.12973	1.0
349.13892	0.9
374.83838	0.6
387.03378	0.6
415.14813	1.0
451.16565	1.9
451.32617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19215	0.7
56.17284	0.6
57.03384	0.8
61.27345	0.7
62.60451	0.7
68.24660	0.9
69.03409	3.3
71.79665	0.8
76.12127	0.7
79.01859	2.6
81.03419	3.7
83.04991	1.3
85.02917	5.8
97.02897	3.4
101.06023	2.6
107.01315	1.8
109.02854	3.5
116.22555	0.7
125.02325	3.4
127.03918	6.5
143.03438	4.7
153.01831	100.0
153.02783	3.6
154.02235	1.0
171.02879	10.1
209.45869	0.8
261.37277	0.7
297.06067	2.3
315.07095	13.5
370.91287	0.8
377.02948	1.0
395.04166	1.0
405.02481	1.5
423.03461	1.6
438.93167	0.8
451.02948	10.7
451.17819	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	451.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55831	0.2
53.03942	0.5
55.01872	0.5
55.05507	0.8
57.03434	0.5
65.03930	0.4
67.05505	0.6
69.03432	1.9
69.60299	1.9
71.05011	0.3
73.06564	0.2
75.04481	0.8
79.05497	0.8
80.05029	0.3
81.03416	0.6
81.07069	0.5
83.04993	1.4
85.02911	2.7
85.06538	0.5
87.81981	0.3
91.05488	2.3
92.06284	0.3
93.07030	1.2
93.07545	0.2
93.52188	0.3
94.06563	0.9
95.05003	0.3
95.08603	0.6
96.08141	1.5
97.02900	1.0
98.20973	1.0
99.04434	0.3
103.05452	0.5
104.04998	0.6
105.07041	1.0
106.06583	1.5
106.07201	0.3
107.08567	0.4
108.08150	0.5
109.02875	0.5
109.06552	0.5
109.10205	0.3
116.04993	0.4
117.05756	0.5
118.06531	2.8
119.07327	0.5
119.08585	0.6
120.08119	13.2
122.06036	0.3
122.09655	0.7
123.04420	0.5
123.08036	0.3
124.07614	7.4
126.09180	1.1
127.03883	0.6
133.06421	0.3
133.10126	1.1
134.06029	5.3
135.08032	0.3
136.07599	2.5
137.02309	0.3
137.05989	1.1
138.05516	1.1
138.09108	0.8
143.08591	0.4
145.04971	0.5
146.05975	2.8
147.06802	2.6
148.07584	12.2
149.09644	0.4
150.09151	1.0
151.07516	0.4
152.07059	1.0
153.01805	0.8
161.09647	0.8
162.81013	0.3
164.07080	59.6
165.07584	0.9
166.08673	2.6
167.07047	0.3
181.04918	0.3
189.12730	0.6
200.10674	0.8
207.13814	0.5
213.65384	0.3
214.10941	0.5
215.11920	0.4
215.15532	2.3
216.10213	1.8
226.12202	0.5
228.10179	0.6
229.13342	1.3
243.14958	6.8
245.16501	2.9
253.13377	1.2
254.11722	1.3
271.14435	23.8
272.14755	0.5
289.15482	100.0
290.15811	1.8
303.05002	0.7
304.05432	0.7
305.05588	2.7
447.57605	0.3
451.20343	1.9
451.33182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03701	1.5
53.03936	2.1
55.01872	2.9
55.05516	14.8
57.03445	1.8
57.07074	4.8
57.16546	1.5
67.05169	2.9
67.05510	44.5
69.03432	2.3
69.07072	23.2
69.71202	2.7
69.71617	6.5
71.04983	3.4
76.18749	1.3
79.05503	20.6
81.07062	58.5
82.07368	1.3
83.04975	4.2
83.08634	8.9
85.06544	4.9
91.05479	10.0
93.07050	21.0
95.04957	2.7
95.08614	42.1
97.06525	5.2
97.10184	3.9
98.21486	2.1
99.08109	2.3
105.07037	7.2
107.04902	1.4
107.08603	14.5
109.06518	4.4
109.10161	21.0
111.08070	2.3
117.07000	3.1
119.08593	7.2
121.10162	13.2
123.08051	2.7
123.11751	9.2
125.06010	2.1
131.08582	5.5
133.10118	6.7
135.11700	9.0
137.05975	17.1
137.09644	2.1
137.13251	7.2
139.11217	3.1
143.08548	2.9
145.10115	6.0
147.11711	4.3
149.09508	2.7
149.13278	5.1
151.07558	3.5
151.11378	1.5
151.14758	2.3
153.05460	5.4
153.12761	1.9
155.07040	100.0
157.10126	2.7
159.11739	5.7
161.13240	3.6
163.11206	1.9
163.14801	3.8
165.09103	1.8
167.07112	8.7
167.51311	1.5
171.11708	2.4
173.11870	2.5
173.13293	4.8
175.14819	3.8
177.16431	2.0
181.04973	28.1
181.12241	2.0
183.11700	1.6
187.14835	3.6
191.07002	3.2
207.06430	1.5
209.15231	1.9
243.21098	4.2
243.89752	1.4
261.22177	9.9
279.20309	2.5
279.23196	34.0
405.31604	3.0
415.28400	2.1
416.29355	1.9
433.32303	5.7
445.96454	1.7
451.32678	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	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05504	4.9
57.03447	4.8
59.69193	2.3
62.23607	2.4
66.32390	2.5
67.05502	4.5
69.03427	18.2
69.07068	5.0
69.82106	6.2
69.82520	8.1
71.05004	3.5
73.02945	2.5
73.06560	2.4
75.04483	6.8
79.05499	18.4
81.03412	15.7
81.07077	15.6
83.04944	2.7
85.02905	11.2
85.06532	3.1
91.05475	18.8
93.07050	88.5
93.94857	2.7
95.04969	4.9
95.08614	7.6
97.02905	10.9
98.20747	3.4
99.04494	3.3
101.70313	2.3
105.07014	11.9
107.08601	19.4
109.02868	10.4
109.06535	5.3
111.08143	4.7
117.07118	3.4
119.08587	15.5
121.06498	5.2
121.10152	100.0
123.08046	3.1
123.11671	3.6
124.03997	2.9
127.03921	7.5
129.11690	2.4
131.08557	9.7
133.10167	4.6
137.05991	3.5
138.67915	2.8
139.11183	4.1
145.10216	2.8
147.04402	4.7
149.09624	36.9
149.10735	3.5
153.01830	3.4
159.11752	2.8
167.10707	25.4
173.15163	2.7
184.72096	3.0
214.59309	2.4
267.99039	3.0
293.13873	11.8
311.14917	26.2
318.06845	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0872
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
61.02914	1.6
68.99815	0.5
69.75738	0.7
69.76145	2.3
73.02920	15.9
93.37407	0.5
98.20906	1.2
98.21486	0.9
107.05008	0.4
115.03949	1.4
121.02875	0.7
123.04449	1.0
137.02364	3.2
147.04378	0.9
149.75038	0.4
153.01875	1.4
153.19305	0.5
169.01323	7.4
175.03874	0.7
181.01353	1.6
199.03940	1.4
217.04979	1.0
221.11102	0.5
245.04472	2.4
273.03925	2.3
281.91187	0.5
290.04053	0.8
301.03516	1.3
319.04495	100.0
320.04807	2.0
341.59491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.2
61.02914	1.4
68.99770	1.1
69.03407	0.8
71.31301	1.0
73.02549	1.1
73.02923	13.9
92.24439	0.7
97.02898	0.7
98.21040	0.7
109.02892	1.0
111.00801	2.7
117.44692	0.6
137.02356	1.7
142.79762	0.6
153.01837	11.2
155.35011	0.8
165.01836	3.1
166.02539	0.8
179.03432	1.7
183.02859	1.0
203.03453	0.9
207.03011	0.8
217.04900	3.4
219.11368	0.8
245.04515	4.9
250.99695	0.7
251.88745	0.8
271.19171	0.7
273.03961	4.6
290.04428	1.2
293.68652	0.6
301.03381	0.9
319.04492	100.0
320.04883	1.9
375.24792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0871
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
50.86032	0.5
57.03421	0.6
61.02914	1.8
68.99783	2.1
69.03428	0.6
69.22651	5.2
69.23055	1.0
71.01347	0.5
73.02923	15.2
74.36724	0.7
87.07843	0.6
93.31371	0.5
94.88945	0.5
97.02881	0.8
98.21262	2.8
109.02877	1.1
111.00809	3.1
115.03925	1.3
127.03945	0.9
137.02347	1.7
153.00699	1.0
153.01845	11.8
153.05542	0.5
155.52692	0.6
161.06000	0.7
165.01875	4.8
174.14508	0.6
175.03931	0.7
179.03366	2.0
183.02879	1.3
189.05417	1.0
195.02866	0.7
199.03952	0.7
215.57315	0.6
217.04976	4.3
231.02980	0.6
245.04544	4.1
255.02824	0.7
263.05667	0.5
273.03851	4.9
290.04205	1.0
301.03424	1.7
319.04501	100.0
320.04840	2.0
329.02930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01864	1.1
67.05487	1.4
68.57003	0.8
69.03435	4.5
69.58602	5.3
71.04992	1.7
73.06578	0.9
79.01848	2.5
79.23659	0.9
81.03414	10.4
81.07058	1.2
83.04961	0.8
84.04462	0.7
85.02904	3.7
85.14304	0.8
89.59982	0.8
91.05493	1.5
95.04994	1.0
95.08659	1.1
97.02898	8.3
98.21059	2.9
99.04436	1.5
107.01330	1.2
108.04496	2.5
109.02877	7.6
109.10174	1.2
116.07111	0.8
121.06470	0.9
125.02340	2.9
127.03944	8.8
137.02376	1.5
137.05986	1.3
139.03859	1.1
143.03423	4.2
145.04927	1.9
153.01833	100.0
153.02814	3.7
154.02162	3.4
161.05849	1.2
171.02878	11.5
184.07193	0.9
188.03825	1.0
199.84842	0.8
207.10143	0.8
259.11111	0.9
279.04871	0.9
296.15039	0.8
297.06033	11.4
314.15677	0.9
315.07034	9.3
332.17227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03952	1.2
53.37185	0.6
53.90719	0.6
57.03429	0.8
62.14271	0.6
66.27214	0.6
69.03439	4.1
69.07098	0.7
70.06599	0.9
70.88219	1.5
71.04939	0.7
73.06536	0.8
79.01853	2.7
81.03426	7.9
81.45200	0.6
85.02919	3.4
97.02915	6.8
98.21375	0.8
99.04475	0.7
103.03890	0.7
107.01306	1.4
109.02888	5.1
110.53669	0.6
115.68684	0.6
123.04439	0.7
124.07575	1.1
125.02352	4.1
127.03926	9.2
137.02332	1.1
143.03436	5.0
145.04951	1.8
151.42905	0.6
153.01837	100.0
153.02776	3.7
154.02148	2.3
161.05977	0.8
167.07010	5.8
171.02892	12.7
174.69312	0.6
181.13474	0.9
207.10133	0.7
227.13919	1.3
297.06033	12.1
310.12961	0.7
315.07153	11.1
404.65945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47890	2.1
53.03925	3.3
55.01865	3.7
57.03431	3.6
57.07053	2.2
61.02927	4.6
62.60559	2.7
63.91523	2.4
67.05524	3.0
69.03432	15.9
70.06577	3.5
71.04964	3.7
71.57631	3.2
73.02893	3.6
74.66145	2.4
79.01822	4.8
81.03410	15.7
81.07072	4.2
85.02431	3.9
85.02907	62.2
91.03955	2.3
91.05483	59.4
95.08595	3.4
97.02893	32.6
99.04436	3.3
103.03935	3.0
109.02222	2.6
109.02858	15.4
111.33919	2.0
115.03941	3.8
121.06505	2.9
124.07581	7.4
125.02335	3.7
127.03922	21.8
135.04385	2.4
137.02332	4.5
137.05968	4.9
143.03380	5.7
145.04953	27.8
153.01826	100.0
153.02867	3.6
154.02174	4.3
157.72334	2.3
161.05957	6.5
163.03928	2.6
163.06084	14.4
165.05443	2.8
171.02859	13.6
176.03403	3.2
188.03766	9.6
189.09103	5.0
204.08678	7.6
207.10162	9.3
210.66258	2.4
214.32503	2.6
253.10710	3.4
297.06082	10.2
315.07019	7.0
438.77258	2.6
450.19540	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	449.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01855	6.0
55.05509	24.0
57.03443	4.3
57.07071	9.1
61.04134	3.0
65.03954	2.8
67.05508	30.8
69.03426	10.5
69.07069	24.8
69.97912	10.8
71.04974	3.9
79.05494	35.3
81.03406	7.1
81.07054	66.2
81.78384	2.6
83.04980	27.3
83.08617	11.5
83.60587	2.6
85.02899	5.8
85.06543	7.1
86.93568	2.7
91.05469	39.6
93.07049	56.3
95.04971	11.5
95.08608	72.2
97.06527	5.4
97.10179	3.6
99.08064	3.1
105.07037	73.7
107.04962	3.6
107.08592	89.6
109.02872	3.5
109.06525	25.0
109.10154	42.7
111.08086	9.9
117.07027	12.7
119.08579	88.9
121.06496	7.2
121.10135	60.6
123.04427	3.6
123.08083	10.3
123.11713	27.8
125.02351	2.5
125.06007	10.9
125.09655	12.3
127.03899	3.2
128.06241	7.3
129.07022	13.2
130.07780	4.0
130.23573	3.0
131.08575	34.8
133.09123	2.9
133.10135	58.3
135.08047	6.8
135.11685	23.7
137.05977	33.2
137.09589	14.0
137.13266	6.2
141.07005	3.0
142.07784	8.4
143.08566	29.2
144.09282	3.0
145.10129	71.6
146.10597	2.6
147.08043	5.6
147.11697	36.5
149.09637	5.8
149.13293	10.0
151.07559	7.1
151.11209	9.2
153.01831	9.6
153.09169	4.6
153.12781	3.5
155.08586	10.0
156.09354	11.2
157.10129	45.5
159.08122	2.9
159.11697	39.3
161.09698	7.1
161.13269	23.2
163.07529	4.0
163.11243	6.2
163.14803	6.3
165.09149	3.3
165.12775	11.7
167.08493	4.1
168.09390	3.5
169.10089	29.0
170.10938	6.4
170.13417	2.5
171.11693	32.4
173.13243	25.9
175.07529	2.6
175.11285	5.0
175.14845	19.3
177.12959	3.8
177.16475	3.1
179.10722	4.6
181.10167	7.3
182.10890	5.5
183.11679	24.9
185.09746	3.6
185.13254	28.5
187.07556	3.4
187.11154	5.4
187.14821	24.5
189.16380	3.0
191.14374	8.0
193.10165	3.2
193.15910	4.2
195.11716	13.6
197.13275	24.0
197.75090	2.7
199.14850	30.8
201.16316	13.9
203.14316	6.0
203.17978	3.9
205.12248	5.0
205.15900	6.0
207.11745	5.9
208.12437	3.4
209.13316	16.1
211.14882	22.9
212.15681	4.5
213.16382	27.0
215.10706	3.8
215.14308	6.2
215.18068	5.3
221.13321	6.7
223.14877	9.1
225.16464	10.6
227.14351	3.5
227.18016	7.0
229.15887	5.7
231.17465	4.1
237.16434	14.7
239.17963	57.8
241.19463	14.0
243.13783	4.5
245.15489	5.6
247.17027	3.4
249.16476	4.8
251.17946	18.1
253.19563	14.9
255.17468	4.7
257.15271	14.9
257.19043	3.8
259.17065	6.7
263.17941	4.4
265.19702	6.8
267.21173	3.2
271.17004	3.9
275.18082	4.5
279.21115	3.7
281.19138	3.3
283.17020	10.9
285.18600	9.9
291.21146	3.9
297.18549	7.2
299.19995	3.2
301.19489	3.6
317.22620	3.2
329.22415	3.1
339.23380	4.4
357.24319	4.2
377.28159	5.1
385.28864	12.2
403.29977	77.2
405.31442	21.8
413.30807	4.1
419.29605	4.1
421.31067	5.6
431.29074	19.0
449.30530	100.0
450.30698	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	449.326
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.03944	1.0
55.01875	5.5
55.05518	10.5
55.37266	1.1
57.07081	18.4
64.58530	1.1
67.05506	8.8
68.82607	1.0
69.07072	15.2
69.33282	5.5
69.33708	4.6
71.04993	2.4
71.08641	2.4
73.06567	1.4
79.05481	6.8
81.07057	17.7
83.01340	27.0
83.04549	1.2
83.04989	6.9
83.08606	7.0
85.06548	11.1
91.05474	4.7
93.07051	9.2
95.04961	2.5
95.08606	15.0
97.02883	9.4
97.06557	2.9
97.10184	3.3
98.20847	2.3
98.21479	2.2
99.04511	1.2
105.07047	5.1
107.04974	3.7
107.08613	7.9
109.06497	2.6
109.10159	11.8
109.79226	1.1
111.04440	1.8
111.08091	1.3
115.03937	4.7
117.37699	1.0
119.08595	5.4
121.06535	3.0
121.10130	6.8
123.04568	1.1
123.08111	2.1
123.11726	6.6
125.06001	34.5
125.09637	1.7
129.07062	1.2
131.08597	1.7
133.10132	4.8
135.08095	1.2
135.11707	3.7
137.06000	3.2
137.09601	2.0
137.13248	1.5
139.07617	2.5
141.05461	6.2
147.08098	1.8
147.11708	2.4
149.09601	2.4
149.13280	2.8
151.03937	1.7
151.07545	11.1
153.05470	38.6
155.07053	1.6
157.04968	2.2
157.10162	1.7
159.11647	2.0
161.09651	2.3
161.13226	2.2
163.07545	1.6
164.08302	1.5
165.05550	1.8
165.09036	1.8
167.07054	8.3
167.10690	1.9
169.04970	5.8
171.06575	3.0
175.11223	2.7
175.14816	1.3
177.09138	1.7
179.07048	1.3
179.10672	2.7
181.08629	3.1
189.09129	1.6
191.10663	1.7
193.08609	2.1
193.12196	1.4
195.10172	2.8
197.04485	1.2
205.19339	1.1
209.11716	8.2
221.11748	3.1
223.13266	1.8
269.45016	1.2
279.19235	1.2
305.24545	1.6
333.24243	8.8
347.25818	45.3
348.26181	1.9
357.24121	1.2
375.25311	50.4
376.25546	2.7
385.30875	1.3
399.43338	1.1
403.31879	2.4
406.35855	1.1
413.30356	2.8
431.31525	100.0
432.32074	3.4
449.32465	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	449.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81817	2.0
53.03945	4.6
55.05511	21.0
57.03444	3.1
57.07074	5.6
59.05005	2.9
65.96709	2.2
67.05507	24.4
69.03439	5.4
69.07073	12.0
69.24500	23.7
71.04990	4.1
79.05495	27.1
81.07062	57.5
82.48624	2.0
83.04986	21.2
83.08614	12.3
85.06533	4.1
91.05482	32.7
93.07052	49.8
95.04981	12.3
95.08611	56.1
97.06548	5.0
97.07190	2.3
97.10207	3.5
99.08119	2.2
105.07040	68.8
107.08598	64.0
109.06544	13.9
109.10160	36.6
111.08058	5.7
117.07042	12.8
119.08590	100.0
121.06547	3.6
121.10143	47.6
123.08087	7.0
123.11711	19.3
125.09646	11.1
128.06232	5.8
129.06999	11.4
130.07793	7.5
131.08583	45.2
133.10141	44.0
135.08060	6.5
135.11719	20.1
137.06009	4.4
137.09636	5.3
137.13217	4.1
141.07014	8.0
142.07826	11.6
143.08560	37.0
144.09372	6.4
145.10133	97.4
147.08054	3.6
147.11691	27.6
149.09657	6.4
149.13290	10.7
151.03954	2.3
151.07526	4.1
151.11197	5.5
155.08568	18.1
156.09351	13.7
157.10133	55.7
158.10912	5.1
159.11697	55.7
161.13240	16.0
163.07549	6.5
163.11214	4.5
163.14839	6.7
165.07152	2.7
165.12811	3.8
167.08583	5.1
168.09413	6.4
169.10121	30.0
170.10892	19.4
171.11722	34.6
172.12450	4.6
173.13269	38.4
175.11107	4.3
175.14833	16.7
177.09233	3.7
177.12764	5.1
177.16420	3.7
179.08475	3.0
181.08696	2.6
181.10158	10.4
182.10924	7.7
183.11713	29.3
184.12506	4.4
185.13255	60.1
185.14827	3.4
187.14839	73.3
189.16443	11.2
191.14346	10.2
193.10178	3.6
193.15918	2.3
194.10764	3.1
195.11662	16.9
196.12482	4.3
197.13264	23.0
198.13843	2.8
199.14822	49.7
201.16391	28.8
203.14330	5.8
205.15868	17.0
207.11720	3.0
209.13303	15.8
211.14839	32.0
213.12772	2.4
213.16359	18.6
215.14363	3.9
215.17888	5.6
217.15941	8.0
219.11757	2.4
219.17529	6.4
220.12541	2.8
221.13248	5.9
223.14925	8.6
224.15759	2.5
225.16443	7.2
227.17931	4.1
229.15799	3.0
231.13878	5.0
231.17606	6.0
235.14728	6.4
237.16441	6.5
239.14424	3.5
239.17949	14.2
241.19542	4.1
243.13890	3.9
245.15492	3.5
249.16365	5.6
251.18016	10.2
251.45367	2.8
253.19626	10.1
257.15314	10.8
263.17963	6.5
265.19501	12.8
267.21082	2.9
277.19693	3.3
279.21234	6.5
283.16821	3.5
297.18585	5.3
297.22101	3.3
303.21170	2.9
337.21735	2.4
385.28922	6.9
403.29968	52.6
405.31467	15.7
421.30862	3.2
431.29471	11.8
449.30508	84.2
450.31253	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	449.2899
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
50.81260	1.7
53.03949	8.9
55.01873	5.3
55.05515	28.8
57.03437	15.4
57.07066	3.6
65.03947	3.5
67.05508	96.1
69.03408	3.2
69.07074	30.4
70.82170	3.9
71.01355	3.7
71.05004	8.2
77.03922	2.0
79.05494	73.6
81.03407	9.9
81.07059	87.7
83.04987	18.7
83.08618	15.0
85.06542	7.9
91.05486	40.2
93.07052	100.0
93.91143	1.9
95.04982	12.1
95.08610	21.9
97.06551	16.5
97.10159	7.7
98.21326	1.6
99.08093	6.6
102.59193	1.6
105.04531	1.8
105.07044	15.2
107.04980	4.1
107.08597	51.3
107.09295	3.6
109.06499	5.1
109.10165	9.9
111.08082	8.9
112.81091	1.7
117.07017	12.3
119.08573	11.5
121.06528	1.8
121.10160	20.7
123.11704	2.6
125.09612	3.1
129.06970	2.0
130.69350	1.8
131.08554	9.2
133.10106	10.4
135.08041	3.5
135.11697	53.7
137.05998	2.5
137.09605	2.8
139.07587	1.9
139.11171	3.2
143.08598	2.2
145.10129	8.7
147.11710	3.7
149.13255	29.6
153.12784	2.1
155.07034	3.1
159.11707	12.7
163.11192	5.6
177.00874	1.6
177.12788	5.6
181.04871	2.2
181.12225	11.2
189.18604	1.7
195.13829	10.4
199.13380	2.2
213.14841	2.8
269.17392	1.7
272.59274	1.7
286.86325	1.7
294.04413	1.7
303.01434	2.2
357.24002	3.0
418.76791	1.9
449.29019	71.6
450.29202	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	449.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	7.0
55.01866	5.3
55.05514	27.2
57.03442	14.8
57.07067	5.5
65.03941	4.6
65.74494	1.3
67.05507	100.0
69.03413	2.3
69.07067	32.8
69.50144	9.5
69.50566	3.2
71.01356	3.6
71.04991	7.2
77.03921	2.2
77.32951	1.4
79.05497	80.8
81.03413	9.8
81.07061	89.6
83.04988	17.1
83.08628	16.9
85.06544	7.8
87.42574	1.4
87.71415	1.4
91.05485	42.3
93.07050	94.9
94.07368	1.6
95.04957	13.4
95.08611	30.3
97.06536	17.1
97.10163	9.7
98.21239	5.9
99.04467	2.5
99.08091	4.7
105.04505	3.1
105.07040	15.3
107.04947	3.3
107.08599	50.5
108.00391	1.5
109.06510	3.2
109.10201	9.2
111.08066	7.2
113.09693	2.1
117.07021	12.4
119.08564	7.3
121.06511	3.2
121.10164	24.4
123.11716	1.9
125.09668	4.3
129.07024	2.1
130.07779	1.5
131.08583	9.2
133.10143	12.3
135.08070	4.1
135.11697	51.3
136.12071	1.5
137.09605	2.1
143.08560	2.2
145.10123	12.0
147.11702	2.4
149.13274	32.7
151.11240	2.6
153.12766	2.7
157.10083	1.7
159.11664	12.9
161.13341	1.8
163.11206	7.3
171.11722	1.5
173.13217	1.4
177.12776	7.6
181.04970	1.6
181.12198	8.1
187.14857	1.6
191.59761	1.7
195.13829	12.5
195.52728	1.4
197.13515	1.5
213.14847	2.3
303.01218	1.8
357.24295	3.8
368.82150	1.7
431.27606	4.1
449.29019	81.3
450.29480	3.5
468.06808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20464	1.0
52.03382	1.2
53.03949	7.8
55.01868	5.3
55.05263	1.8
55.05512	27.8
55.76790	1.1
57.03440	13.9
57.07064	3.2
63.84279	1.3
65.03934	5.1
67.05505	100.0
69.03416	2.1
69.06715	1.9
69.07072	30.0
71.01347	3.8
71.05007	9.5
71.08611	1.2
71.34822	1.3
79.05494	80.4
81.03416	8.6
81.07059	92.8
83.04983	15.7
83.08617	15.1
85.06555	7.7
90.92279	1.3
91.05482	40.9
93.07046	96.3
95.04977	14.6
95.08607	23.6
97.06538	25.6
97.10168	11.1
99.08074	3.6
105.04538	1.5
105.07036	14.9
107.04971	3.7
107.08595	60.9
109.06522	4.2
109.10140	9.1
111.08068	7.6
111.11682	1.1
113.06023	1.7
115.05457	2.0
117.07037	11.8
119.08588	11.9
121.06496	4.6
121.10142	22.5
121.85564	1.2
123.08088	1.2
123.11700	3.8
125.09627	4.4
127.03887	1.1
129.06995	2.2
131.08560	11.1
133.10118	13.2
135.08078	3.3
135.11694	60.6
137.09634	1.9
139.11180	1.8
139.68913	1.1
143.08609	1.9
145.10133	10.1
147.11674	3.6
149.13264	33.5
151.11174	2.2
153.01826	2.7
153.05577	1.3
153.12645	1.4
157.10114	2.1
159.11682	11.5
161.13263	2.7
163.11183	8.1
177.12726	6.7
181.05072	1.5
181.12248	10.1
187.14795	1.1
195.13837	12.2
199.13362	2.3
213.06291	1.2
213.14845	2.5
223.28394	1.2
269.17422	1.3
357.24570	1.4
431.27789	1.6
449.28998	83.0
450.29385	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	449.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
54.89037	4.3
55.01880	9.5
55.05515	34.5
57.03433	11.8
57.07072	6.7
60.19896	3.3
65.03921	4.3
67.05508	84.2
69.03436	39.2
69.07071	28.0
70.64040	7.9
71.04993	12.3
74.40572	3.5
79.05061	5.0
79.05499	72.5
81.03428	14.4
81.07062	100.0
83.01335	6.9
83.04972	23.5
83.08609	17.5
85.02869	6.8
85.06547	10.5
91.05480	73.1
93.07053	80.4
95.04963	27.1
95.08617	69.8
97.06509	18.3
97.10184	6.7
98.20969	7.0
98.21511	4.0
103.05470	4.2
105.04515	3.9
105.06369	7.5
105.07021	63.3
105.07669	5.9
107.04970	20.8
107.08602	48.4
109.06522	14.9
109.10148	30.4
111.04474	7.0
111.08078	9.0
111.65750	3.9
117.07021	28.0
119.08595	45.3
121.06516	20.1
121.10140	35.6
123.04433	14.5
123.08080	14.5
123.11707	12.4
125.05994	7.5
125.09618	7.6
127.03935	6.5
128.06250	5.7
129.07008	14.8
130.07878	4.0
130.11609	4.1
131.08575	47.6
133.06497	8.3
133.10152	28.8
135.08072	19.7
135.11676	20.6
137.05986	13.2
137.09645	7.8
139.03946	4.0
141.05463	81.3
141.06618	6.1
141.07045	6.6
142.07765	7.1
143.08548	18.6
145.06516	4.6
145.10130	42.0
147.08066	15.5
147.11687	24.3
149.09633	10.7
149.13258	14.4
151.07518	12.3
151.11093	5.0
153.01842	4.9
153.05455	34.4
157.10133	13.6
159.11682	18.6
161.09627	7.8
161.13286	8.1
163.11186	9.8
163.14809	4.9
167.03409	96.0
167.07047	7.8
167.10635	5.3
169.10130	9.3
171.11716	12.8
173.13251	14.6
175.11206	5.6
175.14876	4.6
177.05493	6.8
179.10660	4.9
183.11703	7.2
185.13254	13.3
187.11209	5.8
187.14877	10.2
189.12711	10.0
193.12312	8.0
197.13214	6.3
199.14871	8.3
201.16365	5.5
205.08542	6.1
205.15823	5.4
207.13730	4.7
211.14839	7.6
215.14368	9.4
217.15871	8.3
227.14299	4.2
231.17444	7.9
233.15355	5.4
235.16898	4.9
245.18915	8.9
247.16998	17.7
255.17499	5.6
261.33145	4.2
273.18539	33.3
291.19601	14.1
303.01266	4.8
303.15930	4.0
357.24152	6.6
365.62738	4.0
375.25534	5.7
395.22290	8.2
403.29807	4.4
407.85175	3.9
413.23315	6.9
413.30618	5.9
431.32031	8.4
449.29370	23.1
472.29544	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	449.2898
Annotation	Xenortide B
Peak:m/z	Relative Intensity
53.03937	4.2
55.01870	2.7
55.05516	18.8
57.03427	5.1
57.07065	4.2
62.13135	1.2
65.03936	1.2
67.01855	1.8
67.05508	45.6
67.05869	2.2
69.03407	1.7
69.06726	1.9
69.07068	18.2
70.39231	5.1
71.05003	7.4
71.55607	1.5
79.05061	2.0
79.05499	36.4
81.07061	47.0
83.04979	5.0
83.08649	6.9
85.06538	3.0
91.03078	1.5
91.04972	1.5
91.05485	20.4
93.07047	43.2
95.04973	6.5
95.08044	2.7
95.08607	33.6
97.06510	4.6
97.10146	4.0
98.21223	2.8
99.08074	1.4
105.07028	13.8
107.08599	25.0
109.06496	7.9
109.10161	14.8
109.41960	1.3
111.08070	2.7
113.09608	1.9
115.05341	1.4
117.06996	5.1
119.08605	11.9
121.10151	20.6
123.04455	1.7
123.08069	3.1
123.11699	4.2
125.09673	2.8
129.07008	3.2
131.08594	9.9
131.89450	1.2
133.10127	12.5
135.11688	20.7
137.05986	17.0
137.09573	2.7
139.07573	1.6
139.11217	2.0
143.08553	1.4
145.10115	5.3
147.08037	1.9
147.11676	6.6
149.09608	2.2
149.13252	9.4
151.07547	2.6
151.11125	2.0
153.01834	14.4
153.05434	4.8
155.07040	100.0
156.07547	1.8
157.10172	2.1
159.11655	5.5
161.13242	5.7
163.03903	2.1
163.11133	1.5
163.14777	3.1
165.09126	1.4
167.07024	10.2
171.11673	3.0
173.11922	1.2
173.13272	6.4
175.07506	1.6
175.14848	3.0
177.12686	2.3
179.03400	4.2
181.04961	38.8
185.13257	3.1
187.14751	2.7
191.06995	2.2
191.14246	2.3
192.04152	5.3
193.04990	1.4
193.08571	2.3
195.13809	2.0
203.12666	1.7
205.04947	9.7
205.15863	1.4
207.17357	1.7
213.16292	1.9
218.13548	1.5
231.06497	2.7
235.16859	1.5
241.19470	3.9
243.64069	1.4
259.20667	8.4
277.21652	25.8
303.15936	1.2
305.13770	8.4
317.17142	1.3
331.19144	2.5
369.56229	1.3
381.99307	1.3
413.26816	26.5
431.27905	70.1
432.28192	2.3
449.29193	5.4
462.65186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
57.03433	0.8
62.60693	0.7
64.93255	0.5
69.03425	2.6
69.70897	1.3
69.71296	2.8
72.52554	0.8
73.06547	0.7
77.13139	0.6
79.01870	3.1
81.03426	5.6
81.07046	1.1
85.02908	4.7
90.88487	0.6
97.02911	3.4
98.21249	2.1
99.04452	0.9
99.08099	5.8
107.01311	2.1
109.02892	5.1
121.02914	0.8
125.02310	3.6
127.03917	8.0
130.04932	0.9
134.44162	0.6
135.10164	1.4
143.03384	5.1
147.07562	0.9
153.01831	100.0
153.02763	3.7
153.51408	0.7
154.02139	1.7
171.02872	11.5
191.07069	0.6
221.85379	0.8
237.41838	0.6
279.05072	0.7
287.05505	7.5
297.03192	0.7
297.05972	3.2
315.07101	13.1
337.03641	0.7
449.10602	0.9
449.16098	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	449.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01871	9.2
55.05519	22.5
55.09590	3.0
57.03446	9.7
57.07071	7.0
63.03042	3.6
67.05511	82.5
68.99847	3.3
69.03432	27.6
69.07079	19.2
69.53336	9.4
69.53762	14.7
71.04987	4.2
79.05499	76.1
81.03420	14.2
81.07066	100.0
83.04979	22.1
83.08609	15.5
85.02913	3.5
85.06570	9.8
91.05491	72.2
93.07053	67.5
95.04980	28.8
95.08042	4.9
95.08616	57.2
97.02914	4.9
97.06534	15.7
97.10196	6.8
98.20770	7.5
98.21426	7.4
99.22715	3.6
105.07043	58.8
105.07736	3.3
107.04949	11.4
107.08597	48.8
109.06551	19.1
109.10146	22.8
111.08097	3.3
115.05480	3.7
117.07043	20.2
119.08586	43.7
121.06495	19.8
121.10145	31.9
123.04441	12.3
123.08086	13.4
123.11722	9.9
125.05991	12.4
125.09640	9.7
127.03943	7.2
129.07014	15.0
131.08569	48.8
133.06477	11.1
133.10149	29.3
135.08049	20.0
135.11713	19.8
137.05972	12.7
137.09634	14.1
139.07486	5.0
141.05481	66.2
141.06612	4.8
141.07047	5.2
143.08607	18.5
144.09314	3.8
145.10136	31.5
147.08035	10.8
147.11703	14.5
149.05876	4.1
149.09622	12.2
149.13266	7.9
150.84033	3.2
151.07553	7.0
151.11145	5.6
153.01923	7.9
153.05479	35.0
155.08505	3.5
157.10159	14.8
159.11717	14.2
161.09634	14.4
161.13272	7.8
163.07629	3.4
163.11198	9.6
165.09102	3.1
167.03419	84.7
169.04871	4.7
169.10124	7.1
171.11732	11.4
173.13255	15.3
175.11189	10.2
177.12813	5.1
179.07059	5.4
179.10748	6.1
185.13310	5.6
187.11093	6.2
187.14807	15.3
189.12791	5.1
195.13983	4.3
201.16437	5.4
205.15869	9.7
211.14857	6.2
214.60576	3.6
215.14342	4.6
217.08792	4.1
217.15926	4.8
223.19591	3.3
227.17953	7.0
235.16975	9.3
247.16927	13.4
249.18561	4.5
255.17363	4.2
273.18518	29.7
291.19476	9.3
303.01547	4.7
303.17941	3.9
343.19464	5.4
357.24225	8.2
395.22290	6.9
396.01016	3.3
413.23111	8.2
430.97354	3.3
431.32028	7.9
449.29053	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0714
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
53.03942	0.4
55.05499	0.8
57.03438	1.7
57.25713	0.2
61.02926	0.3
69.42069	1.1
69.42503	0.9
70.46273	0.2
71.01339	0.3
71.04993	12.5
73.02905	0.2
75.04464	0.5
81.07037	0.5
83.04984	4.2
85.02904	16.4
87.04441	0.6
91.05498	0.4
97.02911	0.3
98.21049	1.0
105.07009	0.3
111.04442	1.1
112.86718	0.2
113.03480	0.3
119.69307	0.3
129.05472	4.4
135.04529	0.2
138.05484	0.3
143.68182	0.2
147.04366	0.5
147.06474	0.4
151.03888	0.3
153.01851	1.0
157.02802	0.6
163.03912	0.4
166.05028	0.4
173.02359	0.8
185.02319	0.4
189.01740	0.4
191.03439	0.5
201.01840	3.7
203.03391	1.1
207.02879	0.3
211.43707	0.3
213.01826	0.8
217.01375	0.6
219.02911	0.9
229.01311	3.8
229.11894	0.5
231.02837	1.4
241.01317	0.8
247.02365	3.9
257.00812	12.5
258.01340	0.3
259.02386	1.5
275.01846	11.5
285.00299	10.3
285.02740	0.2
286.00735	0.3
303.01340	100.0
304.01672	1.5
311.99707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01872	0.4
55.05516	0.3
57.03448	0.5
58.73648	0.4
59.14342	0.3
61.02930	5.9
67.05506	0.6
68.99805	0.6
69.03422	1.7
70.12793	1.9
71.04985	0.7
73.02901	1.4
73.06550	0.7
79.05503	0.6
81.03417	0.8
85.02908	5.8
87.04513	0.4
91.03963	2.5
91.05451	0.4
95.93417	0.4
97.02888	3.6
98.21075	1.0
99.04437	0.7
105.03353	0.6
107.08549	0.4
109.02856	0.9
111.00797	0.6
120.32916	0.4
121.02872	3.1
127.03914	1.1
133.02850	0.6
133.10135	0.6
137.02377	1.0
145.04973	0.5
147.04437	0.5
153.01830	5.7
155.63159	0.4
157.06483	0.5
165.01804	1.8
169.12202	0.4
183.02881	0.9
213.05464	1.1
231.06490	1.2
241.05025	0.9
258.05304	1.2
259.06036	0.5
287.05511	100.0
288.05740	2.4
303.04865	0.4
329.06619	0.4
371.31940	0.4
395.22833	0.4
449.17926	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	449.1079
Annotation	Quercitrin
Peak:m/z	Relative Intensity
56.66599	1.9
57.03455	3.9
60.64140	1.9
70.83167	3.9
70.83521	2.5
71.04642	3.0
71.04993	30.0
85.02905	28.3
86.47968	1.8
103.68653	1.5
111.44122	1.9
112.92476	1.8
129.05493	4.3
137.02371	3.5
153.01851	4.1
165.01868	3.4
187.87555	1.8
201.05525	1.8
229.04918	4.3
257.04446	3.7
303.05008	100.0
304.05341	2.5
315.05106	2.2
345.06174	2.5
413.08801	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Quercitrin
Peak:m/z	Relative Intensity
53.77294	0.5
53.99401	0.5
54.29701	0.5
55.05507	0.7
57.03442	9.4
61.02921	0.7
61.87321	0.5
65.35843	0.5
68.99780	0.8
71.04992	1.5
71.24010	1.1
73.02932	4.8
75.04488	24.8
81.03454	0.7
85.02914	8.7
85.06573	0.6
91.05543	0.6
98.21259	1.0
109.02895	1.1
111.00826	1.4
120.27946	0.6
121.02889	1.4
129.05530	1.2
133.10165	0.7
137.02301	3.6
153.01837	9.4
165.01846	1.7
183.02936	1.4
201.05482	2.3
228.04359	0.7
229.04974	6.0
257.04440	2.9
274.04697	1.4
274.10574	0.6
285.04001	2.0
295.68381	0.6
302.04065	1.1
303.05017	100.0
304.05399	2.9
317.06622	12.1
449.30737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Distichin
Peak:m/z	Relative Intensity
55.01860	1.1
57.03439	2.3
64.05404	0.4
67.05499	0.4
69.03426	1.4
71.01337	0.4
71.04997	6.0
71.57171	0.6
73.02904	1.2
75.04482	0.4
79.01861	0.5
81.03438	0.7
81.07063	0.8
83.04985	1.9
85.02903	8.2
91.05492	0.8
95.08604	0.5
97.02884	1.0
107.01328	0.5
109.02839	0.6
110.03681	0.6
119.04952	0.4
121.10215	0.5
127.03937	0.6
127.07024	0.4
129.05486	1.9
135.08116	0.4
136.07590	0.5
137.02353	1.7
137.06009	0.7
143.03380	0.4
147.04422	0.7
152.98181	0.4
153.01852	7.2
153.02986	0.6
164.07184	0.6
165.09019	0.4
167.03459	0.5
173.02280	0.5
177.05507	0.5
201.01851	1.4
204.04294	0.7
213.01788	0.5
228.04208	2.0
229.01294	1.7
229.04950	1.3
229.11865	0.6
231.02808	0.6
232.83447	0.4
234.99037	0.6
245.04541	0.9
247.02374	1.5
256.03568	0.6
257.00827	5.3
257.04340	0.8
259.02365	0.7
273.04044	0.6
274.04736	3.8
275.01913	5.1
285.00314	4.5
285.03876	1.1
287.05511	1.5
287.13837	0.5
301.03442	9.1
302.04227	27.4
303.01361	41.9
304.01657	1.1
317.06573	100.0
318.06854	2.6
454.60147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.05510	2.6
57.03440	2.5
62.06079	5.0
65.89318	1.3
67.05501	9.1
68.85155	1.3
69.03426	6.8
69.07063	2.5
71.05001	1.7
71.57899	1.5
79.05485	5.1
81.03419	4.1
81.07050	7.8
83.04977	2.4
83.08624	2.4
85.02896	4.4
91.05476	6.1
91.39212	1.4
92.35175	1.3
93.07047	13.1
95.04971	5.3
95.08606	12.0
97.02881	6.5
99.08118	1.5
105.07021	9.8
107.08601	17.9
109.02883	2.0
109.06505	2.9
109.10159	10.2
111.04456	3.1
111.08054	5.3
113.05975	7.0
115.03925	2.0
119.08611	9.3
119.09305	1.9
121.06513	3.0
121.10152	9.1
123.08027	1.6
123.11746	2.2
125.05955	1.4
125.09682	8.5
126.09147	2.3
127.03902	2.4
129.20876	1.3
131.08571	4.3
133.10136	41.0
135.08018	4.8
135.11676	4.6
137.02324	2.8
137.05952	1.7
138.09143	4.6
139.06445	1.8
139.07544	9.9
145.04922	2.2
145.10141	12.6
147.08037	2.7
147.11705	4.0
149.05984	2.3
153.01843	12.5
153.09105	14.0
154.08636	100.0
155.08887	1.6
159.08087	7.3
159.11685	4.3
163.07533	4.0
164.10648	2.5
166.08589	7.2
173.09647	15.4
173.13289	3.2
177.09113	6.2
179.97168	1.4
187.11212	2.5
187.14799	15.7
189.16479	1.4
191.10646	3.8
195.10159	3.0
197.13272	1.5
200.09148	2.4
202.10835	2.0
215.14317	19.6
230.46414	1.4
233.15388	44.2
251.16409	5.5
378.70828	1.4
400.47165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.8
57.07074	8.1
67.05518	9.8
69.07061	5.0
71.04993	1.7
71.08649	1.6
71.57546	1.6
79.05505	4.4
81.07068	12.0
82.07388	2.0
83.08606	2.8
85.06551	3.7
87.52063	1.1
90.12631	1.2
91.05465	1.2
93.07051	4.4
95.04974	2.1
95.08608	15.4
97.10147	2.2
105.07024	2.0
107.04946	10.1
107.08593	4.3
109.10159	11.6
111.04405	1.6
113.05998	2.6
115.80970	1.5
119.08584	1.9
121.06506	2.5
121.10154	4.6
122.07302	21.5
123.08047	8.3
123.11715	3.4
125.05983	6.0
135.08061	6.6
135.11629	2.0
137.05952	2.0
138.06773	2.1
138.15294	1.3
150.06773	65.6
151.07553	100.0
152.08221	5.1
162.06584	1.7
163.07526	5.7
163.11153	2.2
164.08365	2.0
167.07048	2.7
173.09610	2.8
175.07506	2.4
177.09114	4.2
189.09111	7.2
190.62328	1.3
191.10689	33.7
203.10727	1.6
334.92609	1.7
356.26877	1.3
374.28134	74.5
375.28470	2.3
412.33398	79.0
430.34457	14.0
448.18973	3.0
448.35052	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	448.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	27.5
57.07080	12.6
67.05511	21.1
69.07069	44.0
69.54568	29.5
69.54987	22.3
76.39584	8.5
79.05475	19.7
81.07071	48.0
93.07063	23.4
95.08609	100.0
98.21156	28.5
101.06008	9.8
105.07057	15.3
107.08614	39.3
109.10170	74.8
111.11701	12.3
112.46825	8.4
119.08601	24.2
121.10176	32.8
123.11717	38.1
131.08540	7.3
133.10139	22.3
135.11707	21.5
137.13255	15.6
145.10143	11.5
147.11705	25.2
149.13277	15.0
161.13303	12.1
161.87415	7.8
163.14856	20.4
167.07011	40.4
168.07454	11.6
169.08640	9.9
175.11227	11.1
175.14766	12.5
177.16438	9.7
189.12769	15.0
205.19522	30.1
207.13806	22.2
219.21098	17.4
219.70290	9.3
221.15399	10.9
231.17526	10.6
231.31215	7.9
233.22598	9.3
249.18616	18.6
395.33014	12.0
413.34198	34.3
418.08185	10.5
430.34296	17.5
431.35062	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3469
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03932	4.4
55.05512	43.4
56.64009	2.6
57.03433	4.4
57.07079	28.1
57.14881	2.7
58.25668	2.7
67.05502	35.8
69.03438	4.6
69.07070	100.0
70.15856	2.6
71.05023	2.7
71.08622	11.9
71.57838	4.6
76.41290	3.0
79.05502	19.1
79.45740	3.0
81.07059	73.7
83.01344	18.8
83.04977	6.4
83.08618	46.0
85.02876	6.2
85.06551	8.5
91.05471	11.4
93.07044	25.5
95.04958	7.6
95.08042	5.1
95.08614	72.7
97.06532	5.0
97.10174	25.5
99.08090	5.9
105.07050	17.9
107.04946	6.2
107.08620	22.2
109.06522	11.6
109.10162	38.8
111.08081	5.9
111.11729	13.8
119.08580	15.4
121.06497	5.4
121.10143	13.9
123.08076	15.6
123.11710	30.3
125.05999	8.9
125.13257	4.3
131.08562	7.4
133.10115	13.5
135.08049	7.0
135.11713	15.0
137.05989	14.6
137.13283	11.4
139.03960	3.0
139.07558	24.0
141.05409	3.5
145.10062	8.9
146.11778	3.0
147.11668	6.0
149.02321	7.0
149.09627	5.3
149.13362	7.7
151.03905	3.8
151.07574	18.7
151.11189	7.8
151.14813	6.4
153.01808	3.5
153.05449	21.3
153.09062	4.1
155.07021	3.3
157.05038	3.3
157.10226	3.6
159.10423	2.9
159.11685	8.0
161.09714	3.9
163.07535	5.0
163.11118	4.1
163.14803	4.0
165.05476	5.9
165.09114	8.2
165.12698	6.9
167.07037	73.4
171.06644	3.1
173.13246	6.3
175.07610	5.3
175.80865	2.9
177.09090	4.9
177.12808	6.3
179.07013	7.6
179.10689	9.0
181.04982	3.6
181.08586	5.6
181.12245	4.4
189.09085	8.4
191.10648	7.3
193.08629	3.9
193.12299	9.6
203.10620	3.8
205.12189	9.5
207.10138	8.6
207.13751	5.3
219.13815	4.2
221.11661	6.3
233.11766	5.2
263.20187	3.6
291.19556	6.1
305.33859	3.1
319.26022	3.0
347.25516	5.0
369.42401	3.4
373.27490	4.3
401.34268	26.3
411.32422	7.5
425.19479	3.6
429.28470	6.2
429.33743	75.3
447.25134	4.4
447.34818	86.7
448.34561	4.8
449.22372	3.2
467.21277	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3835
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05522	10.1
57.07076	11.2
59.23912	0.9
64.98084	1.0
65.76974	0.9
67.05501	4.5
68.90655	1.1
69.07079	10.3
70.98717	2.1
71.08635	5.5
79.05489	2.5
79.11628	1.0
81.07057	8.5
83.04990	28.1
83.08624	4.3
85.06563	2.3
85.10179	1.9
91.05484	3.8
93.07060	9.0
94.96333	0.9
95.04998	1.8
95.08607	7.2
97.06535	1.0
97.10171	3.5
99.08092	2.0
105.07087	1.1
107.08604	4.2
109.06541	2.6
109.10159	5.0
110.03607	0.9
111.08087	4.7
111.11716	2.1
119.08585	1.2
121.06517	17.9
121.10162	1.7
123.08065	3.8
123.11729	1.8
127.07575	7.8
131.08577	1.7
133.10185	1.6
135.08095	8.0
135.11691	1.6
137.09647	4.6
137.13292	1.2
139.07552	47.9
145.10223	1.2
147.11664	1.5
149.09642	3.4
149.13251	1.4
151.07526	7.9
153.09091	5.5
159.11690	1.2
161.09576	1.1
163.07567	8.5
163.11018	1.2
165.09152	3.1
167.07063	19.5
167.10748	1.6
169.08665	2.7
177.09108	2.5
177.12813	1.4
181.08617	13.4
181.12242	1.3
191.10695	2.9
195.13962	1.3
205.12303	1.7
237.14853	1.7
247.67372	1.1
251.16403	1.5
255.98306	1.1
265.18115	1.2
291.03732	1.1
307.22458	1.0
321.24268	1.1
335.25601	1.6
401.37680	1.1
429.33469	3.3
429.38358	1.2
447.38428	100.0
448.38812	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	3-Dehydroteasterone
Peak:m/z	Relative Intensity
55.05497	23.6
57.07066	28.1
67.05501	21.3
69.07071	63.4
71.08592	10.3
79.05486	12.0
81.07064	48.4
83.01350	8.3
83.08617	22.9
85.06546	14.6
93.07035	13.0
95.08607	21.4
97.10162	9.0
98.20744	26.3
98.21463	27.5
107.08594	7.0
109.10152	21.3
123.11729	12.2
138.93417	6.2
151.07596	13.9
153.05452	8.2
165.09171	7.7
167.03362	7.0
167.07050	100.0
169.04922	12.8
229.38895	8.0
273.33054	7.7
330.86224	6.4
383.89267	7.8
395.16925	7.3
429.33542	38.9
447.21561	12.6
447.30722	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	447.3467
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05513	20.3
57.07081	12.0
67.05510	12.6
69.06725	2.8
69.07072	39.3
69.58591	11.7
71.08611	5.0
79.05475	4.9
80.53530	1.9
81.07054	29.8
82.79136	2.1
83.08624	24.6
86.85753	1.7
91.05463	2.0
93.07036	6.2
95.08604	28.8
97.10183	11.7
98.21387	4.3
105.07027	3.1
106.59431	1.9
107.04937	3.8
107.08598	3.2
109.10146	14.0
111.11710	7.8
121.10233	2.5
122.07250	4.8
123.08025	5.9
123.11707	6.4
125.13280	3.4
133.06476	3.8
137.13205	5.0
139.07553	3.4
147.07997	2.3
149.05894	4.4
150.06757	6.7
151.07547	51.9
152.07886	6.5
167.07045	100.0
169.08620	23.3
169.12163	2.0
173.09558	2.4
175.07582	3.5
177.09123	2.6
179.07054	5.5
179.10796	2.1
181.08720	3.2
189.08992	3.2
191.10654	5.4
192.10980	2.7
193.08588	2.9
203.10739	2.5
207.10214	4.4
215.10822	2.6
221.11710	2.6
227.60338	2.1
233.11844	3.8
276.81464	1.9
347.25732	3.1
373.27429	3.7
429.33527	36.3
447.21918	12.2
447.34488	16.5
474.20999	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3468
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03931	1.5
55.05513	22.5
55.05758	2.7
57.07080	11.1
63.47840	1.4
66.91225	1.5
67.05511	12.4
67.70200	1.3
69.07071	46.9
69.58590	5.8
69.59019	4.4
71.08623	5.9
79.05499	2.4
81.07056	24.4
83.01340	3.4
83.08622	26.2
91.05482	2.9
93.07033	7.4
95.08607	20.9
97.10173	12.0
98.21026	5.2
104.48077	1.3
107.08565	2.4
109.10155	10.6
111.11724	5.3
121.06515	1.5
121.10155	1.9
123.08081	2.7
123.11691	8.7
125.13301	1.9
133.06499	2.8
137.13249	3.5
139.07570	3.2
146.02901	1.3
149.05978	2.4
151.07547	15.0
160.72275	1.7
161.09590	1.4
167.07042	100.0
172.63194	1.5
173.09627	2.7
175.07622	3.4
176.38106	1.3
177.09114	2.4
179.07085	4.5
187.11165	2.3
189.09053	3.5
191.10703	1.6
201.09145	1.7
203.10649	2.2
205.08736	1.7
205.12247	1.9
207.10179	4.4
219.38794	1.3
221.11684	4.2
233.11740	4.6
239.14017	1.7
263.27301	2.7
347.25955	2.4
373.27313	2.9
411.32635	2.5
429.33649	31.8
447.34305	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	447.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.8
57.07079	12.9
57.19949	1.0
67.01859	1.3
67.05511	10.2
69.07072	43.7
70.82478	2.6
71.08636	5.4
75.30802	1.1
79.05495	4.2
81.07061	26.9
83.08620	26.0
85.06560	1.7
85.10195	2.4
91.05494	3.0
93.07066	6.1
95.04963	1.2
95.08611	20.5
97.10182	12.9
98.21161	1.4
105.07095	1.4
107.08611	1.8
109.10166	13.0
111.11742	7.6
119.08514	1.2
121.06536	1.3
123.11725	8.7
125.13272	2.0
130.13448	1.0
133.06488	2.9
135.08104	1.1
137.06015	1.6
137.13264	5.2
139.07555	3.5
140.65779	1.1
147.08078	1.7
149.05983	2.8
151.07561	7.2
151.14854	1.1
152.98557	1.0
159.08186	1.5
159.11766	1.2
161.06017	1.5
163.07579	1.5
165.05531	1.2
165.09189	2.9
167.07048	100.0
168.07452	2.8
173.09560	1.3
175.07576	2.5
176.96016	1.0
177.05611	1.2
177.09172	3.0
179.07059	5.2
179.10741	1.2
187.11179	2.2
189.09154	3.3
193.08565	1.6
203.10728	3.2
205.08690	1.9
205.12202	1.7
207.10133	5.6
207.21159	1.2
215.10680	3.0
221.11656	2.6
233.11668	2.6
245.15712	1.4
248.11659	1.4
263.16418	1.3
263.27390	1.4
291.19601	1.7
317.21048	1.4
319.22565	1.2
347.25775	3.7
389.17505	4.1
403.19247	1.2
404.19620	2.0
419.22177	5.8
429.33658	27.8
430.34238	4.2
432.19281	1.6
447.21634	20.8
447.34021	1.9
448.21826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3104
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
51.51813	1.7
55.05516	12.6
55.61033	2.1
67.05506	63.3
69.07060	7.3
69.59605	11.9
69.60032	3.2
79.05489	18.9
81.07058	66.7
83.01340	11.9
83.08607	3.0
91.05466	7.8
93.07044	15.7
95.08607	50.7
97.06522	3.0
98.21021	7.4
101.83938	2.3
105.07022	7.6
107.08589	4.2
109.06509	5.6
109.10172	21.7
117.06961	3.6
119.08551	4.2
121.10116	7.5
123.08041	4.4
123.11694	11.3
125.05956	2.2
126.29880	2.1
127.07538	7.9
131.08586	4.1
133.10132	4.8
135.08006	5.7
135.11668	2.8
137.09618	3.3
137.13257	6.5
139.07562	6.7
145.10144	2.2
147.11578	2.3
149.05952	4.5
149.13245	2.4
151.07552	22.4
152.04790	2.2
153.05460	3.5
159.11566	2.0
163.07545	6.4
163.14766	2.7
165.09146	13.7
167.07019	8.0
169.08604	100.0
177.05496	2.4
181.08693	9.9
189.09103	3.7
191.07074	6.1
195.06526	36.9
195.10165	3.6
205.08595	3.6
207.10153	6.3
213.07509	7.4
217.19466	2.2
219.10371	2.5
223.09647	14.3
233.11714	4.2
234.29428	2.3
235.13356	3.3
243.21190	2.7
245.11723	2.5
245.15196	2.2
250.72516	2.3
259.13263	3.0
279.15817	2.5
321.20471	2.2
341.20856	2.8
397.39011	2.2
411.29041	18.9
414.58771	2.5
429.29959	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	447.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.4
57.07064	8.9
67.05495	4.3
69.07073	12.0
69.56661	14.6
79.05496	2.9
81.07061	13.5
83.08620	7.3
85.06545	4.8
87.72456	1.8
89.80433	1.9
91.05476	3.7
93.07034	7.6
95.08617	10.5
97.10166	3.3
98.20913	7.8
98.21486	2.7
107.08569	3.6
109.06511	2.4
109.10151	5.2
123.11672	3.3
139.07544	3.6
149.02325	2.3
149.05998	2.6
151.07539	4.7
167.07047	100.0
168.07373	4.5
195.85220	2.1
207.10204	3.6
281.62567	2.3
375.74796	2.4
394.13425	2.0
405.33655	7.1
429.33499	13.5
447.34515	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	447.2743
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
53.03942	7.7
53.70379	4.5
55.01859	5.7
55.05517	31.2
57.07063	10.1
67.05173	5.7
67.05509	76.5
68.84126	5.2
69.03429	7.0
69.07084	28.8
70.73688	10.0
70.74037	9.7
71.05000	6.2
74.23737	4.4
79.05494	54.9
81.07059	92.4
83.04971	10.1
83.08617	10.3
85.06529	7.7
91.05479	81.1
93.07043	52.4
95.04976	12.8
95.08605	55.6
96.08942	5.2
97.06539	8.4
98.21356	6.2
99.61263	4.8
105.04484	5.5
105.07043	60.4
107.04944	6.5
107.08595	45.5
109.10166	32.5
111.08080	7.1
111.11750	5.0
117.07048	29.2
119.08588	42.5
119.20476	4.8
121.06489	5.1
121.10136	29.7
123.11688	5.5
124.42247	4.7
125.05983	5.4
127.03952	7.4
129.06966	12.6
131.08574	49.6
133.02209	5.8
133.10127	46.3
135.11693	18.6
137.05948	17.2
143.08598	9.0
145.10123	18.9
147.08014	6.7
147.11673	18.8
149.02332	9.7
149.09604	15.7
149.13274	11.2
151.03876	8.6
151.07541	19.0
153.05464	8.7
155.04987	5.0
155.07047	100.0
157.04953	5.7
157.10147	8.9
159.11714	16.2
161.13208	6.1
167.07053	54.3
168.07382	10.1
169.08612	14.8
173.11906	5.0
173.13271	16.9
181.04980	80.3
183.11662	9.1
193.08487	6.0
209.08250	6.2
217.15874	7.9
229.19460	6.9
235.17047	6.0
239.17876	7.1
257.18967	11.0
275.20023	43.9
293.20642	5.2
336.33307	5.4
371.21970	10.8
375.76706	5.6
411.25092	9.4
429.25473	9.3
447.26627	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	447.2742
Annotation	CJ 13103
Peak:m/z	Relative Intensity
51.67913	1.6
53.03934	4.2
55.01871	3.6
55.05509	11.5
57.03436	24.0
57.07057	6.5
65.03933	3.3
67.05173	2.5
67.05507	31.4
68.05831	2.5
69.03422	3.1
69.07074	18.4
69.24272	2.1
69.24593	20.0
71.04998	9.6
79.05053	2.7
79.05496	31.2
81.07060	42.2
82.26382	2.0
83.01318	10.7
83.04996	4.6
83.08617	9.5
85.06541	6.5
91.05481	27.0
93.07052	35.1
95.04957	4.8
95.08607	39.8
97.02873	2.5
97.06522	8.5
97.10169	6.5
98.21135	9.8
99.08100	3.8
105.07035	24.2
107.04931	4.7
107.08601	23.9
109.06519	5.3
109.10154	16.3
111.04404	4.0
111.08073	4.9
115.05462	2.1
115.72813	1.7
117.07036	11.8
119.08597	21.6
121.06550	3.6
121.10152	20.7
123.08078	3.5
123.11722	7.0
125.05992	12.9
125.09624	2.0
129.05469	2.6
129.06987	5.9
131.08617	10.0
133.10130	14.8
135.08040	4.4
135.11691	11.7
137.02362	2.8
137.05984	8.0
139.11205	2.1
141.05473	9.6
141.06978	2.4
143.08522	3.6
145.10144	15.2
147.08006	3.4
147.11681	10.0
149.02341	2.3
149.05984	2.9
149.09615	4.4
149.13248	8.5
151.03946	4.3
151.07536	6.4
152.07788	3.6
153.05467	100.0
155.07059	10.0
155.08287	1.9
157.10107	5.1
159.10655	1.6
159.11725	13.4
161.06026	2.9
161.09564	2.9
161.13248	7.5
163.07536	2.7
163.11183	3.3
163.14818	3.6
165.05461	7.5
165.09117	2.3
167.03331	4.1
167.07037	20.0
169.04964	2.1
169.10164	4.0
171.06534	22.4
171.10274	2.0
171.11700	5.5
173.13261	5.4
175.07565	3.4
175.11124	2.2
175.14806	6.0
177.05441	3.9
177.09105	4.2
177.12860	1.9
179.03371	6.9
179.07007	3.9
179.10597	2.6
181.04973	27.6
183.11726	2.7
185.13234	9.6
187.11266	2.7
187.14842	6.6
189.09102	2.9
189.12756	2.7
191.07057	6.6
191.10649	3.2
193.08611	3.2
197.13179	2.3
199.14908	3.9
201.16362	4.9
203.14244	4.5
203.68739	2.1
207.06480	5.3
217.08572	3.7
219.10330	3.9
219.17442	3.7
233.18927	2.2
239.17950	4.7
241.19574	3.2
257.18997	3.6
259.20523	4.1
275.19910	9.2
277.21603	5.8
289.21539	4.2
347.25980	2.9
355.22678	5.4
357.20483	3.5
369.24026	1.9
373.23431	4.6
383.25735	4.0
393.24265	3.9
405.72885	1.9
411.25323	15.2
429.26212	22.1
429.31882	2.9
429.33817	2.9
447.27106	5.3
450.93573	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17425	2.9
53.03939	4.5
55.01875	6.9
55.05510	33.4
56.28106	3.2
57.03447	24.5
57.07075	9.6
65.03922	3.3
67.05509	100.0
69.03414	5.1
69.07064	29.6
70.35793	10.4
71.04998	4.1
71.08624	3.1
79.05495	41.6
81.03417	6.8
81.07061	96.5
81.12290	2.8
83.04974	9.4
83.08624	21.4
85.06516	5.1
91.05487	37.3
93.07043	41.5
95.04963	12.0
95.08608	73.5
97.06534	11.2
97.10166	11.1
98.98465	18.1
99.08080	4.4
105.07032	28.7
107.04953	6.1
107.08592	35.2
109.06499	9.7
109.10164	33.8
111.08064	5.9
117.07011	16.4
119.08591	24.5
121.06493	3.8
121.10170	27.2
123.08039	6.0
123.11715	19.3
123.33606	2.8
125.05984	7.6
125.09653	3.0
127.03906	23.7
129.06990	7.0
131.08569	22.0
133.10133	21.3
135.08037	5.4
135.11690	15.2
137.00002	20.0
137.05962	14.4
137.09621	4.8
137.13202	6.4
139.07503	5.0
141.05418	3.0
143.08508	5.2
145.10155	18.1
147.08037	8.1
147.11681	12.1
149.02267	3.8
149.05974	4.2
149.09587	6.2
149.13245	8.4
151.03911	15.1
151.07550	5.5
151.14787	4.6
153.05458	13.6
153.09164	3.0
155.01060	15.3
155.07037	43.2
159.08072	3.3
159.11702	12.9
161.09662	5.5
161.13269	8.4
163.11148	6.6
163.14789	5.4
165.09067	3.3
167.07042	44.5
169.04999	28.0
171.11800	5.1
173.13243	9.9
175.14827	6.9
177.12674	3.3
181.04965	44.3
183.11707	4.1
185.13280	5.3
187.14819	6.1
191.07109	3.1
193.02634	4.5
193.08530	3.2
195.11769	3.8
197.13342	4.0
201.16451	6.7
205.08569	3.8
219.17438	7.9
237.22115	4.4
243.20847	3.2
244.96687	2.7
257.19034	5.5
261.22141	10.2
275.20172	21.8
311.25931	18.0
329.20975	4.3
387.25284	4.8
393.24097	4.8
411.25351	10.0
429.30872	4.2
447.25812	32.0
447.32355	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	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	10.2
54.04482	2.2
55.01854	6.9
55.05515	28.7
57.03421	8.1
57.07074	3.0
62.86952	1.9
65.03941	4.2
66.57660	2.1
67.05174	3.7
67.05507	56.7
67.90668	1.9
69.03420	4.5
69.07068	16.6
70.81934	4.0
70.82268	3.1
71.01346	4.4
71.04977	7.3
79.05491	66.1
81.03417	92.5
81.07057	52.4
83.04993	20.6
83.08620	26.4
85.02911	3.3
85.06538	3.8
91.04967	4.0
91.05483	55.7
93.07051	61.1
95.04971	41.4
95.08611	24.1
97.02901	3.0
97.06522	12.4
97.10162	14.4
99.08079	3.6
103.05479	3.5
103.76678	2.1
105.07034	34.3
107.04951	16.5
107.08599	37.6
109.06521	5.6
109.10163	9.8
111.08063	12.2
115.05468	4.7
116.06248	2.6
117.07036	15.8
119.04960	2.8
119.08586	28.8
121.06514	10.6
121.10126	14.9
123.08045	7.7
125.09641	8.7
128.06206	4.1
129.07018	20.2
131.08578	22.8
133.06487	7.9
133.10132	13.1
135.08057	5.2
135.11684	47.8
137.09601	5.1
141.07014	2.9
142.07799	3.6
143.08527	5.5
145.06502	11.8
145.10081	15.5
147.08005	6.4
147.11687	7.7
149.09584	8.3
151.07545	29.8
155.07030	4.1
155.08481	4.5
157.10158	17.0
159.08131	4.4
159.11722	3.9
161.09659	4.2
163.11205	12.2
167.08548	4.3
169.10161	2.9
171.11649	5.8
173.09669	2.9
173.13245	3.5
175.11201	11.9
181.12215	7.1
185.13275	4.9
187.11188	3.2
189.11194	3.2
193.12256	34.6
201.12779	3.3
203.14246	3.2
205.12244	4.2
211.11172	2.7
225.12810	3.1
227.12616	2.4
249.14874	5.3
267.16040	3.8
275.19995	3.5
285.17010	3.1
329.21066	5.2
337.21637	8.7
347.21881	2.8
355.22693	16.1
373.23660	8.2
381.00613	2.6
403.24701	7.2
429.26312	14.9
447.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
55.01866	5.8
55.05509	26.0
57.03442	11.8
59.46297	1.7
65.03958	4.3
67.05508	66.5
67.05872	3.7
69.03426	4.1
69.07068	18.3
69.58967	11.3
71.01341	3.6
71.04987	5.7
76.90703	1.7
79.05496	71.4
81.03420	93.6
81.07062	47.7
83.04972	18.2
83.08625	25.1
83.57661	1.7
85.02922	2.4
85.06545	6.4
91.04903	2.8
91.05484	56.6
93.07049	69.9
95.04972	39.7
95.08607	17.5
97.02919	3.3
97.06530	15.5
97.10173	20.4
98.20955	4.3
98.21510	2.3
99.04488	2.1
105.07033	31.9
107.04958	13.2
107.08590	34.0
109.06527	7.4
109.10151	10.4
111.08068	10.8
115.05449	3.8
116.06112	2.0
117.07014	12.5
119.04951	1.8
119.08578	25.5
121.06498	14.1
121.10120	15.8
123.08085	4.9
125.09635	6.8
128.06216	2.8
129.07013	17.8
131.04968	2.7
131.08560	19.7
133.06511	8.8
133.10144	13.9
135.08099	4.4
135.11693	43.7
137.09598	4.9
141.06993	5.2
142.07819	3.4
143.08549	8.4
145.06488	8.1
145.10097	15.4
147.08063	6.3
147.11691	8.3
149.09627	7.2
151.07622	2.5
153.05371	2.3
153.09163	2.1
155.08551	4.1
157.10136	14.6
159.08083	4.5
159.11670	3.4
161.09596	3.4
163.11201	11.9
165.12808	3.6
169.10123	4.2
171.11707	3.5
173.09590	2.2
173.13237	2.0
175.11197	9.3
181.10068	2.4
181.12242	7.1
183.08099	1.9
183.11740	4.2
185.13284	5.9
187.11179	2.7
189.11237	4.1
193.12251	39.5
195.11917	2.8
201.12773	2.8
203.14273	4.6
205.12233	3.2
225.12642	2.5
231.13812	2.5
241.16042	2.1
249.14952	3.2
257.15274	2.1
261.14813	2.6
267.15872	2.3
275.16364	1.9
277.35306	2.3
309.21860	2.3
327.23157	3.5
329.21112	5.4
337.21603	8.9
355.22675	18.3
373.23798	6.8
391.24811	2.2
403.24908	4.1
429.26266	13.5
447.27423	100.0
448.28058	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	447.1287
Annotation	Prunetin 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03943	0.3
55.01858	0.3
55.05508	0.8
57.03434	0.8
61.02918	1.0
67.05495	1.2
69.03419	1.1
69.07053	0.8
71.01336	0.6
71.04981	0.5
71.57268	0.4
73.02921	9.8
73.77798	0.2
79.05483	1.1
81.03413	0.6
81.07053	2.0
83.01331	0.6
83.04969	0.5
83.08620	0.3
85.02914	1.3
85.06532	0.7
91.05480	1.1
91.91235	0.2
93.07026	1.5
95.04981	0.7
95.08611	1.7
97.02905	0.4
97.06536	0.4
97.10153	0.3
105.03349	0.5
105.07014	1.1
107.04940	0.7
107.08594	1.2
109.02907	0.4
109.06514	1.1
109.09393	0.2
109.10166	1.0
115.03922	0.7
117.06940	0.4
119.08585	0.9
121.02872	2.9
121.06480	0.4
121.10126	1.0
123.04466	0.3
123.08052	0.3
123.11701	0.7
125.09616	0.5
129.06996	0.4
131.08566	0.4
133.10115	0.6
137.05965	2.3
147.11665	0.4
149.09592	0.4
151.07513	0.8
153.01828	0.4
153.05409	0.3
156.90244	0.2
157.10139	0.5
159.11664	0.4
161.09651	0.3
161.13261	0.3
163.11139	0.3
165.05492	0.4
165.09221	0.5
167.07076	0.5
171.06625	0.3
171.11827	0.3
175.07510	0.4
177.09149	0.4
179.03397	0.4
179.10704	0.4
179.14313	0.3
181.04959	4.1
185.13243	0.3
193.04948	2.1
198.06866	0.4
213.09088	0.5
233.08081	0.4
240.33109	0.3
241.08620	0.9
243.06677	0.3
259.09708	0.3
265.97214	0.2
269.08014	1.0
277.08698	0.2
285.07468	0.4
285.12286	0.3
286.08429	1.1
287.08820	0.4
289.03452	0.5
300.06503	0.2
301.07043	0.7
313.07135	0.9
313.10718	0.5
315.08621	100.0
316.08923	2.5
317.02859	0.4
318.03705	0.4
319.04559	0.3
325.10666	0.5
337.10400	0.4
369.09567	0.6
397.08832	0.3
415.10294	1.8
447.12628	1.6
447.27039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98671	2.9
53.03932	9.1
55.01860	11.0
55.05515	20.6
57.03441	30.8
61.02643	5.5
61.02930	81.7
62.35279	3.3
65.03945	4.4
67.05511	36.8
69.03436	46.0
69.07056	11.7
69.57413	22.4
71.04980	14.2
73.02919	37.6
79.05496	48.5
81.03424	98.6
81.07070	46.1
83.04973	30.8
83.08624	26.6
84.91806	3.1
85.02908	93.8
85.06539	7.6
91.03960	46.2
91.05473	65.5
93.07047	42.4
95.04974	37.7
95.08597	20.2
97.02905	66.6
97.06533	9.5
97.10142	3.0
98.21337	8.2
99.04456	13.8
99.08134	3.8
101.02365	17.7
103.03935	7.5
105.07038	41.7
107.04958	14.1
107.08589	21.2
109.02871	18.8
109.06497	8.5
109.10157	7.2
111.04430	4.9
111.08092	18.2
115.03915	7.2
117.07036	5.3
119.08585	38.1
119.90372	3.1
121.06516	4.2
121.10159	26.4
123.04457	3.3
123.08088	6.0
127.03933	32.9
129.05466	5.8
129.06992	16.8
131.08580	22.0
133.06520	7.0
133.10129	26.5
135.08090	3.4
137.02313	10.4
137.06023	3.6
137.09578	3.9
139.11136	3.8
142.07777	5.1
143.08542	3.4
145.04945	11.4
145.10152	6.5
147.08067	7.5
147.11713	30.1
149.02298	4.5
149.09631	16.8
151.03891	3.9
153.01878	6.9
157.10133	29.7
159.06535	3.6
163.11253	4.7
165.12804	5.7
167.10660	5.9
175.11172	33.9
183.06516	7.0
193.12268	100.0
193.14063	4.9
201.07407	3.7
211.13298	98.1
262.42258	3.2
267.15952	21.0
285.16998	84.5
429.07916	4.2
447.12634	9.1
447.22269	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	447.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01880	1.7
55.05512	1.6
57.03445	2.9
57.07073	0.6
61.02920	0.7
65.03957	0.4
67.05512	2.4
68.05821	0.3
69.03433	2.7
69.07082	1.6
71.01360	0.6
71.04985	0.9
71.57081	0.4
73.02907	1.0
73.06555	0.7
79.05504	2.3
80.17584	0.3
81.03417	1.3
81.07061	5.5
83.01343	1.1
83.04978	1.6
83.08606	0.8
85.02905	2.7
85.06529	1.0
91.05485	2.5
93.07051	2.6
95.04961	1.1
95.08621	3.9
97.02891	1.1
97.06534	0.8
97.10192	0.6
98.20844	0.4
103.03914	0.4
105.07041	2.7
107.04913	0.8
107.08597	3.0
109.02856	0.6
109.06522	2.6
109.10165	2.5
111.04420	0.7
115.03968	0.8
117.07047	0.8
119.08568	2.5
121.02873	3.2
121.06490	0.9
121.10160	2.3
123.04458	0.3
123.08070	1.1
123.11710	1.6
125.05994	1.3
125.09633	1.5
127.03904	0.5
127.11317	0.3
129.06932	0.3
131.08575	1.1
133.04973	0.9
133.06471	0.5
133.10141	2.1
135.08022	0.6
135.11700	1.2
137.05968	1.8
137.09615	0.6
137.13235	1.3
138.26680	0.3
139.07574	0.4
143.08528	0.8
145.10126	1.3
147.04408	0.5
147.11731	1.7
149.02324	0.9
149.09624	1.2
149.13248	0.4
151.07570	1.8
151.11232	0.5
153.05495	0.8
153.12718	0.5
157.10167	0.4
159.08078	0.4
159.11705	1.1
161.06020	0.4
161.09665	0.9
161.13336	0.7
163.07538	0.5
163.11171	0.6
165.05493	0.8
165.09119	0.6
167.07037	0.9
167.10692	0.4
173.09660	0.6
173.13327	1.0
175.11197	1.2
175.14667	0.5
177.09032	0.6
179.10706	0.6
181.04976	4.3
183.13477	0.3
185.13300	0.4
187.14885	0.5
189.09201	0.4
189.16435	0.3
191.10706	0.5
191.14325	0.4
193.05029	2.1
195.10110	0.3
203.14264	0.4
213.09100	0.5
231.13762	0.6
241.08563	1.4
269.08102	0.6
285.07657	1.9
286.08466	1.3
289.03552	0.6
301.61884	0.4
313.07037	0.5
315.08630	100.0
316.08984	2.3
317.02951	0.4
319.04471	0.3
337.21661	0.4
355.22632	0.4
411.28995	0.9
415.10138	1.6
429.30115	1.0
441.08475	0.5
447.12857	2.0
447.21704	0.7
447.26862	0.9
447.31598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	Trifolirhizin
Peak:m/z	Relative Intensity
57.03432	0.1
67.01846	0.4
68.99793	0.1
69.03411	0.2
69.07082	0.1
70.61337	0.3
70.61706	0.2
73.02901	0.3
81.03415	0.2
81.07057	0.3
83.01332	0.2
83.04978	0.2
85.06546	0.1
91.05489	0.4
93.07052	0.2
95.04969	0.2
96.42013	0.1
98.21060	0.2
105.07062	0.3
107.08577	0.2
109.10165	0.2
111.04461	0.1
119.04922	1.4
121.02878	0.8
121.06525	0.1
123.08083	0.1
131.08437	0.1
133.10069	0.2
145.02853	0.3
149.02385	0.1
152.43568	0.1
153.01797	0.2
163.03888	0.5
165.01834	0.6
167.03412	4.1
169.06342	0.1
183.02911	0.3
186.51363	0.1
187.03886	0.2
197.06058	0.2
211.07608	0.2
229.04916	0.4
239.07054	0.2
243.06587	0.2
247.05966	0.3
257.08148	0.3
267.06534	0.1
283.06000	1.5
285.07584	100.0
286.07913	2.2
300.99969	0.1
303.04984	2.8
324.58017	0.1
331.64023	0.1
438.42349	0.1
447.12802	0.4
453.13840	0.1
471.98346	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47630	2.2
53.03936	2.4
57.96699	2.4
69.03426	4.7
71.56998	4.4
73.04756	5.8
81.03387	5.0
85.02893	5.6
91.05819	20.3
97.02880	7.0
98.97595	4.2
103.05483	7.8
109.02855	2.9
120.07241	5.1
120.08109	100.0
127.03873	6.4
132.10161	4.9
132.35390	2.4
140.99954	2.8
146.65897	3.0
149.05920	3.0
153.01823	24.5
166.08640	44.8
167.05554	6.0
168.05650	3.8
195.03564	2.6
225.04257	4.0
231.02782	3.0
238.05278	4.1
249.00647	2.4
259.02380	3.4
277.03494	12.6
284.05832	3.9
303.01346	5.3
349.71762	2.9
359.02631	3.6
360.02881	13.5
417.46890	2.8
446.11215	6.6
446.16507	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	446.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07072	1.7
67.05503	2.9
69.07065	2.4
69.39285	4.1
70.07412	1.1
79.05477	0.9
81.07053	2.3
82.07391	0.6
82.52310	0.5
83.08631	2.8
91.05490	1.2
93.07040	1.8
95.08601	2.4
98.21160	2.2
109.10167	5.3
119.08624	2.4
121.06516	8.6
122.07312	1.0
123.08031	0.5
135.08067	1.3
136.08836	11.0
137.09628	12.3
138.09914	0.6
149.06015	0.8
149.09613	1.9
151.07578	1.2
152.08322	1.0
163.11162	0.5
164.08344	33.7
165.09123	100.0
166.09468	3.8
167.03407	0.6
167.07045	7.6
168.07439	0.8
177.09091	1.5
177.12749	0.7
178.09639	0.6
187.11215	0.6
189.09084	1.7
190.09897	1.0
191.10690	1.0
203.10654	3.0
205.12267	9.0
206.12743	0.8
231.13652	0.8
315.59674	0.5
351.92081	0.6
373.14279	1.4
374.15079	0.6
387.15945	1.4
388.16510	1.7
389.17480	1.3
402.18323	1.0
403.19083	3.3
415.15146	0.7
416.15961	1.6
417.16837	1.9
419.22211	1.2
428.36536	64.7
429.36868	2.4
430.17300	0.8
431.18311	5.1
446.20697	26.9
446.37729	23.1
447.21692	5.0
447.38046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.6
56.87889	2.9
57.07077	61.2
61.67291	3.0
62.96727	3.2
67.05515	25.7
69.03412	3.8
69.07069	58.2
69.51070	7.1
69.51472	19.1
70.07383	4.0
71.08640	20.9
74.14544	3.0
79.05492	16.9
80.23119	2.8
81.07058	64.7
83.01328	5.1
83.04971	5.0
83.08625	33.1
85.06550	23.0
85.10194	8.5
89.02339	4.1
90.68953	3.2
91.05471	17.6
93.07046	39.2
95.04971	4.6
95.08047	4.4
95.08613	59.7
97.06509	4.0
97.10159	18.8
97.51271	3.0
98.21136	12.7
105.07049	18.0
107.08594	32.0
109.06534	7.8
109.10160	33.6
111.08074	6.3
111.11721	16.4
115.12873	3.1
119.08583	18.0
121.06512	8.2
121.10164	22.8
123.08085	7.7
123.11718	17.4
125.06049	3.8
125.09663	3.6
125.13246	5.8
131.08559	10.6
133.10110	13.7
135.08058	3.6
135.11649	14.9
137.05983	7.7
137.09573	9.3
137.13268	7.0
139.07541	36.3
143.08560	6.7
145.10097	15.4
147.08055	4.4
147.11708	9.9
149.06081	4.9
149.09596	11.8
149.13260	13.5
151.07512	16.3
151.14799	5.9
155.07004	4.5
157.10101	3.8
159.11716	11.4
161.09653	5.7
161.13292	6.8
163.14832	11.6
165.05431	5.8
165.09126	79.4
167.07054	100.0
171.07828	3.4
171.11592	4.1
173.13245	7.3
174.48788	2.9
175.07573	6.1
175.11176	6.6
177.09106	11.8
179.07001	8.3
181.05022	5.1
187.14836	3.8
189.09097	9.3
189.12714	3.5
189.16428	3.5
191.10725	6.1
191.17932	3.7
193.08601	11.7
203.10706	10.0
205.08748	3.7
205.12161	10.1
207.10181	6.4
217.12231	7.7
219.13742	5.1
231.13890	6.6
233.15321	4.0
287.20038	5.8
289.28903	8.9
307.29962	9.8
343.33652	7.1
409.34772	3.5
415.15567	4.3
427.36353	19.6
430.17657	6.9
434.74774	3.7
445.14410	5.3
445.20105	60.9
445.31415	17.7
445.36810	37.9
446.20947	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	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.9
57.07073	5.4
67.05482	2.9
69.07069	7.4
71.08611	1.9
71.19102	1.3
79.05459	0.8
81.07046	4.7
83.08635	3.4
85.06528	1.7
91.05444	1.6
93.07015	2.5
95.08607	4.1
97.10140	1.8
98.20960	0.7
100.19409	0.6
107.08591	2.3
109.10146	3.8
111.11700	1.2
119.08521	1.3
121.06488	0.7
121.10106	1.3
121.23967	0.6
123.11713	1.6
129.06934	0.7
133.10103	0.7
135.08054	0.9
135.11665	0.8
137.09595	3.4
138.62898	0.6
139.03238	0.6
139.07573	1.3
145.10092	0.9
149.09615	3.0
149.13283	1.0
151.07538	1.7
163.11140	1.9
164.08257	0.8
165.09116	31.8
167.07043	8.1
175.07516	0.7
175.11151	1.4
177.09087	2.1
179.06961	0.6
179.10669	0.6
185.08542	0.7
185.13150	0.9
189.09081	1.4
189.12801	1.0
191.10666	2.1
201.12610	0.7
201.16078	0.7
203.10643	2.3
205.12286	3.2
219.13782	0.8
231.13805	1.1
360.14969	0.9
371.13287	0.9
372.13516	1.8
373.14111	1.1
385.14246	1.6
386.15149	2.4
387.16049	6.2
388.16504	1.8
400.17166	1.1
401.13126	1.3
401.17963	4.5
402.18527	3.6
403.18985	1.3
414.14426	2.6
415.10318	1.2
415.15222	11.2
416.15460	3.2
417.21112	3.9
418.21664	0.8
427.35413	2.1
428.16336	0.9
428.36227	1.8
429.17062	8.7
430.17688	13.6
431.18176	2.2
444.19257	1.3
445.20016	100.0
445.33194	2.3
446.20694	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	446.111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98119	1.6
69.03423	3.7
71.56579	2.1
73.04760	6.5
82.38911	1.5
85.02916	4.4
89.52985	1.6
91.05821	15.3
92.05705	1.8
92.48077	1.6
97.02898	4.8
98.21164	1.7
127.03934	4.2
153.01862	11.3
162.05533	4.4
163.06245	5.7
165.04314	2.1
167.05615	6.3
178.03224	12.2
192.04829	3.3
194.02693	18.2
195.03502	54.8
196.04269	25.1
209.05118	2.9
222.05830	2.2
237.02925	2.5
238.05336	61.7
248.03798	3.5
257.70886	1.8
259.02380	2.3
266.04807	18.2
277.03537	6.2
284.05887	79.5
285.06131	2.1
294.10791	2.1
303.01480	5.5
343.99780	2.5
359.02979	2.5
360.02841	10.3
446.11185	100.0
447.11902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22874	3.5
53.03929	6.8
55.01861	7.2
55.05301	3.7
55.05516	40.6
57.07075	58.7
59.01155	3.2
65.06721	3.4
66.13981	4.0
67.05508	19.9
69.07069	79.9
69.73547	3.3
71.04966	3.5
71.08626	28.7
71.55468	5.6
79.05495	17.9
81.07060	74.7
83.04959	8.0
83.08625	55.2
85.06555	11.0
85.10181	13.6
90.43051	3.3
91.05434	6.3
93.07047	31.2
95.04940	4.5
95.08611	53.0
97.06535	7.2
97.10169	29.0
105.07059	10.1
107.08595	30.4
109.06541	7.0
109.10152	36.0
111.08084	8.9
111.11713	21.7
119.08619	4.1
121.06503	6.3
121.10152	13.1
122.10313	4.1
123.08086	9.7
123.11727	17.9
125.13300	5.4
135.11716	17.0
137.05969	8.3
137.13245	8.4
139.07549	100.0
149.13239	17.1
151.07532	17.1
151.14749	4.7
161.09662	4.3
163.14825	13.1
165.05466	11.3
165.09132	56.4
167.07002	33.5
171.11658	4.2
175.11174	7.3
177.09026	4.1
189.09064	4.7
189.12790	6.2
193.08664	16.9
202.09848	3.8
203.10678	11.6
217.12274	7.6
231.13754	11.8
289.28940	14.4
305.21234	4.0
307.29849	21.3
417.37329	3.9
427.35645	12.0
445.20096	4.4
445.37244	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
51.02382	0.9
53.03941	1.4
55.01865	1.6
55.05510	9.8
57.03421	1.4
57.07079	4.3
65.03928	1.1
67.05505	15.7
69.03437	1.2
69.07069	18.2
69.81895	4.1
71.05002	2.1
71.96775	0.8
79.05494	11.4
81.03423	2.2
81.07059	24.1
83.01328	0.9
83.04956	1.7
83.08618	7.7
85.02912	1.3
85.06538	2.8
88.19033	0.9
91.05475	10.1
93.07047	25.6
93.23569	0.8
95.04970	2.6
95.08605	36.6
96.43842	1.0
97.02885	1.1
97.06534	3.2
97.10167	8.2
98.21318	2.3
101.06001	1.6
105.07032	17.3
107.04939	1.1
107.08596	44.6
108.86855	0.8
109.06502	1.3
109.10153	23.5
111.08075	2.2
111.11754	1.5
113.09660	1.1
117.07030	3.6
119.08579	23.1
121.06550	1.5
121.09303	1.8
121.10151	32.3
123.11707	7.5
125.09653	2.9
129.07022	1.6
131.08591	6.0
133.10130	18.6
135.08067	1.5
135.11694	25.4
137.13249	3.8
137.87904	0.9
139.11198	7.7
143.08583	2.5
144.09326	1.5
145.10130	13.9
147.08032	1.2
147.10628	1.4
147.11697	14.6
149.05966	1.2
149.13269	7.9
151.07541	2.6
151.11197	1.3
153.05447	1.5
153.12776	5.8
155.07034	1.1
157.10152	3.7
158.11021	1.0
158.69026	0.8
159.11696	18.8
161.13268	11.3
163.11203	2.1
163.14827	30.2
164.15143	1.3
165.16449	1.1
167.07031	16.7
169.10202	1.0
171.11703	3.0
173.13254	9.6
175.14809	7.0
177.12788	1.6
177.16423	4.4
179.14302	2.4
181.04976	1.7
181.15874	22.2
181.17374	1.6
183.11728	1.6
185.13286	3.5
186.13777	1.1
187.14804	13.3
189.16330	4.7
191.14264	1.1
191.17921	4.8
197.13246	1.4
199.14969	2.0
201.16396	32.6
203.17953	28.6
205.15852	1.0
207.10167	1.6
209.15248	1.3
211.14783	1.5
213.16397	7.4
215.17926	3.5
217.19635	1.3
219.17461	39.4
221.18982	1.9
225.16428	1.9
227.17998	7.5
229.19528	4.7
237.18529	18.4
241.19518	2.9
245.18987	1.4
247.20621	2.4
253.19615	4.9
255.21167	1.7
267.21158	3.3
281.22699	2.2
283.24255	2.6
315.26758	1.2
349.28778	1.3
391.33560	10.7
409.34653	100.0
410.35135	3.4
427.35974	16.9
445.20535	1.5
445.37347	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49247	0.2
53.03939	0.2
55.05512	1.3
57.03418	0.2
57.07069	0.6
58.17118	0.2
62.17741	0.2
67.05180	0.2
67.05505	4.2
69.07068	1.9
70.18714	0.2
71.27233	0.3
72.00016	0.2
72.47456	0.2
79.05484	0.7
81.07058	3.4
83.04982	0.5
83.08624	0.9
91.05492	0.8
93.07061	1.1
95.08612	3.3
97.10159	0.7
105.07027	0.3
107.04914	0.2
107.08588	0.9
109.06504	0.2
109.09452	0.3
109.10158	5.1
111.11700	0.4
119.08583	2.4
121.06517	0.4
121.10146	0.5
122.07320	1.6
123.08068	0.3
123.11711	0.7
133.10124	0.2
135.11752	0.5
136.08817	0.6
137.09624	10.6
138.09912	0.2
139.07527	0.2
139.11243	0.2
139.81363	0.2
145.10107	0.3
149.09654	1.2
149.13237	0.4
151.07559	0.8
151.14815	0.3
153.09030	0.3
159.11714	0.2
163.07565	0.3
164.08322	1.0
165.09117	100.0
166.09460	2.7
167.07033	1.8
177.09041	0.3
181.04958	0.2
189.09145	0.3
203.10655	0.2
205.12297	0.5
275.27292	0.3
293.28333	0.5
389.26727	0.5
427.36316	0.4
445.29428	0.7
445.36331	3.4
454.66061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79487	5.7
55.05513	20.0
57.07086	59.1
67.05509	25.6
69.07085	37.3
69.31533	55.8
71.08629	11.3
72.23218	6.6
79.05480	8.8
81.07056	35.7
83.08610	22.3
84.52295	5.4
85.06543	24.7
85.10168	6.9
90.68886	5.1
91.05410	10.2
93.07030	23.3
95.08611	39.2
97.10162	16.5
98.21268	28.8
101.89120	5.3
107.08585	16.2
107.41862	5.5
109.10149	27.4
111.08060	7.3
111.11721	8.6
119.08588	13.5
121.06538	7.0
121.10185	16.9
123.11715	16.6
127.78883	6.7
131.08664	6.0
133.10100	8.5
135.08069	6.6
135.11710	8.4
137.06021	9.9
139.07582	19.8
145.10178	6.2
147.11716	10.0
149.09619	11.6
149.13303	12.1
151.07489	29.3
165.09123	31.0
167.07025	100.0
177.09114	10.5
177.16235	6.4
189.09154	9.1
195.55138	5.9
203.10745	8.5
205.08499	7.0
207.10110	13.0
219.52713	6.3
317.64923	6.5
359.02914	6.7
427.35703	8.6
431.00275	6.9
445.19955	28.2
445.32837	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	445.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31170	0.5
53.03930	1.1
53.82976	0.4
55.05264	0.7
55.05513	10.9
57.07078	3.3
57.19713	0.4
65.03915	0.7
67.01863	1.5
67.05507	20.9
67.20631	0.4
69.07071	25.2
70.82079	0.4
70.82417	1.0
71.08617	1.1
75.90085	0.4
77.03908	0.5
79.05496	7.3
81.03410	0.5
81.07059	41.0
83.01325	1.3
83.04980	0.6
83.08625	7.1
85.02903	0.5
85.06546	0.4
85.10166	0.6
90.82173	0.4
91.05470	4.4
93.07045	13.2
93.07626	0.9
95.04964	1.2
95.08610	36.8
97.06540	0.6
97.10168	4.5
98.21056	0.8
99.08131	0.4
104.06180	0.4
105.07031	3.5
107.05015	0.4
107.08591	6.6
109.06492	0.7
109.10161	23.7
111.08080	0.7
111.11738	2.4
117.07034	0.8
119.08575	2.7
121.06501	2.3
121.10148	4.3
123.08136	0.6
123.11712	9.2
125.05989	0.8
127.03912	0.5
129.06984	0.7
130.07730	0.5
131.08563	1.6
133.06480	1.7
133.10129	1.6
135.08054	0.9
135.11694	4.6
137.06001	0.9
137.13252	5.5
139.07549	3.5
142.07771	0.5
143.08559	1.2
145.10126	1.1
147.08063	0.8
147.11644	1.0
149.05978	4.5
149.09560	0.4
149.13251	3.2
151.07552	7.4
151.14827	1.4
153.05464	1.0
155.07039	0.8
157.10138	0.8
159.08066	1.3
159.11703	1.0
161.05972	1.7
161.09641	1.4
161.13248	0.9
163.07518	1.1
163.14807	1.7
165.09106	2.7
165.16426	0.6
167.07047	100.0
168.07394	1.1
171.11649	0.5
172.08978	0.5
173.09621	1.7
175.07533	1.7
175.11194	0.8
177.05489	1.1
177.09084	2.0
177.12689	0.4
177.16364	1.2
179.07028	3.4
179.10568	0.6
181.04919	0.6
181.08578	0.6
185.09683	0.5
187.11220	1.2
189.09137	2.8
189.16402	0.4
191.07072	1.8
191.10701	1.4
193.08601	1.8
201.09106	2.3
201.12663	0.4
203.10692	1.4
204.07710	0.6
205.08624	4.0
205.12312	1.3
205.19539	0.7
207.10184	5.2
215.10732	1.8
217.12199	1.0
219.10156	1.2
221.11748	1.6
233.11742	2.1
261.25842	1.0
274.18759	0.4
292.48923	0.5
303.25809	0.5
359.25919	0.6
371.25900	0.5
417.29819	0.7
427.32007	6.0
436.59680	0.5
445.26761	0.8
445.33163	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	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92371	0.5
55.05505	2.0
57.07083	16.2
65.50658	0.5
67.01870	1.8
67.05482	2.5
69.07054	2.4
74.44120	0.6
79.05476	1.5
81.07058	9.9
83.01322	0.9
83.04993	0.7
83.08604	2.1
85.02910	0.7
85.06542	9.8
91.05486	2.6
93.07043	6.8
95.08612	6.3
95.18483	0.5
97.10182	1.1
98.21133	4.9
105.07034	2.5
106.23725	0.7
109.10167	3.1
111.08085	0.7
119.08575	1.0
121.06518	2.5
121.10155	0.6
123.11706	2.3
133.06572	0.7
133.10202	1.4
135.08113	0.5
135.11664	1.2
139.07524	4.7
143.08554	1.1
147.08028	1.2
149.05992	4.8
151.07562	6.2
153.05457	1.4
157.10081	1.1
161.06013	3.5
161.09575	3.2
161.13300	0.7
165.09148	0.7
167.07051	100.0
168.07417	1.8
171.08034	1.3
174.06812	1.7
175.07567	6.4
175.11209	0.7
177.09146	1.0
179.07040	2.5
181.08633	1.2
188.08392	1.4
189.09111	10.6
191.10701	1.0
191.17914	1.7
193.08627	2.1
199.11188	1.2
202.09988	0.7
203.10703	3.5
207.10162	6.6
208.51237	0.6
217.12215	1.3
229.67548	0.7
427.32095	2.7
445.33173	55.9
446.33557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3309
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
50.16284	0.6
55.01867	0.6
55.05513	7.0
57.03435	1.0
57.07076	53.8
67.01852	2.1
67.05180	0.9
67.05503	11.3
69.03416	1.1
69.06724	0.7
69.07068	11.9
71.04962	1.1
71.57408	0.7
78.40865	0.6
78.69245	0.5
79.05495	4.2
81.06584	1.2
81.07056	19.4
83.01337	1.2
83.08620	5.5
83.23212	0.6
85.06543	38.1
91.05435	3.3
93.07043	9.4
95.04939	1.7
95.08606	17.1
97.10189	2.9
99.08070	1.2
105.07040	3.7
107.04875	0.6
107.08575	4.3
109.06497	0.7
109.10162	11.4
111.08086	0.9
111.11703	1.5
119.08567	2.7
121.06552	3.1
121.10141	3.3
123.08077	0.9
123.11699	7.0
124.03661	0.5
125.05975	0.7
127.11227	0.6
129.12776	0.8
131.08566	1.6
133.06435	1.2
133.10118	2.4
135.08064	1.6
135.11668	2.4
137.05972	1.5
137.13258	2.6
139.07549	4.2
139.11179	0.6
142.07822	0.8
143.08545	0.9
145.10112	1.3
147.08063	1.0
147.11703	1.2
149.05992	5.5
149.09595	0.7
149.13248	2.1
151.07538	15.4
151.14713	0.8
153.05463	1.7
155.07037	0.9
157.10147	1.4
159.08028	1.3
161.05983	4.1
161.09622	2.3
161.13234	1.5
163.03650	2.3
163.07506	0.9
163.14830	1.0
165.05489	1.3
165.09108	3.3
167.07040	100.0
168.07330	0.8
169.08694	1.0
169.10141	0.7
171.11644	0.6
171.78528	0.5
173.09651	0.8
175.07515	4.1
175.11214	1.3
177.05518	0.6
177.09103	2.1
177.16441	0.9
179.07047	5.4
179.17967	1.5
181.04872	0.7
181.08588	0.9
185.09700	1.0
187.11293	0.8
187.14844	0.6
188.08331	0.8
189.09113	7.8
189.12733	0.7
189.16508	0.7
191.07043	1.2
191.10701	1.7
191.18001	1.1
192.07785	0.6
193.08598	3.0
193.19595	0.9
199.11223	0.8
201.09103	1.0
203.10641	3.4
205.08588	1.8
205.12234	1.4
207.10159	10.4
207.75012	0.6
215.10754	0.8
217.12292	2.0
219.10089	0.7
221.11748	1.3
235.13420	0.9
267.26740	0.8
275.16360	0.6
293.17575	0.6
293.20984	0.6
345.24344	0.7
361.27502	2.4
371.26059	1.0
399.32870	1.1
409.30975	0.7
417.29544	2.7
427.31989	9.1
445.33179	43.1
446.33710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.3
57.07079	61.0
64.32226	0.9
67.01852	2.1
67.05516	5.5
69.07075	8.3
70.15385	4.5
71.05023	1.0
73.86332	1.0
79.05486	2.4
81.07059	12.7
81.77096	1.0
83.08620	3.2
85.06546	36.4
88.49853	0.9
91.05490	2.2
93.07053	8.8
95.08614	10.6
97.10157	3.0
98.20966	1.8
105.07049	1.7
107.08596	2.1
109.10175	8.5
111.08141	1.1
121.06503	2.4
121.10191	1.3
123.11710	5.5
135.11638	1.5
137.13222	2.2
139.07518	4.2
149.05983	3.4
149.13283	1.3
151.07549	13.6
153.05495	1.2
159.08092	1.3
161.06032	4.0
161.09677	2.5
162.68024	0.9
165.09081	1.7
167.07047	100.0
168.07393	1.5
175.07605	4.0
175.11229	1.0
177.09178	1.8
179.07010	6.0
185.09660	1.2
188.08289	1.2
189.09116	7.1
193.08638	2.2
201.08994	1.5
203.10661	3.6
205.12256	1.5
207.10153	6.8
217.12175	1.6
221.11719	1.1
271.65610	0.9
327.23184	1.3
371.25934	1.9
417.29935	1.4
427.32129	8.9
445.33188	33.7
446.33676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.1
55.07792	0.8
57.07079	54.1
63.51752	0.8
66.77532	0.8
67.01847	1.8
67.05497	5.4
69.06772	0.8
69.07069	9.8
71.04985	0.9
78.79364	0.8
79.05465	1.6
81.07057	15.3
83.01334	1.1
83.08612	4.2
83.88198	0.7
85.06548	39.6
86.06843	0.7
91.05470	2.7
93.07053	6.5
95.08618	11.0
97.10170	2.6
98.21107	4.2
105.07015	1.6
107.08598	2.2
109.10157	8.3
111.11687	1.3
119.08559	1.7
121.06490	2.2
121.10149	1.7
121.42350	0.8
123.11703	6.0
127.11163	1.5
133.06462	0.8
133.10156	1.7
137.13240	2.6
139.07539	3.1
143.08607	0.8
143.52180	0.8
147.08034	1.5
149.05928	4.9
149.13255	2.5
151.06432	1.1
151.07556	12.9
161.06010	3.2
161.09647	1.8
163.14850	0.9
165.09129	2.5
167.03362	1.9
167.07047	100.0
168.07332	2.1
175.07553	4.6
175.11044	1.0
177.09155	2.5
179.07021	6.1
181.08575	1.1
185.09731	1.1
189.09085	7.1
189.12830	1.1
191.10777	0.9
192.07851	0.9
193.08577	2.6
199.11201	1.0
201.09154	2.1
203.10667	3.4
205.19524	1.0
207.10181	9.6
217.12262	1.2
221.11876	1.6
229.55037	1.0
231.13651	0.9
267.26816	1.1
361.27390	1.9
371.25824	1.0
399.32788	0.8
417.29932	2.3
427.32034	8.6
443.54800	1.0
445.33148	32.2
446.33704	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	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32006	1.1
53.03945	3.9
55.05517	10.1
57.07069	4.7
58.09504	1.0
65.03936	2.1
66.64425	0.9
67.05510	42.6
68.05840	1.2
68.15941	1.0
69.03432	3.5
69.07072	10.4
69.61182	5.6
69.96233	0.9
71.04992	4.7
73.06559	3.0
79.05502	14.5
81.07063	49.9
83.04983	5.6
83.08626	3.5
83.97022	1.1
85.06554	2.6
86.84825	0.9
91.05473	8.2
93.07053	16.4
95.04996	2.5
95.08609	41.1
97.06523	1.4
97.10181	3.2
98.20842	1.7
98.21499	2.1
103.45551	0.9
105.07032	8.0
107.04972	1.7
107.08604	12.0
109.06562	3.0
109.10159	21.3
109.50912	1.0
111.04430	1.2
111.08096	1.2
111.11674	1.1
117.06991	2.4
119.08553	6.0
121.06522	4.1
121.10138	9.2
123.08085	10.3
123.11716	13.2
125.05984	6.6
127.03962	1.5
131.08563	4.5
133.10120	5.1
135.08063	10.7
135.11696	9.4
137.05971	2.1
137.09596	1.5
137.13289	3.3
139.07552	4.5
141.05466	1.1
145.10132	3.1
147.08086	3.3
147.11726	3.5
149.05966	1.9
149.09637	4.6
149.13254	3.0
151.07549	100.0
151.14854	1.2
152.07965	1.2
153.05582	1.2
157.10188	3.0
159.08072	1.3
159.11717	3.1
161.06071	1.1
161.09608	2.7
161.13292	2.0
163.07538	5.4
163.11237	3.6
163.14876	3.4
165.09113	4.6
167.07057	17.6
168.07422	1.0
169.05060	1.3
169.08673	1.3
173.09654	2.8
173.13263	1.5
175.07521	1.9
175.11293	2.0
177.09076	7.3
177.16406	2.9
177.89177	0.9
185.08121	1.7
185.09673	1.5
187.11217	2.0
187.14799	1.3
189.09140	7.1
189.12811	1.4
191.10675	25.8
191.17880	1.5
193.08505	1.4
201.12807	2.1
203.10660	2.4
205.12291	2.6
217.12157	1.2
217.19687	1.8
243.21175	1.9
245.11597	1.3
261.22171	2.1
285.22171	2.8
289.25607	1.2
303.23346	2.4
417.29718	2.2
427.28360	4.6
445.20248	1.7
445.28796	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	445.2588
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
53.03934	5.7
55.01880	3.8
55.05510	19.2
57.07068	2.6
57.45186	2.1
65.03941	6.5
67.05508	92.8
69.03411	7.8
69.07070	14.8
70.62273	7.1
71.04990	6.6
79.05503	41.2
81.03413	5.5
81.06573	5.3
81.07063	100.0
83.01359	4.4
83.04985	7.9
83.08598	6.7
88.04476	2.3
91.05482	30.2
93.07046	34.7
95.04970	12.3
95.08615	65.2
97.02843	2.7
97.06512	4.9
97.10188	3.3
98.21033	3.3
105.07041	25.6
107.04906	5.9
107.08595	18.7
109.06503	9.2
109.10165	31.0
111.08080	4.2
117.07025	15.3
119.08588	17.0
121.06506	14.2
121.10137	17.8
123.08057	10.5
123.11726	19.6
125.05984	14.9
125.09658	2.8
129.07002	6.9
131.08580	16.8
133.06462	4.6
133.10126	15.0
135.08011	9.2
135.11668	10.1
137.05975	5.2
137.13229	9.7
139.07527	5.9
143.08551	8.2
145.10104	15.2
147.08064	3.6
147.11711	11.0
149.05980	3.7
149.09610	5.2
149.13274	8.4
151.07541	17.5
153.05472	13.1
155.07025	20.2
157.10156	5.1
159.08061	3.7
159.11668	6.4
161.09615	7.5
161.13278	6.1
163.07533	3.7
163.11224	4.2
163.14804	3.0
165.05389	2.9
165.09071	4.0
167.05655	2.8
167.07056	57.8
171.11615	5.5
173.09708	2.9
173.13284	3.2
175.07549	3.4
175.11241	6.0
177.05463	9.3
177.09113	4.0
177.16380	5.1
178.06265	5.5
179.07037	7.8
179.10625	2.7
181.04950	36.2
181.08508	4.9
183.11859	2.7
185.13348	3.3
187.11110	2.9
187.14824	3.5
189.16289	2.7
191.07057	22.4
191.10623	4.4
193.08617	8.7
193.12283	4.4
195.13821	4.2
202.09865	3.0
205.08601	8.4
205.12241	5.8
207.06497	3.5
207.10155	6.7
209.15341	3.1
217.08620	3.8
219.10132	6.2
221.11665	6.6
229.08583	7.6
231.10248	13.7
233.11725	25.3
241.19595	3.0
244.10858	4.1
245.11784	6.5
249.11118	4.7
255.17366	2.9
273.18469	12.2
285.22037	4.1
290.28036	2.6
303.23068	6.1
315.07327	2.6
328.31995	2.2
361.20013	6.9
372.19205	3.2
403.24921	4.3
409.23624	6.6
427.24255	28.3
445.25424	14.9
445.30835	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	445.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01871	6.1
55.05511	33.9
55.77623	4.3
57.03424	6.9
57.07072	30.2
58.22721	4.4
61.57973	4.7
63.37840	4.6
65.03949	7.5
67.05509	69.9
69.03430	10.9
69.07069	43.4
71.04978	5.9
71.57216	7.8
79.05494	60.7
81.03407	17.6
81.07061	100.0
83.01327	11.7
83.04972	15.2
83.08626	18.0
85.06540	14.8
88.20469	5.2
91.05457	31.2
93.07054	55.2
95.04967	9.6
95.08614	88.4
97.02920	7.0
97.06516	7.7
97.10144	6.1
99.04453	4.9
105.07034	39.6
107.04949	10.0
107.08578	38.2
109.06553	9.5
109.10169	46.4
109.78366	4.2
111.08112	5.7
111.11744	5.7
117.07025	12.2
119.08583	35.7
121.06513	11.6
121.10162	32.3
123.04418	4.9
123.08054	5.7
123.11714	18.0
125.06023	8.4
127.03959	5.6
129.07005	13.0
131.08522	23.1
133.10135	20.0
135.08063	7.3
135.11688	14.9
137.06004	11.4
137.09593	12.1
139.07491	9.7
143.08574	7.2
145.10086	15.8
147.11714	19.8
149.06020	9.0
149.09653	7.4
149.13228	11.2
151.07556	22.4
151.14812	6.9
153.05458	12.5
155.07050	23.8
157.10173	6.7
159.08121	6.2
159.11690	9.1
161.09644	5.3
161.13287	5.5
163.11244	5.2
163.14853	6.2
165.05460	6.5
165.09109	75.1
166.46167	4.8
167.07057	84.3
169.08733	5.6
169.10081	4.9
171.11711	8.4
173.13287	9.5
173.16438	4.3
175.07486	5.3
175.11079	5.3
177.05489	7.9
177.09184	4.9
177.16454	7.0
179.07077	6.5
181.04977	71.1
183.11774	4.8
187.14838	8.5
189.09161	6.0
191.07063	8.9
191.10602	5.2
195.06532	15.0
203.17897	7.1
205.08574	7.4
209.11491	6.7
215.14362	6.8
273.18411	8.2
287.75052	4.4
303.26746	5.9
303.61407	5.5
399.32605	5.6
409.34494	6.4
417.20782	6.1
427.28177	34.8
445.20767	65.1
445.28848	29.6
445.33972	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01865	4.1
55.05512	13.9
63.29276	1.4
65.03936	3.0
67.05505	89.0
67.41759	1.7
68.99770	2.5
69.03422	4.4
69.07067	11.4
71.04991	3.5
71.45746	2.5
71.46058	1.9
79.05490	24.4
81.07059	100.0
83.01336	4.9
83.04970	6.5
83.08604	5.0
85.02862	1.9
85.06507	1.8
91.05473	17.7
93.07050	26.9
95.04967	5.5
95.08609	80.5
97.02888	2.5
97.06547	2.8
97.10168	2.8
98.21023	2.5
105.07025	16.0
107.04948	4.8
107.08603	17.7
109.06487	4.9
109.09454	2.3
109.10161	35.0
111.04443	2.2
111.08089	2.4
117.06990	6.5
119.08562	10.1
121.06506	7.6
121.10149	15.5
123.08073	6.2
123.11713	27.6
125.05996	14.6
129.06949	2.5
131.08571	10.6
133.10095	9.8
135.04370	2.5
135.08078	4.6
135.11674	11.5
137.05902	3.7
137.09573	1.8
137.13274	9.5
139.07549	7.6
142.07758	2.2
143.08604	2.4
145.10101	7.1
147.08031	4.9
147.11674	5.8
149.05984	5.6
149.09587	3.3
149.13264	7.1
151.07542	17.8
151.11166	1.7
151.14857	3.3
153.05516	4.2
155.07010	5.5
155.08434	2.0
157.10089	3.5
159.08092	2.6
159.11693	4.5
161.05977	3.1
161.09583	3.4
161.13257	4.7
163.07513	4.0
163.11140	2.1
163.14827	4.8
165.05466	1.6
165.09106	2.4
167.07039	48.7
167.10626	2.0
171.11690	4.0
173.13210	3.4
175.07487	2.3
175.11171	3.4
177.05478	4.9
177.16397	5.8
178.06232	2.4
179.07031	6.1
179.10703	2.5
181.04956	11.1
181.08560	2.4
185.08081	2.7
185.13174	1.9
187.14876	2.9
189.12717	3.0
189.16353	2.0
191.07033	17.0
191.10747	2.5
193.08641	5.7
193.12309	2.2
195.06523	7.1
199.06030	4.9
201.12709	2.2
203.10728	2.4
205.08604	6.5
207.10182	16.1
217.08643	2.6
217.19678	2.9
219.10185	4.4
229.08575	8.0
231.10175	49.4
233.11743	20.2
241.19518	4.3
243.10249	3.7
244.10890	3.3
249.11139	6.6
251.12868	2.7
257.11716	2.1
259.13281	1.8
259.20609	2.6
261.22189	1.8
263.12881	2.6
271.13156	2.3
285.22162	6.5
303.23267	10.3
307.19608	1.9
317.17618	2.1
343.19012	3.4
346.95337	1.7
353.20914	1.9
357.20566	2.5
361.20151	5.0
409.23004	2.6
409.27509	4.6
427.24335	9.2
427.28534	12.0
445.28882	18.9
445.33795	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	445.2584
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
52.03280	3.9
53.03939	10.4
55.01877	4.8
55.05526	22.7
57.03432	8.7
65.03949	7.0
67.05506	70.9
69.03432	22.4
69.07057	17.8
71.04992	7.4
72.84330	4.1
75.76423	4.0
77.03934	4.5
77.41154	4.0
79.05499	73.4
80.92796	4.3
81.03425	8.4
81.07059	93.1
83.01335	12.9
83.04988	22.0
83.08642	8.9
91.05476	74.7
93.07053	63.4
95.04984	28.6
95.08609	73.8
97.06533	12.7
97.10159	8.2
101.51086	4.4
105.07029	63.6
107.04993	12.5
107.08599	42.5
109.06529	18.6
109.10149	16.5
111.04498	5.8
111.08111	4.4
115.05452	5.9
117.07008	34.0
119.08581	38.8
121.06501	16.0
121.10160	25.5
123.08049	9.1
123.11731	5.5
125.06026	6.7
128.06200	6.6
129.07007	17.2
131.08571	47.1
133.06500	9.0
133.10129	28.4
135.08022	24.8
135.11687	12.6
137.06012	16.3
137.09590	6.2
139.07544	6.8
142.07823	8.8
143.08569	17.4
145.06487	5.9
145.10129	47.4
147.08052	18.5
147.11685	17.7
149.09628	15.5
149.13226	7.5
151.07573	31.4
153.05473	11.9
155.07027	79.5
155.08362	6.6
157.10144	17.4
159.08127	5.2
159.11722	11.8
161.09641	6.4
161.13251	10.0
163.11128	6.3
165.09151	8.0
167.07051	80.4
169.10074	6.8
171.11742	10.1
173.09584	9.8
173.13214	5.2
175.07545	10.7
177.09109	4.6
179.07060	12.3
179.10623	10.8
179.26340	4.3
181.04974	100.0
181.10179	5.7
183.11668	5.0
187.11099	4.7
187.14879	6.9
189.09030	5.3
189.12762	5.6
191.07042	50.3
191.10690	4.9
193.08623	16.3
197.13373	5.8
205.08621	16.7
207.06551	13.7
207.10161	10.0
209.08109	5.8
217.08661	10.2
219.10223	15.5
228.07721	4.6
229.08617	5.5
231.10254	13.8
231.17470	6.6
233.11662	10.1
235.09613	7.4
237.16338	8.9
241.08572	4.5
243.10214	16.5
244.10957	12.8
245.11777	7.7
245.18993	9.6
247.17015	7.5
255.17516	8.1
261.11041	6.2
273.18497	39.8
291.19421	11.5
383.22241	8.4
401.23355	8.4
409.23871	21.1
427.24774	69.8
445.25531	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	445.111
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
55.31030	5.9
59.68488	6.0
68.52921	5.5
71.54946	7.9
72.08129	6.3
77.32819	5.8
86.06075	9.5
108.78131	6.5
119.01900	6.5
153.01830	7.9
161.02766	6.2
194.71307	7.2
353.15247	7.3
383.86240	6.6
403.01553	8.1
445.11349	100.0
446.11157	8.1
451.69504	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	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.05500	5.3
57.03425	17.2
63.68113	4.6
69.03419	9.5
71.14601	9.6
73.04749	18.0
81.03402	10.8
82.39279	5.0
85.02878	13.1
91.05828	43.7
93.07000	5.2
95.04992	5.2
97.02872	10.2
98.20982	7.5
99.04449	14.9
100.66058	4.2
103.03893	6.1
103.05448	6.9
105.07018	5.0
107.04952	5.4
109.02873	16.7
117.05502	40.7
119.36140	4.8
121.06483	14.0
127.03927	16.2
134.80597	4.2
137.05983	12.7
143.03407	6.2
149.05966	20.2
153.01840	63.5
155.07028	4.9
165.05591	5.2
167.05591	15.0
167.07019	100.0
170.06360	8.3
177.05478	43.2
189.69112	4.5
191.07127	5.1
195.02560	4.4
198.39705	4.7
201.07567	8.1
209.08110	27.9
225.04303	8.8
225.07568	7.8
227.09100	62.2
265.10550	8.4
301.12744	8.6
303.92862	5.0
359.02728	34.0
432.27399	4.4
445.17676	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	445.2586
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
50.54305	2.0
53.03935	3.7
55.01865	4.9
55.05515	14.4
57.03428	5.2
57.07061	4.2
65.03930	3.2
67.05171	3.8
67.05506	49.2
69.03429	11.4
69.07048	9.7
70.54055	6.1
70.54423	2.6
71.04973	3.2
79.05062	3.4
79.05492	46.9
81.03387	6.7
81.07059	58.8
83.01328	4.1
83.04966	7.2
83.08600	7.1
85.02892	4.8
85.06521	5.0
86.70177	2.0
86.82755	1.8
90.03056	2.4
91.05466	44.8
93.07050	42.3
95.04960	13.6
95.08042	3.3
95.08611	41.8
97.06516	6.8
97.10152	3.4
98.21221	3.9
101.61435	2.1
103.05473	2.7
105.06387	3.0
105.07023	37.5
107.04932	9.6
107.08588	23.0
109.06493	14.1
109.10161	12.3
111.04453	2.6
115.05453	2.8
117.07037	14.9
119.08581	24.4
121.06506	6.4
121.10150	16.8
123.04397	2.4
123.08051	8.8
123.11669	5.6
125.05988	3.0
125.09610	5.6
127.03943	3.5
128.06212	2.6
129.06976	8.5
131.08568	22.9
132.39587	2.0
133.06474	4.4
133.10136	15.4
135.04396	1.9
135.08073	9.7
135.11668	7.5
137.05977	7.7
137.09576	2.7
139.07500	5.4
142.07733	2.8
143.08554	10.8
145.10136	15.9
147.08054	7.8
147.11664	6.8
149.06012	3.5
149.09555	4.8
149.13156	3.2
151.07545	37.6
151.11133	4.2
153.01819	2.9
153.05440	7.4
155.07002	17.5
155.08411	4.0
157.10088	7.2
157.70546	2.3
159.08041	5.4
159.11636	5.8
161.05997	2.8
161.09576	6.5
162.06696	2.7
163.07521	4.9
163.11188	4.2
163.14732	4.1
165.05457	2.6
165.09125	5.3
167.05618	4.1
167.07040	50.5
169.10056	3.8
171.11644	7.6
173.09610	3.7
173.13252	5.9
175.07469	7.0
175.11188	3.2
177.05464	6.6
177.09163	3.1
177.12854	2.7
179.07022	16.5
179.10709	4.7
181.04964	32.9
181.08575	3.7
181.10051	2.9
183.11703	2.6
185.09625	3.1
185.13269	3.3
187.14723	4.0
188.08310	4.3
189.09094	4.7
189.12778	2.6
191.07036	37.8
191.10640	4.2
193.08551	7.2
195.10156	2.8
201.09077	2.7
205.08588	19.3
207.06502	4.9
207.10129	9.4
209.08078	3.1
215.14325	2.2
217.08560	9.3
219.10175	11.3
219.13731	4.3
221.08081	3.7
225.09064	3.4
229.08563	9.8
231.10173	8.9
233.11801	2.2
235.09578	5.5
243.10237	14.0
244.10968	11.5
245.11707	4.0
247.16853	4.6
257.11685	3.6
261.11118	2.9
271.13110	2.4
273.18439	7.3
335.60333	2.3
353.24619	3.3
381.24127	3.5
383.22092	7.5
385.23636	2.6
389.23123	2.1
401.23062	7.3
409.23438	10.3
427.24731	36.4
445.25674	100.0
446.26065	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	445.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58108	3.0
53.03950	6.9
55.01876	6.7
55.05515	14.9
57.03430	7.1
65.03940	3.5
67.05506	81.1
69.03425	4.7
69.07066	32.0
70.83358	7.2
70.86185	3.5
71.05000	6.8
79.05495	67.1
81.03425	6.5
81.07060	100.0
83.01328	8.8
83.04979	9.0
83.08624	15.8
85.06543	4.4
91.04963	4.6
91.05479	47.6
93.07053	66.3
95.04970	19.1
95.08607	57.5
96.52702	2.6
97.02898	4.4
97.06529	34.2
98.20862	2.8
98.21380	3.4
105.07028	35.0
107.04964	7.7
107.08589	36.7
109.06506	8.7
109.10146	22.4
111.08058	5.4
117.07024	18.8
119.08569	31.1
121.06521	10.6
121.10143	29.8
123.08089	4.3
123.11729	14.8
125.06036	5.5
128.06204	5.3
129.07018	12.9
131.08572	30.0
133.06482	5.2
133.10118	30.4
135.08075	6.5
135.11703	21.9
137.05988	10.2
137.09671	4.5
137.13237	3.3
139.07558	7.5
141.07019	6.1
143.08577	14.0
145.10101	23.4
147.08047	11.6
147.11714	15.0
149.09610	8.0
149.13252	16.1
151.07532	13.3
151.11101	4.2
153.05443	16.4
155.07036	71.4
155.08418	4.5
156.07465	2.9
157.10155	11.0
159.11679	22.2
161.09644	8.7
161.13258	5.9
163.11269	3.7
165.09030	4.3
165.12746	3.7
167.07043	35.5
169.08751	3.4
169.10123	8.2
171.06575	3.3
171.11719	9.7
173.09679	4.0
173.13217	5.0
175.07506	5.8
175.11169	6.4
175.14825	4.4
177.12726	4.6
177.16434	3.2
178.46489	2.5
179.07095	5.5
181.04961	87.4
181.08595	5.2
181.10098	3.6
182.05360	3.6
185.13263	7.2
187.11197	5.6
187.14912	3.6
189.12770	5.2
189.16417	4.4
191.07042	13.0
191.10602	3.0
193.08643	9.3
195.13809	36.3
197.13196	4.1
199.14833	4.8
205.08539	6.2
207.10114	3.6
209.08084	4.7
213.12914	3.4
213.14809	8.2
213.16504	5.7
245.19043	9.2
247.55739	2.9
255.17448	6.9
263.20117	5.9
273.18503	54.6
275.20306	3.2
291.19559	10.4
331.19016	4.5
349.20102	12.4
385.92462	2.9
391.22495	8.0
409.23776	22.0
427.24371	13.6
445.25681	12.8
445.30508	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	445.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
54.20514	3.5
55.01868	9.1
55.05509	21.0
57.03434	6.5
57.07067	4.7
65.03952	4.5
67.05505	79.7
68.53069	3.7
69.03422	9.1
69.07072	24.0
69.55756	11.5
69.56181	14.4
69.80859	4.6
71.05005	8.3
79.05492	76.3
81.03433	6.1
81.07059	100.0
83.01347	9.9
83.04965	9.4
83.08636	8.6
91.05484	82.0
92.61592	3.5
93.07046	67.4
95.04962	24.4
95.08604	60.6
97.06534	24.3
97.08943	3.9
98.21260	13.8
103.05447	4.5
105.04515	4.8
105.07038	58.9
105.21284	3.8
107.04942	8.9
107.08617	40.7
109.06528	16.6
109.10165	23.9
111.04436	5.2
111.08073	6.6
115.05565	4.1
117.07014	25.3
119.05058	3.8
119.08572	45.4
120.56023	3.1
121.06509	9.8
121.10153	26.6
123.08082	7.9
123.11671	12.0
125.06009	15.5
128.06206	6.2
129.06999	19.3
131.08574	51.5
133.06459	4.7
133.10146	32.7
135.08061	13.1
135.11713	14.5
137.05963	10.9
137.09561	7.0
137.13339	3.5
139.07590	4.1
141.06985	5.2
143.08560	20.6
143.99586	4.4
145.10133	37.2
147.08063	15.6
147.11682	19.6
149.09651	7.5
149.13251	13.8
151.07549	13.6
153.05467	58.6
155.07033	44.4
155.08432	10.0
157.10150	17.4
159.11636	17.9
161.09631	8.6
161.13269	9.5
163.11243	6.1
165.05499	9.0
167.03413	5.2
167.07056	32.5
167.08321	6.3
169.10109	5.5
171.06490	8.7
171.11693	17.4
173.09613	4.9
173.13289	10.0
175.11148	7.7
179.07013	8.0
181.04965	82.4
181.08640	3.8
183.11771	10.0
185.09685	4.5
185.13229	6.3
187.11165	4.5
189.16379	4.5
191.06992	10.6
191.10809	4.5
193.08630	11.9
195.11969	4.9
195.13849	16.3
197.13246	5.7
199.14908	8.8
201.16451	6.6
211.14833	5.2
213.16457	6.0
215.14296	5.0
217.15714	5.2
219.17415	6.8
231.10196	6.6
231.17313	5.7
233.11714	4.2
233.18968	4.2
237.16489	5.8
245.19107	7.0
255.17497	8.2
263.20239	6.1
273.18491	33.0
275.20142	8.1
291.19431	5.3
329.17365	4.8
335.23767	6.8
353.24863	4.4
369.20212	5.4
371.25891	6.6
381.24231	5.3
389.26831	6.0
391.22623	6.2
399.25137	5.0
409.23645	22.2
427.24619	39.7
445.25308	14.6
445.29739	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	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.1
55.01866	5.7
55.05519	31.5
57.03427	5.1
57.07087	6.5
57.99247	3.0
58.72462	2.7
64.51467	3.2
65.03947	4.5
67.05511	47.4
69.03419	12.8
69.07076	32.4
69.98749	14.0
71.04994	4.8
79.05499	36.8
81.03413	9.9
81.06587	4.9
81.07059	83.8
83.04984	17.0
83.08614	13.0
85.02908	5.6
85.06534	8.9
91.05476	40.9
93.07051	67.9
95.04973	9.6
95.08614	100.0
96.08964	4.8
97.06521	9.7
97.10150	11.1
98.21183	9.3
99.04447	4.1
102.91992	2.8
105.07030	83.5
107.04977	4.7
107.08601	79.8
109.06430	7.1
109.10173	56.6
111.04408	4.8
111.08080	7.4
111.11746	4.1
115.05454	4.5
117.07013	14.2
119.08595	73.4
120.08983	3.7
121.06565	17.0
121.10144	54.2
123.08052	18.7
123.11712	21.7
125.09606	14.3
128.06187	5.9
129.07011	11.6
131.08577	40.6
133.06473	5.0
133.10139	54.1
135.08078	21.1
135.11725	23.0
137.05986	10.8
137.09601	11.6
137.13289	6.8
139.03864	3.7
139.07507	4.4
140.18176	2.9
140.99117	3.8
141.06932	4.2
142.07715	7.2
143.08543	14.0
145.06450	8.5
145.10133	41.4
147.08076	10.8
147.11691	39.6
149.09647	9.3
149.13283	23.7
150.13495	3.0
151.07545	55.9
151.11183	6.1
153.05447	5.7
155.07114	5.4
155.08530	6.6
157.06595	3.3
157.10130	19.7
159.08040	7.1
159.11697	35.8
161.09596	15.6
161.13245	32.2
163.03888	4.1
163.11151	7.6
163.14830	30.6
164.15227	3.3
165.09122	87.6
165.12828	3.5
167.07054	56.6
169.10144	8.4
171.08131	3.9
171.11659	17.0
173.09624	6.4
173.13254	31.5
175.07529	5.2
175.11183	9.8
175.14821	33.5
177.09053	4.8
177.12759	7.4
177.16403	21.1
179.06978	6.2
179.08530	3.2
179.10562	4.3
181.04976	7.8
181.12181	5.5
183.11739	5.6
185.09625	5.1
185.13271	10.6
186.35603	3.1
187.14848	29.1
189.09071	5.4
189.12802	6.2
189.16414	27.6
191.07085	6.9
191.10661	12.1
191.14336	30.6
191.18018	24.9
192.14636	4.7
193.08606	15.4
197.13322	4.2
199.14865	19.0
201.09222	4.1
201.12740	6.4
201.16336	14.8
203.06941	3.4
203.10692	3.4
203.14319	12.6
203.17970	82.6
205.08641	4.8
205.12222	5.2
205.15881	12.9
205.19531	4.3
207.10143	5.8
207.17538	3.5
209.15329	19.4
213.16402	6.2
215.14407	6.4
215.17937	7.1
217.15927	15.2
219.13831	7.4
221.15448	5.2
223.14862	3.8
225.16467	4.7
229.08559	6.7
229.15767	5.3
231.10303	4.0
231.13849	3.5
231.17500	4.4
232.58168	3.8
235.16922	4.5
243.17351	4.9
247.07442	5.3
248.08099	3.8
253.19839	3.7
261.18332	3.8
271.17026	5.2
275.06851	3.9
291.10062	5.8
293.07947	6.8
307.09546	5.5
311.23514	4.7
319.09436	4.4
336.09793	4.0
345.61029	3.2
351.12115	10.3
353.10245	7.2
368.12527	7.4
369.23898	7.1
383.14877	36.1
384.15179	5.0
389.31522	3.8
407.32950	15.7
425.23227	9.8
425.34305	7.0
443.18295	3.8
443.28067	13.1
443.35342	13.6
448.32004	3.2
451.21283	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03955	1.4
55.05296	0.8
55.05518	9.0
57.07085	3.9
59.05006	1.1
65.03933	1.7
66.21090	0.6
67.05510	13.5
69.03430	1.1
69.07072	13.7
69.07442	0.9
70.57709	2.4
71.05001	1.6
71.08642	1.0
79.05501	9.7
81.03433	0.7
81.07062	31.4
83.04994	1.6
83.08619	6.5
85.06561	1.8
91.05474	9.5
93.07050	22.0
95.04983	2.1
95.08612	36.5
97.06524	2.2
97.10175	3.6
98.21257	1.5
99.08092	1.1
105.07037	15.6
107.04963	1.1
107.08601	29.7
109.06509	2.0
109.10161	26.3
111.08120	2.6
111.11732	1.8
117.07066	1.8
119.08586	20.7
121.06491	1.5
121.10149	21.4
123.08092	3.1
123.11716	13.3
125.06055	0.8
125.09658	1.0
127.11210	1.0
129.07025	1.8
131.08597	4.5
133.10135	19.7
135.08084	2.7
135.11702	22.7
137.09618	2.2
137.13286	5.3
139.11237	1.3
143.08539	1.3
145.06511	0.8
145.10153	7.0
147.11711	12.2
149.09680	1.6
149.13260	10.6
151.07539	6.6
151.11189	1.9
151.14934	1.1
152.07903	0.8
153.05516	1.3
153.12798	1.4
155.08615	0.8
157.10211	2.4
159.08057	1.0
159.11685	6.4
161.09717	1.6
161.13264	9.6
163.07594	1.2
163.11243	0.9
163.14828	7.4
165.09137	10.2
165.12769	1.0
165.16447	0.9
167.07123	3.1
169.08618	23.9
169.10069	1.9
170.20860	1.0
171.11722	1.5
173.13260	5.0
174.03705	0.9
175.11180	1.0
175.14841	5.7
177.12831	1.2
177.16441	4.2
179.14343	1.2
181.05009	0.9
183.11678	1.2
185.13284	1.7
187.14900	3.4
189.09135	1.1
189.16389	10.1
191.18010	7.1
193.15897	1.0
195.06549	1.4
199.14883	1.9
201.16432	3.2
203.14343	1.3
203.17957	8.9
205.08670	0.9
205.19608	1.9
207.17445	7.5
215.17964	3.9
217.19473	6.1
221.19096	2.7
229.19583	2.6
231.21048	0.9
233.19138	1.0
243.21167	0.9
245.22649	1.0
255.21368	0.8
259.13440	1.0
275.20120	1.0
283.17026	1.2
285.25745	1.2
289.25433	1.2
325.28918	0.9
377.24271	0.9
387.32578	1.3
407.37109	1.2
425.33182	1.4
425.38791	3.7
443.39014	100.0
444.39413	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	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80907	0.8
52.79963	1.1
55.05510	5.0
57.07081	4.4
59.06123	0.9
59.37316	0.8
67.05511	8.2
69.07082	5.4
70.07397	0.8
70.82405	2.0
79.05490	3.8
81.07064	14.2
83.08631	4.8
85.06535	1.3
86.57044	0.8
87.04480	1.5
91.05472	3.2
93.07049	8.3
95.04987	1.5
95.08615	21.4
97.10159	2.0
103.83974	0.8
105.07048	7.2
107.08607	15.9
109.06509	1.2
109.09460	1.3
109.10161	19.9
111.08063	1.1
117.06983	1.4
119.08612	9.2
121.10137	8.8
123.08043	1.1
123.11704	6.8
131.08589	2.2
133.10141	7.3
135.11720	6.7
137.06017	1.6
137.09618	1.1
137.13223	5.1
145.10088	2.9
147.11691	4.3
149.09573	1.1
149.13266	6.5
151.07516	2.7
151.11183	1.0
151.14803	1.0
159.11713	3.4
161.13260	7.5
163.03668	29.0
163.14848	6.2
165.09135	1.4
165.12720	1.3
167.03378	3.9
167.07059	2.5
167.10750	1.5
173.13274	3.9
175.14842	2.6
177.16393	3.1
179.07098	1.5
179.14346	4.2
181.12250	1.3
187.14798	3.3
189.09016	1.1
189.16402	2.4
191.07095	0.9
191.14328	1.1
191.17926	6.7
195.13707	1.1
201.16394	1.6
203.17917	3.0
205.08618	1.4
205.19510	1.9
215.17915	2.0
217.19455	3.1
219.21153	1.3
223.16975	2.2
229.19490	2.9
231.21091	1.7
235.20511	2.2
237.18558	1.1
243.20972	2.0
247.20605	1.9
263.20166	1.3
265.21640	2.7
303.26630	14.0
407.33075	3.9
413.37958	1.2
415.35623	2.6
425.33783	4.7
443.18445	3.8
443.31256	100.0
444.31897	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	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03953	0.9
55.05504	5.0
57.07062	1.9
65.03930	0.7
67.05499	10.6
69.03427	1.0
69.07066	10.5
69.35435	1.3
69.35848	4.3
71.05005	1.0
71.08639	0.7
71.59226	0.6
76.96910	0.6
79.05492	7.2
81.07059	17.3
83.04980	2.3
83.08644	3.9
85.06561	1.4
91.05492	6.0
93.07047	11.6
95.04972	3.1
95.08605	22.9
97.06554	1.1
97.10167	2.4
98.20892	1.8
98.21470	1.3
105.07033	11.1
107.04953	0.9
107.08597	13.5
109.06528	2.6
109.10160	15.5
109.10909	0.9
111.08062	1.4
114.59731	0.6
117.07059	2.1
119.08584	12.5
121.06523	2.6
121.10146	9.7
122.07270	1.6
123.08060	3.2
123.11719	5.3
125.06020	0.7
125.09614	0.7
129.06999	1.0
131.08557	4.6
132.08998	0.6
133.10143	7.1
135.08026	3.5
135.11684	9.3
135.12582	1.0
137.09621	7.5
137.13234	2.2
139.07576	1.2
139.11226	0.8
141.07043	0.6
142.07826	0.8
143.08588	2.0
145.06485	1.3
145.10138	3.9
147.08043	2.5
147.11665	5.9
149.09634	6.9
149.13226	4.0
151.07541	6.6
151.14771	1.0
153.09055	0.7
155.07118	1.0
155.08569	1.1
156.09442	0.8
157.10161	1.8
159.08072	1.4
159.11711	3.7
161.09593	5.3
161.13277	3.1
163.11195	3.0
163.14882	1.0
165.09116	69.1
166.09435	0.9
167.07030	3.5
169.08618	7.6
169.10046	1.0
171.11734	2.2
173.09630	2.1
173.13269	3.7
174.10413	0.7
175.07602	1.1
175.11226	3.5
175.14835	3.8
177.09138	4.9
177.12799	1.0
177.16370	3.0
183.11700	1.6
185.13318	1.5
187.11198	2.1
187.14838	2.2
189.09135	2.3
189.12819	2.2
189.16382	5.5
190.09897	0.7
191.10696	3.7
191.14407	1.2
193.08713	0.8
197.13329	1.2
199.11266	0.7
199.14844	1.6
201.12852	1.4
201.16368	0.9
203.10678	4.5
203.14476	0.7
203.17990	0.8
205.12216	5.5
205.15904	1.7
209.13336	0.6
211.14839	0.8
213.16414	0.8
215.14522	0.6
217.12303	2.1
217.15910	2.7
217.19585	1.0
219.13805	1.4
219.17610	0.7
227.17986	2.2
229.19539	1.1
231.13858	1.6
231.17381	5.4
235.16956	2.4
239.17981	0.7
241.19485	1.0
243.21162	1.2
245.15491	0.7
257.18951	0.9
267.21188	1.0
271.20480	2.9
289.18213	1.3
289.21622	0.7
311.23752	0.7
329.24921	0.8
347.25940	1.1
389.31958	0.9
407.33234	2.0
425.34164	13.1
426.34396	0.8
443.35251	100.0
444.35434	5.4
444.40189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03966	2.0
55.01869	4.4
55.05513	10.3
57.03444	2.3
57.07071	3.4
62.82798	1.8
67.05502	13.4
69.03417	4.1
69.07070	16.3
69.16017	1.5
71.57446	1.7
71.79137	1.6
79.05495	14.0
81.03389	2.2
81.07055	27.5
83.04961	6.3
83.08618	6.6
84.44079	1.8
85.06525	2.9
91.05470	18.4
93.07048	34.8
95.04955	6.0
95.08050	3.2
95.08613	40.7
97.06535	3.8
97.10163	5.2
101.06034	4.7
105.07036	28.6
107.04892	2.9
107.08597	40.5
109.06512	10.5
109.10165	25.0
111.08049	2.1
117.07024	4.6
119.08580	39.1
119.09353	3.7
121.06474	2.3
121.10145	33.9
123.08072	9.5
123.11740	10.4
129.06978	2.2
131.07678	2.0
131.08525	9.8
133.09146	1.4
133.10126	30.4
134.57921	1.7
135.08020	2.5
135.11696	27.0
137.09601	4.7
137.13246	4.6
139.11221	11.1
141.15274	1.9
143.08551	4.8
145.10135	16.0
145.62787	2.1
147.08029	2.0
147.11714	20.0
149.09584	1.9
149.13257	9.4
151.07549	3.8
151.11200	14.0
153.12747	1.8
157.10103	8.7
159.11687	19.2
160.12531	1.9
161.09573	3.7
161.13240	26.5
163.11099	2.2
163.14824	25.8
165.09206	9.7
167.07028	8.4
169.08704	2.8
169.10104	2.6
171.11688	7.6
173.13249	12.6
175.14806	7.7
177.12721	3.2
177.16365	3.2
179.14320	33.1
181.05025	3.4
181.15840	3.4
183.11719	3.5
185.13240	6.9
187.14761	11.4
189.12689	5.2
189.16371	7.5
191.14360	3.6
191.17908	5.5
197.13295	2.6
199.14839	9.6
201.16396	28.2
203.14386	5.1
203.17982	24.7
205.15868	3.5
207.13863	4.9
207.17398	5.2
213.16364	8.1
215.17946	4.8
217.15886	30.6
217.19510	3.6
218.96664	1.7
219.17278	4.2
225.16307	1.7
227.17917	8.6
229.19447	3.4
231.17400	3.3
235.16956	47.4
255.21078	4.8
257.22488	2.3
257.37140	2.1
265.19391	2.1
269.22696	6.8
389.31989	6.3
407.33115	100.0
408.33368	5.5
425.34219	29.6
426.65723	2.1
443.35516	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.21408	2.0
55.05499	9.7
57.07070	5.1
67.05505	24.8
69.07069	23.2
71.17736	3.4
71.18080	3.7
79.05491	9.0
81.07057	35.6
83.04951	2.6
83.08604	9.8
85.06536	6.4
91.05467	6.6
93.07050	22.2
95.08612	95.7
97.10156	5.3
105.07024	9.6
107.08591	33.8
108.89646	2.7
109.06492	2.6
109.10159	100.0
111.11699	7.7
119.08575	13.0
121.10143	39.7
123.08070	17.6
123.11697	21.1
125.09634	18.3
131.08563	3.9
133.10136	14.5
135.07976	2.4
135.11699	31.5
137.09613	3.9
137.13222	9.8
145.10017	5.9
147.11684	8.4
149.09619	3.2
149.13258	31.0
159.11696	4.4
161.13237	8.3
163.14871	12.1
165.09126	5.7
167.07031	2.2
173.13252	2.8
175.14777	5.7
177.12738	4.6
177.16321	5.3
185.13181	2.4
186.32851	2.6
187.14880	2.7
189.12656	3.2
189.16423	2.2
191.14264	3.3
191.17966	11.2
201.16324	2.8
203.14253	10.0
203.17963	8.2
205.19536	61.6
207.13757	6.9
217.19513	5.7
219.13873	3.7
219.21123	9.8
221.15395	20.5
225.14857	4.1
233.15349	4.7
237.14642	2.7
271.24280	3.0
315.23065	3.7
332.83466	2.4
339.88742	2.5
380.28397	2.7
383.33200	4.6
407.32800	3.2
425.34106	50.7
443.35355	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	443.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.9
53.03932	1.3
53.53222	0.5
55.05513	21.1
57.03434	0.9
57.07078	22.4
60.62465	0.6
63.32034	0.5
63.65911	0.6
65.03952	0.6
67.01871	2.1
67.05508	13.3
69.03423	1.7
69.07069	18.9
70.36778	0.7
70.76830	0.8
70.77172	1.3
71.04993	9.8
71.08637	1.0
73.06562	1.0
75.29869	0.7
75.39237	0.6
77.03933	0.7
77.84800	0.5
78.06458	0.5
79.05499	7.9
81.07059	31.3
83.01342	2.2
83.04985	82.2
83.08620	7.9
85.06548	16.6
85.07054	0.8
91.05475	7.9
93.07045	17.1
93.07621	0.9
95.04956	2.0
95.08608	27.6
97.06541	2.8
97.10173	5.5
98.21126	1.1
99.08089	1.2
103.05459	1.1
105.07042	7.5
107.08598	13.6
109.06519	2.3
109.10157	18.5
111.08103	1.9
111.11725	2.4
115.05461	0.9
117.07000	1.6
119.08591	7.4
121.06509	4.2
121.10141	9.1
123.08079	2.4
123.11715	9.8
125.05968	0.9
125.09653	1.8
125.13350	0.6
127.03865	0.9
127.11226	1.0
129.06975	1.3
131.08582	4.3
133.06544	0.9
133.10126	5.2
135.08060	3.4
135.11699	6.4
137.05969	1.1
137.09631	2.1
137.13258	4.6
139.07550	4.7
139.11169	0.8
142.07755	1.5
143.08557	1.4
143.49098	0.5
145.10091	3.6
147.08090	1.4
147.11723	3.2
149.05946	5.1
149.09631	1.5
149.13306	3.9
151.07547	21.9
151.11177	1.1
151.14874	2.7
153.05536	1.8
153.12741	1.9
155.07047	0.9
155.08641	0.7
157.10170	1.5
159.08107	3.4
159.11763	1.9
161.05998	5.5
161.09631	3.2
161.13272	2.1
163.07585	2.0
163.11105	1.0
163.14816	4.1
165.05470	1.0
165.09129	8.7
165.12819	1.0
167.07048	100.0
168.07355	1.5
169.08624	4.6
169.09860	0.7
171.08029	0.8
171.11705	1.4
172.08846	0.6
173.09694	1.9
173.13264	2.0
174.06804	0.9
175.07544	4.8
175.11168	1.7
175.14856	1.8
177.05496	1.3
177.09117	7.4
177.12822	1.2
177.16389	1.7
179.07045	5.3
179.10599	1.0
179.14377	0.7
179.17975	0.9
181.04996	1.5
181.08620	1.6
183.11630	0.7
185.09625	1.5
185.13217	0.7
187.07571	0.7
187.11230	2.3
187.14830	1.2
188.08342	1.2
189.09096	11.3
189.12781	1.2
189.16472	1.8
191.07014	3.5
191.10695	4.1
191.18025	2.6
193.08672	1.7
195.06691	1.0
197.09662	1.1
199.11258	2.0
201.09138	12.0
201.12872	0.7
202.09985	2.0
203.10699	8.9
203.18028	1.5
205.08597	13.6
205.12268	2.0
207.10165	6.8
211.11174	0.7
213.12720	0.8
215.10641	5.8
215.18007	1.1
217.12218	4.5
217.19649	0.8
219.10231	2.7
219.13751	1.0
221.11845	2.7
229.12332	1.9
231.10196	1.4
231.13876	2.2
233.11858	2.2
245.11772	1.2
247.13383	0.7
259.13303	0.7
265.25381	1.5
275.16647	0.8
277.25208	0.6
286.97318	0.6
341.24869	2.6
343.22711	1.1
343.26572	1.3
351.23642	0.8
357.24097	2.9
359.25745	6.2
369.24316	3.5
373.27472	1.7
383.29367	0.7
387.25314	19.5
401.30563	0.9
425.30487	8.4
443.31787	41.8
444.32367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3136
Annotation	Paxisterol
Peak:m/z	Relative Intensity
51.41555	0.8
53.67329	0.8
55.01893	1.0
55.05517	4.5
56.16446	0.7
57.07065	3.6
67.05511	7.1
69.07072	6.8
69.72975	5.4
71.08644	1.1
73.34207	1.0
76.17254	0.8
79.05476	3.4
81.07060	14.5
83.04988	1.2
83.08631	4.1
85.07643	1.0
91.05470	3.8
93.07047	8.3
95.04934	1.0
95.08609	25.0
97.06506	1.6
97.10146	3.3
97.23392	0.9
98.21416	1.5
99.71288	1.0
105.07027	6.2
107.08596	13.4
109.06501	1.1
109.10164	18.4
111.08082	1.0
117.06995	1.0
119.08588	7.0
121.09314	1.2
121.10141	11.6
123.08042	2.1
123.11722	6.9
131.08559	2.2
133.10129	5.7
135.08003	1.1
135.11708	7.7
137.13263	5.6
143.08572	1.0
145.10147	2.4
147.11670	3.4
149.13248	4.9
151.07486	2.0
151.11162	1.2
153.09116	1.1
159.11697	1.6
161.13248	7.2
163.03671	27.4
163.11176	1.1
163.14813	5.7
165.09091	2.0
165.16409	1.0
167.03409	10.6
167.07059	2.4
173.09583	0.9
173.13261	2.8
175.14780	4.2
177.16418	2.9
179.07010	1.1
179.14297	3.6
185.13181	0.8
187.14767	2.0
189.16399	1.8
191.17918	7.3
195.13698	0.9
201.16418	2.1
203.17921	2.5
205.19429	2.0
215.18018	1.8
217.19533	3.7
223.16792	1.3
227.17943	1.1
229.19518	2.4
231.21075	1.0
233.22562	1.0
235.20490	2.6
243.21135	2.1
247.20476	2.1
265.21664	2.6
274.82571	0.8
303.26620	16.2
407.32855	2.3
415.35764	2.9
425.33810	4.3
443.18433	2.4
443.31229	100.0
444.31653	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	443.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
54.51985	0.7
55.05515	12.7
57.07077	16.8
59.46574	0.8
65.03918	0.9
65.35894	0.8
67.05506	14.0
69.07077	8.9
71.04965	1.6
77.60501	0.7
79.05495	7.4
81.03397	0.9
81.07061	20.7
83.01334	1.8
83.04987	42.5
83.08608	4.5
85.06544	8.5
91.05479	5.9
93.06490	0.8
93.07051	13.9
95.04970	1.9
95.08611	19.4
97.10128	2.9
99.04452	1.2
99.08064	0.9
105.07055	7.4
107.04899	0.9
107.08608	9.9
109.09480	0.9
109.10162	14.7
111.11691	0.9
117.06983	1.3
119.08613	5.5
121.06461	2.5
121.09475	0.8
121.10142	10.1
123.04375	1.6
123.11703	7.4
129.06981	1.5
131.08524	3.3
133.06458	1.4
133.10129	3.8
135.08002	1.6
135.11674	5.2
137.13239	1.7
138.46461	0.7
139.07457	2.2
141.05447	7.8
143.08528	1.2
145.10060	3.3
147.07988	0.9
147.11630	3.4
149.05902	2.5
149.09529	2.1
149.13248	3.7
151.07536	7.2
151.11092	0.8
151.14787	0.8
153.05400	1.9
159.08022	3.5
159.11656	3.4
161.05908	3.5
161.09599	0.9
161.13170	2.3
163.14807	1.8
165.05417	1.9
165.09055	2.0
167.03413	62.1
167.07043	48.5
168.03651	0.9
171.08012	0.9
173.09557	2.6
173.13159	1.2
175.07526	2.7
175.11153	1.2
175.14803	1.7
177.05449	1.2
177.09148	3.8
177.12749	1.0
177.16348	1.9
179.03300	1.6
179.06995	2.4
183.06503	1.9
187.07480	3.0
187.11119	2.8
187.14716	1.7
189.09045	3.5
189.16290	2.3
191.07094	6.4
191.10616	1.5
191.17892	2.3
193.08543	1.4
201.09071	6.3
201.12604	0.9
201.16394	1.3
203.07001	2.2
203.10588	2.5
203.17900	1.5
204.07771	1.2
205.08606	20.7
205.12267	1.5
205.19496	0.9
207.10158	3.7
215.10588	2.6
217.12367	1.2
217.19377	1.3
218.09439	7.2
219.10184	8.4
221.11650	1.6
229.12393	0.9
231.10118	4.5
233.11679	1.5
259.13181	1.2
261.21979	2.3
301.18054	0.9
325.26529	1.0
343.22482	2.0
359.25754	1.0
387.20810	1.0
387.25305	9.8
425.25882	4.8
443.19272	6.2
443.31287	100.0
444.31778	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	443.2794
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
53.03944	1.2
54.51713	0.5
55.05516	3.6
57.07082	2.6
63.93010	0.4
65.03940	1.1
67.05172	0.8
67.05509	12.4
69.03426	0.6
69.06746	0.7
69.07069	4.9
70.16161	1.4
79.05501	7.5
81.03381	0.6
81.07060	14.7
83.01355	0.8
83.04982	2.6
83.08614	1.9
85.06538	1.4
87.04485	1.1
89.23792	0.5
91.05490	4.5
93.07049	10.0
95.04966	1.5
95.08612	12.1
97.02882	0.5
97.06548	0.7
97.10164	0.9
98.21165	1.2
99.04482	0.8
105.07037	4.4
107.08603	5.7
109.06526	1.0
109.10174	6.1
111.08046	0.7
111.11735	0.9
117.07043	1.2
119.08596	3.3
121.06479	0.5
121.10150	6.6
123.04454	1.4
123.08039	0.6
123.11713	3.0
131.08559	2.2
133.06503	0.6
133.10178	2.8
135.11720	3.8
137.05988	2.2
137.09660	0.6
137.13269	1.7
141.05467	11.5
145.10118	1.8
147.11736	2.4
149.09689	0.5
149.13249	1.3
150.65814	0.6
151.07458	1.2
153.05441	1.6
159.11705	2.0
161.13292	1.3
162.42426	0.6
163.03687	1.6
163.14842	1.5
165.01843	0.8
165.05473	2.1
165.09108	1.5
167.03410	100.0
167.07040	3.3
168.03793	1.0
173.13280	1.3
175.14795	0.5
177.05478	1.0
177.09172	1.5
177.16443	1.5
179.03337	1.2
179.06999	0.7
181.04955	2.4
183.02831	0.6
183.06551	2.4
185.09613	0.5
187.14764	0.6
191.03410	0.6
191.06973	0.8
191.17982	1.2
193.04922	0.8
195.06555	0.8
198.29951	0.5
201.16360	0.5
203.10699	0.5
205.08603	3.4
207.06619	0.6
209.04491	0.8
219.06482	1.2
219.10240	0.7
243.21167	1.1
261.22171	3.6
285.25732	0.6
303.23221	0.8
303.26474	0.9
340.85226	0.6
399.15982	0.5
425.26825	10.0
443.19104	3.5
443.31149	4.7
443.35736	1.0
444.19940	0.6
456.65585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
53.70162	1.8
55.05509	4.7
67.05494	5.7
69.03428	9.1
69.07064	5.5
69.58482	13.9
71.04982	4.8
73.02934	2.5
74.97858	1.7
79.05477	8.2
81.03397	5.7
81.07063	14.9
83.04967	5.7
83.08627	2.6
85.02904	5.8
85.06520	2.5
90.92175	2.3
91.05470	9.0
93.07050	13.6
95.04956	3.9
95.08606	8.1
96.29607	1.9
97.02894	3.8
97.06530	3.1
99.04468	3.0
105.07024	17.4
107.04930	4.0
107.08605	20.7
109.06503	7.2
109.10154	8.3
112.14908	1.9
117.07009	2.3
118.62406	1.8
119.08554	10.6
119.89783	2.0
121.06492	5.9
121.09476	1.8
121.10175	23.5
123.08045	3.7
125.05972	3.8
127.03898	6.0
127.07539	8.4
131.08527	3.7
133.10135	100.0
135.08078	9.8
135.11612	3.8
137.05983	3.9
137.09618	49.9
145.10100	6.6
147.11697	2.8
149.09607	7.8
149.13226	10.0
151.07538	15.1
153.05482	2.1
157.10110	2.3
161.09570	3.2
161.96127	2.1
163.11134	3.6
163.14798	2.7
165.09154	1.9
167.07013	4.9
167.10725	3.2
170.36819	2.0
173.13211	5.0
173.25035	2.0
181.04820	2.3
189.48396	2.1
191.10687	5.7
191.14316	39.2
209.15309	3.4
249.94945	2.0
269.59595	2.0
301.14777	1.9
311.71371	2.3
315.75247	2.0
383.14984	4.9
452.01511	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	443.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
55.01855	10.3
55.05512	17.3
57.03419	3.1
65.03925	6.8
67.05176	3.5
67.05505	50.7
69.03418	10.7
69.07066	15.4
70.80666	2.9
71.04985	12.5
71.05883	2.7
79.05491	63.5
81.03389	4.1
81.07063	47.3
83.01334	8.6
83.04988	9.1
83.08584	4.2
85.02902	4.4
85.06509	3.7
91.05480	96.1
93.07040	68.0
95.04970	74.2
95.08608	34.3
97.06526	9.0
98.20620	6.6
98.21320	17.9
103.05499	6.1
105.07029	71.3
107.04958	10.7
107.08588	36.8
107.84835	3.0
109.06521	13.3
109.10133	15.5
111.04420	10.4
111.08081	3.4
115.05435	9.8
116.06217	3.8
117.07019	42.9
119.08578	42.7
121.06489	38.5
121.10148	33.5
123.08029	11.1
125.06028	18.5
126.88507	3.3
128.06230	10.5
129.05452	3.9
129.06985	29.1
130.07738	3.6
130.62976	3.1
131.08568	100.0
133.06451	9.2
133.10156	34.7
135.08044	22.6
135.11708	22.9
137.02412	4.4
137.05977	7.5
137.09641	6.7
141.06969	10.0
142.07744	5.8
143.08551	34.8
145.06479	9.6
145.10097	48.4
147.08038	12.1
147.11713	15.1
149.09601	10.4
149.13242	10.5
151.03897	8.0
151.07599	7.8
151.11220	4.0
153.05478	63.5
153.06772	5.7
155.07037	14.0
155.08456	16.8
156.09286	3.3
157.10139	17.8
159.08018	6.2
159.11697	18.7
161.09586	12.7
161.13148	6.1
163.07602	4.4
165.05449	8.5
165.09131	5.2
167.07054	27.0
167.08452	5.9
169.10110	16.7
171.06506	18.7
171.07942	6.1
171.11719	24.5
173.09567	5.4
173.13268	15.0
175.07643	4.1
175.11148	4.8
179.03394	5.1
179.06923	3.5
181.04962	30.7
181.10101	8.1
183.11693	9.6
185.09503	7.3
185.13261	13.7
187.11157	6.2
187.14816	10.4
188.12752	3.5
189.09056	3.2
189.12758	3.3
189.16351	6.7
191.07033	8.5
193.08618	3.8
195.06514	3.6
195.11688	9.4
197.04454	3.9
197.09554	3.4
197.13289	11.5
201.16344	4.4
203.14287	3.2
205.08510	5.2
205.15881	7.2
207.06598	8.8
209.08119	5.2
211.14796	13.2
213.12617	4.5
213.16376	11.7
217.08577	4.2
219.10039	4.9
225.16316	3.7
227.18008	4.4
229.15884	8.2
231.10248	4.8
231.17416	12.7
237.16348	5.5
239.14281	6.5
243.10182	3.8
243.17552	4.0
255.17387	10.3
261.11237	4.3
271.16867	9.1
273.18433	14.5
339.19504	5.1
349.17841	4.8
355.22778	4.6
365.20981	7.6
367.19159	20.1
383.22232	9.5
385.20166	18.2
389.21155	3.8
397.23596	8.6
401.23093	8.4
407.22073	9.8
416.91071	4.4
425.22931	18.1
425.34439	6.4
443.23727	30.4
443.35080	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	443.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20486	2.9
55.01875	3.2
62.68606	3.0
67.05516	4.6
69.03411	3.8
70.89651	5.1
79.01848	3.0
87.65678	2.7
91.05475	4.6
95.04999	3.9
97.02857	2.8
98.16734	2.6
105.07008	3.4
107.04957	3.0
111.04465	3.8
115.76310	3.1
119.08579	3.6
120.95949	3.3
121.06563	3.1
121.72572	2.5
123.04433	100.0
127.03912	3.6
131.08585	3.2
135.08060	39.3
139.03909	73.1
143.03374	3.6
147.04399	7.8
149.26488	2.8
151.03903	9.8
153.01845	44.0
156.09290	4.2
159.08041	4.7
159.11699	6.5
161.05971	4.0
165.05504	6.0
187.11098	16.6
197.09744	3.0
199.11203	4.2
203.10667	3.8
215.10719	12.5
217.12181	3.1
233.11720	21.7
245.11813	16.2
263.12811	9.9
273.07635	5.7
291.08746	8.5
293.58691	3.0
383.15195	3.4
443.13348	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	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.01873	11.6
55.05511	27.1
57.03428	22.2
57.07080	6.5
61.02934	42.9
65.03946	4.2
67.05502	65.5
67.31532	2.5
69.03436	41.0
69.07072	25.0
69.99242	5.0
69.99657	10.9
71.04991	9.2
73.02921	16.9
73.06544	3.5
79.05495	96.2
81.03419	33.9
81.07059	73.3
81.58690	3.1
83.01340	5.4
83.04988	22.2
83.08625	12.8
85.02904	52.4
85.06534	10.2
87.04481	5.6
91.03983	21.8
91.05481	73.5
93.07045	100.0
95.04973	25.1
95.08604	49.5
97.02896	42.0
97.06538	9.6
97.10166	6.9
98.21248	6.9
99.04441	12.6
101.02377	8.6
103.03941	6.7
105.07026	60.1
105.07678	5.2
107.04958	13.8
107.08617	37.7
109.02884	13.2
109.06524	11.0
109.10164	19.9
111.04454	4.6
111.08082	4.6
114.81046	2.9
115.03931	5.7
115.05434	4.1
117.07014	17.5
119.08582	38.7
121.06509	10.5
121.10139	16.9
123.04396	3.3
123.08081	22.7
123.11715	13.4
125.09618	8.4
127.03900	19.8
128.06223	5.5
129.06993	28.1
131.08565	11.8
133.06488	4.3
133.10139	24.5
135.08075	7.1
135.11699	7.5
137.05939	6.6
137.09613	7.4
137.13222	4.1
139.07520	3.7
139.11180	3.5
141.09081	3.3
143.08548	15.7
145.04968	9.8
145.10147	20.3
147.08064	8.1
147.11690	56.0
149.09615	8.9
149.13200	3.6
151.07549	79.3
151.11273	3.4
157.10101	6.9
159.08017	6.1
159.11731	8.5
161.09621	10.5
161.13303	20.4
163.07593	7.3
163.11185	5.2
163.14845	3.3
165.09155	14.7
167.07040	21.3
169.10289	3.4
171.11717	44.1
173.09639	4.9
173.13248	5.3
175.07605	5.1
175.11200	9.0
175.14691	3.4
177.09088	8.4
179.10693	4.3
183.06532	6.7
185.13431	2.9
189.09055	7.3
189.12735	24.2
191.10645	13.6
201.09322	3.6
201.12820	4.2
207.10172	3.7
207.13788	46.0
219.13814	3.4
220.08588	3.7
221.15416	3.3
229.08604	3.7
247.07420	3.7
281.14624	5.9
281.17480	69.9
287.16266	4.0
293.08026	5.3
309.16882	4.5
319.09479	3.5
323.18707	3.4
351.12296	6.4
368.12610	4.3
383.14816	33.7
425.21802	4.6
425.31021	4.4
443.16818	8.8
443.22589	6.5
443.27472	9.7
443.31866	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	443.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01867	6.7
55.05508	3.8
57.03431	3.9
61.02918	3.7
67.05506	6.4
68.99791	2.7
69.03430	18.1
69.07059	1.9
70.87450	3.0
71.01355	1.4
71.04997	4.1
73.02916	5.0
78.04706	3.0
79.05497	8.6
81.03416	16.7
81.07061	9.0
83.04983	3.1
85.02907	35.6
87.00832	12.1
91.05479	8.2
93.07038	9.1
95.04980	4.9
95.08602	5.6
95.72361	1.0
97.02891	22.5
97.06522	1.3
99.04469	6.8
103.03903	1.6
103.05455	3.8
105.01889	8.9
105.07011	9.7
106.04173	1.8
107.04281	2.0
107.04959	27.4
107.08588	4.3
108.02392	1.1
109.02886	11.6
109.06531	3.5
109.10157	4.0
111.08062	1.7
115.03963	2.6
115.05450	6.1
117.01837	1.8
117.07022	3.4
119.08592	4.6
120.05698	1.5
121.06574	2.2
121.10145	3.4
123.04433	8.5
123.08086	4.1
123.11717	2.0
124.05185	2.5
125.06030	1.5
127.03918	20.2
129.01865	1.5
129.07031	3.3
131.04889	8.9
131.08577	4.7
132.05305	4.2
133.06482	1.5
133.10143	3.8
135.08049	8.1
135.11684	1.2
137.05983	1.9
137.09590	2.0
141.07021	2.1
143.04900	2.2
143.08559	2.4
144.05717	2.1
145.04926	7.2
145.06462	3.0
145.10106	2.8
147.03021	1.5
147.04375	1.6
147.08026	4.1
147.11734	2.9
149.06073	1.4
149.09599	1.7
151.07559	20.4
153.01837	4.9
153.05507	1.2
157.06535	1.3
157.10124	1.8
158.07286	1.5
159.02910	8.5
159.08051	7.3
159.11751	1.4
161.05969	1.7
161.13271	1.4
163.06267	1.2
163.07545	23.1
163.25801	1.2
165.09081	1.7
167.07050	100.0
169.10214	1.5
171.11749	2.3
173.06015	1.6
173.09616	1.7
175.07558	9.4
177.09094	2.4
181.04984	2.3
184.05215	1.6
185.13432	1.2
187.07529	9.4
189.03981	1.6
189.09143	3.5
191.10719	3.4
192.07878	2.2
194.07326	1.3
195.10175	35.2
197.09665	1.7
199.07545	4.8
201.09138	4.1
203.06955	2.1
204.07835	2.1
205.08604	6.9
207.06412	1.2
207.10159	14.5
207.13864	1.4
210.06844	1.9
219.10176	5.4
221.11702	4.8
225.09216	1.4
229.08646	2.4
231.04997	1.3
231.10078	1.8
235.09752	1.8
237.11278	4.7
243.10217	2.0
247.09738	1.6
249.11330	1.8
253.08719	1.7
257.11938	2.3
261.11230	2.4
271.09711	1.5
275.12820	2.6
281.17682	2.3
285.11304	2.4
303.12271	5.2
311.09045	1.3
321.13187	2.5
383.14905	6.1
425.26495	1.7
443.16592	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	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15228	0.5
53.03943	0.7
54.03460	2.6
55.04246	2.5
55.05479	0.6
57.03429	1.1
61.93972	0.6
69.03434	4.0
70.02953	0.6
71.04981	0.8
71.56567	0.8
73.06558	0.8
76.76653	0.6
76.99074	0.6
80.05021	1.0
81.03418	1.7
81.04536	19.7
81.41200	0.6
82.05325	9.3
83.04974	1.5
83.87239	0.6
85.02895	4.4
87.04432	0.7
97.02861	3.3
98.21073	0.8
99.04463	0.9
107.01302	0.7
108.05618	1.4
109.02861	1.0
110.07143	0.8
111.04437	1.1
116.98611	0.8
122.07155	100.0
123.07939	96.5
124.08298	1.0
127.03922	2.3
128.03387	3.2
129.03821	1.0
136.07605	0.8
139.03908	2.9
144.04778	1.1
153.01834	8.4
160.04314	1.8
164.08238	0.7
165.07747	3.6
172.04291	1.7
180.35513	0.7
191.03522	0.7
212.06068	0.6
230.20267	0.7
257.04468	0.7
264.77728	0.7
273.88684	0.6
281.10678	62.7
282.11069	1.1
287.05765	0.7
303.01547	1.3
306.79614	0.6
323.11740	1.7
394.99155	0.9
443.16083	77.6
444.16705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.2
55.05509	4.3
57.03443	13.2
59.05003	2.2
61.02915	9.6
66.21545	1.9
67.05499	9.3
69.03440	33.2
69.07065	3.6
70.07395	2.1
71.01359	2.8
71.58265	2.1
73.02924	59.9
79.05491	6.6
81.03410	6.0
81.07063	12.2
81.84764	2.0
83.08615	2.8
85.02912	100.0
91.03950	3.6
91.05492	6.1
93.07045	5.2
95.04980	2.6
95.08607	5.2
96.47546	2.2
97.02897	48.4
97.06584	2.6
99.04485	3.7
105.07023	8.3
107.08591	6.2
108.08913	3.5
109.02880	11.7
109.10136	3.0
110.10609	2.0
115.03929	25.0
117.07050	3.0
119.08558	3.8
121.10141	4.2
123.08108	2.6
126.17127	2.1
127.03930	30.7
129.07039	4.2
131.04887	3.2
131.08533	4.8
133.04964	28.2
133.06505	2.8
133.10161	4.3
135.08023	2.2
135.11736	2.8
143.08505	3.5
145.04979	48.5
145.06482	18.3
146.06851	6.2
150.07684	2.3
151.07567	9.6
152.07922	2.5
157.06500	3.1
157.10097	2.5
159.08055	3.1
160.08286	3.3
163.06036	15.5
165.09084	4.7
167.07059	5.2
169.06590	2.0
169.10126	2.3
170.07388	2.9
171.08017	3.9
172.08446	2.0
173.09573	2.3
185.09416	2.1
195.64957	2.5
196.12029	4.9
223.06049	5.9
228.14616	3.8
237.12750	2.5
241.07066	7.0
256.14078	3.1
259.08084	7.6
269.83676	2.0
273.14847	4.9
274.15213	6.5
350.22055	12.1
364.65894	2.2
368.23022	16.1
383.14948	12.9
386.23947	4.0
406.24634	8.6
442.26590	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	443.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56462	3.0
74.61501	2.7
98.21045	4.2
98.97577	13.1
116.98621	10.8
119.01925	5.9
134.99672	9.0
145.03479	3.9
150.78766	3.1
155.07050	5.5
163.04355	3.4
179.00658	5.1
187.08235	5.4
189.07950	3.6
192.98824	4.9
196.82790	2.8
203.00804	3.7
221.01764	7.5
232.96648	4.8
234.96509	7.9
234.99994	12.7
240.98941	4.1
250.97697	4.0
252.97545	9.4
253.00948	3.3
256.96844	8.7
258.96616	10.8
259.00006	45.0
260.00140	3.5
260.99670	3.7
261.03067	8.4
263.02957	21.3
264.03076	4.7
274.97641	26.1
275.97845	9.4
276.97528	32.7
277.01016	41.0
278.01151	3.4
279.00793	4.8
283.00000	81.1
284.00128	7.5
284.99905	7.6
292.98615	9.2
293.98810	3.4
294.98621	7.4
298.97781	13.5
299.09772	39.2
299.98056	4.4
300.10083	10.3
300.97632	23.2
301.01071	100.0
301.09546	47.5
302.01147	12.4
303.00931	6.8
315.03183	3.6
316.98743	20.8
317.10815	3.6
317.98947	9.5
318.98682	47.4
319.02097	7.4
319.10638	4.6
353.95764	3.7
401.01105	8.2
407.00360	3.5
418.97980	20.5
420.03220	7.6
425.01740	29.1
443.02103	71.7
443.19525	3.8
443.98117	4.1
460.99884	64.6
462.00253	5.4
466.03867	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	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09109	2.5
53.03934	3.1
55.01869	9.6
55.05502	7.5
56.52229	2.3
57.00615	2.2
57.03439	17.3
59.04993	2.2
61.02925	13.6
67.05510	8.0
68.05851	3.3
69.03432	37.6
69.07062	4.7
69.91245	5.5
69.91639	3.7
71.01338	2.7
71.04987	3.1
73.02919	69.1
79.05495	7.1
80.05791	2.5
81.03392	6.9
81.07050	10.2
83.08613	2.5
85.02908	100.0
87.04482	5.4
91.03941	6.6
91.05489	8.1
92.05828	2.6
93.07048	5.9
95.04991	3.3
95.08590	5.0
96.08945	4.1
97.02897	59.6
97.06523	2.0
98.21118	5.6
99.04476	5.1
101.02439	2.2
103.03932	3.3
105.07024	8.5
107.08582	7.8
109.02883	9.4
109.10114	3.8
115.03935	26.3
117.07001	3.0
119.08647	3.4
121.06506	5.0
121.10129	4.1
127.03919	33.7
129.07037	4.0
130.07361	3.4
131.04922	5.2
131.08516	3.1
133.04971	31.0
133.06458	3.4
135.11749	2.7
145.04971	53.1
145.06482	22.4
145.10146	4.0
146.06831	10.1
147.08052	2.6
151.07553	9.5
157.06454	3.2
161.06020	3.4
163.06027	22.3
165.09076	2.8
167.07065	4.7
171.08070	4.7
174.13689	2.6
183.07915	2.7
195.08087	2.7
196.12064	4.8
199.05998	2.6
223.06003	7.3
241.07100	6.9
247.37628	2.3
255.13861	4.6
256.14209	4.4
259.08072	6.4
271.36343	2.3
273.14728	3.2
274.15201	9.1
295.10135	2.8
312.16617	3.4
326.10794	2.5
344.18839	2.2
350.21982	9.4
351.12268	2.2
367.22565	3.8
368.23038	19.1
383.14737	11.5
406.24582	5.4
416.55829	2.2
442.26553	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03944	2.0
55.05516	5.9
57.07074	2.7
67.05511	10.2
69.07071	11.8
70.75988	2.3
79.05494	16.5
81.07059	27.7
82.07422	1.4
83.08614	2.8
91.05479	6.0
93.07047	32.4
95.04958	3.2
95.08607	48.0
97.06541	1.3
97.10166	3.0
98.21281	1.3
105.07032	13.3
107.04968	1.9
107.08590	24.5
109.06508	1.8
109.10161	44.2
111.08135	1.2
111.11714	3.8
119.08562	5.0
121.06483	1.0
121.10147	58.0
123.08065	2.6
123.11715	24.4
131.08583	2.8
133.07619	1.1
133.10158	3.8
135.08058	2.3
135.11703	13.9
137.13269	4.3
139.11185	5.6
145.10175	2.2
147.11696	2.7
149.09622	100.0
149.13245	21.0
151.11159	9.6
159.11705	1.8
161.09636	1.4
161.13289	2.0
163.11168	6.3
163.14839	16.3
167.10719	10.9
173.13257	1.8
175.11043	1.2
175.14851	3.1
177.12772	5.7
177.16417	3.4
182.13040	0.9
185.13396	1.2
187.14876	3.1
189.12817	1.1
189.16399	3.6
191.17955	2.0
201.12642	1.9
201.16479	1.4
203.14296	3.5
203.18033	1.4
205.15894	16.3
205.19485	8.4
207.17574	1.5
217.15837	1.3
219.17551	7.8
219.21068	18.7
231.17534	1.1
405.35355	1.8
423.30777	1.9
423.36246	33.6
441.37476	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05503	12.3
59.05027	3.2
59.41904	3.7
67.05520	20.6
69.07062	24.0
69.23478	12.2
69.23898	30.2
79.05489	22.6
81.06590	4.3
81.07061	68.1
83.08633	10.5
85.06539	8.6
91.05480	15.7
93.07054	38.5
93.26500	3.4
95.08608	100.0
97.10181	6.6
98.20761	6.1
98.21455	11.8
105.07043	34.0
107.08605	70.0
109.10154	55.7
111.11748	5.5
113.09636	4.8
117.07043	4.3
119.08564	49.2
121.10145	68.8
123.11717	23.2
125.09659	4.0
131.08571	13.0
133.10124	35.5
135.08134	3.5
135.11694	44.0
137.13261	7.9
145.10133	21.0
147.11681	28.9
149.13283	29.2
151.11169	3.7
159.11696	25.3
161.13277	25.5
163.07491	4.8
163.14854	26.4
165.09146	22.6
173.13260	15.8
175.14815	34.2
177.16412	13.8
185.13217	3.3
187.14832	17.0
189.16359	19.8
191.14323	6.7
191.17967	56.1
193.15857	4.1
201.16408	21.6
203.17911	26.2
205.15926	4.2
205.19557	17.1
207.17491	9.2
213.16434	4.5
215.17996	20.3
217.19542	11.9
219.17484	9.6
226.42133	3.9
227.17969	4.9
229.19589	5.9
233.19069	20.7
275.56085	4.2
333.47934	3.5
395.36661	6.5
405.35260	8.1
423.31683	5.0
423.36316	54.7
441.37418	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	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02814	1.2
55.05509	3.3
60.91443	1.2
67.05492	3.7
69.07071	7.5
71.06692	2.9
71.07022	1.5
79.05494	6.5
80.87634	1.3
81.07063	37.6
83.08614	3.2
91.05480	3.5
93.07050	23.0
95.08624	15.4
97.30410	1.2
98.21033	2.6
105.07031	3.6
107.08599	14.6
109.10164	13.6
111.11690	1.9
115.18109	1.3
117.94111	1.2
119.08569	5.6
121.10148	100.0
123.11694	5.6
133.10127	1.7
135.11725	7.7
137.13167	2.6
149.13280	21.4
163.14825	2.2
173.13263	2.0
175.14748	1.5
201.16449	1.8
205.19528	90.7
217.23575	1.5
237.25613	1.5
329.03894	1.6
343.66403	1.4
349.02963	1.4
423.36060	6.3
439.84583	1.5
441.37405	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03952	4.3
55.05518	11.6
57.07067	8.2
58.56798	1.9
59.05000	2.9
67.05510	24.2
69.07069	24.2
71.08631	7.6
73.04006	2.0
77.03902	2.3
79.05489	17.8
81.07060	43.5
83.08618	10.2
85.06538	10.0
85.10207	4.0
89.05559	2.4
89.06010	13.4
91.05486	20.4
93.07042	44.1
95.04988	7.9
95.08610	100.0
97.06562	3.3
97.10170	6.5
98.20797	9.2
98.21497	7.0
105.07040	44.1
107.08601	68.3
109.06526	3.0
109.10162	65.4
111.08102	5.8
111.11804	2.3
113.09623	4.1
117.07038	7.9
119.08586	53.7
121.06498	13.3
121.10152	63.3
121.11029	3.6
123.08092	5.9
123.11714	24.5
125.09646	6.6
131.08533	11.5
133.08659	5.2
133.09160	2.9
133.10132	37.7
135.08023	3.8
135.11699	50.9
137.09604	3.1
137.13289	8.3
139.11218	4.8
143.08549	2.1
145.10158	28.8
147.11700	35.0
147.12778	3.1
148.47923	1.9
149.13254	23.8
151.14857	3.8
156.05258	2.0
157.10146	4.5
159.11693	28.5
161.13269	33.4
163.14816	27.5
165.09145	6.4
165.12813	2.6
167.14429	3.0
169.08536	2.5
171.11717	3.3
173.13274	21.4
175.14828	24.8
177.12631	2.5
177.16385	17.6
179.14359	6.6
185.13318	6.8
187.14778	15.8
189.16370	23.2
190.29659	2.0
191.14372	10.3
191.17958	50.5
193.15923	5.1
199.14807	5.0
201.16412	22.1
203.14308	2.3
203.17955	21.1
205.15906	6.3
205.19589	9.5
207.17479	7.5
209.11768	3.6
209.19000	2.7
213.16435	5.4
215.17970	25.8
217.15868	2.2
217.19569	12.6
219.17487	8.0
221.18996	3.1
227.17967	4.6
229.19609	6.8
231.17587	4.3
231.21188	8.2
233.19031	19.3
241.19542	3.0
243.21098	4.7
245.22739	2.9
247.20490	3.8
255.21115	2.6
257.22754	5.4
259.20676	2.9
259.55878	2.3
261.22067	2.6
271.24448	2.4
283.24426	3.5
287.23663	2.5
301.25327	2.7
315.17969	3.3
367.49667	2.2
376.49500	2.0
386.44434	2.1
395.36960	6.4
405.01404	1.9
405.35434	7.1
423.36243	67.5
441.37433	82.7
442.37802	4.1
451.63412	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
53.14252	2.2
55.01866	10.3
55.05513	25.1
57.03429	4.7
57.07061	7.1
65.03940	4.7
67.05511	35.9
69.03414	7.0
69.07065	24.4
71.04984	6.7
71.56632	4.0
79.05497	37.1
80.53402	2.4
81.03410	6.8
81.07063	64.8
83.04993	14.6
83.08626	13.1
83.23269	2.2
85.02900	2.7
85.06535	4.5
90.85131	2.3
91.05485	49.5
93.07056	55.5
95.04963	9.6
95.08614	99.4
97.06531	8.4
97.10145	8.9
97.15211	2.4
99.04405	2.5
105.07035	76.5
107.04951	5.2
107.08604	71.8
107.67106	2.5
109.02872	3.2
109.06523	10.1
109.10158	37.1
111.08080	9.2
112.61652	2.2
115.05476	7.1
117.07032	24.0
119.08588	89.9
121.06499	19.7
121.10151	47.2
123.08074	14.7
123.11705	12.0
125.09628	6.6
127.03864	4.0
129.06987	19.7
130.07788	2.8
131.04916	10.7
131.08580	54.6
133.06482	11.0
133.10150	52.9
135.08075	17.9
135.11685	20.9
137.05992	3.4
137.09610	8.6
141.06989	8.3
142.07751	7.6
143.08554	24.2
144.05711	5.5
144.09326	7.3
145.06497	87.6
145.09027	4.8
145.10129	85.6
147.08031	10.5
147.11710	31.7
149.05908	2.6
149.09608	9.5
149.13271	22.0
151.03865	2.7
151.07559	26.0
151.11186	2.9
153.01811	7.3
153.07025	3.8
155.08623	12.7
156.09352	6.6
157.06523	15.3
157.10114	33.8
158.10948	2.7
159.08084	11.5
159.11699	53.5
161.05992	7.9
161.09579	13.9
161.13239	27.7
163.07579	4.2
163.11174	9.1
163.14851	25.8
165.05490	2.7
165.09109	18.0
167.07048	9.5
167.08530	5.4
169.06470	8.3
169.10117	8.6
170.10899	4.6
171.08081	20.5
171.11650	16.7
173.09698	3.6
173.13260	40.3
175.11205	7.4
175.14835	39.2
176.15240	3.3
177.09081	3.3
177.12746	7.0
177.16414	9.9
179.07008	3.3
179.08522	3.9
180.16296	2.6
181.04741	2.5
181.06441	4.6
181.10146	7.6
183.08022	7.9
183.11690	8.3
184.09047	2.4
185.09657	9.2
185.13226	21.8
187.11266	5.6
187.14841	94.1
189.09105	5.2
189.12779	6.8
189.16406	40.5
189.93906	2.6
191.10658	7.4
191.14334	17.8
195.08081	9.3
195.11717	16.5
197.09657	8.2
197.13243	12.0
199.14822	26.0
201.12675	5.6
201.16409	60.7
203.14317	6.5
203.17975	11.9
205.10126	2.7
205.15894	17.1
209.09557	4.1
209.13223	7.1
209.15376	11.8
211.11220	9.5
211.14819	6.5
213.12717	5.5
213.16342	8.9
215.14195	3.2
215.17891	4.5
217.15930	16.5
219.13805	2.9
221.15334	3.1
223.11162	3.4
223.14642	3.1
225.12798	3.9
225.16377	3.4
227.14313	10.0
227.17905	4.1
229.19586	3.9
231.17421	6.9
235.16994	3.4
237.12715	8.3
239.14319	3.2
239.17938	3.4
241.19424	3.2
243.17450	3.8
255.13869	16.0
255.20985	2.7
257.15576	3.9
265.19482	3.7
269.15491	2.7
273.14886	28.5
281.15274	4.0
299.16345	5.6
311.16504	4.3
325.17941	2.8
331.20462	3.6
339.23209	8.8
349.21606	27.8
367.22690	61.8
385.23651	9.1
387.30505	2.9
405.24313	13.1
405.31528	15.3
423.25067	6.0
423.32791	13.4
441.26208	100.0
441.33524	46.4
442.26651	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3366
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01880	2.4
55.05523	14.2
57.07074	3.2
67.05511	18.9
69.03423	4.6
69.07065	14.7
70.96281	3.3
70.96611	3.4
74.40683	2.3
79.05503	27.8
81.03390	4.0
81.07065	46.7
83.04976	8.8
83.08607	7.2
85.02923	2.5
85.06556	4.4
90.35416	2.2
90.97277	2.3
91.05482	29.8
93.07059	45.7
95.04970	5.4
95.08610	79.5
97.06510	3.7
97.10171	2.7
99.08101	22.2
103.05446	3.2
105.07040	72.7
107.08599	68.9
108.08978	2.8
109.02728	2.3
109.06517	5.7
109.10172	29.3
111.08087	6.2
112.11964	2.3
117.07018	15.7
119.08592	100.0
119.20160	3.1
120.08914	3.0
121.06506	11.1
121.10145	42.9
123.08086	4.2
123.11702	12.4
125.09672	5.0
127.07569	8.8
129.07005	6.8
130.07765	3.7
131.08574	46.6
133.10141	58.5
133.11105	2.0
135.08054	11.0
135.11693	22.1
137.09668	5.6
142.07832	2.6
143.08591	19.3
144.09320	6.6
145.06479	2.5
145.10135	77.5
146.10550	3.3
147.08052	3.7
147.11702	45.1
149.09592	7.0
149.13292	24.7
151.07532	3.8
153.01805	7.9
155.08548	5.2
156.09341	4.5
157.10126	24.8
158.10895	4.3
159.11700	57.0
161.09601	10.2
161.13272	32.5
163.11122	4.1
163.14828	23.1
165.09094	3.6
165.12747	2.3
169.10092	5.0
170.10970	3.8
171.11699	19.8
173.13289	50.3
174.13698	3.2
175.11177	5.2
175.14859	33.9
176.15138	2.6
177.12872	3.4
177.16383	21.3
177.37331	2.3
183.11702	11.0
185.13235	25.5
187.14848	79.4
188.15092	5.1
189.16418	44.4
191.14296	14.2
193.15880	2.8
197.13223	5.0
199.14830	26.0
201.16403	66.5
203.14331	7.8
203.17960	17.1
205.15862	20.1
209.13373	3.7
209.15349	8.1
211.14821	7.0
213.16434	9.4
215.14391	3.6
215.17886	9.5
217.15900	11.3
217.19531	2.5
219.17456	6.6
223.14883	4.2
225.16441	4.0
227.17865	4.5
229.15858	3.1
231.17480	4.5
235.16895	5.9
237.16148	2.7
241.19377	4.8
255.21074	5.7
269.19101	2.9
269.22409	3.1
351.26727	2.8
367.22604	4.6
377.32053	4.3
395.32953	8.9
405.31519	17.3
411.32281	5.2
423.32639	31.1
441.15445	3.4
441.20993	3.9
441.33688	71.5
442.33200	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	441.3002
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.05513	8.4
57.07058	0.9
65.95193	0.8
67.02037	0.7
67.05505	4.0
69.07072	9.1
70.17982	3.5
75.80927	0.7
79.05494	2.4
81.07058	7.4
83.08609	3.3
83.60490	0.9
91.05488	2.3
93.07050	3.7
95.08620	5.4
97.10158	1.1
98.21220	1.9
105.07048	1.5
107.08592	2.9
109.10137	5.8
111.11678	0.8
119.08578	2.4
121.10133	3.4
121.10924	0.7
123.08066	0.9
123.11736	1.8
131.08548	1.0
133.10132	2.1
135.11699	1.3
137.13261	1.7
138.72037	0.7
147.11647	1.5
149.13254	1.4
151.07506	1.4
163.11334	0.8
165.08998	0.8
167.07037	2.7
177.16374	1.1
179.07042	1.1
181.04951	20.3
191.07062	2.6
191.17903	1.0
207.06508	4.4
219.06557	2.4
220.07326	14.7
221.08026	2.2
233.08092	40.1
234.08652	1.9
247.09654	4.2
259.09683	2.6
261.11203	1.3
273.11301	1.0
275.12759	1.3
289.14355	1.3
303.15829	1.7
317.17581	2.8
329.17484	1.3
331.18976	2.8
343.19089	2.6
345.20743	2.6
357.20639	2.7
359.22183	1.7
371.22131	2.5
373.23782	2.9
385.23459	1.5
441.30032	100.0
441.36383	3.6
442.30121	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05501	5.2
67.05508	10.7
69.07079	8.6
69.73860	9.9
71.04984	1.8
79.05486	8.9
81.07059	22.1
83.05000	2.3
83.08599	3.7
91.05478	9.4
93.07043	18.6
95.08611	27.5
95.66032	1.7
97.06504	4.8
98.21230	4.1
105.07028	22.7
107.08589	24.0
109.06506	3.5
109.10179	13.0
111.08031	2.5
111.11682	1.5
117.06996	3.7
119.07796	2.4
119.08581	29.1
121.06490	3.1
121.10149	12.7
123.11713	8.4
125.06004	13.1
131.08559	11.1
133.10136	29.4
135.08037	2.9
135.11690	24.2
137.09618	2.5
137.13193	1.7
143.08557	5.0
145.10106	8.5
147.08028	6.0
147.11671	15.1
149.09586	2.7
149.13263	6.9
151.07544	3.1
151.11127	4.7
157.10146	4.7
159.08026	5.5
159.11699	7.0
161.09654	14.9
161.13243	6.1
163.07498	2.0
163.14818	9.0
165.09125	10.1
171.11659	5.9
173.09622	3.8
173.13254	12.9
175.11217	2.4
175.14783	7.2
177.09148	2.8
177.12817	2.5
177.16321	1.9
183.11639	2.8
185.13231	4.1
187.14796	1.8
189.16368	44.4
191.14328	6.0
193.15833	2.2
197.13261	5.0
199.14787	2.3
201.12720	22.9
201.79568	1.5
202.79713	1.6
203.14240	2.6
203.17964	3.3
205.19533	2.2
207.17444	97.5
213.16324	3.2
215.14313	68.1
217.15918	11.6
219.13811	41.2
229.15926	3.2
233.15358	27.0
269.19040	3.4
301.21606	2.1
405.31378	5.7
423.32571	34.8
441.33575	100.0
442.33862	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	441.3363
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03933	3.4
55.01854	2.3
55.05517	16.7
57.07069	2.6
66.05279	2.1
67.05503	23.1
67.75244	2.2
69.07072	17.4
69.46746	6.7
69.47150	7.7
70.62729	2.4
71.08606	3.0
73.46928	2.5
75.52693	2.0
79.05488	21.7
81.07058	47.5
83.04980	5.4
83.08617	13.4
85.06557	3.0
91.05482	24.2
93.07039	34.9
95.04956	4.7
95.08607	61.2
97.06525	2.6
97.10172	6.4
98.21291	7.6
102.76326	2.4
105.07031	47.4
107.08595	64.3
109.06536	5.1
109.10162	26.5
109.99476	2.3
111.08076	2.9
117.06985	8.8
119.08583	66.9
119.58668	2.3
121.10132	37.0
123.08067	5.1
123.11693	9.3
125.44587	2.4
128.06293	2.4
129.06964	5.3
131.08582	23.5
133.10123	49.4
135.08028	6.8
135.11679	24.9
137.09605	3.5
137.13210	6.2
143.08551	6.5
144.09309	3.7
145.10129	30.9
147.07997	3.9
147.11670	28.4
149.13269	23.0
151.07578	6.5
153.01747	2.8
153.09138	3.4
156.09335	3.6
157.10118	11.4
158.10835	2.5
159.11682	26.8
161.09662	2.7
161.13280	24.9
163.07481	3.0
163.11180	3.4
163.14833	31.1
165.09081	5.0
165.12726	4.4
167.03419	6.2
169.08574	6.3
169.10057	4.1
171.11731	5.6
173.09653	3.3
173.13254	23.2
175.11115	2.4
175.14824	32.8
177.09070	6.2
177.12698	7.4
177.16342	6.9
179.14250	4.5
181.04990	2.9
183.11586	3.4
185.13261	6.3
187.14841	25.3
189.12762	2.3
189.16389	50.1
191.14296	5.0
191.17976	8.1
193.15857	3.1
195.11719	3.2
199.14818	7.3
200.99971	2.3
201.12750	9.6
201.16397	38.0
203.14357	5.3
203.17937	16.4
205.15916	6.2
207.17441	9.4
211.14795	3.6
213.16460	4.7
215.14394	3.6
215.17950	21.5
217.15836	8.3
217.19473	3.7
219.13770	7.4
225.16391	3.9
227.17921	7.9
229.16025	3.8
229.19527	24.9
231.17534	3.1
235.16936	2.7
241.19547	8.4
243.17336	3.1
247.16939	20.1
247.20621	3.9
249.18382	4.1
255.21078	4.9
261.18463	15.9
273.18478	6.5
275.20093	7.9
281.22522	4.9
285.18417	3.3
287.20175	2.5
301.21570	3.3
377.32034	7.0
387.29861	2.6
395.33301	15.8
397.11795	2.7
405.31622	5.9
408.30347	6.7
412.15225	2.4
423.32492	45.3
426.16492	5.9
441.13968	6.3
441.19934	22.7
441.26825	4.6
441.33548	100.0
442.33688	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	441.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98718	5.9
53.03941	7.2
55.05501	9.1
57.03422	10.7
67.05507	9.4
68.90639	7.1
69.03423	26.8
69.07058	15.9
69.51722	42.9
70.03744	9.1
71.04992	11.4
73.02901	12.0
79.05482	24.7
81.03403	19.5
81.07048	16.1
83.04974	15.5
85.02892	20.3
91.05461	26.5
93.07042	100.0
95.08601	17.2
97.02882	27.6
97.10227	6.2
98.20705	7.1
99.04433	28.3
105.07015	21.8
107.08571	34.8
109.02886	7.9
109.06531	7.6
109.61465	7.1
111.08064	8.8
113.02372	47.8
115.03819	7.6
119.08564	17.5
121.10148	87.7
123.08067	12.3
127.03933	10.5
133.04945	6.9
135.16350	6.8
145.04871	7.1
149.09631	34.0
153.01805	10.2
163.03908	6.3
167.10696	11.8
174.33389	8.2
178.05002	45.6
179.05367	37.9
191.07033	9.4
197.11740	10.3
261.14825	12.1
279.15921	9.8
293.13779	13.3
311.14746	7.2
441.21155	32.4
462.18680	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	441.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.31599	1.4
55.01860	5.5
55.05514	14.2
57.03426	2.3
61.44530	1.2
65.44310	1.2
67.05507	17.2
69.03414	2.1
69.07054	6.1
69.93154	7.1
71.04993	1.5
79.05491	15.0
81.03397	1.9
81.07062	15.7
83.04992	1.9
83.08594	5.0
85.06564	2.4
91.05487	11.8
93.07047	12.4
95.04969	2.6
95.08606	15.4
95.30656	1.2
97.06513	2.3
97.10173	4.3
98.20988	3.8
105.07027	13.8
107.04948	3.2
107.08611	11.0
109.06500	2.3
109.10199	7.6
109.10851	1.4
111.08086	2.2
115.05429	3.9
117.06987	6.3
119.08572	6.3
121.06516	12.0
121.10145	4.5
123.08035	2.9
123.11710	3.2
125.09619	3.9
128.06236	2.6
129.07007	12.0
131.04939	9.9
131.08566	11.1
133.06494	4.8
133.10088	2.8
135.08051	5.1
135.11697	2.1
137.05983	1.6
137.09549	3.2
141.07021	4.3
142.07716	1.3
143.08568	11.1
144.05701	5.6
145.06485	77.7
145.10132	2.7
147.08037	5.8
149.09621	3.1
151.03925	1.5
151.07532	16.8
153.06958	1.5
155.08540	7.2
157.06471	11.4
157.10115	6.9
159.08087	8.7
161.05988	5.5
161.09647	1.5
161.13251	1.7
165.07077	1.5
165.09085	6.3
167.07176	2.0
167.08562	3.9
169.06456	8.1
169.10106	4.4
171.08035	16.7
171.11662	1.8
173.09624	3.2
175.11261	1.4
175.14854	1.6
179.08504	1.8
181.06451	2.4
181.10147	2.9
182.07230	1.4
183.08038	8.1
183.11674	2.0
184.08823	1.5
185.09601	7.3
185.13315	2.2
187.14801	1.7
191.10683	3.4
193.10123	2.0
195.08012	6.3
195.11679	11.7
197.09612	5.2
197.13231	5.0
199.11220	2.7
201.16429	1.6
205.10089	2.6
209.09557	2.6
209.13219	3.9
211.11197	5.3
213.12671	3.1
221.13231	1.8
222.10263	1.3
223.11176	4.9
225.12740	4.8
227.14310	8.9
235.11101	2.9
237.12703	11.5
239.14307	2.8
255.13777	13.8
257.15479	3.6
265.15704	2.0
273.14835	33.8
281.15305	4.6
283.16858	3.8
295.17017	2.5
299.16425	3.3
311.16296	6.5
313.18054	2.0
319.08173	3.2
325.18088	2.3
331.20544	2.4
339.22949	6.6
349.21603	30.5
367.22672	59.9
368.23282	2.1
377.24606	3.0
383.48563	1.8
385.23608	7.5
387.23203	4.3
395.25757	2.7
405.24240	12.6
423.25171	4.4
441.26303	100.0
442.26492	2.5
464.83209	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
66.33008	0.5
69.03429	1.4
69.85483	2.9
79.01852	2.2
81.03421	5.5
85.02908	0.8
94.13525	0.5
97.02900	3.4
98.21168	1.7
107.01327	0.8
109.02872	4.5
125.02339	2.7
127.03922	100.0
128.04213	0.7
135.50970	0.6
136.60072	0.7
143.03400	4.3
145.05013	0.6
153.01836	65.3
154.02187	1.0
171.02888	6.6
176.89302	0.6
226.51445	0.6
297.06119	6.0
315.07117	1.8
418.64398	0.6
441.17493	2.9
448.27682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98718	5.9
53.03941	7.2
55.05501	9.1
57.03422	10.7
67.05507	9.4
68.90639	7.1
69.03423	26.8
69.07058	15.9
69.51722	42.9
70.03744	9.1
71.04992	11.4
73.02901	12.0
79.05482	24.7
81.03403	19.5
81.07048	16.1
83.04974	15.5
85.02892	20.3
91.05461	26.5
93.07042	100.0
95.08601	17.2
97.02882	27.6
97.10227	6.2
98.20705	7.1
99.04433	28.3
105.07015	21.8
107.08571	34.8
109.02886	7.9
109.06531	7.6
109.61465	7.1
111.08064	8.8
113.02372	47.8
115.03819	7.6
119.08564	17.5
121.10148	87.7
123.08067	12.3
127.03933	10.5
133.04945	6.9
135.16350	6.8
145.04871	7.1
149.09631	34.0
153.01805	10.2
163.03908	6.3
167.10696	11.8
174.33389	8.2
178.05002	45.6
179.05367	37.9
191.07033	9.4
197.11740	10.3
261.14825	12.1
279.15921	9.8
293.13779	13.3
311.14746	7.2
441.21155	32.4
462.18680	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74743	1.0
55.01856	1.3
56.96286	1.4
56.96566	22.0
57.03424	3.2
59.61388	1.2
61.02925	2.3
61.59975	1.0
68.03837	1.0
69.03431	7.5
70.06582	1.5
71.05020	1.4
71.55120	2.4
71.95261	1.8
73.02914	2.7
74.97594	1.6
79.01861	1.3
81.03436	5.0
84.96040	9.8
85.02908	11.2
97.02888	7.7
98.97585	100.0
99.04437	2.5
99.97887	1.3
101.00906	3.8
102.97029	1.1
104.07115	1.1
109.02906	3.8
110.07159	1.6
110.97565	27.8
112.99146	2.2
113.00874	1.9
113.03458	1.2
114.70574	1.0
116.07088	1.2
116.98626	53.7
119.01900	9.3
120.02039	1.2
121.01672	1.4
123.04453	1.7
124.99128	2.7
127.00683	1.5
127.03931	8.1
127.04874	1.4
127.51369	1.1
128.98611	33.9
129.04027	0.9
131.00163	3.4
131.01895	5.6
132.85342	1.0
133.01659	1.0
133.03459	3.2
134.99657	20.3
139.03879	1.2
140.98599	7.8
141.36620	1.0
143.00175	18.8
143.01927	4.6
145.01714	2.3
145.03481	4.1
145.04956	2.9
146.99649	23.0
149.01195	2.4
149.02998	1.9
152.02393	1.7
152.98602	3.1
153.00685	2.1
153.01817	18.7
153.02974	1.8
155.00131	1.8
155.01926	4.5
157.01697	1.6
157.03479	4.2
158.01222	1.1
158.99658	42.8
161.01231	19.3
161.02917	5.3
162.99190	1.5
163.02773	1.9
165.00703	2.7
169.01733	1.2
170.01451	1.1
170.99670	31.3
171.01233	1.5
171.05046	2.3
173.01192	2.9
173.02936	5.6
174.99269	1.9
175.02733	1.7
175.04564	1.3
177.00717	40.6
179.02269	2.7
182.99637	11.8
183.01244	1.4
184.02721	1.3
185.03035	5.3
186.99181	1.2
187.04442	1.2
189.00723	41.3
189.02371	2.4
189.04214	1.2
189.06047	1.1
191.02242	2.3
191.03828	1.2
193.00192	2.0
194.99687	1.7
195.01753	4.0
197.02922	2.9
199.02682	1.4
199.04468	1.7
200.02385	1.4
201.00697	55.3
201.05887	1.7
203.02162	2.5
203.03998	3.4
204.03850	1.0
205.00113	1.8
205.05588	1.9
207.01709	9.9
211.00977	3.6
213.00638	4.8
215.02232	2.7
215.04089	1.2
217.00279	1.9
217.05618	1.6
219.01758	53.5
219.07076	2.3
221.03218	1.7
221.05118	2.5
223.01129	1.3
224.02274	1.8
229.01915	1.3
231.01472	6.4
233.03355	3.7
234.35146	1.0
235.01128	3.0
237.02812	34.7
241.05399	1.2
242.03290	1.1
243.01762	21.1
245.05057	5.8
247.02634	1.7
247.04880	1.3
249.02724	3.7
251.04422	1.4
253.02043	2.4
255.03960	10.7
255.06303	1.8
257.00742	2.3
259.02484	3.9
261.02805	99.1
262.03125	1.5
267.03500	3.1
273.02750	9.9
275.01810	2.6
275.06110	1.3
277.03452	14.9
278.03708	1.7
279.00439	2.7
279.03857	62.1
279.08731	2.3
279.52722	1.4
291.00717	1.6
291.03790	19.7
291.09174	2.6
297.04834	3.2
302.05444	5.0
303.01132	12.4
303.03796	1.5
304.01624	2.7
305.18402	1.3
307.08893	6.3
309.04855	3.8
313.61768	1.1
321.01263	3.1
321.04877	46.5
321.10382	2.3
321.58987	1.2
323.06531	1.6
323.10263	3.8
333.04819	5.7
339.05356	1.2
351.02411	1.0
351.06006	7.6
355.06317	1.9
361.00174	1.4
376.98105	1.4
379.01260	1.7
381.07034	7.3
394.99405	1.7
399.08313	6.4
403.01462	1.3
418.98886	1.2
433.09689	1.2
434.99557	1.2
441.09293	27.7
441.15158	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01865	6.2
55.05502	9.9
57.03444	16.5
58.61682	2.0
58.84433	2.3
59.04978	2.4
61.02932	14.8
67.05482	5.4
69.03071	3.0
69.03428	42.2
69.07069	59.5
71.01366	2.7
71.04989	3.6
71.57884	3.9
73.02921	84.7
79.05488	4.0
81.03407	10.2
81.07049	6.7
85.02907	100.0
85.22058	2.1
87.04469	5.5
87.65524	2.3
91.03949	5.4
91.05475	7.9
92.16180	2.2
93.07005	5.3
93.67883	2.1
95.04964	2.3
95.08601	5.6
97.02895	60.6
99.04436	8.3
103.03951	5.5
105.07024	7.4
106.07349	2.5
107.08562	5.5
109.02872	10.6
109.10163	5.0
111.11731	25.6
115.03938	29.9
119.08585	6.5
120.08846	2.2
121.10170	2.7
123.11729	2.5
127.03924	35.6
131.08528	3.0
133.04962	31.2
133.10109	5.5
134.68163	1.9
141.07677	2.3
145.04971	38.5
145.10107	3.1
151.07535	3.0
153.01863	4.4
162.09981	2.6
163.06024	20.2
170.08340	2.2
178.04919	2.9
223.06009	5.3
235.11192	2.2
241.07094	8.2
259.08075	8.4
277.08865	3.1
295.10400	2.6
440.23190	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	441.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
60.44968	0.6
64.74492	0.4
65.85279	0.5
67.05502	0.8
68.99785	2.3
69.03425	0.6
69.14015	0.5
70.06628	0.5
71.04970	0.6
74.56555	0.5
79.01857	5.9
79.68726	0.5
81.03408	1.5
81.07047	0.7
85.02924	1.8
85.78677	0.6
90.96756	0.5
91.05505	0.6
93.07040	0.7
95.08615	0.7
97.02895	3.0
98.20674	0.9
98.21356	2.6
107.01326	1.8
109.02899	1.3
113.02347	1.3
113.03519	3.6
118.77862	0.5
119.04919	0.9
120.08082	0.8
121.10175	0.9
123.04449	2.7
125.02369	3.5
126.09195	0.5
127.03928	6.3
131.05014	0.7
135.04390	2.6
139.03909	0.6
143.03409	8.9
147.04408	2.4
153.01839	100.0
153.02869	4.9
154.02176	1.5
155.04979	0.9
157.06482	0.6
159.04451	0.6
163.03935	3.9
167.03416	7.1
169.06488	0.9
171.02803	0.6
173.05994	3.0
179.03409	28.3
185.04494	0.7
185.05971	1.3
187.04007	0.7
197.05940	1.6
201.05537	3.3
203.07008	1.7
209.04181	0.6
213.05632	1.1
225.05551	2.6
229.04994	4.2
239.06686	1.0
241.04994	1.6
247.06030	0.9
253.04927	1.4
271.06021	31.4
287.05524	5.4
289.07074	2.4
303.04968	2.1
311.07785	0.9
315.05045	2.2
331.04514	7.0
441.13657	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
54.67024	2.3
55.01870	11.7
57.07090	5.2
59.04984	3.7
67.05490	4.2
69.03441	12.0
69.07051	7.2
70.02950	4.7
70.06585	2.7
70.63193	4.1
71.04990	4.5
72.04522	20.7
73.02901	10.0
74.60826	2.3
79.05518	2.3
81.03428	20.3
83.04983	6.4
84.08157	3.1
85.02908	13.0
85.06543	10.1
86.09725	13.0
87.08099	3.8
90.05561	41.7
95.04956	11.6
97.02883	12.7
98.02429	14.9
98.21078	3.8
99.04452	4.9
100.03982	4.9
109.02888	31.4
113.06004	5.2
116.03462	20.7
124.07600	22.1
125.02345	2.2
127.03925	44.2
128.10741	12.6
130.33620	2.3
132.06573	8.6
132.10179	3.2
138.05550	3.9
138.56052	2.3
139.96413	2.7
142.08647	16.2
145.04951	7.5
153.01852	22.4
156.10234	7.3
160.09680	6.9
166.08586	3.3
172.09605	3.1
174.11296	6.5
184.09703	30.6
189.05640	2.5
198.07611	4.5
199.06056	7.7
202.10757	100.0
211.09642	7.9
216.08685	4.8
217.06958	4.6
220.11815	24.9
221.65099	2.2
230.10289	17.9
234.09709	10.6
262.12915	16.1
278.03802	5.0
279.08612	3.8
291.16751	2.7
297.05994	3.4
306.23032	2.6
310.12808	10.6
328.13919	56.5
346.14990	12.4
364.16074	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.3
55.05521	11.3
57.03435	16.3
61.02933	15.6
67.05496	5.4
67.21190	2.7
69.03434	40.2
69.07068	58.9
71.01340	4.4
71.56542	3.5
73.02918	91.2
79.05485	5.7
81.03407	11.7
81.07054	10.5
85.02907	100.0
87.04470	3.4
91.03956	5.3
91.05487	5.1
93.07059	6.8
95.08606	7.8
97.02898	60.4
99.04485	5.8
102.70998	2.4
103.03960	3.5
105.07024	8.8
107.04971	2.8
107.08599	7.3
109.02882	10.9
109.06548	3.3
109.10168	3.7
111.11729	23.5
115.03922	25.6
119.08598	4.1
121.10158	4.4
123.04483	3.9
123.08121	3.0
123.11761	4.5
127.03922	33.1
133.04968	31.8
133.10072	6.2
135.11731	3.4
145.04951	51.6
145.06007	4.5
145.10153	3.9
149.09634	3.1
149.36359	2.6
151.07539	4.7
153.01878	2.9
153.72018	2.6
161.09621	4.5
163.06032	18.8
163.11166	2.5
178.05092	2.7
192.08246	2.5
193.05000	2.4
223.05994	12.5
225.14893	3.1
231.67949	2.4
232.77861	2.6
241.07111	8.6
256.12561	2.7
259.08221	9.7
277.09192	2.9
283.62100	2.5
288.20114	2.7
376.04468	2.6
440.23538	19.8
440.32043	3.2
442.93442	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	440.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.1
55.05502	0.3
61.02896	0.1
62.18587	0.1
64.59429	0.2
69.03426	0.4
70.72222	0.3
73.06573	0.6
81.03409	0.2
83.04988	0.1
85.02896	0.3
85.50188	0.1
94.06555	0.3
97.02943	0.7
97.03475	0.1
104.04993	1.3
105.03397	0.2
109.02892	0.2
112.03976	1.7
121.63190	0.1
122.06021	0.6
127.03899	0.5
132.04465	6.7
145.04994	0.2
153.01848	0.3
160.03964	0.2
178.05003	100.0
179.03703	0.3
179.05333	1.7
289.70953	0.1
360.51642	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	440.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01858	0.1
55.05513	1.9
57.03431	0.3
59.05003	1.6
61.02907	0.4
69.03066	0.2
69.03430	2.9
69.34498	0.5
69.34926	0.7
71.04991	0.4
76.67348	0.1
77.63612	0.1
81.02976	0.2
81.03419	2.9
83.04985	4.4
85.02908	3.2
97.02897	3.8
98.20835	0.4
98.21513	0.3
99.04441	0.6
101.06014	0.6
104.04981	0.8
108.53458	0.1
109.02895	2.3
122.06008	0.5
127.03912	2.6
132.04451	4.8
141.45222	0.1
145.04965	1.4
160.03941	0.2
162.05956	0.1
167.06993	0.2
178.04997	100.0
179.05327	1.6
187.06012	1.6
224.15300	0.1
227.09120	0.9
245.10272	0.4
273.43585	0.1
340.10306	0.4
345.65714	0.1
369.85724	0.1
422.14246	0.8
440.15491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.05308	0.1
55.05515	1.4
57.03420	0.4
58.23577	0.1
61.02925	0.3
63.76899	0.1
69.03072	0.2
69.03430	3.0
71.04989	0.1
71.09052	0.2
73.02914	0.2
73.06560	4.8
73.06966	0.3
77.03931	0.1
81.03419	1.7
83.04980	1.1
85.02909	3.2
91.03933	0.1
94.06561	0.3
95.04974	0.1
97.02896	2.9
98.21223	0.1
99.04439	0.5
101.06007	0.4
104.04997	0.8
105.03363	0.1
105.87269	0.1
109.02901	1.0
122.06031	0.6
123.28036	0.1
127.03069	0.2
127.03929	2.2
132.04459	5.3
134.47240	0.1
145.04979	1.6
160.03999	0.3
163.06032	0.2
163.72630	0.1
177.04329	0.1
178.04999	100.0
179.05363	1.5
203.87801	0.1
245.10219	0.6
340.10324	0.5
440.15585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47435	4.0
52.32919	3.4
53.03951	5.6
55.01878	11.2
57.07075	5.3
59.05016	4.2
67.05478	7.6
69.03430	12.2
69.07068	12.3
70.02976	8.6
70.68612	10.2
70.68939	3.7
72.04513	19.8
73.02917	11.0
73.06582	4.6
81.03422	31.5
83.04984	8.6
85.02916	15.3
85.06542	11.2
86.09714	16.4
90.05566	42.1
95.04964	14.2
96.08173	3.7
97.02898	18.3
98.02419	19.0
98.21198	7.2
99.04448	8.6
100.04025	5.7
103.03993	5.0
109.02877	42.9
113.06039	6.9
116.03457	19.1
123.04454	10.5
124.03944	3.7
124.06829	3.6
124.07589	24.8
126.05499	28.8
127.03921	100.0
128.00667	4.4
128.10701	10.6
132.06561	11.2
137.05910	3.5
138.05542	6.9
139.03940	5.9
142.08690	18.0
145.04967	11.6
146.01794	5.1
147.04472	4.0
150.05551	4.9
153.01830	72.5
153.02985	6.0
156.10190	4.6
160.09731	15.7
166.08636	4.1
171.02980	5.9
172.09779	4.1
174.11189	4.9
178.10751	30.5
181.04979	5.0
184.09723	38.6
199.06021	5.2
202.10751	92.6
211.09654	8.1
216.08817	6.4
217.07030	4.8
220.11807	25.3
230.10272	10.6
234.09726	9.1
260.09390	4.0
262.12793	19.8
275.11203	5.2
278.03690	6.5
279.08600	8.4
310.12939	11.6
328.13922	57.9
346.14920	7.5
358.58884	3.8
364.15909	27.8
440.03824	3.8
440.19705	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.29071	7.0
55.05505	21.9
57.07058	8.9
57.23208	7.6
63.09369	7.9
67.05508	53.8
69.07049	23.8
71.25323	15.2
75.28574	8.5
76.29744	8.0
79.05476	19.2
81.07063	62.5
83.08611	14.3
83.89692	7.9
89.06023	29.5
91.05486	16.4
93.07037	31.8
95.08608	87.1
97.10204	12.7
98.20972	10.9
105.07041	28.7
107.08609	39.1
109.10163	65.8
109.81544	8.0
119.08576	26.7
121.10145	31.6
123.11702	26.2
124.74032	7.5
133.08629	17.9
133.10123	30.8
135.11696	25.0
137.13252	11.7
145.10144	14.5
147.11696	22.1
149.13286	11.8
159.11647	24.2
161.13239	18.8
173.13222	17.5
175.14854	10.7
177.16270	8.4
181.04967	16.8
185.13142	8.4
187.14822	11.9
189.16454	15.6
201.16382	9.8
203.17967	19.1
220.07245	11.2
233.08014	21.1
239.14734	12.1
239.20578	7.8
240.15221	10.7
245.18837	8.5
255.20956	8.8
421.34671	16.1
439.28101	51.5
439.35965	100.0
440.29120	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19451	1.5
53.44227	1.5
54.45045	1.4
55.01883	1.4
57.03455	1.8
67.05471	1.6
67.26553	1.3
69.03431	4.9
71.31429	3.1
78.63328	1.5
81.03410	7.2
81.07060	2.6
83.08649	1.9
85.02896	5.5
85.06580	1.7
86.35007	1.3
91.05476	8.1
95.86488	1.5
97.02898	6.8
98.20882	1.6
98.99494	1.7
100.11264	3.1
109.02882	5.6
125.02350	3.6
127.03905	10.8
143.03403	5.1
153.01834	100.0
154.02159	1.7
171.02922	11.0
178.05009	17.8
181.17450	1.6
233.30779	1.5
237.39630	1.7
263.95313	1.7
297.06088	9.2
297.09097	2.0
315.07172	15.8
338.05600	1.7
367.36996	1.6
440.32813	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.9
55.05514	11.1
55.48860	1.8
57.07078	3.0
67.05507	9.1
69.07068	13.4
69.43834	3.7
69.44235	14.2
77.81233	1.7
79.05493	9.3
81.07062	23.0
83.08612	7.1
85.17675	1.7
85.50285	1.7
91.05485	7.5
93.07047	22.2
95.08611	54.5
97.10178	5.3
98.21281	6.0
105.07033	21.3
107.08603	38.3
109.10167	32.2
111.11674	1.7
115.05419	2.1
119.08585	44.3
121.10150	30.9
123.11734	14.5
131.08601	5.6
133.10135	35.6
135.11703	19.2
137.13293	7.0
145.10126	5.8
147.11696	31.9
149.13274	15.7
151.07463	2.4
153.09138	3.8
159.11697	6.8
161.13272	17.0
163.14816	10.4
167.10680	4.8
173.13261	4.2
175.14836	11.2
177.16393	10.5
179.10716	3.5
187.14871	3.4
189.16386	48.4
191.17957	69.7
201.16429	11.3
203.17967	100.0
205.19528	18.1
207.17491	3.0
215.18076	3.8
217.19556	13.6
221.19058	5.0
231.17514	3.7
231.21088	4.7
235.16943	6.6
245.22626	5.0
247.16875	4.0
249.18501	16.7
261.18671	2.8
277.43237	1.9
391.71173	1.9
393.35092	8.3
439.15637	4.8
439.35690	28.3
445.18826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.6
57.07095	6.2
62.21617	1.2
62.41469	1.2
67.05508	20.4
69.07069	15.6
69.81138	6.1
71.08624	1.8
79.05499	9.4
81.07063	75.2
82.79903	1.2
83.08618	9.5
90.44705	1.1
91.05484	3.0
93.07061	9.0
93.78632	1.1
95.08614	100.0
97.10168	4.3
98.20837	2.2
98.21378	2.5
105.07047	11.0
107.08598	10.5
109.09454	2.8
109.10166	40.3
111.11751	1.4
119.08591	8.3
121.10152	8.7
123.11717	33.7
129.07019	1.7
131.08589	6.4
133.10115	7.1
135.11708	7.3
137.13261	55.6
143.08528	3.5
145.10130	10.2
147.11690	5.5
149.13246	5.0
151.14845	4.6
157.10153	4.2
159.11765	7.5
161.13264	4.2
163.14821	3.3
171.11746	7.5
173.13293	7.0
175.14822	5.4
177.16400	1.9
179.17969	10.9
185.13242	6.1
187.14838	5.6
189.16368	2.7
191.18021	2.4
193.27118	1.5
195.47311	1.2
199.14806	9.3
201.16434	6.6
203.17944	2.8
213.16411	10.1
215.17923	10.2
217.12189	1.5
227.18002	2.6
241.19566	8.1
243.21097	8.5
245.15355	2.8
255.21164	4.4
257.22757	1.3
259.16946	7.4
269.22632	4.1
287.20023	1.8
289.21716	1.5
301.21793	2.4
315.23135	1.5
337.28629	1.7
393.30261	0.9
393.35123	22.4
439.35748	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.3
55.05508	17.9
55.09050	6.7
56.64407	5.9
62.18255	5.7
67.05505	18.3
69.07057	27.5
71.12291	13.5
79.05500	13.7
81.07068	52.8
83.08621	11.2
89.06041	16.5
91.05477	24.7
93.07045	51.3
95.08606	68.3
98.21109	12.7
105.07034	61.7
107.08586	49.1
109.10160	43.1
118.46162	6.4
119.08598	55.5
121.10149	42.5
121.91724	6.6
123.11710	18.4
129.63063	7.0
131.08578	17.3
133.08641	11.2
133.10117	30.5
135.11702	37.0
137.13179	7.9
145.10132	17.6
147.11742	30.4
149.13237	12.9
157.10172	7.0
159.11649	10.9
161.13292	27.4
163.14836	20.8
171.11691	6.8
174.98244	6.6
175.14806	24.4
177.16376	17.9
187.14818	15.3
189.16423	18.2
191.17856	11.4
193.15871	8.4
201.16431	47.1
203.17949	23.0
215.17914	7.9
217.19513	100.0
239.14940	15.2
240.15294	8.4
249.18527	71.6
392.96054	8.8
439.35696	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	439.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05511	28.5
56.97994	1.6
57.07080	22.9
67.05505	38.4
68.99780	2.5
69.07071	35.3
71.08630	15.9
71.37931	2.3
79.05497	17.2
81.07060	49.5
83.08623	23.1
85.06542	2.9
85.10191	5.9
91.05481	14.7
93.07050	18.8
95.04978	7.9
95.08608	44.0
97.06542	4.6
97.10175	25.8
99.08105	1.8
105.07030	14.3
107.04969	3.0
107.08591	20.8
109.06520	3.0
109.10164	27.3
111.08096	4.4
111.11702	9.9
119.08586	18.1
121.10155	13.7
123.04431	13.4
123.08090	4.3
123.11701	11.8
125.06003	3.1
125.09659	2.3
125.13310	3.2
129.07074	1.8
131.08575	4.0
133.10155	18.2
135.08025	2.0
135.11655	9.4
137.05992	8.2
137.09641	5.2
137.13248	6.9
139.03918	5.1
139.11159	2.2
141.05466	100.0
141.12749	5.6
143.08565	2.4
145.10158	4.7
147.04344	1.8
147.11681	13.2
149.09711	2.4
149.13289	6.3
150.43674	1.9
151.07602	4.3
151.11209	2.7
151.14690	1.7
153.05467	43.0
155.14326	6.1
157.10182	1.9
159.11699	4.0
161.13275	10.1
163.14865	5.0
165.09222	3.4
165.12831	5.3
167.03409	66.1
169.04984	2.0
171.11732	1.8
173.11865	2.5
173.13329	4.0
175.14859	4.5
177.05498	5.9
177.09122	1.6
177.16425	2.8
179.07095	10.0
179.08337	1.7
179.14334	4.2
179.17995	3.5
181.10570	1.9
185.13268	2.1
189.16360	5.0
191.17911	3.2
193.15945	3.2
195.06660	4.0
201.16484	2.5
203.17955	5.9
207.10172	3.6
207.17543	2.1
213.16356	2.1
219.20976	2.2
245.22693	13.2
253.25221	1.9
263.23709	10.2
277.94516	1.9
279.15958	4.2
281.24695	3.0
299.25974	2.7
319.22595	2.2
385.27402	3.6
403.28027	13.1
421.34473	5.2
439.35587	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	439.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55761	1.9
53.03935	3.1
55.01860	2.7
55.05521	15.5
57.07084	19.2
65.03934	4.6
67.05173	3.0
67.05505	50.9
69.07067	33.7
69.46097	18.9
71.04992	6.8
71.08620	7.9
79.05501	13.5
79.20642	2.3
81.07056	50.4
83.04972	3.1
83.08634	21.1
85.06538	8.2
85.10178	2.5
87.90562	1.9
88.03095	2.8
91.05490	10.7
93.07038	16.1
95.04966	14.0
95.08047	3.8
95.08617	47.2
97.06536	5.2
97.10184	12.6
98.20908	6.6
99.04459	7.9
99.08097	3.0
105.07017	17.2
107.04952	4.1
107.08591	22.5
109.06529	5.7
109.10161	29.6
111.11691	4.7
113.05990	6.9
113.09650	3.5
117.06986	4.2
119.08579	20.8
121.06530	3.1
121.10147	19.5
123.04431	58.2
123.08041	5.4
123.11715	15.3
125.05997	22.8
127.07553	2.3
127.11219	2.7
131.08543	7.0
133.10133	14.2
135.07979	2.7
135.11703	13.2
137.05975	6.9
137.09610	4.2
137.13252	10.6
139.07532	18.5
139.11186	2.6
141.05472	100.0
141.12801	3.0
142.56749	2.3
145.10110	7.8
147.11665	11.3
149.09613	6.5
149.13274	7.6
151.07553	4.2
151.11183	4.5
151.14807	2.8
153.05467	13.9
155.14258	2.8
157.10129	2.8
159.11732	6.6
161.09557	3.1
161.13261	9.3
163.11267	2.6
163.14806	6.6
165.07831	2.9
165.09094	15.2
165.12830	4.3
165.16443	3.0
167.03427	24.4
171.11700	4.0
173.13272	5.6
175.11047	2.3
175.14793	3.5
177.16405	4.2
179.07101	3.3
179.14351	4.5
189.16400	6.3
191.17993	5.4
203.17944	3.3
205.12427	2.9
205.19510	2.4
211.13075	2.9
213.16318	2.8
215.10698	2.9
217.12239	5.3
217.19397	3.1
235.24248	2.9
245.22639	5.9
246.02794	2.6
263.23703	2.7
274.95605	2.2
281.24976	4.0
281.28293	4.0
283.26224	3.5
291.99939	2.1
316.24268	2.3
343.29871	3.0
347.25723	4.3
361.31027	3.9
365.26849	6.0
375.32632	5.5
385.31024	10.5
403.32248	54.4
409.83389	2.1
421.33374	17.6
439.34900	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	439.2846
Annotation	Ochrolifuanine A
Peak:m/z	Relative Intensity
53.03937	0.9
55.05513	5.7
55.25567	0.3
56.94246	0.3
57.07085	0.8
58.21938	0.4
58.34414	0.3
64.73794	0.3
65.03939	1.2
67.05509	23.5
69.07074	3.4
69.87531	0.6
69.87946	1.0
70.79047	0.3
77.98573	0.3
79.05492	5.3
81.07060	17.9
83.08606	0.7
89.06033	0.6
91.05492	1.6
93.07040	3.4
94.47571	0.3
95.04993	0.5
95.08613	13.2
98.20977	0.9
105.07053	1.6
107.08588	1.6
109.10168	5.2
117.07051	0.5
119.08590	0.9
121.06492	0.3
121.10180	1.6
123.11731	2.1
131.08575	0.8
133.10156	1.1
135.11690	0.8
137.13248	0.9
145.10162	0.5
147.11671	0.4
149.13321	0.4
151.07556	0.7
151.14766	0.4
155.07111	0.4
157.56419	0.3
163.14722	0.4
167.07104	2.8
179.03447	0.3
179.07062	0.6
181.04967	21.6
185.13306	0.4
191.07051	2.2
192.07887	0.4
193.04944	0.7
193.08566	0.3
203.17990	0.4
205.08662	0.7
207.06575	3.9
217.08653	0.7
217.19458	0.5
218.05875	0.4
219.06520	2.2
219.10121	0.5
220.07327	14.0
221.08101	1.6
231.06544	0.5
231.10190	0.8
233.08101	41.6
234.08882	1.6
245.08180	1.2
245.11751	0.4
246.09033	0.4
247.09685	5.1
259.09631	3.9
261.11264	1.5
261.83502	0.4
273.11298	1.2
275.12787	1.5
287.12875	0.6
289.14288	2.1
303.15918	2.6
315.16025	0.4
317.17487	3.9
329.17557	1.8
331.19034	4.3
343.19086	3.2
345.20670	3.9
355.18951	1.6
357.20602	3.1
359.22180	2.2
369.20602	3.5
371.22189	2.9
373.23843	0.9
383.22171	5.0
385.23730	0.7
392.95612	0.3
397.23615	2.8
439.28458	100.0
440.28659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3055
Annotation	Malonganenone D
Peak:m/z	Relative Intensity
53.03939	3.5
55.05518	25.9
57.07087	19.1
67.05509	47.1
69.06718	3.9
69.07069	47.9
71.04993	4.5
71.08645	17.3
71.57764	3.0
76.51384	2.4
79.05505	16.3
81.07056	55.0
83.01317	3.5
83.04970	4.5
83.08620	32.5
85.06541	3.1
85.10180	4.1
91.05487	16.2
91.61159	2.5
93.07037	21.6
95.04941	7.7
95.08057	2.9
95.08613	43.3
97.06520	5.4
97.10175	26.3
98.21065	3.0
105.07015	15.6
106.11628	2.8
107.04910	2.5
107.08586	21.6
109.06483	3.3
109.10162	27.8
111.08033	4.0
111.11691	9.2
119.08585	18.8
121.10146	12.1
123.04404	10.1
123.08070	3.5
123.11691	12.8
125.05953	4.0
131.08586	4.0
133.10101	13.6
135.11682	7.0
137.05962	6.8
137.09564	5.6
137.13239	5.4
141.05461	100.0
141.12759	2.5
145.10112	6.1
147.11649	12.0
149.13208	5.8
151.07561	3.0
151.11147	4.7
153.05479	28.6
155.14301	5.1
157.10085	3.6
159.11723	3.5
161.13293	9.2
165.12730	4.1
167.03404	73.8
169.04924	3.5
173.11667	2.5
173.13203	2.4
175.14816	8.4
179.07066	5.1
179.14273	3.7
179.17947	4.4
183.11673	3.0
185.13329	3.5
187.14861	2.9
189.16394	8.7
195.06540	2.8
197.13245	2.5
203.18080	2.7
207.10222	4.0
219.13669	4.0
236.37886	2.6
245.22661	8.4
248.24107	2.6
263.23712	9.8
281.24902	3.9
299.25891	3.6
307.57288	2.7
385.27405	5.9
403.27960	15.5
439.13635	8.3
439.26926	2.8
439.32196	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
53.59692	0.7
55.01872	1.9
55.05270	0.8
55.05516	13.7
57.03439	5.7
57.07070	1.9
59.05003	4.7
65.03931	3.8
67.05506	100.0
68.05826	0.7
69.03422	2.9
69.07066	6.9
69.49332	3.0
69.49761	3.2
71.04996	5.0
71.25004	0.8
79.05494	13.3
81.03421	33.5
81.07058	27.3
83.04978	7.5
83.08621	17.2
85.02908	16.3
85.06529	3.6
91.04890	1.2
91.05480	19.9
92.00929	0.7
93.07049	16.2
95.04971	15.9
95.08607	12.3
97.02901	1.9
97.06516	2.9
97.10168	2.1
98.21129	3.4
99.08103	2.6
105.07038	13.9
107.04940	2.4
107.08591	8.4
109.06502	2.0
109.10158	65.0
111.04446	1.6
111.08076	7.9
113.06008	1.8
115.05443	1.6
117.07038	2.5
119.08589	19.1
121.06486	1.5
121.10136	7.7
123.08049	1.8
123.11708	1.7
125.05980	1.0
125.09650	0.9
127.11226	0.8
129.07004	4.7
131.08600	7.9
133.06506	1.5
133.10139	8.4
135.11656	2.0
137.09596	4.0
142.07713	2.1
143.08627	0.9
145.10172	4.9
147.08061	2.0
147.10567	1.4
147.11671	9.3
149.09641	3.6
149.13290	1.2
151.07555	1.2
155.10680	5.2
156.09306	0.8
157.10133	7.6
159.11717	3.6
161.13261	2.1
165.12759	2.0
166.47989	0.9
167.06966	1.1
171.11716	0.9
173.11751	16.8
173.13290	3.8
175.11185	8.9
175.14886	3.1
187.14835	7.8
189.16411	2.8
191.14253	1.5
193.12245	35.2
198.96104	0.9
199.14880	2.0
201.16452	3.2
205.15857	1.2
211.13290	38.2
215.17935	1.5
229.14438	2.4
249.14995	1.2
267.16122	1.9
282.14969	0.8
393.31506	2.9
421.25818	1.3
421.31082	1.2
439.26926	63.1
439.32059	3.4
440.26797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Tritoniopsin B
Peak:m/z	Relative Intensity
53.03934	2.7
55.01886	1.6
55.05255	1.1
55.05514	14.3
57.03440	5.8
58.56330	0.8
59.05009	4.5
65.03934	3.5
65.50576	0.9
67.05508	100.0
69.03424	3.4
69.07064	6.3
70.09879	1.5
70.10259	1.4
71.05009	6.1
79.05495	15.9
81.03424	32.3
81.07062	30.1
83.04989	7.8
83.08632	15.5
85.02919	18.1
85.06526	3.5
91.05488	25.6
93.07045	14.9
94.90639	0.9
94.98003	0.9
95.00373	0.9
95.04978	14.8
95.08047	1.2
95.08615	14.5
97.02885	2.2
97.06533	3.2
97.10171	2.5
98.21243	1.9
99.08128	1.5
105.07036	13.1
107.04959	2.9
107.08587	9.5
109.06523	2.9
109.10163	70.7
111.04492	1.0
111.08086	9.3
117.07021	1.1
119.08576	17.9
121.06532	1.1
121.10144	6.4
123.08038	2.0
123.11696	1.5
125.09633	2.0
129.07005	6.0
131.08598	6.4
133.06519	1.6
133.10138	7.4
135.11720	4.3
137.09648	4.9
142.07829	2.0
143.08557	1.2
145.10132	2.3
147.11688	10.4
149.09613	3.0
149.13277	1.9
151.11273	1.4
155.10680	3.8
156.09258	1.4
157.10117	8.1
161.09575	0.9
161.13234	1.4
163.14839	1.3
165.12782	2.1
171.11766	1.7
173.11742	19.7
173.13155	1.0
175.11201	9.1
175.14835	1.9
178.22646	1.2
189.16420	2.6
193.12260	33.8
204.60316	0.9
205.12350	0.9
206.31703	1.0
207.17503	5.3
211.13295	32.6
211.15245	2.1
217.12260	10.7
224.82736	1.0
229.14363	2.8
266.98431	1.0
267.15942	2.3
329.21237	1.7
421.25870	3.7
439.20923	3.9
439.26846	48.9
439.32202	6.4
439.72537	1.0
440.27524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01857	1.1
55.05513	16.7
57.03447	9.0
57.07065	1.8
59.04986	3.7
65.03935	3.2
67.05509	100.0
69.03433	1.9
69.07058	4.3
69.62195	2.6
69.62622	4.1
71.04978	3.5
79.05493	14.7
81.03425	34.6
81.07065	27.5
83.04989	5.8
83.08621	17.3
85.02915	17.4
85.06547	3.3
91.05487	22.3
93.07060	11.5
95.04984	16.2
95.08600	8.3
96.88691	1.1
105.07034	11.9
107.04964	3.3
107.08618	6.3
109.06521	2.4
109.10163	71.4
110.10529	1.3
111.04454	1.4
111.08086	8.5
113.06021	2.0
117.06989	1.3
119.08591	15.3
121.04485	1.0
121.10155	4.3
123.11710	1.2
125.09626	2.3
129.07011	5.5
131.08577	4.8
133.06506	1.2
133.10130	3.6
137.09656	4.6
142.07788	1.6
144.81978	1.3
145.10155	1.6
147.08118	2.3
147.11703	7.5
149.09624	3.1
155.10667	4.7
156.97931	1.2
157.10152	7.2
165.12834	1.3
168.55194	1.2
173.11728	18.8
175.11157	8.0
193.12245	31.6
211.13304	36.3
215.45473	1.1
229.14433	2.0
230.67398	1.0
249.85141	1.1
267.15714	2.5
329.21344	1.7
421.25858	1.6
439.26923	66.3
440.26801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01870	2.5
55.05515	15.0
57.03443	6.5
57.07074	1.3
59.05002	5.2
61.02900	0.8
65.03940	3.6
67.05506	100.0
69.03432	3.8
69.07065	6.0
69.40639	7.0
71.04991	6.1
79.05495	16.7
81.03419	30.9
81.07058	28.8
83.04983	7.4
83.08619	16.5
85.02416	1.5
85.02902	17.2
85.06541	3.8
91.03975	1.0
91.04958	1.6
91.05486	22.5
93.07045	15.0
95.04969	17.7
95.08607	13.7
97.02888	2.5
97.06542	3.0
97.10172	2.5
98.21247	3.3
99.04435	1.0
99.08125	1.5
105.07034	14.9
105.23740	0.8
107.04979	3.3
107.08598	7.8
109.06506	4.8
109.10156	69.2
111.04429	1.6
111.08076	9.7
113.06015	1.8
115.05410	1.0
117.07008	1.6
119.08580	15.7
121.06495	1.5
121.10137	6.9
123.08068	2.2
123.11700	1.9
125.06010	1.3
125.09665	2.1
127.11232	0.9
129.06998	5.4
131.08545	5.5
133.06523	1.6
133.10138	5.9
135.08044	1.9
135.11690	1.6
137.09625	4.3
137.13223	0.8
142.07790	1.9
145.10144	2.7
147.08040	2.3
147.11681	10.3
149.09636	3.7
149.13171	0.8
151.07521	4.9
151.11209	1.2
155.08611	0.9
155.10678	4.4
157.10112	7.8
159.11671	1.9
161.13307	0.9
163.11061	1.1
165.09131	2.7
165.12741	2.1
167.07045	3.7
173.11740	18.0
175.11179	7.6
189.09158	1.2
189.11142	1.0
189.12799	0.9
193.10933	0.6
193.12248	32.3
211.13287	39.3
229.14290	2.0
267.15952	2.5
270.12521	1.5
285.17014	1.0
313.30795	0.9
375.99127	1.0
410.57843	0.9
421.25931	1.7
439.26965	62.0
440.27551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01871	1.8
55.05517	16.0
57.03440	7.2
57.07067	2.5
59.04996	3.4
65.03927	3.0
67.05508	100.0
69.03421	3.6
69.07068	6.7
71.04995	4.7
79.05496	14.2
80.06458	0.7
81.03423	27.2
81.07063	29.2
83.04984	8.8
83.08624	16.5
85.02908	16.1
85.06534	3.6
89.30997	0.7
91.05483	22.9
93.07050	13.8
95.04967	12.2
95.08614	14.0
95.72199	0.9
97.02901	3.2
97.06523	3.0
97.10166	2.7
98.20644	1.7
98.21336	4.2
99.08103	1.0
100.68756	0.8
105.07040	14.1
106.07385	0.9
107.04951	2.4
107.08600	7.0
109.06509	3.8
109.10162	64.0
110.10501	1.6
111.04440	1.5
111.08081	8.5
113.06002	2.4
115.05508	1.2
119.08591	17.2
121.06548	0.9
121.10134	7.2
123.08066	1.6
123.11705	2.8
125.05998	1.1
125.09672	1.7
129.06993	5.3
131.08588	7.2
133.06532	1.6
133.10132	8.2
135.08118	1.3
135.11719	2.0
137.09648	5.3
137.13168	0.9
142.07799	1.6
145.10143	3.2
147.08067	2.0
147.11684	9.3
149.02336	0.9
149.09648	4.7
149.13263	1.1
151.07574	2.9
151.11174	1.2
155.10654	4.8
157.10139	7.5
159.11667	1.2
161.13321	1.2
165.09154	1.2
165.12741	2.9
173.11748	19.3
173.13167	1.8
174.45349	0.9
175.11195	8.1
177.16400	1.0
185.13400	0.9
187.14799	1.2
189.16386	1.2
191.14354	0.8
193.12257	29.6
201.16397	1.3
203.10574	1.1
211.13298	33.9
229.14430	2.4
267.15897	2.4
320.99863	0.9
421.25555	1.4
439.26941	53.1
440.27426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.3
57.07069	6.1
66.18121	5.6
67.05499	16.3
68.38946	5.8
69.07067	23.9
69.42273	6.1
71.04994	38.3
71.19555	9.7
71.19888	7.5
79.05534	6.7
81.07060	37.2
83.08620	13.0
89.06052	29.0
91.05486	8.2
93.07055	14.3
94.22474	5.7
95.08604	55.6
95.68085	5.3
97.10141	9.2
98.21318	6.2
103.94256	6.7
105.07034	11.8
107.08595	19.3
109.10168	61.1
111.11785	8.5
120.95388	6.3
121.10133	24.9
123.11700	29.1
123.37020	6.4
131.08586	15.2
135.11687	25.2
137.13254	25.0
143.08575	18.4
145.10127	18.9
149.13351	12.1
155.08551	8.0
156.75882	5.4
157.10138	21.2
169.10175	8.9
171.11656	45.0
173.09645	15.1
183.11760	16.0
187.14745	6.5
195.11783	9.1
197.13182	15.9
199.14784	17.9
203.17949	14.0
205.19531	100.0
211.14885	23.6
217.12286	20.7
229.15849	8.2
259.17001	8.3
281.18979	15.9
305.85495	6.4
334.55090	6.2
349.28827	46.4
351.26788	11.4
419.33307	37.8
419.38260	7.4
437.34189	88.7
437.49677	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	438.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12093	1.5
53.54390	1.6
55.48988	1.6
56.25374	1.6
69.03427	7.5
71.08785	3.7
79.01852	2.7
81.03424	8.3
85.02911	9.5
97.02888	6.6
99.04462	1.9
109.02898	8.0
110.89491	1.6
123.04407	2.5
124.07626	1.8
125.02361	4.5
127.03951	8.6
130.08673	3.0
143.03413	3.0
144.04773	5.5
151.24550	1.7
153.01834	100.0
153.02765	3.7
154.02255	1.8
154.04996	4.3
171.02870	12.8
176.09161	2.2
205.80109	1.8
210.60475	1.7
277.03360	2.0
297.06085	5.6
306.10086	2.2
315.07095	15.1
438.17487	2.2
439.02838	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	438.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12171	1.1
58.11246	0.9
69.03427	4.1
73.02964	1.2
77.85902	1.0
79.01854	3.0
81.03419	6.7
85.02907	4.3
97.02898	5.8
98.21118	9.3
99.04433	1.2
107.01328	1.7
109.02876	6.0
125.02362	2.7
127.03931	8.6
143.03429	4.0
153.01836	100.0
154.02194	1.1
171.02902	12.7
297.03290	1.1
297.06161	8.5
315.07083	18.5
355.77252	1.1
377.65488	1.1
439.02869	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	438.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.4
57.45281	8.1
61.02946	9.1
67.05489	11.3
68.05842	7.9
69.03428	11.6
69.07077	11.5
71.31757	13.8
73.02910	9.1
74.24237	6.9
79.05499	21.6
79.58142	7.6
81.03419	20.6
81.07058	34.6
83.08591	8.9
84.04029	7.8
85.02901	11.8
91.05495	28.4
93.07056	18.7
95.04988	9.7
95.08595	25.2
97.02864	8.6
98.20995	7.7
101.02387	7.6
103.05483	26.7
105.07026	30.3
107.04965	22.7
107.08604	18.6
109.02869	10.3
109.10172	15.6
119.04917	21.1
119.08575	13.4
122.03638	8.9
129.07040	16.3
131.04929	35.3
131.08521	9.0
137.01926	7.2
137.05992	93.9
144.19913	7.7
145.10165	8.2
147.04375	17.0
151.07552	44.3
160.64920	7.1
161.05998	58.0
161.09586	16.9
162.06723	13.1
163.07544	30.6
170.08434	44.7
174.06815	9.1
175.07486	9.9
184.86916	8.1
185.07196	9.0
189.09099	75.2
193.10243	9.2
208.11263	13.8
221.05894	9.0
236.73416	7.2
248.65837	7.8
249.11316	46.9
253.08804	7.7
253.12173	12.8
267.09665	10.4
283.06284	14.8
284.06561	11.2
285.10751	12.4
306.73318	7.7
313.14297	29.9
340.16516	9.6
349.24426	8.3
373.16544	23.5
376.91254	7.2
438.23816	100.0
451.19931	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	438.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	18.8
55.05505	27.4
56.31729	13.3
61.02932	20.1
67.05508	100.0
69.03448	15.6
69.07066	26.3
69.41536	47.7
69.41956	69.7
79.05488	26.2
81.03426	46.4
81.07044	64.5
83.08604	18.6
85.02901	29.1
91.05476	51.0
93.07049	56.0
95.05000	23.3
95.08595	44.7
97.02898	26.4
103.05449	17.5
105.07048	64.6
107.04923	20.6
107.08605	23.7
109.06506	20.7
109.10144	58.8
119.08576	34.8
121.10194	18.4
131.04935	42.0
133.10149	26.6
135.08067	24.0
135.11862	14.6
137.05998	82.2
145.10081	27.5
147.04431	21.6
151.07561	30.3
161.05986	78.2
161.09622	41.7
162.06654	18.1
163.07559	35.0
170.08432	38.0
189.09106	90.0
193.12224	15.4
211.13348	22.0
239.69154	17.4
249.11189	62.2
267.09027	48.5
284.06955	15.3
285.10126	70.7
313.14371	27.3
324.11472	35.0
373.16309	39.7
438.23987	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	19.5
56.66830	3.9
57.03433	4.8
57.07082	9.1
59.04999	4.7
67.05505	11.5
69.03432	10.5
69.07072	18.1
70.02969	6.1
71.05000	7.2
71.56662	5.1
72.04522	28.5
73.02920	12.8
73.06546	5.2
74.00672	55.0
81.03424	28.3
81.07068	9.2
83.04984	11.9
84.04493	23.4
85.01110	5.7
85.02912	18.1
85.03998	4.6
85.06556	23.6
86.09718	9.5
90.05560	56.4
95.04968	13.0
96.08141	24.6
97.02888	19.5
98.02399	21.5
99.04471	7.5
100.02200	24.0
100.03995	5.3
103.07616	5.3
107.99409	9.1
108.37634	4.0
109.02880	34.6
113.06010	11.0
116.03448	18.0
118.99882	19.7
120.63275	3.6
124.07581	25.8
124.11215	4.4
127.03933	29.4
130.05017	28.3
131.04536	5.1
132.06520	6.0
137.06026	4.5
139.03947	19.3
140.04230	8.1
142.08691	18.2
145.04967	6.7
145.08618	6.6
147.04550	4.6
148.73651	4.0
156.10263	5.4
160.09668	4.7
163.03893	6.0
164.04367	4.1
166.08543	5.6
172.09770	5.8
174.11290	5.5
177.03296	23.7
177.04637	4.3
184.09743	38.2
188.05595	7.3
195.38306	3.3
198.07527	3.5
199.04330	3.5
199.06012	12.0
202.08853	3.2
202.10756	100.0
203.04828	20.7
206.06734	19.2
211.02072	10.2
211.09630	13.7
217.07043	7.0
220.11804	35.8
224.38658	3.9
230.10258	9.1
231.04361	6.4
234.09761	12.3
259.15131	3.9
262.12906	19.0
291.08322	75.6
309.09351	5.1
310.12723	8.7
328.13892	49.8
346.14926	14.1
363.10507	14.2
364.16022	27.3
401.75854	3.7
414.96451	8.4
438.13431	5.8
438.25198	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	439.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00622	0.5
51.63301	0.6
53.78790	0.6
56.96531	2.0
61.02894	1.0
67.61727	0.6
69.03384	1.9
70.80499	1.4
73.02875	0.6
81.03412	1.0
84.22092	0.6
85.02858	2.4
85.20956	0.6
86.09625	0.7
90.72756	0.6
94.06562	4.0
97.02856	2.2
98.21252	0.9
98.97595	6.1
101.00889	0.9
103.53130	0.6
106.06525	0.6
107.07288	1.3
109.02864	0.8
110.97537	0.9
112.99113	1.0
113.55087	0.6
116.98589	1.8
119.01890	0.8
120.08121	1.3
122.05963	1.5
123.64196	0.6
127.03893	0.8
128.98555	1.5
129.06975	1.7
130.06512	1.4
131.00163	0.9
132.08040	1.8
133.03436	0.7
134.05980	1.4
138.05508	10.7
140.07042	1.6
143.00140	1.1
143.01878	1.4
144.08054	1.4
145.03378	0.7
146.09612	2.7
146.99591	1.0
147.05040	1.1
149.01196	0.9
151.06274	4.3
152.07068	1.4
153.01765	0.9
155.01833	0.8
156.08072	4.5
157.03407	0.9
157.08878	0.7
158.09663	5.3
158.99658	1.0
161.01297	0.6
163.02739	0.8
164.07077	12.0
170.99664	1.1
172.07542	1.5
172.09969	1.0
173.01349	0.9
173.02782	0.7
174.09094	1.7
176.07047	1.7
178.05009	9.0
178.08585	2.2
184.07561	2.4
187.12337	7.1
187.72670	0.7
188.07085	1.1
188.12773	0.7
189.06441	1.3
189.13908	3.2
190.08572	1.6
197.10713	1.3
200.09453	0.8
202.08621	4.7
204.08894	2.0
205.03720	0.9
205.09727	1.8
213.10228	3.4
215.11807	12.8
216.06499	2.0
218.08218	5.5
219.01753	1.7
219.07118	0.7
221.04951	1.1
228.06502	2.7
231.02881	0.8
231.11279	9.9
233.10872	0.7
233.12852	4.3
237.02832	2.5
238.55127	0.7
241.09729	1.2
243.75963	0.6
244.08441	2.1
245.05086	1.1
245.09070	0.8
247.04730	0.8
248.09187	1.6
251.04344	0.7
259.02448	1.1
259.10791	34.7
260.10986	1.0
265.05914	1.3
277.03656	3.9
277.11841	100.0
278.12192	2.7
291.09265	2.1
293.08972	1.0
303.01389	3.6
305.10995	1.5
321.10214	2.0
337.08405	0.7
344.29294	0.7
356.31436	0.6
439.17206	36.3
440.17700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70075	1.8
51.67411	1.9
55.05512	12.2
57.07058	8.4
58.40546	1.9
67.05502	16.4
69.07070	20.7
71.01977	2.1
71.02302	2.7
74.93965	1.9
79.05484	13.0
81.07062	35.5
83.08618	10.3
91.05481	18.3
93.07050	26.9
95.04939	2.1
95.08610	60.4
97.10172	4.0
105.07037	43.3
107.08598	46.6
109.06567	2.6
109.10159	29.5
117.07042	7.0
119.08585	66.9
120.42221	1.8
121.10140	38.4
123.08099	2.8
123.11694	14.2
125.09632	2.4
129.07045	3.8
130.07837	2.3
131.08546	19.2
133.10136	43.3
135.11690	24.7
137.05995	2.8
137.13269	8.4
143.08594	6.7
144.09341	4.0
145.10130	37.4
147.07974	2.1
147.11687	37.8
149.13268	15.7
151.07558	2.9
153.09102	6.5
157.10143	6.3
158.10973	2.6
159.11699	38.0
161.13283	23.8
163.11134	2.2
163.14845	9.0
167.10680	1.9
169.10059	2.5
171.11681	4.4
173.13289	16.1
175.14824	30.3
177.16374	16.8
179.16531	1.9
183.11723	4.1
185.13303	7.5
187.14838	11.6
189.16386	55.3
189.18114	3.1
191.17986	7.8
196.66370	2.0
197.13351	3.6
199.14844	6.4
201.16391	53.2
202.16638	2.0
203.17981	54.4
207.17410	2.1
211.14789	3.2
213.16409	6.4
215.17979	20.4
217.19585	6.0
227.18059	4.6
229.19630	6.4
231.17525	2.2
235.16934	2.6
239.18056	2.6
241.19576	5.6
243.21158	5.7
247.16936	9.3
249.18602	2.0
253.19638	3.2
255.21227	3.1
261.18442	10.0
266.96375	2.0
267.21033	2.3
269.22656	2.3
287.20193	2.4
295.24216	4.8
299.20056	2.6
301.21603	2.2
381.27698	3.4
391.33615	17.5
394.28687	5.2
419.35242	5.0
437.34198	100.0
438.34491	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54241	1.6
53.03936	2.2
55.05507	12.2
57.07078	9.1
58.08423	1.5
65.03930	1.6
67.05505	15.9
68.71930	1.8
69.07072	18.9
69.23817	11.0
69.24245	5.9
79.05496	11.4
81.07062	36.0
83.04978	1.6
83.08614	11.0
84.97406	1.6
91.05473	11.7
92.42065	1.5
93.07049	27.7
95.08609	59.0
97.10192	3.4
98.21124	9.1
105.06389	2.4
105.07033	36.6
106.04243	1.6
107.08595	43.7
109.10161	26.2
115.05483	2.1
117.07011	7.0
119.08584	65.9
121.10146	37.5
123.11721	15.4
129.07007	2.3
131.08574	15.3
133.10135	37.7
133.11075	2.7
135.11700	25.7
137.09633	1.6
137.13261	7.0
139.07599	2.3
143.08588	5.4
144.09293	2.1
145.10124	28.8
147.11678	35.1
147.12782	2.7
149.09500	1.8
149.13251	16.4
151.14835	2.3
153.09145	2.0
155.08556	2.0
157.10129	5.8
158.10902	3.2
159.11696	35.6
160.12477	1.8
161.13240	25.6
163.14844	10.5
169.10152	2.2
171.11723	6.7
173.13246	15.1
175.14830	29.6
177.16374	17.6
183.11732	2.6
185.13214	4.0
187.14861	13.5
189.16394	60.3
190.16792	2.5
191.17966	9.9
197.13246	3.4
199.14824	7.4
201.16399	51.1
202.05426	1.5
203.17966	62.8
207.13602	2.1
207.17493	3.2
211.14946	2.0
213.16342	10.4
215.17981	26.2
217.19576	4.8
221.15373	2.2
225.16443	1.8
227.17999	4.1
229.19571	6.4
231.17491	2.3
235.16925	4.8
239.18001	3.4
241.19524	6.6
243.21075	9.0
247.16968	4.1
253.19611	1.8
255.21115	6.3
259.16907	3.5
261.18506	4.8
267.21225	2.6
269.22659	3.6
273.18646	2.7
287.19977	4.2
299.19839	2.2
301.21765	2.7
313.21799	1.6
334.35489	1.9
335.27277	1.9
381.27924	2.3
391.33514	18.1
392.33981	2.1
394.28885	1.6
413.03378	1.6
419.31821	3.3
437.34189	100.0
438.34473	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05511	17.3
57.07082	16.9
59.44696	1.6
67.05505	30.9
69.03432	1.8
69.06718	2.1
69.07064	27.5
71.08609	4.5
77.03911	2.3
79.05489	26.8
81.07057	70.1
83.01324	2.3
83.08617	14.6
85.06542	3.9
85.10159	2.2
89.06011	5.5
91.05489	23.6
93.06474	2.5
93.07045	44.9
95.04968	3.4
95.08607	100.0
97.10141	7.3
98.21108	13.7
100.27395	1.6
105.07030	46.2
107.08591	72.0
109.06455	3.8
109.09454	3.5
109.10157	45.7
111.11696	1.9
116.23271	1.7
117.07007	9.3
119.07792	3.2
119.08593	50.7
121.09305	3.1
121.10149	51.3
123.08091	4.1
123.11723	22.4
125.09612	3.9
129.06978	3.1
130.07790	2.7
131.08580	18.1
133.10120	37.2
135.11697	44.6
137.05971	2.0
137.09645	3.4
137.13257	30.3
139.07516	2.3
143.08582	12.1
145.10100	28.5
147.08015	2.6
147.11693	35.4
149.09561	2.1
149.13258	31.8
151.14787	4.9
153.09181	2.6
155.08510	3.3
156.09372	2.0
157.10112	13.4
158.10886	2.7
159.11682	26.5
161.13264	23.4
163.11195	2.6
163.14824	6.4
165.09091	1.9
169.10161	4.2
171.11684	17.2
173.13271	16.9
175.14824	23.2
177.09201	2.6
177.16406	26.6
179.17967	2.0
181.04913	5.7
183.11629	6.4
185.13211	13.0
187.11273	2.5
187.14833	18.5
189.16379	30.3
191.10689	2.2
191.18040	9.8
195.11716	3.3
197.13245	5.9
199.14861	12.3
201.16371	35.9
203.17947	51.6
205.12254	1.9
205.19424	2.2
211.14838	4.1
213.16386	17.7
215.14371	2.2
215.17958	21.2
217.19519	8.1
220.07269	4.6
221.15482	2.0
225.16371	4.1
227.17964	5.6
229.19481	4.3
231.17456	2.4
233.08109	11.6
233.15390	3.0
239.17894	5.4
241.19553	19.8
243.21103	4.7
245.15268	3.7
247.16956	3.3
253.19501	6.2
255.20967	7.6
259.16898	9.3
261.18405	4.3
267.21100	4.9
273.18433	3.1
278.71191	1.7
285.18359	4.2
287.20016	7.8
299.20068	4.0
313.21567	4.8
315.23044	2.0
323.05289	1.8
335.27417	2.7
349.28830	2.4
357.20303	2.3
381.27908	2.3
391.33649	17.9
395.22342	2.5
401.34293	2.9
419.34055	3.2
437.26791	33.8
437.34076	78.3
438.34225	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.7
57.07077	13.3
65.03957	4.3
65.04286	1.9
67.05502	26.9
69.07076	17.7
69.87540	11.5
71.05017	4.7
71.08620	3.7
73.06566	2.2
74.01897	1.9
79.05497	9.6
81.07061	52.5
83.04973	5.1
83.08628	7.2
85.06556	3.6
91.05476	9.8
93.07051	20.8
95.04970	6.1
95.08609	74.2
97.02918	3.7
97.06536	3.4
97.10164	6.1
98.21191	6.1
99.04483	2.6
105.07028	26.1
107.04961	3.5
107.08598	28.0
109.10155	39.3
115.05344	2.4
117.07059	5.0
119.08589	39.4
121.10151	24.7
123.04446	31.9
123.11711	19.1
125.06013	12.2
129.07014	3.4
131.08606	12.1
133.10132	20.6
135.11711	15.3
135.96257	2.0
137.05984	2.6
137.13261	14.1
139.07535	12.0
141.05466	28.0
143.08540	7.6
145.10124	31.1
147.11682	18.5
149.13239	11.7
151.11232	2.9
151.14816	8.6
153.09166	2.5
157.10159	8.3
159.11708	15.8
161.13287	10.6
163.07617	2.5
163.11209	3.2
163.14830	12.5
165.09169	4.3
169.10164	4.7
171.11685	13.1
173.13234	16.3
175.14844	27.6
177.09177	2.4
177.16362	10.4
180.85275	2.2
183.11771	4.5
185.13263	6.7
187.14816	7.6
189.16365	17.4
191.10561	2.5
191.17993	11.1
197.13281	5.8
199.14828	6.1
201.16397	20.4
203.17929	14.2
211.14865	3.8
213.16441	8.4
215.17947	11.6
217.12306	2.2
217.19553	4.3
221.15453	2.1
225.16373	4.4
227.18016	4.4
229.19586	7.7
239.18031	9.1
241.19542	18.4
243.21129	6.3
247.16939	6.0
253.19579	7.0
255.21161	4.9
258.02032	2.2
259.17044	3.1
259.20667	3.2
267.21030	4.5
273.18515	3.5
279.26920	2.8
285.18378	10.3
287.19983	5.5
295.24374	5.5
299.20047	4.3
313.21619	5.3
317.24796	6.6
327.23218	2.5
335.27045	2.8
345.24286	5.6
391.33633	21.0
401.30429	18.2
419.31271	19.1
437.34103	100.0
438.34778	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.0
55.30564	1.5
55.55120	1.4
57.07077	7.0
57.07305	1.3
65.03925	1.8
67.05223	1.5
67.05509	19.4
69.03385	1.3
69.07069	22.5
69.61477	10.5
71.08622	1.6
79.05480	9.9
81.07056	42.2
83.08612	8.6
85.02925	1.4
85.06538	2.3
91.05496	10.1
93.07037	20.7
94.56808	1.4
95.04939	2.4
95.08607	70.0
97.10159	5.1
98.20862	3.9
101.46239	1.8
105.07029	23.1
107.08595	33.5
109.06527	1.6
109.10164	28.5
110.25515	1.6
117.07026	5.0
119.08578	41.1
121.10145	22.6
123.04416	4.7
123.08093	1.5
123.11701	16.2
125.05994	2.1
129.06973	2.3
131.08574	14.3
131.22073	1.5
133.10129	25.3
135.08018	1.7
135.11694	14.6
137.09598	1.8
137.13257	8.6
139.07507	3.0
141.05457	1.6
143.08612	7.6
145.10110	30.6
147.11705	18.4
149.13266	15.8
151.14799	7.2
155.08586	3.1
157.10147	8.5
158.10942	1.6
159.11702	18.6
161.13248	14.1
163.07378	1.6
163.14847	12.6
165.09134	2.1
169.10158	5.2
171.11708	11.9
172.12277	2.0
173.11855	2.9
173.13237	16.4
174.51694	1.6
175.14813	22.9
177.16353	8.7
183.11684	4.2
185.13286	5.3
187.14821	7.9
189.16379	20.9
191.17935	11.3
195.11650	1.5
197.13232	2.8
199.14767	8.6
201.16376	24.3
203.10704	2.4
203.17957	21.9
211.14854	1.9
213.16388	6.2
215.17944	12.7
217.19569	6.2
221.15353	3.1
225.16415	4.0
227.17975	4.3
229.15979	1.8
229.19519	4.6
239.17830	7.1
241.19550	17.1
243.21089	8.4
245.15350	2.3
247.16994	5.7
253.19530	9.0
255.20995	7.1
259.16946	4.8
261.18628	2.0
267.21173	5.9
269.22705	2.6
271.17249	1.8
273.18503	3.1
281.22668	3.2
283.24231	1.9
285.18484	12.5
287.20023	5.3
293.37192	1.6
295.24313	3.3
299.20044	6.7
301.21509	3.2
313.21634	4.6
315.23044	2.3
321.25757	2.4
327.23050	2.2
335.27228	5.3
339.23102	2.2
345.24295	3.1
349.28748	3.2
353.24796	1.9
363.25278	1.9
367.26108	2.4
381.28003	1.6
391.33643	21.3
401.34525	2.3
407.33078	1.5
437.34152	100.0
438.34433	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	437.2535
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
51.74297	0.6
52.90166	0.6
53.03947	2.0
55.01873	6.3
55.05511	20.2
56.96555	1.0
57.03439	4.6
57.07074	2.0
59.05005	6.0
65.03937	2.3
67.05504	100.0
68.05840	0.8
69.03426	2.0
69.07059	6.0
71.01378	0.8
71.04994	5.5
71.58257	1.0
79.05495	18.6
80.05815	0.8
81.03407	8.2
81.03840	0.7
81.06573	1.5
81.07056	30.6
83.01342	4.6
83.04980	9.4
83.08625	13.5
85.02916	2.6
85.06541	3.5
87.39832	0.7
91.05482	15.7
93.07043	23.5
95.04977	6.6
95.08604	11.2
97.02896	1.5
97.06530	3.6
97.10178	2.6
99.04438	2.0
99.08092	0.9
103.05488	1.1
105.07027	10.1
106.07406	0.8
107.04971	6.3
107.08596	12.4
109.06515	4.7
109.10155	65.1
111.04451	1.9
111.08055	4.3
115.05439	1.0
117.07037	5.5
119.08585	12.5
120.09904	0.7
121.06519	2.5
121.10146	6.7
123.08056	5.2
123.11732	1.2
125.05995	1.6
125.09635	2.9
129.07001	2.1
130.07799	1.1
131.08556	3.9
133.10112	2.4
135.08075	1.4
135.11703	9.4
137.09592	4.3
143.08543	1.6
145.06610	0.7
145.10121	11.6
147.08075	1.8
147.11707	2.1
149.02301	0.9
149.09627	1.2
149.13268	1.2
153.12750	3.2
155.10669	4.4
157.10106	0.8
159.11606	1.2
163.11195	21.6
164.11583	0.6
173.09576	2.1
173.11749	20.4
173.13112	1.1
175.07634	0.7
181.12260	3.3
189.11263	1.9
191.10629	2.5
193.04996	0.9
193.12225	1.3
204.85989	0.7
209.11736	6.7
227.12737	5.7
228.23308	0.9
233.15399	0.7
237.07445	0.8
285.10162	1.1
324.61484	0.8
345.24261	1.5
419.27850	0.8
437.25250	43.3
438.28467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2535
Annotation	Melissoidesin E
Peak:m/z	Relative Intensity
53.03949	2.1
55.01879	6.1
55.05513	20.2
57.03426	3.8
57.07079	1.2
59.05002	5.3
65.03938	2.7
65.30651	0.9
67.05506	100.0
68.99693	0.8
69.07079	6.5
69.86529	0.8
70.00605	1.8
70.00977	1.5
71.04993	4.6
78.51531	0.7
79.05057	1.3
79.05495	20.4
81.03416	7.4
81.07059	32.1
82.26640	0.8
83.01337	4.0
83.04983	7.6
83.08618	12.4
85.02920	1.6
85.05680	0.9
85.06535	4.0
91.05482	18.8
93.07050	20.6
95.04972	4.8
95.08611	15.3
97.02897	2.0
97.06534	3.5
97.10167	1.5
98.20837	1.3
98.21397	1.6
99.04411	1.1
99.08099	1.0
105.07030	10.5
107.04961	5.3
107.08605	12.6
107.60680	0.8
109.06527	5.9
109.10157	65.6
110.10499	0.9
111.04462	1.8
111.08056	4.1
117.07030	5.7
119.08573	17.1
121.06522	1.8
121.10162	8.4
123.08077	5.1
125.09605	2.1
129.07024	2.0
131.08565	3.9
133.10123	3.2
135.08067	2.4
135.11700	11.2
137.09671	5.2
143.08560	1.0
145.06421	1.1
145.10133	13.3
147.08051	2.0
147.11688	1.7
149.09616	1.5
149.13210	1.0
153.12762	3.8
155.06953	1.1
155.10664	4.9
159.11740	2.6
161.13226	1.0
163.11200	18.5
171.11684	1.4
173.09627	1.7
173.10092	1.7
173.11742	22.9
173.13141	1.0
175.14819	0.9
181.04974	2.0
181.12245	3.3
187.14754	1.1
191.10675	2.7
201.16368	1.6
209.11652	7.4
214.73004	0.8
227.12785	3.7
278.07687	0.9
278.47797	0.8
315.04987	0.9
437.25336	47.5
438.25607	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	437.3262
Annotation	Certonardosterol B3
Peak:m/z	Relative Intensity
51.32337	2.1
51.70031	2.2
53.03932	2.9
53.23751	2.0
55.01871	2.5
55.05524	12.3
57.07080	20.8
63.94908	2.0
65.03924	5.6
67.05508	46.0
69.07061	21.1
69.65511	14.4
71.04986	15.4
71.08620	3.2
73.06561	5.6
77.33334	2.1
79.05496	6.6
81.07050	26.5
83.04987	14.2
83.08608	12.3
85.06535	10.3
91.05460	3.2
93.07046	13.0
95.04971	15.9
95.08617	29.3
97.06532	5.6
97.10159	5.6
99.04464	10.6
105.07014	8.5
107.04948	7.1
107.08577	16.4
109.06470	3.3
109.10168	20.6
111.04448	2.5
111.11742	3.2
113.06025	5.4
118.30532	2.2
119.08591	11.7
121.06506	4.4
121.10158	15.2
123.04433	99.4
123.08057	3.7
123.11702	12.0
125.05991	44.2
125.06852	3.9
131.08499	5.4
133.10144	7.1
135.11684	7.3
137.05917	4.9
137.09601	4.2
137.13237	5.0
139.07550	33.8
141.05467	100.0
145.10098	5.5
147.11684	7.0
149.09618	2.8
149.13231	6.2
151.11163	5.3
159.11696	4.1
163.11182	3.5
163.14792	4.8
165.09134	6.8
167.10643	3.2
168.92842	2.3
175.11215	4.0
175.14897	4.1
177.16339	4.7
179.10696	4.3
189.12817	2.9
191.10625	3.7
191.18002	3.4
191.70175	2.4
191.92023	2.1
193.12280	2.7
207.13734	2.6
207.17201	2.4
242.40855	2.5
279.26831	7.9
281.24713	3.8
303.23267	3.3
317.24634	26.5
327.23383	3.0
331.26257	6.9
335.25720	4.8
345.24216	18.9
359.29236	5.6
383.29343	7.7
391.31885	3.7
401.30478	63.8
419.31519	66.2
420.31784	3.0
437.32547	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	437.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.1
55.05508	11.3
57.06789	5.0
57.07075	100.0
59.05011	5.9
64.59013	2.4
65.52917	2.5
67.05492	15.3
69.07066	19.1
70.23170	9.9
71.05027	2.7
79.05476	8.3
81.07056	31.9
83.08620	8.5
85.06544	69.4
87.04490	5.3
91.05494	7.3
93.07055	13.7
95.04984	3.3
95.08610	41.2
97.06563	5.2
97.10171	8.0
98.20919	5.8
98.21439	2.8
99.08151	3.5
101.02390	7.9
105.07023	16.6
107.08598	20.5
109.06523	7.1
109.10165	23.5
111.08086	10.5
111.11767	3.0
117.04067	2.9
119.08603	12.4
121.10148	14.1
123.08057	6.3
123.11725	17.0
125.09608	4.9
125.17321	2.7
127.11149	4.4
131.08565	6.7
133.10170	8.5
135.11678	8.9
137.09700	3.1
137.13237	14.5
141.12811	3.4
145.10133	9.7
147.11674	13.3
149.09628	6.9
149.13269	8.7
151.11189	4.2
151.14810	3.2
155.14284	2.9
159.11658	6.0
161.13322	7.6
163.14783	4.4
173.13251	2.9
177.16486	3.6
183.13499	3.1
185.13226	3.1
201.16417	3.9
203.17963	8.4
217.19675	4.3
293.28537	3.7
317.28540	7.4
321.27893	31.1
335.29468	15.1
359.29370	18.7
377.30536	27.6
395.31577	66.6
437.33859	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	437.1444
Annotation	Nothofagin
Peak:m/z	Relative Intensity
51.66283	0.5
53.03944	1.7
53.51597	0.5
54.36533	0.5
55.01864	1.1
55.05513	0.8
57.03438	0.6
57.48999	0.5
67.05507	1.0
69.03423	2.3
69.07061	0.8
71.56525	0.7
72.03371	0.5
79.05490	2.3
80.08553	0.5
81.03417	2.5
81.07051	2.2
83.04990	0.9
85.02905	4.7
86.73079	0.5
91.05470	1.5
93.07064	2.9
95.04970	1.8
95.08605	1.1
97.02908	2.5
97.06537	0.8
99.04462	0.6
103.03960	0.7
103.05444	0.6
105.07066	1.6
107.04956	100.0
107.08601	1.4
108.05302	1.1
109.02876	6.1
109.06522	0.8
109.10140	1.3
113.02370	0.6
117.07053	0.8
119.04966	0.6
119.08611	0.8
120.33323	0.5
121.02874	1.0
121.06518	1.7
121.10137	0.6
123.04424	1.8
123.08030	0.7
125.05999	0.6
127.03895	3.5
131.04968	2.5
131.08572	1.1
133.10187	0.7
135.08040	0.8
137.05956	1.0
139.03897	1.8
145.06487	1.0
145.10101	0.8
147.04539	0.8
147.08109	0.6
147.11720	0.8
149.05989	6.5
151.03891	3.2
151.07594	0.6
153.01840	2.2
156.38892	0.7
163.03917	1.2
163.07536	1.2
165.05437	1.0
167.07053	1.2
168.07300	0.6
169.04984	4.2
173.05983	2.5
181.04971	4.5
181.08646	0.7
187.03798	0.7
189.05571	0.7
191.07079	1.2
193.04932	5.0
205.04961	1.2
207.06516	1.7
211.05998	3.1
215.07039	1.1
221.26227	0.6
229.04993	1.0
233.07977	0.6
235.06056	5.6
247.06009	2.4
259.06052	1.4
275.09116	8.1
287.09143	3.6
295.08231	0.7
299.09128	3.4
317.10083	4.7
341.10175	6.7
353.10242	4.9
365.10175	2.2
383.11392	1.6
419.16031	0.7
433.63165	0.5
437.20816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
56.05029	1.0
56.96554	3.5
57.03434	2.6
57.46848	0.8
61.02930	1.6
69.03429	7.4
69.58231	5.6
70.03745	0.9
70.06581	1.1
71.04969	1.1
71.55325	0.7
71.81605	0.9
73.02907	2.3
79.01863	0.9
81.03416	2.4
82.99854	1.1
83.04982	1.6
85.02907	14.3
91.03959	1.3
97.02895	8.8
98.21169	3.1
98.97596	4.9
99.04500	2.0
101.00890	5.0
103.02421	0.9
105.00414	0.8
109.02876	2.6
110.97546	1.4
113.03465	4.4
115.02457	1.1
116.98626	3.5
119.01937	12.7
121.01673	1.2
126.04640	0.8
127.02415	2.0
127.03944	6.1
128.04233	0.9
128.98630	1.4
130.12373	0.9
131.00214	1.1
131.01909	5.1
132.75342	0.8
133.03474	2.6
134.16005	0.9
134.99669	1.1
135.04494	0.8
137.03006	1.5
137.05968	0.9
139.03998	1.3
143.01900	10.0
145.01746	1.0
145.03465	9.2
145.04999	2.1
146.99655	1.2
147.01411	1.2
147.05083	1.9
153.01828	11.8
153.02965	1.2
154.02235	1.5
155.01894	10.0
157.01605	1.7
157.03490	3.4
158.99677	3.3
159.05025	2.6
161.01570	1.4
161.02939	10.2
163.02718	1.9
163.04002	1.0
167.01950	2.9
167.07059	1.1
169.03497	2.4
170.99661	1.0
171.01407	1.3
171.05014	2.0
173.02946	12.7
174.03036	1.2
174.99115	0.9
175.02710	2.5
175.04512	3.5
177.00705	1.4
179.01978	1.4
184.04680	1.4
185.02969	11.4
185.04691	1.5
185.06676	1.5
187.02921	0.9
187.04478	4.1
189.00739	2.0
189.02458	1.2
189.04453	1.5
189.06111	2.7
197.03050	5.3
198.98602	1.1
199.02713	1.0
199.04582	0.9
200.07774	1.0
201.06068	6.7
203.04131	5.5
203.07704	1.1
205.00238	1.7
211.04562	1.1
213.06053	1.3
215.04082	4.0
215.07645	1.6
217.02031	2.0
217.03889	1.5
219.01675	1.3
221.05074	5.3
227.04066	2.0
229.05536	1.4
231.03485	1.4
237.02866	2.0
239.06430	2.5
243.07191	1.6
245.05093	26.3
246.05402	2.1
247.04807	2.7
247.06950	1.3
248.05283	1.4
252.10226	1.0
257.05084	3.3
259.06790	1.8
263.06183	5.4
265.57941	2.0
265.88705	0.8
267.00095	1.0
274.08240	1.0
274.58374	1.1
275.03149	1.3
275.06033	9.0
277.03418	2.0
277.07825	1.4
287.05841	1.0
291.06305	1.4
291.09183	5.8
295.08862	0.9
303.01288	1.1
305.07263	3.2
305.10501	0.9
307.06921	1.9
309.10361	1.4
317.07266	1.8
319.08801	1.3
321.10635	1.7
335.02820	1.1
335.08292	1.4
337.09644	1.1
337.20053	1.0
347.08090	1.1
351.11560	0.9
365.09317	2.4
367.09171	1.2
377.09399	1.0
437.14288	100.0
438.14679	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92317	1.0
57.23799	1.5
67.05520	1.6
69.03419	4.5
71.05921	2.5
74.00648	2.1
79.05483	2.0
81.03411	5.1
85.02893	3.0
87.04449	1.4
89.03911	8.0
91.05514	1.0
93.07060	1.4
95.08633	1.5
97.02901	1.6
97.06503	1.1
107.04924	1.8
109.02871	2.2
113.02362	6.3
113.03522	1.1
117.03376	8.4
121.23799	1.1
127.03944	1.6
135.04416	16.6
138.05530	1.9
139.03931	1.2
145.02864	10.3
163.03909	100.0
174.94359	0.9
181.04997	3.2
257.12848	2.2
275.13788	4.2
307.08087	4.4
325.09329	1.3
391.94574	1.8
414.96201	3.1
437.14279	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	1.1
55.66637	1.3
56.96579	1.6
69.03420	5.0
69.50195	2.8
69.50620	6.0
71.04992	1.2
73.15691	1.2
73.81334	1.3
74.06083	1.6
79.01844	3.9
81.03420	7.3
85.02907	8.0
97.02922	7.2
98.20799	2.8
98.21462	1.6
98.97571	4.7
99.04442	2.0
107.01305	1.7
109.02867	5.1
116.98640	1.2
123.04463	1.6
123.05531	1.5
125.02363	4.3
127.03924	8.2
128.98679	1.6
139.03915	4.3
141.06650	1.6
143.03365	4.8
145.04955	1.5
153.01840	100.0
153.02872	4.2
154.02216	2.5
158.99794	1.1
165.01814	3.2
167.95866	1.1
171.02878	9.2
177.00612	1.3
183.02972	2.7
189.04054	1.3
196.01912	1.3
201.00703	1.2
217.04759	1.4
225.78941	1.1
233.04573	1.8
257.15009	4.5
297.06058	4.4
315.07108	8.8
412.13586	1.4
431.37796	1.4
437.01175	3.7
437.16516	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03414	0.7
57.86548	0.7
64.75708	0.7
67.29995	0.6
69.03430	3.1
69.13908	0.6
70.06605	2.0
70.70913	2.1
79.01846	2.9
81.03423	8.5
85.02902	2.6
95.84095	0.6
97.02872	7.1
99.04437	1.8
109.02882	6.0
116.07122	0.7
125.02368	2.8
127.03915	6.9
143.03384	4.3
145.04965	1.9
153.01834	100.0
154.02155	1.2
156.07675	0.6
171.01408	0.5
171.02879	14.7
177.05458	1.6
205.19173	0.7
257.70975	0.7
297.06052	12.7
315.07120	14.6
329.64307	0.7
373.65857	0.7
436.15875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.2
57.98569	1.7
69.03454	2.3
70.91976	2.7
75.04475	2.6
79.05479	2.2
81.03432	3.1
85.02906	7.2
97.02876	3.5
98.21067	2.6
103.05472	1.7
105.07044	25.9
107.04948	2.1
109.02885	2.6
116.24084	1.7
127.03975	2.1
133.06499	54.0
137.05989	100.0
163.07562	5.7
165.09128	32.9
175.07520	2.2
181.08667	3.4
183.10190	24.5
203.10678	2.1
221.11685	4.0
239.12808	5.3
257.13846	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3471
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
52.24018	1.9
55.05509	12.6
57.07073	12.0
57.86497	1.8
58.02421	1.8
64.98979	1.8
66.07616	1.8
67.05510	9.2
69.03427	23.4
69.06770	2.0
69.07074	22.2
69.79380	9.3
71.08648	3.7
79.05471	5.9
81.07068	16.0
83.01341	16.7
83.08636	11.3
85.02861	1.8
85.06528	3.0
85.10201	2.2
89.06025	5.6
91.05467	4.3
91.10379	1.6
91.30380	1.6
93.07045	9.5
95.04963	2.4
95.08617	15.6
97.06539	15.1
97.10159	7.3
98.21325	4.8
98.98474	2.3
101.02413	2.2
101.12074	1.9
101.54282	1.8
105.07016	5.3
107.08617	9.0
109.06508	8.9
109.10145	8.4
111.11721	3.0
119.08571	4.9
121.10148	5.6
123.08092	2.1
123.11694	5.7
125.05997	46.0
125.09492	2.3
127.03918	7.4
133.08632	2.9
133.10107	2.4
135.08026	2.7
135.11662	5.1
137.05911	2.0
145.10095	3.6
153.05470	72.5
155.07069	2.6
157.10153	3.4
163.11180	1.9
165.09035	2.3
167.07018	6.2
189.99933	2.4
191.10686	2.7
203.10777	2.4
205.12315	2.0
209.11769	5.3
241.16017	2.3
254.52246	1.9
277.17926	2.0
279.19620	2.2
291.19162	2.0
300.17896	1.9
361.27426	2.4
386.95639	2.1
399.32632	2.8
417.33624	100.0
418.34024	5.9
435.34018	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	435.3471
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
54.96313	1.5
55.05512	17.2
57.03417	2.3
57.07077	21.0
61.69847	1.5
67.05508	12.6
69.03418	3.4
69.06721	1.8
69.07072	25.3
69.49046	11.1
71.04995	3.0
71.78671	1.5
73.06554	4.8
79.05485	4.6
81.07057	24.4
83.01348	12.3
83.04971	8.1
83.08624	12.5
85.02908	1.9
85.06549	9.6
91.05476	4.0
93.07047	13.8
95.08611	22.1
97.06524	6.6
97.10170	5.3
97.63643	1.3
98.20863	4.7
105.07020	4.4
107.08627	13.1
109.06519	4.8
109.10160	14.8
111.08068	4.6
111.11703	1.7
119.08590	4.4
121.06484	1.7
121.10158	9.8
123.08059	7.0
123.11727	8.7
125.06027	8.0
125.09612	4.8
126.06823	1.6
127.07555	3.6
133.10150	2.8
135.08145	2.0
135.11742	7.0
137.09634	7.1
137.13240	4.7
139.07549	28.1
139.11209	5.1
145.10103	2.5
147.11679	3.5
149.13263	7.1
151.07607	2.2
151.11172	6.2
151.14886	1.9
153.05508	2.0
153.09122	6.0
153.12721	3.1
154.12273	4.9
157.10068	1.7
159.11697	3.9
161.13315	3.5
163.11159	2.0
165.09175	1.6
167.10719	6.9
169.51500	1.4
171.14954	2.5
175.11240	1.8
177.12845	1.7
179.10744	2.3
179.14337	3.1
181.12245	11.6
189.12886	2.8
193.12343	2.1
195.13820	19.1
207.13815	9.6
209.15337	7.9
221.15431	2.8
223.16881	3.8
237.18452	2.4
249.18512	1.9
251.20255	2.6
265.21664	1.7
277.21609	2.1
290.67621	1.6
291.23523	1.9
313.35388	1.8
333.23871	2.4
333.27887	46.5
343.26199	7.0
347.29401	4.5
361.27362	22.7
375.32733	1.5
399.32565	5.5
417.33652	100.0
418.33917	4.9
435.34717	68.3
436.34775	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	435.3469
Annotation	amomol A
Peak:m/z	Relative Intensity
53.03953	2.5
53.62200	1.8
54.38424	1.7
55.05507	9.4
57.03444	2.2
57.06824	1.9
57.07078	25.3
67.05511	9.9
69.07079	13.0
71.08630	2.2
79.05475	6.2
79.16303	1.5
81.07058	21.5
83.01340	6.2
83.04993	4.2
83.08630	8.1
85.06547	13.4
90.61662	1.6
91.05498	5.0
93.07029	7.5
95.08596	18.4
97.06522	4.1
97.10138	3.9
98.21343	10.0
99.08074	1.9
103.08785	1.8
105.07025	5.2
107.04920	1.6
107.08589	5.2
109.06483	3.5
109.10166	15.4
111.08108	4.2
113.05952	1.7
119.08555	5.2
121.10130	6.4
123.08052	5.3
123.11703	10.4
125.05982	4.6
127.07660	1.6
129.64050	1.7
131.08537	1.7
133.10139	3.1
135.08006	2.3
135.11705	5.1
137.05943	3.0
137.09645	2.7
137.13223	3.6
139.07532	23.7
147.11650	3.9
149.13254	3.1
151.07541	6.8
151.11145	2.2
153.05501	3.7
153.12686	2.3
155.07040	5.1
159.11722	2.2
163.14832	3.8
165.09042	2.7
167.06995	4.5
177.12846	1.9
181.04955	27.1
181.12219	3.0
189.12685	2.2
193.08585	2.1
195.13808	4.3
207.13763	3.9
209.15466	3.1
221.15131	2.0
249.18307	2.1
257.00827	1.6
263.23462	1.9
333.24515	2.1
333.27905	12.4
361.27374	4.4
417.33759	100.0
418.33942	4.6
435.34741	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3471
Annotation	3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
Peak:m/z	Relative Intensity
53.03949	1.3
55.05517	6.1
57.03416	1.7
57.06822	1.2
57.07080	20.6
67.05505	9.3
69.03420	1.5
69.07074	8.5
69.86082	1.5
69.86483	2.5
71.05000	1.4
71.08627	1.0
71.31496	0.8
73.06524	0.9
79.05489	4.1
81.07061	15.5
81.55229	0.9
83.01357	7.0
83.04977	2.3
83.08173	1.0
83.08648	4.9
85.06553	13.9
85.68024	0.9
91.05472	3.6
93.07045	4.7
95.08616	14.8
97.02898	0.7
97.06521	2.9
97.10163	2.1
98.21240	1.8
100.97243	1.0
105.07016	5.1
107.08588	6.8
109.06515	3.3
109.10172	8.0
111.08074	2.7
111.11687	1.2
113.05992	0.8
119.08585	4.5
121.06480	2.1
121.10173	5.1
121.29409	0.7
123.08080	6.5
123.11701	6.8
125.05978	3.7
125.09625	3.0
127.07552	1.2
129.06981	0.9
133.10136	2.2
135.08104	1.9
135.11687	3.5
137.05995	2.4
137.09637	2.0
137.13228	1.8
139.07542	18.9
139.11197	1.1
145.10152	1.9
146.46516	0.7
147.08134	0.9
147.11688	3.2
149.09596	1.4
149.13287	2.9
150.96092	0.9
151.07545	5.4
151.11183	2.5
151.14793	1.1
153.09106	2.5
155.07056	1.3
157.10136	2.0
159.11708	2.0
161.09579	0.9
161.13257	2.0
163.11188	1.8
165.09174	1.7
167.06972	1.1
167.10719	2.0
171.11726	1.6
172.27336	0.8
179.10655	3.3
179.14294	1.2
181.04971	6.0
181.12259	3.6
185.13289	1.1
189.12840	1.9
189.16403	1.1
193.12157	2.5
195.13797	4.1
204.77110	0.9
207.13846	3.6
209.15437	2.5
223.16876	1.1
317.24500	1.4
333.27869	8.4
351.26938	1.0
361.27194	1.7
399.32648	2.5
417.33688	100.0
418.33844	2.7
435.34811	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	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03937	2.5
55.01859	1.3
55.05511	12.5
57.03433	1.4
57.07064	4.3
59.04996	1.5
60.48641	0.9
61.29329	0.9
65.03925	2.7
67.05504	52.3
67.19231	0.9
69.03424	1.3
69.06770	1.0
69.07071	10.9
69.47822	0.9
69.49046	0.9
69.64710	1.9
69.65118	4.7
71.04993	1.0
75.18492	1.0
77.03924	1.3
79.05489	26.2
81.03405	2.5
81.07058	31.8
83.04987	3.7
83.08621	7.2
85.06545	1.2
91.05479	26.4
93.07043	34.3
95.04963	5.8
95.08601	37.1
97.06502	1.7
97.10168	3.4
105.04535	1.2
105.07031	37.5
107.04967	1.9
107.08594	44.2
108.76455	1.0
109.06514	2.6
109.10155	41.4
111.08102	1.9
115.05402	1.3
117.07028	7.8
119.08575	58.5
121.10143	21.6
123.08073	2.1
123.11703	5.5
125.09618	1.1
128.06239	2.3
129.06985	7.5
130.07819	1.0
131.08565	17.3
132.42647	0.9
133.10132	38.0
135.11713	8.4
137.06004	1.0
137.13220	1.5
141.06998	1.3
142.07767	4.0
143.08559	11.9
144.09337	2.8
145.10118	38.3
147.11684	23.9
149.13257	6.4
153.09062	1.6
155.07039	1.5
155.08575	2.4
155.10675	1.8
156.09335	3.5
157.10126	19.0
158.10841	2.0
159.11696	43.6
159.13034	2.2
160.12384	1.1
161.09660	1.5
161.13248	13.8
163.07516	1.5
163.11230	1.5
163.14827	6.6
169.10147	3.6
170.10915	3.9
171.11685	20.4
172.12343	1.3
173.11765	5.0
173.13271	22.5
175.14830	25.0
177.16403	6.7
181.05006	1.6
181.10143	1.4
183.11612	5.4
184.12471	3.1
185.13269	10.4
186.14032	1.7
187.14824	23.0
189.12746	3.4
189.16374	24.9
191.14336	1.4
191.17950	2.8
195.11650	1.5
197.13248	5.3
198.14041	2.9
199.14821	24.7
201.16376	53.9
202.16684	1.3
203.17950	10.1
207.13762	5.4
207.17415	1.5
208.12373	1.2
208.31592	1.1
209.13283	3.0
211.14784	3.5
213.16386	35.7
214.16656	1.6
215.17955	15.5
215.19875	1.3
217.15965	1.9
217.19571	2.1
221.13380	1.1
223.14879	2.8
225.16344	3.1
227.17961	7.8
229.19537	2.9
231.17485	1.7
235.16899	1.9
237.16347	2.3
239.18040	2.7
241.19499	5.8
243.21124	1.7
247.16867	2.3
249.18546	1.5
251.17950	2.3
251.21826	1.1
253.19484	3.3
259.16870	1.8
265.19498	5.7
267.21042	2.7
269.22702	1.5
271.17004	1.2
273.18372	1.3
279.21027	2.6
281.22580	2.7
287.20056	1.4
293.22638	2.7
295.24384	1.1
303.04813	1.4
307.24121	2.2
313.21667	1.3
319.24185	1.8
327.23239	3.0
333.25684	1.6
341.24835	3.1
343.22852	1.0
347.27249	1.6
353.24933	1.4
365.24826	1.4
367.26349	1.3
379.26306	2.9
388.47754	1.0
389.32071	19.6
390.32446	1.1
407.33246	6.1
417.26263	1.6
417.31497	2.8
435.27255	16.5
435.32593	100.0
436.32928	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	435.3254
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03936	2.2
55.01861	1.8
55.05511	9.2
57.03423	1.3
57.07063	4.4
65.03947	1.5
67.05507	17.6
69.03415	2.1
69.07069	12.7
71.04970	1.3
71.49802	1.7
75.64624	1.0
79.05495	12.2
81.03416	2.3
81.07054	26.3
83.04970	3.2
83.08608	6.5
85.06545	2.2
91.05474	16.0
91.06004	1.6
93.07046	22.9
95.04983	5.0
95.08607	34.6
97.06534	1.6
97.10165	3.5
103.05472	2.6
105.07027	33.0
106.04182	2.1
107.04958	3.4
107.08594	44.1
109.06537	4.0
109.10147	21.6
111.08038	1.1
111.11707	1.4
115.05459	3.0
116.74815	1.1
117.07040	5.7
119.08579	53.0
121.02865	1.9
121.06512	3.3
121.10143	24.0
123.04446	2.6
123.11723	9.1
125.06008	2.5
127.03944	2.5
128.06233	2.4
129.06992	5.7
130.07756	1.9
131.04897	1.3
131.08563	20.8
133.06468	1.2
133.10129	39.3
135.08015	1.8
135.11703	11.3
137.05971	2.9
137.09637	2.0
139.07574	1.6
141.06915	1.2
142.07774	3.9
142.13580	1.1
143.08549	14.8
144.09325	3.4
145.06480	1.1
145.10124	39.7
147.08116	1.4
147.11690	15.0
149.05975	4.3
149.09590	2.0
149.13281	4.9
151.07619	1.3
151.11205	1.5
151.89873	1.0
153.01826	1.2
153.09129	2.7
155.08557	3.4
156.09344	5.7
157.10133	22.6
158.10873	2.1
159.08125	1.2
159.11688	40.1
160.12222	1.6
161.06017	1.5
161.09547	1.5
161.13272	10.8
163.07533	1.8
163.11195	2.1
163.14787	6.2
167.07045	7.5
169.08871	1.1
169.10120	5.3
170.10922	3.9
171.11702	22.2
172.12561	1.1
173.13254	22.4
175.07639	1.5
175.11235	1.5
175.14830	23.9
177.05502	3.9
177.16353	11.9
181.04936	9.0
181.08640	2.2
183.11664	5.2
184.12456	4.9
185.13271	10.6
186.14012	1.8
187.14832	31.2
187.16435	2.2
189.16388	23.8
191.17941	2.2
193.08624	1.7
193.12189	1.4
193.15932	1.2
194.10948	1.1
195.11595	2.3
197.13304	5.9
198.13972	1.9
199.14818	30.7
201.16386	53.4
203.10669	1.1
203.14311	2.3
203.17955	12.5
204.18224	1.1
205.15981	1.2
205.19565	2.2
209.08142	4.2
209.13344	2.2
211.14771	5.2
213.16374	28.8
214.75221	1.2
215.14450	1.3
215.17967	13.1
217.15924	1.7
217.19505	2.2
221.13417	1.6
223.14928	1.7
225.16521	2.2
227.17958	4.2
229.15942	2.3
229.19507	1.2
231.17447	1.6
233.08087	5.0
233.15382	1.7
235.16940	1.8
237.16333	2.3
239.17906	2.3
241.19560	4.2
243.17371	1.2
247.17007	4.7
249.18588	1.1
251.18002	2.6
253.19475	2.1
255.11493	1.7
259.16919	1.9
261.18503	1.8
265.19528	3.4
267.20987	2.4
269.19064	1.3
269.22827	1.3
273.18436	2.3
281.22641	2.5
285.18445	1.3
293.22604	3.8
295.24014	1.4
297.22079	1.1
303.04980	2.8
317.22498	1.2
325.21570	2.2
327.23352	3.0
333.25385	1.7
341.24841	3.2
345.65182	1.4
379.26224	1.7
389.32040	19.9
391.33368	1.3
407.33170	9.9
417.15579	2.4
417.31195	3.9
435.32617	100.0
436.32840	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03945	7.7
55.01870	2.9
55.05260	1.4
55.05514	26.9
57.03444	15.6
57.07072	2.1
59.04978	1.2
65.03944	3.6
67.05508	100.0
67.45679	1.0
69.03406	1.9
69.07073	20.2
71.01350	7.3
71.04993	8.5
78.35582	1.0
79.05497	75.2
81.03426	10.6
81.07059	46.9
83.04980	17.8
83.08627	6.5
85.06535	5.8
91.05485	37.0
93.07049	87.9
93.38437	1.1
95.04974	13.4
95.08614	16.9
97.06542	20.4
97.10175	16.5
98.20817	3.6
98.21485	2.5
99.08093	4.1
103.05434	1.5
105.04485	1.5
105.07031	14.4
107.04996	5.0
107.08599	51.7
109.06542	3.6
109.10166	22.1
111.08092	3.3
117.07034	8.9
119.08596	15.8
121.06516	4.7
121.10146	11.7
123.08074	1.8
125.06001	2.6
125.09608	2.7
129.07004	3.7
130.07794	2.0
131.08578	2.4
133.06528	2.4
133.10129	8.1
135.08087	3.2
135.11702	88.3
136.12056	1.2
137.09616	4.3
139.07561	1.0
143.08614	2.5
145.10129	17.8
147.11699	5.2
151.11221	1.4
153.01836	1.5
153.12738	3.7
157.10101	1.3
159.11714	2.1
161.09613	1.2
161.13300	2.0
163.11200	13.2
171.11676	4.3
173.11768	2.9
173.13220	2.0
181.12244	21.1
199.13348	4.1
207.13814	4.9
255.15939	1.6
273.83853	1.0
299.20090	1.6
315.23276	1.3
343.22592	3.0
417.26459	2.0
435.27460	71.4
436.27936	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	435.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90444	2.8
53.03947	6.6
55.01863	6.4
55.05510	19.0
56.39119	2.8
57.03441	15.7
57.07057	5.3
65.03935	4.0
67.05171	4.9
67.05503	61.0
68.48611	2.6
68.99779	5.6
69.03434	4.2
69.07067	20.0
69.57406	12.8
71.04980	12.3
74.13692	2.5
75.52407	2.8
79.05060	3.6
79.05491	48.9
81.03399	5.5
81.07061	71.1
83.01328	4.6
83.04966	8.1
83.08614	11.9
85.06537	5.8
91.05478	44.3
91.06018	4.9
93.07050	61.7
95.04977	17.1
95.08041	4.8
95.08607	56.8
97.06516	5.1
97.10155	4.5
97.48079	2.6
98.20815	5.1
99.08088	9.0
103.05436	2.8
105.07027	33.6
107.04922	4.4
107.08591	39.7
109.06516	10.5
109.10160	28.6
111.08060	6.0
112.04850	2.5
113.06034	3.5
115.05399	3.2
117.07001	10.6
119.08582	30.9
121.10139	29.6
123.04394	8.1
123.08023	5.9
123.11700	7.0
125.05965	8.3
127.03860	3.7
128.06221	3.6
129.07008	9.7
131.08565	25.3
133.10143	28.0
135.08035	5.0
135.11656	24.8
137.05946	5.8
137.09612	4.4
139.03893	7.4
139.07547	5.2
141.05467	100.0
143.08527	7.9
143.50908	2.7
145.10120	21.2
147.11705	25.2
149.09605	3.1
149.13281	14.6
151.03952	3.2
151.07491	5.0
151.11192	3.6
153.01825	3.0
153.05486	54.6
154.06212	8.7
156.09236	3.7
157.10170	8.5
159.11674	14.2
161.09525	3.8
161.13239	9.8
163.14772	4.8
165.12737	3.3
167.03404	61.4
167.07028	5.9
169.05031	5.2
171.11673	14.7
173.11902	2.5
173.13237	15.5
175.07457	3.5
175.11177	4.2
175.14822	9.1
177.05424	3.7
179.07028	10.7
181.04971	26.4
185.13354	5.6
187.06001	4.6
187.14821	10.9
189.16411	6.6
191.10612	2.7
193.04895	3.1
197.13211	4.1
199.14822	7.3
201.16386	9.4
203.17981	3.3
206.05907	3.5
207.06535	4.6
207.13849	4.6
213.16351	4.0
215.17957	4.0
217.08578	3.9
241.19547	4.6
256.26306	3.1
259.20578	6.9
277.21637	24.2
284.59702	3.1
320.67853	3.5
389.31943	4.1
420.68665	2.8
435.27344	8.1
435.32959	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	435.3105
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
55.05522	14.9
57.07080	15.7
62.15192	1.8
67.05508	19.7
69.06700	3.0
69.07060	17.6
69.41687	8.2
69.42114	8.4
71.08601	2.6
72.46352	2.4
78.55536	2.0
79.05491	8.4
81.07054	26.7
83.01323	6.5
83.04977	5.0
83.08622	13.4
85.06530	7.5
85.62060	2.3
91.05473	3.8
93.07037	9.7
95.08598	26.0
97.06538	4.8
97.10152	6.7
98.20915	8.2
98.21557	4.0
105.07008	6.6
107.04901	2.0
107.08561	7.7
109.06517	4.9
109.10142	13.1
111.11736	2.4
119.08552	7.1
121.06490	2.2
121.10137	8.4
123.08078	3.1
123.11697	8.2
125.05975	4.6
125.09598	3.0
133.10155	4.2
135.11716	4.7
137.05988	4.4
137.09645	2.3
137.13240	3.5
139.07530	25.7
147.11636	3.6
148.38524	2.1
151.07513	5.7
151.11194	3.9
153.09087	3.9
155.07047	24.0
160.63161	1.9
163.14819	2.6
165.09140	3.4
167.07039	25.9
167.10739	2.2
181.04961	100.0
181.12234	4.4
183.06494	4.9
189.12640	2.7
191.06915	2.6
195.13765	4.5
207.13846	2.3
209.08125	5.3
209.15411	3.5
221.11705	3.7
231.10081	2.6
232.90561	2.3
245.22627	4.3
263.23752	6.4
306.72540	2.2
333.24374	2.3
333.27838	12.0
361.27341	5.7
399.28848	3.0
417.29346	14.8
417.34320	46.6
435.34680	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.0
55.01864	7.2
55.05519	24.0
57.03424	10.7
57.07063	3.8
57.20377	3.0
59.31666	3.1
65.03951	5.6
67.05511	52.3
69.03436	20.0
69.03746	3.5
69.07070	9.9
69.23529	13.5
69.23953	22.9
71.04989	7.2
79.05499	58.9
81.03410	11.7
81.07061	71.5
83.04984	16.2
83.08624	13.3
85.02914	4.6
85.06542	5.3
91.05492	57.7
93.07059	45.2
95.04973	32.5
95.08617	32.8
97.06525	14.7
98.20698	6.4
98.21381	11.4
99.08041	4.2
103.05437	5.1
105.04517	3.9
105.07033	36.9
107.04955	32.4
107.08609	22.2
109.06522	16.3
109.10159	11.6
111.04469	4.1
111.08127	6.9
112.26306	3.3
115.05482	6.9
117.07049	16.3
119.08585	28.9
119.45570	3.1
121.06521	27.8
121.10160	20.6
123.04401	5.0
123.08060	9.6
123.11722	9.6
125.06036	16.3
125.09663	9.9
127.03926	3.8
128.06187	3.8
129.07010	14.5
131.08571	30.4
133.06497	12.3
133.10175	20.3
135.04454	3.6
135.08076	18.3
135.11703	14.5
137.05991	24.1
137.09602	7.7
139.07561	8.3
139.11125	3.8
141.06984	5.3
143.08578	13.3
145.02711	3.3
145.06487	5.5
145.10138	20.8
147.08049	14.0
147.11728	10.8
149.05978	12.0
149.09601	11.2
149.13298	4.3
151.07552	14.6
151.11206	4.3
151.90353	3.5
153.05482	8.2
155.07045	71.4
155.08299	3.0
157.10127	12.2
159.08047	5.1
159.11739	15.8
161.09660	22.1
161.13287	7.5
163.07562	5.9
163.11189	13.6
165.09192	4.2
167.07057	55.3
167.08421	7.3
169.10118	3.6
171.11717	11.1
173.13272	6.7
175.07454	5.3
175.11116	5.6
175.14847	6.0
177.05466	8.2
177.12784	6.5
179.10712	5.1
181.04977	100.0
181.08444	7.8
183.11646	4.3
185.13182	9.0
187.11174	6.2
189.12747	11.3
191.07043	11.2
197.13213	3.5
199.14842	8.5
201.12682	6.5
205.08575	4.7
205.12215	5.0
207.06538	4.2
207.13780	4.3
209.08026	11.6
210.08904	4.3
217.15892	5.3
219.10179	4.4
219.13773	7.2
223.09534	5.6
227.14322	10.0
231.10275	4.3
233.08096	18.1
245.15393	12.1
263.16351	9.3
303.04947	7.1
325.22034	4.0
343.22482	5.1
375.78702	4.3
387.14023	4.8
417.15363	8.3
417.26462	5.0
435.27557	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	435.2375
Annotation	Lophanthoidin F
Peak:m/z	Relative Intensity
55.05515	28.7
65.03933	5.2
67.05156	8.7
67.05505	100.0
69.03426	13.7
69.07074	24.2
71.04993	9.9
71.58188	6.5
78.10214	4.8
79.05500	68.8
81.03409	14.4
81.07065	83.3
83.04959	14.1
83.08627	12.4
88.66215	4.3
91.05476	45.2
93.07050	57.1
95.04963	32.9
95.08604	38.7
97.06504	13.2
97.10139	6.5
102.94749	4.8
105.07032	43.4
107.04941	13.8
107.08595	30.4
109.06532	10.4
109.10154	30.0
109.95480	5.3
117.07017	12.1
119.04914	6.5
119.08577	39.8
121.06503	17.1
121.10143	15.3
123.04427	7.4
123.08054	9.6
123.11726	7.0
125.09576	5.8
127.03903	19.8
129.06989	19.0
131.08545	25.7
133.06477	5.7
133.10141	23.7
135.08020	9.2
135.11700	18.0
137.06073	5.5
137.09572	5.6
139.03862	16.3
143.08516	13.5
145.10144	21.0
147.08105	6.9
147.11676	20.1
153.01813	26.4
155.07091	5.8
155.08499	6.8
157.10143	13.8
159.11687	5.9
161.09641	9.5
161.13261	12.5
166.94479	5.5
171.11694	13.0
172.54962	5.1
173.11868	6.6
173.13260	10.1
175.14728	7.8
181.04884	6.2
181.12315	5.1
185.13232	8.2
186.15118	5.2
187.14890	10.5
189.12808	7.8
201.16330	7.0
207.13826	10.9
247.17094	6.0
264.36420	5.3
273.18634	9.9
303.05042	14.9
325.21405	7.2
343.22638	16.6
347.79358	5.6
361.23651	6.6
417.26523	16.0
435.27225	52.2
435.32330	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	435.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
55.01860	12.0
55.05505	20.5
57.03425	10.8
57.07067	5.8
59.57181	3.1
65.03928	6.3
67.05506	58.2
69.03432	25.2
69.07059	17.1
70.03757	17.0
71.04988	9.1
73.02914	3.7
75.95077	3.2
79.05495	58.9
81.03408	10.7
81.07064	76.7
83.01334	5.2
83.04976	15.2
83.08613	12.9
85.02888	8.5
85.06531	6.9
91.04958	5.4
91.05483	68.0
93.07046	64.2
95.04972	35.1
95.08608	33.7
97.06533	16.0
98.21079	8.8
99.08085	6.2
103.05491	4.4
105.07037	47.5
107.04973	26.6
107.08602	29.9
109.06529	21.5
109.10173	19.2
111.08093	7.0
115.05350	3.0
117.07020	27.2
119.08600	38.8
121.06523	29.9
121.10165	18.2
123.04410	8.2
123.08053	14.8
123.11702	6.2
125.05965	11.9
125.09619	7.2
129.07028	17.4
131.08577	27.0
133.06502	8.4
133.10139	28.9
135.08054	19.0
135.11685	15.8
137.05962	24.1
137.09616	9.7
139.07510	3.9
141.06960	8.3
142.07701	4.4
143.08556	13.7
145.06476	6.3
145.10149	23.6
147.08055	10.3
147.11681	13.2
149.05962	10.3
149.09605	9.9
149.13251	8.8
151.07526	12.6
153.09041	4.9
155.07042	88.0
155.08360	4.5
157.10155	15.4
159.08058	6.4
159.11710	31.3
161.05928	4.4
161.09624	25.6
161.13258	13.6
163.07539	5.8
163.11166	12.9
165.09145	6.0
167.07033	46.4
167.10704	6.0
169.10083	6.0
171.11690	11.6
173.13258	14.7
175.07515	4.7
175.11105	3.7
175.14830	6.4
177.05490	8.2
177.12749	13.0
179.14334	4.6
181.04970	100.0
181.08562	8.7
183.10144	3.5
183.11710	11.2
185.13232	12.9
187.11212	12.0
189.12762	10.9
189.16467	5.1
191.07011	6.2
193.08698	4.9
193.12141	3.6
199.11273	3.2
199.14786	7.9
201.12804	9.0
201.16449	9.0
203.14363	4.1
205.12209	11.0
207.10117	4.3
209.08075	11.8
211.65407	3.4
217.15868	5.3
219.13779	6.8
223.09650	4.3
227.14267	11.4
227.17957	4.7
233.08080	6.9
245.15323	21.4
263.16385	12.3
303.04700	5.0
327.77173	3.6
343.22797	7.5
417.15341	5.1
417.26303	4.9
435.27423	14.0
435.32556	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	435.2742
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03942	4.6
55.05521	17.2
57.03431	4.9
57.07065	3.9
62.53414	1.8
65.03936	4.3
67.05170	3.6
67.05511	64.3
69.03439	2.6
69.07070	15.8
70.71072	6.1
71.04987	9.1
76.53831	2.5
78.95390	2.2
79.05498	39.0
79.05946	2.7
81.03411	2.8
81.07059	57.7
83.01341	2.9
83.04972	5.6
83.08607	8.9
83.54474	2.1
85.06541	3.8
91.05487	30.1
93.07048	44.4
95.04977	12.2
95.08047	3.3
95.08616	47.1
97.06521	6.9
97.10145	5.5
99.08134	2.1
100.57365	1.9
105.07048	24.7
107.04978	2.7
107.08602	29.0
109.06508	7.1
109.10164	29.9
111.04456	2.4
111.08063	3.8
117.07019	7.6
119.08601	22.4
121.10155	31.3
123.04438	11.7
123.08082	4.1
123.11717	4.4
125.09642	2.7
129.07014	5.0
131.08586	16.4
133.10144	19.1
135.11729	19.5
137.05974	3.1
137.09665	2.8
139.03940	3.6
139.11153	2.7
141.05473	100.0
143.08571	6.2
145.10132	14.0
147.11708	12.9
149.13252	9.6
151.07487	3.0
151.11095	2.5
153.05469	18.6
155.07130	2.5
157.10135	8.3
159.11662	11.2
161.13264	6.1
163.14815	6.2
167.03410	54.8
169.08749	3.1
169.10159	2.7
171.11684	9.0
171.22263	2.1
173.11736	6.4
173.13258	8.2
175.14777	10.6
179.07144	2.3
181.12302	2.1
183.11641	2.3
185.13278	6.9
187.14809	9.8
189.12776	2.2
189.16388	2.8
191.14326	3.8
195.06543	3.0
195.13629	2.0
199.14813	6.9
201.16389	7.8
205.15849	2.3
207.13747	5.0
213.16399	4.1
215.17947	4.9
225.16542	2.3
241.19531	5.8
259.20581	9.7
277.21661	24.7
349.02411	2.3
389.32004	4.8
399.25293	2.4
428.43002	2.4
435.27139	9.0
435.32574	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
51.43010	3.1
53.03944	12.2
55.01871	11.2
55.05511	26.9
57.03432	10.9
57.07071	8.2
65.03938	7.2
66.58033	2.4
67.01867	3.5
67.05506	74.0
68.99815	5.6
69.03429	37.9
69.07066	16.0
71.04992	8.3
73.02879	2.7
79.05494	71.8
81.03426	14.7
81.06573	4.8
81.07055	100.0
83.04993	24.3
83.08607	13.1
85.02897	5.6
85.06543	11.3
91.05482	68.4
91.72955	3.1
93.07050	71.4
95.04972	33.4
95.08606	63.7
97.02888	4.3
97.06542	12.3
97.10156	6.3
99.04539	3.0
99.08114	5.2
99.13343	3.0
101.83001	3.0
103.05459	4.7
105.07037	50.7
106.04147	5.8
107.04974	29.0
107.08610	47.4
109.06540	17.1
109.10168	23.2
111.04367	3.4
111.08114	6.3
113.05996	3.3
115.05435	3.4
116.06228	3.5
117.07019	25.9
119.04979	6.0
119.08585	39.1
121.02914	3.8
121.06514	26.6
121.10148	34.3
123.04452	19.7
123.08042	15.4
123.11713	11.0
125.06023	19.7
125.09653	8.6
127.03931	48.5
128.06242	5.8
129.07019	20.1
131.04942	5.7
131.08569	46.3
133.06479	11.8
133.10141	34.5
134.69807	2.6
135.04405	3.0
135.08044	16.0
135.11693	21.2
137.05994	20.5
137.09637	8.2
139.03896	37.2
139.07568	3.8
141.05429	2.6
142.07773	3.6
143.08566	21.7
145.06477	8.7
145.10117	39.3
147.08051	10.5
147.11681	19.9
149.05988	13.7
149.09624	16.3
149.13275	10.5
151.07590	8.1
151.11198	6.8
153.01839	95.3
153.05522	7.7
153.08977	2.9
155.03450	4.2
155.07045	11.3
155.08514	5.5
157.06561	3.8
157.10197	16.1
159.08073	8.5
159.11688	17.2
161.05942	3.5
161.09639	14.6
161.13234	13.9
163.03935	11.1
163.07581	3.0
163.11174	10.2
165.05519	13.6
165.09120	9.1
165.12758	4.6
166.91791	2.8
167.03442	3.5
167.07072	29.1
167.10715	6.1
169.08731	4.5
169.10141	8.4
171.11670	15.2
172.05232	2.9
173.05942	2.9
173.09641	5.4
173.13336	10.5
175.11192	8.9
175.14870	3.1
177.05507	13.1
177.09070	3.3
177.12730	5.2
178.05025	8.1
181.04977	40.7
181.08583	9.0
181.10085	4.8
183.11707	5.8
185.13312	10.3
187.07552	3.5
187.11063	2.9
187.14822	9.4
189.09184	3.2
189.12767	12.4
189.16534	3.5
191.07018	7.4
191.14398	4.2
193.04985	3.1
193.08612	7.0
193.12228	8.6
195.06473	4.8
195.13829	4.0
197.13364	3.6
199.14816	7.2
201.12877	3.5
205.08589	5.0
205.15910	6.9
207.13811	3.2
209.08151	10.6
215.14244	4.8
217.08600	4.3
231.17361	3.9
233.08047	14.3
233.15305	3.7
245.19151	5.7
247.16924	12.2
263.09222	3.4
263.16354	4.3
273.18472	31.8
277.08157	3.1
291.19562	12.0
303.01682	3.9
303.05002	11.4
343.22614	15.3
361.23624	4.9
381.20544	6.0
399.21545	11.7
417.15350	4.9
417.26389	11.6
435.27530	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	435.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.03421	8.4
58.42379	2.2
62.20729	2.6
65.03940	4.1
67.05508	5.4
69.03435	11.7
69.07057	2.8
71.04984	4.2
71.17699	4.9
73.02909	10.5
73.06544	6.5
79.05473	5.2
81.03452	4.0
81.07038	7.8
83.04990	4.0
85.02903	20.9
87.04483	2.8
91.05470	14.9
93.07031	5.3
95.04972	6.0
95.08570	5.9
97.02900	15.7
97.06491	3.3
99.04465	2.4
99.08097	2.8
100.06483	2.8
105.07030	21.2
106.07352	5.7
107.04946	13.2
109.02884	4.6
109.06568	2.7
115.03895	5.5
117.06992	3.1
119.04937	6.7
119.08580	3.6
121.02856	7.0
121.06523	3.9
121.10126	4.2
122.03648	2.9
123.04448	15.1
125.06034	3.2
127.03905	6.9
127.72314	2.8
129.06975	7.6
131.04903	7.0
131.08582	6.6
133.04977	2.4
133.06476	3.6
133.10161	4.7
135.04459	4.4
137.05978	34.5
138.05507	3.3
145.06519	3.7
146.06055	5.3
146.07246	6.6
147.04396	8.7
148.05215	4.8
149.05972	6.5
151.07542	24.5
153.01839	6.2
154.02049	2.8
157.06544	4.0
159.08110	2.6
161.05981	100.0
161.09619	21.8
163.03906	4.1
163.07536	10.9
165.01871	7.5
167.06992	10.4
167.08340	2.9
168.50909	2.5
169.06581	2.3
171.08017	3.2
174.06807	4.7
175.07533	6.4
177.09140	4.9
181.04956	10.9
183.02873	5.6
189.07391	3.6
189.09108	63.0
191.03406	5.1
191.06914	3.9
195.02888	20.8
195.07999	4.6
207.08205	4.9
207.10170	93.6
208.10481	3.0
219.02850	9.4
219.10258	4.9
221.06055	2.6
227.10693	2.8
231.02882	6.1
233.08067	7.4
237.11215	3.7
247.02553	6.1
249.03873	4.4
253.12428	3.5
254.66501	2.3
255.06596	3.1
255.10371	3.7
257.00812	11.4
261.04001	5.9
264.55585	2.8
267.10181	3.2
273.12347	3.9
275.01898	11.0
285.00180	9.3
285.07541	6.1
285.11105	3.8
287.12741	11.3
297.07617	3.5
303.01413	92.4
303.04788	6.8
304.01608	4.2
313.14377	9.1
330.14545	2.7
331.15463	13.6
339.08646	5.8
343.00912	4.6
363.08072	2.9
405.19247	3.7
417.15353	2.9
435.12570	2.6
435.21475	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	435.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39834	1.6
53.03952	3.4
54.06775	1.4
55.01867	3.1
55.05507	2.3
57.03434	3.1
58.82235	1.4
64.68755	1.5
65.03938	4.5
67.05501	3.9
69.03434	5.1
69.07053	1.6
70.92359	3.2
71.04993	2.6
73.02917	4.5
76.69131	1.5
77.07935	1.3
78.04701	2.4
79.05497	15.6
81.03422	3.7
81.07054	4.5
82.04211	1.6
82.88237	1.4
83.04989	2.4
85.02901	5.4
87.85746	1.5
91.05482	19.3
93.03431	3.0
93.07044	13.1
95.04980	7.7
95.08643	1.4
96.95942	1.4
97.06538	2.7
103.05486	12.7
105.03471	1.7
105.07037	12.7
106.04160	3.5
107.04278	2.7
107.04964	39.8
107.08562	3.0
109.06490	2.8
109.10143	2.2
109.64805	1.9
110.03674	1.8
111.04455	2.9
115.05497	7.3
117.07026	9.4
119.04953	4.5
119.08599	1.8
121.02843	5.4
121.06519	20.1
121.10132	2.8
123.04447	9.4
123.08091	3.1
124.05214	4.6
125.05924	3.9
127.03911	2.8
128.06210	5.6
129.05554	2.1
129.07028	19.2
131.04935	9.5
131.08589	10.8
133.02846	1.8
133.06480	7.7
133.10083	2.0
135.04462	2.2
135.08073	4.8
137.02304	1.9
137.05980	17.9
138.03160	1.6
138.06834	1.8
140.04695	2.3
141.06996	1.7
143.05023	1.8
144.05745	3.6
145.06500	14.4
147.04417	5.4
147.08093	4.2
148.05206	3.0
149.05971	10.5
150.06850	1.7
151.03899	5.9
151.07573	17.8
152.04657	3.9
152.06129	1.6
153.01859	8.4
153.05489	12.5
155.04936	2.0
155.06006	2.3
157.06516	14.6
159.08061	3.4
161.05995	29.5
161.09575	8.1
162.06830	1.7
163.07527	16.1
165.05620	3.1
165.06860	6.8
165.09105	7.7
166.06265	6.9
167.07059	100.0
167.08467	4.0
168.07387	1.6
169.06526	2.1
171.06546	2.7
172.05186	4.1
173.05943	7.1
174.06831	8.3
175.07552	10.4
177.05573	6.9
177.06900	2.1
177.09102	5.6
178.07813	2.4
179.07004	4.2
179.08537	3.6
180.07648	2.2
181.05008	41.4
181.06610	2.5
181.08607	67.6
182.07277	3.4
183.08044	2.2
185.09570	1.7
187.07495	2.9
189.05493	3.8
189.09120	58.3
190.06239	2.0
190.07738	2.6
191.07019	6.5
191.08649	2.4
191.10666	2.3
193.06471	4.2
193.08525	3.7
194.07301	2.3
195.06438	2.3
195.08034	11.0
197.05991	2.2
197.09644	5.9
199.07573	1.7
200.04745	1.9
201.05511	5.1
203.07068	1.8
205.06607	2.2
205.08641	5.7
206.05745	1.9
206.07458	2.2
207.08199	3.6
207.10178	12.8
208.08884	3.4
209.06001	3.6
209.08066	5.0
210.06796	4.7
211.07552	4.6
213.09103	2.7
217.08664	3.5
218.05682	3.5
219.08073	4.9
219.10225	3.9
221.06104	2.9
221.08084	5.2
222.06760	3.5
223.07608	10.0
223.11189	4.4
224.08333	2.5
225.05453	2.1
225.09160	10.4
227.07080	6.3
233.05823	2.5
233.08061	29.6
235.07579	3.6
236.08487	3.1
237.09161	3.3
238.06352	1.9
239.06985	4.9
239.10715	3.7
240.07751	4.6
241.08710	6.2
242.09290	2.0
247.07648	4.0
249.09134	3.1
251.06940	4.1
251.10954	3.3
253.08556	10.7
254.09390	2.6
255.06674	3.7
255.10098	7.7
257.11752	11.1
259.09729	2.2
263.06866	1.9
263.09232	6.2
264.07877	2.1
265.08606	3.0
267.06531	2.7
267.10229	5.2
268.07190	3.0
269.08142	6.1
270.08945	3.6
279.10190	5.4
280.11176	1.6
281.08090	2.4
283.09650	12.3
283.13306	8.8
285.07919	2.8
285.11185	25.2
287.09088	2.3
295.09598	3.6
296.10352	2.8
297.11227	4.6
299.12589	2.1
302.11536	5.8
303.05017	28.3
311.12613	7.2
313.07404	2.4
313.10797	2.3
315.12329	17.1
316.13104	2.9
317.13791	22.2
329.10397	2.8
329.13922	6.4
331.15515	5.0
343.15332	18.2
346.14175	8.9
359.15063	9.0
360.15652	42.2
361.16483	36.7
381.13373	2.0
387.14331	4.4
399.14380	2.8
403.17560	2.7
417.15552	33.6
417.21130	3.2
441.58344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03939	2.7
55.01870	1.7
55.05509	4.1
57.03409	1.1
57.07067	1.3
57.43745	0.8
65.03941	8.0
66.31982	0.8
67.05492	5.9
68.99786	0.8
69.03444	5.5
69.07057	1.9
70.86221	2.6
73.00614	0.9
73.02908	3.0
74.76902	0.8
79.05495	8.4
81.03419	4.4
81.07061	4.9
82.00574	1.1
82.04198	3.3
83.04972	2.6
83.08611	1.4
85.02908	7.7
85.06525	1.7
91.05482	7.9
93.03404	3.0
93.07036	4.2
95.04957	6.5
95.08610	3.3
97.02891	2.2
97.06549	2.4
98.21140	1.4
100.11250	5.7
103.05446	5.1
105.03383	1.7
105.04534	0.9
105.07027	4.3
106.04176	3.8
107.04957	19.8
107.08584	3.1
108.02078	1.4
109.06513	2.3
109.10152	1.8
110.03656	4.8
111.04433	3.8
111.08068	1.1
115.05460	3.7
117.07032	5.8
119.04951	4.5
119.08578	1.8
121.02905	4.9
121.06496	4.4
121.10134	2.9
123.04437	6.2
124.05218	3.3
125.05973	4.5
127.03938	5.3
128.06232	1.8
129.06975	3.1
131.04942	3.7
131.08595	3.5
133.06509	3.6
133.10150	1.6
135.04410	1.2
137.02321	1.6
137.05971	3.4
138.03098	2.2
139.07541	1.7
141.07005	1.8
142.02594	2.6
143.04939	1.5
144.05707	4.3
145.06483	10.1
145.10112	1.1
147.04402	9.6
147.08070	1.2
147.11688	1.4
148.05246	1.7
149.05991	4.0
151.03880	1.1
151.07510	2.2
152.04698	2.8
153.01833	17.8
153.05492	1.7
153.09081	1.0
155.06010	2.2
155.07140	1.6
157.06474	4.8
157.10086	1.0
159.04465	1.7
159.08044	5.0
159.11707	1.5
161.05951	5.4
163.07561	3.2
165.05492	2.1
167.07048	53.1
168.07425	1.1
171.06578	6.3
172.05164	9.2
173.05949	7.2
175.07565	2.8
175.11203	1.0
177.05434	7.2
179.07080	1.4
181.04967	100.0
181.08435	2.1
182.05286	1.1
182.15421	2.2
185.05919	1.2
187.07524	6.9
189.05423	2.7
190.06241	2.7
191.07047	9.1
191.10677	2.5
193.04955	1.4
193.08641	1.1
195.06598	1.6
200.04694	4.1
201.05435	6.3
203.06989	1.5
205.08604	4.7
206.05777	2.6
207.06497	1.0
207.10170	1.2
209.08058	6.3
210.14917	2.9
217.08640	2.4
218.05672	5.9
219.06502	1.7
219.10066	4.2
220.07292	1.1
221.08130	6.3
229.05019	1.5
233.08086	54.0
234.08620	1.3
235.09636	1.3
237.05511	1.0
245.08215	2.7
251.09164	3.2
263.09201	11.5
273.07608	17.8
273.12268	2.0
277.08679	0.9
279.09970	1.6
283.06058	9.6
292.07376	1.2
300.10742	1.0
303.01541	2.0
303.04984	21.4
305.08240	1.4
307.09567	1.4
323.09253	1.2
325.10818	1.2
329.13892	1.1
331.74710	1.2
335.09250	1.1
337.10852	1.4
339.12427	1.3
343.11789	1.1
344.12607	1.1
355.11642	3.7
367.11877	2.4
381.13416	3.2
387.14429	9.6
399.14398	5.4
403.49353	1.1
417.15421	29.9
435.10724	2.9
435.16446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.05502	4.5
64.17944	2.9
65.03954	8.0
67.05515	7.0
69.03434	9.0
71.46430	4.3
79.05491	19.1
81.03428	5.6
81.07049	8.3
85.02880	11.9
91.05480	11.9
93.07043	3.5
95.04944	10.2
95.08580	5.5
97.02898	8.5
97.06531	5.6
103.05460	11.4
103.47038	2.6
105.07054	9.1
107.04975	40.3
109.02868	3.3
115.05460	8.7
116.27155	3.2
117.07009	10.5
119.04966	7.5
121.06542	4.5
122.03605	2.9
123.04440	14.5
124.05204	3.5
125.05955	2.9
127.03933	6.9
128.06157	3.6
129.07005	8.1
131.04932	11.3
131.08516	4.7
133.06512	6.8
135.04440	3.9
137.05992	37.5
141.09065	5.0
144.05714	5.0
145.06509	16.7
147.04402	10.5
149.06023	3.9
151.07570	4.9
152.04797	3.1
153.01833	13.2
154.08655	5.0
155.08939	6.1
157.06491	8.8
159.69817	3.3
161.06006	15.3
163.03880	5.6
163.07529	11.9
167.03433	4.6
167.07063	100.0
172.05223	9.8
173.06052	13.5
175.07458	5.5
177.05486	4.5
179.07028	6.7
180.07751	4.1
181.04980	90.6
181.08521	7.0
185.06055	4.6
187.07448	18.4
189.05498	7.5
189.09111	8.2
190.06215	5.5
191.07021	6.4
195.02890	4.0
199.07376	5.5
200.04712	3.9
201.05380	14.9
203.07051	7.0
205.08629	14.1
206.05701	3.9
207.06557	6.0
207.10149	4.2
216.07680	3.8
216.10147	3.3
217.08612	6.2
218.05739	14.2
219.06554	7.4
219.10146	3.0
221.08109	16.5
233.08112	92.6
235.09695	4.4
243.08806	31.0
244.09576	69.5
245.08150	6.3
247.07492	3.8
251.09259	6.0
253.08707	5.7
263.09238	18.5
264.07880	3.6
273.07617	8.3
277.08508	3.3
285.07266	3.0
285.11276	8.0
295.09894	3.8
303.01373	19.9
303.04956	11.6
311.12903	5.4
323.09229	3.4
331.08060	7.5
360.15707	4.9
364.27045	3.1
367.11755	5.3
378.15305	17.3
379.16193	36.0
387.14355	9.1
399.14526	6.7
417.15561	91.7
439.62335	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	2.4
53.03945	3.5
55.01867	4.1
55.05503	3.6
57.03424	3.5
65.03938	9.6
67.05497	9.1
69.03424	8.2
71.57188	5.4
72.22697	3.4
77.03881	2.7
79.05505	18.1
81.03425	11.3
81.07061	9.5
82.04205	3.1
85.02907	11.6
91.05478	11.9
93.07040	9.8
95.04980	10.3
95.08599	10.5
97.02899	9.1
97.06548	8.7
98.21091	3.5
103.05479	16.8
105.07051	9.8
107.04969	48.8
109.02872	4.5
109.06538	3.4
110.03696	5.8
111.04426	3.1
115.05469	9.9
117.07025	13.8
119.04963	4.7
119.08580	3.6
121.02900	3.7
121.06501	11.5
122.03719	3.9
123.04473	15.8
123.08073	7.4
124.05217	3.5
125.05974	7.5
127.03916	3.7
129.06990	5.8
131.04959	18.5
131.08589	8.3
133.06523	8.1
137.05983	41.7
138.03076	3.3
141.09109	5.6
142.02625	5.2
144.05690	6.7
145.06436	20.4
145.10103	4.0
147.04500	7.2
147.07930	4.1
149.06012	9.5
151.07518	7.0
153.01851	11.0
153.05396	5.9
154.08649	11.9
155.06007	6.0
155.09009	3.7
157.06531	6.9
159.07990	6.0
161.06001	24.1
161.09569	3.6
163.03949	4.4
163.07556	12.1
165.05484	3.4
167.07048	95.6
167.08408	6.2
171.06641	4.0
171.07950	3.9
172.05211	11.1
173.06013	13.2
174.06818	3.5
175.07527	6.3
177.05531	5.3
177.09131	4.6
179.06976	5.9
180.07758	5.5
181.04967	98.4
181.06532	6.2
181.08591	15.7
182.05379	4.0
185.05949	5.4
187.07477	13.8
189.05489	6.6
189.09122	6.7
190.06296	6.6
191.07104	3.4
195.02899	4.2
195.06570	7.5
199.07419	5.9
200.04707	5.2
201.05458	13.1
202.06306	4.6
203.07132	5.0
205.08621	13.6
207.10210	6.3
216.10092	3.9
217.08643	6.4
218.05721	18.4
219.06525	7.3
219.10121	4.1
221.08099	17.7
229.04997	3.7
233.08090	99.8
233.10397	5.8
235.07536	4.1
235.09650	4.9
243.08841	39.0
244.09589	100.0
245.08025	5.9
251.09203	8.1
263.09195	19.2
273.07507	10.2
275.01886	4.5
285.11221	10.3
295.09579	3.8
303.01340	22.4
303.04990	14.0
307.09515	4.0
309.07220	3.4
311.12933	3.8
346.10367	4.3
355.11609	4.6
367.11847	8.4
369.09433	3.9
378.15396	20.1
379.16089	36.8
387.14569	14.1
399.14398	10.5
417.15460	86.8
435.18146	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	435.0924
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03439	0.8
57.82305	0.4
61.02912	1.5
68.99801	0.5
69.03415	0.5
70.92426	0.8
73.02921	13.5
93.22369	0.4
109.02898	0.5
111.00814	1.1
115.03927	1.0
121.02842	0.8
132.53647	0.4
137.02341	3.4
149.02290	0.6
153.01822	4.7
163.03975	1.0
165.01845	1.8
166.02504	0.4
183.02951	0.8
183.04440	0.7
187.03932	0.4
201.05498	2.3
206.87720	0.4
229.04961	5.3
247.06056	1.0
256.44254	0.4
257.04520	2.8
274.04865	0.9
285.04102	1.9
303.05011	100.0
304.05368	2.1
374.85184	0.4
455.63235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.91484	0.6
57.03414	0.7
65.03936	1.3
66.13011	0.6
67.01851	1.1
68.99777	0.8
69.03423	1.1
69.33546	6.2
73.02918	1.9
79.05484	1.0
81.03407	1.7
81.07058	1.1
81.39124	0.6
85.02908	2.0
91.05494	4.0
95.04961	1.6
97.02870	1.1
99.65604	0.6
105.07054	0.9
107.04942	2.9
109.02889	1.2
119.04961	10.0
121.02891	1.6
121.06526	1.3
123.04421	3.2
127.03958	1.4
147.04425	32.9
148.04793	0.8
149.06023	0.8
151.03941	1.5
153.01837	68.8
154.02179	0.8
161.05875	0.9
165.01935	1.5
167.07054	3.3
171.02887	2.9
181.04965	5.4
189.05489	0.9
194.01909	0.6
195.02876	1.5
201.05447	0.8
211.06908	0.6
229.05005	1.2
231.06514	0.9
233.08073	2.5
255.06610	0.8
257.04446	1.2
262.77759	0.6
273.07584	100.0
274.07898	1.8
288.40817	0.6
303.05017	36.8
304.05490	0.9
325.98709	0.7
387.14441	0.8
417.15259	1.8
435.09235	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	435.1499
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
53.03934	2.2
62.16087	1.6
69.03432	3.8
74.75201	1.6
79.01871	2.4
81.03426	4.7
81.11476	1.4
85.02911	5.9
85.06566	1.6
85.20048	1.5
87.70628	1.5
90.27162	1.6
97.02889	4.5
98.21124	13.1
106.02962	2.4
109.02865	4.3
117.51228	1.3
123.04407	2.2
125.02369	2.9
127.03926	9.9
143.03401	2.9
153.01839	100.0
171.02916	8.3
229.61055	1.6
247.78134	1.7
296.82388	1.4
297.06006	2.8
315.07120	10.5
340.49463	1.4
434.99637	1.9
435.14316	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	435.1496
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
69.03434	3.5
71.56750	2.0
79.01859	3.0
81.03419	4.2
85.02895	5.3
85.06527	2.3
97.02883	3.6
98.21404	1.2
107.01290	2.9
109.02889	3.9
123.04421	4.5
125.02366	4.0
127.03917	7.5
128.37015	1.2
129.10419	1.2
137.02359	1.4
143.03409	4.8
147.04480	1.6
153.01833	100.0
154.02116	1.5
154.05011	1.7
156.71704	1.4
161.20697	1.3
171.02904	11.0
172.06029	2.4
173.06320	3.0
297.06134	2.0
303.01474	2.2
303.05136	1.9
315.07242	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	435.056
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
52.89047	0.3
56.51371	0.3
57.03440	1.6
59.61012	0.3
61.02916	0.4
67.05495	0.7
69.03426	2.9
69.07046	0.4
71.16490	0.6
73.02924	5.3
77.03940	0.3
77.88702	0.3
79.05502	0.5
81.03404	0.4
85.02923	0.8
91.05490	0.4
92.82825	0.3
97.02901	2.8
103.05438	0.3
105.07046	2.0
106.07379	1.0
109.02915	0.6
115.03920	2.1
121.02851	0.7
123.04462	0.6
127.03873	0.5
137.02388	0.4
137.05980	0.9
145.05000	0.4
147.04417	1.1
151.07497	0.3
153.01820	0.6
163.03995	0.4
167.07092	1.0
169.01341	0.5
173.02367	1.2
175.03874	0.5
185.02386	0.5
191.03375	0.7
201.01871	3.0
203.03499	0.6
213.01804	0.8
217.01358	0.6
219.02934	0.4
229.01353	2.7
231.02888	0.9
233.08095	0.4
241.01288	0.9
247.02420	3.9
257.00833	11.1
259.02393	1.8
275.01865	10.4
285.00339	8.7
285.02802	0.2
303.01392	100.0
303.04861	6.0
304.01749	1.4
367.11786	0.4
435.05734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85075	1.2
55.01886	1.5
57.03427	3.2
69.98096	4.4
69.98503	2.2
71.01358	1.1
73.02924	2.7
82.59364	1.0
85.02924	2.4
86.86893	1.0
96.77015	1.2
98.20673	1.2
98.21232	3.3
101.85114	1.0
111.00820	1.5
130.77522	1.1
137.02341	4.3
153.01869	6.1
165.01852	2.0
183.02904	1.2
201.05452	2.3
229.05014	5.6
257.04495	3.2
303.05005	100.0
304.05432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.30015	0.3
54.82078	0.3
55.01868	1.7
55.05501	1.0
57.03422	1.2
58.09169	0.3
61.02935	2.1
65.03922	0.8
67.05489	0.5
68.99794	0.7
69.03418	1.2
70.86366	0.7
70.86705	0.4
71.01349	0.5
73.02921	12.8
79.05479	1.2
81.03401	0.7
81.07041	0.5
81.21674	0.3
82.06558	0.6
83.04972	0.4
83.08594	0.8
85.02908	1.7
88.52947	0.3
91.05476	0.8
93.03386	0.5
93.07023	0.4
95.04966	1.1
97.02879	1.0
98.21083	0.4
100.11250	2.4
103.05492	0.7
105.03411	0.4
105.07054	0.4
107.04963	1.7
109.02897	0.7
110.06033	0.5
111.00792	1.0
111.04441	0.7
115.03914	0.9
115.05448	0.5
117.07019	0.4
119.04918	0.5
121.02897	1.8
121.10188	0.3
123.04465	1.4
125.05913	0.3
126.94556	0.3
127.03903	0.7
128.07085	0.5
129.06938	0.5
131.04932	0.9
133.06468	0.5
135.04407	0.3
137.02344	9.1
137.03398	0.5
137.05969	1.7
142.02690	0.3
145.06491	1.1
147.04431	2.2
149.02338	1.3
153.01833	6.9
153.05490	0.3
154.08611	0.4
155.04845	0.4
157.06404	0.5
161.02309	0.5
161.05988	1.1
161.22188	0.3
163.03926	2.2
165.01859	3.4
165.05467	0.3
166.02592	0.6
167.07059	3.5
171.06531	0.4
172.05165	0.6
173.06010	0.9
175.03766	0.5
177.01886	0.6
177.05467	0.5
179.03340	0.5
181.04967	6.0
182.15398	1.3
183.02925	2.0
183.04356	0.4
187.03932	1.0
187.07527	0.4
189.01965	0.4
189.05476	0.6
191.03432	1.5
195.02917	1.7
200.04744	0.6
201.05487	2.7
203.03378	0.6
206.05630	0.5
209.16461	1.1
210.14931	1.8
215.03503	0.5
218.05756	0.7
219.02924	0.5
219.06528	0.4
221.08060	0.5
225.05421	0.4
226.19139	0.9
229.05000	5.3
231.02818	0.6
233.08067	4.0
245.04453	0.8
247.06168	1.0
249.03972	0.5
257.04517	3.0
261.03925	0.5
263.09174	0.9
273.04498	0.4
273.07584	2.2
274.04645	1.0
275.05542	0.4
285.04022	1.8
285.07251	0.4
285.11087	0.4
299.05389	1.5
302.04263	1.2
303.04999	100.0
304.05295	2.4
311.05527	0.8
313.07214	0.8
315.04977	15.3
315.08157	0.6
316.05646	1.3
325.07135	0.5
327.05054	4.1
329.06494	2.5
336.22836	0.9
339.05057	1.5
341.06506	2.5
345.06064	10.1
353.06580	2.5
357.06134	1.3
369.05994	7.3
369.10236	0.4
371.07693	0.4
375.07004	0.8
381.06024	2.8
387.14252	0.6
399.07089	12.0
399.12122	0.6
417.08133	7.4
417.15295	1.9
418.08459	0.4
435.09232	11.3
435.33429	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01880	7.5
57.03443	15.7
59.05001	2.5
61.02926	17.1
69.03430	37.2
70.06602	4.4
70.63934	3.4
70.64268	1.2
71.01347	2.8
71.04985	2.0
73.02921	75.7
75.04883	1.1
79.05505	2.3
81.03415	7.9
83.04990	1.7
85.02909	100.0
86.09730	2.1
87.04482	5.4
88.21749	1.1
91.03944	3.8
91.05467	1.5
93.07083	1.4
93.60960	1.4
96.69453	1.2
97.02895	51.6
98.20966	1.2
99.04447	5.2
103.03949	3.2
104.28405	1.7
105.07039	35.8
109.02897	9.0
109.06540	2.4
115.03931	26.9
116.07107	8.0
117.07500	1.5
119.08584	2.1
124.07618	1.8
125.02341	2.5
127.03915	35.0
133.04967	30.0
137.05943	2.3
139.03915	1.4
145.04973	46.7
146.05255	1.3
147.08032	4.0
150.07646	3.7
153.01828	3.5
155.81622	1.1
159.08012	1.7
163.06020	19.2
171.08107	1.7
173.09561	1.2
179.01796	1.1
189.09117	1.4
193.04889	2.1
201.09103	4.8
217.07172	1.4
217.88577	1.5
219.10220	4.6
223.06001	5.6
241.07124	4.4
244.65030	1.2
259.08212	8.2
277.09158	1.9
285.00198	1.4
285.13382	4.3
295.10159	3.6
302.15829	1.4
303.01364	11.5
303.04645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
57.03185	2.2
57.03440	29.1
57.29186	1.5
59.04987	4.9
60.04523	3.1
61.02920	5.2
64.24123	1.3
69.03433	89.7
69.92858	5.6
71.41743	1.2
73.02914	3.9
75.04494	1.8
81.03408	6.5
85.02909	100.0
87.04473	61.5
87.04919	0.9
87.05025	1.5
91.03947	4.7
95.04960	1.3
96.04471	1.4
97.02899	74.8
98.20844	1.7
98.21347	2.2
99.04438	2.7
101.67392	1.4
105.07056	11.4
109.02853	5.5
111.04419	2.6
115.03939	98.4
119.08601	2.0
120.05622	6.8
125.02332	1.7
126.05536	2.3
127.03909	18.2
131.08514	2.2
133.04974	95.6
134.05299	1.7
137.05983	2.3
145.04965	33.5
147.08069	3.5
150.07651	14.2
150.94450	1.3
153.01843	5.1
161.05965	2.7
163.06017	12.3
163.07437	2.9
165.09079	2.0
169.04958	3.2
171.08066	2.1
178.33380	1.5
181.04987	2.2
182.62982	1.5
189.09190	3.9
191.10612	1.4
195.02812	2.1
201.09158	2.7
207.10158	1.9
209.11726	8.3
217.07022	1.6
219.10182	3.6
223.05930	1.6
237.11194	5.5
241.07094	3.1
255.12294	2.5
259.08182	4.3
269.06531	1.9
277.09158	3.3
284.09753	1.5
285.13345	2.1
295.10236	3.7
303.01300	5.7
364.23212	1.5
451.18182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01856	1.6
57.03430	4.4
60.18919	0.8
61.02906	2.5
69.03429	7.3
70.06584	0.8
70.70358	0.9
70.70705	2.3
71.55259	0.7
73.02917	18.5
79.05476	3.5
81.03412	1.4
83.74528	0.8
85.02428	0.9
85.02907	15.5
85.06536	1.7
91.03945	1.1
91.05471	2.3
95.04971	1.5
97.02908	12.1
98.20974	0.8
98.77611	0.7
99.04425	1.6
103.03931	0.9
103.05470	3.6
105.07033	100.0
106.07404	1.2
107.04940	1.1
109.02879	2.2
114.03778	2.1
115.03934	5.3
116.01670	1.1
117.07014	1.4
124.07586	1.1
125.15465	0.9
126.05618	0.9
127.03913	8.5
127.07542	1.5
129.06999	1.7
131.08554	0.9
132.06638	0.9
133.04955	7.8
137.02301	2.6
137.05968	6.8
138.02644	1.1
141.07022	1.3
145.04941	10.8
145.06470	1.9
147.04399	0.9
147.08043	1.6
153.01823	1.5
162.69006	0.7
163.05998	3.5
167.07022	1.2
170.06294	1.6
171.07970	1.3
181.04973	1.8
182.05363	1.2
183.07990	1.0
201.01805	1.4
219.10159	1.5
223.06059	1.4
229.01158	1.2
247.02429	1.7
249.11046	1.0
257.00888	4.6
259.02472	1.1
259.08167	3.2
265.69714	0.7
273.08878	2.3
275.01834	4.5
277.09274	0.9
285.00430	4.0
285.03122	0.9
295.10123	2.5
303.01364	41.1
434.11356	1.3
434.17334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3314
Annotation	trans-Caffeic acid stearyl ester
Peak:m/z	Relative Intensity
55.05520	8.0
57.07081	25.8
59.04989	3.5
67.05513	8.4
69.03435	2.3
69.07072	10.0
70.14634	1.2
71.05006	1.7
79.05487	6.1
81.07060	13.5
83.01350	2.6
83.04977	2.2
83.08623	4.0
85.06544	21.6
91.05481	5.7
93.07045	9.1
94.07388	1.1
95.04990	1.5
95.08608	11.1
97.06496	1.9
97.10169	2.0
105.07061	6.9
107.04939	3.4
107.08582	8.0
109.06520	4.3
109.10160	9.4
111.08086	2.7
117.06980	2.4
119.08591	9.7
121.06522	1.8
121.10174	7.1
123.08074	2.3
123.11711	4.4
123.59080	1.3
125.06001	29.4
125.09640	6.7
129.07043	1.5
131.08598	2.6
133.10146	3.8
135.08052	2.2
135.11656	2.5
137.09618	2.5
137.13336	1.8
139.07591	3.0
141.05437	2.0
142.07799	1.3
143.08537	2.0
145.10121	4.4
147.11699	3.6
149.09601	2.0
151.07552	1.9
151.11179	3.6
153.05481	10.6
153.09100	2.2
157.10132	2.9
159.11749	2.1
163.11256	2.6
167.10712	2.1
171.11743	1.4
173.13287	1.9
177.12817	1.4
181.12294	1.5
185.13110	1.4
187.11447	1.3
209.13358	1.6
230.24745	1.8
305.71695	1.4
349.27463	3.3
405.33853	6.1
415.31894	8.7
433.33157	100.0
434.33429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3314
Annotation	trans-Caffeic acid stearyl ester
Peak:m/z	Relative Intensity
53.03962	0.7
53.07903	0.6
55.04636	0.6
55.05510	5.9
57.03419	1.0
57.07078	31.2
57.32814	0.6
64.79680	0.6
67.05518	6.3
69.07069	9.3
71.04980	0.9
71.08640	0.8
79.05502	3.3
81.07066	11.2
83.01334	1.2
83.04976	1.5
83.08652	3.2
83.09043	0.6
85.06550	20.3
91.05476	2.0
93.07043	5.8
95.04998	0.7
95.08611	9.6
97.06506	1.7
97.10166	2.5
98.21309	3.4
99.08120	0.7
105.07042	3.5
107.04975	2.6
107.08589	6.0
109.06505	3.0
109.10162	5.5
111.08078	0.7
111.11666	1.1
113.06010	0.8
115.44525	0.8
117.07011	0.7
119.08601	3.2
121.06519	0.6
121.10147	4.0
123.08090	1.8
123.11710	3.4
125.06000	33.5
126.06754	1.3
131.08542	1.9
133.10126	3.1
135.08110	0.9
135.11771	2.9
135.12552	0.6
137.06007	0.9
137.13281	1.8
139.07567	1.6
141.05411	1.4
143.08556	1.1
145.10107	1.8
147.08011	0.8
147.11678	1.7
149.09602	1.8
149.13284	2.3
150.84587	0.6
151.07552	1.2
151.11177	1.2
153.05479	12.8
154.06250	0.6
155.06979	0.9
157.05023	1.0
157.10115	1.0
159.08165	0.7
159.11674	2.2
161.09645	0.8
161.13283	1.2
163.07573	1.4
163.11208	1.8
163.14861	1.0
165.09070	1.1
167.07091	2.4
170.74451	0.7
173.13258	1.4
175.14850	1.1
177.09077	1.6
177.12776	1.0
181.05017	0.8
181.12312	0.8
191.10738	1.0
193.12279	0.7
209.11661	1.1
243.51437	0.6
279.19611	0.7
331.30417	0.8
349.27386	2.7
359.15002	0.7
373.31195	1.2
387.32547	2.3
397.31192	1.1
405.33698	6.3
415.32251	5.2
433.33145	100.0
434.33215	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	433.3314
Annotation	Neogitogenin
Peak:m/z	Relative Intensity
55.05518	12.0
57.07080	95.9
61.16130	1.8
61.49037	1.7
66.13583	1.7
67.01819	1.8
67.05511	11.4
69.03070	2.7
69.03431	35.2
69.07067	16.1
69.40527	8.4
69.40947	6.9
71.08633	2.6
79.05490	8.2
81.07063	20.6
83.01360	12.4
83.04969	1.9
83.08610	9.0
85.06548	57.3
91.05482	3.8
93.07043	7.0
95.08614	20.1
97.06526	24.6
97.10147	3.3
98.21233	7.7
101.02348	3.1
105.07014	4.6
107.04945	2.4
107.08595	6.7
109.06524	3.0
109.10181	10.9
111.11767	2.3
113.06070	2.7
119.08601	4.3
121.10137	6.2
123.11710	9.0
125.06002	69.7
131.08556	2.0
133.10091	2.8
135.08025	3.7
135.11702	2.8
137.09642	2.6
137.13254	6.7
139.03893	4.5
141.05475	8.3
145.10139	3.1
149.13182	1.8
151.14845	2.8
153.05482	100.0
154.53450	1.8
159.11658	3.2
163.07568	2.8
163.11224	3.4
164.13220	2.0
167.07082	7.3
171.06551	2.8
177.09129	6.3
178.94284	2.1
181.04979	2.5
181.08713	2.4
189.09099	2.6
189.12756	1.9
191.10687	7.2
193.12308	3.9
205.12236	5.9
259.17065	2.0
281.17392	4.4
283.26355	6.3
295.19208	2.2
315.23111	2.0
331.26334	4.7
349.27402	12.4
359.25842	2.8
415.27341	2.0
415.32153	24.4
433.33151	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	trans-Caffeic acid stearyl ester
Peak:m/z	Relative Intensity
53.03946	0.9
55.01873	4.6
55.05502	2.9
57.07077	21.5
67.05509	3.6
69.07067	5.4
70.84026	0.9
70.84364	1.1
79.05482	3.4
81.07061	6.1
82.63264	0.8
83.01343	12.6
83.04986	1.2
83.08618	2.1
85.06061	1.1
85.06549	13.2
91.05487	1.1
93.07048	2.8
94.35566	0.6
95.04922	0.8
95.08597	4.6
97.02895	6.2
97.06522	1.5
97.10171	0.9
98.21229	0.8
105.07027	1.2
107.04953	4.5
107.08594	2.5
109.06507	1.3
109.10173	3.4
111.04440	0.8
111.11770	0.6
115.03933	2.6
119.08591	1.6
121.10149	2.3
123.11707	2.2
125.05988	22.5
131.08571	1.0
133.10152	1.5
135.11644	0.9
137.05986	0.8
137.13234	1.0
139.07573	0.7
141.05461	4.0
145.10162	0.7
149.09647	1.3
149.13287	1.1
151.07565	0.8
153.05470	22.7
153.09084	0.8
155.07013	2.7
159.11670	1.1
163.11203	1.2
163.14822	0.9
167.07063	4.7
167.10722	0.7
171.06531	0.9
177.12657	0.7
179.10759	0.8
181.04956	13.7
181.06500	1.0
181.08533	1.0
182.05289	0.8
186.06903	0.6
195.10172	1.1
209.08171	0.7
333.24197	0.7
349.27438	3.1
387.32489	1.4
404.19763	0.6
405.20950	0.7
405.33585	3.6
415.32898	2.8
433.33133	100.0
434.33469	3.4
443.68970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
53.03935	2.2
55.01875	1.8
55.05305	1.3
55.05514	14.2
57.03433	4.2
57.07076	100.0
65.03922	1.9
66.45013	1.3
67.05503	14.2
69.03421	2.5
69.07068	19.3
69.79810	9.2
71.04994	2.9
71.08640	2.6
79.05492	13.4
81.07063	30.9
82.77554	1.5
83.01308	3.5
83.04976	4.6
83.08633	7.8
83.98474	1.4
85.06542	64.5
91.05477	7.7
93.07060	18.2
95.05029	3.7
95.08053	2.3
95.08614	24.7
97.06523	3.6
97.10177	7.0
98.21214	5.2
99.08075	2.7
105.07026	11.5
107.04932	7.1
107.08595	14.4
109.06524	7.0
109.10154	15.3
111.04443	5.4
111.08081	3.0
111.11684	1.8
114.15458	1.5
117.07014	4.4
119.08581	14.8
121.06520	2.7
121.10171	9.7
123.04412	2.5
123.08062	4.6
123.11701	11.0
125.05994	92.4
125.09622	2.7
125.13265	2.0
127.11231	1.6
131.08574	5.7
133.06494	1.9
133.10158	8.6
135.08063	2.7
135.11694	7.4
137.05998	3.5
137.13292	3.7
139.07533	5.2
141.05489	8.2
141.12794	1.8
143.08569	2.6
145.06491	2.0
145.10080	8.7
147.08026	2.9
147.11702	6.7
149.09634	5.7
149.13240	5.0
151.07562	3.4
153.05466	60.0
155.07098	3.8
157.10121	3.5
159.08040	2.2
159.11664	7.8
161.09641	5.5
161.13229	4.6
163.07573	6.4
163.11150	4.1
165.09138	4.3
167.07022	8.1
167.10693	2.4
169.10074	2.2
173.09622	5.3
173.13303	4.0
175.07521	2.1
175.11186	1.8
175.14726	1.7
177.09148	7.1
177.12735	3.0
179.10640	2.5
187.11209	6.2
187.14841	1.6
191.10704	5.3
193.12306	1.7
195.10164	3.7
197.13254	1.7
197.43448	1.5
201.12718	2.1
203.18034	1.6
205.12376	3.5
209.11688	3.3
217.12482	1.4
221.11810	1.8
223.13348	2.1
249.18668	1.6
259.17035	1.9
273.18802	1.6
281.17688	2.5
293.21182	2.2
295.18988	3.8
331.26346	5.9
340.97818	1.5
341.21127	1.6
345.47043	1.5
349.27490	11.7
359.25681	2.5
373.31131	2.9
387.32706	7.8
397.31073	4.5
405.33624	9.1
415.32117	49.5
433.33148	99.6
434.33429	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	433.3312
Annotation	trans-Caffeic acid stearyl ester
Peak:m/z	Relative Intensity
55.01867	1.7
55.05515	6.9
57.03423	0.8
57.07077	31.0
58.16957	0.5
67.05510	7.6
68.05850	0.7
69.03425	0.7
69.07069	9.5
69.35653	0.5
70.05763	2.9
71.08630	1.1
73.88797	0.5
79.05488	6.2
81.07062	13.0
81.53824	0.5
82.07429	0.7
83.01342	6.0
83.04996	1.4
83.08608	4.7
85.06549	18.8
85.10133	0.8
86.09705	1.8
91.05473	2.5
93.07043	6.2
95.04966	1.6
95.08610	10.9
97.02885	2.0
97.06534	2.3
97.10178	3.0
98.20808	0.7
98.21342	1.1
105.07035	3.1
107.04944	3.3
107.08580	5.3
109.06522	2.9
109.10170	6.2
111.04437	1.6
111.08122	1.2
111.11707	1.1
113.06005	0.8
115.03942	1.4
117.07018	0.9
119.08588	3.8
121.06477	0.9
121.10151	4.0
123.08095	1.5
123.11740	3.7
125.05994	30.3
126.06776	1.2
127.11194	0.8
131.08630	0.9
133.10127	2.7
135.08031	1.1
135.11703	3.3
137.05980	3.1
137.09573	0.8
137.13257	1.7
139.07571	1.4
139.11198	0.6
141.05464	3.9
145.10114	2.2
147.08067	0.7
147.11655	1.7
149.05997	0.7
149.09627	1.1
149.13246	1.7
151.07538	1.5
151.11186	0.7
151.14825	0.8
153.05466	27.5
153.09055	1.0
154.06134	0.7
155.07047	9.6
156.07394	1.0
159.11688	2.5
161.09683	1.1
161.13234	1.1
163.07515	0.9
163.11195	1.6
163.14955	0.6
165.09178	1.0
167.07043	4.9
167.10753	0.8
173.13301	0.9
175.11142	1.2
177.09142	2.2
177.12775	1.4
179.10614	0.7
179.17873	0.6
181.04980	6.7
182.05315	4.4
183.05386	4.0
187.11359	0.6
187.14771	0.8
191.10696	1.6
195.10226	0.9
205.12375	0.9
209.08165	0.6
209.11739	1.2
259.17084	0.8
261.22076	1.3
279.23053	0.9
321.27917	1.3
331.26355	1.3
349.27313	3.8
373.30930	1.3
387.32590	1.9
405.33612	4.1
415.27438	0.8
415.32178	5.0
433.33130	100.0
434.33279	3.8
447.18063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01863	1.5
55.05517	8.6
57.07067	2.1
61.67431	0.8
65.03924	1.4
67.05166	1.5
67.05506	20.6
69.03430	1.5
69.07075	8.3
70.63408	2.3
70.63763	1.4
71.08627	1.3
72.66286	0.9
79.05505	7.3
81.07063	21.9
83.01337	3.4
83.04982	1.7
83.08614	4.1
90.05174	1.0
91.05490	4.6
93.07040	9.6
95.04942	1.8
95.08037	1.8
95.08611	18.2
97.02892	0.9
97.06540	2.0
97.10169	2.7
105.07050	3.5
107.04975	1.8
107.08595	5.6
109.06477	2.5
109.10131	5.4
111.04425	1.9
119.08560	3.2
121.06548	1.5
121.10135	3.9
123.11674	2.9
125.05994	3.3
125.91346	1.0
129.05423	1.0
131.08580	3.6
133.10133	3.8
135.08101	1.2
135.11700	2.1
137.02333	2.3
137.05977	2.6
137.13164	1.1
139.07462	1.1
145.10118	1.9
147.08061	1.1
147.11676	1.5
149.06036	1.7
149.09689	1.3
149.13274	1.9
151.03854	1.4
151.07570	2.0
151.14815	1.0
153.05452	7.0
155.07077	5.4
159.11720	1.4
160.59833	1.0
161.13277	1.1
163.07590	1.9
163.14809	1.4
165.05481	3.4
167.07051	9.9
175.07559	1.3
177.09093	1.5
179.03397	3.2
179.07031	2.3
181.04967	26.5
191.07042	4.2
197.04449	2.5
207.06535	2.8
209.08078	2.1
217.08623	1.0
227.11002	1.1
243.21010	3.0
261.22220	3.8
275.14899	1.2
278.90152	0.9
324.15063	1.4
331.26263	1.7
355.26312	1.1
362.15753	1.3
369.27637	1.8
372.14462	1.1
373.14667	2.1
373.27179	1.3
374.15094	3.1
375.15759	3.6
376.17145	1.0
386.15668	1.1
387.16205	4.0
387.29022	1.6
388.16846	6.2
389.17551	8.9
390.18179	4.9
397.27542	4.5
401.17905	2.2
402.18204	3.5
403.14880	1.8
403.19263	19.5
404.15482	1.1
404.19791	9.0
405.20679	9.1
415.28445	10.0
417.15833	1.8
417.17239	2.0
417.21176	8.7
418.17065	4.8
418.21872	15.2
419.22369	1.1
432.18863	2.8
433.19287	32.1
433.23828	100.0
434.24893	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	433.295
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
55.01887	3.1
55.05511	16.6
55.15533	3.3
57.03432	3.6
57.07086	15.5
58.81006	2.7
67.05167	5.3
67.05505	82.0
69.03397	2.9
69.07069	19.0
69.34614	27.9
70.04842	2.9
76.68858	3.1
79.05482	27.4
81.06573	4.9
81.07053	93.5
83.01347	16.9
83.04996	4.1
83.08609	7.3
85.06544	8.9
91.05462	14.2
93.07040	26.8
95.04968	4.2
95.08607	65.6
97.06507	6.7
97.10152	5.2
97.29138	2.9
98.21143	13.5
99.08150	3.1
101.19521	2.8
105.07037	8.7
107.08611	16.9
109.06522	13.5
109.10166	38.3
111.04435	3.5
117.07008	6.2
119.08596	13.7
121.06474	5.5
121.10120	17.2
123.04386	3.7
123.11678	20.2
125.05985	9.4
131.08568	6.5
133.10132	8.8
135.08109	4.0
135.11685	11.8
137.05989	29.0
137.13231	8.4
145.10158	9.3
147.08005	5.1
147.11687	7.0
149.09599	3.2
149.13264	9.9
150.06740	3.4
151.07574	8.7
153.05463	16.6
155.07031	78.8
159.11720	8.9
161.06000	5.0
161.13272	7.0
163.14790	4.0
165.05479	4.1
165.09161	6.3
167.07045	65.6
169.81540	3.4
173.13226	3.4
181.04979	100.0
181.08481	5.7
184.03563	4.0
184.49115	3.0
191.07118	4.1
193.08582	8.9
209.08035	7.1
217.19635	4.4
243.21173	6.9
261.22125	26.7
298.43378	3.4
331.26147	5.2
335.22031	3.2
335.93552	2.9
415.27762	5.6
415.32489	4.7
433.33331	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	433.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.1
55.05511	16.6
55.15533	3.3
57.03432	3.6
57.07086	15.5
58.81006	2.7
67.05167	5.3
67.05505	82.0
69.03397	2.9
69.07069	19.0
69.34614	27.9
70.04842	2.9
76.68858	3.1
79.05482	27.4
81.06573	4.9
81.07053	93.5
83.01347	16.9
83.04996	4.1
83.08609	7.3
85.06544	8.9
91.05462	14.2
93.07040	26.8
95.04968	4.2
95.08607	65.6
97.06507	6.7
97.10152	5.2
97.29138	2.9
98.21143	13.5
99.08150	3.1
101.19521	2.8
105.07037	8.7
107.08611	16.9
109.06522	13.5
109.10166	38.3
111.04435	3.5
117.07008	6.2
119.08596	13.7
121.06474	5.5
121.10120	17.2
123.04386	3.7
123.11678	20.2
125.05985	9.4
131.08568	6.5
133.10132	8.8
135.08109	4.0
135.11685	11.8
137.05989	29.0
137.13231	8.4
145.10158	9.3
147.08005	5.1
147.11687	7.0
149.09599	3.2
149.13264	9.9
150.06740	3.4
151.07574	8.7
153.05463	16.6
155.07031	78.8
159.11720	8.9
161.06000	5.0
161.13272	7.0
163.14790	4.0
165.05479	4.1
165.09161	6.3
167.07045	65.6
169.81540	3.4
173.13226	3.4
181.04979	100.0
181.08481	5.7
184.03563	4.0
184.49115	3.0
191.07118	4.1
193.08582	8.9
209.08035	7.1
217.19635	4.4
243.21173	6.9
261.22125	26.7
298.43378	3.4
331.26147	5.2
335.22031	3.2
335.93552	2.9
415.27762	5.6
415.32489	4.7
433.33331	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	433.2954
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
53.03934	2.9
55.01878	9.0
55.05517	16.3
57.03436	3.4
57.07080	17.2
65.03946	1.9
67.05503	35.7
69.03426	2.4
69.06785	2.1
69.07077	28.8
71.01348	2.3
71.04982	3.9
71.08624	7.7
71.10140	2.2
71.10490	3.8
79.05489	19.3
81.07059	46.8
83.01335	3.8
83.04970	7.0
83.08625	13.4
85.06543	7.2
88.38734	1.5
91.05476	9.5
93.07043	22.8
95.04960	3.7
95.08604	36.9
97.06511	5.4
97.10171	5.7
98.21111	2.7
99.08073	4.9
105.07069	9.3
107.04988	2.9
107.08592	15.3
109.06506	10.0
109.10171	20.7
111.08091	4.2
117.07065	3.2
119.08582	6.4
121.10143	14.6
123.08095	2.7
123.11704	9.7
125.05981	5.3
125.09620	2.5
131.08560	4.3
133.10175	4.2
135.08054	4.5
135.11723	13.9
137.05988	42.7
137.13220	5.1
141.12712	2.6
145.10152	4.9
147.11713	5.3
149.09615	4.4
149.13260	6.1
151.07486	6.4
151.14789	2.0
153.05463	10.7
153.09073	2.1
153.12668	10.6
154.05722	2.1
155.07039	100.0
159.11748	2.0
161.13231	3.5
163.14775	2.8
165.09042	2.5
165.12743	4.0
167.07072	9.0
173.11807	3.5
173.13280	5.0
175.14690	2.8
177.09094	6.1
178.09465	2.5
179.03378	1.9
181.04955	15.9
183.13768	13.7
187.14838	2.1
191.10696	2.1
219.20874	2.3
233.22668	6.2
239.26096	1.9
243.21028	5.2
251.23708	4.3
261.22125	12.9
279.23203	30.2
415.32135	3.5
433.33383	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.295
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
55.05503	12.0
57.07074	4.3
67.05508	62.2
69.07055	5.1
79.05499	16.1
81.07058	67.2
83.08576	4.2
83.39362	4.0
83.87759	2.9
91.05482	10.5
93.07042	14.8
95.04917	4.2
95.08611	44.9
98.20929	18.8
98.21611	6.2
99.67062	3.6
105.87684	3.4
107.08606	9.1
109.10159	16.8
119.08550	5.5
121.10194	7.4
123.11710	9.9
125.05921	3.5
131.08553	7.4
133.10115	5.4
135.11644	6.0
137.05954	5.9
137.13284	4.4
142.80090	3.1
149.13278	5.6
151.07469	3.9
153.05489	3.7
155.07031	45.3
167.07030	22.5
173.13164	5.2
181.04970	100.0
191.07047	3.6
193.08635	6.7
204.60045	3.4
209.08102	7.8
217.19557	5.2
243.21046	7.3
261.22076	21.5
278.24802	3.6
294.55563	3.9
321.57568	3.5
370.75076	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01876	13.7
55.05257	3.2
55.05509	41.3
57.03423	8.7
61.68256	2.1
62.48180	2.5
65.03915	4.4
67.05169	3.4
67.05505	55.6
69.03414	10.0
69.07075	16.2
69.29016	4.6
69.29420	18.7
71.05019	5.7
79.05051	4.8
79.05494	67.0
81.03399	10.5
81.06580	3.4
81.07055	50.8
83.04974	13.2
83.08620	20.7
85.06532	4.9
86.48701	2.4
91.04964	4.0
91.05484	54.5
93.07046	42.4
95.04966	35.2
95.08602	24.2
97.06522	11.2
97.10175	22.6
98.20695	4.5
98.21375	8.8
99.04443	4.7
103.05453	5.5
105.07029	44.5
107.04942	23.7
107.08591	29.9
108.05273	2.9
109.06493	11.1
109.10145	11.4
110.60271	2.4
111.04415	2.4
111.08083	6.7
115.05501	3.2
117.07011	25.5
119.04902	2.6
119.08578	24.9
121.06523	21.0
121.10146	19.4
123.04445	3.6
123.08044	10.7
124.09364	2.6
125.09620	19.0
127.03876	6.7
128.06218	6.3
129.07013	33.5
131.04909	13.0
131.08569	39.3
133.06480	11.8
133.10123	13.3
135.08041	10.8
135.11667	5.4
137.05980	3.7
137.09517	2.4
139.03981	2.4
141.05391	3.2
141.07002	13.6
142.07753	3.3
143.08569	22.1
145.06483	24.8
145.10112	22.1
147.08003	13.2
147.11711	13.2
149.09631	24.9
153.01819	12.0
153.05458	7.4
155.07321	2.4
155.08521	14.8
157.06485	4.2
157.10081	11.4
159.08107	11.6
159.11682	10.1
161.09573	6.6
161.13229	7.8
163.03896	2.5
163.11171	7.8
167.08589	7.3
169.10141	15.9
171.08081	5.3
171.11693	22.2
173.09589	10.8
173.13287	5.5
175.11160	6.5
177.12761	3.0
181.04967	6.2
181.10121	5.9
183.11690	9.9
185.09647	6.5
185.13208	7.6
187.11140	10.5
189.09225	4.1
189.11191	10.9
189.12775	16.2
193.10381	2.4
193.12167	5.1
195.11745	4.6
197.09575	3.0
197.13261	3.8
199.11133	5.2
199.14861	3.4
201.12885	3.5
205.12207	3.5
207.06448	2.5
207.11781	3.9
207.13763	2.5
209.13306	3.2
211.11188	5.8
213.12698	4.5
215.10516	3.0
215.14305	2.9
219.13844	2.5
221.13416	3.3
223.13278	6.2
225.12711	2.8
227.12727	7.7
229.12279	6.7
229.15828	3.3
231.13786	3.9
243.13853	3.6
249.14845	4.3
257.15387	4.7
261.14856	3.3
273.14893	3.6
289.17935	3.5
313.21674	9.1
323.20068	25.8
341.21146	100.0
341.24805	7.6
359.22086	10.5
359.26108	3.4
397.23868	3.3
415.24548	34.4
433.25537	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03936	4.0
53.41071	1.1
54.58408	1.2
55.01887	9.7
55.05258	2.5
55.05511	29.9
57.03444	7.2
60.32663	1.2
65.03929	3.2
67.05507	37.2
69.03419	4.0
69.07079	11.3
69.92286	6.0
71.04979	2.6
75.50699	1.3
79.05492	47.4
81.03413	8.0
81.07059	31.9
83.04979	6.3
83.08625	12.7
85.06525	2.8
91.05483	38.0
91.06070	1.8
93.07050	33.0
95.04974	35.3
95.08599	18.5
97.06535	4.4
97.10176	19.9
98.21004	3.5
103.05444	2.7
105.07031	29.1
107.04954	13.6
107.08595	22.3
109.06514	5.7
109.10187	8.7
111.08081	2.0
115.05444	4.0
117.07010	16.8
119.04954	4.0
119.08576	13.7
120.05750	1.4
121.06502	14.7
121.10145	15.7
123.08071	7.9
123.11655	1.9
125.09621	17.8
128.06241	4.9
129.05518	2.0
129.07008	23.6
131.04915	12.0
131.08577	25.8
133.06503	9.3
133.10103	6.5
135.04401	1.4
135.08067	8.0
135.11723	2.2
137.09671	1.3
141.06989	6.9
143.08571	14.4
144.05675	1.4
145.06502	22.9
145.10129	12.4
147.08037	6.1
147.11702	2.6
149.09619	23.5
153.06966	2.4
153.09100	1.8
155.08543	10.0
157.06511	4.3
157.10156	6.4
159.08044	9.1
159.11696	9.3
161.09567	3.9
161.13222	2.8
163.11235	4.5
167.08603	4.4
167.13741	1.5
168.09389	1.7
169.10135	10.8
171.08084	4.8
171.10300	2.2
171.11697	18.3
173.09618	7.6
175.11186	4.4
177.09167	2.3
177.12785	1.7
179.08591	2.8
181.10156	4.1
183.11757	4.7
185.09689	5.4
185.13246	4.8
187.11174	11.1
189.09187	3.7
189.11223	10.8
189.12779	12.0
193.12209	2.4
195.11723	5.0
197.09653	4.8
197.13293	2.8
199.11166	3.3
201.12747	4.1
203.10840	1.8
203.14372	1.5
205.12231	7.1
207.11688	2.1
207.13670	1.7
211.11218	6.1
213.12830	2.2
215.10738	3.2
221.13383	2.4
223.11403	1.7
223.13368	5.3
225.12753	4.2
227.12805	4.6
229.12320	4.0
231.13826	3.1
239.14380	3.3
243.13869	3.9
247.13313	2.6
249.14911	3.9
257.15353	3.6
261.14935	1.5
267.15952	5.6
273.14810	2.7
275.16339	1.5
277.19525	1.4
295.20477	1.5
305.19064	2.3
313.21463	7.7
323.20078	22.9
331.22510	1.9
335.18427	1.6
341.21124	100.0
342.21460	3.1
359.22180	9.9
377.23178	2.5
415.19244	2.3
415.24738	38.6
433.25879	76.4
434.26053	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19860	1.6
53.03932	4.6
55.01873	10.5
55.05259	2.1
55.05513	32.6
57.03438	9.0
57.07062	3.9
59.04985	1.2
65.03924	5.4
67.05509	50.5
69.03440	9.5
69.07068	19.9
69.69222	1.3
71.04981	4.3
71.09967	2.3
71.10292	2.1
79.05061	2.6
79.05498	49.3
81.03416	10.6
81.07061	48.4
83.04990	10.0
83.08623	14.1
83.70451	1.4
85.02919	1.7
85.06522	3.9
85.18419	1.3
91.05484	44.0
93.07053	41.5
95.04971	36.3
95.08045	2.2
95.08612	32.9
97.06535	7.6
97.10173	22.7
98.21214	1.7
99.04443	2.1
99.08094	2.9
103.05437	3.4
105.03407	2.7
105.07036	45.9
107.04968	18.6
107.08596	37.8
109.02861	2.2
109.06516	9.4
109.10159	19.0
111.04436	2.7
111.08060	1.8
115.05441	5.0
117.07018	18.1
119.04915	4.4
119.08585	38.0
121.06512	19.5
121.10144	22.2
123.04444	2.3
123.08092	9.0
123.11690	4.8
125.05983	3.7
125.09644	20.4
127.03901	2.2
128.06201	5.4
129.05536	2.5
129.07007	24.4
131.04916	12.0
131.08575	33.9
133.06493	9.3
133.10127	22.1
135.04440	3.5
135.08061	12.3
135.11684	7.3
137.05957	5.1
137.09624	2.8
137.13263	1.9
139.03894	2.1
139.07509	2.0
141.06973	9.2
142.07762	5.5
143.08583	20.3
144.05710	1.6
144.09308	2.2
145.06482	23.5
145.10139	35.2
147.04375	1.7
147.08060	9.2
147.11671	11.6
149.05934	1.5
149.08514	2.4
149.09619	24.1
149.13271	4.8
151.07523	3.0
153.01860	1.4
153.07016	2.5
153.09055	2.8
153.12804	1.8
154.07716	2.4
155.08562	11.7
156.09323	4.7
157.06522	3.3
157.10141	20.3
158.10945	2.0
159.08084	8.8
159.11703	20.7
161.06003	2.2
161.09636	6.7
161.13304	7.8
163.07512	1.9
163.11166	6.9
163.14882	3.5
165.07060	1.7
165.09048	2.4
167.07106	2.6
167.08507	5.0
168.09346	2.8
169.10156	19.9
170.10956	2.1
171.08028	5.3
171.10234	3.2
171.11674	29.0
172.12489	2.4
173.09570	8.1
173.13254	9.7
175.11226	3.2
175.14818	9.4
177.12776	3.7
179.08551	2.2
179.10649	3.3
180.09254	1.7
181.04965	4.4
181.06468	1.6
181.10088	4.3
182.10886	2.1
183.10182	2.0
183.11676	13.3
184.12358	2.5
185.09628	5.6
185.11797	1.9
185.13286	10.1
187.11165	8.4
187.14836	19.7
189.09109	2.2
189.11197	9.6
189.12766	15.1
189.16397	4.0
191.10663	2.3
193.10152	1.8
193.12244	3.6
195.11697	5.8
197.09589	4.6
197.13354	7.6
199.11194	5.1
199.14847	20.9
201.12798	2.7
201.16371	11.2
203.10655	3.2
203.14346	2.7
203.18022	2.0
205.12250	9.5
207.11769	1.6
207.13930	1.6
209.13232	2.9
211.11276	7.1
211.14789	3.9
213.12769	4.9
213.16376	7.8
215.10704	3.0
215.14363	2.7
215.17792	1.8
221.11513	1.8
221.13414	3.1
223.13287	5.2
225.12650	4.2
225.16261	3.7
227.10773	1.7
227.12766	5.5
227.14665	1.8
227.17897	2.4
229.12236	5.0
229.15819	1.8
231.13795	3.0
232.81111	1.3
233.15405	2.2
237.12651	2.1
239.17902	2.3
241.19370	1.8
243.13789	4.8
247.16988	2.8
249.14771	2.0
253.19493	1.4
257.15292	4.4
259.16873	1.9
265.19553	2.0
267.15848	3.0
267.21036	1.6
272.06119	1.5
273.14935	3.6
273.18442	1.4
277.19318	1.8
295.20578	3.3
305.18994	2.0
313.21643	8.0
321.16995	3.0
323.20096	26.1
341.21136	100.0
359.22256	10.1
379.22794	1.8
387.30426	8.2
397.31207	1.8
405.31668	2.8
415.09821	2.7
415.24823	40.8
433.11050	2.1
433.25739	75.0
433.31049	28.4
434.26147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25619	0.6
53.03948	1.5
53.22689	0.6
55.05518	0.9
57.03438	1.3
57.07093	0.7
69.03434	3.3
69.33831	1.4
69.34237	4.2
71.04996	0.9
74.26582	0.6
79.01846	3.6
81.03419	5.6
81.07061	1.8
83.08630	0.8
85.02482	0.6
85.02908	5.1
87.04478	1.0
93.07036	1.0
95.02449	1.6
97.02924	4.0
97.06475	0.9
98.21440	1.4
99.04487	0.9
101.09637	1.4
105.07067	0.7
107.01323	1.9
109.02878	5.5
109.06557	0.7
113.03481	4.2
115.04011	1.3
121.10098	0.8
122.52814	0.6
125.02374	3.7
127.03924	7.5
133.04979	1.0
136.07555	0.7
137.05934	0.8
143.03386	4.5
145.04958	1.2
153.01840	100.0
153.02821	4.1
154.02136	0.9
164.33698	0.7
167.07098	1.1
171.02888	9.0
171.04225	0.8
188.25519	0.6
191.08197	1.6
229.11899	2.4
236.33261	0.8
242.52296	0.6
243.13467	4.4
254.08688	0.8
297.05997	3.3
307.12991	0.9
315.07101	7.6
415.15161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05496	1.5
57.07063	1.5
62.81139	0.5
67.05505	4.8
69.03431	0.7
69.07082	3.6
70.76514	0.7
70.76856	1.1
79.05501	2.7
81.07068	4.3
82.07402	0.6
83.08604	1.8
85.06531	0.6
87.82904	0.4
91.05491	1.0
93.07065	2.4
95.04920	0.7
95.08617	7.1
96.08920	0.8
97.10174	1.1
102.12863	0.5
105.07018	1.7
107.04962	7.7
107.08578	2.0
109.06491	0.9
109.10197	2.3
111.11710	0.7
116.05843	0.4
117.07037	0.6
119.08587	1.1
121.06496	1.6
121.10162	1.5
122.07301	12.2
123.08086	6.0
123.11705	1.4
125.06080	0.5
133.10054	0.5
135.04417	0.9
135.08043	3.7
135.11668	0.7
137.06024	1.2
137.13211	0.6
138.06770	1.0
139.07547	0.7
149.09579	0.5
150.06775	40.2
151.07549	53.1
152.08308	3.2
153.05464	0.9
161.09636	0.6
163.07571	2.7
163.11174	1.7
164.08354	1.4
165.09076	0.7
167.07021	2.2
173.09599	1.3
175.07588	1.9
177.09149	1.5
181.04991	1.7
182.05399	0.5
189.09093	1.4
191.10687	20.5
205.12140	0.6
219.13779	1.1
414.34940	100.0
415.35782	3.3
432.18591	2.4
432.35788	1.5
433.32687	0.6
450.72223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29589	0.6
55.05500	1.9
57.02471	0.6
57.07076	1.3
67.05515	3.3
69.03439	0.6
69.07078	4.5
69.09902	0.6
71.35025	0.9
79.05497	3.4
81.07067	3.6
83.08622	2.1
88.33941	0.6
93.07069	1.5
94.07841	1.1
95.08613	9.1
97.10188	1.3
105.07031	1.7
107.04966	10.6
109.06548	0.6
109.10167	2.6
114.93266	0.6
119.08544	0.6
119.20802	0.5
119.42118	0.5
121.06509	2.4
121.10118	0.9
122.07298	21.3
123.08076	9.4
123.11714	1.7
125.13307	0.7
135.04521	0.7
135.08067	6.5
136.59578	0.6
137.06017	1.4
137.13229	0.7
138.06744	1.9
145.10103	0.7
149.05951	0.6
149.09660	1.2
150.06776	58.8
151.07556	91.0
152.08313	5.8
153.01836	2.3
163.07555	4.5
163.11198	1.5
164.08321	1.9
165.09088	0.9
167.07089	1.6
173.09578	1.2
175.07570	3.1
176.08348	1.2
177.09123	3.7
189.09106	2.4
191.10684	30.2
199.94675	0.6
205.12247	1.0
298.76794	0.6
338.37381	0.6
414.34952	100.0
415.35547	2.9
432.36023	30.7
433.36322	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	433.1132
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
51.74332	0.4
51.90274	0.4
52.68562	0.4
55.01873	0.7
55.05496	1.5
57.03417	1.3
59.70455	0.4
61.02916	1.9
65.03946	0.6
65.62035	0.5
67.05493	1.9
69.03421	1.8
69.07053	1.5
69.91029	1.9
73.02552	0.8
73.02920	9.7
79.05479	1.4
81.03423	0.5
81.07053	2.5
83.01323	0.9
83.04967	1.0
83.08616	0.8
85.02888	1.9
85.06518	0.8
91.05482	1.0
93.07022	2.2
93.18002	0.5
95.04990	1.1
95.08604	2.3
97.02873	1.2
97.06509	0.6
98.21076	1.4
103.05455	0.4
105.03383	0.9
105.07038	1.4
107.04961	1.3
107.08581	2.0
107.77204	0.4
109.06502	0.6
109.10184	1.0
111.04419	0.4
111.08087	0.6
113.09628	0.5
114.25816	0.4
115.03937	1.0
119.08591	1.4
121.02875	3.0
121.06494	0.7
121.10124	1.2
123.04446	1.1
123.08030	0.7
123.11700	0.7
125.06014	0.5
125.09582	0.7
127.03875	1.5
131.08534	0.7
133.04970	0.4
133.10110	1.0
137.02380	0.7
137.05974	1.2
143.08501	0.6
147.04413	0.5
147.11752	0.5
149.09593	0.5
151.03850	0.8
153.12738	1.0
158.38893	0.4
161.06018	0.9
161.09517	0.6
161.13252	0.5
161.97029	0.4
165.05530	0.4
167.03394	4.0
167.07054	1.4
171.11620	0.6
173.13359	0.5
177.05458	0.7
178.05000	1.3
179.03389	1.9
181.04973	2.9
187.07426	0.6
197.04433	0.6
199.07646	0.7
221.08090	0.7
227.07025	1.3
245.08115	0.5
255.06491	0.8
272.06744	1.3
287.05380	0.5
289.03354	0.6
299.05542	1.0
301.07068	100.0
302.07416	1.9
312.94446	0.5
313.06702	0.5
313.14194	0.5
317.02969	0.6
403.13837	1.0
415.10190	1.6
433.10986	2.5
433.16602	0.6
433.31055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.01865	3.9
55.05503	1.8
60.96931	1.1
67.05473	1.1
69.03414	4.9
70.11535	6.2
71.04993	1.6
78.03486	1.2
79.01840	3.5
79.05495	3.7
81.03426	9.6
81.12648	1.2
83.08598	2.6
85.02914	6.5
91.05493	6.2
95.04958	2.5
97.02898	4.1
97.06507	3.3
98.20967	3.0
101.09643	2.0
103.05453	1.4
105.07014	1.8
107.01296	1.8
107.04929	1.9
109.02887	6.2
119.04919	2.4
121.02879	2.0
121.06533	2.2
123.04447	6.9
124.07594	1.6
125.02339	4.1
127.03912	9.2
129.06990	1.5
133.06506	1.6
135.04422	1.9
137.02353	96.0
137.03409	7.2
137.05984	4.5
138.02646	1.5
143.03429	7.2
145.04945	2.1
147.04402	5.7
149.05966	4.2
150.34293	1.2
153.01837	100.0
153.02896	4.1
161.02336	1.8
161.05995	2.9
163.03862	3.1
163.07550	2.2
165.05563	10.7
167.07045	5.5
171.02934	7.3
175.03929	2.0
175.07538	2.2
177.05475	3.2
179.06990	1.5
181.04965	7.4
181.06432	1.6
191.07068	2.2
193.08562	1.4
193.62065	1.1
195.06517	1.4
205.04878	1.5
205.49654	1.4
207.06496	2.6
215.06911	1.4
217.08585	2.9
221.07959	1.5
227.07068	1.9
235.09761	1.7
243.29453	1.3
245.08093	4.5
247.02437	1.4
249.07637	1.9
263.09125	2.6
271.05923	1.9
275.01987	2.2
287.05634	2.5
297.06174	4.0
299.05460	1.4
299.09082	3.4
301.07047	2.2
315.07272	4.7
325.11023	1.4
327.08658	10.1
329.10507	2.3
330.12830	1.7
343.08209	4.8
345.09753	4.4
371.07419	4.3
371.11407	3.8
387.10675	1.6
389.07916	2.2
389.12375	25.7
397.08960	1.8
415.10275	15.5
433.11203	67.3
433.15897	4.0
434.11346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05503	2.0
57.07064	1.3
65.33377	0.3
66.00555	0.3
67.05505	6.1
69.03423	0.8
69.07079	3.2
69.73035	1.8
71.04977	0.4
71.08626	0.4
75.69350	0.3
79.05485	2.6
80.11274	0.3
81.07058	5.6
83.01338	0.6
83.04971	0.7
83.08629	1.8
85.06551	0.7
87.50285	0.3
91.05479	1.8
93.07050	3.4
95.04965	0.8
95.08047	0.6
95.08614	11.3
97.10179	1.0
98.21160	1.1
105.07047	2.4
107.04940	0.6
107.08623	1.7
108.05742	0.6
108.08932	0.4
109.10156	3.6
111.11723	0.9
117.07017	0.6
119.08601	1.0
121.10145	1.6
123.08072	10.4
123.11700	1.3
125.13329	0.5
130.49797	0.4
131.08594	1.1
133.10129	0.5
135.08080	3.1
135.11690	1.2
136.11998	0.4
137.05948	0.7
137.13229	0.6
138.56097	0.4
141.05405	0.6
145.10194	0.6
147.94386	0.3
149.09566	0.4
149.13304	1.0
150.06775	0.8
151.07547	100.0
151.14751	0.6
152.07867	1.8
153.05482	0.6
155.07024	0.6
163.07449	0.5
173.13202	0.4
175.11172	0.7
177.09180	1.0
191.10806	1.7
198.38268	0.4
205.12231	0.7
275.27322	0.8
293.28409	1.4
305.31284	0.4
305.60666	0.3
363.92456	0.5
369.20517	0.9
381.20432	0.5
413.34100	1.2
431.34882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15144	0.6
53.03933	0.9
54.23256	0.6
57.03432	0.8
69.03439	4.3
71.14491	1.3
73.02949	0.7
73.06562	1.4
79.01859	3.2
81.03419	6.8
84.78514	0.5
85.02901	4.4
88.67953	0.6
90.65930	0.5
97.02904	7.0
98.21247	0.7
98.97620	0.9
99.04464	1.0
100.48763	0.5
106.86234	0.5
107.01320	1.9
109.02882	4.8
118.05019	6.9
120.08115	6.9
125.02335	3.9
127.03923	6.8
143.03398	5.6
145.04942	1.3
153.01836	100.0
153.02798	3.9
153.31885	0.7
154.02216	0.9
166.08640	3.2
171.02908	11.4
189.05585	0.6
193.38565	0.5
197.43372	0.6
231.02921	0.7
257.00897	1.1
259.02328	1.0
275.01733	0.8
277.03400	1.2
285.00226	0.8
297.06046	8.0
301.29889	0.7
303.01334	5.6
304.99512	0.6
315.07108	6.0
327.01154	1.1
376.98248	1.2
394.99188	1.5
418.99289	0.8
432.04373	0.6
452.47198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	11.2
58.44245	0.8
69.03419	1.2
69.63199	5.1
70.06591	5.0
71.12358	0.7
72.04512	4.1
76.07641	24.8
78.87931	0.8
79.01842	2.0
81.03416	5.1
85.02892	2.2
88.07614	2.2
95.49171	0.9
97.02898	3.8
98.21065	2.9
99.04501	0.9
100.07622	73.4
101.05996	1.8
101.07973	0.9
106.02935	1.1
107.01309	0.8
109.02884	4.4
112.07592	1.3
118.08657	100.0
124.03939	1.0
125.02330	1.5
127.03886	3.8
130.08656	1.3
138.05464	0.9
139.65607	0.8
140.07135	1.8
143.03377	3.1
145.04980	0.9
153.01836	46.7
153.02928	1.7
154.02141	1.0
158.08189	1.7
167.81773	0.9
171.02907	5.3
173.02411	0.8
201.01791	1.0
229.01190	1.0
231.02901	1.1
235.26872	0.9
257.00735	1.3
259.02383	1.1
277.03400	3.6
280.13901	1.2
285.00113	1.5
297.06027	4.2
302.98090	1.2
303.01352	12.0
315.07095	2.0
376.98227	3.5
394.99161	5.0
411.47510	0.9
418.98999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01863	1.1
55.05514	5.5
57.03446	1.3
65.03947	1.8
67.05502	3.7
69.03430	7.4
70.06595	1.3
71.55988	1.4
73.02888	1.1
73.06561	13.1
74.06102	1.0
76.07655	2.2
77.41663	0.9
79.01842	1.8
79.05489	3.7
80.05056	1.1
81.03427	6.9
81.05804	1.5
81.07042	2.1
83.05003	5.5
84.04503	1.2
85.02915	8.9
86.06087	2.0
92.05011	3.6
93.05781	1.1
95.04959	1.2
96.08144	3.4
97.02903	6.7
97.06538	1.0
99.04449	2.2
100.07612	2.2
101.06008	1.0
106.06560	31.5
108.08121	87.3
109.02885	4.9
110.06037	1.9
118.08668	8.1
122.05946	1.1
123.06808	6.2
124.07594	33.7
125.02345	1.4
127.03921	10.5
134.04997	1.1
134.06021	22.4
136.07578	16.8
137.02338	3.2
138.05545	1.1
143.03432	1.7
145.04970	4.3
148.07568	1.3
152.07072	94.1
153.01836	21.4
153.02983	2.0
154.02155	4.1
164.07060	2.1
170.08127	36.6
171.02931	2.6
171.46780	0.9
174.56502	1.0
209.06551	0.9
226.10780	2.1
297.05853	1.4
314.12244	1.4
315.07413	1.7
396.16785	1.5
414.17618	30.5
432.18686	100.0
433.10974	1.4
433.18863	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	431.3158
Annotation	Sargachromanol J
Peak:m/z	Relative Intensity
55.01877	2.4
55.05514	3.7
57.07079	20.3
65.03918	0.7
67.05508	6.0
68.99798	0.5
69.03426	1.0
69.07064	5.5
69.28269	1.6
69.28680	3.4
71.04988	1.2
71.08617	0.5
79.05499	3.9
81.07059	12.2
83.01347	12.5
83.04993	0.7
83.08604	2.5
85.02885	0.8
85.06068	0.8
85.06548	13.6
91.05471	2.8
93.07061	3.1
95.04961	0.9
95.08617	9.9
97.02881	2.9
97.06525	1.5
97.10169	1.0
98.21127	2.6
105.07023	2.3
107.04967	3.6
107.08591	2.8
109.06522	1.5
109.10153	5.6
111.08103	0.5
111.11750	0.7
113.05971	0.6
115.03926	1.6
117.07035	0.9
119.08578	1.9
121.06503	2.8
121.10148	1.8
123.08109	2.4
123.11720	3.8
125.06001	10.8
127.11192	1.3
131.08571	1.4
133.06488	1.6
133.10097	1.5
135.08080	1.6
135.11681	1.8
137.05977	11.7
137.09622	0.6
137.13237	0.7
139.07587	0.7
141.05469	1.1
143.08563	1.4
145.06491	1.2
145.10129	1.0
147.08049	1.7
147.11682	1.5
149.06052	0.6
149.09618	0.9
151.07555	19.4
152.07947	0.5
153.05469	72.6
154.05840	0.8
155.06963	0.5
157.10109	0.9
159.08043	0.6
159.11667	0.7
160.60258	0.5
161.05991	0.9
161.09648	1.0
161.13260	0.9
163.07539	2.2
165.05504	1.2
165.09155	3.6
165.16388	0.7
167.07069	5.5
168.80322	0.5
171.06541	0.6
173.13258	0.7
175.07565	1.7
175.11189	1.2
177.09117	0.9
179.07027	4.7
179.10681	0.7
181.04916	0.6
189.09140	0.6
191.10670	1.1
193.08618	14.5
195.10100	0.7
203.10602	0.9
207.10167	1.9
209.11725	1.2
219.10187	0.5
221.11792	2.0
281.15091	0.5
305.24722	0.6
347.25940	1.6
389.30539	1.8
413.30521	2.8
431.31564	100.0
432.31943	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	431.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01859	3.3
55.05509	14.0
57.07069	6.0
65.03928	5.6
67.05174	5.9
67.05508	91.8
69.03421	6.1
69.07075	19.1
69.74091	12.0
69.74514	5.3
79.05069	4.7
79.05498	52.6
81.07057	100.0
83.01329	8.8
83.04982	4.2
83.08593	9.6
89.08715	2.4
89.66482	2.6
91.05473	30.3
93.07048	47.6
95.04952	6.9
95.08607	67.7
97.02914	3.2
97.06502	5.1
97.10173	7.7
98.20931	8.1
105.07036	23.1
107.04930	4.3
107.08592	31.3
109.06541	6.5
109.10161	48.1
111.04421	6.0
117.07009	7.4
119.08598	22.3
120.08073	6.7
121.06516	6.5
121.10157	24.8
123.11701	21.5
125.05999	7.4
125.09623	3.1
127.79960	2.9
129.06975	4.4
131.08569	7.4
133.10156	22.4
135.08080	5.0
135.11662	18.0
137.05995	12.3
137.13263	4.7
143.08545	6.7
145.10129	7.8
147.11661	8.3
149.13242	13.1
151.03885	4.7
151.07526	13.3
151.14717	3.1
153.05495	20.9
155.07053	17.7
157.10086	4.8
159.11717	6.7
161.13261	9.2
163.14873	8.9
165.05467	4.8
167.07063	38.4
171.06508	7.3
171.11728	5.3
173.09448	3.3
173.13287	6.8
175.07529	4.8
175.14806	4.5
177.09099	3.9
177.16397	5.8
179.03448	4.0
179.07028	3.0
179.10654	3.4
181.04964	65.3
181.08598	3.0
183.06531	4.7
185.13281	4.4
187.14847	4.3
191.07063	6.0
193.05016	3.6
193.08630	9.9
197.04436	4.6
199.14909	4.7
203.10629	3.3
207.06505	5.6
215.18105	3.4
217.08603	3.2
217.19534	8.6
231.10045	3.5
241.19530	7.2
259.20584	13.5
272.93887	2.8
395.25906	10.5
413.26669	27.2
431.18317	5.3
431.27814	10.8
441.76181	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	431.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01870	2.8
55.05519	13.2
57.03422	2.5
57.07056	3.9
61.27070	1.6
65.03944	4.5
67.05505	95.4
68.99778	2.0
69.03426	6.4
69.07056	11.2
69.48668	7.0
69.49077	5.6
71.04990	1.9
79.05056	2.4
79.05491	33.9
81.03385	2.9
81.07058	100.0
83.01354	2.1
83.04977	5.3
83.08611	4.2
84.80576	1.9
91.05471	23.1
93.07047	29.1
95.05002	8.3
95.08607	70.8
97.06528	4.4
97.10198	2.5
98.20696	2.1
98.21313	6.0
99.04482	3.0
105.07013	18.1
107.04962	5.8
107.08579	20.0
109.06504	6.1
109.10157	36.7
111.04428	7.3
113.06001	1.7
117.07015	8.4
119.08582	24.2
121.06512	4.2
121.10135	15.2
121.74010	1.8
123.04427	1.8
123.08043	4.5
123.11714	24.3
125.05962	3.2
129.06970	6.1
131.08578	14.3
133.06522	4.0
133.10115	11.0
135.08014	5.7
135.11714	8.8
137.05962	3.5
137.09644	2.9
137.13246	7.9
139.03848	2.7
141.05489	9.0
143.08504	6.1
145.10123	9.3
147.08066	6.6
147.11635	8.7
149.09642	2.2
149.13277	5.8
151.07549	4.0
151.14812	2.8
153.01846	1.8
153.05476	24.4
153.09003	1.9
155.07109	3.0
157.10139	2.0
159.11694	6.3
161.09622	3.2
161.13283	3.5
163.07541	3.2
163.14777	5.2
165.05502	3.8
165.09119	2.8
167.03384	12.3
167.07016	2.9
169.08620	3.4
169.10103	3.3
171.11624	2.5
173.13240	4.1
175.14806	1.9
177.05466	3.2
177.09258	2.4
177.16315	5.3
179.03305	4.0
179.07065	4.2
181.04944	5.0
181.10143	2.3
185.13234	1.8
187.07481	1.9
187.11124	2.3
187.14809	2.1
189.09087	2.5
189.12794	1.8
191.07010	5.2
197.04396	2.9
197.13364	2.0
199.14909	2.7
201.08975	2.7
201.12628	3.1
203.14236	2.5
207.06534	2.0
207.10262	2.1
211.11304	2.0
211.14813	2.2
217.08629	3.1
219.10194	5.7
219.21042	2.4
229.08519	2.7
231.06560	2.1
231.10243	3.6
231.17509	2.8
235.16901	2.1
243.21063	2.5
247.17101	3.0
253.97287	2.1
273.18423	5.7
277.14401	2.1
285.21997	3.2
291.19586	1.9
299.16284	2.2
302.97336	1.6
303.23215	2.7
317.17484	3.2
325.17917	3.1
342.48218	1.7
343.18863	1.9
345.25055	1.7
355.19043	3.5
357.20627	4.8
369.20715	2.7
395.21762	13.2
395.26465	2.9
413.23080	7.8
413.27338	5.0
431.22986	2.9
431.28394	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	431.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.8
57.03441	18.5
65.03937	1.8
67.05507	30.5
69.07056	9.8
70.00246	6.6
71.04999	3.5
77.75732	1.9
77.86344	1.8
79.05059	2.7
79.05498	34.1
81.03403	2.2
81.07060	34.0
83.01367	3.2
83.04984	3.1
83.08611	6.5
85.00996	1.5
85.06554	7.6
91.05482	26.1
93.07053	38.5
95.04972	5.4
95.08615	37.3
96.95086	1.7
97.06540	3.0
97.10185	3.1
98.20953	3.6
99.08095	5.0
105.07034	21.5
107.08601	27.2
109.06521	10.9
109.10165	11.6
113.09674	1.9
117.07031	4.0
119.08597	14.6
121.06514	2.0
121.10148	25.7
123.04443	6.8
123.08084	2.4
123.11725	3.5
125.05982	2.7
129.06964	3.1
131.08566	11.7
133.10146	13.8
135.11690	20.9
137.05995	13.3
137.09599	3.1
141.40747	1.9
143.08565	3.4
145.10139	16.1
147.11726	9.2
149.09714	2.4
149.13284	9.6
149.52357	2.1
151.07549	5.4
153.05493	3.6
155.07042	100.0
157.10173	5.9
159.11682	9.2
161.05992	3.3
161.13258	6.7
163.11234	1.9
167.07053	19.1
171.11700	4.1
173.13359	3.2
175.14836	4.1
177.16434	2.2
180.69951	1.7
181.04973	48.2
182.05356	2.3
184.03601	1.8
185.13252	3.5
187.14839	22.9
191.07005	2.2
199.14955	2.1
205.14307	1.8
205.15939	13.8
209.08186	2.4
221.19002	3.7
241.19467	8.5
259.20670	17.6
277.21622	38.8
339.55219	2.0
413.19489	1.9
431.31021	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	431.2794
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
53.03945	5.9
55.01867	4.8
55.05517	16.7
57.07061	2.9
65.03938	5.5
65.45060	2.0
67.05508	100.0
69.07070	14.2
69.56852	4.1
69.57265	8.0
71.05012	1.8
79.05054	3.1
79.05498	50.3
81.07059	98.4
83.01337	13.2
83.04990	2.7
83.08611	8.1
84.39584	2.0
85.02882	2.1
91.05485	34.6
93.06482	1.8
93.07047	54.4
95.04971	7.4
95.08614	74.1
97.02899	2.8
97.06505	7.3
97.10176	3.8
98.21124	8.2
99.08103	1.9
105.07038	29.4
107.04947	2.4
107.08599	31.5
109.06497	5.3
109.10161	43.2
111.04435	3.6
111.11704	2.3
117.07012	9.7
119.08596	21.1
120.08838	1.8
121.06487	2.4
121.10145	25.6
123.08063	3.0
123.11708	18.9
125.05978	6.7
129.07010	4.7
131.08606	13.3
133.10129	20.7
135.04463	2.5
135.08049	4.6
135.11713	21.4
137.02333	3.7
137.05965	7.6
137.13258	7.1
139.07498	4.9
143.08577	5.5
145.10133	10.0
147.08031	2.4
147.11688	14.4
149.05916	1.9
149.13268	14.8
151.03961	3.6
151.07536	10.6
151.14885	2.8
153.05484	28.5
155.07053	15.5
157.10129	5.5
159.11728	9.4
161.09630	4.1
161.13258	12.6
163.07570	3.9
163.11197	1.9
163.14822	4.3
165.05568	8.4
166.29111	1.7
167.03357	2.4
167.07059	34.5
171.06543	10.6
171.11615	5.1
173.13266	7.9
175.11205	2.6
175.14867	8.9
177.05432	2.6
177.09171	2.2
177.16426	2.9
179.03407	5.2
179.07051	5.5
181.04967	76.8
181.08560	3.4
181.10037	2.2
183.06523	5.1
185.13239	4.4
191.06996	9.0
193.08582	6.6
195.06415	2.3
197.04440	4.6
199.14786	4.0
205.08618	3.4
207.06517	6.3
209.08073	5.3
213.16379	2.0
215.17938	3.7
217.08467	2.1
217.19518	6.6
219.10138	3.9
221.11682	3.0
231.10120	4.5
231.21086	3.5
241.19623	10.4
243.10153	1.9
245.11865	2.7
259.20602	18.0
291.15997	1.9
329.24722	3.3
367.26443	2.5
371.25757	3.3
377.24884	2.1
385.27435	2.3
395.26068	9.3
413.26883	34.2
431.27991	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	431.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02927	2.1
53.03939	5.5
54.98990	1.8
55.01860	2.8
55.05510	17.2
57.03439	3.7
57.07064	8.2
62.26183	2.1
67.05508	42.3
69.03428	4.6
69.07074	17.7
70.52953	3.4
70.53356	4.1
71.05000	4.0
71.08606	3.9
79.05496	29.2
81.07064	45.4
82.07370	1.9
83.04975	7.6
83.08632	10.2
85.06536	6.7
88.80840	2.2
90.36266	2.4
91.05479	21.4
93.07041	39.2
95.04973	4.9
95.08611	32.4
97.06537	5.7
97.10177	5.9
98.21236	3.6
99.08108	3.8
102.25677	1.9
105.07043	22.2
107.08601	30.8
109.06519	8.9
109.10160	26.1
111.08088	3.6
117.07010	5.0
119.08582	18.1
121.06509	5.2
121.10157	22.4
123.08043	5.8
123.11697	9.3
125.05994	11.5
125.09641	3.9
129.07022	2.7
131.08565	7.6
133.10127	14.5
135.08086	3.5
135.11690	20.3
137.05995	18.4
137.09669	4.2
137.13229	2.4
143.08589	3.2
145.10123	7.5
147.11696	11.9
149.09607	4.1
149.13295	10.1
151.07516	6.1
153.05516	9.6
153.09033	2.9
155.07036	100.0
159.11703	10.7
161.13245	6.7
163.11250	4.8
163.14848	4.9
165.12817	2.6
167.07066	11.5
171.11659	3.3
173.11769	2.9
173.13255	6.2
175.14844	4.7
177.09195	2.5
177.12680	4.9
177.16460	2.8
179.14261	12.6
181.04964	23.5
181.12225	2.7
187.14859	3.3
189.12651	2.7
207.10118	2.3
207.13928	2.7
241.19572	4.2
259.20615	12.2
277.21634	28.7
329.24774	9.6
347.25751	5.4
357.24332	3.3
375.25287	9.2
385.31146	5.7
413.30737	4.3
431.18604	2.7
431.26682	3.6
431.31503	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	431.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01863	11.0
55.05514	34.7
57.03436	7.5
57.07069	7.6
62.34234	2.9
65.03956	4.1
67.05170	5.4
67.05510	73.9
68.99778	3.6
69.03438	7.9
69.07068	31.4
71.04996	6.3
71.06623	3.1
71.08633	26.1
71.56867	3.9
74.09215	3.2
79.05492	62.0
81.03423	11.7
81.07056	81.0
83.01331	10.3
83.04983	16.1
83.08599	17.5
85.06544	8.9
91.05464	48.4
91.05917	4.0
93.07051	78.2
95.04980	26.4
95.08614	62.0
97.02872	4.8
97.06552	12.1
97.10174	7.6
99.08079	21.2
105.07040	31.7
106.88625	3.2
107.04972	5.7
107.08592	39.3
109.06522	10.9
109.10148	27.6
111.04448	3.0
111.08089	7.3
115.00320	3.0
117.07030	12.2
119.08588	32.6
121.06495	8.0
121.10181	26.6
123.04456	5.3
123.08085	8.9
123.11716	10.1
125.05991	5.5
125.09602	5.3
129.07001	6.0
131.08580	22.6
133.06534	3.9
133.10138	25.1
135.04414	3.5
135.08069	10.0
135.11687	24.0
137.05981	23.3
137.09615	8.5
137.13268	6.2
139.07527	7.9
139.11186	13.2
141.05486	7.5
143.08595	11.3
145.10141	19.5
147.08015	7.2
147.11684	24.6
149.09601	4.8
149.13254	12.6
151.07553	24.2
151.11198	30.9
152.97469	3.1
153.05502	26.4
155.07036	100.0
157.10130	8.7
159.11702	12.0
161.09615	6.2
161.13297	14.9
163.07571	3.5
163.11162	18.7
165.05489	5.3
165.09129	4.1
165.12743	7.7
167.03394	13.6
167.07060	65.1
167.08426	6.8
169.08638	7.8
169.10083	3.9
171.11703	12.2
173.13310	7.0
175.07547	7.4
175.11209	7.1
175.14789	8.3
177.05492	4.6
177.09074	4.7
177.12788	5.5
179.14322	9.5
181.04965	96.2
181.08623	4.1
183.11707	4.1
183.30397	3.1
185.13251	6.2
187.14763	4.9
187.81445	3.3
189.09140	4.9
191.07024	26.2
193.04942	4.8
193.08591	9.3
193.12207	6.5
197.13260	4.0
203.14331	3.7
205.08617	10.3
209.08131	3.8
217.19670	6.6
221.11754	3.8
221.15283	5.9
231.21310	3.2
233.15395	6.3
237.14838	5.8
241.19542	12.8
247.13383	3.9
248.14087	4.1
249.14944	4.0
253.14343	4.1
259.20639	17.3
261.14764	5.0
277.21640	78.1
289.14471	6.8
315.16003	4.1
315.19543	6.0
331.19107	12.8
333.20535	8.5
337.21649	3.5
381.20657	9.4
395.25790	6.2
399.21805	7.8
413.26782	25.8
413.30988	3.1
431.19043	7.4
431.27777	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
53.53770	0.3
55.05512	2.2
57.07096	0.7
58.31299	0.3
65.03968	0.4
67.01874	0.6
67.05509	9.3
68.99788	0.4
69.03446	0.7
69.07072	3.6
69.24599	3.1
70.07419	0.4
71.08652	0.4
79.05502	2.7
81.07063	9.1
81.07515	0.6
83.05032	0.3
83.08623	1.9
85.06577	0.3
91.05502	1.7
93.07057	3.2
95.04971	0.4
95.08615	7.9
97.02914	0.6
97.10192	0.7
98.20834	1.1
98.21506	0.7
105.07043	1.1
107.08614	2.0
109.10160	3.2
119.08587	0.9
121.10156	1.5
123.04493	0.6
123.11732	1.2
124.39764	0.3
127.03924	7.9
133.10146	1.0
135.11697	0.8
137.13274	0.9
139.03902	1.7
140.15166	0.3
147.11708	0.7
149.13263	0.4
151.03908	0.7
151.07504	0.5
153.01840	64.4
161.13264	0.6
163.14825	0.6
165.01846	1.2
167.03297	0.4
167.07045	3.6
168.07437	0.6
169.04965	2.1
169.07489	0.3
171.02942	0.4
175.14877	0.5
181.04961	1.0
183.02922	1.0
189.16325	0.4
193.07820	0.3
200.84781	0.3
207.09129	0.4
212.95444	0.3
245.22623	0.8
249.11172	1.1
263.23761	2.0
275.68307	0.3
287.23688	0.5
298.13312	0.4
305.24667	0.6
320.11813	0.4
333.12405	0.4
345.12888	0.4
346.13187	1.2
356.11414	0.4
358.12305	1.1
359.13022	0.7
360.14474	1.0
361.15128	0.4
365.50690	0.3
370.13110	0.7
371.13168	1.2
372.13748	3.0
373.10553	0.3
373.14563	4.3
374.15762	0.4
375.16089	0.3
385.14267	1.0
386.15546	2.2
387.16074	7.5
388.16873	3.7
389.17188	0.7
400.12894	1.2
400.17270	0.6
401.12997	3.9
401.17578	3.1
402.18631	3.1
403.19324	4.7
413.26718	6.2
414.14597	1.3
415.15082	6.3
416.15802	8.4
417.16495	1.1
429.16794	1.2
430.17502	3.1
431.18362	100.0
432.18875	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	431.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.6
55.05509	28.4
57.07059	14.4
67.05511	86.0
69.03439	5.1
69.07068	31.0
69.49237	5.5
69.67727	22.8
69.68130	12.7
71.04992	7.1
78.44559	5.1
79.05493	45.9
81.07061	78.1
83.04993	6.6
83.08617	13.0
85.02872	5.2
91.05475	32.8
93.07035	38.3
95.04958	9.9
95.08607	69.4
96.08968	5.5
97.02959	6.5
97.06530	11.4
97.10145	7.1
98.21070	17.4
99.04456	7.4
105.07031	33.1
107.04955	17.6
107.08566	24.3
109.06483	5.9
109.10140	19.8
111.04415	21.3
113.06013	16.9
117.06990	9.1
119.08588	15.4
121.06451	8.2
121.10117	24.9
123.04462	6.2
123.11715	17.5
125.05978	16.5
131.08525	14.8
133.10164	13.2
135.04414	22.2
135.08046	8.3
135.11649	26.0
137.13287	5.4
137.63843	6.0
139.03911	49.9
142.58308	5.7
145.10121	10.4
147.11681	13.9
147.26920	6.0
149.05975	6.5
149.13219	12.6
149.15208	6.4
151.07603	13.9
153.05473	57.5
155.07054	15.7
157.04855	6.5
157.10088	8.6
159.11653	9.8
161.13245	5.5
163.03876	13.7
163.07578	8.5
165.05431	7.4
167.07030	46.9
168.07414	11.3
169.08699	8.4
171.06502	18.3
173.09573	8.4
179.03288	6.8
181.04980	40.9
181.08614	5.7
191.07059	10.5
195.06650	10.6
198.92896	5.2
199.05952	16.6
205.08478	5.4
209.08096	11.7
215.18082	5.5
219.10167	5.3
221.11755	6.4
223.09689	11.8
233.11693	5.9
237.75406	6.6
287.16504	6.9
294.65457	6.1
371.25824	15.2
372.13693	6.2
400.12857	6.1
413.26364	10.5
416.16168	13.3
431.18341	100.0
431.31641	20.6
432.18805	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	431.2793
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
53.03941	2.6
55.01875	1.6
55.05513	10.6
57.03181	1.8
57.03439	22.8
57.07076	1.6
62.12324	1.1
65.03920	1.3
67.05506	32.0
69.03432	1.2
69.07083	8.7
69.87000	4.1
69.87417	1.9
71.04992	3.5
79.05494	35.8
81.03400	1.4
81.07059	44.7
83.01326	1.2
83.04989	1.9
83.08619	7.8
85.06538	6.4
91.05482	25.6
93.07045	43.3
95.04984	4.9
95.08609	38.5
95.09227	1.1
97.02921	1.6
97.06534	3.7
97.10168	2.9
99.08098	4.3
105.04492	1.0
105.07033	21.9
107.04993	2.5
107.07870	1.7
107.08598	29.3
109.06521	13.3
109.10160	15.2
111.08089	3.4
113.06009	1.4
117.06991	6.4
119.08584	20.4
119.09441	1.0
121.06517	1.7
121.10152	27.1
123.08092	3.1
123.11715	3.9
125.09646	2.7
129.07025	2.3
131.08568	10.9
133.10129	12.3
135.08063	2.3
135.11699	25.9
137.05986	23.4
137.09645	3.3
137.13289	1.4
139.07587	1.1
140.04692	1.7
143.08580	2.5
145.10124	19.5
147.08107	1.5
147.11684	8.9
149.09625	2.0
149.13239	11.0
151.07562	2.4
151.11188	2.8
153.05487	3.2
155.07033	100.0
157.10133	3.4
159.11703	9.4
161.13232	6.8
163.11232	2.7
163.14874	3.7
165.12772	1.6
167.07051	11.4
171.11685	6.0
173.13269	3.8
175.07576	1.3
175.14894	5.8
177.16335	1.0
181.04968	50.0
181.12257	1.4
183.06494	1.3
185.13269	5.3
187.14822	26.0
191.07021	1.3
193.08604	2.8
193.12172	1.3
193.15878	1.1
195.13789	1.4
201.16325	1.2
203.17900	3.5
205.15904	15.7
211.09647	1.4
213.16437	2.9
221.19092	3.1
231.21178	2.1
241.19579	8.9
259.20578	21.7
277.21628	37.1
322.65982	1.3
431.18668	2.2
431.27615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
53.89963	1.1
55.01871	2.1
55.05515	15.7
57.03441	1.8
57.07085	2.3
61.83628	1.1
64.86722	1.1
65.03936	5.0
67.05505	94.8
69.03408	3.4
69.07070	11.3
70.87099	1.1
70.87502	1.0
70.98949	2.2
71.04990	1.3
79.05061	2.3
79.05498	38.4
81.03410	2.2
81.07059	100.0
82.07367	1.0
83.01340	5.7
83.04977	4.6
83.08644	5.5
85.02901	1.8
85.06538	1.7
91.05482	27.4
93.03396	1.5
93.07048	42.4
95.04958	5.4
95.08608	75.1
97.02919	3.1
97.06538	5.2
97.10148	2.4
105.04516	1.0
105.07039	20.5
106.07358	1.1
107.04945	3.3
107.08601	24.9
109.02823	1.8
109.06491	4.1
109.09454	1.9
109.10156	31.9
111.04433	4.9
111.08088	2.4
113.68856	1.2
117.07021	6.3
119.07900	1.2
119.08595	13.5
121.06486	3.1
121.10147	19.2
123.04394	1.2
123.08089	2.4
123.11710	22.5
125.06012	5.6
129.05493	2.0
129.06987	3.1
131.08594	7.0
133.06482	1.9
133.10138	16.1
135.04376	2.1
135.08040	3.3
135.11708	16.1
137.02368	1.8
137.06038	5.2
137.09592	2.5
137.13239	7.4
139.03853	1.3
139.07518	3.2
139.30382	1.2
141.05441	1.5
143.08565	4.8
145.10161	8.6
147.04393	1.6
147.08047	3.7
147.11711	12.3
149.06029	1.4
149.09607	2.1
149.13290	11.3
151.03897	1.1
151.07526	9.8
151.14804	2.1
153.05484	20.6
154.07713	1.3
155.07031	12.6
156.65831	1.1
157.10158	3.1
159.11694	6.9
161.06013	1.4
161.13275	8.7
163.07530	3.0
163.11276	1.5
163.14827	6.2
165.05463	4.4
165.09085	3.5
167.03438	1.6
167.07048	21.6
169.95506	1.1
170.97726	1.1
171.06558	9.5
171.11658	3.6
173.09639	1.9
173.11830	1.5
173.13251	6.0
175.07571	2.0
175.11195	2.0
175.14752	7.0
177.09187	2.0
177.16365	3.6
179.03433	3.1
179.06969	3.2
179.14194	1.2
181.04959	48.2
181.08528	2.2
181.10178	1.1
183.06517	2.7
183.11691	1.3
185.13264	3.4
187.14839	2.1
189.09087	1.5
191.07027	7.3
193.08615	5.1
193.12253	3.5
197.04428	3.4
199.14897	2.2
205.08571	2.5
207.06546	4.1
209.08102	2.9
213.16200	1.4
215.10635	1.3
215.17918	3.1
217.08519	1.8
217.16000	1.3
217.19545	6.4
219.08293	1.1
219.10185	4.9
221.11826	2.1
223.09621	1.7
231.10135	3.2
231.21097	3.4
233.11763	1.4
237.11246	1.5
241.19525	9.3
243.21046	3.4
245.11760	2.4
259.20581	11.8
261.22089	2.6
275.20139	1.9
276.20404	1.4
277.20883	1.8
285.22076	1.9
313.18033	1.9
353.24619	1.2
367.26120	1.6
371.25848	5.2
377.24683	4.6
385.27322	2.4
395.25760	11.5
413.26840	22.8
431.27737	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	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01875	13.4
55.05522	1.4
57.03443	7.1
61.02936	8.1
66.87840	1.9
68.99785	3.4
69.03431	35.4
69.35406	1.8
69.35819	13.0
71.05006	5.0
73.02924	10.6
79.05509	3.2
81.03424	39.8
81.07060	3.3
83.01360	1.6
83.04961	2.1
85.02909	100.0
87.00838	33.6
91.03973	3.7
91.05489	2.1
93.07063	2.8
95.04945	1.5
95.08589	2.5
97.02895	37.3
98.20870	5.4
99.04462	19.3
103.03957	2.5
105.01870	29.1
105.07052	5.7
107.08590	3.3
108.04503	8.7
108.05164	1.6
109.02139	2.0
109.02882	40.1
115.03884	1.9
115.26463	1.5
117.01858	6.2
117.19997	1.6
126.05518	3.2
127.03919	68.8
129.01863	3.5
133.06500	3.8
135.11642	1.7
137.05980	13.7
144.06511	1.7
145.04973	34.1
147.02890	5.0
151.07535	2.8
159.02902	28.3
165.09149	12.8
174.06789	1.8
175.07605	2.1
177.09167	4.2
189.09183	5.4
189.93744	1.9
207.10088	2.1
211.61377	1.5
213.03967	2.7
230.06680	3.6
231.05034	13.4
231.10387	3.0
233.15326	2.2
248.07692	5.1
255.10294	4.3
273.11212	3.3
291.12131	2.1
430.30600	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	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	17.8
57.07074	17.2
59.04995	4.6
63.04497	22.2
65.18892	2.3
69.03075	3.5
69.03431	53.3
69.42361	19.9
70.06595	32.1
81.03404	4.4
83.04964	2.2
85.02905	44.2
87.04468	43.9
94.49892	2.3
97.02894	53.5
98.21304	9.0
109.02856	3.9
113.03468	3.7
115.03932	74.1
119.10696	100.0
123.04420	8.6
127.03889	5.5
133.04964	71.4
145.04997	5.5
147.04427	6.1
150.07552	4.6
151.03943	6.1
153.01839	4.2
153.03038	2.6
167.05511	2.9
177.05487	7.4
192.42827	2.6
203.03404	6.5
229.02814	2.4
256.02945	3.0
329.10208	4.1
355.08066	4.5
408.31641	2.5
430.14935	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	430.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05510	1.1
55.67985	0.5
56.05681	0.4
57.07077	5.6
60.22190	0.4
65.84106	0.4
67.05504	4.5
69.07059	1.5
69.68900	0.8
69.69308	2.6
79.05496	3.4
81.07062	2.8
83.08619	1.0
85.06544	3.9
91.05479	1.3
93.07035	2.3
94.07832	0.8
95.08602	9.2
98.20943	1.4
98.21528	0.5
103.89379	0.5
105.07037	2.6
107.04955	15.2
107.08619	0.6
109.06512	1.1
109.10152	2.0
111.04461	1.0
117.06999	0.5
119.08579	0.7
121.06516	4.2
121.10159	1.2
122.07291	23.2
123.08083	11.3
123.11661	1.1
127.11193	0.8
131.08624	0.8
135.04411	0.9
135.08060	8.1
136.08342	0.7
137.05969	1.9
138.06766	2.6
143.08513	0.7
145.10065	1.1
149.09641	1.2
149.13313	0.8
150.06763	63.6
151.07545	95.6
152.08321	6.1
162.06747	0.8
163.07544	6.3
163.11183	2.4
164.08324	2.4
165.09142	1.1
167.07063	0.8
173.09642	2.2
175.07640	0.8
176.08286	0.9
177.09109	3.8
191.10686	30.2
192.11032	0.9
200.91789	0.5
205.12280	1.2
215.40573	0.5
276.20972	0.6
387.29163	0.6
430.34418	100.0
431.34424	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	431.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35052	2.1
55.01871	2.2
55.05495	2.2
57.03437	21.0
61.02925	3.5
67.05515	4.8
68.99799	2.4
69.03077	2.7
69.03436	43.4
71.04990	2.2
71.57559	3.2
79.05486	7.2
81.03423	6.7
81.07045	8.2
83.04951	4.1
85.02910	7.6
89.88856	2.0
91.05472	5.7
93.03416	2.2
93.07037	5.6
95.04974	6.6
95.08595	2.4
97.02883	3.5
99.04448	5.9
103.03938	11.7
103.05466	5.5
105.07056	9.4
107.04957	31.2
107.08593	4.4
109.02907	7.4
109.10163	3.4
111.04436	1.9
117.05498	57.3
117.06290	4.3
117.06966	3.1
119.08584	4.3
121.02873	2.1
123.04441	3.5
124.51846	1.9
125.05994	2.5
127.03913	9.8
131.04970	3.7
133.06418	2.6
135.04471	2.6
135.08034	13.4
137.02356	41.5
137.03412	4.5
137.05994	4.7
137.09531	1.8
141.01854	2.4
145.02846	1.9
145.06586	2.6
145.10106	2.4
147.04404	3.6
149.02328	2.7
151.07663	3.6
151.11183	2.1
153.01863	2.0
153.03520	1.9
157.08644	3.0
161.02448	2.1
161.05888	2.7
163.03917	8.1
163.07555	25.2
165.01831	6.4
165.05534	2.5
167.07047	59.4
167.08415	4.0
168.07729	2.3
175.03911	4.7
175.07542	2.3
177.05537	2.1
180.07770	2.6
183.02858	3.4
187.03951	2.9
187.07567	2.3
191.03401	3.9
193.08551	7.3
195.10168	17.5
197.06094	2.3
201.05540	3.0
201.07544	5.8
203.03403	4.7
205.04962	2.3
205.08659	2.3
207.10274	2.3
211.07607	2.7
211.09621	7.0
213.05431	3.2
213.11215	46.7
217.04926	2.6
219.08472	6.4
219.10228	6.9
231.56386	2.0
239.06973	3.4
243.15974	3.8
245.04494	3.3
251.12738	3.5
257.04541	2.3
257.08194	2.3
259.06128	2.7
267.06586	3.1
287.14816	13.0
295.06024	2.8
299.05508	4.8
302.04272	3.2
303.04935	12.2
305.03085	2.4
311.14957	3.0
313.07111	8.7
315.04996	100.0
316.05594	7.1
325.06915	2.9
327.04929	23.2
329.03134	2.4
329.06665	6.7
339.04913	4.1
339.08682	2.2
341.02747	4.5
341.06570	44.5
343.08179	6.1
345.06000	13.3
351.08679	3.3
353.06393	10.3
357.06003	6.3
367.08176	14.1
369.06055	77.7
371.07629	4.1
377.06281	2.4
395.07642	50.7
395.16821	2.7
396.07925	3.5
413.08673	77.8
414.08829	4.8
431.09766	52.8
431.15005	1.9
431.22476	2.9
431.29425	2.4
432.09900	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	431.2429
Annotation	CJ 15544
Peak:m/z	Relative Intensity
50.13235	4.0
53.03957	6.4
53.96916	3.7
55.01876	11.3
55.05515	25.9
56.47189	3.8
57.03444	10.5
67.05507	70.9
69.03436	27.2
69.07069	14.7
69.62867	27.0
71.04988	11.0
79.05491	71.9
81.03413	8.9
81.07059	100.0
83.01338	11.0
83.05003	23.0
83.08610	5.1
85.06566	3.9
91.05477	80.0
93.07051	63.7
95.04984	28.2
95.08605	55.7
96.30423	3.7
97.06526	17.2
98.20868	8.8
98.21465	8.6
105.04537	4.1
105.06383	7.1
105.07030	77.7
107.04966	17.7
107.08601	49.8
109.06509	16.6
109.10162	15.8
111.08134	5.2
115.05502	4.7
117.07003	20.9
119.08583	48.7
121.06512	16.1
121.10144	24.2
123.04453	10.8
123.08079	18.1
123.11663	4.6
125.02346	4.0
125.06014	4.8
125.09640	5.8
128.06247	10.3
129.07028	17.3
131.08585	46.3
133.06499	9.6
133.10158	29.1
135.08075	12.3
135.11700	17.4
137.05997	12.9
137.09671	7.2
141.05476	55.1
141.06995	5.7
142.07854	5.0
143.08574	15.5
145.06537	7.6
145.10124	26.3
147.08037	9.2
147.11697	18.1
149.09686	9.2
149.13272	7.9
151.07539	13.2
153.05466	50.6
153.09081	4.6
155.07068	5.6
155.08440	8.0
155.23270	4.1
157.10088	20.2
159.11693	16.7
161.05951	4.6
161.09621	7.6
161.13289	8.2
163.07611	5.2
163.11171	5.2
165.05476	7.7
165.12741	7.4
167.03416	96.8
167.04736	8.1
167.07077	16.0
169.08606	7.6
169.10078	8.4
171.11717	13.0
173.13258	6.8
175.11203	9.2
177.05478	17.2
179.03461	7.6
179.07050	16.8
181.04938	12.2
185.13121	7.9
187.14854	6.8
189.09200	5.1
189.12807	9.0
191.03366	5.2
191.07054	18.8
191.10667	4.4
193.05011	8.8
193.08653	5.8
193.12297	7.1
195.06522	9.2
195.13765	6.5
203.07089	7.6
205.04959	8.5
205.08662	6.6
205.15857	5.2
207.06468	7.4
207.10063	6.2
209.13181	5.9
213.16396	5.6
215.14380	6.4
217.08621	12.1
219.10106	10.2
229.08748	8.3
231.10089	7.2
231.17416	10.3
243.10257	7.9
245.19086	5.2
247.16975	7.1
255.17487	10.5
257.08231	5.8
273.18478	48.1
277.20386	4.9
281.24884	4.5
281.73077	4.6
291.19598	8.5
302.51688	5.1
325.17911	7.2
343.18774	7.5
355.19202	10.6
357.24606	4.4
369.20490	24.8
377.20764	6.1
395.22159	53.4
413.23203	84.7
431.23862	37.6
431.29358	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	429.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01860	0.7
55.01871	0.7
55.05519	5.6
57.06829	1.3
57.07082	17.8
65.03947	0.8
67.05508	12.4
69.03433	0.6
69.07069	6.6
71.08635	12.5
79.05503	4.4
79.55664	0.6
81.07061	18.0
83.01340	3.2
83.04961	3.5
83.08620	4.4
85.10186	5.7
91.05438	4.1
93.07061	5.3
94.77008	0.7
95.08615	11.9
97.06495	0.7
97.10159	1.7
98.21349	3.8
105.07027	4.5
107.08597	7.8
109.06525	2.4
109.10155	11.0
111.04405	1.0
111.11729	1.3
117.07034	1.9
119.08582	5.5
121.06511	2.3
121.10163	5.9
122.07262	1.2
123.08078	1.4
123.11723	2.8
125.05987	2.3
127.07543	2.3
131.08559	3.1
133.10103	2.9
135.08063	5.5
135.11693	2.7
137.06061	0.8
137.09622	10.3
137.13245	1.1
139.07532	2.9
143.08630	1.2
145.10127	3.4
147.08066	1.1
147.11703	1.6
149.08530	0.6
149.09615	16.0
149.13268	1.3
151.07584	4.5
152.04633	1.1
157.10168	1.1
159.08095	1.7
159.11719	3.4
160.08838	0.7
161.09616	0.9
162.06834	1.2
163.07579	1.1
163.11198	18.8
165.09125	100.0
165.16306	0.8
166.09509	1.3
167.07059	6.1
169.08635	4.4
173.09692	3.3
173.13300	3.1
175.07498	0.7
175.11194	6.8
176.08339	2.6
177.05579	0.9
177.09128	12.6
177.12766	2.1
179.10684	1.1
179.17906	0.7
181.04875	1.1
181.08621	1.2
187.11174	2.8
189.09059	2.6
189.12735	1.7
190.09944	2.0
191.10674	11.0
195.06529	8.5
201.12764	3.7
203.10645	2.0
203.14354	1.6
204.11440	1.3
205.12233	11.3
213.07596	1.9
215.14346	1.2
218.13060	0.8
219.13744	5.1
223.09669	1.2
233.15497	3.5
245.22415	0.8
247.16997	1.7
261.18561	1.5
275.20081	1.7
289.21472	1.6
303.23245	1.7
317.24902	1.3
369.27707	1.3
373.31003	1.0
401.34091	1.3
411.36212	1.8
411.94498	0.7
429.17038	3.4
429.30109	21.2
429.37283	32.4
430.17819	1.9
430.30551	1.5
430.37854	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.94139	0.6
52.84526	0.6
53.03933	0.6
55.05496	2.3
57.07077	15.8
67.05508	4.4
69.07066	4.1
69.40136	5.0
71.08630	10.7
79.05462	1.8
81.07056	8.5
83.04987	0.9
83.08601	3.0
85.10177	7.6
91.05463	2.3
93.07040	3.1
95.08611	6.5
97.10168	2.1
98.20817	1.6
98.21503	1.2
99.11711	0.8
105.07015	2.8
107.08584	4.8
109.10178	5.6
111.04439	1.7
111.11713	1.7
113.00002	0.7
117.06997	0.7
119.08574	3.5
121.06519	0.9
121.10142	3.7
122.07284	1.4
123.08068	1.1
123.11714	1.9
130.24081	0.7
131.08559	2.3
133.10123	1.6
135.08054	4.3
135.11676	2.7
137.05937	1.0
137.09624	10.2
137.13245	0.8
139.07547	1.7
145.06557	0.7
145.10130	2.1
149.09607	14.1
149.13304	1.0
151.07573	2.2
151.11237	0.8
159.11662	2.8
160.08881	0.7
161.09676	0.8
162.06758	0.8
163.11174	17.8
164.08302	0.7
165.09113	100.0
166.09456	1.4
167.07010	1.1
173.09593	2.6
173.13249	1.8
174.10374	0.6
175.07652	1.0
175.11171	4.8
176.08327	1.8
177.09106	12.4
177.12679	1.5
179.10652	1.7
186.10431	0.7
187.11139	3.1
189.09125	1.2
189.12750	2.3
190.09885	1.0
191.10678	9.3
191.14297	1.0
201.12810	2.8
203.10640	2.1
203.14340	1.3
204.11458	0.8
205.12230	10.1
205.16054	0.7
211.63988	0.6
215.14281	2.0
219.13811	5.3
233.15361	4.1
247.16869	2.0
261.18585	0.9
275.20062	2.4
289.21451	1.4
302.23538	0.6
303.23114	1.9
317.24716	1.1
321.61539	0.7
331.26297	1.3
345.28165	1.1
359.29333	1.0
373.30875	0.8
401.34103	2.4
411.36108	2.7
429.31946	2.6
429.37268	40.4
430.37567	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.91869	0.6
55.05524	3.1
57.07079	16.3
67.05514	5.6
67.91586	0.6
69.06772	0.5
69.07067	5.8
71.08635	11.4
71.32063	1.5
79.05484	2.7
81.07058	8.7
83.01312	0.7
83.04959	0.9
83.08618	3.4
85.10188	6.0
91.05453	2.0
93.07033	2.4
95.04926	0.6
95.08609	9.0
97.10169	1.5
105.07041	3.5
107.08582	5.9
109.10161	7.7
111.04452	1.2
111.11729	1.7
117.07043	0.9
119.08593	3.9
121.06601	0.9
121.10144	5.2
122.07290	0.7
123.08060	1.9
123.11735	1.2
129.06911	0.7
131.08556	2.2
133.10098	1.6
134.42999	0.5
135.08054	5.2
135.11703	2.7
137.09621	10.2
137.16093	0.6
139.07536	1.9
144.09335	0.7
145.10141	2.3
147.11703	0.8
149.09616	14.2
149.13220	1.3
151.07578	1.7
159.08109	0.9
159.11702	3.4
160.08809	0.7
161.06100	0.7
161.09607	1.1
162.06717	1.0
163.07523	1.3
163.11198	21.1
165.09117	100.0
166.09444	2.0
167.06993	1.4
173.09615	2.7
173.13313	1.7
175.07529	1.1
175.11197	6.3
176.08368	1.6
177.09128	10.2
177.12770	2.5
179.10683	1.7
186.10452	1.3
187.11208	2.8
187.14830	1.0
189.09143	1.0
189.12772	1.7
190.09843	1.4
190.48573	0.8
191.10681	10.6
201.12775	2.5
202.20493	0.7
203.10689	2.1
203.14311	1.2
204.11331	1.0
205.12250	10.9
215.14316	2.3
219.13811	4.9
219.17439	0.9
229.15849	0.8
233.15395	2.8
247.16924	1.2
261.18527	1.8
271.64432	0.7
275.20129	1.0
289.21658	1.5
303.23212	2.0
317.24750	1.3
335.70038	0.6
359.29480	1.2
363.25146	0.6
373.31073	1.4
401.34036	1.8
411.36084	2.2
429.37305	39.4
430.37985	1.6
442.37598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2999
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
52.61875	0.9
53.03935	4.5
53.97554	0.8
55.01865	2.5
55.03711	1.0
55.05264	0.9
55.05514	13.5
57.07052	3.6
65.03928	3.7
67.05506	94.2
69.03433	1.3
69.07066	11.9
71.02601	1.4
79.05498	26.9
81.07059	100.0
83.01342	11.3
83.04972	3.5
83.08636	5.0
91.05477	20.5
93.07045	26.5
95.04941	4.4
95.08608	65.2
95.09047	1.1
95.09231	1.8
95.09511	1.3
97.06524	2.9
97.10156	2.8
98.21093	1.1
99.08135	1.3
105.07039	11.0
107.04955	1.8
107.08601	12.4
109.06528	7.1
109.10158	36.6
111.04431	1.8
111.08079	2.2
111.11693	1.0
115.05410	1.1
117.07020	3.8
119.08582	9.6
121.06477	4.2
121.10157	9.2
123.08085	6.9
123.11705	16.3
125.06010	5.7
127.07558	11.8
129.07039	1.7
130.07751	1.1
131.08598	5.7
133.10152	7.4
135.08064	8.9
135.11690	5.2
137.05992	1.9
137.09618	7.3
137.13243	6.7
138.06734	1.4
139.07529	12.8
143.08589	1.0
145.10136	4.0
147.08044	2.8
147.11688	2.6
149.05983	7.3
149.09636	4.5
149.13248	3.4
151.07539	22.8
151.14717	1.6
152.04706	2.4
153.05478	3.9
153.09190	1.0
159.08090	1.2
159.11679	2.4
160.08871	1.2
161.09630	4.6
161.13219	1.6
163.07559	11.9
163.11151	2.6
163.14888	1.6
165.07748	2.2
165.09117	33.7
166.09514	1.7
167.07062	12.4
168.07852	1.0
169.08609	90.6
170.67642	0.9
171.11673	0.9
171.79161	0.9
173.09593	2.2
173.13281	1.5
175.07532	2.2
175.11148	2.3
177.05472	5.2
177.09114	5.9
177.16354	2.0
179.07043	2.5
179.10713	2.6
181.04993	2.1
181.08589	19.0
183.11662	1.2
187.11188	1.7
187.14839	1.8
188.08276	1.1
189.09102	7.9
189.62834	1.1
191.07024	15.5
191.10721	1.7
192.07825	1.9
193.08626	2.8
195.06538	56.5
195.10210	2.9
201.09203	1.5
201.12859	1.1
201.16412	0.9
203.10681	1.8
205.08629	3.4
205.12248	2.3
207.10165	7.3
211.09592	4.7
213.07574	15.1
215.10793	1.9
217.12270	1.4
217.19576	2.4
219.10190	1.9
219.21109	1.3
223.09637	16.0
233.11719	3.8
235.13263	2.3
237.11162	1.8
243.21204	3.0
245.11778	2.7
247.13376	2.8
251.12823	1.5
259.13382	2.1
261.14917	1.1
265.14334	1.5
275.16290	1.1
279.15903	2.2
287.16190	1.1
291.16095	1.5
293.17545	3.6
301.18005	1.7
306.68259	1.0
307.18991	4.3
315.19836	1.4
319.19171	1.4
321.20578	2.3
327.19272	2.0
329.21228	1.5
333.20572	1.5
335.22122	2.5
341.21158	1.1
347.22113	2.0
355.22330	1.2
357.45920	1.0
361.23721	1.3
411.28992	11.7
429.16751	10.1
429.30045	41.9
429.36768	4.6
430.17557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.01878	3.0
55.05520	22.0
56.84446	3.1
57.03423	2.4
57.07075	4.7
67.05235	2.5
67.05515	32.0
69.03426	5.5
69.07080	15.1
69.62324	15.4
71.04979	3.2
79.05493	38.5
81.03413	4.6
81.07063	79.1
83.01334	3.4
83.04984	6.4
83.08620	12.4
91.04975	2.9
91.05495	40.0
93.07040	32.4
95.04974	100.0
95.08606	31.7
97.02866	3.7
97.06524	11.2
97.10133	10.1
105.07031	49.6
107.04968	19.6
107.08593	25.0
109.06524	16.6
109.10125	10.7
111.08040	5.2
114.89240	3.2
117.07011	9.8
119.08595	18.9
121.06500	8.2
121.10143	18.3
123.08051	5.1
123.11705	5.0
129.07016	5.2
131.08566	21.4
133.10120	25.8
135.11679	8.8
137.05991	27.7
143.08549	4.9
145.10162	18.5
147.08012	4.9
147.11682	15.8
149.13261	5.9
151.07576	5.8
153.05486	3.2
155.07036	97.6
157.10185	6.6
159.11697	13.8
163.14810	27.6
165.09174	4.7
167.07039	15.3
171.11618	7.6
173.13254	7.1
181.04961	49.7
181.08508	3.6
181.15884	9.5
183.11714	3.9
187.14871	5.6
193.08688	4.2
199.14867	5.1
217.15721	4.3
229.19609	3.0
235.51549	3.3
239.17996	4.1
257.18991	11.9
275.20087	95.6
314.15121	2.7
335.21985	3.9
338.04932	3.2
369.06461	2.9
402.45953	3.6
411.25159	4.6
429.21478	3.2
429.26767	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01860	6.5
55.05511	16.4
58.27896	2.8
65.03933	2.9
67.05508	42.0
69.03427	4.1
69.07056	13.9
69.91032	14.4
71.04983	3.2
79.05490	51.6
81.03421	5.5
81.07060	73.7
83.04971	7.6
83.08620	8.4
84.72823	2.4
85.02903	4.2
85.06536	4.3
87.57743	2.4
91.05477	47.9
93.07041	39.9
95.04964	38.0
95.08612	32.4
95.16708	2.6
97.02910	5.7
97.06503	7.2
97.10153	3.5
98.20864	5.7
98.21440	3.9
105.07030	68.7
107.04961	26.4
107.08591	24.0
107.19721	2.5
109.06538	19.0
109.10134	15.1
111.04449	2.8
111.08063	4.1
117.07029	13.7
119.08579	42.4
121.06513	10.8
121.10167	21.9
123.08041	5.2
123.11719	7.1
125.09608	3.4
128.06180	5.1
129.07001	7.6
131.08551	24.7
133.06499	3.1
133.10121	37.4
135.08055	8.8
135.11693	10.4
137.05963	24.8
137.09616	5.8
143.08522	9.4
145.10146	20.0
147.08041	5.6
147.11682	16.6
149.02390	3.7
149.09608	6.5
149.13232	7.8
151.07539	14.4
153.05473	7.9
155.07031	93.6
155.08400	5.4
157.10161	11.4
159.08136	3.4
159.11722	14.4
161.09587	3.2
161.13338	4.6
163.11273	5.0
165.12825	3.5
167.07050	24.4
169.08583	4.3
171.11716	6.9
173.13242	9.3
175.07582	4.5
175.11192	7.4
181.04976	56.2
181.08600	3.5
183.11691	7.5
191.07040	6.2
193.08607	3.2
193.12257	3.1
197.13249	3.0
199.14812	8.9
203.10678	2.7
211.13249	4.1
217.15891	9.0
219.10214	4.5
221.11827	4.8
233.18971	5.3
239.17979	7.2
257.19092	13.8
265.43402	2.8
275.20062	100.0
411.25064	3.7
429.22461	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	429.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.7
57.07069	11.0
67.05180	6.1
67.05509	94.7
69.07068	24.0
70.18916	7.5
70.19300	12.4
71.08630	8.3
76.89014	5.2
79.05502	26.8
81.07060	100.0
83.01340	10.2
83.04971	10.1
83.08602	15.6
91.05462	17.7
93.07057	26.7
95.04958	5.7
95.08615	98.0
97.10168	12.2
98.20849	10.6
98.21462	7.7
101.19418	5.6
105.07023	14.2
107.08588	22.7
109.06506	6.8
109.10161	46.7
119.08546	13.4
121.06525	5.5
121.10143	18.0
122.06005	4.6
123.08069	8.8
123.11694	19.0
125.05937	9.9
127.07507	8.4
131.08554	7.7
133.10153	6.8
133.74521	4.9
135.11720	9.8
137.09666	6.9
137.13281	11.4
139.07541	12.3
143.08575	4.7
145.10132	8.8
147.11635	5.8
149.05978	8.6
149.09641	10.1
149.13254	7.3
151.07535	31.4
157.10172	5.8
159.07939	6.3
159.11737	6.2
161.09634	6.2
163.07509	9.8
163.11179	15.6
164.08376	5.4
165.09128	63.2
167.07001	31.0
169.08615	87.2
173.13210	6.1
177.09113	7.9
177.16408	6.3
181.08578	14.6
189.09105	12.2
190.40567	5.9
191.07132	8.3
191.10640	5.9
195.06584	49.4
205.08617	6.8
205.12256	8.6
207.10175	10.2
213.07668	17.4
223.09660	15.9
243.13753	6.0
287.23712	5.5
325.46051	5.2
335.22400	6.4
369.27829	13.9
388.70026	4.6
411.28894	19.3
411.35718	6.1
414.14063	6.4
429.16660	55.5
429.30035	69.9
429.37177	18.3
430.17886	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	429.3
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
51.02385	0.4
53.03942	1.9
55.01870	1.3
55.05251	0.9
55.05511	11.7
57.03413	0.5
57.07070	2.3
65.03945	3.6
66.04739	0.6
67.05505	72.5
68.05828	0.5
68.99806	0.7
69.03432	1.4
69.07068	10.2
69.36716	2.7
69.37127	1.2
71.04987	0.5
77.03934	0.5
79.05492	26.6
81.03433	0.6
81.07057	87.7
82.07401	0.6
83.01342	9.1
83.01799	0.9
83.04971	3.3
83.08619	3.5
85.02939	0.5
85.97838	0.5
91.05477	11.1
93.07047	18.4
95.04987	2.7
95.08606	61.9
97.06530	1.5
97.10169	1.8
98.20641	0.7
98.21231	2.2
99.08073	0.8
100.42338	0.6
105.07027	9.1
107.04947	1.3
107.08598	8.8
109.06519	5.2
109.10158	28.7
111.04430	1.7
111.08099	1.2
111.11720	0.7
117.07030	2.0
119.08585	6.7
121.06493	2.6
121.10152	8.5
123.04446	0.6
123.08080	5.4
123.11707	17.1
125.06009	4.5
127.07554	8.9
129.07014	0.8
131.08560	4.5
133.06467	0.6
133.10139	5.1
135.08061	4.9
135.11707	6.0
137.05965	1.6
137.09596	3.6
137.13261	7.1
138.06766	0.6
139.07542	6.8
143.08559	0.9
145.06427	0.7
145.10135	3.5
147.08031	2.0
147.11703	3.2
149.05974	3.9
149.09628	2.1
149.13246	3.0
151.07542	21.3
151.14822	2.2
152.04698	2.1
153.05446	3.3
154.06244	0.7
155.07054	1.1
157.10172	0.9
159.08051	1.2
159.11713	3.4
161.09645	2.4
161.13268	1.8
163.07553	7.2
163.11243	0.8
163.14827	2.1
164.08308	0.6
165.07039	0.6
165.09116	13.8
165.16452	1.0
167.07051	7.1
168.07771	1.3
169.08601	100.0
170.08980	1.2
171.11696	0.6
173.09671	1.1
173.13260	2.0
175.07539	1.6
175.11256	1.2
175.14886	1.2
177.05461	3.5
177.09119	3.2
177.16345	1.9
179.07092	1.6
179.10635	1.2
181.08589	12.6
181.10184	0.7
187.11172	1.1
187.14847	1.3
187.22548	0.5
187.87103	0.5
188.08337	0.6
189.09116	5.5
191.07022	7.3
191.10695	1.2
192.07843	1.4
193.08614	1.5
195.06532	40.3
195.10226	1.9
196.07120	0.6
201.09128	1.4
203.10753	0.9
205.08577	2.8
207.10153	7.1
209.07962	0.7
210.03163	0.5
211.09586	3.4
213.07582	10.9
213.09491	0.8
215.10590	0.6
217.12268	1.0
217.19464	3.7
218.87619	0.6
219.10223	0.7
219.21066	1.8
223.09642	13.1
223.13052	0.6
227.43663	0.6
229.12364	0.8
231.20996	1.0
233.11700	4.9
235.13281	3.1
237.11230	1.4
241.12144	0.5
243.21075	5.8
245.11668	2.7
247.13370	3.4
249.14813	0.6
251.12753	1.4
259.13269	3.9
261.14838	1.6
261.22171	1.4
265.14349	1.1
273.14902	1.0
275.16498	0.7
277.14389	0.7
279.15912	3.3
287.16492	0.9
289.17795	0.7
291.15894	1.7
293.17374	3.8
299.16183	0.6
301.17932	1.1
304.17853	0.5
305.17484	1.8
307.19052	4.2
313.17831	0.9
315.19357	1.2
317.21121	0.6
319.19000	1.7
321.20709	3.0
327.19427	1.7
329.21268	1.2
333.20648	1.0
335.22244	2.3
341.21027	1.4
347.22147	1.6
349.23792	1.3
355.22543	1.6
363.25311	0.9
365.28555	0.5
373.23959	0.8
393.27844	1.2
411.28976	20.9
412.29099	0.6
429.29990	56.6
430.30475	2.6
433.16400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2636
Annotation	Graviphane
Peak:m/z	Relative Intensity
53.03939	2.2
55.01860	1.5
55.05512	17.2
55.20596	0.5
57.07076	6.9
65.03930	1.7
67.01861	1.7
67.05164	0.8
67.05505	12.8
69.03421	1.1
69.07070	33.1
70.00082	1.9
70.00505	0.9
71.08636	2.6
77.03865	0.6
79.05494	17.3
81.03410	0.6
81.07058	24.5
83.01336	3.8
83.04980	1.0
83.08134	1.0
83.08623	16.9
85.02900	1.0
85.10191	1.2
91.01424	0.5
91.05479	14.5
93.07044	27.8
95.04980	3.1
95.08608	19.5
97.02899	0.8
97.06509	1.9
97.10172	8.1
98.20676	0.5
98.21194	0.9
99.04439	0.6
103.05486	0.8
105.07036	12.6
107.04959	0.8
107.08598	13.5
109.06550	2.8
109.10156	10.8
111.04426	1.3
111.08069	1.0
111.11740	4.6
113.06003	0.6
117.07008	3.3
119.08578	8.1
121.06499	2.9
121.10138	10.1
123.04469	0.6
123.08076	1.4
123.11708	6.4
125.05996	1.8
125.09666	0.6
125.13263	1.4
128.06212	0.7
129.07021	2.1
130.30067	0.6
131.08569	5.7
133.06503	1.5
133.10136	6.8
135.04457	0.6
135.08063	1.9
135.11700	10.4
137.02351	1.0
137.05974	2.9
137.13248	2.9
139.07547	4.3
143.08553	1.9
145.10117	7.7
146.09567	0.5
147.08020	2.0
147.11691	4.7
149.06003	5.4
149.13255	6.6
151.07533	4.7
151.14777	0.8
153.05470	8.3
155.07040	4.6
157.10141	2.7
159.08031	1.0
159.11693	6.1
161.05981	1.8
161.09656	2.9
161.13264	2.6
163.07535	0.9
163.11206	1.2
163.14825	2.7
165.05460	4.2
165.09143	2.7
167.07043	100.0
168.07407	0.9
169.10173	1.1
171.06541	2.8
171.11674	2.2
172.08942	0.6
173.13235	3.8
175.07530	3.9
175.11171	1.0
175.14845	1.8
177.05482	0.8
177.09190	2.5
179.03406	1.4
179.07011	4.1
179.10573	0.6
181.04971	13.8
181.08521	2.5
183.11752	1.0
185.13361	0.8
187.11186	1.3
189.09105	4.6
189.16412	0.6
191.07072	2.4
191.10645	1.5
193.08679	2.8
197.04390	1.2
197.13210	1.1
201.09167	1.0
203.10670	3.0
205.08566	2.9
205.12234	1.8
207.06538	1.4
207.10165	6.2
213.16385	1.2
215.10689	1.4
215.18024	2.3
217.08635	1.4
217.12186	0.8
217.19435	0.8
219.10114	1.4
221.11769	1.8
223.09601	0.7
229.12225	0.7
229.19398	0.8
231.10175	1.0
233.11780	2.3
235.13214	1.3
239.17975	3.0
241.19551	1.6
247.13396	0.9
249.11082	0.8
257.19061	5.2
259.20618	0.7
283.20779	0.6
287.23685	0.7
291.19623	0.6
333.24469	0.7
369.24069	0.7
373.27521	0.7
375.23288	1.2
393.24091	2.8
401.30200	0.5
411.25229	11.0
412.26157	0.6
429.20953	0.8
429.26376	11.8
429.33578	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	429.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36894	0.3
53.03939	0.9
55.05514	2.2
64.41428	0.2
67.05176	0.4
67.05508	5.6
69.07056	1.0
69.71941	1.2
69.72359	0.5
79.05058	0.5
79.05495	9.4
81.07056	5.5
83.01349	0.9
83.04980	0.4
83.08609	0.9
91.05486	2.9
93.07044	7.5
95.04957	1.1
95.08608	3.5
97.02869	1.1
97.06525	1.0
98.20924	0.5
99.08116	0.3
103.16350	0.3
105.07031	2.0
105.36214	0.3
107.04961	0.7
107.08620	1.9
109.06507	0.5
109.10156	1.6
117.07023	0.7
119.08584	1.0
121.10139	4.2
123.08055	0.5
123.11701	0.9
125.05991	1.2
127.45496	0.3
131.08554	1.0
133.10130	1.4
135.04437	0.4
135.11707	1.4
137.05995	2.1
137.13269	0.3
145.10103	0.9
147.08113	0.3
147.11737	0.4
149.13240	0.6
151.07585	0.9
153.05432	1.0
155.07033	9.4
159.11723	0.7
165.09134	0.3
167.07034	0.8
169.08656	1.4
173.13257	0.9
179.03325	0.5
179.07034	0.8
181.04961	100.0
182.05287	1.0
182.64130	0.3
187.14970	0.3
191.06987	0.4
195.06593	0.8
197.08128	2.0
207.10158	0.3
213.07573	0.4
215.17990	1.7
233.08119	1.0
233.18988	0.7
411.25253	7.5
429.30167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89140	0.7
53.03938	1.4
55.01861	0.9
55.05522	4.4
57.07075	1.2
67.01851	1.6
67.05505	15.5
68.99778	1.2
69.03456	1.2
69.07063	3.9
69.95831	3.3
79.05500	9.6
81.03399	0.9
81.07053	15.0
83.08621	1.7
85.06545	0.7
91.05472	5.7
93.07047	11.3
95.04971	1.6
95.08613	13.6
97.02867	0.8
97.06529	0.7
98.21176	2.3
99.04427	0.9
105.07039	4.2
107.08593	6.6
109.06486	0.7
109.10159	5.7
117.06992	1.6
119.08598	3.1
121.10142	5.5
123.11710	2.9
127.03917	12.5
131.08574	2.9
133.10127	3.2
135.07996	0.9
135.11716	4.9
139.03873	2.7
145.10123	2.0
147.11699	1.6
149.13260	3.1
151.03905	1.7
151.07567	2.3
153.01828	100.0
154.02097	1.1
154.47156	0.7
159.11662	1.8
161.13235	1.5
163.14807	1.3
165.01811	4.4
167.03403	1.1
167.07047	1.9
169.04953	3.0
173.13220	2.0
175.14763	0.7
177.84984	0.8
181.04909	4.3
183.02878	2.5
193.04941	1.5
205.05078	1.3
207.06607	2.0
209.99832	0.8
233.11867	0.8
243.21138	1.1
247.09613	0.7
261.22147	5.4
289.14352	0.8
303.15744	0.8
303.23309	1.6
341.17422	0.9
343.19095	0.7
355.19150	1.0
411.25125	13.0
429.25800	3.1
429.29990	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	429.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
55.05503	9.3
57.03426	10.4
65.03945	3.1
67.05510	28.5
69.03453	4.2
69.07058	8.1
70.24372	5.2
70.24734	6.3
79.05498	35.5
81.03450	6.0
81.07059	43.3
83.04995	5.5
83.08627	4.5
91.05488	33.9
93.07053	32.0
95.04957	11.2
95.08617	20.1
97.02931	2.6
97.06553	2.8
98.21075	4.5
99.04462	3.1
105.07040	32.3
107.05000	11.4
107.08594	18.3
109.06503	12.0
109.10143	9.2
117.07007	11.1
119.08624	22.0
121.06538	3.9
121.10140	9.8
123.08044	5.7
123.68249	2.2
126.90605	2.5
131.08575	17.9
133.10146	23.4
135.11673	4.7
137.05983	10.7
143.08499	4.7
145.10146	11.5
147.08070	2.6
147.11703	13.5
149.09607	5.0
149.13268	3.9
153.05498	2.8
155.07042	37.0
159.11710	9.8
166.01118	3.2
167.07063	12.3
173.13289	5.6
181.04974	19.5
185.13293	4.1
193.12270	2.7
203.14381	4.1
219.17445	100.0
219.19595	4.8
239.18027	3.1
247.20689	3.0
275.20087	55.4
324.11771	2.6
354.68530	2.4
429.25824	4.5
429.33588	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	429.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01859	5.1
55.05500	13.8
57.03461	4.2
67.05516	45.2
69.07053	13.2
70.61292	12.5
71.04986	6.5
79.05502	66.6
81.07061	61.8
83.08634	11.9
85.06528	5.9
88.21239	4.6
91.05488	72.5
93.07063	56.7
93.22413	4.3
95.04978	81.5
95.08618	37.3
96.10404	4.2
97.06564	5.4
103.07346	3.8
105.07034	79.0
107.04941	14.5
107.08580	24.5
109.06528	14.1
109.10146	11.0
117.07040	20.6
119.08578	44.5
121.10165	21.3
129.07010	11.0
131.08583	62.7
133.10141	43.7
135.08069	8.3
135.11710	9.5
137.05986	19.5
143.08548	16.0
145.10127	38.2
147.11707	20.8
151.07567	10.5
153.05476	10.9
154.64508	5.8
155.07051	100.0
157.10123	8.7
159.11671	19.6
161.13293	4.5
167.07042	32.6
169.10141	5.8
171.11722	9.2
173.13272	12.2
181.04984	63.1
183.11571	4.6
187.14847	5.3
193.08664	7.1
197.13246	5.4
199.14847	14.6
204.56180	4.4
205.08525	6.2
217.15891	20.0
233.18964	12.8
239.18045	10.4
245.11812	6.7
257.19025	23.7
275.20081	84.0
362.80420	4.8
369.50040	5.0
411.25204	9.5
429.26242	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.8
53.32666	2.2
55.01858	3.7
55.05511	11.1
57.03436	19.2
57.31703	2.1
61.02924	3.0
67.05505	23.3
69.03434	49.1
69.07053	6.9
70.06576	4.3
70.96273	5.0
70.96627	3.8
71.04989	10.6
73.04746	3.3
79.05505	22.8
81.03419	100.0
81.07062	27.9
83.04995	23.0
83.08623	24.3
85.02910	26.6
89.06037	2.4
91.05466	27.4
92.15175	2.4
93.07059	17.5
95.04967	22.7
95.08595	11.0
95.67554	2.3
97.02893	56.7
97.06561	5.2
97.10172	3.4
99.04460	10.1
105.07037	18.3
107.04959	8.7
107.08624	6.9
109.02882	19.6
109.06514	5.6
109.10165	5.6
111.04443	9.6
111.08086	10.8
113.03516	2.6
115.05470	3.2
117.06981	3.4
119.08586	14.4
119.55833	2.4
121.02873	2.5
121.06501	4.6
121.10152	10.7
123.08076	4.0
123.11720	5.0
123.70580	2.3
125.09641	4.5
127.03931	25.1
129.05502	5.7
129.06999	9.1
130.08635	4.9
131.08557	11.9
133.06563	4.0
133.10147	11.3
133.58568	2.4
135.08075	3.5
137.05994	4.2
142.07822	2.9
143.08553	4.2
145.06590	2.9
145.10194	4.9
147.04404	2.6
147.08057	3.9
147.11702	19.1
149.09657	8.2
153.01852	5.5
153.12741	2.6
155.08452	2.3
157.10127	12.8
163.11290	4.4
165.12701	4.1
167.05615	3.2
175.11153	13.6
183.06566	5.2
191.10692	5.2
193.12247	60.2
211.11319	5.0
211.13309	98.8
215.75146	2.2
217.12213	2.4
227.12692	4.7
229.14400	4.3
249.14972	9.9
267.15967	8.1
273.14825	2.6
285.16901	15.2
313.16644	2.5
337.16354	3.2
355.17526	4.7
359.02991	3.6
363.26941	2.3
411.20224	4.3
429.08200	4.0
429.15701	5.3
429.21243	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05915	6.6
50.60888	8.0
51.61578	6.6
51.71047	6.4
53.03938	11.8
55.05510	22.8
57.03424	9.5
57.07074	13.2
65.03929	8.0
67.05510	70.7
68.10526	8.4
69.03439	18.8
69.07053	31.5
71.04980	9.2
76.43604	7.4
77.21011	7.9
78.34147	7.1
79.05492	67.9
80.05282	7.0
81.03389	17.1
81.07056	88.8
83.01334	9.6
83.04978	18.0
83.08624	11.6
83.26165	7.4
85.06528	13.6
87.51823	7.3
91.05463	89.5
91.05897	7.1
93.07042	89.6
95.04970	44.8
95.08615	68.1
97.06549	11.2
98.21216	37.1
98.98479	34.0
105.07044	95.1
107.04939	17.3
107.08594	48.1
109.06538	14.4
109.10181	37.9
111.04430	8.0
117.07007	25.4
119.08582	66.3
121.06526	12.1
121.10123	37.5
123.08072	16.1
123.11742	13.0
127.03996	7.0
131.08585	77.3
133.10149	55.5
135.08006	13.5
135.11684	32.0
137.05992	29.9
137.09560	7.8
139.07452	8.2
143.08540	14.8
145.10115	55.2
147.08049	12.6
147.11717	35.1
149.02348	8.6
149.13261	18.6
151.07547	52.1
153.01797	9.2
153.05446	19.8
155.07025	100.0
157.10138	20.5
159.08101	8.9
159.11717	43.1
161.09637	12.2
161.13330	16.0
163.11243	8.0
165.09096	14.6
167.03462	9.0
167.07036	51.7
169.10187	10.8
171.11658	17.2
173.13223	18.4
175.14832	11.8
181.04961	92.6
183.11671	10.7
185.13313	16.3
187.14850	12.1
191.07068	12.9
191.10637	9.8
193.12238	13.2
199.14815	30.8
205.08629	16.4
209.08212	8.3
213.16420	8.6
215.17943	16.4
217.15932	15.3
219.17450	10.1
233.18987	13.5
239.17912	12.8
257.19064	33.2
275.20105	79.0
303.23227	10.4
330.21841	8.2
411.25491	17.1
429.21259	11.7
429.26294	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01867	6.0
55.05511	19.0
57.03451	4.9
59.44348	3.9
67.05508	34.5
69.03431	6.8
69.07072	10.9
69.73135	15.3
69.73550	9.6
71.04996	6.2
79.05499	64.9
81.07058	55.4
83.08605	8.0
85.06525	9.4
86.49477	4.0
91.05480	61.5
93.07050	48.6
95.04970	72.4
95.08618	30.3
97.06535	8.1
105.07037	74.2
107.04910	10.6
107.08578	26.2
109.06538	14.7
109.10180	4.1
117.07017	18.4
119.08572	39.8
121.06557	5.4
121.10168	15.1
123.11788	4.6
129.07047	9.0
131.08577	34.4
133.10136	44.6
135.08095	10.0
135.11728	8.6
137.05978	27.6
137.09712	5.7
143.08574	9.5
145.10129	35.3
147.08101	6.5
147.11703	24.8
149.09523	7.8
151.07524	8.1
153.05487	7.3
155.07036	100.0
155.08365	7.0
157.10155	17.3
159.11674	22.4
161.13397	5.3
163.14754	4.7
165.09171	5.2
167.07036	26.4
169.10149	5.8
171.11670	6.1
172.63582	4.3
173.13293	10.2
175.11154	5.3
175.14865	8.2
181.04964	60.2
181.08493	5.1
183.11673	5.3
185.13313	6.1
193.08604	5.5
197.13246	5.1
199.14803	21.3
205.08568	7.3
217.15865	20.1
233.18944	9.1
239.17937	8.7
257.18951	24.4
275.20047	67.2
276.21030	4.6
322.58441	4.6
411.25525	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
53.96414	2.2
55.01865	5.8
55.05518	17.3
56.54804	2.5
57.03436	19.9
59.05037	2.4
64.86203	2.4
66.89985	2.4
67.05513	20.8
69.03437	33.6
69.07063	7.9
71.04987	7.2
71.57095	2.7
71.72865	2.6
73.06542	2.7
79.05486	21.7
81.03419	99.1
81.07058	31.3
83.04987	27.1
83.08626	22.1
85.02917	29.7
85.06555	2.6
87.04462	2.9
91.05453	27.7
93.07048	20.2
95.04962	27.0
95.08595	10.4
97.00323	2.6
97.02898	50.8
97.06546	4.9
97.10178	3.6
97.74203	2.6
99.04455	9.5
103.03934	3.8
105.07059	17.4
107.04964	8.6
107.08586	9.3
109.02905	14.4
109.06546	4.0
109.10144	3.1
111.04426	11.4
111.08057	13.0
113.06004	2.7
119.04952	2.5
119.08587	16.9
121.02055	2.7
121.06528	5.8
121.10151	16.2
123.04408	3.1
123.08073	4.8
123.11739	3.4
125.09625	3.1
127.03918	22.2
129.05472	6.8
129.07014	8.1
131.08553	8.0
133.06480	4.6
133.10118	14.0
135.08026	2.9
145.10150	3.4
147.11671	22.3
149.09636	8.6
151.07605	2.5
153.01913	2.7
157.10130	13.5
159.11729	2.4
163.11171	3.4
165.12692	5.4
167.02812	3.8
175.11168	19.7
181.12263	2.8
183.06526	3.8
193.12254	57.2
211.13307	100.0
227.12770	3.4
229.87860	2.6
235.13341	3.5
249.14871	9.0
267.15939	10.3
273.15079	3.5
285.16956	20.3
355.17609	4.3
397.00592	2.5
411.20056	6.0
416.08551	2.9
429.08463	3.4
429.21472	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.01858	3.6
55.05510	13.3
57.03441	12.5
59.04996	1.6
60.57215	1.2
66.83755	1.3
67.05506	16.1
69.03069	2.4
69.03429	36.7
69.07053	4.8
70.01437	5.4
71.04996	6.5
73.02921	1.8
77.26588	1.3
79.05488	15.5
81.03415	79.0
81.07059	17.7
83.01341	2.0
83.04977	25.2
83.08622	21.4
85.02907	22.7
87.04442	2.3
91.05465	19.3
93.07041	13.9
95.04977	19.6
95.08599	9.9
97.02890	51.1
97.06522	3.7
97.10155	4.4
98.20830	2.4
99.04448	6.9
105.07034	16.4
107.04971	5.0
107.08603	10.9
109.02876	14.8
109.06538	2.8
109.10165	4.6
111.04427	9.2
111.08079	10.3
113.05982	1.6
117.07013	2.4
119.08567	13.8
119.41093	1.3
121.10151	8.5
123.08086	2.0
125.05911	1.7
125.09597	2.4
127.03921	12.9
129.05504	7.3
129.06992	4.9
131.08551	9.0
133.10138	8.5
135.11690	4.0
137.09653	1.8
145.10126	1.9
147.08029	2.1
147.11667	12.8
149.09625	4.6
151.07510	1.5
153.12808	1.6
155.05858	1.3
155.07031	5.2
157.10106	9.0
163.11128	2.7
164.15024	1.4
165.12785	3.3
165.14468	1.6
167.07132	2.0
175.11168	12.6
181.12254	3.7
183.06514	2.0
187.14825	1.4
191.10674	3.9
193.12244	50.9
211.13293	100.0
212.13716	2.6
225.13449	1.3
227.12823	3.9
229.14444	3.5
249.14865	4.7
253.27602	1.4
275.19989	3.8
285.16949	6.4
337.16373	1.9
355.17484	6.7
410.90137	1.4
411.20157	1.9
429.21228	57.2
429.31097	2.9
429.36725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05508	19.6
57.07061	12.0
60.38395	5.5
61.68708	5.8
67.05519	33.2
69.07073	73.4
70.47954	13.1
70.48349	13.7
71.08604	8.0
79.05487	20.3
81.07056	84.4
83.08608	26.1
91.05482	14.2
93.07040	24.1
95.08611	100.0
97.10162	14.0
98.21070	13.7
105.07027	16.1
107.06272	5.6
107.07980	6.1
107.08603	41.1
109.10165	60.4
111.11738	38.9
111.69918	6.3
119.08580	18.1
121.10163	33.0
123.11729	32.9
131.08534	5.9
133.10094	9.8
135.11700	28.7
137.13228	15.6
147.11655	11.8
149.13277	22.8
151.14977	7.2
155.61000	6.1
161.13327	16.1
163.14812	17.8
165.09143	7.9
175.14822	8.2
177.16360	16.9
189.16382	8.5
191.17986	9.6
203.12793	20.4
203.17961	9.1
285.25836	6.1
401.30084	6.3
409.38223	18.5
427.39545	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01853	1.4
55.05512	11.9
57.03444	4.4
59.79140	1.0
61.02916	2.5
69.03433	13.3
70.02950	1.8
70.03346	2.3
71.04996	2.3
73.02911	2.3
73.06557	100.0
81.03413	7.6
83.04980	10.5
85.02907	30.2
85.03420	1.4
89.06026	2.0
91.07587	2.9
93.13332	0.9
97.02899	40.5
98.20779	1.3
99.04488	2.2
101.02388	1.5
101.06014	12.2
102.17824	0.9
109.02889	9.5
112.95419	0.8
113.02396	1.0
119.07057	16.1
123.04488	1.4
125.91276	1.0
127.03927	26.8
137.05882	1.0
139.03912	2.0
145.04961	21.7
147.68074	0.9
149.04482	8.0
153.01846	6.8
153.94566	1.0
154.02151	1.6
158.48354	0.9
163.06013	3.6
167.05519	1.1
177.05377	1.1
177.09160	0.9
199.09668	9.6
208.09702	1.3
235.11667	3.6
245.10193	13.6
248.12784	1.8
263.11407	4.8
266.07449	4.6
266.13828	3.5
428.03278	2.5
428.19193	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06983	1.0
53.03944	10.5
55.01870	5.0
55.05515	13.5
57.03436	15.5
58.68916	1.1
61.02920	1.8
65.03923	1.4
67.05219	1.4
67.05514	15.2
69.03074	1.7
69.03433	31.8
69.07079	6.5
69.53564	8.7
71.01347	1.5
71.05005	9.6
71.49290	1.3
73.02940	1.4
79.05495	15.7
81.03422	80.5
81.07058	21.9
83.04987	23.6
83.08623	18.3
85.02914	23.9
85.06539	2.6
87.04446	1.7
91.05462	17.1
93.07047	14.2
95.04976	21.3
95.08608	10.9
97.02898	55.8
97.06513	5.1
97.10163	3.8
98.90939	1.1
99.04455	7.5
99.08102	1.3
105.07027	14.2
107.04950	5.1
107.08601	10.3
109.02899	13.9
109.06511	3.4
109.10155	5.1
111.04432	8.7
111.08089	9.0
111.45043	1.4
113.06013	1.5
115.05437	1.3
117.07004	3.9
119.08600	15.0
121.06499	2.7
121.10149	9.4
123.08073	3.4
123.11684	3.3
125.05993	2.6
125.09619	2.4
127.03928	12.0
129.05498	6.0
129.07022	8.7
131.08559	10.3
133.06511	1.4
133.10139	6.4
135.08057	2.2
135.11676	2.0
137.05971	5.0
137.09584	3.2
142.07776	2.8
144.17116	1.1
145.04961	1.9
145.10126	3.0
147.08028	3.1
147.11705	12.0
149.09621	6.2
149.13271	1.4
151.07542	14.0
153.12775	2.3
157.10147	9.3
161.13281	1.7
163.07645	1.2
163.11215	4.2
165.12766	3.9
167.07037	1.7
173.13203	1.2
175.11177	12.8
177.09071	2.4
181.12251	2.7
183.06407	1.3
185.13358	1.3
189.11180	1.3
189.12825	1.4
191.10666	7.0
193.04893	1.5
193.12250	57.1
211.13304	100.0
217.12498	1.3
227.12738	5.2
229.14304	3.0
239.51540	1.1
249.14864	6.5
265.14484	2.1
267.16037	2.1
285.17023	7.5
337.16568	1.7
355.17560	5.9
426.27933	1.4
429.11966	2.7
429.21191	56.5
429.30145	4.3
430.21686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
51.69836	0.7
53.03947	2.0
54.40105	0.7
55.05507	7.3
55.48959	0.8
57.03426	2.2
57.07067	3.1
63.47223	0.8
65.03950	0.8
67.05502	14.3
69.03419	2.0
69.07070	11.8
70.14849	1.3
70.15261	2.5
71.04987	1.3
72.27389	0.8
77.03934	0.9
79.05488	12.5
79.88017	0.8
81.03410	3.9
81.06566	1.6
81.07055	25.0
83.01342	1.3
83.04961	2.3
83.08617	6.3
85.02937	1.4
85.06531	2.0
91.05474	12.7
93.07040	23.3
95.04955	4.0
95.08607	35.8
96.08928	0.9
97.02889	1.8
97.06531	2.3
97.10162	3.1
98.21287	1.4
105.07026	18.4
107.04984	1.2
107.08593	31.1
108.08953	0.7
109.06527	4.6
109.10155	17.5
111.08119	2.0
111.11713	0.9
117.07001	3.5
119.08578	23.0
121.06519	2.2
121.10144	26.4
123.08065	5.6
123.11690	6.9
127.03852	0.7
129.07063	1.2
131.08577	9.9
133.06476	0.7
133.10126	17.7
133.11075	1.2
135.08038	3.7
135.11696	22.8
137.05986	1.3
137.09612	2.7
137.13261	3.0
139.07587	1.0
142.07727	0.9
143.08569	3.8
144.09247	1.0
145.10130	11.0
147.08055	1.1
147.11690	18.2
149.05962	1.3
149.09644	2.7
149.13251	12.7
151.07584	2.8
151.11192	2.1
151.14780	1.3
152.51820	0.7
153.05473	1.4
153.09171	1.0
155.07095	2.9
155.08537	0.8
157.10098	4.1
157.86829	0.7
159.08018	1.0
159.11685	9.3
161.09615	1.5
161.13242	10.0
163.11234	1.4
163.14809	12.9
165.05498	0.9
165.09125	3.1
165.12811	1.9
167.07053	13.6
169.10159	1.0
171.11717	2.6
173.09633	1.6
173.13225	5.6
175.11185	0.8
175.14832	6.4
177.09224	0.9
177.12767	1.7
177.16380	9.8
179.14330	2.0
181.04990	5.4
181.12221	1.2
185.13257	2.9
187.11176	0.9
187.14798	12.8
188.51517	0.7
189.12817	1.0
189.16382	26.2
191.10567	1.0
191.14288	1.0
191.17944	5.1
195.13881	0.9
199.14824	1.6
201.16400	5.9
203.17964	7.0
205.08606	1.1
205.15871	50.2
207.17442	26.6
209.11774	0.9
213.16449	1.4
215.17957	5.1
217.19574	2.7
219.17493	4.3
227.18073	1.7
229.19473	3.8
231.21100	1.5
235.20555	1.0
241.19551	2.1
243.21078	1.6
255.21021	4.7
257.22574	1.1
269.22601	2.1
273.18643	0.9
324.32562	3.6
325.82797	0.8
331.26251	4.7
357.27856	1.6
371.93668	1.0
391.22751	0.8
391.33713	3.2
409.23709	2.1
409.34711	11.4
427.19592	2.5
427.24539	3.7
427.35760	100.0
428.36292	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05509	15.8
55.09821	2.8
55.83434	3.0
57.03451	2.8
57.07071	4.0
58.16080	2.3
63.45741	2.6
65.03944	3.1
67.05506	31.6
68.10629	2.5
69.03447	3.7
69.07063	23.6
69.75217	14.8
79.05496	28.8
81.07060	61.2
83.04982	5.5
83.08614	8.9
91.05485	31.3
93.07048	49.3
95.04969	3.7
95.08609	100.0
97.06531	3.0
97.10186	4.9
98.21175	8.6
105.07026	57.8
107.08595	77.4
109.06491	14.3
109.10155	57.2
111.08076	5.7
117.07030	11.7
119.08582	64.1
121.06496	7.5
121.10148	59.7
123.08035	10.1
123.11706	15.5
129.07019	4.6
131.08598	22.6
133.10123	41.4
135.08061	9.2
135.11699	40.3
137.05977	4.5
137.13228	4.0
143.08546	8.6
145.10121	22.5
147.11702	38.1
149.09576	4.5
149.13272	35.2
151.07596	4.0
151.11258	3.4
153.01833	7.1
155.07034	8.1
155.08528	3.4
157.10106	5.7
159.11688	22.2
161.09627	5.8
161.13257	31.2
163.11224	4.6
163.14830	28.2
165.12793	3.8
167.07088	16.0
171.11719	5.8
173.13297	12.8
175.14851	34.0
177.12706	4.8
177.16380	27.3
178.16714	3.2
179.07047	9.0
181.05009	7.2
183.11705	3.9
185.13191	6.0
187.14793	19.5
189.16383	22.6
191.07108	2.8
191.14305	5.0
191.17921	13.9
199.14868	5.3
201.16415	12.7
203.17944	50.1
205.08655	3.8
205.15868	41.1
207.17471	11.5
213.16414	5.6
215.17973	7.8
217.19452	6.9
219.17476	4.6
223.16985	9.7
227.17996	6.5
229.19579	4.0
231.17487	5.0
231.21164	3.9
239.17999	2.8
241.19447	4.8
245.19167	2.6
255.21078	3.5
257.22650	5.6
271.24146	2.8
273.18497	9.2
295.24316	4.3
304.08691	3.3
313.25171	10.9
331.26300	15.6
338.94659	3.3
357.27777	3.5
391.22693	4.0
391.33722	6.1
409.23718	15.7
409.34714	19.1
427.24536	14.9
427.35953	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05509	15.8
55.09821	2.8
55.83434	3.0
57.03451	2.8
57.07071	4.0
58.16080	2.3
63.45741	2.6
65.03944	3.1
67.05506	31.6
68.10629	2.5
69.03447	3.7
69.07063	23.6
69.75217	14.8
79.05496	28.8
81.07060	61.2
83.04982	5.5
83.08614	8.9
91.05485	31.3
93.07048	49.3
95.04969	3.7
95.08609	100.0
97.06531	3.0
97.10186	4.9
98.21175	8.6
105.07026	57.8
107.08595	77.4
109.06491	14.3
109.10155	57.2
111.08076	5.7
117.07030	11.7
119.08582	64.1
121.06496	7.5
121.10148	59.7
123.08035	10.1
123.11706	15.5
129.07019	4.6
131.08598	22.6
133.10123	41.4
135.08061	9.2
135.11699	40.3
137.05977	4.5
137.13228	4.0
143.08546	8.6
145.10121	22.5
147.11702	38.1
149.09576	4.5
149.13272	35.2
151.07596	4.0
151.11258	3.4
153.01833	7.1
155.07034	8.1
155.08528	3.4
157.10106	5.7
159.11688	22.2
161.09627	5.8
161.13257	31.2
163.11224	4.6
163.14830	28.2
165.12793	3.8
167.07088	16.0
171.11719	5.8
173.13297	12.8
175.14851	34.0
177.12706	4.8
177.16380	27.3
178.16714	3.2
179.07047	9.0
181.05009	7.2
183.11705	3.9
185.13191	6.0
187.14793	19.5
189.16383	22.6
191.07108	2.8
191.14305	5.0
191.17921	13.9
199.14868	5.3
201.16415	12.7
203.17944	50.1
205.08655	3.8
205.15868	41.1
207.17471	11.5
213.16414	5.6
215.17973	7.8
217.19452	6.9
219.17476	4.6
223.16985	9.7
227.17996	6.5
229.19579	4.0
231.17487	5.0
231.21164	3.9
239.17999	2.8
241.19447	4.8
245.19167	2.6
255.21078	3.5
257.22650	5.6
271.24146	2.8
273.18497	9.2
295.24316	4.3
304.08691	3.3
313.25171	10.9
331.26300	15.6
338.94659	3.3
357.27777	3.5
391.22693	4.0
391.33722	6.1
409.23718	15.7
409.34714	19.1
427.24536	14.9
427.35953	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15289	1.1
53.03942	3.2
55.05516	8.7
57.03432	1.7
57.07069	4.4
57.77739	1.1
65.03931	2.5
65.85934	1.3
67.05505	19.8
69.03424	3.2
69.07071	16.2
69.07414	1.8
70.01863	4.5
70.02255	2.1
71.04992	2.3
71.08621	1.6
76.91911	0.9
77.03940	1.0
79.05492	16.3
81.03423	5.9
81.07062	38.1
82.07355	1.6
83.01350	1.8
83.04994	4.0
83.08636	8.1
85.02914	1.9
85.06528	2.4
91.05486	15.9
93.07046	29.8
95.04984	4.2
95.08611	43.0
96.08948	2.2
97.02911	2.9
97.06540	3.8
97.10172	4.1
98.16106	1.1
103.05494	1.2
105.07032	23.5
107.04957	2.2
107.08598	42.0
109.02884	1.4
109.06512	5.2
109.10160	20.4
109.10913	1.2
111.08104	3.2
111.11736	1.5
117.07049	6.1
119.08582	29.3
119.09450	1.4
121.06538	2.9
121.10149	28.7
123.08083	5.9
123.11716	7.7
125.05995	1.9
125.09643	1.8
127.03919	2.4
129.07028	3.5
131.08565	12.7
133.06456	1.2
133.10139	22.9
135.08099	4.4
135.11691	24.7
137.09625	2.1
137.13295	4.7
143.08589	3.5
145.06543	1.5
145.10124	15.5
147.08031	2.6
147.11688	21.2
149.06039	1.6
149.09660	2.9
149.13257	16.4
151.07602	3.1
151.11214	2.4
153.01863	1.6
153.05457	2.5
153.12697	1.5
155.07053	3.1
157.10159	4.1
159.11679	11.1
161.09639	2.3
161.13281	10.6
163.07568	1.4
163.11220	2.7
163.14821	15.4
165.09146	9.7
165.12804	2.1
167.07047	21.2
167.08395	1.8
169.10135	1.2
171.11726	3.6
173.09747	1.1
173.13263	5.3
175.11295	2.5
175.14874	8.2
177.16400	10.4
181.04938	7.4
181.08572	1.4
181.12352	1.1
185.13342	2.4
187.14825	13.3
189.09204	1.2
189.16386	28.2
191.07013	1.4
191.10664	1.3
191.14288	1.4
191.17993	6.7
193.04979	1.3
197.13307	2.0
199.14870	3.3
201.16452	7.3
203.18007	4.1
205.15877	53.1
206.16290	1.2
207.17461	32.6
207.19391	2.0
209.08040	1.2
213.16466	2.6
215.18019	6.5
217.15991	1.6
217.19638	3.1
219.17511	4.2
227.18077	2.7
229.19626	3.0
233.11821	1.4
241.19611	2.1
243.21089	1.4
255.21219	3.2
269.22827	3.0
273.18555	3.4
273.22156	1.3
287.23828	1.3
324.32538	5.5
330.00778	1.2
331.26447	4.7
357.28110	2.2
381.56259	1.1
391.33481	2.0
409.23654	3.7
409.34836	11.3
427.19617	5.7
427.24954	8.2
427.35849	100.0
428.36203	2.5
449.07205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.05514	15.7
57.07082	11.4
62.61440	1.3
63.46695	1.3
67.05509	11.3
69.07070	28.0
69.50381	1.7
69.53520	10.7
71.08620	5.8
77.03943	1.4
79.05482	6.9
81.07063	21.5
83.04964	4.0
83.08625	14.7
85.06541	1.9
85.10196	1.7
91.05476	6.3
93.07036	14.5
95.08621	23.7
97.10178	8.6
98.20905	4.2
98.21498	2.4
105.07035	11.2
107.08601	18.5
109.06555	2.9
109.10155	19.2
111.08120	1.9
111.11740	3.1
117.07047	1.7
119.08598	14.1
121.10141	15.6
122.07304	1.9
123.08075	3.0
123.11691	8.1
131.08565	3.5
133.10120	7.0
135.08086	7.6
135.11697	11.8
137.09622	11.9
137.13289	3.2
139.07600	2.0
143.08595	2.4
145.10121	4.1
147.08061	1.4
147.11688	4.2
149.09625	23.9
149.13226	6.9
151.07541	2.1
154.46527	1.4
157.10092	1.8
159.11732	6.7
161.13281	3.9
163.11212	6.0
163.14708	2.1
165.09123	100.0
167.07051	1.8
173.09514	1.5
173.13289	4.1
175.07599	2.4
175.11162	3.2
175.14824	4.6
176.08305	2.8
177.09140	5.3
177.12784	2.5
177.16393	10.0
185.13306	2.2
187.14842	2.8
189.09074	3.4
189.12650	2.5
189.16371	2.7
190.09879	1.7
191.10670	6.7
199.11198	3.0
201.12721	2.0
201.16431	2.3
203.10704	9.4
203.14456	3.0
203.17967	1.8
205.12306	10.9
215.17934	1.7
217.12158	2.7
219.13890	3.9
219.17471	4.0
229.19695	1.8
231.13857	3.0
245.15372	2.5
255.21048	2.8
273.22189	6.0
345.27963	2.2
368.27695	1.7
409.34528	2.3
423.91791	1.6
427.14908	3.1
427.19714	4.0
427.35727	99.0
428.16159	2.1
428.36316	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	427.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01877	12.2
55.05516	100.0
55.83102	2.0
57.03445	20.0
59.05007	2.4
65.03947	2.7
67.05510	37.4
69.03432	14.1
69.07076	19.0
69.56681	7.2
69.57095	8.0
71.04989	9.8
77.01895	2.3
79.05496	74.4
81.03424	81.9
81.07061	50.0
83.04986	22.1
83.08625	54.1
83.36935	2.1
83.96722	2.2
85.02492	2.4
85.02911	27.4
85.06535	4.5
91.04964	3.3
91.05483	34.2
93.07043	22.4
95.04977	35.2
95.08630	21.1
97.02896	7.0
97.06525	6.2
97.10174	49.7
98.20891	5.6
98.21473	3.3
99.04441	2.9
99.08091	3.4
101.09657	2.7
105.07030	27.3
107.04954	7.4
107.08603	40.8
109.02909	2.6
109.06502	6.0
109.10142	9.6
111.04470	5.4
111.08078	12.4
115.05511	3.0
117.07007	5.1
119.08585	24.4
121.06485	4.6
121.10157	13.7
123.08080	9.5
123.11678	4.1
125.09643	43.8
129.07016	12.7
131.08582	13.9
133.06519	2.6
133.10136	12.8
135.08104	3.1
135.11754	4.0
137.05972	4.4
137.09608	2.6
138.06189	2.3
142.07712	3.3
143.10677	8.3
145.10103	5.3
147.11681	19.8
149.09669	6.8
151.06424	2.8
151.07556	35.4
157.10144	15.0
159.11818	2.8
163.11195	3.5
165.09114	2.0
165.12762	5.1
173.09549	2.3
175.11180	19.6
177.09166	3.0
181.12254	3.1
189.09344	2.2
191.10696	5.2
193.12260	90.0
199.13281	17.7
211.13295	74.1
217.12578	2.1
217.14359	12.1
227.12694	3.7
245.71663	2.3
246.45644	2.4
267.15881	18.3
273.18393	2.8
285.16898	11.7
303.63739	2.8
317.21194	4.5
335.22095	10.5
341.31317	2.3
398.93869	2.3
409.25739	18.0
427.19815	6.6
427.27017	61.8
427.32214	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	427.2844
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.03934	1.9
55.01873	1.1
55.05509	5.0
56.59766	0.7
57.07080	1.9
61.66107	0.9
65.03925	0.8
67.05505	19.6
69.03416	1.0
69.07063	6.3
69.53356	1.1
69.53768	4.5
69.81261	0.7
71.04990	0.9
79.05494	15.6
81.07059	31.3
83.01352	8.9
83.04971	2.6
83.08614	3.5
85.06553	1.4
91.05483	13.2
93.07050	18.0
95.04964	1.5
95.08611	15.2
97.06517	2.6
97.10126	0.9
98.21255	3.0
99.08075	1.3
105.07035	7.9
107.08591	10.0
109.06538	7.8
109.10143	7.1
111.04435	2.4
111.08125	1.5
117.07021	3.5
119.08553	6.9
119.18774	0.8
121.06519	1.7
121.10161	6.2
123.08058	2.4
123.11702	3.4
125.05984	4.7
125.09541	0.8
127.07568	12.0
129.06987	1.6
131.08557	4.4
133.10104	4.7
135.08028	1.6
135.11694	3.5
137.09654	1.0
137.13313	1.3
139.07545	3.0
143.08559	1.6
145.10095	2.6
147.08018	1.8
147.11665	2.7
149.06012	5.7
149.09593	1.6
149.13242	2.2
151.07547	5.4
151.14777	1.1
152.04712	3.1
153.05438	3.9
153.09084	1.2
157.10130	1.5
159.08141	1.2
159.11673	1.4
161.13243	2.0
163.07581	1.3
165.09140	2.8
167.07022	11.6
169.08601	10.2
171.11638	0.9
175.07527	1.7
175.11212	0.8
175.14862	1.6
177.05507	4.5
177.09154	1.3
179.06953	0.8
181.05011	2.2
181.08601	2.9
185.09621	0.9
185.13274	1.1
189.09175	1.7
189.16534	0.9
191.07036	1.6
193.08589	1.8
195.06535	37.4
201.09128	1.2
203.10660	1.5
205.08656	3.3
207.10147	1.5
213.07562	11.5
215.17937	1.0
217.19614	0.9
219.10194	0.8
223.09610	4.6
231.10181	1.1
243.20700	0.9
262.20056	0.9
273.14969	0.9
281.71866	0.8
310.11740	0.8
325.51724	0.8
365.63828	0.8
409.23434	2.0
427.28436	100.0
428.28738	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	427.2845
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.03939	7.0
55.05505	10.7
57.07064	3.4
67.05506	35.6
69.03407	3.4
69.07066	8.2
69.57358	20.9
79.05060	4.6
79.05492	60.7
81.07055	57.4
83.01336	8.7
83.08596	7.1
90.96612	2.6
91.05487	37.3
93.07043	91.3
95.04965	7.8
95.08606	30.6
97.06531	3.0
98.20877	6.0
105.07035	22.8
107.08601	48.2
109.06513	6.8
109.10158	10.7
117.07041	5.7
119.08594	13.6
121.06505	5.9
121.10148	38.8
121.63415	2.6
123.08104	5.4
125.05983	3.4
127.07579	8.2
128.31602	2.6
131.08589	7.4
133.10156	14.1
135.08034	7.5
135.11693	41.4
139.07495	4.7
143.08571	3.8
145.10092	7.5
147.08115	3.9
147.11681	7.2
149.06018	4.8
149.13271	28.8
151.07542	26.7
152.04620	3.3
153.05444	4.2
157.10081	3.8
159.11668	7.8
161.09537	3.2
161.13268	9.3
163.07544	6.5
163.14807	10.2
165.09103	10.5
167.07056	12.1
168.07750	2.9
169.08603	89.6
169.10071	4.5
171.11754	4.1
173.13239	3.9
175.14819	8.2
177.05493	3.3
177.09093	3.2
181.05128	3.3
181.08574	11.6
185.13248	3.9
191.06915	5.1
193.08585	4.5
195.06534	48.6
199.14856	3.2
207.10210	4.4
211.09625	4.0
213.07610	9.7
215.17969	5.0
217.19502	6.5
223.09622	14.2
233.11710	10.3
235.13300	2.9
241.19460	9.2
247.13284	12.0
259.13278	6.8
259.20596	5.5
293.17587	3.8
409.27362	37.2
427.28442	100.0
428.28860	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	427.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01862	5.6
55.05514	12.9
57.03429	1.8
57.07072	2.9
65.03938	2.7
67.01842	2.3
67.05168	3.2
67.05508	35.1
69.03436	1.8
69.07066	19.1
69.53564	9.7
69.53976	3.6
79.05051	3.1
79.05496	48.8
81.03452	4.5
81.07059	100.0
83.01341	27.1
83.04974	5.7
83.08613	6.5
85.06533	2.4
87.52062	1.7
89.16629	1.5
91.05481	35.6
93.07051	33.0
95.04977	11.8
95.08608	34.4
97.06515	6.3
97.10170	2.7
98.21063	7.1
103.05470	2.6
105.04510	3.0
105.07032	25.5
105.53371	1.8
107.04962	4.6
107.08600	19.9
107.54823	1.7
109.06507	14.1
109.10171	20.9
111.04427	2.1
111.08110	3.0
111.11726	2.6
115.05446	3.2
117.07014	10.3
119.08571	21.4
119.73432	1.7
121.06507	9.9
121.10163	11.8
123.08067	7.3
123.11693	9.7
125.06015	2.7
128.06256	3.7
129.07007	6.0
130.07779	3.2
131.08565	18.0
133.06482	3.1
133.10127	17.4
135.08063	8.0
135.11687	8.0
137.05980	5.4
137.09633	3.6
137.13321	4.0
139.07529	5.2
141.06920	2.2
142.07802	3.2
143.08594	8.3
145.06531	3.3
145.10147	12.6
147.08034	6.2
147.11697	11.3
149.05998	2.0
149.09618	9.7
149.13252	3.8
151.07532	8.3
153.05505	12.2
155.07050	17.1
155.08316	3.0
157.10092	9.5
159.08052	3.5
159.11693	9.0
161.09595	6.2
161.13272	3.2
163.07527	3.8
165.05579	2.8
165.09111	29.6
167.07047	96.8
169.10138	4.3
171.11717	5.2
173.09532	4.2
175.07561	4.6
175.11194	7.2
175.14738	2.2
177.05444	2.7
177.09106	6.9
179.03401	4.3
179.07022	3.5
179.10687	2.8
181.04970	62.7
181.08510	3.5
181.10141	2.3
183.11687	3.9
185.09747	2.5
185.13274	3.0
187.07394	2.0
187.11241	3.9
189.09073	5.7
189.12697	2.5
189.16498	2.5
191.07048	6.6
192.07840	2.0
193.05026	2.5
193.08638	6.5
193.54648	1.8
195.11734	2.2
201.09036	3.2
203.10788	2.3
203.17952	2.5
205.08615	6.2
205.12373	2.4
207.06337	2.6
207.10092	2.8
211.11263	2.7
213.12723	2.1
215.10594	2.4
217.08630	2.7
217.12170	1.8
219.10037	2.8
221.11790	2.1
227.17944	2.2
231.10225	2.2
233.11749	5.0
273.18515	6.5
325.21884	3.2
331.19061	4.0
353.21262	2.6
359.25812	1.9
363.23184	3.4
373.21747	2.4
381.24173	3.9
391.22675	5.0
409.23581	10.3
427.24823	55.9
427.31775	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	427.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89087	2.2
53.03929	7.7
53.58206	2.0
55.01861	7.7
55.05515	19.4
57.03421	3.6
57.72116	2.4
60.75601	2.2
63.85045	2.5
65.03948	2.6
67.05170	3.8
67.05508	48.7
69.03431	26.7
69.07086	12.4
69.31596	21.8
71.04985	6.3
79.05500	56.6
81.03404	8.6
81.07064	56.8
83.01340	11.8
83.04990	12.3
83.08632	4.5
91.05486	73.4
93.07051	44.8
95.04974	28.6
95.08625	31.5
96.66477	2.5
97.02906	2.2
97.06528	8.7
97.10166	3.5
98.21134	11.7
103.05489	4.5
104.06206	2.3
105.07043	51.2
107.04963	11.4
107.08602	27.3
109.06532	15.3
109.10149	9.8
111.08064	4.7
115.05479	7.0
117.07025	31.6
119.07813	2.3
119.08594	35.6
121.06516	17.7
121.10154	16.1
123.08088	14.5
125.09743	2.7
127.38303	2.0
128.06230	8.1
129.07027	16.8
130.07750	2.7
131.08582	45.2
133.06532	11.1
133.10106	23.3
135.08061	12.0
135.11667	7.3
137.05983	16.0
137.09570	3.0
139.07530	4.6
141.06985	4.9
142.07774	7.1
142.08835	2.2
143.08562	23.7
144.09288	2.7
145.06473	4.9
145.10141	37.3
147.08043	18.2
147.11734	9.7
149.09656	12.8
149.13304	3.9
151.03914	2.1
151.07562	8.7
153.05508	11.8
154.07718	2.6
155.07045	54.6
155.08415	5.5
157.10150	19.4
159.08081	8.2
159.11691	16.7
161.05980	3.9
161.09647	11.3
161.13268	4.4
162.28127	2.1
163.07481	4.7
163.11208	7.2
165.06943	2.7
165.09140	5.1
167.03423	3.1
167.07062	39.9
167.08524	2.3
169.10098	5.8
171.11736	14.3
173.09593	6.9
173.13348	5.8
175.07574	6.5
175.11188	7.1
177.05493	3.5
177.12802	4.1
179.07042	6.1
181.04973	100.0
181.08597	7.5
181.10098	7.3
182.05350	2.3
183.11681	4.9
185.13206	4.9
186.85670	2.3
187.11166	6.3
187.14851	6.0
189.09134	3.4
189.12701	8.2
191.07146	12.7
193.08623	13.1
195.11769	4.5
197.13272	6.7
201.16479	2.7
203.10675	4.2
205.08563	11.2
205.15817	3.1
207.06679	2.8
207.10141	2.8
209.08089	3.8
211.14828	3.7
213.12698	3.2
213.16331	5.0
215.14333	2.7
215.84726	3.0
217.08589	3.7
219.10150	6.9
219.13867	2.3
227.17805	2.6
229.08615	9.4
231.10150	6.2
231.17464	7.9
233.11722	4.2
237.16425	6.5
243.10196	10.0
244.11000	7.9
245.11868	2.3
245.19035	5.2
255.17465	9.1
257.11761	4.8
273.15472	3.8
273.18500	67.5
344.37042	2.5
367.19077	3.1
369.20813	3.1
381.24500	3.5
391.22943	3.1
409.23834	19.5
427.19214	4.8
427.24844	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01875	11.7
55.05514	16.2
57.03430	4.2
57.07080	2.9
58.49780	2.1
65.03938	6.6
67.05511	41.2
69.07074	10.5
69.53711	8.0
69.54125	6.1
71.05003	12.3
72.77966	2.2
79.05498	41.9
81.03396	2.3
81.07066	48.8
83.01327	4.4
83.04965	6.6
83.08602	7.0
91.05485	74.6
93.07048	52.5
95.04974	100.0
95.08600	29.8
97.02873	3.6
97.06534	5.9
97.10157	4.7
98.20768	4.5
98.21429	4.6
99.04426	2.2
103.05487	5.1
105.07034	46.3
107.04951	6.4
107.08607	25.9
109.06504	8.4
109.10151	10.1
111.08078	4.7
115.05449	6.5
116.06199	2.2
117.07031	38.9
119.08575	35.0
121.06510	34.1
121.10135	22.7
123.08044	5.6
123.11756	2.4
125.06001	3.0
125.09615	3.0
127.24004	2.3
128.06256	10.1
129.07027	26.4
130.07777	2.2
131.08580	80.6
133.06483	18.1
133.10144	19.0
133.33907	2.3
135.08069	27.5
135.11673	8.3
137.05991	16.0
137.09660	2.0
139.07524	5.1
139.53702	1.9
141.06969	7.4
142.07747	2.8
143.08577	51.6
145.06491	5.7
145.10141	47.4
147.08073	21.1
147.11649	12.8
149.09659	9.9
149.13257	4.7
151.07510	5.7
153.05528	11.2
155.07048	51.6
155.08482	7.5
155.09671	2.5
157.10139	14.9
159.08107	3.2
159.11707	15.8
161.09639	14.8
161.13321	3.4
163.07611	2.0
163.11198	4.9
163.14786	6.2
165.09053	4.0
166.13623	2.3
167.07063	51.9
167.08434	2.1
169.10075	10.2
171.11696	17.5
173.09602	3.6
173.13324	11.6
175.11205	4.7
177.05383	2.1
177.16351	2.5
181.04968	91.2
181.08551	4.2
181.10124	7.2
183.08078	2.8
183.11734	2.7
185.09587	3.3
185.13264	7.5
187.14833	8.5
189.09108	2.4
189.12810	4.7
189.16344	4.7
191.07066	10.2
191.14339	2.6
193.08662	9.3
195.11720	7.7
197.13251	8.7
199.11145	2.8
205.08591	24.9
205.15846	5.3
207.17453	2.3
209.13350	2.7
211.07542	3.3
211.14909	2.6
213.16373	15.8
215.14313	12.1
219.10109	3.3
227.17744	4.9
229.08560	10.2
231.10184	4.9
231.17441	43.7
235.16907	4.2
237.16394	12.9
243.10069	4.6
244.10915	14.5
245.11673	6.5
245.18863	3.7
255.17459	19.8
273.18509	82.9
369.20459	3.1
369.25189	2.4
409.23660	7.9
427.24698	50.9
427.35623	10.0
427.44937	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	427.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27755	0.5
50.94370	0.5
53.03942	0.9
55.01872	0.9
56.14855	0.6
57.03414	1.0
68.99785	1.6
69.03417	1.6
71.57001	0.6
81.02991	0.7
81.03420	8.2
81.07030	0.6
85.02897	1.9
89.45597	0.6
91.05465	1.7
97.02872	1.8
98.21037	0.6
99.04407	0.8
103.73833	0.6
107.04955	0.9
109.02909	5.4
119.04932	2.5
121.06533	0.5
123.04470	0.9
124.07584	0.6
127.03899	1.8
127.40923	0.6
135.08026	0.8
137.05890	0.6
139.03920	0.9
147.04405	1.3
148.04704	0.6
151.07521	1.4
153.01888	1.0
163.03929	0.7
163.07516	2.0
167.03403	7.3
176.04671	2.3
177.05450	5.0
179.03409	1.0
191.07060	8.1
203.03273	0.5
204.04198	15.2
205.05003	6.4
206.05774	7.9
219.06540	51.3
220.07224	4.0
232.03683	3.6
247.06032	11.1
250.04750	14.6
251.05353	0.9
257.04367	0.6
264.06277	0.9
265.07089	100.0
266.07471	2.1
275.05521	1.3
279.53119	0.7
287.05554	0.9
305.10129	0.7
307.08136	26.0
308.08673	1.0
333.09286	0.6
337.09369	3.9
345.09741	1.0
349.09039	1.1
355.08167	1.1
367.10168	5.5
373.09216	14.2
381.31375	0.7
391.10251	50.2
392.10519	2.1
409.11316	31.2
410.11380	1.2
427.02994	2.0
427.12366	29.7
428.12796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67682	0.2
55.01877	0.3
55.05492	0.4
57.04549	0.4
59.20757	0.3
61.02925	0.3
65.39205	0.3
67.05501	0.4
69.03419	0.5
69.07088	0.3
69.59076	1.0
69.59501	1.2
71.04971	0.3
73.02888	0.3
73.06545	1.3
81.03410	0.9
81.07062	0.5
83.04978	0.5
83.71736	0.3
85.02908	0.8
91.05466	0.5
94.04060	1.8
95.08553	0.3
97.02902	0.8
98.21552	0.3
109.02879	1.4
121.72189	0.4
123.04423	0.5
123.06673	1.0
127.03928	0.9
135.08122	0.4
139.03879	0.3
145.04965	0.5
150.07755	100.0
151.08104	1.4
151.09584	0.4
153.01817	0.6
163.03871	0.3
167.03415	0.7
177.05493	0.6
189.96136	0.3
191.07137	0.5
198.15939	0.3
204.04199	1.4
205.04979	1.2
206.05769	1.2
219.06541	5.7
232.03801	0.7
247.06084	0.9
250.04716	2.8
257.04532	0.6
265.07077	18.9
265.14832	0.4
266.07370	0.4
275.05508	0.4
282.12045	0.6
295.11517	20.3
296.11789	0.4
307.08084	1.0
312.44925	0.3
332.36847	0.3
337.09158	0.7
373.08893	0.6
391.10214	2.7
409.11353	3.3
427.02890	0.6
427.12311	7.0
427.18860	0.9
428.12799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01889	9.7
55.05511	13.4
57.03425	2.3
57.07082	3.6
60.30812	1.9
62.75808	2.2
65.03944	2.9
67.05508	38.3
69.03431	40.7
69.07061	10.0
69.56685	14.2
71.04990	6.2
74.19080	2.2
79.05496	37.4
81.03407	8.8
81.07062	39.4
81.59018	1.9
82.07339	2.0
83.01345	4.9
83.04985	8.5
83.08595	6.7
91.05482	53.7
93.07050	39.9
95.04432	3.5
95.04970	37.1
95.08610	23.4
97.02921	3.1
97.06506	6.8
98.20736	3.5
98.21317	5.8
99.04431	3.5
103.05456	3.7
105.03381	2.2
105.07037	39.0
107.04942	8.4
107.08595	22.1
109.06512	14.5
109.10155	8.8
111.04457	3.8
114.50269	2.3
115.05479	5.0
116.06268	3.5
117.07024	20.7
119.08592	23.2
121.06512	30.6
121.10139	12.7
123.08087	15.1
123.11723	3.5
124.05236	1.9
125.05997	4.0
127.03990	2.0
128.06216	4.1
129.07014	12.0
130.07753	2.7
131.08560	36.8
133.06499	8.8
133.10135	16.8
135.04395	2.0
135.08067	28.4
135.11681	6.0
137.05983	19.3
137.09621	4.3
139.07530	5.6
141.06929	3.3
142.07788	4.2
143.08568	18.7
145.06499	4.4
145.10136	25.7
147.08058	22.3
147.11679	9.8
149.09631	16.1
151.07562	13.1
151.11171	2.5
153.05440	5.2
155.07043	56.2
155.08420	4.4
157.10147	14.2
159.11775	10.1
161.09641	10.1
161.13229	3.5
163.07518	3.5
163.11205	5.3
165.09105	3.0
167.07036	42.5
169.10112	4.9
171.11685	9.7
173.09634	5.3
173.13252	5.1
175.07504	3.8
175.11224	5.9
177.09158	2.8
179.07056	3.3
181.04961	92.0
181.08476	3.0
181.10141	2.9
183.06584	2.8
185.13277	4.0
187.11163	2.8
187.14790	5.4
189.12759	8.3
191.07030	7.9
191.10686	3.7
193.08615	6.4
193.12294	2.2
195.11661	4.9
197.13312	4.3
201.16406	2.1
203.14418	3.6
205.08580	6.7
205.15811	3.3
213.16399	7.0
215.14322	7.1
217.08554	3.7
219.10136	2.0
223.19887	2.0
227.17944	3.4
229.08569	3.7
231.10127	5.4
231.17435	45.1
233.11717	2.4
237.16373	5.4
243.10175	3.4
244.10919	3.5
245.11542	2.4
245.19112	4.4
255.17496	10.3
273.18497	100.0
343.18985	3.1
369.20331	2.5
409.23624	5.6
427.24680	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.9
71.18694	1.6
79.01852	4.4
81.03425	8.5
85.02900	2.2
97.02897	9.0
98.21071	1.4
99.04450	0.9
107.01332	1.6
109.02886	4.0
113.02374	26.4
114.26177	0.8
125.02374	3.5
127.03911	6.2
131.58063	0.8
141.51712	1.0
142.38435	0.8
143.03436	5.9
145.04982	1.9
153.01837	100.0
153.02820	4.2
154.02220	1.4
171.02899	10.6
297.06143	8.5
308.17453	0.8
315.07089	1.8
444.93710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1027
Annotation	Epiafzelechin 3-O-gallate
Peak:m/z	Relative Intensity
51.35761	1.4
53.03952	2.2
55.01868	4.9
58.78733	1.5
61.67068	1.6
61.82792	1.5
65.03945	1.9
67.04328	1.8
67.05490	1.8
68.99802	11.9
69.03426	4.5
69.60876	3.5
69.61279	8.6
77.03945	1.8
79.01873	3.6
81.03423	8.6
83.04990	1.7
85.02906	5.6
91.05492	2.5
95.04952	2.5
97.02896	9.6
105.03390	3.0
105.07040	1.9
107.01318	1.7
107.04883	1.7
109.02874	6.3
111.00809	4.3
111.04428	5.4
113.02376	24.2
119.04947	2.3
120.08099	3.4
121.02883	4.4
123.03557	3.0
123.04438	57.9
125.02357	5.9
127.03932	10.3
131.04865	2.4
135.04427	15.7
137.05945	2.7
139.03911	100.0
143.03395	3.7
147.04405	5.2
149.02408	2.9
150.07751	5.7
151.03896	10.1
152.24530	1.5
153.01842	99.9
159.04311	2.0
161.05988	2.6
163.03909	18.5
165.05479	4.2
167.03401	15.1
171.02916	12.7
173.05978	2.1
175.03911	9.0
177.05484	5.8
179.03403	9.5
181.06465	1.9
185.06035	2.4
187.03891	4.5
189.05472	4.9
191.03416	37.9
193.04993	11.3
201.05446	9.5
203.03395	25.7
204.04121	3.9
205.04951	6.4
206.05603	1.8
213.05548	3.7
215.03375	3.2
215.07069	1.7
217.04958	4.2
219.06506	4.8
229.04956	15.7
231.06525	2.4
233.04468	16.9
241.04909	3.2
245.04480	13.2
247.06035	22.2
250.04736	6.4
251.05508	6.3
255.06494	4.6
257.04449	29.1
258.05222	3.0
259.06058	10.2
265.07086	62.1
265.15234	3.2
269.04550	4.4
271.06024	4.7
275.05508	42.1
283.06024	17.7
287.05524	68.4
297.06201	7.4
299.05469	5.1
301.07092	14.1
409.09229	28.6
427.11194	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	427.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01859	0.9
57.03401	1.0
68.99771	1.3
69.03400	1.1
69.44812	1.2
69.45217	4.1
70.06573	0.8
81.02982	0.6
81.03419	7.7
85.02867	2.5
85.39477	0.6
91.05457	1.5
93.07040	0.7
95.08572	0.7
97.02855	1.8
98.21172	2.9
99.04403	0.8
105.06992	0.9
107.04964	1.1
109.02883	6.9
119.04891	1.6
127.03873	2.7
131.04910	0.9
135.07983	1.0
147.04367	1.6
153.01802	1.1
158.80969	0.7
161.05951	0.7
163.03914	0.7
163.07520	2.1
163.79915	0.7
167.03401	6.0
167.07092	1.2
175.07536	0.7
176.04643	2.7
177.05441	6.6
191.07033	7.8
204.02245	0.9
204.04172	13.9
205.05006	7.1
206.05754	6.0
209.08107	1.4
219.06541	49.5
220.07169	2.8
231.06644	0.6
232.03670	4.8
247.06027	13.5
247.09842	0.8
250.04739	16.0
251.05307	1.4
264.06302	1.4
265.07086	100.0
266.07449	2.5
277.07016	1.0
277.23889	0.6
307.08142	30.3
308.08536	1.2
337.09409	3.8
345.09464	1.3
349.09271	1.2
355.08221	1.8
367.10324	5.7
373.09161	13.9
391.10242	42.7
392.10593	0.9
409.11295	30.9
410.11725	1.4
427.02884	3.1
427.12399	36.8
427.18869	1.5
428.12286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05529	0.3
57.03429	0.2
68.99781	0.4
69.03426	0.4
69.69772	0.4
69.70094	1.3
73.06545	0.3
79.01842	0.4
81.03415	0.9
85.02901	0.4
85.94893	0.2
97.02895	0.8
98.21344	0.5
109.02929	0.4
113.02356	1.2
114.02959	0.2
120.08092	0.3
123.04436	2.2
125.02409	0.3
127.03895	0.7
135.04407	0.7
139.02916	0.3
139.03908	4.0
143.03392	0.5
145.04958	0.2
147.04367	0.2
150.07800	1.0
151.03931	0.3
153.01834	6.9
153.02925	0.4
163.03899	1.5
167.02139	0.3
167.03435	2.8
171.02893	0.7
173.06023	0.3
175.03928	0.4
176.04688	0.3
177.05489	0.7
179.03387	0.5
189.05530	0.3
191.03400	1.3
191.07072	0.4
191.42726	0.2
193.04959	0.4
201.05524	0.6
203.03410	0.9
204.04204	6.4
205.04967	4.3
206.05775	4.5
213.05478	0.3
217.04953	0.3
219.04384	0.4
219.06526	8.8
220.07179	0.3
222.05362	0.3
225.82101	0.2
229.04967	0.8
232.03674	2.1
233.04422	0.8
245.04588	0.5
247.06117	1.0
250.02144	0.5
250.04739	10.7
251.05351	0.2
257.04471	0.9
259.06058	0.3
265.07083	100.0
266.07382	2.1
269.04535	0.4
275.05566	1.6
283.06064	0.6
287.05508	2.7
297.06064	0.7
301.07047	0.5
409.09253	1.4
427.02835	0.5
427.11969	0.5
427.20370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24657	45.6
67.20289	53.0
68.28967	57.6
71.58421	73.1
74.77340	46.4
84.01716	54.9
116.05454	57.5
120.21428	47.3
210.37386	54.6
340.56784	67.7
425.13489	100.0
425.18674	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
59.05005	2.5
60.65537	0.2
61.02910	0.4
61.24413	0.2
69.03432	3.7
71.04985	0.2
71.08952	0.4
73.02933	0.2
79.09703	0.2
81.03423	2.4
85.02906	3.9
87.04473	0.9
94.06549	0.3
94.78197	0.2
95.04964	0.2
97.02897	3.9
98.21129	0.2
99.04445	0.6
104.05005	0.9
105.05492	0.3
107.85809	0.2
109.02875	1.6
122.05994	0.3
127.03007	0.2
127.03910	3.3
128.97256	0.2
132.04453	4.9
145.04939	2.6
160.03926	0.3
178.04994	100.0
179.05330	1.6
231.08598	0.6
240.26465	0.2
332.60971	0.2
339.24704	0.2
426.13654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01862	0.2
57.03423	0.4
59.05001	2.5
60.40350	0.1
61.02921	0.2
69.03078	0.2
69.03432	3.8
71.04989	0.2
71.57944	0.2
73.02906	0.3
76.12302	0.1
77.03938	0.2
81.03417	1.8
81.07024	0.1
84.68164	0.1
85.02906	4.3
87.04466	0.7
88.06359	0.1
91.03944	0.2
94.06564	0.1
97.02275	0.2
97.02889	3.5
99.04457	0.3
100.74881	0.1
104.04996	0.9
105.03467	0.1
105.05504	0.1
107.08604	0.1
109.02885	1.4
121.30167	0.1
122.06032	0.4
127.03913	3.6
132.04454	4.9
145.04961	2.1
147.04355	0.1
160.03999	0.3
177.04199	0.2
178.04994	100.0
179.05354	1.5
181.51657	0.1
192.06575	0.3
213.07527	0.1
231.08589	0.6
264.12195	0.1
340.10464	0.2
426.13373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01860	8.3
55.05511	5.2
57.07084	6.6
61.02922	3.4
67.05503	6.2
69.03421	9.7
69.07067	10.6
70.02947	5.2
71.05007	3.5
71.72518	2.2
72.04514	25.2
73.02930	15.6
73.06561	31.8
81.03425	24.1
83.04978	11.0
85.02898	24.0
85.06548	8.7
86.09713	3.3
87.08134	4.6
90.05554	38.0
95.04964	10.8
97.02906	25.6
98.02422	20.2
99.04468	3.7
100.04002	6.0
101.06037	5.5
103.07561	4.2
109.02892	31.5
111.04479	2.7
112.03957	6.4
113.06010	9.1
115.03953	2.3
116.03465	16.9
119.07064	5.6
124.07592	24.9
127.03941	23.9
132.06563	6.6
138.05496	3.7
139.03912	7.3
142.08658	19.6
145.04994	14.5
146.08148	5.3
153.01839	10.9
160.09721	10.6
164.09236	7.3
166.08676	3.5
174.11244	4.7
184.09695	30.7
199.06058	4.8
199.09727	3.7
202.10760	100.0
211.09717	6.9
216.08708	4.7
217.07149	4.0
220.11798	31.7
230.10257	9.9
234.09714	11.2
262.12875	19.4
265.07086	18.3
297.42181	2.5
303.01501	2.6
310.12949	8.4
314.99731	2.6
328.13953	63.6
346.14987	10.8
364.16101	21.9
381.02295	3.3
426.01721	4.5
426.19458	3.3
427.02988	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	426.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01854	1.5
55.05515	12.7
57.03428	3.1
57.07048	1.2
61.02907	2.1
69.03430	15.8
69.07024	1.1
70.70748	2.8
71.04999	2.3
73.02911	1.3
73.06557	100.0
74.06860	1.4
81.02969	2.0
81.03423	26.8
81.07024	1.3
82.68859	1.2
83.04986	12.5
85.02905	28.9
85.06551	1.1
91.07590	2.0
95.08595	1.3
97.02276	2.4
97.02900	47.6
98.20880	1.6
99.04455	5.9
101.06043	9.8
109.02893	9.3
111.04407	1.7
111.09560	1.1
119.05026	1.3
119.07060	15.3
120.54865	1.2
127.03922	31.5
136.34975	1.1
139.03955	1.5
145.04970	24.0
149.77969	1.1
150.07747	19.4
153.01866	1.5
163.06036	3.4
166.07237	2.2
199.09660	15.3
219.06496	2.7
227.09041	1.4
235.11777	3.2
245.10237	22.7
246.13382	1.2
247.06039	2.2
263.11255	8.3
264.14566	8.6
265.07074	13.3
280.76196	1.2
281.47119	1.4
282.95892	1.3
289.95615	1.1
295.11502	4.8
302.54794	1.2
331.20227	1.2
409.11191	3.3
426.18423	3.7
427.02902	1.4
427.12131	4.0
427.19247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.05507	29.9
57.07071	17.5
67.05502	47.9
69.07073	63.2
69.89029	30.3
70.13368	5.6
74.58810	5.2
79.05491	22.9
81.07069	100.0
83.04987	6.9
83.08630	16.4
89.06047	6.1
91.05484	23.0
93.07056	62.2
95.08614	97.6
97.10187	8.7
98.20867	12.2
98.21471	9.9
105.07037	63.0
107.08597	82.3
109.10162	96.6
112.18138	5.7
117.07076	7.2
119.08572	53.2
121.10153	74.4
123.11724	45.8
131.08543	16.2
133.10118	37.7
135.11728	49.0
137.09544	5.5
137.13268	13.4
145.10139	24.8
147.11696	44.9
149.13257	32.2
151.14789	6.8
159.11682	18.4
161.13258	25.6
163.14841	17.4
167.07095	9.4
173.13232	25.3
175.14859	29.9
177.16394	20.1
181.04993	25.3
187.14868	18.3
189.16359	30.9
191.18037	11.3
196.07507	7.3
201.16389	11.4
203.17946	35.0
205.19383	6.6
215.17924	11.5
217.19522	20.9
229.19539	11.2
231.21053	10.3
257.22809	6.4
259.24268	5.8
269.22720	5.8
271.24249	12.2
285.25909	7.5
297.25845	7.9
374.27951	9.1
383.33444	5.6
407.36798	14.7
425.38010	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03931	4.0
55.05513	23.4
57.07071	9.5
59.04982	2.7
65.24092	2.3
67.05510	40.1
69.06718	4.1
69.07076	57.5
71.05008	5.1
71.41077	5.5
72.17078	2.2
79.05492	21.5
81.07063	100.0
83.08614	14.6
85.06522	3.2
89.06006	3.2
91.05484	16.9
93.07045	52.2
95.04958	3.2
95.08617	90.4
97.10191	12.9
98.50468	2.7
105.07037	36.6
107.08604	79.9
109.06535	3.0
109.10167	75.1
111.08058	3.2
111.11736	11.0
117.06966	3.0
119.08599	39.5
121.06254	2.2
121.10156	56.8
123.08118	3.2
123.11715	30.2
125.09652	9.9
127.11214	5.5
131.08580	11.2
133.10135	32.3
135.11714	42.6
137.13264	18.8
139.11238	2.8
143.08571	3.1
144.68636	2.1
145.10144	19.2
147.11681	26.6
149.13275	42.0
151.08508	2.6
151.14809	4.4
157.10181	6.8
159.11708	21.1
161.13272	22.0
163.14830	19.6
165.12682	2.9
171.11720	6.1
173.13274	15.5
175.14871	14.3
177.16443	19.6
177.80667	2.6
185.13290	3.6
187.14856	11.6
189.16452	15.7
191.17972	12.4
195.17528	4.9
199.14838	6.1
201.16435	10.1
203.17958	13.9
205.19557	9.0
213.16379	6.0
215.17976	10.9
217.19463	12.4
219.21063	4.1
227.17973	4.2
229.19521	12.8
231.21094	10.1
241.19472	3.8
243.21191	3.1
257.22668	5.8
271.24234	6.6
283.24179	3.1
285.25897	2.9
301.25302	3.0
343.29706	3.0
369.31412	3.6
407.36874	18.8
425.32367	3.7
425.38205	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	14.5
56.08463	2.2
57.07076	7.1
60.03814	2.0
60.58244	2.1
65.03934	2.2
67.05504	27.5
67.31768	1.9
69.07066	26.9
71.10236	2.3
71.10565	4.8
73.33276	2.1
79.05495	17.5
81.07057	62.2
83.08613	14.0
89.06012	2.2
91.05482	13.5
93.07050	40.2
95.08607	100.0
97.06523	2.1
97.10171	9.1
98.21086	2.5
105.07034	42.7
107.08594	65.4
109.06522	3.1
109.10156	67.5
111.08083	4.2
111.11707	3.6
115.56108	2.1
117.06995	4.2
119.08587	44.6
121.10144	50.0
123.08070	5.4
123.11710	32.3
131.08556	7.8
133.10114	29.7
133.36295	2.2
135.11700	34.6
137.13258	14.4
143.08533	2.5
145.10110	10.6
147.11691	33.4
149.13252	45.3
151.11174	4.8
151.14801	4.7
155.70723	2.1
157.10077	3.0
159.11693	13.8
161.13240	32.7
163.14821	28.5
171.11674	3.7
173.13274	8.9
175.14827	24.3
177.16393	25.4
179.14305	9.0
187.14822	12.9
189.16400	21.9
191.17932	53.9
199.14885	4.8
201.16364	12.4
203.17957	36.7
205.19533	12.3
207.17422	3.3
213.16449	3.2
215.17987	13.5
217.19519	42.5
219.17537	2.3
221.19029	2.9
229.19489	12.9
231.21060	8.1
233.19019	9.9
235.20624	7.6
241.19562	2.5
243.21016	3.0
245.22717	8.7
247.20538	5.7
257.22690	7.0
341.45215	2.4
407.37109	17.8
425.38196	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01818	2.6
53.03952	3.0
55.05510	14.0
57.07064	6.8
67.05506	41.2
69.07073	38.7
69.74088	19.2
71.05028	3.3
71.08643	4.9
79.05500	25.2
81.07059	75.2
83.08614	13.5
85.06525	3.7
91.05489	23.9
93.07048	53.0
95.05011	4.9
95.08616	100.0
97.06544	5.2
97.10175	8.7
98.20928	5.6
98.21481	4.9
103.80540	3.2
105.07029	35.8
107.08608	79.5
109.06499	4.3
109.10159	87.1
111.08072	7.2
111.11816	4.2
119.08588	46.3
121.10146	65.8
123.11720	38.2
125.09655	5.4
127.11166	4.5
131.08589	16.2
133.10124	40.3
135.08029	4.0
135.11694	48.8
137.09636	4.2
137.13254	19.9
139.11220	3.5
142.07840	3.5
143.08540	4.9
145.10176	18.1
147.08131	4.0
147.11705	38.2
149.13263	34.3
151.11009	3.5
151.14929	4.4
157.10185	7.3
159.11755	18.6
161.13243	32.2
163.14836	18.8
165.12694	3.7
173.13272	12.3
175.13503	3.9
175.14725	15.8
177.16423	10.5
179.14304	8.0
187.14836	9.8
189.16408	20.8
191.17964	35.8
201.16440	11.8
203.14287	19.3
203.17935	27.9
205.15968	8.9
205.19576	8.3
206.34866	3.0
207.17400	9.1
213.16498	4.5
215.17995	14.8
217.19481	31.3
229.19676	3.8
231.21089	4.9
233.18994	5.4
245.22754	5.8
259.05630	3.3
269.22604	4.6
271.24408	4.2
407.32217	3.9
407.36755	13.5
425.22626	6.2
425.33231	58.9
425.38321	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	10.0
57.07072	8.9
67.05164	1.8
67.05505	21.6
69.07065	22.0
69.62103	4.2
69.62531	4.8
71.08627	2.5
79.05489	11.1
81.07059	71.1
83.05752	1.3
83.08618	11.3
85.10152	1.3
88.11760	1.2
91.05473	10.5
93.07051	21.8
95.08607	100.0
97.06536	1.9
97.10169	6.3
98.21317	3.5
103.38176	1.3
105.07028	24.4
107.08600	26.3
109.10155	42.1
111.08094	2.3
111.11753	2.5
117.07011	5.8
119.08582	19.6
121.10136	20.8
123.11710	24.1
129.07037	4.5
129.50334	1.2
131.08577	11.0
133.10133	21.1
135.11688	22.6
137.13248	46.9
143.08543	5.7
145.10133	16.1
147.11690	14.8
149.13281	14.8
151.14821	4.2
155.08582	1.4
156.20778	1.2
157.10120	5.5
159.11699	11.8
161.13268	10.4
163.14816	5.5
171.11719	4.4
173.13240	7.7
175.14789	7.5
177.16420	5.3
179.17952	3.3
185.13292	8.9
187.14854	6.4
189.16391	9.6
191.17958	9.2
193.19458	1.7
199.14830	3.7
201.16411	12.2
203.17961	5.4
205.15878	1.5
205.19528	4.6
207.17461	2.1
213.16415	7.3
215.17958	10.1
217.19513	7.9
219.17482	4.2
227.17934	9.2
229.19531	7.1
231.17491	2.5
233.18994	1.5
240.15266	1.3
241.19537	3.4
243.21176	2.1
245.19000	5.1
255.21126	5.5
257.22537	4.6
269.22656	5.2
271.24255	1.4
273.22006	1.6
283.24106	4.3
287.23712	2.2
294.80588	1.2
301.25140	1.4
395.36911	2.0
407.36829	19.1
425.38037	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.05497	16.9
57.07069	5.7
67.05503	34.9
69.07064	36.9
71.05005	6.2
76.73902	3.4
79.05480	19.6
81.07053	73.9
83.08604	14.6
89.06012	5.5
91.05474	15.0
93.07045	36.9
95.08611	100.0
97.10162	8.4
98.21534	6.7
105.07037	39.0
107.08597	51.8
109.10157	63.3
111.11649	5.8
119.08574	47.2
121.10150	49.9
123.08101	6.2
123.11703	25.6
126.77456	3.8
131.08557	15.2
133.10112	29.0
135.11710	26.3
137.13223	15.1
143.08511	6.9
145.10127	22.4
147.11670	27.2
149.13284	20.2
151.14861	6.5
153.12767	4.3
157.10101	13.4
159.11662	18.1
161.13266	33.0
163.14781	11.5
171.11684	7.6
173.13255	21.2
175.14812	19.0
177.16385	13.5
179.14261	7.2
185.13264	5.5
187.14809	15.5
189.16348	18.3
191.17961	16.8
199.14830	6.1
201.16385	15.5
203.17978	21.9
205.15918	7.6
205.19533	4.1
215.17950	14.9
217.19614	20.8
225.16794	4.3
227.17894	6.2
229.19522	16.1
229.22136	3.7
241.19655	7.0
257.22620	6.1
317.87592	5.1
393.21594	3.9
407.36734	15.2
425.26563	10.3
425.33469	19.4
425.37677	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.1
55.90305	2.0
57.07065	8.6
65.03931	4.6
67.05507	36.7
69.03424	3.1
69.07067	26.3
70.57774	3.6
70.58107	2.6
71.04988	2.3
79.05491	24.8
81.06577	3.9
81.07059	78.9
83.01289	2.6
83.04971	2.0
83.08609	12.7
85.06507	2.4
91.05488	28.5
93.06464	3.4
93.07042	49.5
95.04975	5.6
95.08611	100.0
97.06535	5.5
97.10162	9.4
99.08090	3.9
105.07034	50.7
107.08598	72.7
109.06497	4.4
109.10160	86.1
111.08085	3.3
111.11732	5.0
117.07021	9.1
119.07786	4.1
119.08589	57.4
121.06528	2.0
121.09303	3.9
121.10152	55.8
123.08087	5.3
123.11704	31.8
125.09660	4.5
127.11184	4.2
131.08566	19.3
133.10133	46.8
133.35016	2.1
135.08064	5.8
135.11691	48.9
137.09624	3.6
137.13264	18.8
143.08559	6.1
145.10139	21.7
147.08032	2.9
147.11673	34.5
149.09616	3.1
149.13264	29.1
151.07483	4.4
151.14767	2.4
157.10124	8.2
159.11699	23.1
161.09688	4.1
161.13248	33.5
163.11205	2.9
163.14828	25.1
165.09010	2.8
165.12727	3.2
169.08611	11.7
169.09998	3.6
171.11728	5.8
173.13216	14.4
175.14850	21.4
177.16420	11.5
179.14290	6.3
181.04970	2.8
181.08548	4.3
183.11641	2.4
185.13235	6.9
186.13577	2.4
187.14803	12.9
189.16370	23.8
191.17947	33.1
195.06546	5.0
199.14818	3.4
201.16425	14.9
203.14253	4.4
203.17987	23.4
205.15822	4.7
205.19417	11.4
207.17453	8.0
211.14810	3.0
213.16331	2.8
215.18042	15.2
217.19533	31.6
219.21088	4.3
227.17818	3.0
229.19498	3.8
231.21120	3.8
233.11833	2.3
233.19063	3.4
235.20566	2.3
241.19499	3.2
243.21135	3.8
245.22643	2.9
255.21132	4.2
257.22629	5.0
259.13257	2.5
269.22488	2.6
348.68246	1.8
351.14450	2.6
407.25861	4.9
407.37167	13.7
425.22153	4.3
425.26678	10.8
425.33667	23.1
425.37805	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	425.2897
Annotation	CHEBI:66415
Peak:m/z	Relative Intensity
54.88485	2.5
55.05510	27.4
57.07080	32.0
67.05507	52.8
69.07066	49.2
69.79016	16.9
71.08630	23.9
79.05498	13.5
81.07060	60.3
83.08627	35.2
85.10170	4.0
91.05474	14.8
92.17129	3.0
93.07046	16.8
95.08036	5.0
95.08608	55.0
97.06538	4.1
97.10167	30.6
98.20987	8.7
99.08124	4.9
105.07035	12.1
107.08595	16.1
109.02857	2.9
109.10159	35.8
111.08058	4.8
111.11707	9.9
119.04988	3.0
119.08559	16.5
121.10133	14.8
123.04414	10.2
123.08120	6.5
123.11713	12.4
125.13271	3.6
127.03912	73.2
127.05341	3.2
131.08575	3.1
133.10127	19.4
135.11678	11.7
137.05968	7.1
137.09596	6.4
137.13272	6.3
139.03894	43.6
143.08733	2.7
145.10207	3.5
147.11694	10.5
149.13278	9.2
151.11185	5.7
153.01825	100.0
155.03471	6.7
155.14328	8.5
161.13295	12.1
163.03911	6.0
163.14850	5.8
165.05469	9.3
165.12686	3.3
171.11783	3.3
173.11780	6.0
175.14815	9.8
177.16505	4.6
179.14427	4.8
179.17992	4.0
181.04918	11.4
187.14833	2.9
189.16299	8.1
189.32986	2.4
193.08612	11.5
193.15901	2.7
199.14923	3.1
203.14432	3.1
203.18010	4.3
207.65797	3.1
217.19547	2.7
219.20985	3.5
221.22723	3.9
245.22603	20.5
263.23755	14.2
281.24655	7.3
299.25974	5.9
302.21231	3.0
371.25723	8.2
389.26880	22.9
407.33047	4.2
425.34241	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	425.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.05496	20.0
57.07071	10.9
67.05515	33.5
69.07071	53.1
70.04697	13.7
70.05107	14.9
71.08640	8.2
79.05496	25.1
81.07065	97.6
83.08608	16.7
86.09711	16.6
86.25045	5.0
91.05471	16.6
93.07047	49.9
94.78214	5.0
95.08615	100.0
97.10176	9.2
97.72044	5.2
98.21249	12.4
99.02764	5.4
105.07034	61.9
107.08597	61.0
109.06524	7.6
109.10157	62.7
111.11736	7.0
117.07027	5.3
119.08599	56.9
121.10138	46.1
123.11710	33.4
130.15916	8.3
131.08546	14.8
133.10135	45.9
135.11726	37.2
137.09622	11.4
137.13261	11.4
145.10159	18.9
147.11710	33.5
149.13313	32.5
159.11656	27.2
161.13266	25.6
163.14803	27.8
165.12820	9.0
171.11726	7.3
173.13258	16.9
175.14799	29.1
175.88171	5.2
177.16376	15.8
181.04953	9.2
187.14778	20.0
189.16360	16.8
191.14384	5.5
191.18123	6.5
193.15877	18.8
201.16354	15.7
203.17944	12.8
213.16360	10.6
215.17987	16.0
217.19603	13.5
229.19586	8.9
233.19240	7.2
239.14877	7.0
243.21169	6.9
327.44803	5.9
340.91904	7.0
407.32623	36.8
425.33823	35.0
425.37921	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	425.3413
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
52.91045	1.4
53.03942	4.0
55.05509	15.4
57.07061	6.2
65.03918	2.0
67.05504	34.7
69.03384	1.5
69.07068	17.0
69.61794	8.3
78.07313	1.5
79.05492	27.8
81.07058	100.0
83.08607	9.1
85.06538	2.2
91.05482	16.8
93.07048	57.2
95.04986	3.3
95.08609	84.1
97.10182	4.7
98.21392	4.0
105.07032	36.4
107.08596	69.2
109.06525	2.1
109.10160	66.8
110.10512	1.5
110.52688	1.7
111.08117	1.6
117.07008	6.2
119.08578	52.4
121.10143	59.7
122.10516	1.6
123.11710	55.4
125.06009	1.8
125.09629	1.9
129.07039	3.2
131.08554	11.9
133.10139	43.9
135.07997	2.0
135.11696	76.7
137.13217	8.5
143.08549	5.8
145.10126	24.0
147.08084	1.7
147.11696	29.1
149.13249	13.7
151.07574	2.2
153.01826	3.4
153.09129	5.3
155.08597	2.3
157.10129	5.6
159.11676	16.1
161.09657	2.1
161.13283	19.0
163.14824	22.7
165.07890	1.6
165.09172	7.2
165.16379	5.9
169.09985	1.8
171.11723	7.8
173.13278	16.8
175.11279	2.2
175.14801	19.3
177.09236	1.9
177.16396	43.7
178.16467	1.7
179.10870	1.9
181.05066	2.5
183.11617	1.5
185.13264	9.2
187.14812	9.9
189.16374	50.3
191.17958	21.4
199.14886	6.2
201.16420	14.6
203.14305	8.6
203.17955	42.0
205.19470	7.9
207.17421	3.5
213.16396	7.0
215.17941	42.7
217.19398	7.5
227.17973	3.9
229.19505	4.4
231.17578	2.3
231.20987	3.3
235.16931	4.6
239.17885	2.1
240.21466	1.7
241.19463	11.5
243.21075	22.7
245.22682	2.3
247.16959	6.7
249.18544	6.7
255.21089	11.5
257.22565	4.1
259.16919	2.8
261.18478	35.0
262.18896	2.7
269.22638	7.3
275.20038	2.6
283.24216	6.7
287.20081	1.8
289.21631	16.4
295.24026	1.9
300.16119	1.9
301.21680	8.3
303.23218	2.1
315.23193	7.2
337.28824	2.1
355.26239	1.8
379.33563	24.9
407.22037	3.4
407.33014	2.6
425.23068	3.0
425.34161	74.5
426.34448	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50386	2.5
55.05516	31.6
57.07072	34.2
67.05505	40.8
68.99760	3.5
69.03445	3.8
69.07069	55.8
71.08635	12.3
79.05493	16.7
79.96939	2.4
80.77284	2.8
81.01652	2.5
81.03416	4.4
81.07054	66.8
83.08614	30.7
85.06545	5.2
91.05479	25.6
93.07047	27.7
95.04970	5.1
95.08607	50.6
97.06534	6.6
97.10164	25.3
98.20991	3.3
104.51505	2.8
105.07017	19.5
107.08577	22.6
109.06503	5.5
109.10161	31.1
111.00800	3.2
111.04424	3.0
111.08060	4.5
111.11732	12.4
117.07045	6.4
119.08572	30.5
121.06482	6.0
121.10181	17.0
123.04430	8.3
123.08050	4.7
123.11720	13.7
125.09688	2.8
125.13249	3.5
127.03917	64.0
127.11230	3.5
129.07019	4.6
131.08571	10.6
133.10126	21.0
135.08101	3.1
135.11691	13.3
137.06007	7.5
137.09581	5.1
137.13254	6.3
139.03886	36.8
141.12773	4.2
143.08546	4.7
145.10130	11.8
147.08084	4.5
147.11700	13.5
149.13239	7.8
151.11192	5.6
153.01828	100.0
153.05421	4.3
155.03419	10.3
155.06955	2.8
159.11720	8.3
161.09645	5.6
161.12106	2.5
161.13235	14.9
163.14803	9.9
165.05505	6.6
165.09120	5.0
165.12772	5.1
167.07056	3.9
167.14388	3.4
169.10081	3.6
171.11751	5.4
173.13278	4.9
175.14865	11.3
177.16388	8.8
179.14307	8.1
181.04955	14.9
183.11707	5.2
185.13266	5.1
187.13293	2.8
187.14845	7.2
189.16434	9.9
193.08641	4.7
193.15891	4.6
201.16438	3.3
207.17513	3.6
211.15004	4.1
215.17882	3.3
227.18092	3.3
235.16948	3.3
245.22658	14.8
253.25284	3.2
263.23746	11.1
268.07990	3.0
271.16830	3.4
281.24756	3.1
296.26053	2.9
299.25830	4.7
354.54617	2.8
371.25797	5.7
389.26913	18.4
407.21854	6.4
407.33218	6.1
425.22726	4.0
425.34235	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2686
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
53.03933	1.6
55.05513	6.6
57.07057	3.8
64.96371	0.8
65.03945	1.2
67.05505	14.7
69.07068	8.8
71.57963	0.8
76.75490	0.9
79.05495	11.7
81.06583	1.6
81.07059	27.9
81.23346	0.8
81.98134	0.7
83.04994	2.1
83.08630	4.5
85.06515	1.1
89.06028	1.1
91.05495	6.9
93.06554	1.3
93.07051	15.0
95.04977	1.6
95.08609	36.8
97.10156	2.7
105.07037	9.0
107.08606	13.6
109.06487	1.2
109.09460	1.1
109.10159	15.1
111.51096	0.7
117.06983	2.4
119.04803	0.7
119.07880	1.0
119.08584	9.3
121.06522	1.4
121.10147	12.2
123.11720	8.6
127.65182	0.8
131.08572	4.3
133.10139	8.5
135.11705	9.1
137.13257	11.1
139.07526	1.2
143.08536	2.2
145.10129	5.7
147.08058	1.2
147.11687	6.6
149.13306	5.9
151.07516	3.7
151.14796	2.2
153.01816	1.8
153.05501	1.8
157.10110	3.0
159.11726	5.9
161.09557	1.3
161.13268	4.6
163.03862	1.0
163.14763	3.2
167.03407	7.6
167.07079	8.2
169.08620	1.4
171.11682	1.7
173.13242	3.0
175.14812	2.7
177.16347	3.3
183.08307	0.8
185.13242	3.6
187.11169	1.2
187.14815	2.7
189.16356	3.4
191.10617	1.0
191.14296	1.3
191.17982	4.1
192.04150	2.5
193.04948	3.3
195.06526	2.8
197.13321	1.0
199.14836	2.2
201.09111	4.5
201.16391	4.8
203.14267	3.2
203.17899	3.5
204.04175	4.4
205.04985	8.8
205.15752	2.6
205.19519	2.0
206.05742	15.3
213.16299	3.4
215.10652	3.3
215.17969	5.2
217.19453	3.8
219.06540	54.7
220.07239	2.0
227.17984	1.2
229.19530	3.1
231.17242	0.9
233.08113	6.9
243.20993	1.4
245.08171	1.0
247.09618	2.1
255.21072	1.8
257.22638	2.3
259.24417	1.0
261.11072	2.6
261.22031	1.1
269.22528	1.7
271.24240	1.0
275.12784	3.3
289.14285	1.6
303.15717	1.0
317.17337	1.7
329.17700	1.1
331.18802	1.3
343.18954	1.0
355.19135	1.0
357.20572	1.5
369.20340	2.0
407.25552	1.5
407.37448	4.8
425.26724	100.0
425.33740	8.1
425.38089	5.7
426.27014	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99738	2.9
53.00284	3.0
53.03943	4.7
55.05510	37.3
57.06831	2.9
57.07079	45.7
63.58173	3.0
65.03922	3.9
67.05506	62.5
69.03434	4.3
69.06715	5.3
69.07070	69.1
71.08629	36.7
73.06538	4.5
79.05492	21.8
81.07060	100.0
83.04980	5.4
83.08619	47.9
84.39622	3.1
85.06535	5.2
85.10179	11.8
91.05470	25.6
93.07048	36.0
95.05006	4.6
95.07981	5.0
95.08604	96.5
97.06522	5.5
97.10165	35.4
98.20849	17.3
98.21533	7.0
99.08121	4.1
99.54382	2.9
105.07042	36.1
107.08595	45.5
109.06533	8.1
109.10161	72.0
111.08084	6.1
111.11715	14.7
113.09563	4.2
117.07013	3.5
119.04944	4.0
119.08592	37.0
121.10149	33.5
123.04429	11.2
123.08059	7.1
123.11700	34.7
125.09634	5.0
125.13242	8.3
127.03918	93.8
131.08560	10.8
133.10124	32.7
135.11731	18.5
137.05989	12.4
137.09648	6.4
137.13283	7.4
139.03908	34.8
141.12735	10.1
143.08594	5.4
145.10156	12.9
147.11691	27.4
149.13246	20.5
151.07545	5.7
151.11176	10.2
151.14865	4.3
153.01848	73.4
155.03407	5.3
155.07010	24.1
155.14334	10.4
159.11693	10.4
161.13245	26.8
163.04033	3.7
163.14841	13.3
165.05504	7.9
165.12723	4.4
165.16447	7.4
167.07053	5.0
171.11699	4.2
173.13243	8.2
175.14885	21.1
177.12849	3.6
179.14285	11.7
179.17914	6.2
181.04962	12.2
187.14815	12.9
189.16399	14.1
191.17964	8.1
193.08696	6.1
193.15810	6.1
201.16432	5.5
203.17967	14.6
205.15800	4.0
205.19574	4.0
207.17462	5.1
215.18005	5.9
217.19557	12.9
228.59058	4.1
235.24265	5.2
245.22681	16.9
253.25279	7.9
255.21384	5.2
263.23743	15.9
281.24643	8.1
299.25818	10.3
371.25812	4.7
389.26703	7.7
407.22092	4.3
407.32782	5.3
425.22562	5.7
425.28595	3.1
425.33853	13.5
425.37903	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	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91378	0.6
57.03433	0.8
57.32973	0.8
67.97043	0.7
69.03410	2.3
71.01546	1.7
81.03423	1.6
82.99871	1.7
83.67467	0.7
84.02499	0.7
85.02896	3.7
97.02885	2.9
98.97563	1.4
99.04404	0.9
100.26614	0.7
101.00262	1.2
101.00889	18.4
102.24470	0.8
104.13673	0.8
109.02892	1.4
113.00860	2.8
119.01927	24.4
120.02063	1.1
127.02409	3.0
127.03918	1.2
131.01920	9.2
133.03458	1.8
135.35963	0.8
137.02942	2.7
139.02376	1.5
143.01895	31.8
144.02016	1.0
145.01685	1.0
145.03473	12.0
147.01430	0.9
147.05043	1.0
149.02945	1.6
153.01848	4.2
155.01878	16.7
157.03476	8.6
159.05083	0.8
161.02956	41.5
162.03017	1.0
167.01907	7.5
169.03465	3.8
171.05057	2.8
173.02956	18.6
175.04489	2.8
179.01950	3.4
184.04474	1.1
185.02963	37.7
186.03140	1.2
187.04530	5.9
191.02449	0.8
191.04015	4.2
197.02983	13.4
199.04568	1.5
203.04021	15.6
209.02988	1.2
215.04025	7.9
221.05177	4.1
227.04025	8.1
229.01363	0.9
229.44005	0.8
231.03064	0.8
232.03069	1.0
233.05092	0.8
237.02817	0.8
239.03954	1.3
239.06210	2.3
245.05078	100.0
246.05283	3.8
247.04790	0.7
257.00806	1.4
257.05038	3.9
259.02509	2.3
263.06140	28.6
264.06335	1.6
275.02258	2.3
275.06097	19.6
277.03415	5.5
278.03918	1.4
291.09216	1.8
293.07126	3.2
303.01349	11.4
304.01697	2.1
305.01840	1.5
305.07126	9.8
329.37109	0.8
335.08255	2.0
361.00497	1.8
365.09338	4.9
379.01419	3.3
380.01651	1.0
385.00095	1.0
403.01523	4.0
404.01694	1.2
405.01382	1.1
425.11777	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	425.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32988	0.6
53.03933	1.4
55.01869	3.3
55.05511	5.4
57.07074	0.8
67.05230	0.6
67.05506	7.0
69.03419	1.7
69.07060	2.7
79.05489	6.6
81.03423	3.4
81.07064	9.3
83.04974	2.1
83.08630	1.5
85.02924	0.5
85.06528	0.8
91.05476	5.7
93.07046	7.4
95.04975	3.3
95.08608	5.7
97.02863	2.1
97.06512	1.3
97.10150	1.9
98.21106	3.9
105.03359	1.7
105.07025	4.0
107.04948	4.9
107.08586	6.6
109.02878	7.6
109.06503	2.0
109.10139	4.3
111.04423	1.3
113.05987	0.6
115.05431	0.8
117.06991	1.3
119.04945	4.7
119.08592	4.0
121.06515	3.4
121.10129	2.7
123.04431	58.8
123.08066	1.0
123.11702	6.5
124.04698	0.6
125.05999	1.0
125.09634	2.0
127.03910	1.3
131.08542	2.0
133.10123	3.0
135.04410	9.5
135.08080	0.7
135.11708	3.1
137.02336	1.5
137.05972	2.7
137.09637	0.7
139.03894	9.4
141.07051	1.2
143.04924	0.8
143.08560	2.0
145.10112	2.3
147.03215	0.8
147.04407	17.3
147.07921	0.8
147.11716	1.2
149.05969	2.2
149.09647	0.7
149.13271	1.5
151.03902	33.1
151.07503	2.8
153.05508	3.4
157.10097	1.2
159.08113	0.8
159.11676	1.2
161.05981	4.7
161.13309	0.9
163.03899	5.1
163.07556	4.2
163.11179	1.5
165.05482	10.3
167.07091	0.9
169.04959	4.9
169.06442	1.2
171.08031	0.7
171.11758	0.7
173.05994	2.8
173.13307	2.0
175.03917	1.2
175.07574	1.6
175.14743	0.8
177.05481	1.4
177.12766	0.7
179.03337	1.0
179.07036	2.2
181.05005	3.1
181.12238	0.9
183.11681	1.0
185.13293	0.7
187.07559	1.9
187.14870	1.2
189.05493	2.3
189.09190	1.0
191.07051	6.8
191.10640	1.9
191.17915	0.6
193.04976	12.6
193.08575	0.7
193.12233	0.7
197.05916	1.4
199.07466	1.5
203.17938	0.7
205.08626	2.0
207.06516	6.0
209.13376	0.6
211.07491	1.1
213.16533	0.7
215.07022	5.7
217.08606	3.9
221.06015	0.9
227.12650	0.9
229.08658	0.7
239.07077	1.2
243.06540	1.8
249.07808	0.8
255.13849	3.0
257.08252	0.9
267.06461	1.4
273.14822	15.8
283.62775	0.6
285.07626	7.7
303.08627	100.0
304.08960	2.1
317.10138	0.7
343.11716	2.4
357.13345	1.2
425.19431	5.1
425.25626	2.2
425.34070	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96533	1.0
57.50513	0.2
57.78400	0.3
65.19736	0.2
70.17693	1.2
74.93153	0.6
98.20908	0.6
98.21430	0.3
98.97583	6.4
102.06865	0.3
110.32114	0.2
116.98625	4.9
117.98909	0.4
122.97874	0.3
134.99661	3.2
135.27548	0.3
136.93137	0.3
153.00705	0.4
172.95216	0.4
177.00920	0.4
180.96773	0.6
182.99889	0.4
192.98886	1.0
198.97835	0.4
208.88507	0.4
211.00002	0.5
212.98268	0.3
216.98947	4.0
219.02042	0.5
221.01755	0.4
222.97708	1.5
226.89456	0.5
235.00002	15.5
236.00124	1.1
240.98891	5.2
241.98912	0.4
249.98689	0.6
253.01085	3.6
258.01807	0.4
258.99991	41.2
260.00043	4.9
260.99918	0.9
261.03046	1.3
263.02905	0.4
264.98734	2.8
265.99057	0.4
273.98709	1.1
274.97684	1.0
277.01035	34.8
278.01123	5.6
279.00906	0.5
282.01572	0.8
282.99991	76.0
284.00150	5.8
284.99896	0.7
291.02390	0.6
291.99799	1.7
292.99078	0.3
298.97760	0.9
300.02615	0.5
301.01053	100.0
302.01187	8.6
303.01019	1.1
315.02661	2.0
316.98996	1.6
317.99274	0.4
318.98795	0.5
319.02060	4.8
322.98199	0.4
324.02676	3.1
334.92618	0.5
358.99963	1.3
360.00317	0.4
364.99203	1.3
383.00027	0.8
384.00064	0.5
400.93274	0.6
401.01151	4.3
402.01324	2.6
407.00009	5.1
408.00693	0.5
418.94623	0.4
425.01160	35.5
426.01337	4.0
427.01282	0.4
443.02252	76.1
444.02402	8.5
445.02493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99850	1.7
69.23059	0.6
69.60297	0.5
69.82112	3.3
70.99840	1.4
77.00920	4.9
81.03384	1.0
82.61195	0.5
82.99856	0.8
85.02845	0.6
86.99348	0.8
89.00910	2.8
97.02855	1.3
98.21358	1.2
101.00877	7.3
107.01916	0.9
109.02862	0.7
113.00845	1.0
115.02420	1.1
119.01144	1.0
119.01929	10.6
127.02415	2.3
131.01891	3.4
133.03433	1.8
135.01344	1.3
137.02983	1.1
139.02385	4.2
143.01897	6.1
145.03465	8.7
153.02548	0.9
155.01897	4.6
157.02216	1.2
157.03473	17.3
159.01312	0.8
161.02968	8.9
161.04247	0.4
162.82977	0.5
163.04514	0.7
167.01953	1.9
169.03453	1.7
173.02983	4.9
175.04523	3.5
185.02960	8.0
187.04536	0.7
197.02913	0.9
203.02254	1.1
203.04018	14.7
211.04352	0.7
221.05070	34.8
222.05157	0.7
236.04300	0.7
239.06114	33.8
244.06660	0.7
245.05052	6.9
256.97253	0.7
263.06134	97.8
264.06375	3.4
275.06122	100.0
276.06348	3.7
277.07678	2.3
281.07022	0.6
287.06097	1.9
289.07581	0.8
299.06073	1.6
305.03940	0.4
305.07175	11.6
307.08789	1.3
317.06961	0.8
335.08200	0.9
347.08368	1.9
355.09979	0.6
365.09253	13.3
383.10306	6.4
425.11404	46.3
426.11856	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14378	3.9
55.05501	15.1
58.06602	4.2
58.20037	3.2
67.05501	7.5
69.03424	8.0
69.65343	11.0
69.65749	12.0
71.04995	6.8
73.06558	4.2
79.05521	5.0
81.03429	6.3
81.07043	6.3
83.04967	11.9
83.08622	7.9
85.02896	15.8
85.06533	14.2
86.09682	4.4
93.07036	8.2
95.04982	43.5
95.08622	5.4
97.02895	9.9
97.10180	5.2
98.21001	12.3
99.04449	15.4
103.06181	3.8
107.08607	9.9
109.02888	9.0
109.10130	6.4
113.06003	5.7
119.08588	4.9
121.10133	13.0
123.04440	6.4
123.11669	4.6
127.03919	13.7
133.10153	8.3
145.05045	6.2
147.04362	3.9
151.11194	11.6
153.01830	8.6
153.09116	18.7
162.05516	6.3
162.11259	7.7
167.14345	13.5
173.13274	5.6
188.08206	5.5
196.66061	3.9
209.15372	100.0
227.16458	8.1
230.08224	4.2
262.10907	4.9
263.05658	5.1
424.24991	5.6
425.10092	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31295	4.0
55.05510	21.3
67.05503	10.6
69.03415	11.2
69.07053	14.3
71.04986	6.7
71.56805	4.7
76.77682	3.8
81.03406	6.5
81.07046	7.2
83.04971	12.1
83.08617	18.3
85.02900	11.2
85.06539	6.7
93.07045	24.5
95.04964	13.9
95.08601	8.5
95.71787	4.1
97.02864	6.8
97.06536	4.6
99.04447	8.6
105.07008	6.7
107.08611	26.4
109.02879	6.3
109.06496	8.3
109.10148	13.8
111.08038	4.4
111.44257	4.0
113.06030	4.6
115.07584	7.5
119.08565	7.8
121.10158	57.8
123.11700	7.0
125.09630	7.4
127.03898	6.2
136.14030	4.4
147.11653	6.5
149.13171	4.0
151.11195	23.4
153.09064	5.0
161.64403	4.3
163.14844	14.5
167.14381	22.9
173.13249	9.6
191.14383	22.4
209.15390	100.0
227.16406	9.0
324.60089	4.0
341.05414	4.8
444.47452	4.1
449.98114	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22184	6.1
55.05504	12.5
57.07071	9.5
63.44688	6.0
67.05502	27.1
67.87798	5.9
69.07077	33.1
71.04998	8.4
71.57791	4.7
71.58202	7.5
72.08163	15.9
79.05499	21.5
81.07067	63.4
83.08616	14.1
83.65218	5.1
86.09719	16.5
86.55286	5.4
89.06034	6.5
91.05450	13.8
93.07052	39.4
95.08615	86.4
97.10198	10.3
98.20963	6.2
105.07059	34.6
107.08608	78.7
109.10164	57.1
111.08070	8.3
111.11734	7.5
119.08575	50.8
120.19937	5.5
121.10159	71.0
122.87637	5.2
123.11723	29.2
130.69580	6.1
131.08580	12.8
132.40768	5.2
133.10135	41.6
135.11696	44.4
137.13293	16.0
145.10121	28.9
147.11717	34.9
149.13257	17.6
157.10181	17.7
159.11694	28.1
161.13257	22.9
163.14830	12.8
171.11682	12.1
173.13268	22.7
175.14859	22.6
177.16435	17.6
185.13284	16.5
187.14871	18.7
189.16470	31.3
191.18015	9.4
199.14850	9.7
201.16415	16.4
203.18004	17.8
213.16423	10.0
215.17932	22.2
217.19569	11.2
225.16373	6.7
227.18016	9.9
229.19592	16.9
239.14877	6.2
243.21115	26.1
245.22803	7.7
253.19547	7.1
255.21066	12.2
257.22830	10.3
267.21216	7.8
269.22705	42.4
277.61356	6.6
405.35150	34.0
423.36459	100.0
424.36227	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	424.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12625	0.2
50.19889	0.2
53.03942	0.5
55.01874	0.3
57.07080	9.0
67.05508	0.2
69.03434	1.9
69.07026	0.2
81.03423	4.1
81.07054	0.2
85.02911	1.6
85.06570	1.1
91.05495	0.3
94.06557	0.3
95.08598	0.3
97.02889	2.3
98.20786	0.4
98.21442	0.5
99.04441	0.5
104.04997	0.8
105.07060	0.4
109.02885	1.9
109.10213	0.2
112.03944	0.2
119.08593	0.2
121.10143	0.4
122.06013	0.6
122.40362	0.2
127.03920	1.7
131.08560	0.2
132.03452	0.3
132.04459	5.5
133.10152	0.3
139.68857	0.2
145.04962	0.7
145.10123	0.2
156.09367	0.2
160.03931	0.4
178.05003	100.0
179.05357	1.5
193.82230	0.2
229.10713	2.7
247.11734	0.4
340.10916	0.2
424.16064	1.0
424.32880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35791	2.0
53.03935	4.1
54.78542	2.2
55.01871	12.6
56.61170	2.2
57.07078	7.1
58.03577	2.8
59.04980	2.8
65.09108	2.3
67.05492	7.9
69.03434	14.9
69.07063	9.6
69.51348	18.2
70.02959	4.9
71.04989	5.4
72.04514	20.7
73.02914	10.6
73.47182	2.2
74.15995	2.4
79.09727	2.2
81.03420	22.2
81.12158	2.2
83.04958	7.3
85.02929	12.7
85.06533	13.7
86.09698	7.7
87.08113	4.2
88.04017	2.3
90.05556	59.0
91.79729	2.2
95.04970	8.5
96.08144	3.3
97.02891	13.9
98.02446	19.2
98.21422	5.1
99.04453	8.4
100.03987	5.4
103.07600	4.1
108.70638	2.1
109.02886	31.7
110.76828	2.2
113.06003	6.7
116.03465	20.1
116.05743	2.5
124.07594	26.2
127.03916	25.0
132.06561	8.7
142.08664	19.3
145.04984	5.9
153.01859	9.7
158.22873	2.6
160.09705	7.9
166.08569	2.8
169.10178	2.3
172.09669	5.6
174.11287	6.3
184.09714	34.7
190.03439	3.4
199.06027	10.7
202.10759	100.0
203.11415	2.8
211.09671	12.0
211.11470	2.7
216.08720	5.2
217.07085	8.9
220.11792	34.8
230.10214	11.0
232.28583	2.4
234.09660	13.1
244.11792	4.1
262.10519	3.8
262.13022	12.8
310.12781	10.0
317.01144	4.6
328.13913	51.3
346.14761	12.1
364.16016	30.4
406.05383	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05516	11.4
57.07076	7.4
65.03953	4.1
67.05167	2.2
67.05508	34.1
69.07071	18.0
70.01903	2.3
70.02290	2.9
71.04996	3.4
71.08624	5.1
73.68733	1.0
79.05492	6.2
81.07063	17.4
81.68652	0.9
83.01338	3.4
83.04987	1.4
83.08630	10.7
85.10207	2.6
91.05487	4.0
93.07050	8.6
95.04974	12.3
95.08612	14.9
97.02882	1.1
97.06526	2.2
97.10174	6.3
98.21070	3.2
99.04453	8.8
105.07030	2.9
107.04955	1.9
107.08604	6.2
109.06506	3.2
109.10152	8.5
111.04447	1.6
111.11738	4.7
113.06020	3.3
119.08587	4.9
121.06567	1.9
121.10164	3.5
123.04443	16.4
123.08081	2.4
123.11703	4.8
125.06020	7.8
125.13264	1.3
127.07560	3.6
128.42036	1.2
131.08589	1.8
133.10143	3.3
135.08076	2.2
135.11699	3.3
137.09634	3.3
137.13251	2.5
139.07538	8.9
141.05470	100.0
143.08577	1.3
145.10109	2.5
147.11690	2.3
149.09656	5.6
149.10640	1.1
149.13252	2.5
151.07507	5.4
153.05528	1.4
153.09148	2.4
155.06984	1.3
159.11668	1.3
161.09648	2.2
163.07574	3.8
163.11176	2.0
163.14868	1.4
165.09117	9.6
167.03433	3.5
167.07045	4.0
167.10690	3.0
169.08589	12.8
173.13304	2.1
175.14836	1.8
177.05438	1.4
179.07115	1.2
179.10765	1.5
179.17937	1.1
181.08652	5.2
189.09167	2.3
189.12888	1.3
191.07063	3.6
191.10591	1.5
195.06541	12.8
197.11772	1.7
205.12442	1.5
207.10146	2.6
213.07582	2.8
219.06609	2.6
223.09595	1.3
267.19449	1.8
279.19766	1.3
345.31543	2.5
369.31573	1.6
387.28625	3.6
387.33096	5.2
405.29807	52.4
405.33823	50.4
406.30026	3.4
423.25235	7.0
423.35452	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.0
57.07064	4.9
63.36699	1.1
65.03934	3.0
67.05166	2.2
67.05503	28.6
67.64630	1.4
69.07072	13.7
71.04980	3.2
71.08616	4.5
71.38723	1.1
71.68823	1.1
79.05490	2.4
81.07058	12.9
83.08626	10.2
85.10192	2.9
93.07032	2.5
95.04969	13.2
95.08605	7.8
97.10150	4.3
98.20699	2.7
98.21397	5.0
99.04460	7.5
105.07024	1.9
107.08566	5.0
109.10146	7.3
111.11723	3.3
113.05973	5.3
119.08598	2.1
121.10145	3.4
123.04427	18.0
123.11709	3.5
125.05982	8.1
125.13232	2.3
131.08556	1.3
133.10162	1.7
135.11661	1.8
137.13284	1.4
139.07515	4.6
141.05464	100.0
145.10120	1.7
147.11668	3.2
149.09612	3.4
149.13266	1.7
151.11322	1.6
151.14781	1.4
153.09074	1.6
163.11296	1.3
164.54532	1.2
165.09106	1.4
167.10683	3.4
179.10750	1.4
183.10190	1.5
197.11687	2.9
205.12193	1.9
253.17937	1.4
300.99307	1.2
323.25916	1.5
345.31268	2.8
363.32718	1.9
369.31274	2.2
387.32700	7.9
405.33640	73.5
406.33902	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42154	1.4
53.03934	4.1
55.01861	2.2
55.05511	20.4
57.03437	2.9
57.07063	4.4
59.04988	2.2
61.12140	1.3
65.03942	3.0
67.05505	100.0
69.07073	19.4
70.06582	1.4
70.37557	1.7
70.37926	4.3
71.04976	4.2
79.05490	27.6
81.03389	2.1
81.07056	73.7
83.04969	3.1
83.08618	15.2
85.06539	4.6
91.05476	25.5
91.35516	1.3
93.07045	41.3
95.04955	3.7
95.08607	38.1
97.06537	5.8
97.10150	2.2
102.09211	1.4
105.07031	29.2
107.08597	41.3
108.19358	1.9
109.06528	3.0
109.10158	71.5
110.10492	2.1
111.08086	5.8
117.06294	1.3
117.06987	7.8
119.08584	48.4
121.06461	3.2
121.09307	2.1
121.10146	30.9
123.11736	11.9
129.07007	2.2
131.08569	20.8
133.10126	27.9
135.11703	20.6
137.09625	4.2
137.13240	2.3
139.07574	1.8
143.08537	5.6
145.10120	29.5
147.10617	2.2
147.11681	19.2
149.02364	7.2
149.09607	1.9
149.13254	19.1
150.02681	3.8
153.09114	2.3
155.10614	4.8
157.10135	6.0
158.10860	2.2
159.08101	1.4
159.11685	25.2
161.13258	17.7
163.14812	10.4
169.86395	1.6
171.11681	3.9
173.11725	18.3
173.13260	19.6
175.14825	21.6
177.12775	2.4
177.16396	9.0
183.76482	1.5
185.13260	4.5
187.14821	25.4
189.16382	40.1
191.17860	3.6
193.04980	5.5
194.05290	4.8
195.13766	8.5
197.13281	1.6
199.14841	5.2
201.16400	17.4
203.17973	12.2
205.12334	1.5
213.16397	5.9
215.18007	6.4
217.19472	1.4
221.18974	2.3
227.17892	1.7
229.19537	1.9
234.55174	1.3
235.16927	3.2
241.19495	6.0
243.21278	2.1
247.16959	4.8
249.18633	3.0
253.19496	2.1
255.21165	1.9
256.26337	2.2
257.26633	4.3
259.16937	2.1
261.18521	2.1
269.22818	1.7
281.22543	1.7
281.78125	1.7
285.18631	1.8
287.20099	6.4
294.15155	1.5
301.21454	1.6
302.44562	1.7
313.21729	1.5
377.32056	10.3
405.31320	2.0
423.27451	42.0
423.32526	44.9
424.32880	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01086	1.7
53.03953	3.7
55.01871	2.3
55.05510	18.6
57.03434	3.8
57.07067	7.4
59.04985	2.3
65.03938	5.5
67.05502	71.1
68.05836	1.9
69.03428	7.9
69.07071	16.9
69.27679	7.2
69.28108	9.6
70.26561	1.9
70.67698	1.7
71.04984	2.6
79.05495	25.3
81.03418	5.5
81.07053	68.2
83.04979	9.0
83.08625	11.7
85.06541	6.5
91.05476	40.4
93.07041	60.0
93.34526	1.6
95.04982	8.8
95.08605	72.9
97.06529	5.2
97.10172	5.5
97.86242	1.9
98.21149	9.7
99.08092	36.8
103.05476	2.5
105.07026	67.1
106.07363	1.6
107.04990	2.7
107.08592	68.7
108.08907	1.8
109.06508	6.4
109.10152	66.9
111.08081	9.0
116.06162	2.1
117.06995	17.2
119.08576	100.0
121.06519	3.3
121.10133	50.5
121.11014	2.5
123.08062	5.7
123.11711	18.4
125.09628	18.5
128.06201	5.2
129.06976	10.3
131.08563	72.8
132.08852	2.2
133.10127	56.7
135.08028	3.2
135.11693	22.4
137.09622	8.9
137.13222	3.4
141.06970	3.4
142.07784	5.8
143.08569	26.6
144.09322	4.9
145.10117	54.7
147.08138	2.2
147.11685	35.8
149.05916	1.8
149.09627	4.3
149.13268	18.7
151.07597	3.6
151.11157	7.6
155.08571	7.5
155.10612	2.2
156.09326	6.5
157.10117	31.6
158.10818	3.9
159.08054	2.4
159.11687	42.8
161.09669	3.8
161.13225	17.8
163.11172	1.9
163.14810	11.3
165.09149	2.6
165.12735	1.7
165.64091	2.0
167.62257	1.8
168.09322	2.4
169.10121	12.9
170.10880	6.0
171.11681	24.6
173.09634	2.6
173.11818	5.6
173.13243	52.0
175.11093	2.3
175.14801	17.3
177.12683	4.8
177.16393	12.3
179.10791	1.9
179.14490	1.8
181.10168	3.8
182.10986	3.3
183.11682	16.4
184.12318	2.4
185.13251	53.0
187.11218	2.7
187.14822	36.2
189.09087	1.8
189.12733	2.4
189.16380	24.1
189.17915	2.9
191.14302	7.6
191.17938	1.9
195.11732	5.2
195.13814	3.3
197.13214	10.1
199.14827	25.2
201.12718	2.6
201.16406	20.8
203.14285	13.0
203.17982	4.4
205.15886	7.1
205.19479	2.1
207.11784	2.9
207.17401	5.0
209.13274	5.4
210.13966	3.1
211.14824	23.2
213.16451	14.8
215.14426	5.3
215.17876	9.0
217.15907	7.6
219.17439	2.8
223.14839	6.7
225.16370	7.6
227.17972	5.9
229.15848	6.6
231.17456	3.2
237.16338	2.2
239.18028	3.9
241.19533	4.3
243.17462	4.4
251.17993	2.5
253.19502	6.2
255.17442	2.3
257.18945	3.8
259.17114	2.0
265.19519	3.8
269.18896	2.5
277.19391	2.9
283.20486	8.9
297.22076	2.5
311.23715	3.4
333.25763	5.3
351.26758	19.5
387.30188	7.2
393.31076	4.6
405.31467	36.1
406.31607	2.5
423.27121	18.8
423.32529	72.1
424.32968	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	423.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37888	2.5
55.05515	4.6
57.07069	9.7
65.03961	3.9
67.05503	33.5
69.07072	23.5
69.54075	16.1
71.04994	4.5
71.08641	3.2
79.05489	5.4
81.07059	18.7
83.04976	2.7
83.08624	11.2
91.05479	4.0
93.07056	8.2
95.04975	10.9
95.08609	18.2
97.06542	2.7
97.10223	5.8
98.20739	5.2
98.21354	7.5
99.04468	5.4
105.07028	7.0
107.05011	2.5
107.08596	6.6
109.10155	10.6
113.05952	4.3
117.07037	2.4
119.08569	6.1
121.10190	4.7
123.04424	15.8
123.11670	6.2
125.05979	7.9
129.71458	2.6
133.10155	4.5
139.07532	4.6
141.05469	100.0
141.06541	5.2
145.10138	2.6
147.10471	2.3
147.11708	3.5
149.13242	3.4
153.05518	3.1
159.11685	7.1
167.10582	3.9
187.14859	3.2
197.50055	2.6
203.03859	2.3
387.32550	8.4
405.33630	85.4
406.34137	3.8
423.31680	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.01880	7.2
55.05515	36.9
57.07075	37.2
59.04995	5.3
67.05509	57.7
69.03434	6.4
69.07072	44.1
71.04977	5.9
71.08613	5.4
71.57088	6.8
73.06561	6.2
76.94022	3.6
79.05501	26.9
79.93703	3.8
81.07063	100.0
83.01354	29.8
83.04986	29.3
83.08628	27.1
85.02907	15.0
85.06538	23.9
91.05479	20.9
93.07047	56.1
95.04948	6.5
95.08615	96.9
95.09231	5.7
97.06537	10.6
97.10179	15.0
97.21581	3.7
98.21078	4.4
99.08100	6.0
101.02386	6.3
105.07047	31.4
106.67200	4.0
107.05025	6.2
107.08592	57.7
109.06529	12.0
109.10166	75.7
111.08058	5.2
111.11749	5.8
113.02389	8.8
117.06996	7.7
119.08575	38.5
120.08116	4.2
121.06516	11.7
121.10140	52.4
123.08083	15.3
123.11723	39.6
125.06021	27.0
125.09626	4.8
127.03918	26.8
129.06998	4.3
131.08582	17.2
133.10124	33.1
135.08012	4.8
135.11673	25.6
136.12177	4.2
137.06006	15.5
137.09647	12.8
137.13242	11.4
142.07710	3.7
143.08508	8.2
145.10127	17.8
147.08102	3.9
147.11679	14.4
149.09615	13.3
149.13257	28.4
151.07524	28.1
151.11206	5.1
153.12737	4.0
157.10162	8.9
159.11748	16.8
161.13216	11.2
163.14873	15.0
165.09103	17.9
167.10640	5.5
169.08624	5.7
171.11720	7.7
173.13246	13.1
175.14864	8.1
177.09122	17.6
177.16403	11.5
183.10196	35.5
187.14816	16.2
189.16402	12.9
191.10738	6.2
191.17998	8.8
195.10182	12.5
197.11769	7.5
199.14796	6.7
201.12674	5.2
201.16365	6.7
203.18051	5.1
205.19466	4.7
209.11754	8.2
211.13231	7.0
213.16437	6.3
215.17947	5.9
217.15851	3.7
217.19600	4.7
219.06526	6.0
219.13835	5.0
221.15450	5.3
223.13277	7.5
225.14844	9.7
227.17949	4.7
233.15488	5.7
237.14912	5.7
239.16431	7.0
241.19901	4.1
245.18924	4.0
251.16408	13.3
265.18048	13.1
269.22446	4.2
283.18640	5.0
302.06030	4.2
303.23245	5.1
319.22800	5.1
321.24255	21.6
331.22751	29.2
335.26099	6.6
349.23822	36.9
367.24921	7.7
378.76422	4.5
387.28912	11.5
405.29587	53.1
405.34003	11.0
423.25293	8.2
423.32220	18.0
423.36270	20.9
424.26596	4.1
429.27563	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.05510	12.9
57.07065	4.7
57.87544	1.6
60.06319	1.6
63.07942	1.5
65.03919	3.8
66.29572	1.9
67.05164	2.5
67.05503	25.4
69.03426	2.7
69.07069	16.0
69.53840	2.8
69.54145	12.3
79.05489	22.8
81.07055	42.5
83.04958	7.2
83.08623	8.8
85.02906	3.6
85.06523	4.0
91.04952	2.8
91.05478	31.7
91.45272	1.6
93.07037	45.9
95.04971	4.7
95.08604	60.0
97.06534	3.7
97.10208	2.8
98.21397	3.8
99.08095	29.2
103.05440	1.7
104.99042	1.7
105.07029	76.8
107.08591	71.5
109.06506	6.0
109.10149	34.5
111.08099	4.1
111.09899	1.7
115.05444	1.8
116.06217	2.4
117.07031	14.0
119.08576	100.0
121.06440	2.7
121.10145	51.8
123.04385	2.5
123.08047	4.3
123.11703	12.9
125.09634	10.5
126.88410	1.8
127.07552	1.8
128.06230	4.8
129.07001	4.7
130.07790	2.8
131.08565	63.2
131.09512	3.9
133.10118	52.2
135.08038	3.4
135.11670	21.7
137.09610	6.5
137.13234	2.6
141.07033	3.5
142.07767	4.6
143.08551	21.8
144.09305	3.5
145.10118	60.5
146.10614	2.1
147.08029	2.9
147.11688	30.6
149.09595	3.2
149.13260	17.4
151.03987	2.4
151.11180	6.0
154.07751	2.5
155.08566	7.6
156.09335	7.1
157.10124	29.7
158.10869	4.1
159.08012	3.1
159.11685	39.4
161.09650	5.2
161.13277	25.9
163.11192	3.7
163.14832	11.8
167.08548	2.1
168.09305	2.1
169.10100	9.9
170.10905	6.3
171.11708	24.4
173.09654	4.2
173.13263	52.2
175.11198	3.9
175.14842	23.5
177.12741	3.3
177.16377	15.2
181.10103	3.3
183.11673	17.5
184.12361	2.2
185.13249	52.1
187.11261	2.5
187.14815	50.8
189.12811	3.1
189.16394	31.5
191.14316	10.7
193.15906	2.2
195.11722	6.1
196.12350	2.5
197.13200	13.6
199.14786	26.5
201.12732	6.4
201.16397	36.4
203.14284	13.3
203.17947	5.1
205.15820	8.1
205.89044	1.9
207.17419	6.0
209.13245	2.6
211.14801	16.8
213.12900	1.9
213.16360	13.1
215.14403	8.2
215.17900	9.9
217.15877	12.1
219.17441	3.3
221.13333	2.8
221.15337	2.1
223.14836	6.0
225.16452	6.1
227.17981	6.3
229.15804	8.2
229.19522	2.7
231.17432	3.1
233.19048	2.4
237.16362	6.1
239.18112	3.3
241.15915	2.1
241.19437	5.2
243.17404	7.4
249.16174	2.8
251.18019	4.0
253.19437	4.5
255.17261	2.4
255.21077	2.4
257.18964	2.2
265.19525	5.7
269.19012	2.2
277.19342	3.1
279.20975	2.6
283.20422	8.6
293.22638	2.5
311.23798	2.8
317.22736	3.1
333.25739	3.5
335.23541	2.7
339.26834	2.2
342.36047	1.8
351.26794	13.3
365.28400	2.7
377.31934	2.6
387.30429	6.6
393.31714	5.5
395.32852	4.7
405.31494	47.1
423.32562	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
Peak:m/z	Relative Intensity
53.03948	6.5
55.01857	8.8
55.05509	40.8
57.03436	5.0
57.07076	43.9
59.86429	4.7
62.05616	4.1
65.03972	4.7
67.05508	67.1
69.03426	13.5
69.06712	6.3
69.07070	59.2
71.04999	9.1
71.08627	7.7
71.57035	6.0
73.06545	7.6
79.05489	34.4
81.03387	5.4
81.07060	100.0
83.01347	34.9
83.04993	30.1
83.08617	32.7
83.93890	4.0
85.02876	5.1
85.06557	23.5
86.33727	3.9
87.30669	3.9
89.06034	5.3
91.05489	20.3
93.07050	54.3
95.04967	15.6
95.08047	6.8
95.08612	98.6
97.06558	6.0
97.10143	13.2
101.02396	9.3
105.07032	38.8
107.08603	51.8
109.02864	7.3
109.06489	13.2
109.10162	75.1
111.04407	4.6
111.08095	8.5
111.11708	11.1
113.02367	16.0
115.03920	6.4
117.06984	5.7
119.08610	43.9
121.06563	6.6
121.10139	51.0
123.04462	4.5
123.08051	13.5
123.11681	39.1
125.05981	15.8
125.09680	7.3
127.03922	47.3
131.08569	16.2
131.89285	4.6
133.06447	4.8
133.10115	26.1
135.08073	6.3
135.11691	33.5
137.05991	20.6
137.09549	10.3
137.13261	18.8
137.59923	4.8
139.11212	5.3
141.05482	5.3
143.08560	9.0
145.10127	24.7
147.08031	4.6
147.11696	21.0
149.09583	21.3
149.13272	31.1
151.07570	33.8
151.14807	7.0
152.98650	4.4
157.10101	7.7
159.08064	5.9
159.11710	22.0
161.09621	7.7
161.13249	11.9
163.11145	4.1
163.14850	13.2
165.09143	34.2
165.12819	4.0
169.08618	8.1
171.11708	11.5
173.13254	9.0
175.14810	12.0
177.09116	17.7
177.12695	7.8
177.16357	8.0
179.14211	5.1
183.10164	32.8
185.13268	6.6
187.14813	12.6
189.16402	14.4
191.10716	10.4
191.17958	5.4
192.60689	4.5
195.10190	11.2
197.11705	8.6
201.16441	7.2
203.18011	7.0
205.12321	6.1
209.11717	7.5
211.13266	7.8
215.17880	4.4
217.12225	5.9
219.93921	4.7
223.13089	5.4
227.17957	7.7
237.14778	7.2
239.16544	6.8
245.29707	4.0
247.41946	4.2
251.16475	13.5
265.17966	11.4
305.21030	5.6
319.22690	5.2
321.24268	38.7
331.22610	39.4
349.23734	67.1
367.24554	5.5
387.28830	23.5
405.29892	78.8
405.33954	6.5
423.27213	7.3
423.31989	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	423.3105
Annotation	19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
Peak:m/z	Relative Intensity
55.05514	31.1
57.07072	65.1
65.03965	5.0
67.05504	50.9
67.39919	4.0
69.07063	45.7
71.04977	7.3
71.08617	4.8
71.57778	6.3
73.06538	6.8
79.05490	26.9
79.21992	3.8
81.07058	100.0
83.04959	26.1
83.08620	35.4
85.06543	37.6
91.05486	26.7
93.07042	58.5
95.08603	97.9
97.06506	8.8
97.10169	15.0
105.07040	42.5
107.04942	6.5
107.08590	62.0
109.06532	22.7
109.10163	78.1
117.07047	7.7
119.08570	54.7
121.06488	11.8
121.10134	46.3
123.08066	16.1
123.11714	39.1
127.11137	5.0
129.06938	5.6
131.08549	13.6
132.49693	4.0
133.10117	42.0
135.08057	17.9
135.11688	24.7
136.15958	3.9
137.09593	14.3
137.13258	13.7
139.07538	5.7
143.08574	9.4
145.06454	8.5
145.10191	22.3
147.08026	9.7
147.11646	21.6
149.09628	21.3
149.13274	22.2
151.11140	8.1
151.14873	4.9
155.07018	7.4
157.10156	5.7
159.08018	5.0
159.11723	22.8
161.13251	18.7
163.07564	10.3
163.11134	6.3
163.14803	13.3
165.09087	13.5
165.12862	5.2
167.07007	23.2
169.08646	5.6
171.11725	5.6
173.13255	11.9
175.11165	4.5
175.14816	9.5
177.09093	13.9
177.16403	9.0
179.10582	4.5
179.60573	4.3
183.10205	4.5
187.14804	19.1
189.12733	5.3
189.16356	15.3
191.10623	7.1
191.14331	4.4
197.13217	4.7
201.16383	12.5
203.14343	4.2
203.17998	5.1
211.14899	4.8
213.16357	7.8
215.14395	6.4
217.47430	4.3
219.13858	5.0
221.19229	3.9
229.19475	3.9
233.15372	4.7
257.22501	5.9
269.22504	5.1
275.23758	10.2
285.22049	8.9
303.23160	54.7
313.21957	4.6
317.24606	5.0
321.24286	41.1
331.22739	10.0
331.29883	9.7
341.28137	7.8
349.23654	9.4
359.29398	24.6
367.24802	14.4
367.69724	4.5
369.27802	13.2
370.88983	5.3
386.28915	4.9
387.28729	29.1
405.30008	57.8
423.25177	10.1
423.31976	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
51.94718	0.7
53.03943	2.2
55.01873	1.7
55.05513	13.1
57.03434	3.5
57.07070	1.6
59.04988	3.3
62.41525	0.7
65.03946	2.2
66.13750	0.8
67.05507	100.0
69.03414	1.6
69.07078	10.1
70.83366	1.7
71.04999	4.1
77.03934	1.0
79.05493	20.6
81.03431	1.5
81.07059	48.5
83.04975	3.5
83.08624	11.9
84.88084	0.8
85.06548	3.8
91.05479	14.5
93.07049	28.1
95.04948	3.3
95.08601	13.1
95.09150	1.1
97.06544	4.6
97.10195	1.6
98.20794	0.8
98.21352	1.0
99.08095	1.4
105.04550	1.0
105.07040	5.5
107.08592	16.6
109.06554	1.1
109.10160	58.8
111.08083	4.9
117.07019	3.7
119.08569	6.6
121.06522	0.9
121.10132	6.4
123.11745	1.6
125.09685	1.2
131.08568	3.8
133.10124	6.4
135.08049	1.1
135.11723	6.1
137.09586	2.8
143.08559	1.1
145.10188	1.5
147.11700	1.4
149.13246	13.6
155.10667	3.8
159.11710	7.7
171.11710	1.0
173.11748	15.0
173.13167	1.4
177.12756	3.2
186.26767	0.8
187.14882	1.4
195.13814	9.3
213.14912	1.0
237.04858	0.7
316.85504	0.9
423.27420	44.9
423.32028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03928	3.6
55.01870	5.8
55.05513	30.4
57.03440	3.4
57.07059	3.9
65.03935	3.2
66.99486	2.4
67.05505	100.0
69.03418	3.9
69.07066	30.1
70.04937	11.4
71.04968	4.4
74.44095	2.4
79.05492	37.2
81.03412	5.1
81.07058	86.3
83.04964	5.7
83.08618	10.7
85.06541	5.8
91.05490	20.6
93.06456	4.5
93.07044	46.7
95.04958	4.9
95.08607	64.1
97.02868	8.1
97.06530	8.1
97.10178	4.2
98.20994	5.0
99.08134	2.5
105.07024	17.5
107.08595	31.4
109.02882	4.5
109.06487	4.3
109.09449	4.1
109.10159	54.4
110.39562	2.4
111.04420	2.5
111.08086	5.3
117.07056	5.8
119.08582	23.2
120.70080	2.1
121.10139	27.0
123.04415	2.9
123.08070	4.2
123.11687	12.7
125.05978	8.1
127.03922	67.1
131.08559	9.8
133.10133	15.7
135.08087	2.4
135.11702	16.0
137.05969	4.6
137.13248	7.1
139.03926	15.3
141.13097	2.1
143.08505	3.0
145.10120	10.2
147.11734	11.1
149.09616	3.3
149.13263	20.4
151.07474	3.5
151.14848	2.3
153.01830	43.4
155.07069	15.9
157.10138	5.1
159.11665	11.9
161.13255	8.7
163.03882	3.9
163.14783	6.6
165.05464	3.8
165.09148	6.9
173.11714	9.7
173.13255	8.2
175.07964	2.5
175.14813	7.3
177.12703	3.8
177.16333	4.1
181.04935	9.6
185.13237	4.2
187.14825	14.1
189.16371	7.8
190.77814	2.3
193.08566	3.1
195.13846	7.2
199.14740	4.4
201.16342	4.3
203.17972	4.0
215.17949	2.9
243.21202	4.0
254.59624	2.4
261.22137	12.6
279.23215	28.2
377.31912	3.5
387.25168	2.7
423.27194	20.3
423.32553	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03948	2.6
55.01863	3.0
55.05515	18.0
57.03426	4.1
57.07071	4.0
59.05011	7.5
62.21837	1.3
65.03940	3.4
67.05508	100.0
69.03423	3.0
69.07071	15.1
71.04990	4.3
71.08631	1.5
71.56783	1.8
75.36324	1.4
79.05493	25.4
81.03416	2.1
81.07061	64.7
81.35206	1.2
81.50426	1.5
83.01327	1.7
83.04979	5.2
83.08637	11.0
85.06539	5.2
91.05482	21.4
93.07050	36.5
95.04966	5.3
95.08053	2.3
95.08612	31.8
97.06535	7.1
97.10175	2.9
99.08056	3.4
105.07046	17.2
107.08596	24.9
109.06528	3.3
109.10158	55.4
111.08086	6.9
117.07001	4.4
119.08580	18.5
121.06537	1.9
121.10149	18.4
123.08067	4.0
123.11709	9.3
125.09628	1.6
127.03912	3.6
131.08566	15.1
133.10136	14.2
135.08049	2.8
135.11688	12.4
137.09630	3.7
137.13280	3.1
139.03906	1.9
139.07590	2.4
139.11191	2.2
143.08572	4.6
145.10132	12.6
146.89000	1.4
147.07950	1.4
147.11723	8.4
149.09584	2.9
149.13263	16.5
151.11197	2.1
151.16768	1.2
153.01860	8.6
153.05408	2.9
155.08598	2.0
155.10695	3.3
157.10158	5.8
159.11702	11.8
161.13254	3.4
163.11098	1.6
163.14848	3.8
165.12717	1.7
169.10126	2.5
171.11681	3.8
173.11734	14.3
173.13278	6.2
175.14876	6.9
177.12738	4.4
179.14330	1.6
182.10959	1.3
183.11703	2.5
183.16551	1.3
185.13260	3.4
187.13402	1.9
187.14796	7.8
189.16412	2.7
191.14284	1.6
195.12080	1.5
195.13753	6.6
197.13261	2.3
199.14824	3.3
201.12747	2.9
201.16400	5.0
203.14343	2.6
203.17996	3.7
213.16484	2.7
215.17998	2.8
229.19489	1.9
243.21112	1.9
253.19449	1.9
359.25769	2.8
377.27170	1.5
386.06946	1.5
387.25262	5.4
387.30093	3.2
405.26242	7.2
405.31448	14.0
423.27356	47.6
423.32587	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67308	1.5
55.01869	3.8
55.05516	3.2
61.01151	7.9
67.05506	2.0
69.03426	2.5
69.07043	1.8
71.04991	2.5
71.56610	2.6
72.04527	11.5
73.02917	3.2
78.03790	18.1
79.05499	1.6
81.03421	4.1
83.05003	3.2
85.02901	9.2
85.06531	3.5
86.09707	2.4
87.04479	2.0
88.02215	5.0
91.05491	1.9
95.04972	4.0
97.06556	2.8
98.02358	2.5
99.04446	6.0
99.05568	3.0
102.02277	1.5
102.03770	27.7
103.02151	1.8
103.03937	15.7
109.02879	8.7
113.05984	2.6
114.03767	3.7
114.05553	2.3
120.04774	5.1
121.16048	1.6
123.04427	4.7
126.05521	20.3
127.03958	7.6
131.06337	11.4
132.04787	15.6
133.40552	1.6
142.08636	5.3
145.04942	2.3
146.67726	1.8
147.04344	1.7
147.05739	1.5
149.07442	55.2
151.03886	1.9
152.07048	3.5
153.01831	5.3
154.08580	2.1
155.33231	1.4
159.05878	5.0
167.06981	1.5
175.05353	3.5
180.06558	14.0
184.09747	1.6
198.07631	3.2
216.08717	2.0
231.11673	4.9
239.08275	2.0
257.09668	2.0
257.66064	1.9
261.12671	3.9
275.10498	2.8
293.11661	100.0
294.11981	3.5
299.10309	3.5
327.09689	4.6
345.10779	6.0
387.11865	4.9
405.12628	6.3
405.17117	35.6
423.13800	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.8
57.03435	4.3
57.07069	8.7
62.60364	3.0
62.67372	2.9
64.00107	2.7
67.05511	97.7
68.99797	3.9
69.07071	21.8
69.72058	16.7
70.73207	2.5
71.04961	3.4
71.08636	15.5
77.05810	3.1
79.05487	30.0
81.07064	100.0
83.04984	7.4
83.08640	16.4
85.06519	3.0
85.10188	8.3
91.05497	22.3
93.07053	33.5
95.04976	5.1
95.08611	55.3
97.06542	6.1
97.10179	3.3
98.20927	5.4
98.21474	5.1
99.08092	11.7
105.07038	14.0
107.08604	31.9
109.06525	3.1
109.10165	56.3
111.08051	5.5
113.09656	16.4
117.06991	3.8
119.07881	2.9
119.08588	15.5
121.10165	20.3
123.04460	3.4
123.11718	9.7
125.05994	4.3
127.03920	40.1
131.08598	13.4
133.10136	19.3
135.11703	12.8
137.13272	9.9
139.03911	17.6
143.08557	3.9
145.10146	10.6
147.11697	17.4
149.09692	4.5
149.13258	23.2
151.11250	3.3
151.14883	3.8
153.01839	76.5
153.12735	3.6
154.10538	2.8
157.10168	4.5
159.11710	12.5
161.13272	6.3
163.03885	3.3
163.11115	3.8
163.14743	3.4
165.05510	7.0
165.12715	6.0
167.07021	2.9
171.11681	4.0
173.11781	5.0
173.13309	9.2
175.14815	3.1
177.12663	3.2
181.04971	4.9
181.15860	4.5
187.14871	6.9
189.16364	6.3
217.58116	2.8
243.21010	5.1
261.22195	11.1
279.23209	34.3
286.88797	3.6
332.06781	3.1
387.25198	4.9
405.26584	3.7
423.27206	24.3
423.32645	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.8
53.03960	2.4
55.01867	1.4
55.05515	12.5
57.03444	3.9
57.07085	2.0
59.05008	3.4
65.03944	2.6
67.05508	100.0
69.07076	10.4
69.50260	5.5
71.05008	4.4
79.05493	17.9
80.04385	0.8
81.03448	1.4
81.07059	42.5
83.04993	3.0
83.08630	10.4
85.06540	4.4
86.50615	0.7
87.24739	0.7
88.16100	0.7
91.05489	13.5
93.07050	28.9
95.04992	2.9
95.08604	12.1
97.06554	4.0
98.20844	1.5
98.21483	1.7
99.08127	0.9
105.07023	4.2
107.08606	13.8
109.06538	0.9
109.10164	55.6
111.08100	5.9
117.07040	3.3
119.08583	6.1
121.10143	7.3
123.11732	1.8
123.67413	0.8
130.85956	0.7
131.08606	3.2
133.10135	4.5
135.08075	1.8
135.11711	4.5
137.09663	2.3
145.10263	1.1
149.09589	0.9
149.13264	16.9
155.10690	4.4
159.11702	6.4
163.31946	0.7
173.11755	18.5
177.12782	3.0
185.61304	0.7
195.13838	9.1
213.14893	0.9
225.83104	0.7
423.27457	50.9
423.31836	1.8
424.28055	1.1
437.77078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.6
56.96548	7.3
67.05508	62.4
68.05846	10.0
69.07066	11.3
70.49580	5.9
79.05482	23.3
80.05840	7.1
81.07074	39.4
83.01345	6.8
83.04954	6.7
83.08624	14.0
85.02914	7.5
91.05474	30.2
91.24465	7.2
93.07040	32.7
94.07391	7.8
95.04985	16.9
95.08582	22.2
96.08905	10.7
98.21124	36.4
103.05461	40.0
105.07018	29.0
107.04944	49.5
107.08595	17.0
109.10149	24.4
115.05493	9.4
117.07026	15.1
119.08562	11.4
121.06526	11.4
121.10138	13.1
128.06215	8.7
131.04922	69.2
131.08530	9.8
133.06520	8.2
133.10068	8.4
134.10425	8.3
135.08041	9.1
135.11787	7.0
137.05984	17.1
141.49553	6.4
143.08615	11.2
145.10123	7.9
147.11678	8.0
149.05986	11.4
151.07613	7.1
161.09659	9.1
162.06744	9.8
163.07565	66.6
164.08322	14.3
165.09071	7.9
167.07005	34.4
168.07344	10.1
171.08026	12.4
175.07562	51.5
175.11247	14.9
203.10696	100.0
263.12750	34.8
299.12500	7.5
330.21402	13.5
348.22247	7.0
387.17889	13.4
404.29037	11.0
422.25940	17.3
432.09717	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	422.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
57.03408	0.4
58.80751	0.3
67.05511	2.5
68.05816	0.5
69.07060	0.8
70.29612	1.2
73.83333	0.3
79.05492	1.6
81.03411	0.7
81.07044	1.8
82.05416	0.3
85.29478	0.3
87.68167	0.3
91.05486	1.7
93.07040	1.1
94.04175	1.1
95.04942	1.1
95.08623	1.0
96.08942	0.3
96.18587	0.3
98.21212	0.8
101.12277	0.4
103.05476	0.4
105.07027	1.2
107.04901	0.5
107.08625	0.5
108.08927	0.4
109.10150	1.4
110.10467	0.6
111.04509	0.4
119.08578	0.6
121.06492	0.5
122.03648	3.9
131.08524	0.5
133.06540	0.6
133.10092	0.4
134.10439	0.4
137.05980	100.0
138.06313	1.4
145.10155	0.4
149.13254	0.4
151.07510	0.4
163.07564	1.9
163.11078	0.5
173.11722	0.3
181.08623	4.0
181.12341	0.4
207.10255	0.5
269.12210	0.4
312.20667	0.5
326.39169	0.3
330.21567	1.2
404.25259	1.4
407.43411	0.4
422.26331	2.0
422.31284	0.6
432.48462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.0
55.05506	24.1
57.03437	12.1
59.64422	7.4
61.08684	7.9
65.03948	6.8
66.64890	6.6
67.05510	66.4
69.07064	25.6
69.75999	35.2
69.76415	15.6
79.05496	63.5
81.07060	64.4
83.04990	9.4
83.08621	13.6
85.10148	9.7
91.05482	69.5
93.07044	88.9
95.04974	15.2
95.08605	54.4
97.10163	13.0
98.21181	24.8
100.50764	6.0
105.07032	72.4
107.08601	73.0
108.08894	7.1
109.06533	11.9
109.10149	28.4
113.09639	9.7
117.07020	9.8
119.08588	61.2
121.10151	32.5
123.08080	14.6
123.11714	21.3
125.09635	100.0
129.06982	9.3
131.08580	49.4
133.10107	35.8
135.07939	8.3
135.11661	13.6
135.21107	7.1
137.09616	17.0
137.13214	8.9
143.08554	12.3
145.10149	40.5
147.08043	8.3
147.11676	25.0
149.09625	10.3
149.13281	12.0
151.11224	11.9
155.07019	9.8
157.10164	24.7
159.11705	22.4
161.09529	9.6
161.13261	15.3
163.11205	18.9
164.38791	6.9
171.11725	13.8
173.13260	13.4
175.14845	7.9
178.41345	7.7
179.25874	6.5
181.04968	13.9
185.13240	12.0
195.17474	14.8
199.14880	11.0
200.04611	6.3
207.13727	14.8
223.16936	8.5
257.19049	19.9
269.22797	8.7
275.20078	12.3
285.22266	7.2
287.23721	16.4
303.42474	6.7
305.77240	6.7
313.21753	7.3
341.24802	30.1
343.26306	65.1
359.25803	33.9
369.24399	10.7
387.25305	71.9
423.32358	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
54.29008	3.0
55.01869	6.0
55.05510	16.6
57.07074	18.9
61.72895	2.4
63.96325	2.8
67.05235	2.3
67.05511	25.1
69.06781	2.5
69.07072	35.5
71.08625	5.1
71.50471	2.9
73.26091	2.7
79.05476	7.7
81.07048	20.5
83.08618	19.9
85.06516	4.0
89.06033	5.0
91.05471	12.0
93.07047	59.2
94.52270	2.6
95.04945	2.6
95.08600	61.6
97.10162	11.7
98.21374	3.7
105.07021	10.7
107.08595	22.6
109.10154	26.1
111.08078	29.6
111.11701	6.4
113.34448	2.5
119.08591	25.5
121.06478	3.9
121.10120	18.0
123.08054	4.6
123.11690	9.2
125.09633	2.8
127.07545	5.6
131.08563	3.6
133.10138	35.7
135.07999	3.7
135.11682	9.0
137.13190	2.7
139.07538	30.6
143.08546	4.7
145.10114	14.9
147.11674	9.1
149.13301	3.5
151.11160	3.7
153.09084	22.7
156.72636	3.3
157.08678	4.0
157.10130	8.6
159.11629	8.4
161.13251	12.7
167.10658	10.3
169.10056	5.7
171.11708	11.4
173.13203	5.6
175.14769	4.4
179.10632	3.5
179.14352	4.5
180.10533	2.5
181.12173	8.8
183.11684	6.2
185.13242	6.1
187.14789	6.5
191.17909	6.7
195.13782	8.7
197.13219	6.2
199.14804	5.9
201.16399	3.8
202.70686	2.8
203.17937	3.3
205.19600	3.1
207.07256	2.6
207.13753	3.3
209.13264	3.5
209.15251	5.4
215.18004	5.4
217.15880	17.1
217.19495	25.5
223.16869	6.5
283.20764	3.0
335.27258	5.3
403.35825	89.8
421.36746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01873	0.5
55.17738	0.4
56.96571	0.4
57.03422	1.2
61.02925	0.7
69.03436	2.8
70.30128	1.6
70.91525	0.3
73.02930	0.7
74.00680	0.9
81.03414	1.0
83.08250	0.3
84.04487	0.7
85.02908	6.4
97.02892	3.0
98.21309	0.8
98.97591	0.9
99.04430	0.5
100.02203	4.1
101.02538	1.4
109.02879	1.3
111.04372	0.5
115.02144	1.9
116.98590	0.6
119.01922	0.5
120.01125	0.8
127.03939	1.8
130.05013	0.6
139.03893	0.6
141.06566	0.4
143.01633	18.8
144.01953	0.4
145.04926	0.5
146.01610	0.6
146.02699	4.1
147.03165	2.3
147.04097	0.5
148.02184	0.6
153.01823	2.1
161.02962	0.6
171.01125	100.0
172.01456	1.2
177.03294	1.0
181.81882	0.3
214.07346	0.6
219.01659	0.6
221.05116	0.5
259.07498	1.5
260.05832	13.3
275.01874	0.4
302.07016	0.5
303.01520	1.0
304.01636	0.4
386.09158	0.4
422.13031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
50.54702	2.5
53.03943	4.1
55.01860	3.3
55.05519	17.3
55.05734	3.7
57.07083	27.3
57.60344	2.6
63.36417	2.7
67.05504	18.5
69.03428	2.9
69.07068	18.5
69.59250	15.5
71.08634	13.7
79.05499	20.5
79.23495	2.7
79.81709	2.5
81.07061	30.5
82.21801	2.7
83.01341	3.3
83.04973	12.1
83.08629	13.1
84.33973	2.4
85.06567	4.0
85.10166	8.7
89.06045	23.9
91.05468	8.0
93.07036	12.9
95.04970	3.4
95.08606	24.6
97.02864	3.0
97.06538	6.3
97.10163	10.6
98.20908	7.9
105.07030	11.8
107.04959	25.6
107.08595	9.5
109.06544	3.8
109.10159	16.1
111.04437	3.7
119.08604	12.9
121.10145	6.9
123.04378	3.1
123.11694	6.5
125.05996	91.0
131.08560	4.2
133.08609	14.1
133.10095	6.0
135.08018	3.8
135.11699	6.3
137.05988	5.1
137.13268	3.5
139.03903	19.8
139.07526	5.2
141.05499	17.0
145.10086	5.7
147.08086	5.1
147.11739	4.7
149.13289	5.1
150.52266	2.3
150.53894	2.4
150.62337	2.6
151.07556	4.3
153.05467	23.7
155.07034	15.1
161.13280	4.6
163.14815	4.1
163.87480	2.7
167.03410	100.0
167.07033	10.7
169.04939	4.6
175.11221	3.0
175.14796	3.0
179.07072	5.4
181.04968	20.6
181.08669	2.5
191.07062	3.5
195.06540	5.6
205.08499	2.7
207.10187	3.5
209.08031	4.1
219.20940	2.5
241.04239	2.8
245.22620	4.4
263.23770	3.9
319.26358	6.7
347.26010	2.8
349.14700	2.6
361.23700	11.8
385.27237	6.0
403.27423	20.0
403.32120	15.9
421.33490	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
55.05511	9.8
57.07077	19.9
59.98304	3.2
67.05505	19.4
69.07060	13.7
70.67264	7.5
70.67602	3.5
71.08628	11.2
76.45741	3.0
77.10511	3.0
79.05500	9.3
81.07062	31.0
82.94678	3.2
83.04971	3.6
83.08618	11.0
83.52690	3.2
85.06536	6.2
85.10204	3.5
89.06033	56.2
91.05505	3.2
93.07033	12.0
95.04971	5.6
95.08617	26.9
97.10146	6.0
98.21086	4.8
105.07041	8.2
107.08605	10.8
109.10157	14.9
110.62195	3.1
119.08602	8.1
121.10121	7.5
123.04442	14.3
123.11661	5.9
125.05988	4.5
133.08601	27.4
133.10123	7.3
137.05980	4.1
137.13275	4.1
139.03915	5.3
141.05452	28.6
145.10103	6.9
147.04533	3.1
149.13316	6.2
151.07561	3.9
153.05452	39.1
159.11749	4.4
163.14700	3.2
165.05496	3.1
167.03412	100.0
167.07054	5.0
169.05022	4.0
170.02078	3.9
177.11261	4.2
179.07021	11.1
195.06541	7.0
207.10118	8.1
207.25641	3.3
239.14926	13.9
263.23676	6.6
368.84854	3.4
385.27078	6.4
403.28287	27.6
403.36090	3.8
421.34836	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	421.331
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
53.03942	3.2
55.05508	8.6
55.15137	1.7
57.07079	62.7
65.03925	4.6
67.05510	36.2
69.07076	13.1
69.26411	15.5
71.04986	4.7
79.05499	3.7
81.07056	15.7
81.46449	1.5
83.08630	6.7
85.06546	41.4
91.05526	2.3
93.07047	4.1
94.34689	1.7
95.04967	13.3
95.08601	16.7
97.02919	3.0
97.06539	3.9
97.10170	5.1
98.20794	4.2
98.21446	3.8
99.04447	7.7
105.07044	4.5
107.04971	2.6
107.08589	4.0
109.10164	12.6
111.04482	3.0
111.11741	3.2
113.06028	3.2
119.08588	2.4
120.97131	1.7
121.06541	2.8
121.10142	3.4
123.04436	100.0
123.08038	3.1
123.11708	10.4
125.05997	31.8
125.06841	2.5
131.08595	2.7
133.10120	5.1
135.11737	3.4
137.06004	6.2
137.13208	3.9
139.07552	21.5
140.63611	1.4
141.04373	3.6
141.05473	73.7
147.11711	2.6
149.13261	5.3
151.07623	3.3
154.94685	1.6
163.11224	2.8
165.09114	5.3
181.12344	1.8
191.17967	2.3
207.13765	1.8
275.27429	1.8
281.28571	2.0
283.26471	8.1
296.56573	1.7
319.26346	13.3
343.30133	2.3
361.30951	9.1
375.32657	3.3
379.31992	2.3
385.31042	13.7
403.32086	92.9
404.32547	4.2
421.33170	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2585
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03941	4.8
55.05515	20.6
57.03431	4.5
57.07072	3.4
65.03938	3.3
67.05506	68.2
69.03446	5.2
69.07070	14.2
70.04152	13.1
71.05001	14.6
73.06541	2.9
74.92892	2.5
79.05492	47.6
81.03417	3.1
81.07061	55.7
83.04973	2.9
83.08615	10.5
89.30584	3.2
91.05475	26.4
93.07052	60.3
95.04971	11.0
95.08607	61.6
97.06553	5.5
97.10184	4.6
98.21193	6.0
99.08097	5.3
105.07024	27.9
107.08591	35.9
109.06506	6.5
109.10157	19.1
111.08079	4.9
113.09624	5.3
117.07037	7.9
119.08563	16.2
121.10156	34.9
123.04410	3.1
123.11742	5.4
125.09590	3.8
125.21318	2.8
127.03915	84.0
131.08565	10.6
132.14511	2.9
133.10130	19.7
135.08022	3.4
135.11687	20.5
137.05962	7.2
139.03900	30.3
143.08461	3.9
145.10118	11.5
147.11671	12.7
149.13263	15.3
153.01830	100.0
155.03384	4.0
155.06989	13.0
157.10144	4.2
159.11700	9.4
161.13255	7.7
163.03761	3.0
163.14827	3.7
165.05486	4.2
167.07076	2.9
171.11702	3.5
173.11890	3.4
173.13159	13.9
175.14836	4.3
181.04996	10.0
185.13266	6.1
187.14838	6.0
187.76353	2.5
189.16316	5.3
191.14339	2.6
193.08624	3.4
197.13283	3.1
203.06967	3.0
205.15868	3.1
222.86006	3.1
241.19513	4.5
257.11716	4.6
259.20578	11.5
277.21664	31.9
329.20773	3.0
385.23734	7.6
403.24637	8.2
421.25565	4.2
421.30835	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
52.12800	2.8
52.13058	2.5
55.01872	6.5
55.05512	17.6
57.03432	3.9
57.07085	14.7
67.05505	37.3
69.03396	2.7
69.07070	22.8
69.10085	2.2
71.04998	5.3
71.08632	4.1
71.58143	2.9
79.05491	16.6
81.03426	3.3
81.07059	51.1
83.01353	5.2
83.04965	5.9
83.08626	14.8
85.06555	6.5
91.05486	15.9
93.07048	23.3
95.04974	12.5
95.08607	39.6
97.02917	2.6
97.06541	4.9
97.10177	7.6
98.21342	2.2
105.07038	17.5
107.04925	3.6
107.08584	19.9
109.06516	4.6
109.10160	26.8
111.08098	2.8
111.11777	2.6
112.17010	2.7
117.07018	4.4
119.08600	19.2
121.06509	6.6
121.10133	11.6
123.08054	3.8
123.11725	11.6
125.05997	7.0
126.76234	2.1
129.06993	3.6
131.08586	10.6
133.10135	17.4
135.08051	6.0
135.11725	9.1
137.05983	3.2
137.09618	4.6
137.13231	3.7
139.07533	5.2
141.05473	2.5
143.08540	2.4
145.10075	4.5
147.08017	3.9
147.11714	5.8
149.09615	8.8
149.13312	5.3
151.07561	7.8
153.05516	4.2
155.07086	14.9
157.10159	5.4
159.11676	5.0
161.13316	4.5
163.11159	3.1
163.14871	4.6
167.07037	59.2
167.08405	3.8
169.10139	2.6
171.11755	3.5
175.07513	2.7
175.14870	4.8
179.06995	3.1
179.17979	3.6
181.04967	100.0
181.08458	3.8
182.05293	3.6
184.07265	3.5
185.13353	4.3
187.14854	3.3
189.16405	10.7
191.07066	15.4
193.08658	6.8
197.19057	8.0
205.08548	4.0
207.17442	17.1
221.11673	3.5
225.18556	8.1
227.17908	2.7
273.22141	2.6
277.18091	2.9
319.22940	3.8
329.21030	6.5
343.22681	7.4
347.21857	3.0
361.23743	50.2
375.28763	3.0
403.24579	3.8
421.25366	5.2
421.35046	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	421.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
53.20287	3.7
55.01876	13.2
55.05511	27.8
57.03437	5.7
58.33459	4.6
67.05502	80.2
67.32735	3.8
68.99801	4.1
69.07077	24.3
70.03949	8.7
70.04358	16.8
79.05498	68.5
81.03430	7.9
81.07059	76.2
83.04988	12.5
83.08632	17.0
91.05482	41.3
93.07048	61.6
95.04961	18.7
95.08611	84.5
97.06540	14.6
97.10133	7.7
98.20931	7.0
105.07027	27.3
107.04930	5.0
107.08577	42.9
109.06532	12.4
109.10159	34.1
111.04487	4.6
111.08073	9.8
113.09665	4.5
117.07023	9.2
119.08582	30.1
121.10145	37.3
123.04441	5.0
123.08058	5.7
125.09641	6.0
127.03915	88.2
127.04784	5.7
131.08574	16.0
133.10136	30.8
135.11713	31.6
137.05998	7.5
137.09612	6.7
139.03891	29.6
141.56023	5.4
143.08623	7.2
144.45226	4.0
145.10144	12.8
147.11661	22.5
149.09669	5.2
149.13286	17.5
153.01836	100.0
155.03465	4.4
155.07008	34.6
157.10158	9.7
159.11710	12.9
161.13248	11.1
163.03986	7.0
163.11235	6.0
163.14787	7.0
171.11667	8.2
173.11903	3.8
173.13287	12.0
175.14803	6.1
181.04959	18.2
185.13243	10.8
187.14876	8.0
199.14986	5.5
217.15924	6.4
219.17305	5.0
231.17374	7.2
241.19559	5.1
259.20511	7.3
277.21594	34.1
285.18103	4.7
291.54080	4.6
298.51480	5.1
329.21100	14.3
385.23590	10.7
403.24823	13.9
421.25772	14.4
421.30914	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01864	5.0
55.05516	25.8
57.03426	14.5
62.45918	3.5
67.05170	5.3
67.05510	69.0
69.03419	7.0
69.07079	18.3
71.04988	16.8
76.68876	3.6
79.05502	61.9
81.03422	10.4
81.07066	72.1
83.04978	6.0
83.08614	16.4
85.02855	3.7
85.06533	5.5
91.05492	55.9
93.07049	58.7
95.04971	30.9
95.08620	59.5
97.06547	6.7
97.10162	8.6
98.20890	17.8
99.08068	8.6
105.07034	34.0
107.04992	9.6
107.08606	46.3
109.06525	16.3
109.10173	33.2
110.15694	4.3
111.08080	8.0
117.07018	10.7
119.08570	37.0
121.06505	17.1
121.10142	30.9
123.04438	4.2
123.08051	14.5
125.09628	7.4
127.03918	24.1
129.07005	10.5
131.08548	23.4
133.06563	4.9
133.10159	29.7
135.08049	8.5
135.11700	22.9
137.05989	21.8
137.09589	12.8
139.03906	14.8
143.08577	7.0
145.10109	25.5
147.08046	5.8
147.11684	19.4
149.13255	13.3
153.01839	46.4
155.07045	100.0
155.08371	5.8
157.10092	9.8
159.11732	17.9
161.09654	6.2
161.13301	7.2
163.11215	9.3
167.07034	17.5
169.10031	5.0
171.11717	9.1
173.13242	9.1
175.14827	7.0
177.12775	5.3
179.14235	4.3
181.04984	53.2
185.13255	6.7
187.14810	5.8
191.07109	4.3
191.14191	4.3
193.12247	6.7
203.10686	3.9
213.16356	10.2
231.17477	9.3
249.18498	13.1
259.20728	4.2
277.21674	13.6
311.20114	5.7
329.21210	33.9
385.23499	5.5
403.24722	22.8
421.25784	57.7
421.31070	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	421.134
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	1.9
69.03423	4.6
70.73838	4.3
79.01824	1.9
80.94588	1.7
81.03410	5.1
85.02902	7.2
97.02878	3.6
98.21307	3.0
104.25860	1.6
107.01264	2.1
109.02868	5.6
114.01878	2.0
123.04466	4.3
125.02337	2.0
127.02254	2.1
127.03932	24.1
127.04817	2.8
137.02238	1.7
143.03412	4.8
153.01837	100.0
153.02783	3.7
171.02887	9.8
177.24753	1.7
198.33401	1.8
237.58629	1.9
274.09344	2.6
297.06088	4.8
315.07111	11.5
343.01077	2.8
361.01959	2.2
421.01678	3.2
421.16803	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	1.4
56.05052	1.1
57.03425	1.2
62.18037	1.2
69.03416	4.0
70.82124	2.4
71.04966	1.6
71.73172	1.2
74.53566	1.3
75.74591	1.2
79.01836	4.0
81.03403	4.8
85.02888	5.4
85.50418	1.4
86.06063	2.5
95.04957	1.4
97.02868	3.0
97.31218	1.2
98.21295	1.9
99.02674	1.3
102.95128	1.2
107.01319	1.2
109.02862	3.5
109.92776	1.1
118.14928	1.1
123.04431	7.3
123.25701	1.1
125.02351	4.0
127.03853	6.6
143.03413	5.9
153.01839	100.0
153.02882	4.2
154.02145	1.6
155.26230	1.1
156.64537	1.2
163.03896	1.2
171.02925	8.7
177.05499	3.5
178.05807	2.3
178.42192	1.2
218.06026	1.3
220.06906	1.7
250.10707	2.9
251.11095	4.5
273.08859	1.3
274.09256	2.0
284.65924	1.3
294.92203	1.2
297.06113	3.6
315.07172	11.0
321.11746	2.0
372.55286	1.4
403.15811	7.2
421.16815	28.1
436.08551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94534	3.3
51.02395	4.7
53.03936	7.2
55.01870	12.8
55.05514	34.0
57.03428	11.2
57.07072	6.2
59.05007	4.3
67.05505	100.0
69.03423	19.2
69.07071	20.6
69.39157	8.6
69.39558	27.4
71.04980	6.5
79.05499	68.3
81.03432	22.2
81.07058	74.6
83.04973	11.5
83.08596	14.2
85.02917	3.8
85.06538	10.6
87.37247	3.5
87.90373	3.6
91.05490	78.7
93.07047	54.9
95.04970	60.3
95.08607	46.0
97.06519	17.7
97.10168	8.0
97.70489	3.3
98.21082	16.7
99.08099	6.8
99.23203	3.9
103.05456	10.3
105.07034	63.2
107.04955	36.5
107.08600	30.5
109.06542	19.7
109.10167	42.5
111.08068	7.7
115.05429	6.3
117.07012	28.2
119.04954	5.9
119.08581	42.7
121.06533	26.8
121.10122	21.9
123.04418	9.5
123.08083	14.6
123.11723	5.0
125.06004	8.1
125.09612	10.3
128.06215	6.5
129.06972	19.5
131.04915	15.2
131.08574	31.5
133.06494	12.2
133.10136	27.5
135.08089	18.4
135.11713	10.0
137.05971	9.8
137.09642	10.2
141.05466	57.1
141.06999	9.7
143.08575	22.2
145.06544	5.9
145.10143	22.6
147.08067	10.1
147.11713	17.5
149.09613	10.5
149.13232	4.6
151.07561	9.4
153.05452	28.1
153.09171	5.7
155.08514	7.8
157.06509	4.4
157.10091	14.7
159.11673	25.6
161.09625	21.6
161.13214	6.5
163.07545	8.4
163.11124	17.1
167.03384	74.4
167.04727	5.5
167.07074	9.8
167.08466	4.4
167.10670	5.2
169.10081	9.0
171.11649	10.5
173.11826	8.2
173.13300	10.5
175.11208	16.2
177.12810	6.8
179.07027	6.2
179.10585	4.6
183.11700	9.8
185.13255	12.7
187.11147	9.0
189.09129	4.2
189.11191	7.4
189.12799	10.2
193.12318	11.1
195.11618	4.1
199.14790	3.9
200.04301	4.1
201.12785	10.4
203.10750	10.0
203.12637	3.7
203.14349	6.0
205.12224	4.0
207.06496	4.3
207.13773	8.2
223.13329	6.4
227.14232	6.3
231.17688	4.2
245.15349	15.4
249.14774	5.6
263.16348	9.1
301.21704	5.7
311.19998	11.0
329.21094	49.3
347.22110	6.8
385.23895	5.3
403.24811	31.4
421.25897	64.1
421.31161	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	421.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.2
55.01878	10.2
55.05514	40.3
57.03429	10.1
57.07075	6.6
63.42030	4.0
67.05504	100.0
67.05861	5.8
68.99763	5.9
69.03432	28.9
69.07061	20.9
70.48560	9.7
70.48933	9.1
71.04990	7.5
79.05492	77.7
80.05708	4.0
81.03419	31.9
81.07057	99.7
83.04988	20.4
83.08629	28.4
85.02909	4.2
85.06525	11.7
85.16475	3.9
91.05485	79.7
93.07044	80.6
95.04972	64.9
95.08602	62.8
97.02890	4.9
97.06521	19.7
97.10149	12.0
98.21040	5.5
99.08092	6.1
103.05483	6.1
105.07031	73.9
107.04951	34.7
107.08598	44.6
109.06532	21.8
109.10159	57.0
109.48121	3.9
111.04461	8.7
111.08093	13.0
113.06039	5.3
115.03915	4.2
115.05449	4.1
117.07020	37.1
119.04966	6.3
119.08569	57.5
121.06537	33.2
121.10153	39.1
123.04422	11.8
123.08046	13.6
123.11706	7.1
125.05977	11.7
125.09614	15.2
127.03954	4.4
128.06230	13.5
129.07004	24.4
130.07738	5.3
131.04892	5.1
131.08583	47.5
131.19211	4.2
133.06468	14.3
133.10139	42.4
135.08052	26.6
135.11653	20.8
137.06010	9.4
137.09598	14.7
139.07520	4.4
139.11263	7.0
141.05467	77.1
141.07016	10.0
142.07748	12.0
143.08556	37.4
144.09331	6.7
145.06468	6.3
145.10115	49.4
147.08040	12.5
147.11699	21.6
149.09605	12.1
149.13237	8.0
151.07516	14.6
151.11177	6.9
153.05460	30.2
153.09059	4.5
155.08563	13.7
157.10115	39.8
159.08054	5.8
159.11703	44.7
161.09653	27.7
161.13237	16.3
163.11171	17.8
163.14900	4.6
165.09113	4.4
167.03415	86.4
167.07039	20.3
167.08485	6.1
168.09109	4.5
169.10095	11.4
171.08043	5.0
171.11703	18.7
173.11729	9.5
173.13266	27.4
175.11191	16.1
175.14897	10.1
177.05511	5.6
177.09157	5.7
177.12779	8.2
179.07051	6.6
181.10100	8.0
183.11678	16.8
185.09708	5.6
185.13269	27.6
187.11179	12.8
187.14752	10.3
187.85419	4.5
189.09085	12.9
189.11169	7.8
189.12755	13.2
189.16437	8.4
191.14322	9.0
193.12262	11.6
195.11606	5.2
197.13318	10.1
199.14899	19.9
201.12733	15.9
203.10710	10.0
203.14426	6.9
205.12270	11.6
207.10133	8.9
207.13861	5.8
209.13232	11.5
215.14311	9.5
217.15926	8.6
219.13779	9.9
227.14351	11.3
229.15984	6.9
233.15492	4.2
239.18044	4.3
245.15340	24.5
263.16440	8.6
283.20444	4.5
311.20035	11.3
329.21097	57.7
347.22424	8.5
367.18716	4.9
367.23007	6.4
385.23862	6.5
403.24664	30.6
403.29721	19.5
421.25735	50.2
421.31039	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28424	0.8
65.03924	1.2
66.87478	1.0
69.03434	2.1
71.56859	1.5
74.06075	1.4
75.10570	0.9
81.03410	2.4
81.07047	1.3
85.02895	1.3
91.05479	10.9
92.33571	0.9
95.08617	1.2
97.03007	1.0
104.79879	1.0
107.08575	1.1
109.02917	1.1
113.02377	4.9
119.04951	23.7
119.08648	1.5
121.10098	1.2
127.03957	1.8
137.05888	1.2
139.32417	1.0
147.04413	100.0
148.04778	1.2
157.92079	1.1
165.05493	3.3
278.07291	1.0
284.14206	0.9
291.08679	4.9
309.09561	2.1
421.14191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53817	0.9
65.03928	1.9
67.05505	1.5
69.03422	2.3
71.49803	2.2
71.87888	1.1
74.06066	0.9
75.68177	0.9
79.05501	1.7
81.03418	4.2
81.07059	2.0
85.02924	1.0
88.88416	1.0
91.05480	11.7
92.07125	1.2
93.07045	1.4
96.35907	1.1
97.02888	1.3
98.21066	1.1
99.04479	1.1
105.07041	1.8
109.02915	1.2
111.08090	1.0
113.02372	4.4
119.04948	24.5
119.08533	1.2
123.04409	1.7
127.03918	2.0
131.08528	1.5
135.87297	1.2
147.04414	100.0
148.04710	1.8
165.05511	4.8
167.07062	1.5
291.08633	5.7
309.09952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.34666	0.4
55.76666	0.5
56.96558	2.4
57.03427	1.2
58.99553	0.6
61.02917	1.0
65.03980	0.7
67.04234	2.1
67.05524	0.6
69.03432	3.2
71.05001	0.7
71.56693	0.6
71.57114	0.6
73.01122	0.6
73.02911	0.9
74.00674	3.4
81.03416	1.6
83.04977	0.9
84.04511	0.9
84.96043	0.7
85.02909	7.0
87.04455	0.8
96.04475	1.5
97.02903	4.9
98.97573	3.1
100.02208	66.9
109.02876	2.1
110.06039	1.6
110.97598	1.0
111.05560	0.7
113.03477	1.0
114.03673	0.6
114.05537	5.3
116.98632	1.7
118.03261	3.8
118.06525	0.7
119.01913	2.3
123.04416	0.6
123.05560	0.6
127.02130	1.3
127.03924	2.3
131.01906	1.3
136.07564	0.9
138.05490	1.8
140.56819	0.6
141.06580	2.5
143.01657	6.2
145.03563	0.9
145.04968	1.7
146.02710	100.0
147.03040	0.9
152.07045	0.6
153.01840	4.7
155.01923	1.6
156.06554	1.8
157.03438	0.8
158.99661	1.2
161.01155	0.7
161.02985	2.0
163.03993	0.8
170.02692	0.6
171.01120	26.6
171.06708	0.8
173.02930	1.5
173.06729	0.7
177.00706	1.2
180.06581	1.8
183.05103	0.9
201.02481	0.8
201.06149	3.0
207.05315	0.6
212.03824	0.8
213.06934	10.9
219.01602	0.9
219.03467	2.2
221.05086	2.0
231.03003	1.0
234.05937	0.6
237.02748	1.6
241.01465	0.7
241.43420	0.6
243.07185	1.8
245.05132	0.7
255.07944	0.8
257.00833	0.8
258.09760	0.6
259.07501	36.3
260.05759	3.0
273.08475	1.3
274.09198	0.9
276.10776	2.0
277.03494	1.9
281.14978	0.8
285.00284	0.7
301.08411	0.8
303.01425	3.9
304.01840	0.7
310.52863	0.5
321.10327	0.7
337.02679	0.7
337.41299	0.6
351.00455	0.7
375.12051	1.2
376.98227	0.8
394.99362	1.3
421.02408	0.7
421.12640	5.7
421.17371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.09701	0.7
57.03432	2.1
58.06596	0.7
70.06595	4.4
71.04968	0.7
71.41361	1.2
73.02900	0.9
74.06075	1.0
75.04474	0.9
75.36251	0.6
81.03401	1.0
81.07120	0.7
85.02910	3.5
86.06069	8.2
88.43562	0.7
93.07039	1.2
94.06580	2.2
95.01323	1.5
95.04960	1.5
97.02898	1.4
98.06059	1.4
98.21046	0.8
99.04456	2.4
100.07600	1.5
107.04956	100.0
108.05273	1.0
109.02857	0.8
110.06033	1.0
112.07593	4.3
113.02363	1.5
119.04916	1.4
121.06499	1.0
123.04427	9.1
127.03930	1.2
130.08629	1.0
137.05971	1.1
139.03914	1.1
140.07085	3.2
141.01791	4.6
141.05449	0.9
147.04451	3.3
149.05968	3.3
151.03941	2.2
153.01813	1.5
153.05467	5.9
158.08142	2.4
159.02925	0.9
163.03925	1.1
163.07501	1.2
165.05414	3.4
173.06033	1.1
177.05470	21.4
183.28722	0.7
191.07083	2.0
193.86620	0.7
201.05582	1.8
209.08099	35.1
219.06503	10.4
224.07808	0.7
227.09160	13.3
231.06613	0.8
232.09702	2.5
243.06470	0.8
250.10764	20.0
258.13351	1.9
303.08914	0.7
311.08990	0.9
329.10257	1.6
371.11172	3.0
384.14398	2.9
385.11319	0.8
402.15448	18.2
420.16293	5.9
438.93854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
55.01862	4.7
55.05470	1.8
57.03434	13.8
61.02918	11.6
65.03931	2.0
69.03079	1.6
69.03431	27.4
70.70808	4.2
71.01347	4.3
71.04977	1.3
73.02918	63.1
75.15404	1.6
81.03421	5.2
83.04970	1.4
85.02905	57.5
87.04462	5.0
91.05479	100.0
97.02898	58.3
97.06547	1.8
98.21046	2.5
99.04447	2.9
103.03921	3.5
105.07034	5.4
107.04932	1.6
109.02869	5.9
113.02314	2.8
113.03485	6.5
115.03929	24.7
117.06997	2.3
118.05006	4.0
123.04398	1.9
126.09078	1.3
127.03915	20.8
129.07005	3.7
131.08604	2.1
132.06555	1.4
133.04964	28.5
133.06499	4.7
145.04961	31.1
145.06485	3.0
150.07628	2.4
153.01874	1.7
157.06416	2.9
163.06065	10.9
171.08101	1.4
175.07507	1.9
193.05045	1.7
205.08624	2.9
217.08633	2.4
223.05966	4.8
235.09602	2.0
239.06630	1.7
241.07019	7.1
253.10699	3.9
259.08221	7.6
283.16769	1.4
295.10257	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
56.03195	0.5
57.03431	1.2
57.07068	0.6
61.02929	0.8
63.66402	0.5
64.03510	0.5
68.05028	0.5
69.03419	1.6
69.07060	1.9
70.06591	1.4
70.34460	1.3
70.34853	1.2
73.02919	0.7
80.23323	0.5
81.03406	1.4
82.06567	2.5
84.04492	0.7
85.02924	4.3
91.05483	6.8
95.04927	0.5
96.04483	2.3
96.08143	0.9
97.02917	4.0
98.06042	2.0
98.21111	0.9
105.06992	0.5
109.02833	0.7
110.06039	2.3
112.03972	1.1
113.03476	1.3
113.04750	3.1
114.05511	1.1
115.03933	1.1
123.04468	1.0
125.04745	1.5
126.05496	2.7
127.03893	1.7
128.07100	0.7
133.04956	0.9
137.06081	0.7
138.05504	1.2
142.05005	1.7
143.05769	5.3
143.29820	0.6
144.06584	6.6
145.05016	1.3
152.07104	0.9
152.10710	0.8
153.01849	1.9
154.02164	1.2
156.06584	5.5
166.12273	1.9
170.08162	1.7
177.05507	0.6
180.10165	0.5
182.11748	2.2
194.11777	1.6
212.12825	55.2
213.13156	0.6
258.13376	100.0
259.13681	2.2
420.18826	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	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90694	0.6
53.03938	1.3
55.01876	0.6
55.05510	1.6
67.05499	1.3
69.03432	7.2
69.07046	1.2
70.06596	1.1
71.04997	0.9
71.56411	0.7
71.56768	0.6
73.06557	0.7
79.05489	0.8
81.03403	1.7
81.07049	0.8
82.06563	2.2
83.04983	2.0
84.04521	0.7
85.02907	3.7
86.06072	3.4
91.05460	1.0
93.07026	2.6
94.06549	1.4
95.04967	1.1
95.08607	2.3
96.04477	2.1
96.08119	1.0
97.02886	2.2
97.06513	0.8
98.06048	1.5
99.04446	0.7
100.07621	1.0
105.07034	1.3
107.08583	1.6
108.08090	1.2
109.02903	1.6
109.06565	0.8
109.10177	0.8
110.06045	4.8
112.07610	1.8
113.03471	1.1
113.04727	3.2
114.05561	1.1
119.04964	0.7
119.08610	1.5
121.06499	1.5
121.10090	1.8
122.06001	1.7
123.04453	4.1
123.08080	4.1
124.07576	2.2
125.04722	1.4
125.05962	1.2
126.05497	2.6
126.09068	0.9
127.03904	2.0
128.03453	0.8
128.07051	1.9
135.04416	0.9
135.08046	1.6
136.07561	1.9
137.06021	1.0
137.09639	5.5
138.05498	1.5
139.03825	0.7
140.07053	2.7
142.05029	1.1
143.05811	6.6
143.06844	1.3
144.06584	4.9
145.04947	1.0
145.10143	1.1
147.04364	1.1
147.08067	1.8
149.05997	0.8
151.03810	0.8
152.07022	1.6
153.01825	2.3
156.06570	7.6
158.08128	4.4
159.11682	2.6
163.11188	3.3
165.05505	1.8
165.09087	3.5
166.08647	0.8
166.12268	1.9
167.07037	0.9
170.08096	1.6
171.02914	0.8
177.05475	5.5
177.12717	1.2
182.11758	1.8
194.11792	1.8
201.05426	0.7
205.12250	3.9
212.12833	44.2
213.13081	1.0
219.06485	3.6
223.13287	13.7
247.95799	0.7
250.10820	4.8
253.40099	0.7
258.07794	2.1
258.13376	100.0
259.13599	1.9
371.11139	1.1
384.14233	0.9
402.15530	5.7
420.19162	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.05515	5.9
57.03431	1.1
57.07079	30.0
58.61944	0.6
59.05027	0.6
67.05505	3.1
67.72190	0.5
69.03416	0.9
69.07078	10.4
70.28262	1.6
71.05005	0.7
71.08637	1.7
74.71819	0.6
76.79716	0.5
79.05491	2.1
81.07066	7.3
83.01346	6.3
83.04991	1.1
83.08630	4.4
85.06548	14.1
91.05454	0.6
93.07037	2.7
95.08612	5.5
97.06538	2.9
97.10170	2.9
98.21093	1.2
98.27894	0.5
105.07048	1.1
107.08609	3.1
109.06535	1.0
109.10142	5.4
111.08097	3.4
119.08585	0.8
121.06545	0.7
121.10137	2.8
123.08073	3.1
123.11707	2.8
125.05978	2.9
125.09628	2.7
125.13239	0.7
127.07541	1.6
127.11193	1.3
133.10106	1.2
135.11674	1.7
137.05981	1.0
137.09599	2.3
137.13306	1.3
139.07550	15.4
139.11172	1.5
144.57593	0.5
145.10066	0.8
149.13277	0.7
151.11162	2.5
153.09099	4.2
153.12683	1.6
159.11740	0.8
163.14812	0.9
165.12700	1.0
167.03429	0.7
167.10654	4.3
167.14328	0.9
177.12662	0.8
181.12242	5.6
191.14371	0.7
195.13794	6.8
207.13733	1.1
209.15350	4.7
223.16881	2.9
237.18513	1.3
251.20154	1.6
265.21600	1.3
267.19464	1.1
279.23160	1.1
293.24771	0.7
295.20087	0.6
319.26352	1.1
335.29456	13.0
345.28033	1.2
389.17273	1.7
401.34210	5.6
419.23035	6.2
419.35196	100.0
420.35550	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	419.3519
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.05515	6.3
57.03425	0.5
57.07079	30.8
67.05529	2.6
69.06776	0.7
69.07081	7.8
69.24109	6.1
71.04990	0.7
71.08640	0.9
78.66344	0.6
79.05497	1.3
81.06625	0.9
81.07063	7.5
83.01338	6.4
83.04930	0.7
83.08620	5.3
85.02891	0.8
85.06067	1.2
85.06547	14.0
93.07061	3.2
95.08619	7.4
97.06518	1.7
97.10169	3.0
98.21126	3.4
105.07046	0.7
107.08591	3.6
109.06505	0.9
109.10169	4.7
111.08083	2.4
111.11695	0.6
119.08552	1.2
121.06512	0.9
121.10128	3.1
123.08065	2.2
123.11708	2.3
125.05991	3.2
125.09641	3.9
125.13159	0.6
127.07550	2.4
130.14265	0.6
133.10124	0.7
135.08145	1.0
135.11670	1.3
137.09659	1.6
137.13261	2.0
139.07545	14.0
139.11186	1.8
149.09633	0.8
149.13319	1.1
151.11183	2.9
153.09093	3.1
153.12756	1.2
159.11777	0.7
167.10706	4.4
177.12762	1.1
181.12247	7.3
191.14415	1.1
195.13821	6.3
207.13893	1.3
209.15338	3.9
223.16907	2.9
230.16959	0.6
237.18518	1.6
246.64146	0.6
251.20114	1.2
265.21674	2.0
267.19586	0.7
279.23224	1.3
281.21185	0.8
317.28378	0.7
319.26300	1.0
335.29459	15.1
345.28033	0.8
401.34116	5.1
419.35211	100.0
420.35562	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	420.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
56.05027	2.9
57.03428	8.0
58.99570	7.5
61.02950	1.6
65.03922	2.9
67.05502	4.3
67.69794	1.7
69.03413	7.5
69.38813	10.0
69.39229	2.8
69.79932	1.9
70.06561	3.8
71.04978	4.8
71.89647	1.7
73.02890	3.2
74.00649	2.9
76.02225	8.7
80.05005	5.2
81.03419	4.8
83.04955	2.2
83.77334	1.9
84.04506	37.3
85.02921	15.0
86.00613	2.2
86.06065	4.9
86.99041	4.8
94.06561	2.2
95.04981	15.5
96.04487	2.7
96.08072	2.3
97.01123	11.5
97.02884	8.2
98.00611	2.0
98.20562	1.9
98.21164	8.2
99.02679	5.4
99.04462	1.8
99.20103	1.6
101.00891	2.4
107.04963	5.1
108.04464	4.9
108.08112	7.9
109.02901	2.8
112.07596	4.0
113.03414	2.0
113.06036	3.3
114.03748	17.2
116.01677	16.2
116.05331	9.4
119.01862	4.5
123.04389	4.8
126.03740	13.2
127.02145	49.0
127.03922	7.0
128.04268	2.3
128.05284	5.0
130.04996	7.3
131.01944	3.2
133.03439	3.3
136.07576	5.8
137.08362	13.0
140.98587	1.9
142.06837	4.9
143.01807	2.5
144.01128	3.8
144.04726	2.1
145.03394	3.1
145.04955	4.4
151.03911	1.8
152.05281	8.4
153.01826	13.0
153.03761	3.6
154.06859	2.2
155.01880	4.0
161.02914	2.8
162.02179	8.8
170.06357	76.0
172.41695	1.7
173.02934	3.7
177.03287	4.8
177.05484	10.2
179.04834	5.9
191.07089	1.8
198.05846	3.3
201.05986	2.3
209.08075	2.3
219.06662	4.0
221.05098	2.2
227.08495	5.6
231.04407	4.0
232.07442	2.9
233.05734	2.8
245.05043	3.3
249.07137	3.3
250.10709	13.0
255.07910	8.5
256.06317	3.4
258.09653	2.6
259.02432	3.0
273.09048	100.0
275.06461	2.2
277.03336	3.8
299.61490	2.0
303.01349	4.2
322.10510	6.3
327.10080	3.7
345.11194	6.1
371.11169	2.5
379.01126	2.1
384.14944	1.8
402.15552	11.0
420.08389	8.8
420.14853	3.0
421.16589	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	419.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01868	4.7
55.05513	25.6
57.07078	32.5
65.03924	5.1
67.05507	88.6
68.99800	2.9
69.07070	33.5
69.92522	2.4
71.05012	3.7
71.57426	4.9
79.05486	21.6
81.07059	95.8
82.21468	3.4
83.04961	14.1
83.08585	13.4
85.06555	21.4
90.39115	2.8
91.05487	13.7
93.07045	32.6
95.04948	12.3
95.08607	77.3
97.02890	3.6
97.06535	6.3
97.10172	7.5
105.07037	19.6
107.04996	4.8
107.08601	29.5
109.06488	6.2
109.10155	37.6
109.66737	2.9
111.04469	5.8
111.08102	3.2
111.11713	3.5
113.06000	2.6
117.07003	4.7
119.08582	11.6
121.06499	4.9
121.10142	23.0
123.04432	97.7
123.08103	4.4
123.11707	23.3
124.01517	3.0
125.06007	26.0
125.09624	3.8
131.08580	5.5
133.10118	8.4
135.11705	15.8
137.05989	12.2
137.09529	4.8
137.13246	11.8
139.03897	8.0
139.07535	13.9
141.05461	54.2
141.12796	2.8
143.08546	3.1
145.10094	10.9
147.11681	10.7
149.09578	6.8
149.13260	12.4
151.07535	8.0
151.11095	3.7
152.02055	3.2
153.05475	56.3
159.11670	5.8
161.13324	5.3
163.07541	3.9
163.11162	3.8
163.14838	8.9
165.09108	6.2
167.03406	100.0
167.07062	5.4
171.11694	3.4
173.13228	6.5
175.11079	3.6
175.14807	5.0
177.09132	2.9
177.16449	6.6
177.80209	3.0
179.07039	12.7
179.10652	4.5
187.14723	4.0
191.10712	4.0
191.14297	3.2
195.06537	7.7
197.04532	6.6
205.12215	7.2
207.10133	5.6
213.16307	3.4
217.19424	5.7
221.11536	3.2
235.87215	2.8
241.12611	2.8
243.21121	5.8
261.22189	19.5
301.17752	2.8
303.23242	5.5
304.23370	2.9
317.24783	13.5
345.24319	7.3
359.29547	4.0
377.30475	6.5
383.29355	9.1
401.26886	4.2
401.30579	24.5
419.18094	3.4
419.31128	24.9
436.58536	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	419.3157
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
51.36209	0.4
53.03931	0.6
55.01879	0.7
55.05512	4.9
57.07095	2.0
67.05503	4.8
69.03437	0.9
69.07070	5.6
71.08643	0.8
71.28432	0.7
73.62798	0.4
79.05495	3.8
81.07056	3.1
83.01352	2.6
83.08617	2.8
91.05487	1.2
93.07035	1.8
95.04909	0.5
95.08614	3.0
97.02883	1.5
97.06541	1.0
97.10174	2.4
103.30031	0.4
107.04939	1.3
107.08607	1.4
109.06514	1.4
109.10167	1.3
111.08099	0.6
111.11720	0.7
119.08598	0.7
121.06537	0.8
121.10145	1.8
123.08080	0.5
125.05979	1.5
135.08038	0.5
135.11674	1.0
137.06000	1.6
139.07539	2.4
145.45561	0.4
147.08037	2.0
149.13271	0.6
151.07547	3.7
151.14867	0.7
153.05550	1.0
155.07039	5.7
163.03810	0.5
165.05452	0.8
165.09131	1.4
167.07054	19.0
175.07510	2.2
177.05537	0.5
179.03363	0.7
181.04970	100.0
182.05321	1.3
183.06514	5.1
191.07033	1.2
193.08519	2.5
195.06570	0.5
205.08539	0.6
205.96422	0.4
209.08020	2.0
219.10156	0.5
221.11844	0.7
223.09750	0.5
237.11092	0.4
247.24217	0.8
265.25259	1.0
396.48132	0.4
401.30508	1.8
419.31570	28.6
420.31995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
50.85840	0.9
51.75463	0.8
53.78196	0.8
55.05510	6.8
57.07079	31.2
63.27648	0.8
67.05490	4.2
68.99043	0.9
69.03419	1.1
69.07070	13.1
71.04984	0.9
71.08630	1.6
71.49367	1.7
79.05474	2.0
81.07060	8.1
83.01337	8.2
83.04965	1.0
83.08627	5.2
85.06546	17.0
91.05451	1.6
93.07031	4.1
95.08616	10.2
97.06509	2.2
97.10139	3.5
97.10719	1.0
98.21191	1.3
105.07026	1.7
107.08583	3.3
109.06472	1.7
109.10154	5.3
111.08096	4.5
114.29984	0.9
119.08578	1.5
121.06468	2.9
121.10130	3.2
123.08038	3.6
123.11705	3.7
125.05989	3.4
125.09623	3.6
127.07587	1.7
135.08044	2.4
135.11659	2.9
137.09612	2.9
137.13232	2.9
139.07547	36.1
139.11162	2.4
149.09612	1.0
149.13254	1.7
151.11227	1.9
153.09108	3.7
153.12756	2.1
156.31445	1.1
165.12775	1.6
167.10669	5.6
167.14354	1.0
167.98277	0.9
173.13370	1.1
181.12170	7.3
193.12216	1.4
195.13773	7.3
209.15347	4.9
223.16914	1.9
228.66754	0.9
251.19975	1.6
251.73096	0.9
265.21704	1.8
335.29398	10.4
361.14288	1.6
373.14417	1.4
374.15009	2.2
375.15823	3.8
376.16440	1.6
387.16092	2.0
388.16501	3.0
389.17685	9.8
390.17996	3.7
401.34210	10.5
403.19263	4.2
404.20010	9.0
419.22601	68.6
419.35150	100.0
420.22949	5.7
420.35696	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	419.2792
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
53.03943	3.1
54.57930	2.1
55.05510	13.5
57.07083	3.0
60.42325	1.9
65.03933	2.3
67.05165	4.2
67.05508	64.9
69.07061	9.8
69.24109	20.4
70.35017	1.9
74.09628	2.0
79.05496	15.0
81.07062	64.2
83.04996	4.4
83.08632	5.0
91.05488	8.8
91.50542	2.2
93.07045	15.1
95.08613	52.7
98.21120	12.5
105.07034	4.8
107.08603	10.5
109.10139	20.7
119.08585	4.9
121.10167	7.4
123.04453	2.0
123.11718	12.2
125.02409	2.4
125.05988	2.6
131.08635	3.0
133.10146	4.0
135.11716	6.3
137.13229	3.6
141.05476	35.0
145.10129	3.8
147.11644	2.2
149.13240	5.4
151.07603	2.4
153.05476	31.5
159.11694	2.8
161.13257	3.9
167.03413	100.0
167.07079	4.1
169.04997	3.9
173.13248	3.1
179.07007	4.8
185.85161	2.6
195.06537	4.9
207.10083	3.2
217.19612	2.9
230.33574	2.1
243.21097	3.0
261.22116	20.6
282.67444	2.5
401.26923	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	419.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36294	6.5
53.03930	7.5
54.68857	6.3
55.01869	11.1
55.05498	25.7
57.03416	14.4
57.07061	29.3
65.03924	7.9
67.05509	54.7
68.84554	6.7
69.07071	39.8
71.57371	10.3
71.57736	8.9
79.05477	34.6
81.07053	69.7
83.01353	13.6
83.04967	13.4
83.08616	20.3
85.06529	17.0
91.05466	26.6
93.07040	45.7
95.04943	12.7
95.08613	52.9
97.06527	19.6
97.10218	7.3
103.44778	7.6
105.07026	35.1
107.04953	8.4
107.08601	38.4
109.06512	16.3
109.10158	35.4
111.04414	7.9
111.08078	10.6
117.07063	11.6
119.08576	29.8
121.10136	27.0
123.04430	18.3
123.08071	6.1
123.11714	14.6
125.05968	26.6
131.08560	14.0
131.77002	6.9
133.10100	28.6
135.11716	19.1
137.06007	8.4
137.09564	14.6
137.13174	8.3
139.03882	8.2
139.07542	9.9
139.11151	8.4
141.05443	21.1
145.10101	18.0
147.11674	18.6
149.09592	8.5
149.13216	7.2
151.07506	12.8
153.05469	100.0
155.01019	19.9
155.07018	11.3
157.10075	15.1
159.11707	16.0
163.07568	7.2
167.02313	6.6
167.03426	64.3
167.07039	14.8
169.04924	7.6
171.06558	11.3
173.13220	7.2
179.03490	8.2
181.04904	33.5
187.14818	9.7
191.07022	12.1
197.04443	52.5
201.16548	8.6
231.10059	8.9
249.18477	9.3
345.24158	9.0
373.23441	12.0
383.21964	15.5
401.23215	19.0
401.34448	14.9
419.34790	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	419.2429
Annotation	21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01886	5.7
55.05520	30.4
57.07057	8.0
65.03937	9.5
67.05511	68.6
69.03432	6.1
69.07056	22.7
69.48129	20.4
69.48555	25.2
71.08605	10.3
76.28768	5.6
78.55479	5.3
78.93604	5.3
79.05505	50.8
81.03411	15.0
81.07061	100.0
83.04974	17.9
83.08604	8.6
91.05481	75.6
93.07055	77.1
95.04964	17.4
95.08612	61.4
95.65610	6.2
97.02917	5.9
97.06503	10.1
98.21225	23.5
99.08067	9.7
102.46901	5.6
103.05383	6.5
105.07019	51.9
107.04944	10.5
107.08587	34.8
109.02874	6.4
109.06496	13.5
109.10168	39.0
111.08096	5.0
116.78981	5.1
117.07042	32.6
119.08588	46.8
121.06556	10.0
121.10167	38.5
123.04427	12.5
123.08062	5.5
123.11729	14.8
125.05980	7.5
127.03934	49.5
128.06184	5.0
129.06998	15.0
131.08563	39.6
133.10146	53.0
133.43213	5.1
135.08067	8.8
135.11670	15.4
137.06006	6.5
137.09625	10.3
139.03937	38.3
141.05484	26.6
141.06996	5.8
143.08556	10.6
145.10104	21.4
145.32913	6.4
147.08089	5.8
147.11664	18.3
149.09633	16.0
149.13219	10.9
153.01833	80.2
153.05444	11.0
155.03496	5.5
155.07022	22.0
155.08282	7.0
157.10138	12.4
159.11685	20.0
159.22374	5.1
161.13292	9.5
163.11125	7.5
163.14977	5.7
165.05453	12.0
167.03395	11.9
167.07083	8.0
171.11705	9.7
173.09502	5.8
173.13243	19.9
175.11215	5.3
175.14832	5.9
181.04959	18.3
185.13281	6.6
187.14793	7.6
199.14902	10.5
201.16245	6.1
211.14920	7.4
215.17918	8.1
229.19446	9.6
235.16968	9.3
247.17036	6.3
257.19009	7.4
275.20288	26.3
279.23221	7.8
343.18652	7.6
359.58801	6.2
383.22028	16.3
419.24088	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	419.2429
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
51.21685	1.9
53.03935	4.2
55.01864	5.6
55.05499	10.0
57.03444	25.0
57.07072	5.1
64.51883	1.9
65.03954	3.3
65.20927	2.2
67.05222	2.4
67.05508	27.4
68.99794	2.2
69.03418	3.2
69.07050	9.8
70.00443	10.9
71.04992	3.5
76.58713	2.3
79.05496	33.8
81.03390	2.4
81.07062	34.4
82.02528	2.6
83.01347	13.1
83.04988	3.7
83.08601	5.2
85.06528	6.8
91.05482	34.6
93.03406	2.8
93.07042	33.0
95.04988	11.0
95.08620	26.0
97.02892	3.4
97.06512	9.6
97.10144	4.2
99.08086	6.0
105.07037	37.3
107.04941	6.6
107.08585	26.2
109.06496	7.5
109.10157	13.6
109.80331	1.9
111.04446	5.3
111.08062	3.0
113.06032	2.7
115.74458	2.3
116.21812	2.4
117.07026	15.6
119.08602	21.7
121.06533	3.9
121.10170	10.5
123.04401	3.1
123.08059	4.2
123.11704	4.4
124.84430	2.5
125.05999	16.5
125.09534	2.8
127.03864	2.2
129.06985	8.1
131.08575	20.6
133.06491	5.5
133.10123	22.9
135.08049	4.7
135.11679	10.2
137.02283	2.4
137.05984	8.5
137.09605	4.7
139.07503	3.3
141.05475	4.8
143.08554	6.5
145.06465	3.1
145.10126	19.7
147.08130	4.0
147.11679	16.6
149.09604	5.0
149.13251	7.2
151.03880	3.5
151.07524	4.9
151.11174	2.3
153.05472	100.0
155.07031	6.5
155.08545	4.1
157.06319	2.3
157.10100	10.5
159.08060	4.4
159.11687	15.6
161.09564	4.0
161.13275	4.3
163.07547	4.9
163.11165	4.2
165.05499	5.3
165.09056	3.2
167.03343	3.9
167.07094	10.5
167.08296	2.6
169.10095	5.5
171.06558	14.2
171.07809	3.2
171.11612	6.2
173.13248	9.1
175.11163	9.1
175.14758	4.2
177.05479	3.2
177.09126	5.3
177.12764	4.1
179.03429	7.4
179.07024	4.2
181.04968	40.5
181.10168	3.0
183.11691	3.7
185.13190	4.5
187.14810	9.8
189.12817	3.4
189.16359	5.2
191.07056	10.9
191.14348	3.6
193.04993	2.2
197.04439	4.3
197.13272	3.1
201.09261	3.2
201.12730	5.3
201.16455	3.7
203.10634	2.8
203.17975	3.2
205.08571	5.1
205.15840	3.1
207.06563	5.9
209.08046	3.0
211.14848	7.6
213.16443	8.7
215.10594	3.0
217.08655	5.3
219.10081	5.2
229.08701	2.9
229.15878	7.9
231.10130	4.4
231.17384	6.5
247.17018	3.3
261.18478	3.8
271.13156	2.5
275.19940	2.5
311.16519	4.6
312.38000	2.4
327.19357	5.5
345.20581	5.0
359.21924	3.8
365.21085	4.6
383.22232	14.4
401.23047	17.5
419.31802	2.4
419.39581	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99329	2.3
53.03934	3.3
57.03454	2.4
60.00955	2.9
69.03415	7.1
69.07060	9.5
70.06583	3.4
71.04990	3.8
71.17791	4.1
79.01855	3.2
81.03407	4.3
85.02402	2.5
85.02905	7.2
91.05543	2.7
93.07021	3.2
97.02873	10.3
97.06497	4.3
109.02883	9.0
121.02818	2.5
123.04435	41.4
125.02364	5.9
127.03926	7.3
129.09148	5.3
139.03896	3.9
143.03410	6.5
144.06569	5.0
147.04399	8.6
153.01840	100.0
154.02104	2.9
161.05971	3.0
163.03915	3.4
165.05466	21.5
171.02869	10.6
177.05466	6.6
179.07004	3.0
212.12799	19.7
217.08495	6.3
231.06508	7.4
235.09760	3.5
247.09555	2.8
258.13412	33.6
297.06137	3.0
315.07065	9.3
317.08426	7.9
369.13370	3.6
419.14914	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	419.1549
Annotation	Itoside I
Peak:m/z	Relative Intensity
57.03413	2.8
66.45319	2.6
69.03432	8.6
69.21304	2.6
70.06586	5.1
71.56685	4.3
79.01864	3.3
79.05480	4.5
81.03405	8.4
85.02899	11.0
85.49959	2.3
91.05466	4.1
97.02891	8.8
98.21143	2.8
104.35233	2.5
105.07045	8.3
107.08619	3.8
109.02872	8.7
113.02373	4.7
123.04382	3.5
127.03968	12.3
127.04903	2.8
133.06522	13.9
135.08122	2.6
137.06003	19.4
139.03923	3.2
143.03447	5.4
153.01848	100.0
153.02953	7.0
156.06566	5.1
165.09171	7.7
167.07008	2.9
170.38640	3.0
171.02899	11.2
183.10118	4.6
212.12854	26.7
257.14557	2.8
258.13382	36.3
297.05972	3.1
315.07211	13.9
419.14780	6.2
437.16769	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	419.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01872	10.0
55.05504	16.0
57.03426	7.9
57.07074	8.2
67.05508	40.5
69.03406	6.7
69.07053	19.3
69.38469	30.3
71.04987	5.2
71.08627	4.7
76.12428	3.5
79.05498	31.7
81.07059	39.9
83.01328	11.0
83.04981	6.7
83.08621	16.4
85.06552	9.9
91.05489	31.5
93.07042	34.6
95.04955	7.0
95.08614	35.7
97.06512	19.4
97.10148	6.2
98.21187	14.7
105.07031	25.1
107.04967	7.1
107.08607	19.0
109.06489	5.8
109.10165	16.7
111.04454	7.0
111.08070	4.0
111.11766	3.5
117.07011	9.9
117.24371	3.3
119.08588	21.9
121.06551	6.8
121.10181	16.9
123.04408	6.6
123.08109	5.6
123.11694	9.0
125.05975	14.6
125.09614	4.2
129.07027	4.3
131.08586	11.2
133.10144	20.7
135.07999	7.1
135.11685	13.7
137.05994	6.6
137.09639	4.1
139.03932	4.2
139.07622	19.8
141.05426	7.9
143.08609	6.6
145.10123	13.2
147.08046	4.0
147.11769	17.6
149.09648	4.3
149.13312	4.0
151.03879	4.6
151.07576	8.1
153.05472	100.0
155.07019	7.4
157.10115	7.3
159.11646	5.7
163.11209	6.6
165.05478	5.5
167.03456	9.3
167.07034	9.7
169.08638	11.7
169.10040	6.7
171.06529	9.2
171.11685	4.8
173.09613	4.2
173.13272	5.5
175.14845	4.5
177.05452	4.1
179.03433	6.7
179.06982	4.1
181.04942	23.4
182.10663	3.5
185.13179	4.0
187.14793	7.8
189.16377	4.1
191.07011	7.7
193.08556	6.5
194.05864	4.3
197.04478	7.1
201.09134	3.7
201.16415	6.0
211.14790	6.2
229.15865	5.1
231.10120	5.8
279.23212	4.4
345.20679	5.1
353.24072	3.6
373.23801	6.0
383.22040	10.4
401.23044	20.5
401.34042	11.5
419.29810	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	418.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	1.5
71.56942	1.4
71.57323	1.4
73.02911	2.7
79.05496	1.0
81.03424	1.4
95.04959	1.1
97.02870	1.3
99.05396	0.9
103.05437	0.9
107.04972	6.2
110.06038	1.5
123.04465	1.0
123.08028	1.6
124.07556	1.0
126.09167	1.7
127.03918	1.9
138.09148	4.6
140.04971	3.2
153.01805	1.3
154.06593	1.7
155.06047	19.8
156.08163	1.1
156.10219	23.3
167.05872	6.3
167.07117	3.3
168.06999	3.4
169.07626	37.2
169.09059	1.9
170.06007	4.4
174.06290	1.1
179.06047	14.3
181.04984	2.8
181.07593	3.2
182.08397	1.9
183.05547	16.9
183.09119	2.4
185.07126	9.8
193.07635	13.3
194.06024	1.7
195.05540	27.4
196.06319	15.3
197.07115	33.6
198.05530	7.6
201.06607	2.2
207.05559	7.6
208.06372	2.2
209.07053	6.2
210.07886	1.8
211.05067	2.9
211.08661	6.9
213.06593	23.7
218.08965	1.1
221.07086	24.0
223.05029	2.4
225.06598	54.6
227.08316	1.6
229.06107	22.5
230.06364	1.2
237.06593	6.6
238.07343	7.7
239.04445	3.0
239.05690	1.5
239.08156	28.1
241.06094	5.0
243.07657	8.4
249.06583	10.9
249.16373	1.0
253.06108	8.6
255.07652	3.1
257.05624	5.9
265.06030	2.4
267.07660	18.5
269.05585	4.7
271.07141	32.2
272.07404	1.1
277.06064	11.8
283.07135	1.9
285.08704	29.4
287.05557	8.0
287.08667	1.5
295.03815	2.1
295.07138	37.1
298.08002	1.1
310.08029	2.2
312.09723	1.7
313.08185	42.5
318.15475	3.1
331.09360	14.2
336.09711	1.8
340.09247	5.1
341.10477	1.0
354.10883	4.9
358.10306	45.2
359.10648	1.4
372.11874	4.8
382.10501	7.5
400.11392	56.0
401.11697	1.8
418.12408	100.0
418.21274	2.8
419.12726	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	418.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	2.7
80.66930	0.7
81.03407	2.2
85.02907	7.0
87.04460	1.7
89.06035	68.7
97.02881	2.3
98.20673	1.2
98.21358	4.1
98.77313	0.6
106.02914	3.1
107.07054	1.9
124.03951	7.4
127.03905	2.0
133.08609	40.5
136.09161	0.7
151.09631	4.1
153.01845	2.2
156.73094	0.7
177.05498	1.0
177.11232	5.8
191.07100	0.8
195.12317	3.1
239.14902	100.0
240.15147	1.6
248.09238	0.8
250.07120	1.1
264.16376	0.9
268.08136	4.1
419.15067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01859	2.4
56.67413	1.0
57.03428	2.8
61.02932	1.0
69.03419	2.6
69.39298	7.2
71.36355	1.0
72.20177	1.0
73.02915	1.8
78.53584	0.8
81.07047	0.9
85.02881	2.9
91.05479	1.6
95.08662	0.9
97.02866	1.1
98.21409	2.4
105.03405	1.0
105.07039	1.6
105.50024	1.0
107.04930	2.0
108.58833	0.9
111.00797	1.3
115.03938	1.7
121.02861	3.8
123.04417	2.3
131.08575	2.2
133.04953	1.7
137.02318	2.1
144.05746	1.2
145.06459	1.5
149.69461	0.8
153.01819	7.0
157.06438	1.2
159.08061	2.7
165.01849	0.9
167.07047	7.1
183.06532	2.7
189.09068	1.4
203.07077	1.5
207.06494	1.2
213.05347	1.4
219.10161	2.2
231.10159	2.2
241.05006	2.2
249.11192	8.9
258.05322	1.1
277.08701	1.1
287.05518	100.0
288.05862	2.7
369.13223	2.7
369.89468	1.0
374.58298	1.0
401.15945	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	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.61190	0.3
57.03424	1.0
59.84451	0.3
61.02926	1.6
68.99806	0.5
69.03423	0.8
71.01368	0.5
71.15520	0.5
73.02924	11.2
73.21497	0.3
76.95041	0.3
77.08231	0.3
79.05493	0.5
85.02900	0.5
95.04955	0.4
97.02920	0.3
99.37104	0.3
107.04982	0.7
107.49669	0.3
111.00826	0.4
115.03953	0.8
121.02882	3.2
133.02901	0.4
133.28156	0.3
137.02354	1.2
147.04427	0.6
153.01845	4.1
157.06514	0.5
165.01872	1.8
171.04408	0.4
183.02898	1.1
185.05869	0.7
213.05505	1.5
231.06595	1.1
241.04968	0.8
258.05261	1.0
265.60049	0.4
269.04178	0.4
287.05521	100.0
288.05789	2.1
299.05530	1.0
313.06769	0.4
343.08170	0.4
353.06531	1.0
383.07578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01859	0.4
57.03426	0.8
61.02928	1.7
68.99789	0.8
69.03419	0.6
69.29219	2.2
71.01340	0.3
73.02919	11.7
79.05505	0.3
81.03418	0.4
81.07050	0.3
81.89756	0.2
83.05020	0.2
83.73702	0.2
85.02895	0.6
87.04463	0.4
95.04979	0.6
97.02883	0.4
98.20741	0.4
98.21401	0.6
105.03374	0.5
105.07021	0.3
107.04961	0.7
109.02859	0.6
111.00803	0.8
115.03932	0.9
121.02093	0.3
121.02874	2.9
123.04391	0.4
127.03876	0.3
131.04956	0.3
131.24240	0.2
133.02788	0.6
137.02380	1.1
137.05945	0.4
145.06465	0.6
147.04391	0.6
153.01830	4.0
157.06483	0.6
164.32198	0.2
165.01839	2.1
167.07030	1.0
171.04498	0.3
173.05980	0.2
175.03778	0.3
181.04977	0.6
183.02876	1.0
185.05971	0.6
187.07516	0.2
213.05470	1.5
231.06494	0.6
241.04994	0.9
258.05228	1.5
259.06003	0.3
287.05502	100.0
288.05847	2.1
299.05664	1.1
311.05261	0.3
325.07028	0.4
329.06595	0.5
343.08228	0.3
353.06421	0.8
365.06512	0.4
383.07755	1.1
401.08463	0.5
419.13693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.336
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
51.74326	0.8
55.01865	1.3
55.05525	6.6
57.07077	29.1
66.21807	1.0
67.05506	9.0
69.07074	9.4
70.80270	0.8
71.04966	1.3
71.57487	1.2
79.05500	4.9
81.07065	15.6
83.01347	4.4
83.04972	3.6
83.05485	0.9
83.08607	4.7
85.06548	18.1
86.71854	0.8
90.69712	0.8
91.05485	2.8
93.07057	5.3
95.04961	1.3
95.08610	15.3
97.06541	1.9
97.10170	2.5
98.84468	0.8
105.07008	5.6
107.04940	1.3
107.08592	5.2
109.06509	2.8
109.10169	8.5
111.04441	1.5
111.08107	0.9
117.07044	0.9
119.08558	4.2
120.38947	0.8
121.06477	1.8
121.10154	4.0
123.08073	8.9
123.11723	5.5
125.06012	1.6
131.08556	1.8
133.10130	2.9
135.08070	1.8
135.11682	3.1
137.05966	4.1
137.09634	3.1
137.13303	1.4
139.03920	2.2
139.07541	11.4
145.10104	1.0
147.08096	2.0
147.11690	3.1
149.09641	2.0
149.13261	1.3
151.07542	8.7
151.11145	2.1
153.01808	1.7
153.05458	1.6
153.09111	1.1
155.03392	1.2
155.07069	1.1
156.63667	0.8
157.10138	1.7
161.09605	1.8
161.13263	2.0
165.09172	4.5
167.07085	2.2
171.11700	1.7
173.13351	1.0
175.11111	1.0
177.12772	1.4
177.16397	1.1
179.10692	4.3
181.04939	5.7
181.12244	1.3
189.12776	1.3
193.12325	1.8
195.13838	1.8
203.14172	1.0
207.13829	4.9
209.15385	0.9
221.15373	1.7
263.19962	1.0
284.54437	1.0
291.27209	0.8
333.27707	5.4
381.31732	1.2
399.32584	2.6
417.33673	100.0
418.34116	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	417.3363
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
51.02393	1.1
52.11084	0.9
52.81525	0.9
53.03940	1.7
55.05513	8.6
57.07076	43.5
64.07414	1.0
67.05502	7.7
69.03430	1.1
69.07067	10.9
70.22380	2.1
70.22787	2.0
71.04966	1.2
71.08628	1.8
73.41046	1.0
79.05503	5.5
81.07061	17.3
83.01343	9.0
83.04987	1.6
83.08640	5.5
85.02911	4.9
85.06541	26.7
91.05486	5.8
93.07043	5.5
95.04962	2.3
95.08609	16.5
97.06494	1.3
97.10155	3.3
105.07034	5.6
107.04909	1.0
107.08571	6.1
109.06523	18.5
109.10152	10.5
111.00801	0.9
111.11725	1.8
113.58382	0.9
119.08591	3.8
120.08110	2.7
121.06528	2.2
121.10141	4.6
123.08086	6.3
123.11685	8.7
125.06007	8.8
131.08582	1.7
133.10120	3.0
135.08081	3.3
135.11664	2.4
137.05983	35.2
137.09613	3.1
137.13275	4.0
139.07556	3.7
142.71465	1.1
143.08551	1.7
145.10149	2.5
147.11697	2.8
149.09645	3.1
149.13228	1.8
151.07553	6.0
151.11177	2.1
151.14828	1.7
153.05490	2.2
153.09114	1.3
157.10132	2.8
161.09656	2.5
161.13261	2.4
165.09114	4.5
167.07008	1.1
169.39165	1.0
173.13260	1.4
175.11191	2.3
177.09082	3.3
177.16307	1.2
179.10733	6.3
179.14221	1.1
181.05022	1.6
181.12241	1.5
189.12723	2.6
189.16429	1.8
191.10728	2.4
191.18024	1.3
193.12283	5.5
195.13809	2.6
205.12199	1.8
207.13853	3.5
221.15262	1.4
235.16962	1.2
247.16846	1.2
263.20044	2.0
277.21729	1.3
279.19391	1.1
290.82990	1.2
317.24893	1.5
333.27866	23.3
333.31702	1.7
343.26346	1.4
381.31622	1.2
399.32718	6.8
400.33508	2.0
417.17096	3.5
417.33649	100.0
418.34033	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	417.3002
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
50.76004	0.8
52.77833	1.0
53.03941	1.9
55.01875	1.0
55.05513	7.3
57.07062	2.4
60.32400	0.8
61.43330	1.0
67.05514	15.6
68.93111	0.8
69.07071	8.7
69.68759	5.5
71.08603	0.8
76.72636	0.8
77.99205	1.0
79.05508	8.7
81.07064	18.0
83.01340	4.7
83.04987	1.5
83.08596	5.7
91.05478	6.2
93.07072	5.8
95.04984	1.1
95.08607	14.0
97.06518	2.5
97.10163	3.2
98.21077	3.0
105.07023	4.8
107.08591	3.7
109.06528	8.7
109.10170	6.0
109.99033	1.0
111.11690	1.0
119.08541	2.7
121.06526	1.8
121.10123	3.1
123.11678	2.2
124.05202	1.0
127.68661	1.0
133.06476	2.9
133.10153	2.0
135.11676	1.5
137.05981	17.4
137.13176	1.7
138.03099	2.6
147.08018	1.9
147.11658	1.5
151.07547	5.6
153.05469	5.1
155.07042	14.0
161.05980	4.7
161.13234	1.6
163.14827	1.8
165.05513	1.5
165.09111	4.4
166.02594	2.6
167.07053	65.7
175.07558	1.3
175.14801	1.2
177.05565	1.2
178.06268	2.4
179.06987	1.2
179.17924	0.9
181.04971	100.0
181.08478	3.5
182.05399	1.1
183.06500	3.6
184.03699	3.9
191.07008	4.1
193.08620	14.3
205.08688	1.8
209.08182	5.3
216.08188	0.9
219.10210	1.4
219.21260	2.2
221.11711	5.1
223.09726	1.4
233.11685	1.6
237.11337	1.3
245.22688	3.8
263.23712	3.2
347.22394	0.9
399.28867	1.3
417.29919	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	417.3363
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
53.03939	1.6
53.91042	1.1
55.05516	7.7
57.03437	1.5
57.07079	46.2
59.10211	1.0
65.65915	1.0
67.05508	5.3
69.03427	3.4
69.07068	12.2
69.57694	7.3
71.08634	1.6
73.11186	0.9
79.05479	5.0
81.07065	19.0
83.01345	11.5
83.04972	2.7
83.08618	6.1
85.02908	3.8
85.06549	25.3
85.10169	1.6
91.05454	5.3
93.07037	5.5
95.08611	18.5
97.06525	1.8
97.10164	4.2
98.20849	1.9
98.47221	1.2
105.07021	5.7
107.04961	1.4
107.08600	7.1
109.06522	21.1
109.10157	12.9
111.04452	1.6
111.11731	1.7
119.08569	5.4
120.08112	2.7
121.06527	2.6
121.10095	5.0
123.08093	5.4
123.11723	6.4
124.05208	1.1
125.05987	9.9
131.08583	2.6
133.10129	3.8
135.08054	2.3
135.11720	3.1
137.05981	33.9
137.09628	3.0
137.13237	2.3
139.07571	3.5
143.08545	1.4
145.10132	4.2
147.07994	1.6
147.11691	3.0
149.09642	2.8
149.13298	1.6
151.07571	5.5
151.11211	1.6
151.14813	1.5
153.05536	5.0
154.17339	1.2
157.10176	1.5
159.11688	1.5
161.09634	2.0
161.13261	2.0
163.11179	2.5
163.14804	2.0
165.09109	4.6
165.12898	2.2
167.07054	1.8
171.11670	1.0
173.13222	1.2
175.11270	2.1
177.09123	2.0
177.12738	1.1
179.10637	4.6
179.14165	1.2
181.05048	1.3
181.12164	1.5
187.11124	1.3
189.12721	2.3
191.10663	1.1
193.12254	6.8
195.13814	3.3
203.14337	1.2
207.13811	4.6
221.15398	3.8
249.18581	1.7
263.20062	2.2
279.19580	2.5
315.26691	1.4
317.24933	1.5
333.27942	21.7
343.26294	1.8
399.32568	5.4
417.16888	4.2
417.33646	100.0
418.33954	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	417.3002
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
53.03942	0.7
53.26190	0.2
55.01863	0.7
55.05267	0.5
55.05516	7.8
57.03429	0.3
57.07079	1.7
63.41796	0.3
65.03951	0.5
67.05510	10.7
69.03429	0.6
69.07072	9.8
71.08636	0.6
71.28957	0.3
71.29299	0.3
79.05497	4.7
81.07065	11.2
83.01350	2.0
83.04972	0.7
83.08622	4.3
85.06522	0.4
85.10169	0.3
91.05490	2.7
93.07050	3.6
95.04961	0.6
95.08612	9.6
97.02882	1.2
97.06535	2.0
97.10184	2.7
99.08099	0.3
105.07047	1.6
107.04985	1.6
107.08604	2.5
109.06514	0.8
109.10161	5.1
111.04407	0.6
111.08132	0.6
111.11703	1.0
112.99838	0.2
119.08617	1.7
121.06480	0.4
121.10172	2.3
122.07288	0.6
123.08067	1.0
123.11699	2.0
125.05994	1.1
131.08607	0.3
133.10159	1.6
135.04401	0.8
135.08073	0.6
135.11708	1.0
137.05966	1.8
137.09669	0.3
137.13268	0.9
139.07556	1.6
147.08060	1.6
147.11690	1.0
149.13280	0.8
150.06787	1.8
151.07570	6.7
151.14796	0.4
152.07895	1.5
153.05466	1.2
155.05775	0.4
155.07037	7.1
161.13295	1.1
163.03929	0.3
163.07556	0.5
163.14867	0.6
165.05475	0.5
165.09114	1.4
165.16444	0.3
167.07056	20.9
175.07539	2.6
175.14813	0.8
177.05453	0.5
177.09087	0.7
178.06259	0.5
179.03404	0.5
179.07057	0.8
179.17943	0.5
181.04971	100.0
182.05342	0.8
183.06525	4.3
189.16348	0.5
191.07051	2.5
191.10666	0.9
192.11064	0.6
193.08630	3.8
199.06065	0.6
203.17809	0.3
205.08667	1.1
209.08093	3.8
219.10179	0.7
219.21115	1.5
221.11783	2.2
223.09697	1.1
231.10223	0.6
233.11838	0.8
235.13345	0.7
237.11292	0.6
245.22714	2.7
251.12801	0.4
263.23654	3.0
293.17352	0.3
293.28409	0.3
307.19070	0.3
319.22705	0.4
321.20743	0.5
333.24176	0.6
335.22110	0.5
399.28918	2.1
417.29996	15.6
417.36752	4.9
418.30331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46440	0.8
53.03937	1.2
55.01871	2.3
55.05513	11.0
57.07078	9.7
67.05164	1.5
67.05507	20.3
68.30283	0.9
69.03421	1.1
69.07070	11.9
69.51556	1.4
69.51882	7.0
74.83888	0.9
79.05489	9.0
81.07060	25.8
83.01338	3.4
83.04992	3.2
83.08630	7.5
85.06531	5.1
91.05474	5.8
93.07047	8.2
95.04967	1.9
95.08608	19.0
97.02886	1.4
97.06525	3.7
97.10165	3.8
98.21398	2.4
105.07053	4.5
107.04985	1.7
107.08619	6.5
109.06509	2.4
109.10157	9.7
111.08087	1.6
111.11711	1.8
119.08588	6.9
121.06472	1.9
121.10153	5.5
123.08050	3.3
123.11710	5.8
125.05984	2.4
133.10136	4.2
135.08070	1.7
135.11705	2.1
137.05960	4.5
137.09618	1.8
137.13228	2.0
139.03973	1.6
139.07536	11.9
141.05502	2.0
145.10101	1.6
147.08081	3.6
147.11679	2.7
149.13240	1.7
151.07544	8.7
151.11148	1.5
153.01852	1.4
153.05443	4.2
155.07050	9.8
157.10173	1.2
159.11769	1.0
161.13275	2.1
163.14766	1.4
165.05498	1.6
165.09174	2.9
165.16487	1.0
167.03380	1.4
167.07053	28.6
167.10695	1.1
167.56479	0.8
175.07545	2.9
175.11197	0.8
175.14825	1.7
179.07036	1.5
181.04959	100.0
181.12244	2.3
182.05249	1.1
183.06511	3.2
189.16397	1.2
191.07042	4.0
193.08647	5.1
193.12297	1.2
205.08615	1.4
205.32411	0.9
207.13895	1.3
209.08127	4.8
215.14893	0.8
219.21046	1.6
221.11731	3.7
223.09610	1.3
231.10172	1.6
233.11717	1.0
245.22701	3.6
263.23773	4.8
277.21704	1.6
305.21323	1.9
319.22733	1.5
333.24207	2.5
333.27914	3.9
361.27432	1.6
399.28860	4.0
417.29532	11.5
417.34589	18.9
426.01318	1.1
428.14938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2635
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
51.91000	1.5
52.95323	1.4
53.03936	3.7
55.01858	2.7
55.05509	15.2
57.03186	2.1
57.03440	33.5
57.07067	5.5
65.03931	3.4
67.05504	58.3
68.99770	1.8
69.07073	14.1
71.04979	5.0
71.57230	1.9
71.57624	2.1
79.05489	50.9
81.06574	3.7
81.07056	64.8
83.01335	3.3
83.04975	6.9
83.08626	8.4
85.06534	12.1
91.05482	37.0
93.07041	70.0
95.04968	10.4
95.08607	60.9
95.09061	1.1
95.09230	2.0
97.06516	9.3
97.10189	5.2
99.08092	6.0
105.07034	34.9
107.08598	49.6
109.06522	11.6
109.10155	21.3
111.04466	2.3
111.08099	3.9
113.09634	3.0
116.37688	1.6
117.06301	1.4
117.07000	10.3
119.07778	2.7
119.08586	30.4
121.06552	1.7
121.10148	35.5
123.04420	15.5
123.08073	5.0
123.11687	6.4
125.06073	1.9
125.09644	3.9
127.07633	2.3
127.25739	1.5
129.06995	5.2
131.08557	21.1
133.10136	19.1
135.08061	2.6
135.11691	34.2
137.05995	5.8
137.09593	4.2
141.05464	100.0
143.08565	3.3
145.10118	24.0
147.11678	18.0
149.09616	3.1
149.13269	20.6
150.71754	1.5
151.07532	3.5
151.11122	2.4
153.05470	25.0
157.10146	4.5
159.11673	15.2
161.13278	12.6
163.11172	3.9
163.14821	3.7
165.12709	3.8
167.03403	86.5
167.07091	3.0
169.05005	2.3
171.11705	8.1
173.13263	7.3
175.11111	2.2
175.14821	8.0
177.05495	5.3
179.07034	2.9
181.04953	2.3
181.12164	1.9
185.13242	8.5
187.14818	46.5
191.06995	2.3
191.14290	2.9
195.06509	4.4
199.14777	3.2
203.17914	4.6
205.15889	22.2
213.16496	3.0
221.19026	4.2
231.21141	1.9
241.19514	12.4
245.60329	1.6
259.20560	26.7
277.21616	41.1
325.21136	1.9
327.71677	1.7
397.29840	1.6
417.33926	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	417.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52049	0.3
53.03964	0.9
53.13149	0.3
55.01890	1.0
55.05516	7.6
57.03453	0.4
57.07085	2.2
62.21321	0.3
62.51070	0.3
65.03947	0.7
67.05510	13.2
69.03445	0.4
69.07072	9.5
70.34459	1.1
71.08636	0.7
79.05495	5.4
80.51590	0.3
81.06574	0.7
81.07062	13.5
83.01350	1.8
83.04986	0.8
83.08624	5.9
85.06559	0.9
85.10224	0.3
91.05479	3.5
93.07054	3.8
95.04982	1.1
95.08617	11.7
97.02911	1.0
97.06532	2.4
97.10168	2.7
105.07027	2.3
107.04974	0.9
107.08600	2.5
108.26407	0.3
109.06544	0.9
109.10161	5.6
111.04440	0.4
111.08093	0.6
111.11743	1.1
117.06989	0.4
119.08611	2.6
121.06521	0.8
121.10149	2.5
123.08081	1.0
123.11700	2.5
125.05998	1.5
125.09674	0.4
131.08603	0.5
133.10146	2.0
135.04372	0.3
135.08076	0.9
135.11713	1.2
137.05988	2.5
137.09593	0.8
137.13237	0.9
139.07564	2.1
141.05450	0.6
147.08043	1.3
147.11740	1.5
149.09653	0.4
149.13263	1.1
151.07539	4.3
151.14792	0.3
153.05446	1.8
154.06331	0.4
155.07039	12.7
159.08122	0.3
161.05954	0.3
161.13237	1.0
163.07559	0.5
163.14830	1.1
165.05464	0.7
165.09087	1.5
165.16402	0.8
167.07056	25.8
167.78131	0.3
168.03712	0.5
168.07368	0.4
175.07576	2.4
175.14809	0.9
177.05432	0.7
177.09106	1.0
179.03377	0.7
179.07010	0.6
179.14458	0.3
179.17868	1.4
181.04970	100.0
182.05331	1.6
183.06512	3.2
189.16400	0.3
190.11720	0.3
191.07080	2.6
193.08623	4.1
195.06419	0.5
197.08083	0.4
199.06102	0.4
205.08585	1.3
207.06538	0.5
209.08131	3.5
219.10144	1.3
219.21082	1.7
219.60413	0.3
221.11754	3.3
221.22711	0.4
223.09650	1.4
231.10126	1.0
233.11653	0.4
235.13300	0.7
237.11349	0.6
245.22705	3.5
251.12572	0.4
263.23712	3.6
265.14502	0.3
307.18985	0.4
319.22577	0.7
333.24207	0.8
374.71045	0.3
399.29004	2.8
417.29782	16.7
418.30087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2271
Annotation	Hellebrigenin
Peak:m/z	Relative Intensity
53.03949	8.0
54.82088	4.8
55.01867	11.0
55.05515	29.4
57.03434	11.4
67.05503	71.1
68.51305	4.4
68.99783	8.6
69.03423	23.1
69.07059	20.8
69.71663	10.4
69.72076	21.7
71.04993	8.7
79.05052	8.6
79.05498	82.5
81.03421	8.0
81.07059	100.0
83.01339	9.1
83.04986	26.4
83.08629	12.3
91.05484	86.8
93.07050	86.4
94.02551	4.9
95.04982	29.7
95.08611	52.9
95.15279	5.4
97.06561	24.7
97.10223	4.5
98.20884	12.2
98.21484	8.4
99.04460	4.2
103.05455	5.5
105.07029	58.7
107.04964	14.9
107.08601	35.0
109.06523	26.5
109.10155	13.5
111.04403	6.4
111.08066	6.1
115.05455	7.9
117.07040	26.2
118.15189	5.3
119.08562	48.9
121.06506	17.7
121.10129	24.1
123.04408	8.1
123.08064	15.7
125.05992	11.1
127.03892	15.2
129.06978	23.3
131.08583	34.5
133.06476	9.8
133.10138	22.8
135.08076	18.5
135.11719	13.7
137.05983	18.4
137.09587	8.3
139.03883	27.8
139.11171	5.3
141.05434	4.9
143.08557	20.9
145.10146	20.9
147.08026	23.8
147.11639	11.9
149.05975	8.9
149.09630	12.9
149.13229	6.8
151.07558	32.4
153.01839	34.8
153.05539	24.1
155.07040	53.3
155.08450	11.6
157.10139	20.2
159.08075	9.8
159.11670	13.7
161.09634	18.0
161.13234	12.2
162.79204	5.0
163.03952	7.2
163.07529	8.4
163.11121	7.5
165.01855	7.9
165.05505	8.7
165.09108	9.5
167.03493	7.1
167.07054	59.6
167.08435	9.4
167.10724	16.4
169.10172	7.7
171.11729	13.7
173.09618	7.7
173.13278	9.1
175.03795	4.8
175.07591	14.9
177.01819	7.0
177.05460	19.7
178.06219	5.2
179.03442	5.3
179.07027	13.0
181.04962	97.4
183.02876	6.1
183.11722	8.6
185.13257	12.9
191.07048	52.3
191.10724	7.2
193.08620	17.8
193.12343	4.6
195.11609	5.8
197.13248	7.6
199.14790	11.4
201.12779	5.9
203.07013	9.5
204.07893	5.0
205.05083	12.6
205.08646	15.1
205.12349	6.6
207.06554	10.7
207.10182	15.3
209.08191	5.8
209.13232	6.2
213.08891	5.7
215.07043	11.8
217.04857	7.1
217.08632	11.2
217.15855	8.6
219.06670	7.6
219.10199	14.3
221.11781	10.9
227.14339	8.7
229.08580	14.4
231.06532	7.2
231.10193	39.1
233.11742	29.2
235.09540	6.1
243.06548	8.3
243.10161	8.5
244.10959	6.1
245.11771	9.4
245.15366	21.5
257.11765	6.1
261.11020	6.2
273.18182	6.1
315.15778	9.6
329.17465	13.9
333.16885	10.9
341.17517	11.4
343.19052	19.9
355.19070	11.6
363.19702	7.5
380.92645	5.1
381.20554	58.0
389.31958	8.2
399.21701	84.6
417.22501	59.0
417.31424	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	417.2271
Annotation	Deoxyschisandrin
Peak:m/z	Relative Intensity
53.03943	8.2
55.01868	13.7
55.05508	15.9
65.03952	5.6
66.93144	4.5
67.05513	46.3
68.82154	5.1
69.03430	18.3
69.07064	12.2
70.20158	6.5
70.20509	23.3
79.05490	68.6
81.03411	10.5
81.07062	74.3
83.01334	12.3
83.04975	9.0
83.08617	10.2
91.05479	63.6
93.07047	48.4
95.04973	20.1
95.08608	27.0
96.82243	5.4
97.06533	22.7
98.20781	7.7
98.21371	9.4
99.49895	5.7
103.05472	6.2
105.07039	42.5
107.04947	30.2
107.08598	23.8
109.06512	18.3
109.10131	8.1
111.08174	6.4
115.05456	22.2
115.62897	4.9
117.07032	31.7
119.08590	44.7
121.06500	20.7
121.10159	21.2
123.04491	7.0
123.08119	9.7
125.05978	8.0
127.03901	14.7
128.06236	15.9
129.07014	17.3
131.08582	34.5
133.06465	18.3
133.10133	21.8
135.08064	16.2
135.11713	9.6
137.05975	17.5
137.09634	9.5
139.03900	13.2
143.08551	32.5
145.06487	10.5
145.10110	26.8
147.08070	17.6
147.11766	11.7
149.09605	11.5
149.13283	6.6
151.07568	10.3
152.36305	5.7
153.01828	17.9
153.05450	46.4
155.07033	38.9
155.08360	7.0
157.10144	13.7
159.08035	8.3
159.11673	13.4
161.06004	12.1
161.09641	11.8
163.03938	7.7
163.07500	12.2
165.05579	9.0
165.09129	4.8
167.07022	57.2
167.10719	14.8
171.06616	11.8
171.08057	21.2
171.11697	12.3
173.06033	8.1
173.09634	6.5
173.13269	7.9
175.07527	61.0
175.11209	23.5
177.05429	8.9
177.09084	8.5
178.06268	15.5
179.06866	6.8
181.04967	71.0
181.08592	28.4
185.13268	11.7
187.07478	9.7
187.11247	6.7
188.08331	18.6
189.05481	5.9
189.09149	10.4
191.07085	13.9
193.08574	27.1
195.10205	16.9
203.10669	100.0
207.06505	7.2
227.14180	6.6
229.08566	7.8
245.15416	13.9
247.17026	8.2
263.12729	11.1
271.02618	6.6
273.18420	18.9
329.13809	23.2
329.17401	7.1
381.20291	11.8
382.34000	4.9
399.21564	30.0
417.22678	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	417.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15892	0.4
63.40830	0.5
67.05470	0.6
67.51274	0.4
69.03416	1.0
71.56615	0.6
72.08170	0.6
74.60828	0.4
85.02900	1.2
86.09691	1.0
91.05485	0.6
97.02871	0.6
97.06509	0.5
98.20975	0.5
123.04408	1.4
125.05927	0.4
127.03927	0.6
135.04362	0.7
138.05508	0.9
153.01848	1.7
156.06622	0.5
163.03899	0.5
163.11143	0.9
167.07037	0.8
169.77489	0.4
175.71211	0.4
255.15990	0.9
259.06912	0.4
275.75653	0.4
317.08481	2.3
417.13647	100.0
418.14056	2.9
432.35867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2271
Annotation	Armillyl everninate
Peak:m/z	Relative Intensity
53.03944	6.8
55.01870	10.4
55.05511	24.7
57.03432	6.2
64.12564	4.4
65.03965	7.6
67.05506	67.2
68.99804	10.6
69.03426	19.2
69.07063	14.6
69.49505	17.9
69.49937	18.2
71.04975	7.8
79.05494	76.9
81.03414	10.0
81.07062	100.0
83.04979	17.5
83.08611	5.3
91.05485	71.8
91.15761	3.8
93.07054	70.1
95.04976	24.5
95.08604	48.0
97.06506	11.5
98.21228	16.3
105.07030	54.4
107.04960	18.2
107.08601	32.5
109.06511	17.5
109.10156	19.0
111.00751	4.8
115.05465	5.5
117.07037	23.7
119.08568	36.8
121.06503	19.3
121.10140	25.0
123.04432	7.6
123.08099	6.0
123.11688	7.7
125.05981	6.8
127.03902	33.6
128.06190	4.3
129.06989	15.3
131.08575	40.1
133.06393	8.7
133.10139	21.8
135.08046	10.4
135.11650	10.0
137.05983	12.0
137.09534	8.1
139.03896	54.0
141.07034	5.3
143.08559	14.4
145.06462	6.5
145.10085	27.6
147.08031	15.5
147.11711	24.4
149.09665	5.2
149.13263	8.5
153.01828	82.0
153.05432	23.3
155.08546	6.4
157.10109	10.1
159.08040	5.5
159.11674	10.8
161.05936	4.3
161.09592	10.6
161.13278	7.6
163.03915	20.3
165.01851	8.4
165.05495	14.5
165.12770	8.2
167.03395	11.5
167.07053	29.5
171.11673	9.5
173.05933	5.4
173.13304	8.0
175.03925	5.6
175.07579	4.9
175.14795	5.7
177.01848	5.3
177.05496	12.2
179.03410	8.2
179.07085	5.9
181.04915	26.2
183.02881	6.7
187.14835	11.8
189.05467	5.9
189.12843	6.2
191.07043	19.3
193.08636	8.2
198.30620	4.4
199.14859	6.2
203.07118	10.9
205.08612	7.4
215.07118	6.8
215.14166	5.3
217.08652	12.1
217.15788	5.3
219.06531	5.0
221.08046	5.3
229.08565	10.3
231.06534	6.4
233.08234	6.7
233.15361	7.4
243.06517	8.1
245.15309	6.4
247.09717	6.5
247.16910	8.5
273.18451	31.5
291.19467	9.2
301.14471	7.5
325.21442	5.4
329.17453	8.7
341.17361	8.1
355.18994	29.1
357.20639	4.9
363.19528	11.2
373.20096	5.0
381.20544	58.4
399.21753	70.0
417.14981	6.8
417.22702	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	415.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.3
53.03941	2.3
55.05515	6.3
57.03435	1.5
57.07060	1.2
65.03936	2.4
67.05509	48.6
69.07059	7.5
70.02261	6.7
79.05495	18.1
81.07060	45.8
83.01335	4.5
83.08633	1.8
91.05485	11.1
93.07054	16.9
95.04977	3.4
95.08612	42.1
97.06533	1.9
97.10150	1.9
98.20762	2.5
98.21375	2.5
105.07038	9.2
107.08595	10.1
109.06533	8.6
109.10168	15.8
111.08094	1.3
117.07043	1.8
119.08577	6.7
121.06459	1.4
121.10149	9.4
123.11732	8.5
131.08571	3.4
133.06509	3.1
133.10132	5.4
135.11682	4.5
137.05986	18.2
137.13251	4.2
138.03099	2.5
141.05463	1.3
145.10104	1.6
147.08014	1.9
147.11697	3.8
149.13258	4.6
151.07533	5.2
153.05531	7.5
155.07045	15.5
159.11659	3.2
161.05966	6.5
161.13213	4.0
163.14752	3.5
165.09125	4.5
166.02600	2.4
167.07053	69.9
173.13271	1.9
177.05496	2.9
177.16402	2.4
178.06276	1.7
181.04974	100.0
181.08508	2.7
183.06538	2.5
184.03761	2.1
187.14804	2.0
191.07057	3.7
193.08643	15.4
205.08699	1.4
209.08099	6.7
217.19472	1.7
219.10034	1.8
221.11688	4.2
233.11678	2.2
235.13426	1.4
237.11266	2.0
243.21034	4.8
261.22180	22.0
344.11865	1.7
370.12430	1.8
371.12918	3.9
372.13806	4.1
373.15012	1.4
383.12769	1.3
384.13406	1.7
385.14343	7.5
386.15128	3.9
387.15991	4.0
397.27658	1.3
399.16367	6.9
400.12485	2.5
400.17496	5.9
401.13516	1.8
413.13556	2.0
414.14124	3.6
414.18924	2.2
415.15353	63.7
415.19516	31.6
415.27567	10.0
416.15427	14.5
416.20190	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	415.2843
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
55.05495	4.0
57.07065	3.2
57.31942	1.0
63.47602	0.8
67.05498	5.3
69.07063	4.1
69.59692	6.7
71.08617	1.6
79.05508	1.2
81.07063	6.4
91.05451	1.9
93.07043	3.4
95.08594	3.7
97.10188	1.3
98.20896	2.5
105.07014	1.5
107.08601	1.0
109.10130	2.4
119.08590	8.3
121.10134	2.4
123.04452	0.9
123.11733	0.9
124.23712	0.8
135.11719	1.1
139.03903	3.4
139.16310	1.0
145.10124	0.9
151.07552	2.2
153.01823	19.8
153.05435	1.1
154.66051	0.8
163.03859	2.0
167.07048	1.7
179.03398	6.0
181.04996	5.9
191.03369	1.7
191.07071	1.0
192.04182	10.2
193.05029	2.7
193.08792	1.1
205.04968	31.0
206.05748	1.1
219.06514	3.9
233.08118	1.0
247.09648	1.3
261.11130	2.0
261.22134	1.6
275.12881	1.3
289.14352	2.0
303.15994	1.7
317.17471	3.4
329.39398	0.9
331.18994	3.1
345.20566	3.1
359.22183	2.1
373.23734	1.3
415.28409	100.0
416.28836	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	415.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.1
62.40538	4.4
67.05512	36.3
69.07066	25.8
71.38722	3.8
71.57894	6.6
72.19827	4.4
73.85144	3.8
79.05498	12.0
81.07061	51.1
83.08638	10.6
91.05482	8.5
93.07040	28.0
95.08611	100.0
105.07037	11.3
107.08594	45.6
109.10153	97.2
111.11723	15.0
119.08592	33.1
121.10172	32.9
123.08042	8.1
123.11715	20.9
130.49542	4.2
135.11729	21.1
137.13278	8.3
149.13278	13.1
151.07582	13.9
163.14833	15.3
167.10675	4.4
175.63928	4.6
177.16396	13.4
181.05055	8.8
191.17995	12.6
203.18073	5.7
205.19533	18.4
209.15471	4.6
305.25644	4.7
319.26212	6.7
370.94012	4.9
402.90744	4.8
415.35568	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	416.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.1
57.03430	6.6
61.94206	4.3
66.02636	3.7
69.03444	21.8
70.06599	8.3
71.04990	16.4
71.56971	5.6
73.06561	100.0
78.03452	8.0
81.03416	23.4
83.04990	29.2
85.02911	45.0
89.29298	4.6
96.04506	6.5
97.02903	29.6
101.06016	48.2
106.02918	43.7
109.02886	15.6
109.07495	3.9
119.07058	21.0
120.08138	6.1
122.47521	5.0
123.04405	4.9
124.03966	55.8
127.03921	24.6
135.04726	8.5
137.08141	4.9
140.03519	6.4
145.04988	11.6
153.01836	8.2
153.05818	19.2
154.05020	7.0
154.06181	7.8
181.05061	5.3
205.84415	4.2
245.10411	4.1
250.07115	17.8
263.11267	5.2
268.08218	26.1
295.74023	4.3
363.16760	7.4
381.18024	4.4
392.95374	5.3
416.11517	9.8
417.13669	11.7
426.23459	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	415.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01873	1.8
55.05516	7.3
55.86749	0.7
57.07074	1.3
60.36367	0.8
65.03935	1.9
67.05508	52.3
69.07072	4.4
70.19644	1.7
71.08628	1.1
79.05491	16.4
81.07063	59.6
82.07368	1.1
83.01333	2.2
83.04958	1.0
83.08615	2.9
91.05484	7.6
93.06478	1.2
93.07058	16.7
95.04967	1.6
95.08613	44.5
96.08955	0.9
97.06507	1.9
97.10171	1.3
98.21130	1.5
105.07046	5.4
107.04980	0.9
107.08601	10.9
109.06525	2.7
109.10156	18.6
111.08028	0.9
117.07018	1.3
119.08566	5.0
121.06546	1.2
121.10165	10.3
123.08096	1.1
123.11717	11.1
125.05997	1.4
131.08562	4.2
133.10127	3.9
135.11717	6.0
137.05997	10.1
137.09596	1.8
137.13272	5.7
137.65269	0.8
139.07564	2.0
139.11174	0.8
145.10141	3.3
147.11681	3.7
149.13240	5.8
151.07567	3.9
151.14749	1.2
153.05492	1.6
155.07037	50.6
156.70847	0.9
159.11707	2.8
161.13322	4.2
163.14854	2.8
165.05464	1.2
165.09108	1.4
167.07051	28.6
169.08728	1.1
173.13316	3.1
175.07555	3.4
177.16434	3.6
179.07048	1.1
179.81091	0.9
181.04968	100.0
181.08501	3.0
183.06512	4.3
187.14844	2.4
191.07005	2.2
191.63972	0.9
193.08612	5.6
198.39539	0.9
205.08644	1.8
209.08115	5.0
217.19572	4.1
219.10086	1.4
221.11716	4.5
223.09680	1.4
231.10228	1.2
233.11703	1.4
233.22591	1.8
235.13361	2.0
243.21132	7.7
247.13300	1.6
261.22162	39.2
262.22433	1.5
265.14392	0.9
279.15976	2.2
293.17545	1.3
307.18951	1.3
381.25314	0.8
397.27310	1.9
404.24823	1.1
415.28488	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01865	2.4
55.05516	8.6
56.03683	1.4
57.03439	1.9
57.07076	2.5
67.05506	55.8
67.74107	1.4
69.07074	10.3
70.77118	4.5
71.08620	1.6
79.05487	18.1
81.07061	62.0
83.01343	1.9
83.04983	2.0
83.08624	3.7
91.05479	10.9
93.07050	22.4
94.95396	1.4
95.04974	1.7
95.08607	48.6
97.02885	2.4
97.06555	2.0
97.10152	3.6
98.20703	1.5
98.21328	2.6
105.07045	10.9
107.04917	1.8
107.08596	17.7
109.06509	1.6
109.10171	15.7
111.04389	1.6
111.45512	1.4
117.07037	3.5
119.08583	11.2
121.10126	12.6
123.11725	11.5
125.24532	1.3
125.77611	1.5
131.08566	5.9
133.10136	7.6
135.11699	10.4
137.05969	6.5
137.13255	5.0
139.07515	1.8
141.05418	3.0
145.10121	4.7
147.11681	4.3
149.13272	7.6
151.07539	4.0
151.14784	2.3
153.05461	5.1
155.07051	27.5
159.11699	5.2
161.13284	4.9
163.14827	4.0
165.09149	1.7
167.03378	3.6
167.07040	26.8
173.13173	7.5
175.07533	1.6
177.16383	5.2
181.04967	100.0
182.05316	2.1
183.06531	3.2
187.14803	3.7
191.06963	2.9
193.08633	6.1
209.08070	5.6
217.19565	4.9
219.17485	2.7
221.11711	2.9
233.22661	2.2
235.13174	2.3
243.21136	10.5
245.11516	1.5
261.22137	46.6
275.20145	7.7
397.27353	4.6
415.14960	11.4
415.28073	15.5
416.16055	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2844
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
50.05414	0.7
53.03939	1.8
55.01878	1.3
55.05512	6.8
56.56052	0.5
57.03430	0.6
57.07069	1.2
59.30529	0.5
65.03936	1.9
67.05505	45.2
69.07069	5.7
69.63081	4.0
77.03919	0.8
79.05491	15.7
81.07059	47.5
82.67191	0.5
83.01334	2.4
83.04987	1.0
83.08609	2.8
85.06530	0.8
91.05482	7.8
93.07044	14.5
95.04967	1.9
95.08610	37.2
97.02896	1.4
97.06530	1.6
97.10168	1.0
98.21081	2.2
105.07045	4.9
107.04948	1.3
107.08596	7.4
109.06508	1.7
109.10159	16.5
111.08091	0.9
117.07006	2.0
119.08603	4.0
121.06493	1.1
121.10135	7.3
123.08063	1.0
123.11706	8.7
123.48205	0.6
125.05972	1.2
131.08548	2.4
133.10149	3.6
135.11710	6.4
137.05959	3.5
137.13248	2.4
139.07530	2.0
145.10109	2.1
147.08035	2.3
147.11671	2.8
149.13228	3.3
151.07562	4.6
151.14807	1.0
153.05470	1.8
154.06241	0.6
155.07040	13.9
159.11726	2.5
161.13263	2.5
163.07545	0.9
163.14807	2.0
165.05501	1.0
165.09108	1.3
167.05621	1.4
167.07050	25.8
169.08553	0.8
173.13272	2.0
175.07562	3.4
175.14857	0.9
177.09206	0.7
177.16374	1.9
179.03294	0.9
179.07042	1.2
181.04964	100.0
181.08289	3.1
182.05284	1.0
183.06529	3.6
187.14868	1.7
190.44360	0.5
191.07063	3.7
193.08621	4.9
195.06422	0.6
197.08208	0.6
201.16455	0.9
205.08569	1.5
209.08101	4.4
217.19489	1.9
219.10196	1.4
219.21227	0.6
219.47159	0.6
221.11798	2.0
223.09653	1.5
233.11746	1.2
233.22752	1.0
237.11037	0.7
243.21107	5.0
261.22159	23.6
275.91650	0.6
279.16266	0.8
293.17542	1.2
305.20605	0.6
307.18945	1.1
315.19427	0.6
349.23853	0.8
397.27261	1.6
415.15134	1.3
415.20016	0.9
415.28485	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98987	1.1
55.05518	6.0
57.07084	1.4
65.03957	1.8
67.05510	41.5
68.83534	1.1
69.07076	6.4
69.66013	3.6
69.66446	3.9
79.05497	14.1
81.07063	48.6
81.83938	1.0
83.01344	2.1
83.08629	2.8
91.05490	6.9
93.07050	13.5
95.08612	38.4
97.02914	1.2
97.06570	1.5
97.10177	1.3
98.20901	3.0
98.48052	1.1
105.07037	3.3
107.08590	10.6
109.06519	1.4
109.10157	16.6
111.08079	1.3
113.05311	1.1
117.07025	1.7
119.08600	4.6
120.90372	1.2
121.10175	7.7
123.11697	6.7
131.08589	3.6
133.10150	2.3
135.11703	6.5
137.05975	3.0
137.13258	2.4
139.07608	1.3
145.10161	2.8
147.11678	2.8
149.13248	3.7
151.07553	3.8
153.05482	1.6
155.07037	13.3
159.11726	3.0
161.13255	1.9
163.14806	4.8
165.05553	1.2
165.09154	2.4
167.07057	25.3
167.08421	2.0
173.13345	2.4
173.83440	1.1
175.07571	3.5
177.16353	1.7
179.07028	1.3
181.04968	100.0
181.08418	2.8
183.06517	4.8
187.14848	1.5
191.06966	2.1
193.08629	5.1
209.08121	4.6
211.81454	1.2
217.19600	3.1
221.11761	2.2
223.09778	1.5
243.21091	4.8
261.22177	23.4
279.15979	1.5
307.18948	1.5
397.27405	2.1
415.28448	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	415.2844
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
53.03934	2.9
53.70700	0.8
54.43901	0.9
55.01876	1.3
55.03103	1.0
55.05512	7.3
60.25045	0.8
65.03941	3.1
67.05509	47.5
69.07077	5.8
71.29166	1.9
79.05501	23.0
81.07063	49.0
83.01334	7.0
83.04980	1.1
83.08612	2.6
91.05482	13.6
93.07056	17.8
95.04961	3.4
95.08615	33.6
98.21140	1.0
105.07031	8.3
107.04925	1.4
107.08608	12.1
109.06523	10.2
109.10171	16.1
117.07017	2.8
119.08606	6.6
121.06519	2.3
121.10152	7.5
123.04399	1.2
123.08104	1.1
123.11727	6.0
123.99187	0.9
124.05209	1.2
125.06001	1.2
131.08575	3.2
133.06500	4.7
133.10139	4.2
135.08118	1.2
135.11699	5.2
137.05989	19.1
137.13251	2.0
138.03117	3.6
139.07574	1.4
145.10120	3.7
147.08047	1.9
147.11670	2.8
148.62009	0.9
149.13248	3.9
150.06732	1.4
151.07532	5.8
153.05435	5.6
155.07031	13.0
159.11723	1.5
161.05992	6.1
161.13261	1.8
162.06679	1.3
163.14827	3.2
165.05508	1.8
165.09161	6.2
166.02614	3.9
167.07057	66.7
173.13257	2.3
175.07515	2.1
177.05492	4.1
177.16364	1.7
178.06232	1.9
179.06964	1.0
181.04974	100.0
181.08522	3.4
183.06502	3.7
184.03674	5.5
187.14862	1.2
191.07088	4.3
193.08614	14.0
207.10159	1.2
209.08147	4.1
217.19563	1.2
219.10265	1.4
221.11765	2.6
223.09622	1.4
232.56866	0.9
235.13266	1.1
243.21162	3.0
261.22131	13.0
279.15952	1.1
293.17242	1.2
307.18976	1.0
376.50360	0.9
397.27081	1.0
415.28339	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	415.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.1
55.05524	23.3
67.05509	64.1
69.07058	16.6
69.66537	18.3
71.04964	5.9
79.05492	69.7
81.03407	5.5
81.07058	100.0
83.01329	5.9
83.04974	7.5
83.08607	9.0
85.06538	11.5
91.05479	80.1
93.07053	66.9
95.04982	65.7
95.08609	61.3
97.06537	6.5
98.20843	9.7
98.21442	8.2
99.04482	4.9
105.07034	97.2
107.04974	7.9
107.08603	40.8
109.06507	16.1
109.10152	20.9
111.04424	4.9
111.08087	6.7
117.07018	23.7
119.08585	99.5
121.06527	4.6
121.10159	20.6
123.04424	12.4
123.08067	8.2
128.06215	5.6
129.07007	11.8
131.08585	44.6
133.10138	53.7
135.08086	12.0
135.11693	18.6
137.05931	5.1
137.09575	4.7
139.03886	11.6
141.05478	63.1
141.07059	4.4
143.08565	19.3
145.10158	35.5
147.07983	6.3
147.11705	32.4
149.09605	9.7
151.07506	11.4
153.01842	10.8
153.05482	42.7
155.08553	5.6
157.10129	14.7
159.11708	26.5
161.13280	7.6
163.11134	4.9
165.05478	5.5
167.02121	7.7
167.03421	89.7
167.07057	11.5
169.05070	4.9
169.08546	15.6
169.09944	5.5
171.11687	12.2
173.13222	9.8
175.11208	4.2
175.14893	6.6
177.05528	8.9
179.07048	11.4
179.10632	4.9
181.04970	11.3
187.14717	4.3
191.07056	6.6
195.06569	9.6
199.14827	18.3
201.16455	4.5
213.16426	5.1
217.08557	5.9
217.15871	15.1
223.05894	5.9
233.19026	11.5
239.17903	8.5
239.42810	5.2
257.19016	23.4
275.20059	79.7
338.67319	4.5
397.23679	19.9
414.08093	5.1
415.24539	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	415.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05515	3.6
57.07067	1.1
57.99302	0.4
60.03588	0.4
61.30107	0.4
65.03956	0.4
67.05509	7.2
69.03432	0.4
69.07053	1.2
69.70702	1.6
69.71102	0.9
75.26247	0.4
79.05494	9.5
81.03413	0.5
81.07059	5.6
82.11732	0.3
83.01337	1.6
83.04975	2.4
83.08630	0.7
85.06536	0.5
89.86246	0.4
91.05479	4.5
93.07052	8.8
95.04954	0.9
95.08616	4.5
97.02898	0.6
97.10154	0.5
99.08015	0.5
103.14993	0.4
105.07015	3.3
107.08593	2.5
108.07794	0.4
109.06541	0.5
109.10158	2.1
117.07013	1.1
119.08582	2.7
121.10148	6.3
123.04424	1.1
123.11702	1.0
125.06004	1.0
125.09647	0.6
131.08571	1.6
133.10156	2.2
135.11708	2.2
137.05997	0.7
139.11128	0.4
141.05467	9.9
141.06548	0.7
145.10112	1.0
147.11678	1.0
149.13240	1.5
153.05504	2.2
159.11719	1.3
161.13327	0.6
165.01947	0.4
165.05446	0.8
167.03409	100.0
168.03746	1.2
173.13243	1.4
177.09076	0.7
179.03384	1.1
181.04903	0.8
183.06503	2.0
185.13359	0.4
191.07025	0.6
193.05009	0.4
193.08556	0.4
207.06523	0.4
215.17912	2.5
219.06558	1.6
219.10353	0.4
231.10028	0.4
233.19037	1.1
245.08281	0.7
329.17990	0.4
397.23730	8.5
397.59698	0.4
415.24747	1.2
415.32162	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	415.2477
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.03933	7.0
55.01868	5.6
55.05514	20.4
57.03426	4.8
67.05509	51.0
68.99789	4.9
69.07056	14.5
70.76229	9.6
79.05061	4.2
79.05495	51.5
81.07059	59.9
83.04964	4.3
83.08614	6.0
91.05483	55.8
93.07041	48.8
95.04984	23.5
95.08607	28.9
97.06514	7.5
97.10184	4.0
98.21140	6.2
105.07037	40.1
107.05004	3.2
107.08598	26.0
109.06490	13.8
109.10150	13.2
115.05463	4.0
117.07018	16.1
119.08572	31.9
121.06493	6.6
121.10129	21.5
123.04439	3.2
123.08059	5.8
123.11667	6.0
127.89556	3.5
129.06989	7.2
131.08580	26.3
133.06493	4.1
133.10129	24.0
135.04402	3.9
135.11697	7.5
137.05942	7.2
139.03882	10.8
141.05486	29.4
141.06473	4.1
141.07053	6.5
143.08542	7.2
145.10129	20.9
147.08061	4.3
147.11679	10.4
149.13235	5.0
151.07547	6.3
153.01822	33.7
153.05478	33.5
157.10117	7.7
159.11681	10.0
161.13271	7.7
163.03932	5.2
163.14832	5.8
165.05492	10.4
167.03421	41.5
167.07077	10.4
171.11700	9.6
173.13292	8.0
175.07539	3.6
177.05431	19.3
179.03334	19.8
179.07050	11.5
181.04910	12.8
185.13301	5.9
187.14864	5.4
189.05415	5.4
191.03377	23.5
191.07025	9.9
192.04146	8.4
193.05046	6.4
193.08545	5.8
199.14793	8.2
203.07004	6.2
205.04973	100.0
205.08560	4.4
207.06506	4.5
207.10214	4.1
209.08121	4.9
213.05441	3.3
217.04874	7.2
217.08569	4.3
217.15897	5.9
219.06506	12.9
219.10141	4.5
219.17531	5.6
231.06490	22.8
231.10085	7.7
233.11810	4.1
243.10008	4.8
245.08009	4.7
257.07913	6.5
257.18851	5.6
259.09454	5.7
273.11157	3.7
275.20041	24.5
289.88757	3.2
301.14182	3.6
317.17575	4.0
329.17490	34.7
343.19086	3.7
347.18365	8.4
355.19028	86.9
356.19391	4.1
357.20636	10.8
374.44724	3.1
379.22726	8.1
397.23718	57.9
415.25018	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	415.2479
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.03957	5.7
55.01865	5.6
55.05511	20.0
57.07070	4.5
63.24948	4.3
65.03921	6.3
67.05503	59.3
69.03424	10.6
69.07073	21.7
70.89196	7.9
71.04989	8.2
79.05496	59.9
81.07063	60.7
83.01338	5.7
83.04974	9.0
83.08607	9.9
85.06563	7.0
91.05483	82.9
93.07040	73.2
94.81429	3.6
95.04975	73.5
95.08617	58.4
95.09177	7.8
96.26328	3.7
97.02922	4.0
97.06540	6.7
97.10155	6.0
98.21277	4.9
105.07037	100.0
107.04923	5.6
107.08600	40.2
109.06525	6.7
109.10152	20.5
111.08099	4.1
117.07034	19.2
119.08581	67.6
121.06457	8.4
121.10134	25.8
123.04417	7.4
123.08076	7.6
123.11707	5.9
125.06012	5.1
128.06265	6.8
129.06995	11.9
131.08571	54.3
133.06474	4.9
133.10124	58.1
135.08046	7.5
135.11674	16.2
137.05946	14.0
137.09604	9.8
141.05484	50.3
143.08562	11.7
145.10147	42.9
147.08025	4.8
147.11699	31.2
149.09625	9.5
149.13206	5.6
151.07549	14.3
153.05452	46.9
157.10133	21.0
159.11754	25.0
161.13228	13.4
163.03877	4.2
163.11179	6.7
163.14915	4.5
165.05516	5.6
167.03406	89.0
167.07030	10.8
169.08751	4.7
171.11661	12.2
173.13283	16.6
175.14883	6.9
177.05505	8.4
177.09091	4.5
179.03485	5.2
179.07071	9.6
181.04929	15.5
182.05212	4.8
183.11696	10.0
185.13300	6.2
187.14825	5.7
189.16408	5.7
191.07080	4.9
197.13383	6.1
199.14859	20.9
207.10178	4.3
215.17990	5.3
217.15878	16.2
219.48616	4.0
229.19347	4.7
233.19112	8.6
239.17929	12.9
257.19012	27.9
275.20084	53.7
339.98175	4.7
373.31021	7.6
397.23804	22.3
415.24918	7.6
415.32346	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	415.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.3
55.05511	27.9
57.03439	5.7
63.31938	3.5
67.05505	66.3
68.99801	8.2
69.03439	4.1
69.07071	20.7
69.62467	10.4
69.62880	17.3
79.05495	100.0
81.07057	82.6
83.04987	8.7
83.08622	9.2
85.06546	6.1
87.03575	4.5
91.05469	58.0
93.07054	93.4
95.04966	18.6
95.08607	58.2
97.06540	9.8
98.20786	5.5
98.21343	8.8
104.25935	4.2
105.07036	51.1
106.26763	3.6
106.96688	4.0
107.04955	11.3
107.08607	53.5
109.06511	10.7
109.10170	26.1
111.08090	4.8
115.05499	4.9
117.07034	19.8
119.08591	56.0
121.06483	10.5
121.10153	55.2
122.24451	3.7
123.04432	4.8
123.08086	7.6
123.11727	9.3
125.05985	6.4
127.03900	6.1
129.06964	7.4
131.08563	33.6
133.10150	25.8
135.08049	6.5
135.11708	35.2
137.05997	16.8
139.03938	8.0
141.05492	16.8
143.08566	8.2
145.10165	21.2
147.08029	6.5
147.11714	15.4
149.09625	9.6
149.13257	13.9
151.03926	4.7
151.07578	9.9
153.01859	47.9
153.05496	12.2
155.07043	30.0
155.08344	5.5
157.10110	5.4
159.11679	14.3
161.13258	7.8
163.07520	6.7
163.14861	15.3
165.05540	5.1
167.03470	11.7
167.07047	17.5
169.08633	7.0
169.09990	5.9
171.11720	6.1
175.07475	4.0
177.09332	3.9
177.16382	8.2
179.03426	6.7
179.07013	4.6
179.10648	4.2
181.04990	19.5
183.11781	4.6
185.09706	5.2
187.14844	23.9
189.16380	5.2
191.07098	4.5
193.04955	49.7
193.08557	4.7
195.02919	18.5
200.31459	4.1
203.06926	6.8
205.05026	26.5
205.08511	5.9
205.15865	7.8
229.15843	7.4
255.17421	8.3
261.22214	11.8
275.20010	15.0
355.19000	23.5
397.19373	23.8
397.23831	15.9
415.20016	3.7
415.24661	26.9
415.28989	4.3
415.32336	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	415.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01877	5.5
55.05509	22.6
62.30929	3.2
64.91003	4.1
67.05504	49.9
69.03439	6.5
69.07063	11.2
69.66496	13.6
69.66904	8.6
71.04980	8.5
72.25223	3.5
79.05495	60.3
81.07058	82.5
83.01343	6.9
83.04988	5.1
83.08607	12.0
84.27254	3.9
85.06552	6.5
91.05480	75.1
93.07048	59.6
95.04969	66.2
95.08609	42.4
97.06554	6.4
97.10168	3.8
98.20905	9.3
98.21487	5.8
99.08140	4.9
105.07036	76.0
107.04963	16.9
107.08611	34.8
109.06549	6.6
109.10175	14.4
115.05522	4.3
115.53963	3.9
117.06988	23.6
119.08590	57.9
121.06499	9.2
121.10155	26.2
123.04382	5.4
123.08089	4.9
129.07001	11.5
131.08597	46.7
133.10139	57.2
135.08025	6.5
135.11723	13.9
137.05991	7.9
139.03918	5.0
141.05472	67.4
141.34232	3.4
143.08562	13.2
145.10112	50.7
147.11699	32.9
149.09613	7.3
151.07602	5.2
153.05466	43.6
157.10114	14.1
159.11731	24.5
161.13239	5.7
167.03409	100.0
167.07039	7.2
169.04941	6.3
169.08618	6.6
169.10091	5.5
171.11768	7.9
173.13255	10.4
175.07541	4.7
175.11258	3.8
175.14801	9.7
177.05504	8.6
179.07024	18.4
183.11711	10.1
187.14775	4.9
189.16365	5.4
191.07024	7.4
195.06578	6.6
197.13295	6.2
199.14798	21.9
203.34286	4.6
205.08557	6.0
215.17867	8.9
217.08647	4.9
217.15865	19.9
229.19559	4.2
231.10187	5.2
233.18982	11.0
239.17966	9.1
254.29579	3.6
257.19043	27.4
275.20078	87.0
287.23599	4.9
379.22803	5.5
397.23752	24.7
413.71143	4.1
415.24771	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	415.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.05504	15.7
57.03448	5.7
57.07060	12.5
58.07416	4.5
65.03941	5.2
65.72515	3.0
67.05506	58.2
69.03429	7.1
69.07064	13.3
71.04989	3.8
71.08632	9.7
71.13425	5.6
71.13760	3.7
72.08949	3.0
79.05496	47.2
81.07062	76.5
81.70051	3.2
83.01350	6.4
83.04987	10.8
83.08610	9.7
85.06533	4.5
85.10189	7.4
85.82909	3.2
89.06046	15.7
91.05486	55.9
93.07054	57.4
95.04966	18.3
95.08603	56.6
97.06525	7.7
97.10194	3.8
97.39342	3.0
99.04463	8.3
104.28806	3.7
105.07044	42.3
107.08595	35.5
109.06528	13.0
109.10150	19.6
116.72644	3.2
117.07040	11.1
118.41495	3.2
119.08585	49.8
121.06509	22.1
121.10148	24.4
122.06860	8.3
123.08071	10.1
123.11709	4.9
127.07568	5.4
129.06995	9.0
131.08537	26.3
133.10153	24.2
135.08069	9.4
135.11705	13.8
137.06029	8.3
137.09631	4.7
139.07620	3.8
141.05479	19.4
143.08571	6.4
145.10115	22.7
147.11682	11.8
149.06090	4.4
149.09668	9.2
151.07539	38.2
151.11128	5.1
153.05466	21.1
155.07047	13.7
155.08487	4.7
157.10149	5.6
159.11716	11.5
161.06007	4.7
161.13303	4.1
163.03917	4.5
163.07542	4.6
165.05518	3.7
165.09161	11.6
167.03392	39.1
167.04575	4.4
167.07059	14.9
169.08621	100.0
169.10088	5.9
171.11777	5.1
173.13223	7.8
175.07568	7.3
175.14845	8.9
177.05527	5.7
177.09079	4.2
179.03291	4.6
179.07060	18.7
181.04976	27.9
181.08574	4.6
185.13292	4.5
187.14845	5.5
191.07051	13.1
193.08595	11.0
195.06572	8.1
197.08109	5.5
201.16411	9.5
205.04941	5.1
205.08699	4.2
206.10716	3.4
207.10251	5.7
209.08090	17.2
213.07481	3.9
217.08708	4.4
219.17494	6.1
223.06041	9.1
223.09727	6.1
229.16011	4.7
233.08119	4.4
235.09749	5.9
239.18166	4.4
245.11673	4.6
247.13348	4.2
247.16965	4.2
261.22092	4.9
271.15503	10.4
272.15738	18.0
275.20117	15.2
333.16818	4.4
341.21185	4.4
379.22537	6.5
388.44537	3.2
397.23718	43.0
415.24646	15.4
415.32248	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	415.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
53.19480	2.1
55.05518	12.0
56.96564	3.8
57.03428	8.8
61.02914	3.3
69.03078	3.0
69.03432	44.6
69.07047	2.7
69.67086	4.2
69.67498	11.8
71.04979	3.2
73.06557	100.0
81.03404	9.0
83.04991	12.1
84.04508	3.8
85.02913	35.8
86.09688	3.8
87.04462	7.1
89.05988	3.7
91.05800	2.4
97.02902	23.7
98.20815	2.9
98.21385	7.1
98.97558	4.5
99.04463	12.7
101.06023	18.0
109.02878	9.2
117.05499	19.1
119.07048	9.5
124.03902	4.0
127.03924	21.5
135.06520	8.0
145.04938	7.8
147.04393	2.6
152.04515	4.1
152.05693	2.6
153.01845	17.2
153.07579	15.4
162.74702	2.3
170.26030	2.3
179.03436	4.1
189.05489	8.9
191.32147	2.2
199.03793	2.8
207.06648	3.5
217.04977	12.6
235.06044	2.6
246.07581	2.8
253.07167	18.2
260.05142	2.8
263.10388	4.0
355.05014	3.7
379.15878	4.0
415.11124	4.6
429.20013	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	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01868	17.2
55.05496	19.3
57.03416	7.4
57.07060	7.5
57.93052	4.1
63.08844	4.4
65.03937	11.5
67.05221	4.9
67.05511	49.6
68.99807	5.4
69.03420	19.7
69.07062	16.3
71.04992	18.3
71.56462	7.8
79.05117	5.7
79.05505	62.7
81.03422	10.5
81.07069	59.5
83.01331	11.6
83.04968	14.3
83.08598	6.7
85.06550	4.6
87.82511	4.5
91.04958	8.1
91.05484	100.0
93.07056	62.5
95.04978	80.2
95.08612	34.7
95.30402	3.9
97.06520	17.2
98.21223	5.0
99.04493	5.8
103.05443	11.0
105.06398	4.8
105.07040	66.2
107.04953	10.0
107.08615	34.1
109.06503	21.6
109.10160	10.7
111.04441	17.2
115.05455	14.2
117.07027	44.8
119.08587	50.3
121.06490	46.1
121.10131	23.4
123.08041	5.9
123.11745	10.2
125.05968	13.6
127.03931	12.7
128.06233	17.8
129.05450	6.7
129.06978	38.8
130.07750	5.9
131.08562	61.4
133.06516	10.3
133.10132	27.3
135.04456	5.2
135.08105	27.3
135.11719	7.6
137.05957	15.4
137.09599	6.3
139.03923	9.4
141.06987	13.3
143.08556	45.9
145.06454	18.1
145.10165	45.5
147.08026	19.8
147.11623	12.7
149.06044	5.3
149.09570	10.0
151.03931	6.6
151.07561	16.1
153.01820	9.6
153.04451	5.6
153.05502	52.2
153.06825	6.6
155.07240	7.2
155.08533	21.8
157.10130	28.1
159.08067	13.2
159.11746	16.5
161.05937	4.6
161.09656	18.6
161.13243	15.0
163.03894	6.4
163.07545	8.2
165.05463	11.4
165.09102	5.4
167.07076	14.2
167.08498	10.1
169.10098	17.0
171.06581	10.8
171.11678	11.8
173.09656	8.5
173.13261	8.6
175.07573	5.7
177.05492	9.9
177.09126	6.2
179.03452	8.6
179.08467	5.9
181.04939	45.3
181.10129	10.0
183.11688	15.9
185.09633	11.5
185.13293	28.7
187.11148	15.0
187.14809	8.8
189.12799	5.2
191.07042	8.4
193.08507	5.9
197.04485	11.1
197.13304	7.0
199.14745	12.6
201.12764	14.9
203.07089	8.0
203.14270	11.5
205.04909	8.3
205.08575	6.6
207.06512	9.9
209.13187	15.9
211.11160	16.5
217.08604	13.5
217.10478	5.3
225.12906	8.3
227.14343	15.4
243.13809	8.1
245.15280	6.9
251.14406	6.6
319.16971	7.9
321.14890	11.0
325.12933	5.0
331.97345	5.5
337.18127	8.7
339.15631	10.3
341.17563	6.0
355.18951	12.0
369.20502	7.6
379.18903	18.7
397.20190	35.9
415.20810	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01875	12.7
57.03439	22.7
57.07064	4.7
58.66333	1.6
59.04985	2.1
60.43836	1.7
61.02928	16.5
65.80862	1.6
69.03432	37.3
69.80837	8.6
71.01351	4.6
71.04993	2.3
73.02920	100.0
73.06551	4.2
81.03416	8.6
83.05016	3.1
85.02907	95.0
87.04451	6.9
89.06002	3.8
91.03939	4.4
97.02278	3.9
97.02895	78.0
98.21154	4.2
99.04437	5.5
103.03947	3.7
103.07604	2.7
109.02893	10.1
113.05993	5.8
115.03162	2.7
115.03943	39.4
124.03920	2.6
127.03918	35.0
131.07077	2.1
132.06544	3.5
133.04965	47.8
144.06551	2.9
145.04961	47.7
150.07614	6.8
153.01868	9.9
156.06586	2.6
162.07634	4.4
163.06012	17.1
180.08661	4.7
223.05957	5.4
238.49332	2.4
241.07190	8.9
241.09274	1.7
247.11772	2.4
250.07220	1.8
259.08145	10.1
268.49109	2.2
363.74963	2.0
373.92471	1.9
401.69922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
53.66068	1.5
55.01876	7.1
57.03441	15.4
59.05014	2.9
61.02929	14.6
61.64363	1.5
69.03439	31.2
69.03818	2.9
69.97678	1.3
70.56448	4.9
71.01364	4.4
73.02926	69.4
81.03423	5.3
85.02911	100.0
85.10181	1.9
87.04472	5.2
91.03950	4.9
92.74129	1.5
95.33125	1.5
97.02903	57.2
98.21256	2.1
99.04461	5.2
103.03960	3.2
109.02904	7.9
115.03933	25.5
125.02414	1.9
127.03937	32.9
133.04979	34.6
145.04967	50.9
150.07680	3.2
163.06027	25.5
184.02846	1.5
193.04898	2.1
199.06035	1.7
205.04970	1.8
223.06102	5.8
241.07088	5.9
259.08121	10.7
265.16321	2.5
283.05774	2.0
295.10266	1.8
390.97824	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.0
56.52019	3.0
56.96558	12.3
57.03419	3.8
61.02921	5.7
63.41985	3.0
69.03433	18.6
69.07068	6.8
70.27597	9.7
73.02904	3.9
81.03408	13.4
83.05042	3.1
85.02895	26.7
86.09705	11.1
91.05813	4.6
93.93128	2.8
97.02901	28.2
98.20704	3.2
98.21260	6.8
98.97598	24.5
101.00890	6.2
109.02885	13.3
110.02461	4.4
110.97536	5.7
113.00855	3.9
116.98641	11.0
119.01920	33.1
125.03493	4.7
127.02470	5.1
127.03911	9.3
131.01915	17.5
133.03404	3.2
136.07599	3.8
137.02942	4.5
139.02419	3.8
139.03896	7.5
143.01900	10.2
145.03458	19.4
145.04886	4.2
147.01422	3.5
150.05499	5.8
151.76607	3.7
152.04546	3.3
153.00613	1.9
153.01831	58.5
153.02985	6.1
155.01875	15.3
157.03474	13.8
158.99635	4.1
161.02937	17.9
163.04509	7.4
167.01944	5.5
169.03474	4.7
171.01402	9.6
173.02943	20.6
174.99123	2.7
175.04527	4.4
177.04138	4.1
179.02223	3.1
185.02971	31.6
187.81285	3.4
189.00739	3.6
192.99962	3.5
197.03000	7.4
197.17784	3.5
199.04562	4.3
203.04033	12.4
205.03612	3.4
209.03026	6.0
211.00912	50.6
211.10635	3.6
219.01721	12.3
221.03230	6.3
221.05107	18.3
223.04729	7.5
227.04085	8.2
229.01942	20.8
231.02731	6.7
232.98216	4.0
235.00943	9.5
237.02878	14.3
239.03987	4.0
241.01617	4.2
245.02820	5.5
245.05095	48.0
247.00868	4.5
247.03027	21.1
253.01917	22.6
253.08252	7.9
255.03983	3.5
259.02448	8.4
263.03815	5.1
263.06186	11.9
265.01932	8.1
271.03043	17.6
273.04562	6.1
276.07925	3.2
277.03503	23.9
278.03845	4.1
279.03592	8.8
285.04608	5.1
295.03098	7.2
297.04648	7.6
303.01306	26.7
305.05859	3.3
307.03012	20.1
311.06122	15.1
313.04019	8.5
314.98782	5.3
325.03769	5.0
337.04013	13.3
355.05078	100.0
373.06119	74.9
379.01407	5.5
396.07858	6.0
415.08810	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	413.2687
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03932	7.3
54.99178	2.0
55.05303	1.8
55.05518	17.1
57.03444	4.0
57.07057	4.6
67.05164	3.5
67.05505	48.5
69.03423	8.1
69.07069	19.8
69.38180	12.3
69.38593	4.7
71.04989	4.0
71.08624	2.3
79.05059	4.0
79.05492	52.2
81.03411	7.4
81.07056	56.6
81.37582	2.4
83.01339	12.2
83.04974	6.9
83.08619	10.6
85.02882	7.2
91.05479	40.2
93.06465	3.4
93.07043	63.1
95.04951	8.0
95.08044	3.6
95.08611	46.4
97.02892	5.0
97.06550	5.6
98.20787	4.1
98.21445	4.7
99.04441	4.9
101.02429	2.2
102.36976	1.9
105.07036	35.4
105.91631	2.0
107.04939	3.8
107.08595	49.0
109.02847	2.3
109.06494	3.6
109.10147	22.7
111.04442	3.3
117.06976	10.3
117.47035	2.1
119.08577	33.3
121.06497	4.0
121.10155	33.8
123.04431	2.1
123.08085	2.9
123.11723	9.9
125.06012	2.7
127.03928	3.5
129.05534	3.1
129.07016	4.6
131.08566	15.8
133.06526	3.2
133.10121	34.0
135.08124	3.1
135.11693	33.7
137.05966	8.6
137.13269	2.9
139.07578	2.6
141.94685	1.9
143.08583	4.6
145.10059	10.9
147.08066	2.7
147.11707	20.7
149.13258	25.8
151.07553	20.3
153.05449	6.3
155.07042	21.5
156.77101	2.5
157.10136	6.1
159.08084	2.6
159.11670	16.7
161.13246	17.5
163.07512	2.6
163.14798	8.5
165.05435	3.9
165.09058	3.6
167.03455	2.4
167.07043	41.4
171.11687	7.9
173.13300	10.4
173.14561	2.1
175.07591	5.5
175.11142	3.2
175.14868	11.8
177.09055	2.4
177.12827	3.3
177.16368	5.9
179.07138	3.2
181.04959	90.5
181.08507	2.7
182.05365	3.0
183.06522	3.9
185.13229	5.1
187.14806	2.7
191.07170	2.5
191.18005	3.3
193.08627	13.3
195.13834	5.4
197.13367	2.6
197.40909	2.0
199.11261	2.0
199.14778	3.8
205.08630	2.5
205.19501	2.5
209.08130	5.9
215.17938	7.4
217.15800	2.3
217.19490	5.3
219.10197	2.5
221.11604	3.0
231.10161	8.6
231.21117	6.0
233.11702	3.0
241.19539	21.2
243.10211	3.1
245.11482	2.0
247.09508	2.0
259.20593	65.4
261.11264	4.9
264.53888	2.0
293.45828	2.2
353.24738	2.4
371.26050	3.1
395.25885	14.4
395.33118	3.5
413.21786	11.6
413.26834	100.0
413.33444	12.5
414.27240	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	413.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.8
59.77042	7.1
67.05500	30.7
69.03434	10.5
69.07071	44.4
69.34168	16.3
69.34573	52.0
70.05200	7.8
76.47781	6.5
79.05495	24.3
81.03415	10.7
81.07066	47.7
83.08623	18.0
91.05481	9.2
93.07050	40.5
95.08617	100.0
97.06538	26.9
98.20766	13.6
98.21417	16.6
105.07044	12.5
107.08599	42.7
109.10162	72.4
111.11749	11.8
117.92175	6.3
119.08592	21.9
119.96122	5.9
121.10165	52.7
123.11713	21.6
124.53035	8.4
125.06002	84.2
133.10127	13.7
135.11691	31.1
147.11748	11.7
149.13286	20.6
161.13309	12.8
163.14839	27.9
175.14813	12.1
177.16362	18.1
191.17947	22.2
203.17867	13.1
205.19545	26.6
253.95059	6.7
317.24802	13.5
413.21979	10.2
413.26767	8.9
413.34073	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.59900	2.1
55.05514	15.8
57.03421	8.3
59.04994	6.2
61.02922	4.3
61.30748	1.9
62.52959	1.8
68.10252	1.9
69.03426	20.1
70.06567	6.3
71.05002	11.0
71.56956	2.6
73.02907	8.5
73.06560	100.0
75.92139	1.9
81.03422	19.4
83.04980	16.5
84.68837	1.8
85.02908	44.7
97.02902	59.1
98.21109	2.9
99.04465	33.0
101.06017	19.0
106.02927	3.9
108.43827	2.0
109.02898	15.6
110.71689	1.8
113.02393	2.7
117.05500	66.0
119.07059	9.6
120.05595	3.8
121.29362	1.9
123.04460	2.6
124.03986	10.1
127.03922	34.0
128.02237	2.0
129.05374	2.2
136.07631	2.4
138.05473	3.3
145.04977	27.7
153.01833	5.4
154.08591	2.2
163.03914	2.9
163.06017	5.7
173.07806	1.8
178.08763	2.2
178.32932	2.0
199.09702	13.9
225.07721	2.1
235.11882	3.2
243.08632	3.0
245.10229	19.2
252.12259	8.6
261.09714	9.4
263.11157	2.9
268.08032	4.5
315.65509	2.2
328.16245	2.0
343.13940	2.8
370.02884	2.3
378.23267	2.7
414.01703	6.2
414.10883	7.9
415.44717	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	413.2686
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03949	2.6
53.38802	1.5
54.15985	1.4
55.01881	2.0
55.05508	6.5
66.75165	1.4
67.05511	15.8
69.07055	5.8
69.49213	6.0
69.49641	5.7
79.05499	24.7
81.07064	24.3
83.01357	2.6
83.08607	4.0
90.66177	1.6
91.05489	20.9
93.07053	33.3
95.04955	2.9
95.08611	18.0
97.06528	1.7
97.10132	1.9
105.06380	2.7
105.07034	38.6
107.04990	2.4
107.07941	2.5
107.08598	22.7
109.06533	3.2
109.10165	5.6
111.27596	1.5
117.07041	8.6
119.08582	12.5
121.06480	2.5
121.10150	19.3
123.08144	2.1
129.07019	4.6
131.08580	10.7
133.10138	48.4
135.11707	23.4
137.05977	5.3
139.07527	6.7
139.11206	1.7
139.89442	1.5
143.08566	2.5
145.10126	5.6
147.08049	7.2
147.11702	13.8
149.13260	19.0
151.07558	13.9
153.05516	2.9
155.07043	16.3
157.10219	2.0
159.11714	25.5
161.13242	8.1
163.11099	2.1
163.14769	3.6
165.09096	4.1
167.05640	2.9
167.07048	53.8
168.07372	1.6
171.11671	5.3
173.13257	15.2
175.07576	7.0
175.14865	7.0
179.06973	1.6
181.04968	100.0
183.06551	13.2
185.13306	4.9
187.14847	2.0
191.07025	3.8
193.08611	8.5
197.08253	1.6
199.14854	4.0
209.08057	3.2
215.17950	5.3
221.11734	1.9
231.16318	1.5
231.21092	1.7
241.19490	12.8
244.50787	1.8
259.20618	47.9
395.25873	5.3
413.26898	78.2
414.27161	3.4
430.61414	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05505	5.7
65.03955	2.1
67.05507	26.1
69.07072	3.9
70.03055	5.9
79.05496	36.7
81.07062	26.1
83.01316	1.7
83.08630	2.2
91.05487	23.4
93.07051	56.1
95.04990	2.2
95.08607	18.2
98.20977	5.1
105.07030	17.4
107.08595	31.3
109.06506	3.0
109.10142	9.2
117.07064	2.6
119.08559	14.1
121.10156	24.6
129.07030	2.6
131.08549	7.1
133.10146	14.9
135.11703	26.1
137.06021	3.3
145.10124	6.0
147.11697	11.5
148.69569	1.8
149.13278	15.0
151.07553	2.4
153.05539	2.2
155.07021	16.1
157.10071	2.0
159.11711	8.2
161.13232	13.1
163.14850	7.7
167.07045	27.8
171.11725	5.3
173.13266	4.4
175.07552	2.9
175.14857	7.2
181.04973	100.0
181.08464	3.6
185.13322	5.1
186.23077	1.8
193.08618	7.5
199.14796	3.3
207.10358	1.8
209.08092	4.7
215.17949	9.5
217.19437	3.5
219.10129	2.8
223.09660	2.5
231.10445	3.4
231.21156	6.6
233.84677	2.0
241.19519	14.3
243.12665	1.9
259.20590	63.7
345.04245	1.9
395.25766	10.0
413.26825	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.8
55.01862	2.3
55.05518	3.7
57.07083	1.7
59.37918	1.5
65.03923	2.6
67.05508	21.9
69.07076	7.2
69.70755	10.0
79.05495	36.3
81.07060	27.7
83.01361	2.6
91.05486	26.0
93.07051	52.5
93.30951	1.4
95.04982	4.3
95.08609	22.7
97.06542	3.3
98.21388	3.2
105.07040	28.0
107.04984	2.1
107.08588	31.9
109.06502	2.3
109.10170	5.5
117.07049	8.8
118.25256	1.5
119.08573	17.0
121.06520	1.9
121.10160	22.0
123.08079	2.8
123.11745	4.0
125.06009	2.5
129.06992	3.0
131.08551	9.1
133.10130	34.9
133.11084	3.0
135.11688	24.3
137.05984	4.6
139.07565	3.3
143.08508	2.6
145.10149	7.7
147.08116	4.0
147.11707	17.4
149.13268	21.2
151.07571	8.7
153.05437	2.1
155.07056	15.1
157.10153	3.0
159.11707	17.3
161.13281	12.1
163.07674	1.5
163.14864	5.7
165.09193	2.1
167.07051	38.7
169.08691	1.9
171.11723	4.3
173.13304	8.2
175.07573	5.1
175.14851	6.9
181.04974	100.0
181.08533	3.2
182.05373	2.2
183.06557	9.6
185.13307	5.1
191.07072	3.6
193.08707	8.4
199.14938	3.0
205.08676	1.6
209.08083	4.4
215.17967	10.6
217.19487	3.7
219.10223	2.3
221.11792	1.7
231.21132	3.8
241.19548	12.5
251.12939	1.5
256.69205	1.7
259.20575	52.9
334.49860	1.5
395.26147	7.1
413.26901	49.7
414.27026	2.3
426.87402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2685
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03933	4.4
55.01871	1.5
55.05503	6.4
57.07063	1.3
59.12359	1.2
65.03936	1.9
67.05507	25.5
69.07059	6.1
75.43533	1.6
77.14674	1.4
79.05491	42.6
81.07055	33.4
83.01306	2.3
83.08613	3.3
83.10926	1.2
91.05482	22.3
93.07044	61.5
95.04966	4.2
95.08609	16.8
97.06525	2.5
97.10163	1.4
98.20724	4.2
98.21443	5.9
105.07030	22.3
107.04949	1.4
107.08596	33.1
107.24335	1.6
109.06542	1.8
109.10159	7.4
117.07005	4.8
119.08577	15.4
121.06603	1.4
121.10151	24.9
123.11711	1.6
125.05892	2.3
129.07002	2.0
131.08534	7.1
133.10130	19.6
135.11702	30.5
137.05978	3.0
137.13245	1.5
139.07474	2.2
143.08598	2.3
145.10110	7.7
147.07965	1.9
147.11696	12.1
149.13251	21.4
151.07530	2.1
153.05325	2.1
155.07036	16.0
159.11713	7.6
161.13216	11.0
163.14798	4.8
165.09094	2.7
167.07043	31.3
171.11702	3.4
173.13220	4.0
175.07530	2.3
175.14825	9.5
175.57187	1.5
181.04956	100.0
181.08449	3.0
183.06552	3.7
185.13281	4.3
187.14793	1.4
191.07062	2.6
193.08617	7.1
199.14798	2.0
209.08052	4.9
215.17941	7.9
217.19446	3.3
219.10205	1.7
221.11748	3.8
223.09531	2.9
231.10182	1.7
231.20912	2.0
241.19489	13.1
245.11920	1.7
259.20575	63.3
395.25964	6.6
413.21976	1.1
413.26868	29.1
414.27365	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	413.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
67.05513	9.1
69.03432	2.0
69.07063	4.1
69.36875	3.8
69.37303	4.0
79.05500	14.6
81.03426	2.6
81.07054	11.9
83.01345	1.5
83.04985	1.1
83.08628	2.2
88.67168	0.8
91.05484	13.1
93.07039	17.3
95.04955	2.5
95.08613	7.8
97.06550	1.0
97.10181	1.4
98.21111	4.4
99.86127	0.8
105.07037	16.1
105.07705	0.6
107.04965	1.1
107.08604	10.7
109.06531	3.4
109.10165	3.1
111.04443	1.2
115.51521	1.0
117.07013	3.9
119.08586	8.7
121.06493	1.6
121.10149	7.9
122.51287	0.8
123.04425	1.8
123.08040	1.0
123.11713	1.7
128.06235	1.5
129.07001	2.8
131.08562	7.6
133.06461	1.0
133.10130	12.7
134.52460	1.0
135.11697	7.7
137.05994	4.3
139.03894	1.5
141.05476	8.5
143.08568	3.7
145.10132	7.1
147.08084	1.3
147.11665	7.0
149.13304	2.6
151.07556	2.4
153.05470	2.7
155.07051	6.2
157.10193	2.5
159.11717	4.8
161.05986	1.3
161.09583	1.2
161.13289	3.6
163.14839	1.9
165.01843	1.7
165.05527	1.9
165.09106	1.4
167.03412	100.0
167.07051	10.5
168.03728	1.6
171.11729	2.7
173.13306	1.6
177.05452	2.1
179.03391	1.4
179.07109	1.4
181.04961	7.4
183.02908	1.4
183.06580	2.1
185.13329	2.0
187.11250	1.2
187.14830	2.5
189.16418	1.6
191.03447	1.5
191.07158	1.8
193.04926	1.6
193.08727	1.9
203.18066	1.7
207.06454	1.5
213.16402	7.0
219.06508	4.0
227.18018	1.3
229.19473	1.5
231.10231	1.0
231.17497	3.6
241.19514	1.1
245.08145	1.7
247.09624	1.0
255.17340	1.2
259.09784	1.5
259.20737	4.4
273.18646	2.2
329.17682	1.2
355.19452	1.1
376.52991	0.9
377.21121	3.1
395.22125	37.0
396.22781	1.4
413.13657	2.1
413.22867	6.4
413.27658	7.2
413.34470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2326
Annotation	Pallidone J
Peak:m/z	Relative Intensity
53.03943	10.9
55.01860	11.1
55.05519	25.4
57.03422	13.5
57.07072	3.6
65.03928	7.8
67.05508	66.6
69.03438	31.5
69.07070	17.2
71.04990	7.6
79.05495	59.7
81.03419	30.4
81.07058	75.3
83.01334	11.9
83.05000	20.8
83.08606	9.9
85.02901	8.5
91.05486	69.1
93.07048	62.2
95.04989	28.2
95.08609	38.3
97.02878	16.4
97.06517	9.2
98.21127	22.3
99.04436	4.3
103.05483	4.2
105.07040	54.5
107.04937	12.7
107.08592	32.0
109.02910	4.3
109.06537	8.8
109.10163	6.2
111.08073	4.3
115.05477	4.3
116.06315	3.7
117.07019	27.3
119.04927	4.8
119.08585	38.7
121.06496	16.6
121.10151	16.3
123.04448	4.8
123.08076	8.5
123.11742	5.6
125.05975	4.7
127.03931	7.2
128.06216	6.2
129.07014	16.1
130.07747	4.7
131.08580	37.6
133.06499	11.0
133.10146	22.1
135.08061	12.8
135.11705	15.3
137.05977	10.6
141.05470	30.0
141.06903	5.4
142.07825	3.9
143.08559	18.8
145.06514	4.7
145.10126	30.1
147.08070	11.0
147.11659	8.8
149.09599	10.6
149.13237	16.3
150.31906	3.7
151.07535	6.0
153.05476	38.2
155.08537	6.7
157.10109	11.8
159.08015	5.3
159.11700	17.3
161.05977	4.7
161.09619	8.9
161.13271	7.4
163.11176	3.7
165.05455	8.9
167.03410	65.4
167.07039	11.8
169.10162	4.3
171.08073	4.4
171.11673	8.6
173.13252	4.9
175.07545	5.3
177.05498	16.3
177.12755	6.5
179.03386	7.3
179.06995	10.8
181.05009	8.6
185.09615	4.7
185.13271	5.8
189.05460	4.5
189.12729	5.1
191.03380	8.6
191.07045	13.4
193.04932	3.4
195.11876	3.8
195.13820	7.0
199.11050	3.1
203.07028	5.5
205.04950	10.8
205.08698	7.7
215.07083	7.8
215.14337	3.9
217.04948	5.6
217.08600	8.9
217.15970	4.2
219.06548	3.5
219.10092	6.9
226.09784	4.2
228.07823	3.8
229.08580	6.1
231.06563	6.9
231.10124	7.4
231.17523	6.1
241.08574	6.7
243.10071	10.6
245.08087	3.9
255.17494	5.2
257.08072	7.1
257.11920	3.9
269.11545	6.0
273.18500	34.0
283.13135	3.8
355.18930	8.8
369.20670	16.4
377.20914	9.6
389.66666	3.5
395.17825	5.7
395.22281	74.0
413.23141	100.0
414.23520	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	413.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
64.24387	0.2
67.05477	0.3
68.99788	0.4
69.03419	0.6
70.06559	0.5
71.04991	0.3
71.55946	0.3
71.56316	0.3
73.06557	0.3
79.05467	0.4
81.03418	0.8
81.07051	0.3
83.04949	0.2
85.02909	1.1
91.05474	0.4
95.04948	0.4
97.02872	0.9
99.04488	0.4
101.06007	0.2
105.07028	0.6
107.08590	0.3
109.02859	0.6
112.07646	0.3
119.08573	0.4
121.02859	0.8
121.06507	0.3
124.07572	0.3
127.03907	0.8
137.05981	0.2
139.03900	0.6
140.07086	0.3
145.02850	0.2
147.04404	0.5
149.06009	0.7
153.01837	6.4
163.03914	0.7
173.77774	0.2
177.05472	4.9
177.08994	0.2
192.04161	5.1
194.11214	0.2
203.21486	0.2
205.04961	22.8
206.05278	0.6
229.12166	0.2
233.04448	0.6
233.13083	0.2
233.15370	0.5
251.05510	100.0
252.05823	2.0
378.92700	0.3
413.08392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
53.56765	2.2
55.01864	3.5
55.05508	15.2
57.03453	3.7
59.06498	2.2
61.02893	4.7
67.05501	13.4
69.03417	7.9
69.07069	39.4
71.04993	12.9
71.14384	5.4
71.14837	2.4
73.06170	3.5
73.06561	63.1
79.05495	100.0
81.03417	7.1
83.04970	8.7
85.02917	17.4
85.06547	5.3
95.04948	3.1
97.02891	24.0
97.06539	44.8
99.04462	2.6
101.06008	9.6
102.94862	2.4
109.02853	6.1
115.07566	40.7
115.36166	2.4
119.07059	8.0
127.03881	10.8
133.08598	64.5
145.04979	7.2
151.09659	76.4
153.01816	6.3
176.54102	3.0
193.97868	2.3
203.76010	2.5
205.82745	2.6
245.09949	2.8
284.35989	2.4
366.41605	2.5
413.01724	3.4
429.40848	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	413.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67067	1.8
53.03952	3.7
55.01872	4.3
55.05527	10.1
55.05741	2.1
56.03298	1.8
57.03437	3.5
59.04992	1.8
63.73280	1.9
67.05508	13.9
69.03424	9.7
69.07071	34.3
69.90123	3.2
69.90536	6.5
71.04991	12.6
73.02898	2.1
73.06164	3.2
73.06562	59.7
74.02445	1.8
79.05496	100.0
81.03432	5.4
83.04975	7.7
85.02912	22.5
87.04455	2.1
92.21404	2.1
95.04977	5.5
97.02889	19.6
97.06534	46.8
98.20766	3.7
98.21432	3.8
99.04429	3.1
101.06046	11.4
109.02878	6.1
115.07572	37.7
119.07070	5.3
127.03925	17.6
133.08606	57.9
139.42712	2.3
139.73166	2.2
145.04953	4.7
151.09666	76.9
153.01833	6.1
160.09807	1.9
227.03394	2.3
251.05637	3.9
369.99286	2.2
373.06863	2.1
385.80063	2.3
413.01010	13.1
413.10098	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	413.2324
Annotation	Pallidone J
Peak:m/z	Relative Intensity
52.80764	1.3
53.03933	2.7
53.57120	1.5
54.59530	1.5
55.01870	1.7
55.05518	9.1
57.07073	3.5
61.94982	1.4
65.03937	2.2
67.05505	18.7
69.03405	1.8
69.07075	9.2
69.24224	1.5
71.57065	2.0
79.05494	20.2
81.03400	1.8
81.07063	33.2
83.01344	2.2
83.04982	3.5
83.08604	4.2
91.05481	20.9
93.07046	28.5
95.04957	4.4
95.08060	2.9
95.08616	34.7
97.06524	2.1
97.10160	3.0
98.20851	1.7
98.21434	1.6
105.07034	22.3
107.08602	22.5
109.06500	4.5
109.10143	12.8
111.04440	2.2
111.08076	1.8
117.06991	5.0
119.08578	20.1
121.06454	2.0
121.10147	19.8
123.04427	1.8
123.08054	2.8
123.11704	6.7
129.07021	3.0
131.08560	9.5
133.10135	18.8
135.08090	2.1
135.11717	11.7
137.05965	3.1
137.13206	2.7
139.75276	1.6
141.05481	9.6
143.08531	4.3
145.10139	10.5
147.08031	1.7
147.11681	12.8
149.13232	5.4
151.07507	3.1
153.05513	3.9
157.10106	3.8
159.11717	3.8
161.13258	11.2
163.03929	1.9
163.11194	2.0
163.14896	7.6
165.05490	5.5
167.03406	100.0
167.07043	2.7
167.10725	1.7
168.03680	1.7
169.08542	1.9
169.10019	1.9
171.11691	6.3
173.13266	2.3
175.07567	1.7
175.14796	4.8
177.05437	6.0
177.16385	4.5
179.07071	1.9
179.14369	2.3
181.04939	4.9
187.14806	6.2
189.16393	7.5
191.03424	14.4
191.07083	2.3
191.17914	3.6
193.04785	1.8
203.17941	9.2
205.15932	2.6
207.06516	2.8
213.16331	9.7
217.19516	5.9
219.06567	6.3
223.16946	3.9
229.19473	2.5
231.17429	4.5
231.21080	5.4
245.08110	3.2
247.09448	2.3
255.17456	1.8
273.18439	3.0
285.22299	2.3
351.19745	1.7
369.20496	5.2
377.21100	4.9
395.22113	39.8
413.22443	8.6
413.34521	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
54.29581	1.0
55.01862	1.2
55.05514	13.0
57.03423	3.1
61.02916	2.1
69.03432	14.2
71.04993	1.2
71.57104	1.3
73.02914	2.3
73.06558	100.0
79.60110	0.8
80.58680	1.0
81.03418	8.7
83.04987	10.3
84.57536	0.8
85.02429	2.0
85.02910	29.4
91.07572	1.3
97.02899	45.6
99.04462	4.3
101.06016	10.0
108.04495	1.2
109.02898	8.4
119.07076	13.4
127.03923	27.8
145.04968	21.5
155.79047	0.9
163.06006	3.7
199.09721	7.1
232.93272	0.9
235.11821	2.0
245.10249	14.1
263.11234	3.1
337.34802	1.0
342.49203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70361	1.2
53.03939	1.9
55.01873	8.1
55.05502	2.4
57.03436	19.2
57.07072	11.3
59.04998	1.8
61.02932	16.2
69.03082	2.2
69.03431	34.3
69.79331	6.7
71.01344	4.0
71.05001	8.2
73.02916	80.5
77.27359	1.3
79.05530	1.3
81.03435	9.2
83.04973	1.8
83.08615	3.6
85.02905	100.0
85.06532	2.5
87.04459	4.5
91.03933	3.5
91.05437	1.4
93.07010	1.6
95.04954	1.8
95.08600	2.0
97.02893	59.4
98.20659	1.6
98.21288	3.7
99.04440	6.0
103.03911	3.1
109.02878	10.8
111.08070	3.0
113.09641	1.5
115.03927	25.9
123.08118	1.6
127.03922	34.4
129.09015	1.4
133.04980	31.9
139.07553	2.7
141.09123	2.0
145.04959	46.2
150.07608	4.1
163.06003	20.0
166.08611	1.6
169.04948	1.3
193.04955	2.5
197.11784	2.6
199.06065	1.9
209.11699	1.5
215.12762	2.9
217.07008	1.5
223.05989	4.7
227.12737	2.9
229.10701	6.3
232.64220	1.3
241.07086	8.3
245.13820	1.5
247.11790	6.2
259.08163	7.5
263.14896	4.0
267.22333	1.3
277.09119	1.6
295.10181	2.0
344.08664	1.3
412.20490	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21270	2.0
55.01861	4.4
55.05497	4.2
57.03435	23.8
59.04998	5.1
60.04527	2.5
61.02930	5.0
62.59433	2.2
67.05502	4.1
68.74659	1.9
69.03430	84.3
70.03448	6.9
70.03851	4.9
71.04975	4.3
73.02900	7.3
75.04472	2.6
80.87423	2.1
81.03415	12.8
81.07047	2.6
83.08622	3.6
85.02908	99.1
85.06548	2.7
87.04471	61.1
91.03965	2.3
97.02894	66.2
98.20858	4.2
98.21475	4.1
99.04443	3.2
99.08081	2.3
103.03953	2.5
107.08587	2.5
109.02868	5.6
111.08060	3.2
115.03936	90.1
115.04745	4.4
121.10165	2.3
127.03928	15.8
132.04442	6.6
133.04967	89.4
141.09091	4.1
145.04973	28.3
150.07590	12.1
163.06036	10.4
167.10637	4.6
169.04951	2.7
173.14456	2.7
178.03409	4.9
178.04994	100.0
214.18851	4.0
232.13255	2.3
232.19887	3.0
241.07132	3.7
253.40573	2.4
259.08084	3.3
263.14813	2.4
277.09229	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.3
55.20421	1.9
55.52827	2.3
57.03176	2.6
57.03436	17.9
61.02922	13.2
69.03432	36.2
71.01334	3.8
71.05007	2.3
71.56149	2.8
73.02917	69.9
81.03412	6.1
85.02902	100.0
87.04453	6.6
88.39664	2.0
91.03938	5.8
97.02888	62.8
97.79665	1.8
99.04431	4.5
103.03925	2.5
109.02883	9.7
115.03938	29.0
127.03904	36.1
130.01518	2.1
133.04976	36.3
145.04955	61.8
163.06021	30.2
178.04976	5.1
193.04913	2.5
223.05997	5.7
241.07092	6.5
259.08063	12.2
263.14896	7.9
295.10168	3.5
401.08725	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	412.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46899	1.7
53.03942	5.9
55.01853	2.1
55.05518	13.7
57.03434	3.5
57.07064	2.3
61.02927	4.7
67.05497	2.1
67.38504	1.9
69.03439	19.3
69.07063	2.8
70.06576	2.2
71.04988	4.3
71.57479	2.4
71.57919	3.1
73.06557	100.0
79.05466	2.1
79.19849	1.9
81.03430	9.6
82.21854	1.8
82.78400	1.8
83.04996	12.9
85.02908	46.8
87.04452	3.1
91.07577	3.1
97.02899	54.2
98.21069	2.3
99.04445	4.5
101.06021	13.3
107.47379	2.3
109.02882	13.3
115.03886	2.4
117.20847	1.8
119.07050	15.9
122.06010	3.2
123.04398	2.5
127.03939	34.7
129.08876	2.0
132.04459	3.3
133.04980	10.6
145.04953	28.4
163.06021	5.9
177.05476	3.7
178.05002	76.1
193.05200	2.1
194.28978	1.9
199.09659	10.2
245.10225	12.3
247.11858	7.0
250.10696	2.6
260.09201	4.9
263.11185	3.3
295.10291	2.5
299.54077	2.1
412.16580	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.05268	0.9
55.05515	14.2
55.40422	0.9
57.03436	2.9
61.02920	3.4
63.34391	0.9
68.02834	0.9
69.03437	15.5
71.04985	4.3
71.17496	1.3
71.17847	1.6
73.02921	2.1
73.06558	100.0
80.63190	0.9
81.03028	1.0
81.03429	9.5
83.04984	13.4
85.02908	35.6
89.21031	1.2
92.57205	0.9
97.02895	51.8
98.21356	1.2
99.04452	4.0
101.06022	11.6
109.02894	9.7
115.03954	1.4
119.07059	14.0
127.03925	36.9
133.04965	6.2
143.03441	1.0
145.04964	29.0
163.06038	4.4
174.64122	0.9
199.09627	13.2
234.71646	0.9
235.11809	4.2
245.10210	19.2
245.12567	1.5
263.11340	5.0
352.58902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05517	11.7
57.03437	2.1
61.02921	2.1
69.03069	1.2
69.03431	13.8
69.54392	4.3
71.04995	2.3
73.02925	1.9
73.06560	100.0
81.03423	9.8
83.04987	12.1
85.02912	30.0
91.03934	1.0
91.07603	2.5
94.58715	0.8
97.02901	45.8
98.20833	1.2
98.21457	1.2
99.04478	3.9
101.06021	10.3
109.02885	9.7
119.06303	1.4
119.07071	18.2
127.03925	34.7
133.04991	6.3
145.04964	27.4
163.06021	3.9
182.45030	0.7
199.09654	14.2
227.09117	1.7
235.11801	3.5
245.10242	19.4
263.11288	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	411.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
55.01872	34.5
55.05521	22.5
57.06871	3.1
57.07080	32.2
67.05505	38.6
67.13765	3.1
69.07067	30.3
71.04993	30.6
71.08627	4.9
73.06541	7.4
79.05486	28.7
81.03436	3.5
81.06570	5.6
81.07053	80.9
81.88927	3.4
83.04986	23.3
83.08614	17.4
85.06541	16.4
91.05487	24.7
93.07040	40.8
95.04948	5.1
95.08046	5.6
95.08611	81.6
95.17980	2.8
97.02890	50.2
97.06530	4.1
97.10169	8.8
99.04449	6.0
105.07030	38.5
107.05015	4.5
107.08593	37.8
109.06499	10.7
109.10159	40.8
111.08080	4.3
111.11688	7.3
113.09674	3.4
115.03937	75.4
117.07012	12.3
119.08572	24.8
121.06522	5.3
121.10141	30.7
123.08025	3.5
123.11703	24.2
125.06007	4.0
125.09634	5.3
131.08583	25.3
133.10138	25.1
135.11707	25.2
137.05960	4.1
137.13222	14.5
139.07536	9.8
139.11185	6.5
143.08531	8.0
145.10159	20.6
147.11671	17.2
149.13260	14.2
151.14824	8.9
155.07051	37.3
157.10129	4.3
159.11658	17.2
161.13255	12.2
163.14848	9.6
165.09137	8.2
167.07076	15.4
167.10736	3.8
171.11745	5.2
173.13278	10.5
175.14839	8.9
177.05547	3.9
177.16365	8.7
181.04958	100.0
189.12776	3.3
189.16368	6.8
191.06996	4.9
193.08690	5.4
199.14737	5.0
205.08522	4.4
213.16486	5.3
215.18066	21.9
217.19708	3.7
220.07314	7.4
229.19463	5.5
233.08170	16.9
239.18106	4.0
257.18961	22.1
261.11377	3.7
261.25714	5.7
277.21463	5.3
279.26791	21.5
291.23126	13.0
319.22809	7.9
331.30121	3.8
331.63522	3.9
347.29831	3.3
349.30954	8.1
357.27832	3.8
375.28918	36.5
393.24652	5.9
393.30295	12.5
411.12289	10.0
411.20270	6.7
411.25250	90.4
411.32581	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	411.3625
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.35923	2.0
52.47671	1.9
55.05508	4.7
56.60788	1.9
67.05505	7.9
69.07082	9.7
71.08646	2.1
71.18998	2.9
79.05499	5.7
81.07063	31.7
83.08625	5.5
86.23228	1.6
91.05488	6.3
93.07059	16.0
95.08612	37.8
97.06502	1.9
97.10172	4.4
98.21083	2.0
105.07036	13.8
107.08607	27.9
109.06540	1.9
109.10162	18.3
115.26789	1.8
119.08600	13.5
121.10139	18.6
123.11699	9.6
131.08578	4.9
133.10159	12.9
135.11696	17.4
145.10123	5.9
147.11676	6.8
149.13298	9.2
159.11687	5.2
160.09035	2.0
161.13327	6.5
163.14838	9.9
167.07051	2.5
173.13298	5.4
175.14865	6.9
177.16406	31.6
181.04922	4.6
185.13254	2.5
187.14896	3.5
189.16394	7.8
191.17999	3.5
201.16373	3.7
203.18004	7.9
212.69757	1.9
213.78516	1.9
215.18007	4.7
217.19576	5.6
229.19598	3.7
231.21153	5.3
243.21092	3.8
245.22818	2.8
247.20676	8.4
257.19016	2.8
257.22778	2.3
269.22653	3.0
306.32190	1.9
343.18829	2.8
393.35300	14.3
411.25302	6.4
411.36258	100.0
431.73004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.09901	5.7
55.05510	15.4
57.07058	7.6
61.31363	4.6
65.62679	4.3
67.05511	31.5
68.03752	5.0
69.07074	37.6
71.58012	6.2
79.05498	21.5
81.07066	76.4
83.08608	13.1
91.05489	22.9
93.07053	56.2
95.04949	6.0
95.08613	91.8
98.92469	4.7
105.07040	32.9
107.08585	76.4
107.53061	4.7
109.10156	58.8
112.92671	4.2
117.07021	7.0
119.08581	44.3
121.10146	75.0
123.11721	32.4
125.13266	7.0
130.54788	4.4
131.08557	13.2
133.10144	35.2
135.11703	61.5
137.13286	10.5
144.34753	4.8
145.10158	21.3
147.11723	31.5
149.13268	28.1
151.07555	8.6
157.10161	8.9
157.52150	4.3
159.11661	19.2
161.13263	19.4
163.14787	31.7
170.29762	5.1
171.11710	5.4
173.13246	17.5
175.14873	20.0
177.16367	20.2
181.04956	7.8
187.14816	16.1
189.16335	11.3
191.17926	12.5
199.14920	7.9
201.16360	10.9
203.17984	9.1
213.16479	6.9
215.17928	12.7
217.19493	12.1
229.19556	11.7
231.21089	14.8
243.21127	17.2
245.22665	20.0
255.21115	12.6
257.22592	22.3
259.24222	6.3
269.22675	8.1
271.24200	10.9
287.23724	6.4
344.42035	4.7
393.35165	49.6
411.25912	7.0
411.31473	5.4
411.36313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01866	8.1
55.05510	71.3
57.03439	17.4
57.07071	3.5
65.03927	4.2
67.05503	75.7
68.05856	2.4
69.03425	7.3
69.07063	32.8
71.04981	6.8
71.57480	2.3
79.05490	82.3
81.03413	8.8
81.07056	100.0
82.50770	2.5
83.04979	12.2
83.08617	39.3
85.02891	2.5
85.06546	6.6
91.05476	31.2
93.07041	57.8
95.04972	11.9
95.08618	29.1
97.02902	1.9
97.06516	10.1
97.10169	43.5
99.08086	3.0
104.97763	2.2
105.07014	19.4
107.08588	49.5
108.60768	2.5
109.06519	2.8
109.10169	8.1
111.08083	7.4
117.07014	12.5
119.08586	10.2
119.46324	2.0
121.06488	4.2
121.10152	15.2
123.08044	3.4
123.11718	5.7
125.09637	46.3
129.06929	2.3
130.07779	2.2
131.08580	12.0
133.06458	2.0
133.10156	17.2
135.08095	3.4
135.11710	12.2
141.07030	2.7
142.94254	2.3
143.08621	3.2
143.10681	9.8
145.10136	7.1
147.08026	2.6
147.11728	6.9
149.09584	4.8
149.13263	34.8
151.07596	4.9
151.11275	2.7
157.10144	6.2
159.11714	19.5
163.14888	3.5
163.71411	2.1
167.03444	4.6
171.11681	2.8
173.13336	2.8
175.11156	3.3
175.14827	2.6
177.12729	12.4
181.04947	5.5
181.10088	2.3
187.11227	3.2
187.14880	3.8
195.13797	19.7
199.13318	28.1
239.61066	2.2
269.17468	31.1
271.16959	2.6
294.79474	2.4
301.21756	2.7
319.22650	2.8
393.26260	9.7
411.20929	6.4
411.27417	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01866	4.5
55.05515	20.5
55.23913	2.5
57.03427	3.3
57.07051	3.9
62.49818	1.9
65.03957	2.4
67.05505	33.5
69.07067	19.9
69.69229	7.6
69.69660	5.3
71.04990	4.3
71.08635	2.9
74.44644	1.8
79.05496	33.4
81.06573	4.3
81.07056	67.9
83.01363	2.4
83.04996	6.2
83.08617	8.1
85.06541	3.8
91.05482	55.0
93.07049	40.2
95.04958	9.4
95.08608	68.1
97.06535	8.3
97.10146	6.4
97.95540	2.0
98.21212	6.9
99.08104	4.8
103.05473	2.4
105.07036	98.1
106.07376	10.6
107.08594	25.0
109.06532	6.4
109.10178	12.5
111.08102	2.9
113.09629	2.3
115.05434	2.7
117.07052	17.6
119.08583	60.1
121.06532	4.4
121.10143	20.1
122.09707	6.9
123.08091	4.6
123.10011	5.3
123.11712	3.3
128.06143	2.9
129.06125	1.9
129.07036	7.7
130.07797	2.5
131.08557	39.0
133.10132	42.3
135.11674	19.9
137.06003	6.1
137.09604	3.8
137.13254	8.8
139.07516	6.0
141.06950	3.6
143.08597	10.3
145.10130	38.3
146.30612	2.2
147.08052	4.4
147.11697	21.0
149.13258	5.9
151.07513	3.8
153.05507	5.5
155.07042	18.3
155.08350	3.8
157.10146	9.1
159.11707	31.5
161.13264	54.8
162.13652	2.2
163.11124	2.7
163.14813	3.4
165.12764	5.2
166.13121	3.2
167.03442	6.2
167.07056	33.9
169.10204	5.7
171.11713	8.8
171.54024	2.1
173.13260	17.7
175.07489	2.2
175.14853	5.3
177.16437	2.7
179.07066	3.3
179.14337	26.9
181.04962	100.0
183.06583	2.8
183.11700	6.1
185.13292	4.4
187.14835	5.6
188.95760	2.4
189.16449	14.4
191.07021	3.5
191.10635	3.2
191.14392	3.3
191.17905	2.4
193.08696	5.0
197.13332	5.6
197.15370	6.4
201.12785	2.4
203.17953	5.9
210.34669	2.1
213.16440	8.3
215.18001	11.3
223.09697	5.0
229.19485	11.4
233.11732	2.7
239.17978	18.2
243.37425	2.1
245.11795	2.5
257.19040	53.7
288.19580	2.4
357.27838	2.8
366.31689	2.6
375.28937	3.1
393.24347	7.5
393.35184	2.8
403.51208	2.4
411.20407	2.9
411.25446	50.5
411.31216	7.8
411.36334	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	411.2532
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
53.03941	0.9
55.01883	0.6
55.05261	0.7
55.05515	10.9
56.01295	0.6
57.07090	1.1
65.03928	2.8
67.05511	43.5
68.13283	0.5
68.99776	0.7
69.07072	6.2
69.66911	0.5
70.84174	1.3
79.05497	11.6
81.07063	36.9
83.01328	0.8
83.08614	1.8
91.05489	6.1
93.07044	8.1
95.04989	1.1
95.08613	27.4
97.10176	0.6
98.21182	0.8
105.03410	0.7
105.07041	5.4
107.08612	3.1
109.06493	0.6
109.09436	1.2
109.10152	11.5
117.06995	0.9
119.08591	2.4
121.10149	1.7
123.04405	1.3
123.11686	4.0
131.08585	2.1
133.10159	1.6
135.11630	1.1
137.06020	0.7
137.13254	1.8
139.03908	2.6
139.07539	0.7
145.10170	1.0
145.86913	0.6
147.11670	1.3
151.07544	0.7
153.01837	21.3
153.05446	0.7
154.06270	0.6
155.07191	0.5
159.11678	1.2
163.03960	2.2
167.07094	2.1
173.13324	0.7
177.05533	1.4
179.03394	4.3
179.07083	0.9
181.03368	1.1
181.04973	17.2
189.05292	0.7
191.03424	0.9
191.07063	2.1
192.04179	10.0
193.05017	1.8
196.07419	0.6
203.07028	0.8
205.04977	38.8
206.05658	1.0
207.06538	2.0
217.04988	1.7
217.08559	0.8
219.06505	4.2
220.07266	4.6
221.08029	0.8
231.06558	5.2
231.10115	0.8
233.08099	23.1
234.08760	1.3
245.08182	2.0
245.11920	0.7
247.09727	3.1
257.18896	0.6
259.09683	3.4
261.11166	3.3
273.11249	1.4
275.12885	4.8
289.14377	5.6
301.14407	2.1
303.15906	6.5
315.16003	4.6
317.17575	6.7
327.15939	2.5
329.17532	5.4
331.19104	3.6
341.17490	6.2
343.19070	4.2
345.20456	1.0
353.39099	0.7
355.19067	9.6
357.20480	1.4
369.20639	6.1
393.24387	1.2
407.20490	0.6
411.25317	100.0
412.25815	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	411.2741
Annotation	Betaenone F
Peak:m/z	Relative Intensity
53.03932	5.4
55.01863	5.6
55.05518	26.9
57.07079	16.9
59.24879	2.3
65.03935	4.4
67.05173	4.6
67.05509	65.8
69.07068	40.5
71.05009	3.9
71.08613	8.8
72.40981	3.0
79.05492	24.4
81.03411	4.8
81.07058	90.6
83.04974	4.1
83.08615	25.4
91.05476	20.9
93.07040	25.2
95.04954	10.8
95.08609	83.7
97.06508	6.7
97.10186	16.1
99.04484	3.5
104.15559	2.5
105.07050	23.2
107.04980	4.8
107.08610	20.1
109.06491	4.9
109.10150	40.5
111.11703	8.4
112.42529	2.7
117.06993	7.3
119.08595	20.4
121.10144	18.4
123.04459	5.0
123.11692	21.2
128.06216	4.4
129.06976	3.9
131.08556	12.2
133.10139	21.2
135.11644	13.9
137.05957	10.0
137.09622	6.6
137.13243	11.1
139.03908	4.1
139.07552	2.6
139.11201	3.6
141.05467	100.0
141.12715	3.8
143.08565	4.0
145.10127	7.4
147.08128	4.3
147.11664	11.1
149.13266	8.1
151.07527	5.3
151.11154	5.3
151.14850	5.3
153.05453	36.9
155.07027	9.7
157.10126	4.0
159.11702	9.2
161.13278	9.8
163.03851	2.7
163.14833	8.1
165.05469	3.2
167.03403	84.3
167.07056	10.1
169.10127	3.2
170.02158	3.2
173.84204	2.7
175.07478	3.1
175.14816	7.8
177.05479	5.1
177.16377	4.6
179.07022	8.2
181.04922	14.3
182.05258	3.4
187.14775	3.3
189.16402	9.1
191.17941	3.6
193.19510	2.7
195.06470	5.9
201.90163	3.3
207.10239	5.6
207.21062	10.3
215.18050	3.4
217.19524	23.9
235.20584	17.3
253.21777	3.8
255.81731	3.1
257.18930	7.0
301.74063	3.6
357.23907	3.2
375.25092	8.7
392.33466	3.2
411.25092	16.9
411.32620	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	411.2529
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
51.55805	0.5
52.33084	0.5
53.03944	1.6
55.05298	0.5
55.05517	6.6
58.45200	0.5
63.43769	0.5
65.03938	0.9
67.05511	18.6
69.07079	3.2
69.58571	0.9
69.58981	2.4
79.05503	6.4
81.07063	14.6
83.01343	1.3
83.08633	0.8
89.83913	0.5
91.05492	3.8
93.07056	5.5
95.04970	1.1
95.08618	10.5
98.21130	1.9
105.03396	0.7
105.07051	5.8
107.08594	2.2
109.10170	2.4
117.07024	1.4
119.08613	2.7
121.10195	1.5
122.09655	1.4
123.11718	1.2
131.08549	1.3
133.10143	1.3
136.09755	0.5
145.10168	1.2
147.11737	0.9
151.07567	1.6
153.05469	0.7
155.07062	0.9
159.11716	1.2
167.03476	0.6
167.07065	3.3
173.13271	0.8
179.07065	0.7
181.04982	29.4
182.05377	0.5
191.07059	3.6
192.07664	0.6
193.04926	0.7
193.08562	0.7
204.07874	0.6
205.08640	0.7
207.06555	4.5
215.10802	0.6
215.18013	1.0
217.08615	1.8
219.06583	2.2
219.10175	0.7
220.07335	15.5
221.08020	1.5
231.10274	1.0
233.08113	47.8
234.08705	2.1
241.08536	0.6
243.10129	0.6
245.08185	1.5
246.08823	0.7
247.09744	3.3
257.18924	0.7
259.09702	6.7
261.11273	2.5
273.11377	2.7
275.12851	2.0
289.14447	1.5
303.15939	2.3
315.16010	1.0
317.17435	1.4
327.15863	0.8
329.17453	2.4
331.19113	0.9
341.17413	2.3
343.19077	1.8
355.19022	3.3
369.20575	2.1
393.24368	0.7
411.25308	100.0
412.25714	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	411.253
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
53.03938	2.6
55.01863	3.1
55.05513	10.6
56.12853	1.4
67.05169	1.8
67.05505	22.3
69.07045	6.6
71.33047	1.4
79.05493	23.2
81.07056	21.6
83.01336	6.8
83.08597	3.9
91.05482	47.3
93.07040	20.2
95.04964	4.6
95.08604	12.8
97.02914	1.8
97.06509	2.9
98.21259	9.3
99.69388	1.4
105.07036	59.9
107.08590	15.4
109.06466	1.8
109.10136	5.5
117.07016	17.9
119.08582	32.9
121.06514	2.3
121.10126	6.7
123.08077	2.7
128.06267	1.6
129.06987	5.8
130.07787	4.0
131.07588	1.8
131.08569	30.1
133.10136	23.9
135.04440	2.0
135.08022	2.1
135.11668	4.8
137.05983	6.6
139.07487	2.9
142.07826	2.1
143.08569	7.7
145.10135	27.5
147.08011	4.1
147.11671	15.8
147.58112	1.5
149.13213	1.9
151.07538	6.1
152.71883	1.7
153.05478	3.8
155.07047	29.4
155.08438	3.8
156.07434	1.7
157.10123	11.6
159.11702	24.3
161.09618	2.6
161.13275	8.8
163.07539	2.1
165.05496	2.9
165.09111	3.0
167.07050	38.0
167.08434	3.2
169.10173	3.0
171.11728	6.2
173.13283	14.0
175.07565	2.6
175.11162	2.1
175.14851	2.3
177.05629	1.9
177.12752	3.2
179.07108	1.9
181.04962	100.0
181.08513	5.3
182.05345	1.8
183.06555	4.4
183.11635	3.6
185.13268	2.1
189.16417	1.8
191.07034	4.8
192.24364	1.4
193.08600	5.4
197.13177	3.9
201.12782	2.0
202.73175	1.5
206.82849	1.8
209.08150	4.3
213.16444	4.9
215.17957	7.5
219.10143	2.0
223.09653	2.1
227.10661	2.5
229.08777	1.6
229.19487	7.4
231.10172	3.0
239.18005	11.7
257.16251	2.1
257.19009	47.2
393.24390	12.9
411.25296	87.8
412.25500	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	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.72280	0.3
55.05504	0.6
62.96664	0.3
64.30946	0.3
64.33533	0.3
64.34126	0.3
65.57188	0.3
67.05511	0.3
69.03426	0.6
69.35023	3.2
71.40381	0.3
81.07048	0.4
83.04986	1.8
83.08633	0.6
85.06507	0.3
91.05451	0.5
95.08575	0.6
98.21149	1.6
105.07051	0.5
107.08589	0.8
109.02921	0.3
117.15563	0.3
131.04933	0.5
131.27145	0.4
137.06000	0.4
151.11195	0.9
161.09575	0.6
167.14323	2.5
185.95714	0.3
203.05208	0.8
209.15359	2.0
227.23488	0.3
231.13618	1.3
249.11266	0.3
249.14554	2.1
355.87943	0.4
372.92587	0.3
411.19894	100.0
412.20132	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	411.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05510	7.2
57.07073	0.6
65.03938	2.0
65.28468	0.6
67.05505	22.2
69.07076	3.9
70.62808	0.6
70.63156	1.7
74.00686	0.5
77.90985	0.5
79.05495	9.1
81.07059	18.3
83.01348	1.6
83.08611	1.0
91.05484	4.9
93.07051	7.9
95.04972	1.3
95.08607	12.1
98.21207	0.8
101.30907	0.5
105.03409	0.8
105.07027	8.1
107.05007	0.7
107.08604	4.0
107.43637	0.5
109.06561	0.6
109.10160	4.5
111.97918	0.5
117.07038	1.6
119.08564	3.3
121.10135	3.1
122.09701	2.6
123.08066	0.9
123.11688	2.0
131.08578	1.4
133.10158	2.8
135.08089	0.7
135.11690	1.3
137.13309	0.7
143.08560	0.7
145.10112	1.6
147.11659	1.1
149.13281	0.9
151.07573	2.4
153.05415	0.8
155.07082	1.6
155.08420	0.6
156.76762	0.5
159.11694	1.3
161.05971	0.9
161.13365	1.0
163.07472	0.5
163.14775	0.6
167.07047	4.3
171.11700	0.6
173.13293	0.9
175.07675	0.8
175.14902	0.8
177.05431	0.6
179.07076	1.5
181.04964	34.8
182.05336	1.3
183.06493	0.7
191.07040	3.2
193.04982	0.6
193.08635	1.2
198.05257	0.6
202.66055	0.5
205.08604	1.2
207.06503	5.4
215.17979	0.8
217.08498	1.1
219.06535	2.8
220.07317	18.5
221.08029	2.4
231.06476	0.8
231.10201	2.2
233.08086	61.4
234.08731	3.8
239.18042	0.6
241.08546	0.7
245.08116	2.4
246.08974	1.3
247.09694	4.2
257.19086	0.8
259.09695	7.2
260.10229	0.7
261.11252	3.5
273.11191	2.4
275.12790	2.2
289.14334	2.5
291.23389	0.5
303.15952	2.0
315.15836	0.8
317.17450	1.7
327.16034	0.5
329.17426	2.3
331.18906	1.2
341.17386	2.5
343.19119	2.3
355.19104	4.2
369.20593	2.4
379.92886	0.5
393.24451	1.3
411.25296	100.0
412.25607	3.2
412.31290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05502	16.9
57.07069	8.1
58.18176	2.8
63.47277	2.6
67.05507	27.4
69.06712	4.4
69.07069	54.1
71.17348	5.9
75.05128	3.2
75.05573	2.6
79.05471	12.6
81.06586	3.4
81.07057	62.4
83.08621	20.7
90.29191	3.0
91.05458	8.2
91.79807	2.8
93.07041	27.7
95.08049	5.0
95.08607	69.0
97.10146	8.4
98.21330	3.6
105.07027	15.3
107.08601	35.9
109.10157	56.3
111.11703	8.2
117.07024	4.9
117.65919	3.1
119.08586	26.6
121.10143	39.0
123.11713	32.7
126.15778	3.5
131.08566	10.5
133.10127	29.2
135.11688	30.2
137.13251	14.6
145.10138	16.4
147.11711	19.6
149.13223	16.1
159.11671	17.2
161.13286	16.1
163.14807	14.1
171.11620	3.7
173.13242	12.8
175.14804	12.6
177.16350	12.0
185.13344	5.0
187.14819	8.1
189.16362	17.2
191.17926	5.8
199.14767	4.7
201.16357	8.9
203.17972	12.5
205.19560	2.7
213.16386	3.5
215.17969	10.5
217.19464	8.7
227.17825	2.9
229.19377	5.7
231.21150	6.9
241.19685	3.3
243.21178	7.9
245.22592	5.9
248.33466	2.9
250.73378	2.8
257.22571	7.8
259.24338	6.4
271.24301	8.2
273.25879	3.2
285.25757	8.4
299.27274	4.8
325.29037	3.6
327.30356	7.2
339.30566	4.4
347.67755	3.0
353.31833	4.5
409.32806	4.9
409.38257	100.0
424.71375	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	410.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01863	12.0
57.07072	6.6
67.05511	8.3
69.03420	14.7
69.07050	10.9
69.95103	8.8
69.95517	6.0
70.02948	7.5
71.04991	3.0
72.04523	28.6
73.02924	14.0
73.06538	5.0
74.02439	3.2
77.11331	2.3
78.20098	2.5
81.03415	24.9
81.44337	2.7
83.04974	8.3
83.89957	2.6
85.02924	16.1
85.03341	2.9
85.06537	10.2
86.09689	5.2
90.05566	55.9
95.01358	3.1
95.04967	10.2
96.08106	2.9
97.02885	12.6
98.02422	18.0
98.21248	6.8
99.04446	9.9
100.03985	6.4
109.02882	36.5
113.06023	7.7
116.03482	21.3
116.61015	3.3
117.71717	2.8
123.04471	5.9
124.07603	25.7
127.03909	20.8
132.06551	7.4
138.05522	6.0
142.08583	13.8
145.04951	9.2
160.09612	7.1
166.08669	4.2
172.09717	4.1
174.11195	5.3
184.09694	32.7
193.33705	2.6
198.07596	4.9
199.06010	10.8
202.10750	100.0
203.11516	4.6
211.09660	8.5
216.08640	8.4
217.07028	5.7
220.11818	33.9
230.10236	11.8
234.09698	12.5
244.11639	5.2
248.12958	3.5
262.12878	18.6
271.10641	4.4
272.10995	6.4
310.12836	7.3
315.01370	4.9
324.10550	3.4
328.13940	46.5
339.01321	4.0
342.11420	4.7
346.15024	13.7
364.16010	21.5
374.14169	4.7
392.15067	7.3
393.02417	4.4
410.16550	36.0
411.03448	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05511	8.8
56.51954	0.9
57.07053	2.6
65.03934	1.6
67.05504	26.5
69.06716	1.3
69.07065	15.6
70.60389	2.2
71.08643	1.2
79.05055	1.8
79.05493	25.9
81.07060	27.4
83.04975	1.4
83.08614	8.0
91.05483	14.9
93.06467	2.0
93.07043	29.6
95.04942	2.0
95.08608	77.2
96.41350	0.9
97.06490	1.5
97.10162	3.6
98.20856	1.2
105.06377	1.8
105.07032	21.1
107.04984	1.3
107.08596	100.0
108.08914	1.3
109.06497	2.3
109.10160	38.8
117.07049	4.5
119.08586	31.4
121.06481	2.0
121.10147	44.8
122.08048	0.9
123.08094	1.0
123.11714	10.3
129.07024	1.6
130.07816	1.1
131.08569	7.7
131.85336	0.9
133.10136	30.8
135.08044	4.9
135.11696	18.6
137.09647	1.2
137.13275	2.7
143.08551	3.6
145.10117	18.1
147.08051	1.0
147.11703	17.1
149.09686	1.7
149.13260	22.1
151.11221	1.2
151.14806	1.3
157.10094	3.5
158.10962	1.3
159.11681	11.6
161.09680	1.4
161.13243	10.5
163.11176	12.3
163.14822	13.3
169.10066	1.4
171.11714	3.9
173.13217	7.9
175.11234	2.3
175.14828	23.6
177.12801	4.0
177.16385	38.6
183.11763	1.1
184.90778	0.8
185.13277	3.6
187.14810	17.9
189.12733	1.9
189.16380	15.0
191.17944	6.8
199.14832	2.7
201.16417	7.3
203.14339	3.2
203.17963	40.8
205.15869	74.4
205.19470	2.5
206.16174	1.4
207.17465	1.3
213.16396	3.7
215.14493	1.4
215.17976	6.5
217.15872	2.4
217.19499	2.2
219.17416	4.5
225.16266	1.4
227.17990	3.0
229.19499	3.7
231.17476	2.7
231.20959	1.6
233.18831	1.4
239.17960	1.8
241.19539	2.1
243.21114	1.7
245.19029	2.1
253.19492	1.6
255.21150	2.5
256.71930	1.2
257.19083	1.2
259.20694	1.4
269.22833	1.0
271.20633	1.9
285.25742	10.2
295.24170	15.5
313.25247	21.5
321.25992	1.0
339.26846	4.6
381.35214	1.7
391.22876	1.0
391.33691	6.2
409.23987	3.7
409.34671	45.0
410.35126	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	409.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
53.30465	2.4
55.05520	19.1
57.07088	11.9
57.39403	2.3
62.59627	2.3
62.64386	2.4
67.05507	32.4
68.52043	2.6
69.06721	4.6
69.07074	67.3
71.08605	3.7
71.18476	3.2
79.05510	18.8
81.07065	100.0
82.79989	2.7
83.08615	20.7
84.05334	2.5
91.05475	10.9
93.07043	32.3
95.08612	83.5
97.10159	8.0
98.20928	3.0
101.75911	2.5
105.07030	29.5
107.08602	41.6
109.10159	60.3
111.11732	5.1
113.91570	2.7
117.06995	3.4
119.08575	32.7
121.10143	43.4
123.11724	28.6
129.06964	3.0
131.08556	9.0
133.10147	26.2
135.11694	27.3
137.13271	11.9
145.10127	14.9
147.11710	23.1
149.13274	22.1
151.14813	4.3
159.11707	21.9
161.13298	21.1
163.09566	2.8
163.14841	13.6
171.11635	4.5
173.13277	19.0
175.14841	15.4
177.16350	11.7
185.13264	3.3
187.14870	11.7
189.16380	11.7
191.17972	7.1
201.16422	6.3
203.17969	9.8
213.16443	4.7
215.17996	15.5
215.19704	2.7
217.19478	9.2
218.78278	2.5
227.17931	3.7
229.19577	19.5
231.21071	10.0
243.21255	2.6
245.22687	3.5
257.22650	6.5
259.24417	4.6
271.24271	6.2
285.25903	5.1
299.27161	4.3
327.30466	5.0
334.53275	2.7
374.70743	2.4
409.38306	85.1
410.38702	5.3
429.86160	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05510	13.1
57.07051	2.3
67.05201	2.7
67.05508	23.6
69.07072	15.1
69.75227	3.4
69.75618	8.1
69.87869	2.1
77.57253	2.0
79.05497	21.9
81.07054	50.5
82.17730	2.4
83.08611	8.4
91.05479	18.4
93.07046	41.7
95.08607	100.0
97.10155	4.6
98.20890	5.1
98.21487	3.8
105.07030	54.0
107.08593	67.2
107.58767	2.0
109.06500	3.4
109.09450	4.7
109.10150	49.8
111.08085	10.4
117.07021	8.0
119.08578	47.7
121.10135	35.6
123.11715	14.3
129.07033	3.5
131.08597	15.2
133.10139	25.4
135.11699	24.2
137.13271	3.1
139.11176	2.6
140.81068	2.2
143.08560	10.3
145.10121	27.2
147.11673	33.3
149.09729	2.3
149.13266	35.7
157.10138	8.5
159.11676	24.7
161.13248	19.9
163.14812	24.1
169.10069	2.7
171.11659	6.7
173.13249	18.3
175.14822	22.9
177.16405	19.3
183.11739	3.3
185.13214	11.9
187.14830	34.6
189.16368	23.8
191.17966	6.7
195.17345	2.1
199.14813	7.8
201.16328	12.1
203.17952	27.9
205.15843	7.2
213.16347	14.1
215.18004	7.9
217.19392	5.4
219.17395	3.8
227.17929	8.1
231.17426	5.4
233.18954	2.4
241.19487	6.9
243.21143	6.4
245.19043	3.1
253.19669	3.1
255.21039	13.8
257.22501	2.6
267.21045	4.0
269.22565	6.0
271.76645	2.3
285.21811	2.5
313.25400	6.2
321.25961	2.5
351.30408	8.4
391.33658	10.5
409.29517	4.8
409.34671	71.9
410.35315	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61267	0.8
53.03942	1.3
55.05510	11.8
57.07078	4.4
65.03946	1.4
67.05506	22.5
69.06715	1.8
69.07069	23.6
69.79668	2.6
69.80082	1.6
71.08645	1.9
79.05046	1.7
79.05491	18.3
81.07060	40.5
83.05001	1.9
83.08624	11.0
84.08924	1.2
85.06553	1.9
85.10195	0.9
86.71406	0.8
91.05480	17.6
93.07048	40.0
94.07400	0.9
95.04977	3.0
95.08611	78.4
96.08946	2.6
97.06535	1.1
97.10175	5.0
98.20946	1.8
105.07035	36.3
107.08600	67.1
108.08998	0.9
109.06528	2.5
109.10157	33.4
110.10545	1.0
111.11729	1.7
117.07027	4.5
118.07684	0.9
119.08587	34.5
120.68442	0.8
121.06512	2.2
121.10152	54.8
122.10421	1.0
123.08064	1.3
123.11710	12.3
127.03938	2.1
128.04283	1.8
129.04417	0.9
129.06978	1.2
131.08585	9.5
133.10136	35.2
134.10469	1.3
135.08080	6.5
135.11702	21.5
137.06136	0.9
137.09583	1.0
137.13252	3.0
139.03934	1.4
142.07843	0.8
143.08542	3.0
145.09023	1.6
145.10136	20.0
147.11696	22.6
147.12779	1.7
149.09621	1.5
149.13266	42.0
151.11247	1.5
151.14856	0.9
153.01825	1.4
155.07080	1.3
157.10165	2.9
158.10915	1.3
159.11696	12.4
159.12872	1.4
161.09636	2.0
161.13277	15.1
161.14597	1.2
163.11194	14.9
163.14827	26.6
164.15143	0.9
169.10194	0.9
170.10890	1.3
171.11731	4.0
172.12517	1.6
173.13254	6.9
175.11296	2.0
175.14836	23.9
177.12807	4.7
177.16406	42.3
181.04985	2.5
183.11766	1.3
185.13303	2.5
187.14821	19.3
189.12848	1.2
189.16397	20.3
191.17943	11.4
199.14859	1.8
201.16414	8.6
203.14378	2.7
203.17966	100.0
204.18356	2.3
205.15884	60.5
205.19553	4.9
206.16316	0.8
207.17540	1.7
213.16388	4.2
215.17978	6.0
217.15921	1.2
217.19530	3.5
219.17474	6.9
227.17957	2.4
229.19539	3.8
231.17433	5.5
231.21091	2.0
233.08069	1.0
233.19016	1.5
241.19527	3.4
243.21106	2.7
245.19112	1.8
245.22708	1.1
255.21127	2.1
259.20557	1.7
267.21008	1.2
269.22650	1.5
271.20523	1.7
295.24084	1.1
339.27023	1.0
381.35141	3.8
391.33542	7.8
409.23547	6.9
409.34677	79.4
410.35117	4.4
416.77310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	57.4
57.07066	36.8
57.08424	9.6
65.42448	9.3
67.05511	49.5
69.07071	100.0
71.08624	20.9
71.58617	25.4
72.47646	8.7
77.55366	9.6
79.05481	22.5
81.07073	61.8
83.01340	38.1
83.07964	9.7
83.08630	59.8
83.11830	13.3
91.05463	26.6
93.07053	45.9
95.08606	78.4
97.10155	28.0
105.07029	24.3
107.08585	36.7
109.06477	14.2
109.10149	61.3
111.11723	11.5
115.14851	9.7
119.08592	31.1
121.06496	14.5
121.10146	25.4
123.08074	19.0
123.11694	30.7
127.03898	42.4
129.09891	9.5
131.08562	33.6
133.10124	16.5
135.11697	22.9
142.02539	9.9
145.10120	22.8
149.09612	19.9
157.10075	13.5
159.11691	17.8
161.13310	9.9
165.09100	29.3
165.12793	10.4
169.08615	19.3
177.09111	12.6
183.10121	70.8
187.14711	14.8
189.05457	18.4
195.10297	16.5
197.11687	18.5
209.11778	12.7
211.13248	11.5
215.07011	13.9
223.13251	11.8
237.14717	13.5
239.16432	18.7
251.16286	13.7
253.17908	23.1
261.18481	9.7
265.17847	16.5
295.46045	11.2
335.25815	10.8
391.32062	31.7
409.23264	41.9
409.34381	28.9
423.18991	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01857	2.3
55.05504	12.0
57.07080	6.6
62.83681	1.1
65.03922	2.1
67.05507	29.2
69.07065	23.1
70.81434	2.5
70.81750	2.1
71.04988	2.2
71.08625	3.6
76.64365	1.4
79.05494	19.8
81.03398	1.6
81.07055	57.6
83.04980	2.6
83.08628	9.1
85.10180	2.2
85.28470	1.2
88.10587	1.2
91.05474	19.1
93.07037	38.9
95.04976	3.5
95.08605	73.5
97.06554	2.8
97.10185	5.1
99.08092	2.6
105.06372	2.7
105.07028	31.6
107.07855	2.3
107.08595	48.5
108.85561	1.4
109.06474	2.0
109.10152	33.0
111.00779	1.4
111.08080	4.9
111.11719	3.0
113.09678	1.8
115.05463	1.5
117.07002	7.8
119.08585	34.9
121.06526	1.7
121.10136	38.0
123.08079	2.6
123.11709	12.1
125.09647	1.7
128.06206	1.5
129.07007	6.3
131.08582	19.7
133.10129	23.2
135.08076	1.8
135.11691	26.9
137.05957	1.5
137.09631	3.4
137.13243	9.8
139.11172	16.3
141.05496	3.7
142.07790	2.2
143.08556	13.5
145.10127	26.4
147.11682	21.6
149.13257	25.0
151.07549	1.5
151.11226	2.3
151.14793	1.5
152.83252	1.4
153.05513	3.2
153.12761	2.0
155.07063	2.1
155.08571	3.8
156.09384	2.7
157.10144	14.1
158.10867	2.1
159.11700	18.6
161.13239	11.7
163.11133	2.3
163.14807	14.9
165.16379	1.5
167.03386	4.9
167.07112	3.1
167.08688	1.6
169.10149	3.8
171.11699	15.0
173.11882	2.6
173.13252	15.6
175.14828	13.8
177.16371	20.9
180.09323	2.0
181.04958	6.0
183.11696	4.9
185.13297	8.7
187.14818	21.2
189.16347	18.6
191.17982	5.1
195.11774	5.8
195.17445	19.1
197.13248	5.3
199.14838	12.4
201.16353	13.0
203.17984	12.6
205.15947	3.2
205.19580	1.7
209.13341	3.7
211.14873	6.1
213.16379	14.1
214.17090	1.6
215.10852	1.5
215.17955	22.4
217.15869	2.1
217.19574	4.0
222.13951	1.6
225.16364	2.5
227.18002	5.6
229.19504	7.0
231.17459	1.9
231.21155	1.8
237.16418	6.1
239.17961	3.1
241.19498	9.1
243.20956	6.1
253.19478	3.9
255.17444	6.9
255.20996	12.3
257.22754	3.2
267.21155	4.1
269.22641	7.7
271.20731	1.4
281.22427	1.6
285.22073	2.5
295.24185	2.2
313.25232	2.0
351.30551	5.1
391.22815	2.4
391.33560	14.3
409.23618	11.7
409.34686	100.0
410.35040	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.05518	18.4
56.77946	1.8
57.03460	2.3
57.07075	7.6
59.04979	2.1
67.05504	28.4
69.03434	5.4
69.07072	11.6
71.04981	2.7
77.03954	1.8
79.05489	21.6
81.03414	2.2
81.07060	43.1
81.56635	1.7
83.04949	2.5
83.08624	4.1
85.06548	4.3
88.57899	1.5
91.04956	3.4
91.05488	38.7
93.07052	43.6
95.04974	39.0
95.08607	38.8
97.06521	8.8
98.20695	3.7
98.21378	7.9
103.05502	3.0
104.06228	2.0
105.07037	100.0
106.34887	1.9
107.04951	2.0
107.08593	38.2
109.06534	9.9
109.10174	20.5
111.04463	2.0
111.08104	3.2
115.05451	2.8
117.07001	12.9
119.04948	2.0
119.08581	62.3
121.06489	13.0
121.10160	22.5
123.08067	15.5
123.11703	6.6
125.05980	2.3
126.56890	2.0
128.06226	5.9
129.07047	9.4
130.07813	5.3
131.08568	25.1
132.09441	1.8
133.06502	5.3
133.10138	22.2
135.08060	13.8
135.11703	10.8
137.05984	2.7
137.09645	6.2
137.13297	3.3
141.06969	3.3
142.07787	10.4
143.08568	14.3
144.09351	3.8
145.06578	3.2
145.10130	40.6
147.08025	13.7
147.11696	45.0
149.09575	10.6
149.13293	8.9
151.07579	14.6
151.87434	2.5
153.05391	2.5
153.09099	3.2
155.07101	2.4
155.08575	6.4
156.09438	4.1
157.10144	22.9
159.08063	4.4
159.11714	18.5
161.09668	3.7
161.13258	10.5
163.11214	4.5
163.14833	6.3
165.09132	26.0
165.12733	2.8
168.09380	4.7
169.10129	9.6
170.11018	2.1
170.23805	2.0
171.11732	9.6
173.09637	4.8
173.13255	14.8
174.10435	2.4
175.11206	29.7
175.14871	6.7
177.09184	2.9
177.16406	4.9
181.04967	6.2
181.10117	2.7
182.10930	1.9
183.11681	8.4
185.13263	6.8
187.11243	3.7
187.14832	9.2
189.12770	5.1
189.16466	8.7
191.14252	2.4
195.11700	4.1
196.12456	2.2
197.13280	6.0
199.14854	3.9
201.12794	4.9
201.16428	6.7
203.14368	8.2
203.18018	7.7
205.15897	3.0
207.11781	2.8
207.13872	5.4
208.12576	1.9
209.13300	5.1
209.15288	3.0
211.14851	4.1
213.16391	2.4
215.17999	4.6
217.19310	2.8
219.13802	3.1
221.15378	53.7
225.16452	3.7
227.14548	2.6
229.15958	3.6
229.29416	2.0
231.13863	4.5
233.15370	3.3
234.16164	17.0
239.17955	2.5
241.19583	3.1
253.16032	2.1
255.17456	2.3
257.22571	2.6
267.17493	2.6
269.19083	2.0
287.20065	5.1
300.20795	3.5
317.21506	1.9
329.21225	4.4
341.43741	1.9
391.26196	5.1
391.33743	4.0
409.27371	35.6
409.34607	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.5
57.07063	3.9
65.03925	2.4
67.05509	11.9
69.07070	13.6
69.25802	12.6
69.75525	1.2
71.08622	2.2
79.05509	8.0
81.07059	32.8
83.08611	5.7
88.07302	1.2
91.05479	8.0
93.07045	25.5
95.04960	2.0
95.08610	36.3
97.06537	3.1
97.10179	3.3
98.21128	6.9
105.07040	20.1
107.08602	39.5
109.06561	1.9
109.10162	16.5
116.95630	1.2
117.07022	3.5
119.08585	25.4
119.56237	1.2
119.74145	1.3
121.10146	24.4
123.11707	7.2
129.07001	3.0
131.08569	7.3
133.10141	18.0
135.11705	14.8
137.13257	5.3
137.46791	1.4
143.08565	7.1
145.10130	15.8
147.11707	19.7
149.13266	31.7
155.08472	1.3
156.09387	1.8
157.10165	9.0
159.11690	10.5
161.13252	7.8
163.14818	35.3
169.10101	1.9
171.11708	7.2
173.13280	10.3
175.14856	11.1
177.16408	11.7
181.04909	4.4
181.06398	1.7
183.11661	3.0
185.13303	6.6
187.14854	12.7
189.16414	12.1
191.17944	2.8
197.13245	1.3
199.14810	6.1
201.16397	7.6
203.17923	14.4
205.15912	1.6
211.14716	1.7
213.16365	8.3
215.17944	12.7
217.19550	2.1
227.17941	7.8
229.19528	11.2
241.19513	10.8
243.21130	5.3
253.19475	2.6
255.21115	17.8
257.22690	5.0
259.20682	3.2
267.21179	3.0
269.22690	11.1
281.22754	1.7
285.22177	13.9
295.24255	3.9
316.84946	1.4
373.23605	1.8
391.28720	2.4
391.33533	12.7
402.95071	1.4
409.34674	100.0
410.35095	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	15.3
55.05508	62.3
55.79197	11.1
57.07062	39.4
67.05500	46.7
69.07062	95.0
69.58418	52.8
69.58828	23.5
71.08621	17.8
79.05489	30.3
81.07051	86.8
83.01329	44.4
83.08622	57.7
85.06528	18.7
91.05489	19.7
93.07041	44.0
95.08613	100.0
97.10169	26.3
98.20743	24.2
98.21329	33.0
101.02421	12.8
105.07018	30.5
107.08568	54.7
109.02873	19.5
109.10159	68.9
111.11738	14.6
113.02348	21.9
113.05991	13.2
117.07055	18.6
119.08548	31.1
121.10126	34.1
123.08041	12.7
123.11743	29.2
127.03918	70.1
131.08504	13.8
133.10106	21.9
135.11690	12.2
137.09639	18.4
137.13271	13.3
145.10100	13.8
147.11676	18.7
149.09575	13.6
149.13287	21.7
151.07607	16.1
155.06960	11.5
157.10057	13.3
159.11769	12.9
161.13338	14.5
165.09142	16.1
177.09100	13.8
183.10110	43.8
185.09647	11.9
187.14684	18.6
189.05519	14.3
195.10159	13.5
197.11617	14.0
201.16331	19.5
203.18062	12.9
209.11713	12.3
225.14941	13.5
237.14893	19.3
239.16347	17.5
251.16435	13.2
253.17802	15.6
265.17996	23.0
267.19452	17.9
279.19556	25.5
350.25479	14.2
391.22760	14.2
391.27609	16.6
391.32117	46.7
409.23666	49.0
409.34787	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	409.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	22.7
57.07087	21.0
67.05510	32.6
69.07077	47.8
71.57381	11.2
71.57744	11.0
79.05496	37.1
81.07074	100.0
82.30044	9.7
83.01375	11.4
83.08650	29.7
85.06560	10.9
91.05497	34.6
93.07060	49.6
95.08601	80.4
97.10172	29.6
105.07018	65.1
107.08593	63.8
109.10178	46.1
117.07068	15.5
119.08588	62.7
121.10162	28.5
123.08080	13.4
123.11707	11.2
126.11617	10.2
126.56769	13.9
127.03938	29.8
131.08577	34.8
133.10143	36.2
135.11713	45.5
137.06081	13.2
143.08542	18.4
145.10123	50.6
147.08128	10.7
147.11673	15.5
149.09560	13.8
149.13292	28.3
151.07591	21.6
157.10219	16.5
159.11708	29.6
161.13434	15.2
163.14867	19.9
171.11638	11.0
173.13350	17.1
176.85014	9.3
177.09149	10.0
181.05011	21.2
183.10222	26.4
187.14816	26.6
189.16458	16.8
201.16408	51.9
203.18008	15.4
209.28975	11.2
213.16418	12.2
233.08064	20.0
251.16414	13.3
253.17838	11.5
253.75780	10.1
276.62125	13.0
353.28625	10.9
391.32513	14.1
409.23541	63.8
409.35089	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.295
Annotation	3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
55.01864	2.6
55.05503	6.6
56.77090	1.6
57.07080	8.9
63.98132	2.0
67.05509	12.0
69.03445	1.9
69.07076	10.0
71.08624	1.8
71.57926	2.1
74.96767	1.6
79.05489	12.3
81.07061	14.9
83.08621	7.2
85.06531	3.3
91.05492	8.7
93.07066	9.8
95.04960	2.3
95.08614	17.8
97.10176	2.4
105.07024	8.0
107.08613	9.2
109.06503	2.0
109.10139	7.7
111.04469	1.9
111.08134	2.1
117.07011	2.4
119.08582	7.1
121.06507	1.8
121.10169	9.5
123.04429	1.9
123.11721	3.3
125.05956	2.0
125.09650	2.4
127.03896	10.0
131.08575	5.4
133.10124	7.2
135.11697	6.3
137.05995	3.5
139.03900	13.9
139.07527	2.5
145.10115	6.3
147.11646	4.2
149.13231	4.9
153.01839	100.0
154.37941	1.8
155.03383	4.8
155.07082	3.3
157.10153	4.3
159.11671	5.3
161.13222	3.8
163.14772	3.9
165.05440	2.5
167.07060	4.5
169.04936	1.7
169.08670	2.9
169.10106	1.8
171.02856	2.3
171.11761	4.2
173.13228	3.4
175.14836	3.0
177.16405	3.5
181.04962	20.4
181.08597	2.5
183.11687	2.6
187.14900	2.7
191.07018	2.1
193.08479	2.3
201.16345	2.2
203.17879	4.4
205.15788	2.7
213.16420	3.0
220.07298	2.8
233.08130	11.0
233.11707	6.2
241.19646	5.0
245.11723	2.2
247.13356	5.0
259.09561	3.0
259.13251	8.3
373.27078	2.5
391.23538	3.4
391.28442	42.2
409.22894	23.1
409.27600	12.4
409.34753	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	409.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01876	2.0
55.05510	15.3
57.03439	6.6
57.07064	2.0
59.04998	3.9
65.03941	2.4
67.05507	100.0
69.03443	1.5
69.07075	9.3
69.87313	0.7
71.01353	2.3
71.05000	4.3
71.57192	0.7
71.57552	0.8
79.05495	25.7
81.03419	3.6
81.07058	23.7
81.07446	0.8
83.04984	5.0
83.08624	5.9
85.02922	0.7
85.06526	4.3
86.81382	0.6
91.04904	0.9
91.05482	17.6
93.07046	31.3
95.04977	4.3
95.08610	12.6
97.06547	7.1
97.10181	5.7
98.21276	0.7
99.04440	0.7
99.08133	1.7
105.04543	1.3
105.07039	6.8
107.04960	1.3
107.08599	20.3
109.06521	1.8
109.10159	63.1
111.08097	2.8
113.06025	0.9
114.83828	0.6
117.07015	5.1
119.08579	8.5
121.06553	1.2
121.10143	5.1
123.04475	0.7
123.08049	0.9
123.11746	1.3
125.09630	1.9
127.24048	0.7
129.07021	2.0
130.07806	1.3
131.08549	3.6
133.10103	3.4
135.08110	1.4
135.11696	30.1
137.06035	1.0
137.09599	3.6
137.13214	0.7
137.28592	0.6
139.07509	0.9
143.08611	2.0
145.10129	7.4
147.08023	0.9
147.11702	1.5
147.75798	0.7
149.09613	1.2
151.07571	0.9
151.11263	1.1
155.07088	2.0
155.10678	4.2
157.10179	2.4
159.11798	1.8
163.11185	4.6
167.07028	1.6
169.10234	1.3
171.11717	1.6
173.11749	19.1
173.13141	1.4
175.14873	1.1
181.04968	4.5
181.12236	6.4
187.14986	1.0
191.07156	0.9
195.11848	0.7
199.13348	2.0
209.30553	0.6
227.18134	1.0
237.16377	0.7
244.14677	0.6
255.17708	1.3
287.05255	0.9
291.39911	0.6
409.08755	1.0
409.25949	40.8
410.26321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.05518	18.4
56.77946	1.8
57.03460	2.3
57.07075	7.6
59.04979	2.1
67.05504	28.4
69.03434	5.4
69.07072	11.6
71.04981	2.7
77.03954	1.8
79.05489	21.6
81.03414	2.2
81.07060	43.1
81.56635	1.7
83.04949	2.5
83.08624	4.1
85.06548	4.3
88.57899	1.5
91.04956	3.4
91.05488	38.7
93.07052	43.6
95.04974	39.0
95.08607	38.8
97.06521	8.8
98.20695	3.7
98.21378	7.9
103.05502	3.0
104.06228	2.0
105.07037	100.0
106.34887	1.9
107.04951	2.0
107.08593	38.2
109.06534	9.9
109.10174	20.5
111.04463	2.0
111.08104	3.2
115.05451	2.8
117.07001	12.9
119.04948	2.0
119.08581	62.3
121.06489	13.0
121.10160	22.5
123.08067	15.5
123.11703	6.6
125.05980	2.3
126.56890	2.0
128.06226	5.9
129.07047	9.4
130.07813	5.3
131.08568	25.1
132.09441	1.8
133.06502	5.3
133.10138	22.2
135.08060	13.8
135.11703	10.8
137.05984	2.7
137.09645	6.2
137.13297	3.3
141.06969	3.3
142.07787	10.4
143.08568	14.3
144.09351	3.8
145.06578	3.2
145.10130	40.6
147.08025	13.7
147.11696	45.0
149.09575	10.6
149.13293	8.9
151.07579	14.6
151.87434	2.5
153.05391	2.5
153.09099	3.2
155.07101	2.4
155.08575	6.4
156.09438	4.1
157.10144	22.9
159.08063	4.4
159.11714	18.5
161.09668	3.7
161.13258	10.5
163.11214	4.5
163.14833	6.3
165.09132	26.0
165.12733	2.8
168.09380	4.7
169.10129	9.6
170.11018	2.1
170.23805	2.0
171.11732	9.6
173.09637	4.8
173.13255	14.8
174.10435	2.4
175.11206	29.7
175.14871	6.7
177.09184	2.9
177.16406	4.9
181.04967	6.2
181.10117	2.7
182.10930	1.9
183.11681	8.4
185.13263	6.8
187.11243	3.7
187.14832	9.2
189.12770	5.1
189.16466	8.7
191.14252	2.4
195.11700	4.1
196.12456	2.2
197.13280	6.0
199.14854	3.9
201.12794	4.9
201.16428	6.7
203.14368	8.2
203.18018	7.7
205.15897	3.0
207.11781	2.8
207.13872	5.4
208.12576	1.9
209.13300	5.1
209.15288	3.0
211.14851	4.1
213.16391	2.4
215.17999	4.6
217.19310	2.8
219.13802	3.1
221.15378	53.7
225.16452	3.7
227.14548	2.6
229.15958	3.6
229.29416	2.0
231.13863	4.5
233.15370	3.3
234.16164	17.0
239.17955	2.5
241.19583	3.1
253.16032	2.1
255.17456	2.3
257.22571	2.6
267.17493	2.6
269.19083	2.0
287.20065	5.1
300.20795	3.5
317.21506	1.9
329.21225	4.4
341.43741	1.9
391.26196	5.1
391.33743	4.0
409.27371	35.6
409.34607	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	409.2584
Annotation	Dimethamine
Peak:m/z	Relative Intensity
53.03934	2.9
55.01858	2.3
55.05508	15.0
55.99199	0.8
56.81907	0.9
57.03443	7.2
57.07061	3.0
59.04988	3.6
65.03924	3.6
67.05505	100.0
69.03435	1.9
69.07066	12.7
71.01357	1.5
71.05013	4.4
71.08631	1.1
71.56671	0.8
71.57092	1.1
79.05492	30.5
81.03410	2.9
81.07057	34.9
83.01336	2.0
83.04985	6.5
83.08631	6.9
85.06534	4.8
91.05477	24.5
93.07044	35.6
95.04982	6.1
95.08606	22.1
97.06538	5.8
97.10163	5.6
99.04447	1.0
99.08107	2.0
105.07027	15.2
107.04946	2.6
107.07861	1.3
107.08595	26.3
109.06506	2.6
109.10155	58.7
110.10459	1.1
111.08091	3.7
113.09617	2.3
113.60558	0.8
115.05446	1.8
117.07021	8.2
119.08579	19.0
119.15275	0.8
121.06528	2.2
121.10151	10.4
123.04440	1.8
123.08102	1.4
123.11671	3.7
125.09605	2.1
128.06215	2.8
129.07002	7.0
130.07805	2.0
131.08568	21.6
133.06454	1.0
133.10115	9.4
135.08092	1.4
135.11693	35.2
137.05960	3.4
137.09619	4.7
137.13268	2.3
139.07539	1.5
139.11176	2.2
141.05432	3.8
141.07002	1.3
142.07802	1.6
143.08569	11.7
145.10127	19.7
147.08037	1.8
147.11714	4.8
149.09615	1.4
149.13217	4.0
151.07567	1.7
153.05438	3.1
153.12782	1.5
155.07025	12.6
155.08543	4.5
155.10675	3.6
156.09236	1.1
157.10123	9.8
159.11699	8.4
161.09572	1.2
161.13245	3.3
163.11136	4.5
163.14810	2.9
165.09161	1.2
167.03413	4.0
167.07065	8.8
167.08449	1.3
169.10117	2.0
171.11737	8.0
173.09604	1.1
173.10071	1.0
173.11729	17.6
173.13261	3.4
175.07642	1.4
175.14786	2.4
177.09073	0.9
177.16388	2.1
181.04962	20.3
181.08571	1.1
181.10165	2.3
181.12221	5.7
183.11609	1.7
185.13264	3.3
187.07556	1.1
187.14877	6.0
189.09105	1.0
189.16350	4.2
191.07010	2.2
191.17979	1.6
193.08611	3.8
195.11673	2.8
199.14810	3.3
201.16431	4.7
203.17950	2.2
205.08650	5.7
205.15883	1.4
205.19569	1.3
207.10083	2.1
207.17447	1.0
209.13264	1.4
211.14824	2.7
213.16377	5.9
215.17955	2.2
219.13821	1.0
223.09625	1.5
225.16508	0.9
227.17905	1.7
229.08571	1.1
229.14282	0.9
231.10226	2.5
237.16412	5.0
239.17996	1.2
243.21182	0.9
245.11693	2.6
255.17422	8.4
257.04541	1.0
257.11688	1.5
287.00150	0.8
368.77472	0.8
391.22769	2.6
409.26062	33.5
409.34830	10.6
410.25412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99653	0.9
55.05501	2.2
70.84169	0.9
71.08017	1.2
71.08344	1.6
78.01804	1.6
81.07053	1.7
82.07369	0.9
83.08562	1.1
84.04493	2.1
85.02922	1.6
116.01665	3.8
123.04408	1.3
153.01912	1.0
159.08414	1.3
162.02179	3.0
163.02473	2.2
164.01764	1.7
175.14775	1.0
194.84340	1.1
197.10689	1.1
199.08665	1.2
211.08743	5.7
212.09372	2.6
213.10231	3.0
215.11867	1.8
217.09561	2.1
225.06618	1.3
225.10199	3.3
229.09656	1.4
231.11362	1.7
239.08191	7.2
239.11708	5.3
240.08913	3.2
241.09761	4.0
242.10576	1.6
243.07706	2.0
243.11319	7.0
252.09045	1.7
253.09811	8.1
257.04611	1.3
257.09369	2.0
259.10785	3.7
261.10718	2.8
262.11227	4.4
263.11414	2.1
267.07748	1.8
267.11261	5.0
268.08344	7.9
271.10779	30.5
275.10278	2.8
277.11911	3.8
281.09311	2.0
285.08862	2.1
285.12369	6.3
287.13611	1.1
289.11880	1.8
295.10715	5.8
300.10977	1.3
303.09683	1.3
303.13135	1.4
313.11789	8.5
317.11359	2.7
323.10303	8.6
327.13315	2.2
335.12433	2.4
341.11331	17.4
345.14447	2.4
355.12860	3.3
359.12207	2.3
373.13943	15.8
391.14975	22.9
394.40833	1.0
409.16040	100.0
410.16464	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59930	0.6
55.45720	0.6
65.93540	0.5
80.06031	0.5
81.03426	0.7
81.07036	1.2
88.78566	0.5
95.08606	1.2
98.21044	0.5
105.03407	0.7
107.04993	0.7
119.08509	0.5
123.04456	1.2
124.07595	0.8
203.05338	0.7
215.08234	0.6
243.07770	1.3
247.05992	0.8
257.04535	1.2
257.09290	0.7
265.07031	0.6
275.53574	0.5
285.08661	2.4
287.05579	1.3
289.08151	1.0
313.08148	2.3
315.09659	0.8
331.09225	2.4
349.10184	2.6
377.09860	1.1
391.11111	1.2
409.09326	2.5
409.18329	100.0
410.18744	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	409.2375
Annotation	Adunctin A
Peak:m/z	Relative Intensity
52.35472	0.8
53.03942	1.1
55.05525	4.2
57.07069	2.8
65.03924	1.2
65.83611	0.7
66.93050	0.7
67.05508	13.4
69.03445	0.8
69.07064	4.9
71.08636	1.1
71.57752	0.8
71.58130	1.4
74.50742	0.7
79.05067	1.2
79.05499	17.6
81.07063	12.8
81.34894	1.0
83.01339	1.5
84.31918	0.8
91.05482	12.1
93.07053	17.2
95.04955	3.6
95.08615	10.2
97.10175	1.4
98.21314	1.1
105.03365	0.9
105.07029	10.2
107.04984	1.2
107.08598	11.9
109.06490	1.5
109.10168	5.6
111.18863	0.9
117.06995	2.1
119.08588	8.4
121.10146	7.0
123.11665	1.3
129.06966	1.0
131.08563	4.4
133.10158	4.9
135.11711	3.7
135.45535	1.2
143.08543	2.3
145.10088	4.5
147.11713	4.0
149.13290	1.2
151.07491	1.7
153.01799	6.9
153.05577	1.2
155.06967	1.3
157.10135	2.0
159.11693	3.9
161.13239	2.1
163.14864	1.7
167.03436	1.1
167.07062	2.5
171.11742	2.4
173.13286	2.4
177.16423	1.0
177.65172	0.9
179.07010	0.9
181.04971	46.6
183.11725	1.4
185.13136	1.3
187.14821	3.4
187.53238	0.8
189.16454	2.2
191.07053	3.3
191.17976	1.5
203.14311	1.5
207.06499	4.4
213.16367	6.3
219.06529	3.2
220.07262	12.5
221.07968	1.3
227.17870	1.0
229.19614	1.6
231.10168	1.2
233.08107	36.7
233.11617	1.4
234.08800	2.5
239.18222	1.0
245.08092	2.5
247.09770	3.3
255.17566	1.6
259.09677	8.6
261.11224	3.3
273.11166	2.8
275.12897	1.0
287.12659	1.5
289.14328	1.2
315.16000	1.2
329.17383	3.1
341.17557	1.4
343.18979	1.3
353.17303	1.7
367.18942	3.4
381.20502	3.9
391.22699	2.1
391.27914	1.1
409.23724	100.0
409.34619	5.2
410.23987	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	409.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06467	2.3
55.01855	3.4
55.53946	2.1
56.96552	5.6
57.03418	4.3
61.02903	2.3
63.17054	2.1
65.37986	2.2
68.99783	6.7
69.03439	11.7
70.06560	3.4
71.36990	2.3
73.02892	4.2
73.22569	2.6
77.00917	3.8
81.03398	5.8
82.99821	3.5
85.02480	2.2
85.02902	22.7
86.03206	2.5
95.04944	3.8
97.02903	13.0
98.21242	14.0
98.97569	17.1
101.00883	25.0
103.05476	2.4
104.80473	2.0
109.02860	5.3
113.00848	8.0
113.03448	4.7
114.05474	2.3
115.02407	7.7
116.98586	8.6
119.01923	53.2
119.04829	2.5
121.02805	3.0
123.04432	60.9
127.02411	4.9
127.03880	9.4
128.98584	4.8
131.01904	36.8
133.03476	24.8
137.03009	5.3
139.02313	4.1
139.03902	7.1
143.00137	3.3
143.01898	44.3
145.01669	3.0
145.03476	26.4
145.04596	3.9
145.04967	3.4
147.01413	2.6
147.04326	7.4
147.05128	2.6
149.02965	5.4
151.03833	3.7
153.01826	40.2
153.06927	3.2
154.02100	6.5
154.03275	2.8
155.01869	33.8
157.03464	19.5
159.04982	9.9
161.02979	52.8
161.05896	3.5
166.07230	8.3
167.01889	3.6
168.99770	7.8
169.03468	7.8
171.01396	12.6
171.05035	4.8
173.02957	43.0
174.03137	3.2
175.00923	4.2
175.02599	2.6
175.04077	15.5
177.00691	4.6
177.02354	2.7
177.05510	5.2
183.01360	6.2
183.04904	2.9
184.04555	2.4
185.02971	16.4
185.06404	2.8
187.00853	8.3
187.04256	10.3
189.00854	2.5
189.02431	13.3
189.05696	7.0
191.03748	8.0
193.00026	3.3
193.04941	18.4
197.02940	9.3
197.05905	2.5
199.00800	10.2
199.02562	3.3
199.04445	5.6
201.02480	12.0
201.05974	10.9
203.03500	27.8
205.03734	2.8
205.05753	3.1
211.00937	3.8
211.04451	4.6
213.02373	12.6
213.05521	3.7
215.00307	10.5
215.03619	11.5
215.07352	2.5
217.01996	13.0
217.03668	4.1
217.05420	4.0
219.01613	3.5
219.03435	8.9
221.05045	15.3
225.02426	5.4
225.05826	3.3
227.00412	3.9
227.03862	7.5
229.01880	6.6
229.05063	14.8
231.03531	21.4
233.01366	2.5
233.04994	5.2
237.02721	5.6
237.05496	4.8
237.56029	3.1
238.06183	4.3
239.06189	5.2
241.01894	2.6
241.05270	2.8
243.03571	4.4
243.06293	3.2
245.04910	48.6
247.02870	6.5
247.06601	3.2
249.04567	2.7
251.06996	3.3
255.06403	3.8
257.04532	30.8
258.05063	6.6
259.02942	10.8
259.06290	8.7
263.06107	6.7
269.04489	3.2
271.03204	3.8
271.06000	17.4
275.02332	6.9
275.05615	3.2
277.03552	7.9
283.06018	22.6
287.05524	77.0
289.04047	54.8
291.09259	17.9
292.09875	2.3
297.07391	4.6
299.05505	12.1
301.04111	31.7
303.01315	2.5
303.09225	3.5
305.07031	3.9
307.05118	46.3
309.10104	2.5
315.05685	3.0
317.03421	2.7
319.05133	15.1
330.06610	3.3
333.06665	5.5
337.06039	2.9
349.06036	2.9
349.09894	3.7
373.05930	3.5
377.05228	3.2
391.07330	6.4
409.09009	100.0
410.09302	5.2
427.01337	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	408.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
54.45050	2.3
55.05515	14.0
57.07078	100.0
58.07410	19.7
67.05504	14.4
68.05856	2.5
69.07073	24.4
69.52538	3.1
69.52953	11.9
70.07410	5.0
71.08637	7.4
79.05499	6.8
81.07057	28.8
82.07391	6.4
83.01357	18.0
83.08628	12.4
83.38264	2.0
84.01708	2.7
84.08920	2.3
85.02903	2.9
85.06545	57.4
86.06886	10.7
89.06030	59.5
90.80208	1.8
91.05488	5.0
93.07050	9.5
93.16831	1.9
94.07405	3.3
95.04991	2.9
95.08620	31.5
96.08930	11.0
97.06628	2.0
97.10167	3.5
98.10540	1.9
98.21039	8.1
101.02368	2.9
105.07030	6.7
106.07337	2.3
107.07099	3.1
107.08600	8.3
108.08902	3.7
109.10156	18.0
110.10487	7.1
111.11640	3.0
113.02377	3.9
119.08598	8.1
121.10151	6.9
122.10478	2.2
123.08083	3.4
123.11700	13.1
124.12084	4.9
125.05984	6.2
127.03913	12.5
127.11185	3.1
128.04243	5.1
129.05490	4.1
131.08572	3.3
133.08618	25.2
133.10156	6.3
134.10474	2.8
135.11699	6.8
137.06001	6.4
137.09650	2.5
137.13283	4.0
138.10034	2.2
138.13625	3.4
139.05789	2.3
143.08482	2.5
145.10146	2.4
147.11722	3.5
151.07588	9.3
151.09694	4.3
152.07922	5.5
158.10536	2.6
159.11633	3.0
160.12117	2.1
165.09102	6.8
166.09439	6.2
168.11081	2.5
169.08664	3.8
177.11230	3.8
179.10727	3.0
181.05008	4.9
183.10199	9.3
184.10536	4.2
193.12367	2.0
194.12724	3.5
195.12292	71.6
197.11783	4.5
198.12144	3.4
210.15303	2.0
211.13390	5.8
212.13591	2.9
226.15269	5.7
233.07858	2.3
236.17250	2.4
239.16458	6.8
240.16801	8.0
253.18011	5.4
254.18282	13.4
255.15912	3.5
256.16635	3.5
267.19684	3.8
268.19858	10.6
306.25018	4.3
323.25754	10.3
324.26175	42.3
334.24524	6.3
390.30887	17.0
408.31934	63.1
408.36978	6.8
409.23645	15.5
413.15323	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	408.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01870	0.6
55.05507	0.8
57.03429	1.0
69.03433	4.7
69.70547	4.1
71.04965	0.6
74.45454	0.5
78.03459	10.9
80.05025	3.5
80.35157	0.6
81.03420	15.9
85.02895	6.0
91.05473	0.9
96.04513	3.6
97.02901	3.8
98.20685	0.7
98.21254	2.1
99.04469	2.5
106.02923	39.1
109.02885	67.8
111.04447	1.6
124.03959	100.0
125.04300	1.0
127.03925	6.1
141.05473	24.5
141.06538	1.4
153.01817	0.8
166.04875	0.8
169.05124	0.6
184.14008	0.7
200.39317	0.7
232.06029	1.3
244.40697	0.6
246.11562	0.8
250.07115	20.6
251.07535	0.8
252.08432	0.8
256.07870	0.8
262.73972	0.7
268.08167	54.7
269.08752	1.0
270.09595	2.3
274.08984	0.8
280.08127	1.2
294.09634	0.9
298.09033	2.4
316.10120	1.0
334.11203	0.9
340.10092	1.6
372.12732	1.3
390.13705	4.9
408.12823	10.9
409.09244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
69.03427	5.4
71.57262	1.9
71.57697	2.6
72.04503	6.1
73.06547	1.9
74.64046	1.4
81.03387	3.6
85.02901	8.7
91.05498	3.3
97.02893	4.4
105.07064	3.7
107.05011	1.7
109.02883	7.7
114.05527	18.1
119.04935	2.7
120.01051	1.7
122.03612	1.5
123.04465	2.6
123.08064	1.7
127.03926	4.6
132.06537	1.7
137.05984	100.0
147.04396	8.6
151.03871	1.8
151.07547	4.4
153.01845	9.6
156.04796	4.7
167.07043	12.6
179.07056	6.0
193.08601	1.8
205.63145	1.6
211.09671	81.7
218.08527	3.8
228.03168	2.3
246.04483	3.6
246.07697	2.7
287.05606	2.3
315.07288	1.9
391.99213	1.5
408.15823	8.5
409.09485	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44806	3.5
55.05491	6.9
65.66666	3.1
67.05495	8.7
69.03454	3.4
69.07053	12.6
71.04982	4.1
71.16161	3.7
72.89951	3.6
77.73448	4.1
79.05499	3.6
81.07042	14.0
83.08618	6.3
85.02879	6.6
85.06547	4.3
91.05485	3.9
93.07040	12.3
95.08590	14.5
97.02898	4.2
97.06509	8.0
98.21422	3.1
105.07017	10.6
107.08582	16.3
109.06503	10.4
109.10156	25.4
111.08070	4.0
119.08573	14.7
121.10073	5.1
123.08017	4.7
123.11679	18.7
133.10129	36.2
134.34081	4.0
134.59758	3.2
135.11688	29.0
135.58916	3.2
136.28645	3.4
137.06061	4.5
137.09581	5.7
147.11678	4.2
149.13287	9.0
153.12675	4.3
167.07011	3.5
167.28557	3.1
175.14835	48.0
177.16359	4.7
193.15894	46.5
209.63837	3.7
211.16949	100.0
229.14285	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	408.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.07063	15.3
62.20103	3.4
67.05495	15.2
69.07059	13.9
70.07417	3.3
70.25197	6.6
70.25578	8.3
71.08616	15.4
71.94692	3.3
72.28767	3.7
79.05495	6.0
81.07063	21.1
83.08614	4.9
91.05460	3.9
93.07034	12.8
95.08606	16.3
96.94406	3.4
97.10155	4.7
98.21097	6.5
105.07042	9.4
105.78615	3.1
107.08568	13.5
109.10152	12.6
117.07033	5.0
119.08572	8.3
121.10145	10.3
123.08069	3.1
123.11695	7.6
131.08586	9.6
131.40076	3.3
133.10088	6.3
135.07953	4.0
135.11678	7.5
141.05467	99.7
141.12730	19.9
143.08606	5.0
143.57312	4.2
145.10118	10.1
147.11623	5.0
153.01848	7.5
153.12773	3.7
154.02048	4.1
157.10072	3.6
159.11665	14.0
162.13716	3.4
166.02303	3.5
167.03410	100.0
171.11668	3.8
177.16463	5.6
179.14301	3.6
181.04973	6.6
181.15810	7.1
185.13289	4.8
187.14771	5.5
189.16281	5.4
201.16356	12.4
213.16415	4.2
223.09647	14.2
271.64352	4.2
295.99222	4.4
345.20871	4.0
363.21643	29.1
409.23935	3.3
409.34784	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
54.45050	2.3
55.05515	14.0
57.07078	100.0
58.07410	19.7
67.05504	14.4
68.05856	2.5
69.07073	24.4
69.52538	3.1
69.52953	11.9
70.07410	5.0
71.08637	7.4
79.05499	6.8
81.07057	28.8
82.07391	6.4
83.01357	18.0
83.08628	12.4
83.38264	2.0
84.01708	2.7
84.08920	2.3
85.02903	2.9
85.06545	57.4
86.06886	10.7
89.06030	59.5
90.80208	1.8
91.05488	5.0
93.07050	9.5
93.16831	1.9
94.07405	3.3
95.04991	2.9
95.08620	31.5
96.08930	11.0
97.06628	2.0
97.10167	3.5
98.10540	1.9
98.21039	8.1
101.02368	2.9
105.07030	6.7
106.07337	2.3
107.07099	3.1
107.08600	8.3
108.08902	3.7
109.10156	18.0
110.10487	7.1
111.11640	3.0
113.02377	3.9
119.08598	8.1
121.10151	6.9
122.10478	2.2
123.08083	3.4
123.11700	13.1
124.12084	4.9
125.05984	6.2
127.03913	12.5
127.11185	3.1
128.04243	5.1
129.05490	4.1
131.08572	3.3
133.08618	25.2
133.10156	6.3
134.10474	2.8
135.11699	6.8
137.06001	6.4
137.09650	2.5
137.13283	4.0
138.10034	2.2
138.13625	3.4
139.05789	2.3
143.08482	2.5
145.10146	2.4
147.11722	3.5
151.07588	9.3
151.09694	4.3
152.07922	5.5
158.10536	2.6
159.11633	3.0
160.12117	2.1
165.09102	6.8
166.09439	6.2
168.11081	2.5
169.08664	3.8
177.11230	3.8
179.10727	3.0
181.05008	4.9
183.10199	9.3
184.10536	4.2
193.12367	2.0
194.12724	3.5
195.12292	71.6
197.11783	4.5
198.12144	3.4
210.15303	2.0
211.13390	5.8
212.13591	2.9
226.15269	5.7
233.07858	2.3
236.17250	2.4
239.16458	6.8
240.16801	8.0
253.18011	5.4
254.18282	13.4
255.15912	3.5
256.16635	3.5
267.19684	3.8
268.19858	10.6
306.25018	4.3
323.25754	10.3
324.26175	42.3
334.24524	6.3
390.30887	17.0
408.31934	63.1
408.36978	6.8
409.23645	15.5
413.15323	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05511	22.3
57.07077	17.3
60.70029	2.5
66.36340	2.5
67.05507	36.1
69.06715	4.7
69.07069	61.8
70.06592	3.2
71.08606	5.6
71.57958	4.2
79.05495	19.0
81.07060	100.0
83.08604	18.9
85.10175	4.6
89.06027	2.9
91.05485	18.2
93.07054	32.0
95.04972	4.7
95.08609	76.8
95.23709	2.1
97.10156	11.0
105.07043	30.2
107.08603	42.5
109.10155	52.0
111.11720	3.8
117.07031	6.2
119.08574	39.1
119.70744	2.5
121.10153	35.6
123.11723	25.6
125.15475	2.5
131.08575	16.7
133.10132	25.2
135.11702	22.3
137.13287	11.6
141.10258	5.0
143.08562	11.5
144.09354	3.0
145.10121	32.0
147.11710	23.1
149.13261	17.5
155.08623	3.1
156.09290	3.8
157.10127	17.9
159.11691	31.1
161.13261	20.6
163.14818	8.4
169.10106	3.4
170.10954	4.3
171.11702	10.3
173.13277	18.9
175.14818	13.7
177.16412	6.5
183.11656	3.1
185.13316	12.2
187.14816	19.5
189.16393	11.0
191.18044	3.0
197.13277	4.2
199.14803	14.4
201.16397	12.0
203.17963	5.5
213.16406	9.9
215.17981	10.2
217.19524	3.4
225.16399	3.9
227.17937	14.9
229.19563	7.0
239.17957	4.7
241.19579	7.5
243.21219	3.9
255.21039	5.0
257.22687	5.5
259.24246	3.3
269.22754	7.5
283.24265	4.8
295.24042	2.6
297.25702	3.8
299.27286	2.4
323.27478	5.1
325.29028	5.0
337.29037	3.9
351.30411	4.6
365.32141	3.1
407.22092	3.3
407.36758	98.6
408.36765	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	407.3519
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05519	16.5
57.07079	20.4
65.03917	2.7
67.05495	21.5
69.03425	17.5
69.07072	26.6
70.18575	7.2
71.08635	16.5
74.67613	2.1
79.05509	12.4
81.07056	44.9
83.08630	13.5
85.10187	8.0
88.24879	2.1
89.06010	7.3
91.05469	9.5
93.07063	16.0
95.04978	6.5
95.08620	33.0
97.06537	3.3
97.10172	9.0
98.21014	5.0
105.07035	13.7
107.08582	15.6
109.06518	5.9
109.10155	22.0
111.11703	4.2
111.96877	2.4
119.08566	12.6
121.10140	11.7
123.04443	27.9
123.08080	4.1
123.11678	9.2
125.06000	8.5
130.78336	2.6
131.08549	3.6
133.08586	5.1
133.10117	8.9
135.11655	5.9
137.05986	9.2
137.09615	7.7
137.13148	3.2
139.07567	3.0
141.05479	11.5
145.10130	5.5
147.11668	10.2
149.13237	8.3
151.07518	8.1
151.11205	5.2
161.13283	3.8
162.96559	2.2
163.14879	3.5
165.09048	5.4
165.12729	4.5
167.10481	2.9
179.10703	6.0
181.04985	3.3
181.12271	2.3
182.05217	2.7
187.14780	3.5
189.16399	4.0
193.12244	5.5
195.13838	3.1
201.16342	2.7
207.13655	3.7
217.19458	2.4
234.36926	2.6
343.33502	4.4
361.34583	7.8
389.34180	53.1
407.22067	6.7
407.35263	100.0
408.35898	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.7
57.07072	28.3
59.16975	2.4
59.79348	2.3
65.03933	3.2
67.05167	3.4
67.05502	39.7
69.03436	15.7
69.07066	46.5
69.58377	15.8
71.08640	18.5
71.34776	2.8
72.16157	2.3
79.05494	21.1
81.07059	82.2
83.08630	17.1
85.10173	8.3
89.06023	5.6
91.05473	9.7
91.91322	2.4
93.07052	26.6
95.04950	7.8
95.08605	57.6
97.10175	12.9
98.21074	10.1
99.04430	3.5
101.25973	2.8
105.07039	27.5
107.08613	29.4
109.06544	6.4
109.10155	38.8
111.11736	5.7
119.08578	29.0
120.99165	3.0
121.06517	3.1
121.10149	24.1
123.04436	29.1
123.08048	9.9
123.11694	22.8
125.05985	10.7
129.07074	3.3
131.08559	7.4
133.10115	19.4
135.11722	15.1
137.05977	10.2
137.09621	6.3
137.13234	7.2
139.07538	6.1
140.47800	2.6
141.05469	10.2
141.67152	2.5
143.08530	3.6
145.10146	14.0
147.11687	19.2
149.13272	12.8
151.07558	9.2
151.11183	7.3
153.09056	3.7
155.06972	3.2
156.38232	2.6
157.10127	5.0
159.11673	13.0
161.09692	3.4
161.13271	9.9
163.14839	7.2
165.09081	8.6
165.12804	4.8
167.10718	4.1
171.11731	3.3
173.13260	6.1
175.14819	9.5
177.16426	5.3
179.10652	6.0
181.12245	3.5
185.13290	5.2
187.14810	9.2
189.16389	12.3
191.17960	5.5
193.12201	7.1
195.13872	3.4
199.14833	3.2
201.16382	5.0
203.17924	4.8
213.87978	2.6
215.17986	7.9
217.19469	4.1
221.19028	3.2
229.19460	3.3
271.14746	2.6
313.28748	2.8
361.34702	7.0
371.32938	5.0
377.17636	2.7
378.01688	3.8
385.20413	3.0
389.34143	46.9
407.35504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
53.33714	2.0
55.05518	15.3
57.07058	7.4
61.32700	2.0
67.05505	24.8
69.06725	3.7
69.07069	52.7
70.76028	2.4
70.76401	6.1
74.59603	1.9
77.57625	2.1
77.96265	1.8
79.05491	16.8
81.07056	89.0
83.08615	16.4
91.05490	10.6
93.07043	26.0
95.04970	2.0
95.08606	64.8
97.10152	7.5
98.21352	2.4
105.07029	32.2
105.38776	1.9
107.08592	36.9
109.06555	2.5
109.09449	3.4
109.10156	46.6
111.11732	3.0
116.81490	2.0
117.07001	6.2
119.08576	36.8
121.09320	2.4
121.10136	33.2
123.11704	25.9
129.06984	2.5
131.08585	17.3
133.10117	23.8
135.11687	21.9
137.13235	12.6
143.08591	5.9
144.09315	2.9
145.10120	23.7
147.11676	23.1
149.13234	16.6
151.14813	3.4
156.09392	3.0
157.10156	10.3
159.11682	26.3
161.13243	20.6
163.14818	9.0
171.11687	11.2
173.13249	20.9
175.14838	11.9
177.16376	8.7
183.11749	4.7
185.13245	13.0
187.14861	14.0
189.16409	10.8
191.17935	3.8
197.13264	5.5
199.14845	5.9
201.16377	8.8
203.17963	8.3
205.19574	3.3
211.14671	2.9
213.16342	6.7
215.17923	11.7
217.19479	2.5
225.16415	4.2
227.17963	11.4
229.19524	11.0
231.21104	3.3
239.17848	3.1
241.19511	4.7
243.21100	3.1
253.19550	2.4
255.21071	4.3
257.22601	8.7
269.22668	7.1
281.22549	4.3
283.24112	6.9
285.25839	2.3
297.25775	4.6
299.27432	2.5
325.28940	5.6
328.17703	2.6
337.28726	5.8
351.30380	4.5
407.36719	100.0
408.36990	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01851	1.1
55.05509	9.6
55.78449	0.9
56.96553	1.1
57.03422	1.5
57.07061	2.3
65.03947	1.0
67.05169	1.1
67.05501	19.7
69.03429	4.8
69.07069	14.3
71.04990	2.0
79.05491	14.2
81.07056	44.0
83.04980	7.1
83.08609	6.4
85.06530	2.2
91.05480	16.7
93.07046	36.0
95.04962	3.1
95.08607	53.0
97.06521	2.0
97.10138	2.6
98.21272	4.6
98.97570	5.3
99.08102	1.1
103.05482	1.3
105.07027	48.7
107.08591	47.1
109.06534	4.9
109.10150	32.7
111.08070	3.8
115.05444	2.0
116.98637	2.1
117.07021	7.2
119.08579	51.6
121.06571	1.7
121.10139	42.7
123.08051	2.5
123.11712	18.0
125.09634	7.9
125.83211	0.9
128.06230	2.5
128.20871	0.9
129.07007	7.8
130.07759	2.2
131.08568	29.1
133.10129	34.2
135.08044	2.9
135.11693	17.7
137.09596	3.5
137.13231	3.1
141.06996	2.2
142.07758	3.5
143.08565	25.2
144.09392	1.7
145.10123	48.3
147.11685	18.2
149.09583	1.7
149.13246	20.6
151.11160	4.8
155.08546	5.1
156.09328	2.6
157.10124	18.8
158.10973	4.3
158.99646	3.2
159.11681	26.3
161.09663	1.3
161.13252	12.6
163.11165	1.6
163.14821	16.9
165.12749	1.9
167.07051	1.3
169.10127	5.8
170.10899	1.8
171.11702	13.3
172.04150	0.9
172.12450	2.8
173.13266	32.8
175.11200	3.4
175.14836	20.6
177.00691	3.6
177.12779	2.1
177.16379	16.0
178.04663	0.9
181.10081	1.9
182.10832	1.2
183.11679	5.2
185.13246	11.9
186.14014	1.1
187.14815	69.1
188.15089	1.3
189.12802	1.6
189.16374	21.1
191.14313	7.7
191.17981	3.6
193.15834	1.5
195.11757	2.8
197.13257	6.4
198.75047	1.0
199.14818	19.2
201.12694	1.4
201.16376	22.3
203.14316	4.6
203.17952	13.1
205.15909	4.1
207.17496	1.4
211.14764	5.7
213.16376	36.8
214.17059	3.9
215.14476	1.8
215.17953	23.7
217.15921	6.3
217.19543	4.1
219.01587	1.4
219.17456	1.7
223.14861	4.3
225.16376	6.3
227.17978	9.2
229.15846	4.3
229.19469	4.5
231.17468	3.8
231.21169	1.3
233.18970	3.1
237.16368	3.5
239.18034	5.1
241.19525	10.0
242.20367	1.0
243.17499	2.2
243.21068	6.8
245.15553	0.9
245.18918	1.0
251.18001	3.4
253.19473	4.4
255.21074	8.6
256.21808	1.0
257.18985	2.6
259.20648	1.1
263.17990	1.3
265.19504	1.7
267.21085	13.2
269.18976	1.5
269.22641	3.2
279.21069	2.9
281.22705	4.1
283.20560	5.6
283.24039	2.0
293.22675	2.7
295.24100	1.6
297.22220	1.8
297.25467	1.0
303.21332	0.9
307.24188	1.5
311.23544	4.6
319.24039	1.6
333.25711	1.6
337.25223	2.8
347.27240	1.3
350.91766	1.1
351.26678	1.7
361.28799	1.0
367.93732	0.9
379.33655	2.2
389.32022	19.1
407.33081	100.0
408.33374	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.4
57.07063	3.2
62.36661	1.1
65.03923	1.2
67.05505	19.2
69.03435	3.0
69.07070	12.7
69.25404	7.7
69.25832	3.6
71.08658	1.2
77.03934	1.5
77.90868	1.2
79.05495	14.3
81.07062	41.7
83.04976	4.0
83.08623	5.6
85.06549	2.1
89.37328	1.0
91.05482	17.6
93.07049	31.4
95.04970	5.8
95.08607	53.8
97.06507	2.9
97.10197	5.2
98.20963	5.3
99.08098	1.9
103.05473	2.2
105.07034	44.0
107.07861	2.1
107.08596	44.2
109.06544	6.1
109.10159	31.3
111.08090	4.5
111.11745	2.0
115.05396	1.5
115.73895	1.1
116.06213	1.4
117.07047	7.9
119.08588	41.1
120.13275	1.2
121.06453	1.4
121.10143	32.2
123.08072	3.4
123.11720	14.9
125.09666	8.0
127.03915	1.4
128.06223	2.1
129.06981	7.0
130.07829	1.9
131.08583	26.6
133.10130	31.0
133.11072	2.1
135.08040	1.8
135.11694	12.2
137.09610	4.4
137.13287	3.2
139.11166	2.1
141.06976	2.3
142.07793	3.6
143.08565	18.2
144.09358	2.3
145.10121	45.9
147.11685	20.4
149.09637	1.7
149.13269	16.9
151.11217	3.2
155.08565	4.3
156.09335	3.4
157.10114	15.6
158.10902	3.2
158.91591	1.1
159.11697	23.8
161.09569	2.5
161.13278	14.5
163.11208	1.2
163.14821	16.8
165.12759	1.9
169.10129	7.7
170.10860	2.0
171.11685	15.1
173.09558	1.5
173.13268	22.1
175.11276	1.2
175.14836	17.9
177.12842	1.5
177.16408	11.6
181.10129	2.6
183.11690	8.0
184.12444	1.7
185.13261	10.6
187.14833	60.2
188.15150	1.8
189.12781	2.3
189.16376	21.4
191.14342	4.3
191.17982	4.4
193.15858	1.3
195.11719	2.5
196.12535	1.0
197.13266	7.1
199.14819	13.8
200.15382	1.1
201.12761	1.5
201.16388	17.3
203.14299	3.1
203.18013	8.9
205.15906	3.7
206.38673	1.2
209.13275	4.0
211.14830	6.3
213.16414	24.3
215.14377	2.2
215.17940	14.5
217.15889	10.4
217.19565	3.7
219.17558	1.3
223.14948	2.4
225.16397	6.5
227.18005	10.7
229.15947	2.1
229.19553	4.6
231.17441	4.7
231.21208	1.2
233.19057	4.5
237.16408	3.6
239.17841	6.1
239.79860	1.1
241.19466	9.1
243.17415	2.6
243.21059	6.9
251.17949	2.5
253.19496	6.9
255.21065	9.0
257.18936	1.2
265.19479	2.9
267.21182	9.9
269.18939	1.4
269.22571	1.9
271.20645	1.4
279.21124	3.8
281.22708	3.8
283.20712	3.1
283.24222	2.0
293.22687	4.0
297.22220	2.0
309.54114	1.3
311.23737	8.2
319.24109	1.8
333.25845	1.7
337.25330	2.4
347.27603	1.4
349.28928	4.0
379.33591	1.5
387.43008	1.2
389.32022	16.6
407.21841	5.9
407.33105	100.0
408.33350	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	407.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
55.01874	2.6
55.05518	13.4
57.03438	2.1
57.07079	100.0
67.05505	15.4
69.03439	1.2
69.07072	27.2
71.05005	1.9
71.08639	4.2
71.57954	1.2
72.08127	0.9
76.12386	0.8
79.05486	6.3
81.07062	34.4
83.01348	15.7
83.04989	3.1
83.08625	11.5
85.02921	3.7
85.06547	60.9
85.10194	2.8
89.06050	1.5
91.05479	4.0
92.66359	1.1
93.07059	10.8
95.04973	3.0
95.08614	36.5
97.06547	2.3
97.10175	8.5
99.08113	1.5
101.02387	3.1
105.07033	7.2
107.04952	1.7
107.08606	9.6
109.02901	3.4
109.06548	4.4
109.10165	22.0
111.04454	1.8
111.08127	1.7
111.11730	4.2
113.02373	2.7
115.03915	1.3
116.40544	1.0
117.07048	1.8
119.08593	8.8
121.06532	2.4
121.10172	7.3
123.08091	4.9
123.11735	13.1
125.05990	8.6
125.09602	1.2
127.03928	20.7
127.05476	1.0
127.11186	2.4
129.05489	2.8
131.08612	3.1
133.10117	6.0
135.08063	2.6
135.11697	5.0
137.05978	8.4
137.09660	4.0
137.13246	8.7
139.07571	1.9
141.05452	1.6
143.08580	1.2
143.68211	0.9
145.10144	4.0
147.08095	1.2
147.11734	4.2
149.09700	1.6
149.13249	5.6
151.07587	7.9
151.11249	3.0
151.14868	3.3
155.07033	1.2
159.11703	4.7
161.09616	2.7
161.13287	3.5
163.11211	1.0
163.14853	3.4
165.09123	9.1
165.12769	2.6
165.16409	1.6
167.10675	2.3
168.09277	0.9
169.08667	4.2
171.11607	1.3
173.13275	2.3
175.14874	3.3
177.09137	2.3
177.12730	1.1
177.16423	1.8
179.10695	7.1
179.14360	1.4
181.05020	2.3
183.10168	13.9
187.14893	1.7
189.16458	3.1
193.12210	2.6
193.15977	1.9
195.10181	1.2
197.11752	9.0
201.16466	2.0
205.19600	1.6
207.13802	2.3
207.21259	1.5
211.13257	7.8
213.16412	1.1
217.19624	1.2
221.15334	2.4
223.13329	1.2
225.14861	9.6
231.20990	1.1
235.16914	2.5
237.14839	2.0
239.16411	13.7
243.21214	1.3
251.16479	2.1
253.17960	17.5
255.15965	5.1
265.08704	0.9
265.18143	1.2
267.19528	13.1
269.17538	5.2
269.22763	1.3
272.07840	1.1
281.21198	2.6
281.28351	1.5
287.32675	1.1
305.24823	3.0
307.22815	3.0
323.25824	46.0
333.24277	7.4
350.23254	1.1
371.29657	1.5
389.30417	13.4
389.34637	1.3
401.44690	1.0
407.22464	3.7
407.31653	60.6
407.36777	9.7
408.31900	1.8
415.62192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01874	2.1
55.05505	12.4
57.07069	3.1
57.90588	1.4
65.03925	1.9
65.18182	1.3
67.05502	19.2
67.65855	1.3
69.03415	3.6
69.07066	14.4
70.76138	3.8
79.05491	15.4
81.07059	42.7
83.04982	5.4
83.08611	7.1
89.50982	1.4
91.05473	14.4
93.07048	33.8
95.04971	3.3
95.08611	54.6
97.06561	2.0
97.10161	1.8
98.21235	1.9
99.08118	1.8
105.04539	1.8
105.07032	46.2
107.08596	51.3
109.06544	2.2
109.10164	38.2
111.08099	2.0
117.07024	6.3
119.08583	59.3
119.73245	1.5
121.06565	2.4
121.10145	37.6
123.08089	5.0
123.11713	15.1
125.09623	7.8
128.06252	2.8
129.06993	7.8
131.08566	29.1
133.10133	33.8
135.11708	15.8
137.09615	3.1
137.13263	3.4
142.07733	3.2
143.08549	25.4
144.09361	2.9
145.10132	54.5
147.07967	1.7
147.11684	17.2
149.13240	14.4
151.11179	4.1
153.27460	1.5
155.08525	3.4
156.09349	2.5
157.10146	16.1
158.10898	3.7
159.11691	28.7
161.13264	11.4
163.14856	14.3
169.10138	7.5
170.10797	2.4
171.11691	14.5
172.12427	2.9
173.13277	30.8
175.11147	2.1
175.14801	18.8
177.16368	10.1
181.10210	2.6
182.10934	1.6
183.11722	6.9
185.13214	13.2
187.14825	77.6
188.15224	2.1
189.16379	15.6
191.14305	9.4
191.17870	2.2
195.11775	3.7
197.13277	6.7
199.14856	15.1
201.16376	19.5
203.14366	1.8
203.17989	5.3
205.15846	5.1
207.17529	1.8
209.13258	3.2
211.14836	8.5
212.15286	1.8
213.16377	31.5
215.17924	26.5
217.15938	5.1
217.19437	3.7
219.17476	1.8
223.14807	2.8
225.16406	4.9
227.17982	7.9
229.15843	3.4
229.19466	3.0
233.18991	3.9
237.16487	2.5
239.17824	3.1
241.19562	11.5
243.17531	3.9
243.21121	7.1
251.17877	3.3
253.19510	3.7
255.21007	9.4
257.19131	1.8
263.17773	1.5
265.19522	2.8
267.21136	10.3
269.18976	1.9
269.22601	2.4
279.21021	2.8
281.22720	4.1
283.20483	2.0
293.22650	2.6
295.24323	2.2
311.23645	7.6
337.25174	3.4
349.29193	2.5
379.33752	2.0
389.31995	17.5
407.33075	100.0
408.33212	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	407.3155
Annotation	3-(3,4-dihydroxyphenyl)propyl palmitate
Peak:m/z	Relative Intensity
53.03931	2.1
55.01863	3.3
55.05512	12.1
55.30682	1.1
57.03425	1.2
57.07079	100.0
61.38644	1.1
64.81358	1.1
65.99927	1.1
66.69677	1.0
67.05506	11.3
69.03426	1.4
69.06715	1.7
69.07068	22.3
69.88570	5.6
71.04984	1.8
71.08620	4.7
79.05487	5.6
79.34644	1.0
81.03426	1.3
81.07063	28.4
83.01336	15.9
83.04955	1.3
83.08624	12.5
85.02908	4.3
85.06546	55.3
85.10176	3.2
91.05465	3.4
93.07055	9.3
95.04978	3.0
95.08048	2.0
95.08613	32.6
97.06512	2.0
97.10175	8.0
98.21426	1.5
101.02390	3.0
105.07059	6.4
107.04960	2.0
107.08620	9.2
109.02867	4.5
109.06506	4.7
109.10165	20.3
111.04433	2.1
111.08033	1.7
111.11704	2.8
113.02357	3.2
113.15594	1.1
115.03888	1.9
115.75650	1.1
117.07015	1.6
119.08592	7.3
121.06485	2.1
121.10141	7.6
123.04385	2.5
123.08061	5.1
123.11703	11.9
123.70589	1.1
125.06026	9.4
127.03925	24.6
129.05479	1.6
131.08511	1.4
133.06444	1.1
133.10103	4.8
135.08104	1.5
135.11671	5.1
137.05986	6.3
137.09587	5.3
137.13271	7.6
139.07568	2.1
141.05498	1.4
145.10120	2.1
147.11688	3.7
149.09648	1.5
149.13290	1.4
151.07594	8.3
151.11203	2.4
151.14787	2.1
153.09100	2.3
155.07013	1.9
159.11688	2.9
161.09621	2.7
161.13252	1.2
163.14880	2.6
165.09109	10.7
165.16460	1.6
167.10684	1.5
169.08615	3.3
173.13161	1.3
175.11172	2.0
175.14856	1.4
177.09177	1.6
179.10667	5.8
181.12184	1.6
183.10190	15.0
189.16348	1.7
192.64069	1.1
193.12277	4.8
197.11739	8.7
207.13808	2.5
211.13264	7.6
219.13716	1.2
221.15395	1.8
225.14848	11.3
225.22235	2.1
235.16875	1.7
239.16452	10.3
249.18657	1.6
251.16379	2.9
253.17987	14.7
253.21686	1.4
255.15918	4.3
267.19495	11.7
269.17432	4.1
281.21146	3.0
281.28412	1.6
305.24646	2.8
307.22800	1.9
323.25784	44.0
324.26007	1.9
333.24271	8.1
343.29965	2.1
361.30814	1.6
380.82776	1.5
389.30212	14.2
389.34161	2.0
407.31470	61.7
408.31912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2792
Annotation	Tritoniopsin A, rel-
Peak:m/z	Relative Intensity
53.03944	3.4
55.01876	1.0
55.05511	9.0
57.07066	1.7
65.03928	0.6
67.05503	6.1
69.03429	1.2
69.07070	7.1
71.04993	0.5
71.19277	1.0
79.05493	4.9
81.03401	1.5
81.07063	4.2
83.00883	0.8
83.01340	8.7
83.04973	1.7
83.08613	3.9
91.05489	2.8
93.07063	3.7
95.04955	1.6
95.08604	3.4
97.02897	1.4
97.06548	0.9
97.10167	2.0
99.04456	0.5
105.07033	2.8
107.04986	2.8
107.08615	2.8
109.02842	0.4
109.06523	1.7
109.10159	1.5
115.03938	0.8
117.07043	0.7
117.45907	0.5
119.08583	1.8
121.06508	1.0
121.10123	1.9
123.08044	0.7
123.11703	1.0
125.06010	0.6
125.09636	1.1
127.03876	0.6
129.01807	4.1
131.08566	1.4
133.10144	1.7
135.04416	8.1
135.11722	0.7
137.06000	0.7
139.03885	0.6
143.08600	0.7
145.10185	2.6
147.08081	1.0
147.11607	0.7
149.05901	0.6
151.07501	0.6
151.11021	0.5
153.01823	0.6
153.05458	5.7
157.10130	0.8
159.11713	0.9
161.13219	0.6
163.03914	1.4
163.11221	0.7
163.14864	0.6
167.07109	0.7
169.10211	0.5
171.11652	0.7
173.13295	0.8
175.11211	0.8
181.04951	15.7
183.06564	1.1
185.13184	0.5
187.14830	1.1
195.06537	15.2
195.08231	1.0
195.11575	0.5
197.13177	0.5
199.06018	38.1
199.14841	0.6
207.06531	1.2
209.08084	7.9
221.08052	1.1
222.07629	1.0
223.09633	7.4
235.09656	1.4
237.11192	5.8
249.11176	2.8
251.12798	3.6
251.24283	0.5
253.19508	0.6
263.12808	1.3
265.14304	2.9
279.16010	1.2
285.10077	0.8
291.15912	0.5
293.17520	2.1
307.19125	1.9
319.19159	1.5
321.20789	0.8
377.26910	3.2
389.22412	0.9
389.26901	6.9
407.27945	100.0
408.28323	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	407.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27242	0.7
55.05513	3.0
67.05515	5.1
69.03425	1.1
69.07055	2.9
69.93039	2.3
76.30296	0.5
79.05491	2.9
80.45044	0.6
81.03432	0.8
81.07063	8.7
83.04961	1.1
83.08619	1.2
85.06541	0.8
91.05474	3.0
93.07047	4.7
95.04967	1.1
95.08611	11.8
97.06531	0.8
97.10162	1.5
98.20775	0.8
98.21354	1.4
105.07048	5.0
107.04946	0.9
107.08589	2.7
108.05736	0.8
109.02896	0.8
109.06524	1.3
109.10175	4.7
111.04435	0.8
111.08065	1.0
117.07008	1.3
119.08555	3.6
119.88142	0.7
121.06516	1.7
121.10151	2.8
123.08062	10.6
123.11687	2.1
125.05979	1.0
129.07092	1.0
131.01291	0.6
131.08580	2.0
133.10138	2.9
135.08040	4.4
135.11707	2.0
137.05984	1.6
137.09523	0.7
137.13220	1.2
143.08627	1.7
145.10129	4.3
147.11685	1.5
149.09613	0.9
149.13272	1.3
151.07547	100.0
152.07872	1.8
157.10133	1.5
159.08002	0.9
159.11685	1.7
161.09581	1.0
163.07555	2.8
163.11148	1.4
165.09157	2.2
167.07034	1.3
171.11623	0.9
171.53349	0.6
173.09659	1.3
173.13280	1.0
174.03017	0.6
175.07567	1.4
175.11174	1.0
175.14873	0.8
176.08347	1.4
177.05540	0.7
177.09087	1.9
181.04945	1.8
185.13344	1.1
187.11212	0.8
187.14833	2.2
189.09059	1.2
189.16393	0.8
191.10681	19.0
197.13185	0.7
201.16447	1.5
203.14200	0.9
213.16281	0.7
217.12340	1.0
231.13902	0.8
233.83601	0.7
245.11491	0.7
251.20117	1.0
320.03546	0.6
371.25702	2.0
387.22250	0.6
389.27161	0.9
402.12473	0.7
407.33221	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27468	0.8
53.03945	1.2
55.05513	11.8
57.07079	100.0
65.03961	1.0
67.05169	1.5
67.05508	20.7
69.03428	1.1
69.07069	17.1
70.82996	2.2
70.83343	1.1
71.04990	1.5
71.08643	1.7
72.00095	0.9
79.05489	8.5
81.07060	43.8
83.04991	2.0
83.08630	9.6
85.06547	71.8
85.70380	0.9
91.05479	9.9
93.07050	18.4
95.04977	2.6
95.08611	43.9
97.06499	1.4
97.10189	5.3
99.08085	1.9
102.88379	0.9
105.07032	16.9
107.04915	1.6
107.08595	18.5
107.09290	1.5
109.06519	9.9
109.10159	28.0
109.22070	0.9
109.52917	0.9
111.04464	1.1
111.08074	1.8
111.11716	2.8
113.00043	0.9
117.06991	4.7
119.04945	1.0
119.08587	28.0
121.06505	2.0
121.10144	12.7
123.08083	7.2
123.11713	31.3
124.12045	1.1
125.05988	2.8
127.11180	2.7
128.06189	1.1
129.07027	1.4
131.08569	6.4
133.06488	1.3
133.10133	19.2
135.08073	3.9
135.11694	7.8
137.06009	1.3
137.09621	4.7
137.13283	6.2
141.12721	1.5
142.07811	1.1
143.08565	2.9
145.06467	1.7
145.10138	6.9
147.08040	2.6
147.11691	7.2
149.09618	2.7
149.13281	6.6
151.07613	1.1
151.11177	2.8
151.14856	3.5
155.07082	2.3
155.14288	1.7
157.10106	2.2
159.08025	1.5
159.11699	4.6
161.09619	6.0
161.13251	4.5
163.07616	2.3
163.14854	5.2
165.09117	3.5
165.16449	1.3
169.10184	1.2
171.11699	1.9
173.13240	4.4
175.11235	2.7
175.14810	3.9
177.09106	1.6
177.12720	1.5
177.16371	6.5
179.03445	2.3
179.10664	4.4
179.17877	1.0
183.11694	1.2
187.11130	0.9
187.14841	2.5
189.16402	2.0
191.14276	2.2
191.17996	1.7
193.12315	1.4
195.17462	3.1
197.19023	0.9
201.12697	1.1
203.17924	1.9
205.15814	1.5
205.19441	1.4
206.39944	1.1
213.16389	1.7
219.21140	1.7
221.15413	1.1
233.22473	1.5
235.16869	1.2
243.21120	2.6
259.24213	3.9
271.20865	1.3
277.25168	2.0
287.23703	3.1
305.24805	9.3
315.30478	4.2
323.26199	2.2
332.59836	1.1
333.24658	1.1
333.31537	13.7
343.29898	5.9
351.81155	1.0
353.28409	1.3
360.76364	1.1
361.31021	16.2
371.29456	16.0
379.32144	4.8
389.30472	55.5
390.30841	1.9
407.22662	1.6
407.31500	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2793
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.03959	1.9
55.05514	12.9
57.07082	32.1
67.05507	40.4
69.07074	25.6
71.04993	1.9
71.08273	2.7
71.08633	29.8
73.06574	2.2
79.05499	11.1
81.07060	76.5
83.08631	14.8
85.10178	2.2
89.06002	1.7
91.05484	4.9
93.07066	8.9
95.08611	69.0
96.08937	1.7
97.06575	3.0
97.10175	14.0
98.20773	6.7
98.21489	5.5
99.08086	1.8
105.07049	5.0
107.08595	4.3
109.06522	7.1
109.10168	35.4
111.11724	12.6
119.08599	7.7
121.10158	7.4
121.29040	1.4
123.08109	2.9
123.11717	23.1
125.13269	7.0
133.10170	6.7
135.11691	6.7
137.06004	20.6
137.09621	2.8
137.13257	8.7
139.07542	2.5
141.09067	2.4
141.12749	19.2
147.11687	6.2
149.13298	4.3
151.07550	12.0
151.11211	3.5
151.14806	3.7
155.07050	100.0
156.07454	1.5
161.13287	3.9
165.09209	1.9
165.12688	2.1
165.16431	1.7
167.07047	7.6
175.07556	2.9
175.14873	2.0
181.04980	3.4
193.08650	1.8
195.06726	1.4
207.21097	18.6
217.19550	22.0
235.20563	19.6
253.21675	11.0
310.46643	1.4
410.33459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.9
57.07077	29.9
67.05169	3.1
67.05505	49.5
67.34816	1.9
68.05832	2.0
69.07069	36.4
69.82368	11.2
71.04971	2.4
71.08634	32.5
79.05490	10.7
81.07057	76.5
83.08618	31.8
85.06563	4.4
85.10178	12.4
91.05471	10.8
93.07045	18.0
95.04965	4.8
95.08608	100.0
96.08914	2.9
97.06528	2.8
97.10169	25.9
98.21215	6.4
105.07017	9.5
107.08617	10.8
107.09229	2.2
109.06448	2.3
109.10155	42.4
111.08060	3.3
111.11728	15.6
113.09616	2.3
119.08577	6.0
121.10123	12.9
123.04420	3.9
123.08005	3.1
123.11698	19.5
124.04752	2.8
125.13255	5.0
127.03062	3.8
127.03923	40.8
133.10147	10.9
135.11693	12.0
137.05957	11.9
137.09648	4.0
137.13263	17.8
139.03893	11.5
141.05449	7.1
142.05823	5.6
145.10124	3.7
147.11697	12.5
149.13239	7.1
151.07590	4.9
151.11206	4.9
151.14810	6.5
155.07042	24.4
155.14302	20.0
157.09999	2.0
161.13225	7.5
163.14833	6.5
165.12729	2.9
165.16370	3.1
169.10175	2.8
175.14806	5.2
179.14294	4.4
179.17921	2.1
181.04964	5.7
189.16380	4.3
189.71017	2.4
197.13474	1.8
197.72754	2.2
207.21098	14.6
217.19540	22.9
235.20551	22.6
235.24153	4.3
245.22710	14.1
245.87822	2.1
249.34724	2.0
253.25243	4.3
263.23709	6.9
281.24692	7.5
299.25940	5.3
389.33142	3.9
407.33420	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2792
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.03919	0.7
55.05505	2.9
57.07077	9.5
57.53612	0.5
67.01852	0.7
67.05506	4.6
68.99753	0.7
69.03419	0.6
69.06767	0.5
69.07068	5.0
71.01368	0.8
71.08637	7.4
71.57996	0.8
74.46354	0.5
77.23553	0.5
77.57012	0.5
79.05481	0.9
81.07062	8.0
83.04978	0.5
83.08224	0.4
83.08624	4.1
85.10192	3.1
89.06031	1.0
91.05450	1.1
93.07031	1.7
95.04975	0.6
95.08046	0.8
95.08608	8.8
97.10184	2.8
105.07007	1.5
107.08586	1.6
109.10162	5.8
109.62241	0.5
111.11697	0.6
119.08569	1.6
121.10150	1.6
123.11717	2.6
127.03923	9.9
131.08583	0.9
133.08592	0.6
133.10133	1.8
135.11710	1.4
137.13287	1.0
143.08588	0.5
145.10124	1.0
147.11731	1.2
149.13246	1.1
151.03891	1.3
152.00479	0.6
153.01833	100.0
154.02196	1.3
159.11694	0.7
161.13268	0.9
169.04977	2.7
170.71556	0.6
173.13258	0.8
175.14796	1.0
177.08826	0.6
183.11751	0.8
187.14899	1.0
201.16379	0.8
213.16525	0.8
215.17894	0.6
221.22569	0.6
239.23720	5.9
281.24872	1.6
283.24237	0.6
333.24173	0.7
348.14041	0.8
362.15237	0.7
363.16037	2.8
377.17551	4.1
378.18109	3.0
389.30444	1.2
391.19342	2.7
392.19690	4.7
407.22409	30.2
407.27945	4.3
407.36530	4.4
408.22614	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32740	1.7
55.05515	21.4
57.03435	4.2
67.05492	3.4
69.03432	4.3
69.07073	3.9
69.78855	5.0
69.79272	4.7
73.17980	2.2
76.07288	1.8
77.57182	1.9
81.03419	2.2
81.07059	5.3
83.04987	21.5
83.08619	17.4
85.02908	5.5
85.06550	2.6
91.05456	3.1
93.07034	3.2
95.04990	2.5
95.08628	2.7
97.02921	2.0
97.06506	4.6
97.10169	5.1
98.21271	5.3
106.02898	2.0
107.04910	1.8
107.08601	11.4
109.02857	2.3
109.06544	2.1
109.10181	11.8
111.08077	3.6
111.65729	1.8
121.10116	4.9
123.08079	1.8
123.11717	3.2
124.03963	6.5
125.09640	5.0
127.07610	2.7
127.11196	5.5
131.08549	2.2
133.10120	6.6
135.08081	2.1
135.11668	2.3
140.54477	1.8
145.10178	2.1
147.11717	3.5
149.13290	5.2
151.11185	24.8
153.09085	1.7
167.14322	34.0
173.13309	4.3
191.14337	12.4
197.12923	2.4
209.15373	100.0
209.49142	1.9
246.13153	3.5
252.91945	2.0
268.07950	2.6
282.09552	3.4
300.10504	2.1
310.08710	2.2
328.10202	2.9
346.11127	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46055	8.3
53.03945	8.7
55.05518	16.9
67.05499	26.8
69.03422	13.7
71.04965	8.0
71.30266	10.7
79.05489	20.3
81.03416	14.5
81.07066	22.1
82.77038	7.6
83.04984	15.5
83.08598	11.6
85.02909	13.1
89.79582	8.5
91.05474	37.0
93.07056	26.7
94.07400	10.1
95.04976	80.1
95.08621	13.6
97.02925	12.9
97.06593	9.0
98.21238	13.6
99.04470	20.0
103.05476	10.3
105.07030	24.4
107.04991	11.5
107.08601	19.2
109.06526	14.3
111.08079	10.3
119.04942	9.5
119.08653	12.6
121.06498	19.8
121.10173	18.7
124.03973	18.7
125.05931	8.5
125.09654	8.2
131.04951	11.0
133.10121	11.4
133.99644	8.3
137.05977	63.1
138.06343	10.2
147.11650	9.3
151.07541	18.5
151.11215	23.5
153.01826	9.3
153.09081	23.0
163.07590	10.0
164.04437	8.0
167.07104	30.3
167.14305	13.7
168.07481	13.3
179.07129	11.5
181.04958	30.3
181.08606	13.9
182.05339	16.8
188.03810	59.3
191.14384	13.9
209.15363	100.0
210.67188	8.5
225.07552	16.1
227.12727	8.3
227.16418	16.7
259.11087	17.5
314.07034	17.5
346.20248	8.1
346.86136	9.0
388.14703	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	407.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61357	1.1
55.01868	1.7
56.96579	3.2
59.04993	1.3
61.02915	1.6
69.03434	9.4
69.42690	9.2
73.02899	2.7
77.00928	1.5
79.01890	1.4
81.03424	7.1
81.04544	1.4
82.99883	2.3
83.04967	2.0
85.02910	10.8
91.04021	1.1
97.02927	6.6
98.21026	4.7
98.97586	9.7
101.00885	10.9
105.00370	1.7
109.02869	3.5
110.97614	2.0
113.00842	1.4
113.02374	1.2
113.03491	5.8
115.02470	1.7
116.98628	5.6
117.03998	1.3
119.01926	25.7
120.74587	1.0
127.03917	4.5
128.98631	2.2
131.01927	12.6
133.03439	2.9
134.99629	2.9
137.02988	3.6
141.03983	2.4
141.06621	1.8
142.45512	1.0
142.61809	1.0
143.01904	37.0
144.99916	1.2
145.03470	10.8
145.04610	1.5
145.04840	1.3
146.99644	1.2
149.01225	2.0
149.02963	2.7
153.01825	16.8
154.02211	1.4
155.01888	18.5
156.02632	1.2
157.01637	1.4
157.03513	6.4
158.99640	2.2
159.05031	7.9
161.02972	43.9
161.06644	1.6
163.04527	3.4
169.03464	15.3
170.99785	1.5
171.01440	1.6
171.05057	7.0
173.01427	2.5
173.02960	36.1
175.02994	1.6
175.04532	6.9
177.00716	3.1
177.02437	3.2
177.05901	1.7
181.03604	1.2
183.01576	2.2
183.04987	2.0
184.04489	1.6
184.30791	1.2
185.02924	5.9
185.06589	7.5
187.04530	67.1
188.04755	1.5
189.06119	2.9
191.03963	1.7
195.06219	1.1
197.02960	2.2
199.04526	4.6
201.02458	51.5
201.06090	21.2
203.02348	1.7
203.04036	7.6
203.07565	1.7
205.05673	4.1
210.06212	1.4
211.04504	2.7
213.02449	4.9
213.06052	1.3
213.48289	1.2
215.03987	2.0
217.05594	6.6
219.01904	5.3
219.03529	100.0
220.03719	2.0
221.05106	14.8
223.04645	1.8
224.04039	1.3
227.04082	2.3
229.05618	21.0
231.03506	6.7
233.05077	1.8
237.02718	8.3
237.04851	1.5
239.06317	1.4
241.06371	1.7
242.05080	3.8
243.07158	1.9
245.05066	24.1
245.15089	1.5
247.06711	6.1
249.04620	4.3
257.05038	2.6
259.02652	2.4
259.03976	1.5
259.06705	22.8
261.04672	7.7
261.08231	3.9
263.06180	5.1
271.06686	2.7
273.04596	7.9
277.03683	6.7
279.03513	1.5
287.06107	9.7
289.07803	6.4
294.92230	1.3
303.01385	3.1
303.05649	4.8
305.03882	2.2
305.07178	12.0
305.10681	2.9
307.08951	7.3
316.99045	1.6
321.06696	12.1
325.09595	1.3
347.08304	12.6
354.03989	1.1
359.12665	1.4
360.00259	1.1
365.09393	5.3
379.01187	2.3
405.96048	1.1
407.00293	3.7
407.10495	23.9
408.10727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78838	3.5
55.01882	3.5
59.38389	3.6
64.83833	3.5
69.03425	8.6
69.07054	4.6
71.04987	6.4
71.56528	5.5
71.56997	5.4
72.08167	4.2
72.78856	3.8
76.02205	3.8
79.05488	15.0
81.03427	7.8
81.07063	8.1
83.04979	4.5
84.04539	5.5
85.02906	4.3
86.09706	7.7
88.03219	3.6
91.05489	5.0
92.08360	4.1
93.07037	8.8
95.04988	8.6
97.06535	4.0
98.06071	5.1
98.21053	4.4
99.08086	4.4
105.07017	10.1
105.92778	4.0
106.02903	6.3
107.08583	16.8
109.02840	13.5
111.04431	5.7
116.01662	4.6
117.05434	3.9
121.02872	60.9
121.06516	11.1
121.10149	7.7
124.03941	16.3
126.09134	12.1
127.03900	9.0
131.08582	59.6
135.08058	4.4
137.05997	4.9
141.15472	3.6
144.10202	18.2
145.10136	14.8
149.09616	22.6
149.30418	4.3
153.01895	6.4
154.02087	4.2
163.11186	8.9
167.07059	6.3
178.04997	6.8
188.03419	5.9
191.10661	16.1
193.08612	4.0
209.11751	100.0
209.15561	5.0
225.10258	4.5
227.08177	10.3
237.10141	5.4
241.09789	7.8
251.08171	12.7
255.07689	7.7
259.11142	13.7
265.09698	12.2
268.08026	4.3
269.09177	28.0
273.08585	6.4
279.07684	12.2
283.10767	4.4
293.09161	16.1
297.08704	37.9
308.75854	4.5
311.10358	4.9
315.09680	13.9
325.11911	9.1
333.10660	11.4
339.09711	17.8
343.12851	7.8
357.10867	7.1
371.12506	11.5
389.13446	63.8
407.14413	9.5
410.65967	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.7
58.75588	1.5
63.44908	1.6
69.03442	3.0
69.07080	1.7
69.55198	4.3
69.55611	5.8
71.04993	3.5
81.03410	1.8
81.07042	2.9
83.04989	7.0
83.08617	9.5
85.02902	6.1
91.05482	2.0
93.07062	2.1
95.04972	70.9
95.08601	2.6
97.02914	1.7
97.06532	1.8
98.20885	3.7
99.04453	16.7
105.07041	2.8
107.08602	4.7
109.06551	1.9
109.10167	5.6
111.08067	3.1
121.10235	1.7
123.11697	1.6
125.09616	1.8
133.10138	6.0
147.11682	2.3
151.11160	12.1
153.09111	23.9
167.14310	16.6
173.13295	3.4
191.14409	3.8
196.07281	1.6
209.15375	100.0
227.16435	4.8
308.07858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.05495	16.6
69.03429	5.7
69.07050	4.3
69.37260	27.5
69.37668	6.5
73.02923	4.9
74.87608	4.3
76.02170	4.8
79.05498	7.3
81.07044	16.4
83.04961	17.5
83.08616	10.2
85.02888	17.0
91.05470	7.1
93.07034	9.7
95.04971	7.7
95.08600	7.8
97.06525	14.6
98.21030	18.4
99.80305	3.8
105.07056	5.2
107.08561	13.5
109.06531	22.5
109.10154	15.1
121.10136	17.5
123.08103	7.2
131.08554	4.5
133.10139	26.8
135.08018	5.4
147.11661	13.5
149.13239	8.9
151.11159	23.4
153.09048	8.6
167.14343	18.0
173.13268	12.3
191.14388	24.2
209.15385	100.0
227.16411	52.4
273.33524	4.8
371.20395	6.3
433.69110	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	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14973	0.9
55.01862	3.5
55.05518	2.1
56.05035	7.3
57.03436	5.4
58.99583	11.4
68.05025	1.8
69.07056	1.6
70.06579	0.9
70.72190	2.0
73.01134	1.7
74.00680	2.1
76.02226	21.9
76.03983	2.2
77.53378	0.8
79.05503	4.4
80.05008	1.0
81.07056	17.1
83.06075	2.2
84.04503	26.1
85.01116	2.8
86.00658	6.1
86.99040	5.4
87.02695	6.8
88.02200	3.2
94.06549	1.6
95.08606	3.4
97.01118	1.4
97.06504	2.5
98.09689	11.2
99.05590	0.9
99.08097	6.2
102.05543	5.7
104.63814	0.8
105.07011	1.8
107.61005	0.8
110.09678	1.8
111.08097	0.8
112.03978	4.8
113.04192	6.6
115.05774	1.5
115.46076	0.8
116.01674	23.1
122.09646	1.7
123.08053	0.9
127.05793	1.1
129.06610	3.0
130.05016	7.4
130.06841	4.1
130.08633	1.2
139.05746	1.9
142.03224	1.4
144.01137	9.8
152.67143	0.9
156.08417	20.9
156.10199	10.7
157.06842	8.7
162.02211	24.1
174.09471	13.4
175.18098	0.9
179.04858	9.9
187.05373	1.2
189.03252	1.7
210.11240	2.6
216.06853	5.2
233.05852	3.0
242.08305	0.8
259.11115	100.0
260.09348	1.5
260.11652	1.4
261.90298	1.1
277.12067	1.1
285.12701	2.5
308.09027	1.0
313.12167	4.4
331.13217	6.0
388.15646	1.7
406.11716	1.0
406.16513	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.3
55.05501	3.6
56.05035	5.0
57.03429	9.9
57.07055	3.8
58.17132	2.8
58.99588	7.6
59.97150	3.2
67.05511	10.5
69.03421	7.3
69.07057	3.9
70.06577	5.1
71.04983	10.3
71.11114	4.9
71.11471	7.2
71.28314	2.7
76.02235	16.4
79.05500	17.5
81.07059	20.8
84.04494	24.3
84.39367	3.2
85.02917	15.6
85.06544	63.0
86.99072	6.3
87.02687	3.7
91.05478	11.7
93.01429	2.7
93.07037	15.6
95.04979	3.3
95.08598	4.3
97.02972	3.7
97.06527	5.1
98.09705	8.7
98.21281	5.4
99.08102	6.6
102.05555	4.0
105.07035	9.7
107.04944	5.9
107.08609	14.7
108.56046	3.1
109.02875	3.9
111.04427	10.6
112.03981	3.2
116.01669	20.3
117.07065	3.4
119.08565	12.3
121.06504	10.4
121.10171	9.0
123.08093	4.1
125.06015	6.3
127.03849	4.7
130.05011	5.3
131.08577	44.0
132.68195	3.1
144.01141	6.0
145.04932	3.6
145.10139	16.9
147.08002	5.4
147.11847	3.3
149.09618	34.4
153.05479	3.2
156.08429	11.9
156.10223	4.3
157.06860	5.5
158.08165	3.2
161.09422	3.0
162.02225	16.3
163.11211	17.7
167.07069	4.6
167.10646	23.1
173.09662	3.3
174.09500	9.5
179.04849	7.3
191.10670	50.4
193.67487	3.1
209.11743	65.3
216.06815	6.3
227.12775	100.0
244.08115	7.1
259.11118	71.4
286.42282	3.6
331.13327	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	405.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01862	0.7
55.05516	8.6
57.03446	0.6
57.06816	0.5
57.07077	6.7
63.48521	0.3
65.03950	3.9
67.05507	27.5
69.03426	0.6
69.07074	16.1
69.07455	0.8
69.52130	2.7
69.90681	0.3
71.05001	4.5
71.08634	3.7
79.05499	3.2
81.03403	0.7
81.07061	13.2
83.01324	1.3
83.04990	1.1
83.08625	11.1
85.02828	0.4
85.06542	0.9
85.10197	1.7
91.05500	2.0
93.07044	4.2
95.04974	11.4
95.08611	11.6
97.02863	0.8
97.06533	1.5
97.09624	0.4
97.10181	5.7
98.20894	1.0
98.21470	0.7
99.04459	7.1
105.03380	1.1
105.07041	2.8
107.04945	1.2
107.08611	3.6
109.06502	1.7
109.09451	0.6
109.10157	6.8
111.04335	0.3
111.08064	1.0
111.11732	3.9
113.06011	4.9
117.07051	0.7
119.08573	2.9
119.29077	0.3
121.06519	1.6
121.10141	3.2
123.04433	17.1
123.08094	1.8
123.11710	3.8
125.05106	0.3
125.05988	9.3
125.09639	0.6
125.13246	1.6
127.07545	0.8
128.06258	0.5
128.64949	0.4
129.05473	0.6
131.08571	1.5
133.10170	2.2
135.08076	1.4
135.11690	2.3
137.05957	1.1
137.09605	1.9
137.13297	1.7
139.07550	5.2
139.11166	0.5
141.05470	100.0
142.05791	0.5
143.08553	0.4
145.10133	1.6
146.12965	0.3
147.08018	0.5
147.11688	2.1
149.09625	3.0
149.13260	1.2
151.07539	2.5
151.11179	0.9
151.14804	1.5
153.05455	1.9
153.09094	2.0
155.07063	2.1
157.10178	0.5
159.11699	1.4
159.38574	0.3
161.09642	0.9
161.13309	0.9
163.07596	1.5
163.11214	1.4
163.14856	0.8
164.07051	0.5
165.09148	3.6
165.12648	0.6
165.16417	0.6
167.03406	8.6
167.07045	1.5
167.10722	3.0
169.04916	0.5
169.08635	2.8
169.09993	0.5
171.11746	0.3
173.13287	0.7
175.11238	0.6
175.14812	0.6
177.05415	0.6
177.09167	0.6
177.12778	0.4
179.07091	0.5
179.10680	1.4
181.04971	0.5
181.08562	1.6
181.12230	0.8
185.13307	0.4
187.11249	0.7
187.14844	0.5
189.09113	1.2
189.12738	0.4
191.07069	1.8
191.10718	0.9
191.14384	0.8
191.18005	0.5
193.12262	0.9
195.06551	3.8
195.13823	0.7
197.11769	2.3
201.16426	0.7
203.17981	0.6
205.12257	1.3
207.10172	1.1
207.13869	0.7
213.07562	0.9
215.18094	0.4
223.13261	0.4
237.18518	0.6
243.17397	0.5
249.18530	0.5
251.20140	0.4
253.17874	0.6
255.23164	0.5
261.18643	0.6
263.23779	0.4
267.19595	1.2
279.19650	0.5
288.79868	0.4
295.46027	0.3
305.24582	0.5
323.25821	0.5
327.30505	1.0
341.32217	0.5
345.31561	2.3
359.33151	0.7
363.32654	1.3
369.31604	1.6
387.28818	1.6
387.32941	5.2
394.66345	0.5
405.21356	0.6
405.29797	13.6
405.33804	20.3
405.41965	0.6
406.30185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53733	0.7
53.03931	1.2
55.01868	1.4
55.05511	8.3
57.03438	0.8
57.07059	2.0
57.65939	0.7
65.03944	0.7
67.05508	13.2
69.03432	3.6
69.07068	7.8
69.53819	0.6
71.04982	0.9
71.56168	0.6
71.56561	1.0
74.73370	0.6
77.03911	0.8
79.05490	10.7
81.03394	1.1
81.07061	25.5
83.04987	6.7
83.08613	5.7
85.02878	0.7
91.05482	15.2
92.70575	0.7
93.07053	21.3
94.22710	0.6
95.04987	3.8
95.08609	29.9
97.02821	0.7
97.06528	1.8
97.10153	1.8
99.08097	1.0
105.07034	29.3
107.04961	1.0
107.08598	25.6
109.06526	3.7
109.10155	18.3
111.08070	2.9
115.05416	1.5
117.07033	5.6
119.08589	26.7
119.09449	1.6
121.06512	1.5
121.10146	24.0
123.08060	3.4
123.11710	10.5
125.05934	0.7
125.09630	4.7
128.06223	2.9
129.06990	5.2
130.07774	1.5
131.08572	19.7
133.06482	0.7
133.10135	21.2
135.08093	1.0
135.11679	10.5
137.05986	0.7
137.09618	2.2
137.13257	2.2
139.11124	0.8
141.05449	0.8
141.06964	2.3
142.07748	3.8
143.08563	17.6
144.09312	1.9
145.06551	1.0
145.10132	26.1
145.11292	1.3
146.10728	0.7
147.11691	11.4
149.09605	1.8
149.13269	5.6
151.07507	1.2
151.11169	2.8
151.14986	0.7
153.05511	1.1
153.07120	0.7
154.07796	1.3
155.07161	0.9
155.08537	11.1
156.09364	4.7
157.10132	18.0
158.10907	2.6
159.11690	17.1
161.13240	7.2
163.11203	1.7
163.14815	3.5
165.07086	1.0
165.12755	0.8
167.03348	1.2
167.07056	2.3
167.08507	1.3
168.09352	2.9
169.10138	10.3
170.10918	3.4
171.11703	17.2
173.09613	1.0
173.13281	17.1
174.13693	0.7
175.11215	0.8
175.14827	7.8
177.12791	1.6
177.16394	3.3
179.08478	0.8
180.09277	0.7
181.04961	0.9
181.10088	4.2
182.10954	3.0
183.11696	13.1
184.12393	1.5
185.13272	25.4
186.13759	0.9
187.14833	22.2
188.01234	0.6
189.12778	0.9
189.16417	5.5
191.07063	0.6
191.14287	1.7
191.17952	1.8
193.10181	1.6
193.15918	1.0
194.10896	0.7
195.11691	5.5
196.12491	1.9
197.13275	16.4
198.13901	1.2
199.14827	25.3
200.15329	0.6
201.12761	1.2
201.16382	13.3
201.18237	1.0
203.14357	0.9
205.15871	3.2
207.11710	1.9
207.17445	1.1
209.13245	13.1
209.15077	1.1
211.11623	0.9
211.14838	20.6
212.15379	1.4
213.16382	12.5
215.17978	2.1
217.16025	0.8
219.17464	1.4
221.13283	2.2
222.13991	0.8
223.14854	4.7
225.16354	6.2
227.17957	4.5
229.15894	1.0
231.17455	2.4
233.13327	1.0
235.14861	1.8
237.16353	3.3
239.17934	6.5
240.18587	1.2
241.19485	5.1
243.17688	0.7
247.14874	1.1
249.16362	2.5
251.18018	5.2
253.19528	6.0
254.20296	0.9
255.21072	1.2
263.17935	2.7
265.19562	4.7
267.21048	4.6
275.17944	0.9
277.19580	2.9
279.20999	3.0
281.22726	2.3
283.20679	1.0
291.21155	1.7
293.22522	2.0
297.22226	0.9
305.22839	1.2
309.22052	0.8
311.23300	0.9
317.22562	1.9
321.25739	1.0
331.23889	1.3
335.23636	1.6
347.27570	1.4
349.25186	1.5
373.13840	0.7
377.27765	0.9
377.32202	1.5
387.25580	0.7
387.30423	9.4
405.31512	100.0
406.31448	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01868	2.2
55.05509	11.1
57.03429	2.1
57.07064	2.8
65.03934	1.4
66.80949	0.9
67.05167	1.4
67.05504	17.4
69.03416	5.9
69.07068	12.7
70.74182	2.5
71.04988	2.0
76.15662	1.0
78.16473	1.0
79.05490	15.2
81.03382	2.4
81.07056	36.1
83.04982	7.7
83.08618	6.4
85.02909	1.9
85.06554	2.8
91.05477	20.7
93.07042	28.0
95.04967	8.2
95.08607	42.1
97.06515	3.8
97.10155	2.5
98.21146	2.0
98.97582	3.0
99.08086	1.2
103.05470	1.6
105.04542	1.1
105.07033	37.3
106.04170	1.6
107.04951	4.4
107.08595	33.5
109.06551	6.7
109.10154	27.6
111.04453	1.7
111.08079	3.5
113.09624	1.1
115.05430	2.8
116.98650	1.3
117.07018	7.5
119.04914	4.2
119.08579	50.1
121.06492	5.1
121.10149	33.4
123.04426	2.2
123.08075	6.8
123.11713	11.1
125.05979	1.7
125.09643	6.9
128.06216	4.0
129.07031	6.5
130.07825	2.5
131.07593	1.5
131.08572	24.6
133.06487	4.3
133.10127	27.0
135.04408	1.6
135.08041	4.2
135.11699	11.5
137.05978	13.6
137.09615	4.3
137.13240	3.2
139.07452	1.5
141.06998	1.9
142.07794	5.5
143.08566	17.8
144.09351	3.0
145.06523	1.4
145.10124	47.6
147.04434	7.0
147.08029	2.8
147.11688	16.1
149.05904	1.8
149.09622	3.8
149.13264	9.0
151.03868	1.7
151.07574	8.7
151.11165	3.3
153.05498	1.5
154.07742	1.3
155.08565	7.2
156.09338	7.6
157.10129	23.4
157.80856	1.0
158.10880	4.5
159.11690	29.7
161.06017	3.4
161.09575	3.4
161.13258	12.7
163.03847	1.3
163.07553	2.3
163.11180	4.0
163.14798	4.4
165.05589	1.2
165.12732	2.1
167.07080	12.9
167.08438	1.8
168.09326	2.4
169.10130	12.4
170.10928	6.1
171.11690	27.5
172.12332	1.5
173.09615	4.2
173.13261	31.9
175.11198	2.4
175.14832	13.6
177.00656	1.2
177.05530	2.0
177.09077	1.3
177.12807	2.3
177.16383	5.3
179.07011	4.1
179.14290	1.1
181.04980	5.5
181.08591	2.7
181.10135	4.1
182.10886	2.3
183.11691	19.5
184.12402	2.0
185.09665	1.1
185.13260	24.3
187.11189	1.9
187.14819	38.7
189.09053	1.2
189.12793	2.2
189.16467	6.3
191.06912	1.2
191.10675	1.9
191.14334	3.8
193.08617	2.6
193.10225	2.5
195.06541	2.0
195.10193	1.3
195.11708	6.6
196.12398	2.6
197.13275	15.0
198.13895	1.1
199.14816	25.3
201.12740	3.0
201.16373	17.1
203.14313	3.8
203.18045	3.2
205.08521	1.2
205.15877	9.8
207.11711	2.8
207.17404	2.0
208.12476	1.4
209.07954	1.4
209.13272	7.4
211.14795	17.4
212.15562	2.4
213.16383	18.4
215.14316	2.3
215.17958	4.2
217.15898	3.3
219.17488	2.3
221.13322	2.4
223.14795	4.6
225.16368	7.4
227.14369	1.3
227.17950	4.8
229.15886	2.0
229.19403	1.5
231.17416	2.4
233.08012	2.6
235.14859	2.5
237.16435	7.4
239.17976	10.4
240.18547	2.0
241.15894	2.3
241.19502	7.3
243.13757	1.5
245.19156	1.6
249.16345	1.8
251.12645	1.4
251.17955	4.8
253.19537	8.2
254.20221	1.3
255.21198	1.4
262.52576	1.2
263.18042	2.5
265.19580	4.3
267.21133	5.1
274.99277	1.2
275.18137	1.4
277.19757	1.8
279.21085	4.3
281.19138	1.6
281.22629	1.8
283.20734	1.3
297.22202	1.3
305.22778	2.2
309.22238	1.7
311.23996	1.4
317.22717	2.2
319.24350	1.6
331.24051	1.6
335.23660	3.8
347.27402	2.1
349.25238	2.0
377.32190	2.0
387.25256	2.9
387.30298	11.9
398.93372	1.1
405.22745	3.6
405.31503	100.0
406.31802	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	405.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03943	1.5
55.05515	8.1
57.07062	2.2
65.03925	0.9
67.05506	10.5
69.03423	1.9
69.07069	7.2
71.04980	0.9
71.95029	0.6
73.88070	0.6
79.05498	9.2
81.07060	22.2
83.04980	4.4
83.08626	4.3
91.05479	14.8
93.07047	23.6
95.04973	3.0
95.08610	33.3
97.06525	2.0
97.10168	1.4
98.20779	1.4
98.21455	2.1
99.08093	5.1
103.05479	1.7
105.07030	32.1
107.04972	0.8
107.08599	27.7
109.06514	2.7
109.10158	17.1
111.08088	2.5
113.21046	0.6
115.05455	1.8
117.07018	6.1
119.08583	49.7
120.37351	0.6
121.06534	1.5
121.10149	21.5
123.04402	0.7
123.08047	2.6
123.11707	6.4
123.45674	0.7
125.09649	2.2
128.06235	2.5
129.06990	5.3
130.07791	1.3
131.08575	26.3
133.10135	24.0
135.08081	2.4
135.11685	8.0
137.05986	2.6
137.09596	2.1
137.13258	1.3
141.06996	1.9
142.07805	4.9
143.08566	16.9
144.09320	2.7
145.10127	38.6
146.10458	0.7
147.04434	1.7
147.08022	0.8
147.10500	0.8
147.11691	16.1
149.05981	1.2
149.09659	1.9
149.13261	6.1
151.03862	0.8
151.07544	1.2
151.11224	1.9
153.12669	0.7
155.08578	7.7
156.09338	5.3
157.08769	0.8
157.09026	0.4
157.10120	24.2
158.10896	3.6
159.08093	1.5
159.11700	24.3
160.12222	0.9
161.09741	1.3
161.13260	9.8
161.70055	0.7
163.11188	1.9
163.14828	4.1
165.12738	0.9
167.07028	3.0
167.08559	1.9
168.09378	2.0
169.10139	11.3
170.10921	6.5
171.11694	21.2
171.13130	1.1
171.90059	0.6
172.12381	1.8
173.09575	1.1
173.13263	22.5
174.13628	0.6
175.11217	1.5
175.14859	9.9
177.05440	1.3
177.12822	1.1
177.16389	3.9
179.07065	1.1
179.08549	1.1
180.09288	1.0
181.04965	1.4
181.10127	3.5
182.10892	3.3
183.11679	17.7
183.13191	1.1
183.21437	0.6
184.12473	3.1
185.13263	39.7
186.13759	1.3
187.14827	48.4
188.15244	1.3
189.12703	1.1
189.16418	8.1
191.14302	1.0
191.17877	0.7
193.10178	1.6
193.15944	0.9
194.10925	1.0
194.66966	0.7
195.11713	6.1
196.12489	2.6
197.13264	16.4
198.13948	1.5
199.14821	23.7
201.00523	0.7
201.12685	2.9
201.16376	16.4
203.14334	2.5
203.17989	2.6
205.08621	0.9
205.15849	7.1
207.11798	1.2
207.17511	1.0
207.61098	0.6
208.12434	0.7
209.13248	6.6
210.13992	1.7
211.14821	13.2
212.15392	1.3
213.16382	14.7
213.18321	0.9
215.14319	1.6
215.17966	5.2
217.15939	2.8
219.11848	1.3
219.17506	1.0
221.13269	2.3
222.13945	0.9
223.14836	5.1
224.15750	0.8
225.16415	7.7
227.14438	0.9
227.17955	3.6
229.15831	1.7
229.19572	0.8
231.17447	2.5
232.12286	0.8
233.13322	1.5
234.14073	0.7
235.14809	2.4
237.16417	3.8
238.17076	0.6
239.17964	6.6
241.19516	5.5
243.17563	1.1
247.14880	1.1
248.15559	0.7
249.16428	2.3
251.17978	5.0
253.19550	4.9
254.20227	1.5
255.21112	1.5
257.19147	0.8
261.16528	1.5
263.17966	3.2
265.19485	4.3
267.17651	0.6
267.21075	4.4
275.17883	0.8
277.19553	2.7
278.20114	0.9
279.20953	3.1
281.22797	1.3
289.19614	0.9
291.21054	2.6
293.22769	1.6
303.21091	1.2
305.22501	0.8
306.02899	1.0
307.24234	0.9
309.22012	1.0
311.23502	1.6
317.22678	3.4
319.24298	1.1
331.24203	1.8
333.25565	4.0
335.23535	3.5
347.27328	1.2
349.25372	1.7
359.27405	1.1
363.26746	1.3
377.32019	1.7
387.14444	0.8
387.30475	12.4
388.30872	0.7
405.31525	100.0
406.31750	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	405.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21403	1.3
52.91553	1.2
55.01874	8.0
55.05508	11.9
57.03435	1.8
57.07078	100.0
64.74577	1.6
67.05503	13.5
69.03425	1.6
69.07076	13.1
69.63205	9.2
71.04987	3.2
71.08606	1.6
75.77729	1.3
76.94254	1.3
79.01834	1.3
79.05498	7.6
81.07059	24.4
81.13425	1.2
81.30915	1.2
83.01344	14.5
83.04986	9.3
83.08617	8.1
85.02908	3.8
85.06546	69.9
85.10173	5.4
91.05480	5.2
93.07043	11.2
95.04975	3.1
95.08607	25.6
97.06516	1.8
97.10152	3.5
98.20654	2.3
98.21272	4.7
98.87646	1.3
99.08109	1.8
103.05507	1.8
105.07029	5.3
107.05009	1.3
107.08610	9.5
108.48838	1.2
109.06519	3.5
109.10152	17.5
111.08113	2.0
113.09660	7.6
117.06991	1.7
119.08583	6.3
121.06517	12.0
121.10143	8.0
123.04448	3.5
123.08000	1.6
123.11742	10.4
125.05998	5.2
127.03925	2.3
127.11211	3.3
131.08562	3.7
133.10139	3.7
135.08054	2.8
135.11722	3.4
137.05972	2.9
137.13293	4.5
139.03915	13.7
139.11185	1.7
141.05481	3.0
143.08585	2.3
145.10124	2.6
147.11655	2.1
149.05992	5.8
149.09642	2.7
149.13249	3.4
151.07552	2.5
151.14862	1.3
153.05472	34.7
155.07040	8.9
155.10669	5.3
157.10129	1.4
159.11673	1.6
161.13274	2.6
163.07573	3.9
163.14890	1.8
165.09137	4.5
165.16441	3.8
167.07045	78.2
168.07294	1.7
177.09077	9.6
177.16434	1.4
177.95287	1.3
179.10730	3.7
181.05046	6.7
181.08626	5.5
191.10669	7.9
191.14284	1.4
191.17920	2.4
205.12256	1.5
216.61874	1.4
219.13870	1.4
223.20605	1.8
251.20096	2.0
253.14418	3.8
261.18600	1.6
267.15939	3.5
287.20068	3.1
303.23163	9.7
321.24222	9.2
331.22708	4.2
387.28894	20.9
388.29227	2.0
405.30023	49.4
405.35318	3.6
406.30460	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3002
Annotation	Bungeiquinone
Peak:m/z	Relative Intensity
53.03936	1.2
55.01860	1.2
55.05516	4.7
57.07072	2.6
60.84353	0.9
66.96270	0.9
67.05501	6.4
68.99794	4.3
69.07057	4.7
69.25397	9.3
79.05490	3.6
81.07064	4.9
83.08613	3.3
91.05470	1.8
93.07037	3.3
95.04960	3.6
95.08618	5.5
97.06514	1.1
97.10153	2.1
98.20872	3.3
105.07012	1.5
107.08601	2.4
109.10146	2.3
119.04996	1.3
121.10145	2.0
123.04436	12.8
124.01591	1.5
125.05948	1.5
125.13244	0.9
130.08943	0.9
135.11728	2.6
137.05974	2.7
137.13234	1.3
139.03915	4.5
141.05469	10.5
151.03882	1.6
151.07588	4.0
153.05469	53.0
163.03918	1.2
167.03410	100.0
167.07085	2.6
168.03815	1.2
169.05000	4.2
170.02116	3.1
177.05447	1.3
179.07047	11.4
181.05008	1.0
191.06984	1.6
192.85194	1.0
195.06480	4.9
205.08595	1.1
207.10159	3.0
247.24263	1.5
264.96539	1.1
387.29010	2.2
405.30011	52.9
405.34726	2.9
406.30426	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	405.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01867	2.3
55.05517	9.1
56.05849	1.1
57.03448	1.5
57.07080	64.4
67.05508	11.6
69.07074	16.0
70.20637	5.0
71.04975	2.2
71.08624	2.6
79.05496	23.2
81.07059	24.7
83.05003	8.2
83.08628	8.0
85.06549	44.2
91.05493	8.3
93.07050	14.4
95.04975	3.6
95.08611	21.0
97.06527	4.7
97.10162	4.5
98.21350	2.1
99.04464	1.2
102.58457	1.1
105.04538	1.6
105.07022	15.5
107.04959	27.0
107.08585	9.2
109.06519	2.7
109.10172	11.4
113.05997	4.6
117.07001	1.4
119.08581	16.7
121.06494	6.8
121.10153	15.4
123.04452	1.0
123.08071	3.2
123.11714	15.9
123.59528	1.2
125.05997	100.0
125.09670	1.7
126.06318	1.3
127.03944	1.5
127.11166	1.4
131.08572	6.0
133.10136	10.0
135.08064	6.8
135.11702	4.9
137.09628	1.9
137.13243	4.3
139.07573	7.5
141.05475	4.4
143.07069	1.8
144.62309	1.3
145.10118	8.0
147.08093	2.5
147.11691	4.0
149.09631	24.0
149.13255	4.0
151.11177	1.4
151.14836	1.9
153.01828	15.2
153.09106	4.0
155.14343	2.4
157.10156	1.4
159.08063	3.1
159.11702	5.1
161.13249	2.9
162.07401	1.3
163.11201	1.2
163.14851	2.1
167.10706	2.0
171.11609	2.0
173.13286	5.1
175.11189	1.4
175.14864	1.4
177.09097	5.1
177.12796	1.4
177.16228	1.3
181.04990	1.4
181.12219	1.5
185.13307	1.9
187.14906	1.6
195.10239	1.8
205.19460	1.4
231.25990	1.1
241.19516	2.5
251.20183	1.2
294.89261	1.2
303.23175	2.2
321.27991	7.6
331.26306	1.8
331.29901	10.5
341.28455	2.3
359.29434	13.6
369.28033	4.4
377.30548	3.6
387.28836	3.1
387.32748	3.7
405.16214	1.5
405.20709	5.3
405.33649	66.0
406.33942	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.05509	7.6
57.03439	1.8
57.07077	100.0
67.05511	13.9
69.07066	12.7
71.04984	2.1
71.08635	20.7
79.05499	6.1
81.07059	26.9
83.08620	6.3
85.06545	63.2
85.10190	1.2
91.05493	3.4
93.07060	8.7
95.04978	2.4
95.08611	18.3
97.06535	1.9
97.10174	4.5
98.20850	4.1
98.21537	1.6
98.44939	0.9
99.08112	1.0
105.07053	2.7
107.08590	7.1
109.02849	1.3
109.06487	2.1
109.10149	10.0
111.04423	1.6
111.08086	1.6
111.11713	1.2
113.05967	1.0
113.09624	0.9
115.43589	1.2
117.07024	1.0
119.08595	2.4
119.31731	0.8
121.06512	1.5
121.10154	4.7
123.04446	1.1
123.08067	0.9
123.11707	7.5
125.02365	2.6
125.05980	1.9
127.03910	11.0
127.11210	2.4
131.08585	1.8
133.10083	1.6
133.51222	0.8
134.29749	0.9
135.08061	2.4
135.11693	2.7
137.05969	4.7
137.13225	3.0
139.03900	3.4
139.07616	1.2
141.11688	1.8
141.12744	24.2
145.06473	2.4
145.10115	2.0
147.11674	1.7
149.06020	1.9
149.09637	1.7
149.13333	1.6
151.07521	1.2
151.14790	2.5
153.01839	4.5
153.05489	2.0
153.12790	1.2
155.07039	15.6
155.08257	1.5
157.10182	1.4
159.08055	1.7
159.11554	1.1
161.13341	1.6
163.07576	1.7
163.11227	1.8
163.14836	1.3
165.05492	1.6
165.09123	2.6
167.07057	3.6
169.15817	1.5
177.09114	3.3
179.10751	1.3
181.04955	13.7
181.08604	2.6
183.13803	12.3
191.10751	1.0
193.08684	1.2
195.10143	1.5
203.10649	1.2
205.19510	1.2
215.18098	1.3
217.12239	2.3
223.20549	4.7
231.13736	2.0
233.19139	1.1
235.13197	2.0
243.21133	1.0
246.83304	1.1
249.15016	1.2
251.20067	9.9
251.23785	2.7
253.14365	3.7
261.22177	2.2
267.15982	3.6
279.23120	4.8
287.20322	1.2
303.19888	1.0
305.21066	1.1
321.24393	1.6
331.22797	5.1
375.16037	2.2
387.28943	9.1
390.18311	1.8
405.21057	16.5
405.25818	1.5
405.30017	10.8
405.34753	1.2
406.48935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85069	2.4
55.01889	3.6
55.05513	9.9
55.73081	2.5
57.07076	53.2
65.03931	2.9
67.05510	45.0
69.07069	22.0
69.41354	5.2
69.41768	16.2
71.04989	7.0
71.08636	40.5
79.05486	8.5
81.07061	34.3
83.04992	3.6
83.08643	14.4
84.70243	2.7
85.06538	10.2
86.57250	2.7
87.56722	2.4
91.05458	7.7
93.07053	17.3
95.04977	15.8
95.08610	20.2
97.06552	4.2
97.10161	9.0
98.21234	10.0
99.04459	8.0
105.07045	3.7
107.04943	3.2
107.08608	12.7
107.36029	2.8
109.06538	4.3
109.10177	12.8
111.11726	3.8
113.05999	4.7
119.08585	6.7
121.06490	5.3
121.10120	7.6
123.04449	15.5
123.08111	4.7
123.11709	13.2
125.06016	14.8
129.05449	3.2
131.08585	3.5
135.08038	4.0
135.11748	4.5
137.05962	2.8
137.09720	3.0
139.07565	7.8
141.05472	100.0
141.12752	46.3
145.10089	7.0
147.11717	3.6
149.02316	2.8
153.09119	3.7
155.07037	48.8
159.11716	3.1
163.11249	3.5
165.09164	4.2
167.07118	3.5
167.10681	4.0
181.04958	39.4
183.10164	2.7
184.03557	3.1
221.83636	2.7
223.20644	5.5
233.18890	2.9
251.20067	20.7
298.81213	2.6
321.28381	4.3
352.59311	2.8
369.31345	3.1
387.32715	17.4
405.16583	3.7
405.25604	2.9
405.33780	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3001
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
53.03933	0.6
55.01871	0.5
55.05513	4.4
57.03429	0.3
57.07079	2.3
65.03924	0.6
67.05506	2.9
68.99783	0.8
69.03419	0.6
69.06730	0.2
69.07071	4.6
70.87859	0.6
71.08639	1.0
73.92814	0.2
79.05497	1.5
81.03415	0.5
81.07065	3.1
83.01350	1.7
83.04981	2.0
83.08621	2.7
85.06545	0.4
85.10159	0.4
91.05491	0.7
93.07047	1.6
95.04968	0.6
95.08138	0.2
95.08627	2.7
97.06513	0.7
97.10186	1.8
105.07017	0.8
107.04967	0.3
107.08591	0.8
109.06499	0.3
109.10164	1.5
111.04438	0.8
111.08105	0.5
111.11707	0.8
119.04835	0.2
121.06493	0.2
121.10165	1.5
123.04451	0.9
123.08025	0.3
123.11716	0.4
125.02360	0.4
125.05977	1.0
126.20750	0.2
133.06528	1.0
133.10187	0.2
135.08037	0.2
135.11696	1.6
137.06012	2.2
139.03963	0.3
141.05472	6.2
143.08568	0.2
149.05965	0.3
149.13235	0.6
151.07556	1.9
152.32002	0.2
153.01819	0.6
153.05466	15.4
161.05986	0.7
163.03932	0.3
163.07573	0.5
163.11377	0.2
163.14803	0.3
165.01863	0.2
165.05472	0.4
165.16373	0.2
167.03404	100.0
168.03746	1.1
169.04984	4.8
175.07478	0.2
177.05458	1.0
179.07043	2.9
181.05014	0.8
183.06499	0.3
185.04486	0.4
191.07062	1.0
193.08708	0.3
195.06537	3.3
205.08618	0.7
207.10217	1.5
209.08130	0.6
219.10179	0.5
223.09598	0.5
247.24232	1.2
254.16035	0.2
263.28668	0.3
265.25317	0.8
281.22906	0.3
292.30640	0.2
294.58594	0.2
298.47864	0.2
335.22238	0.3
387.28882	1.4
405.21140	0.7
405.30008	26.3
406.30298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.04983	0.3
55.01871	0.6
55.05508	6.1
57.07081	3.3
58.85844	0.3
67.01857	1.5
67.05172	0.5
67.05509	7.4
68.99774	0.7
69.03423	0.8
69.06721	0.4
69.07072	6.5
69.57919	2.4
70.37189	0.3
71.04984	0.6
71.08627	1.0
79.05492	3.6
81.03424	0.4
81.07061	9.3
83.01324	0.5
83.04978	0.5
83.08627	7.5
85.06557	1.4
85.10203	0.3
87.73148	0.4
91.05498	0.6
93.07053	4.2
95.04946	0.6
95.08602	6.1
96.28368	0.3
97.02891	0.6
97.06522	0.6
97.10165	1.4
98.21186	1.3
99.08092	0.8
107.08603	2.6
109.10166	1.6
111.08129	0.8
111.11701	0.5
112.31475	0.4
119.08549	0.8
121.10140	4.8
123.11707	1.9
124.24136	0.3
125.05981	2.1
125.09604	0.7
125.13321	0.4
127.03921	10.3
133.10098	0.5
135.11681	3.2
137.13242	1.6
139.07513	0.4
139.11180	0.9
141.05455	0.7
149.13245	1.2
151.03862	0.9
153.01833	100.0
154.02139	0.6
163.14746	0.3
167.03406	0.5
167.10623	0.5
169.04971	2.4
205.04965	0.4
219.21111	1.7
237.22112	3.8
253.25348	1.4
279.23059	1.0
321.28152	0.5
387.25107	1.9
387.32864	0.5
405.20569	1.2
405.26343	2.7
405.33560	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01862	3.0
55.05507	16.4
57.03421	5.6
57.07077	30.1
65.03941	1.8
67.05506	22.9
69.03417	3.0
69.07073	18.7
70.82750	3.3
70.83068	2.9
71.01322	3.3
71.04987	4.8
71.08623	11.5
79.05495	18.4
81.07058	39.5
83.04976	14.5
83.08623	9.4
85.06542	10.5
85.10186	40.1
91.05472	11.9
93.07037	27.3
95.04998	3.2
95.08038	3.1
95.08604	38.1
97.06517	8.0
97.10159	6.0
99.08108	13.1
105.07021	7.7
107.04968	2.2
107.08602	16.2
109.06514	7.4
109.10159	19.9
111.08110	2.3
111.11701	2.4
113.05930	2.5
113.08872	3.7
113.09650	76.0
117.07018	3.2
119.08588	12.8
121.06489	4.3
121.10158	22.2
123.08054	7.1
123.11709	13.0
127.11190	2.3
131.08563	3.2
133.10156	10.1
135.08029	4.6
135.11703	21.5
137.05986	24.6
137.09575	6.7
137.13248	3.5
139.07556	2.8
139.11176	16.2
141.12750	13.2
145.10092	4.1
147.08041	2.0
147.11646	4.5
149.09563	5.1
149.13235	5.1
151.07492	2.5
155.07040	100.0
155.10660	60.6
159.11670	4.4
161.13222	2.2
163.11159	2.6
163.14746	2.2
165.12747	1.8
167.07028	7.3
173.13246	1.9
175.14890	3.3
177.09055	4.2
181.04962	40.3
183.10187	2.0
191.07063	3.8
191.17960	2.2
201.16266	2.8
205.19519	3.7
223.20505	15.1
233.18980	5.6
251.20088	38.0
275.23740	2.4
285.22180	2.5
303.23196	13.8
321.24265	9.0
331.22433	2.1
331.29993	2.3
349.23868	4.1
359.29504	3.1
367.24759	2.8
369.27777	4.0
387.29041	5.1
405.30103	10.5
418.77396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.8
67.05505	50.2
69.31728	19.5
69.32155	28.1
79.05511	26.4
81.07056	52.8
91.05475	24.4
93.07040	30.4
95.08602	41.0
98.21124	26.4
105.07045	18.1
107.08598	14.4
109.10136	17.0
115.20712	5.0
117.07019	6.3
119.08563	8.2
121.10100	15.3
123.11700	10.0
131.08595	8.2
133.10199	7.6
135.11664	14.9
137.06041	9.2
149.13254	10.8
155.07031	42.2
159.11655	10.2
165.48019	4.8
167.07077	29.6
173.13283	6.9
181.04950	100.0
189.16306	6.9
191.07137	6.8
204.58325	6.0
209.08070	6.4
215.17842	17.7
219.36580	5.8
233.15410	6.3
233.18849	7.9
283.18112	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	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.0
55.05518	7.4
57.03442	1.9
57.07077	100.0
59.05002	1.4
62.00706	1.3
65.03940	1.4
67.05505	20.9
67.80289	1.3
69.03429	1.5
69.07071	14.6
69.40959	9.5
71.04985	1.2
71.08635	41.4
71.83079	1.4
79.05477	10.2
81.06574	2.0
81.07059	37.2
83.01338	1.6
83.04982	3.1
83.08607	6.1
85.06543	42.8
91.05478	4.5
93.07061	9.4
95.04962	5.8
95.08611	19.5
97.02924	1.5
97.06537	3.1
97.10210	2.8
98.20897	4.5
105.07006	4.0
107.08585	8.9
109.06522	4.4
109.10155	9.9
117.06969	1.8
119.08571	3.8
121.06538	1.8
121.10149	6.8
123.08038	2.1
123.11707	12.9
125.02362	2.3
125.05984	1.5
127.03924	15.5
127.11111	1.5
131.08598	1.8
133.10153	2.7
135.08067	3.9
135.11737	4.9
137.05969	10.5
137.13222	2.5
141.12747	53.7
143.08482	2.0
145.10124	2.7
147.11714	2.1
149.09694	3.1
149.13240	2.0
153.01831	4.1
153.05467	2.0
153.09071	2.1
153.12708	3.0
155.07019	36.1
159.08096	2.3
163.07503	2.0
165.09129	3.0
167.07108	4.1
169.15813	1.7
177.09062	3.5
179.10565	1.5
181.04971	32.0
183.13811	10.8
205.19708	2.2
223.20599	6.5
233.18996	1.6
251.20078	19.8
251.23671	1.9
253.14230	1.9
261.22037	1.8
267.15894	3.0
279.23093	5.6
286.80890	1.4
331.22659	2.0
387.28915	6.2
405.21155	12.5
405.29782	5.3
428.95602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05513	6.2
57.03434	0.6
57.07081	5.0
64.11044	0.3
65.03954	0.4
67.01857	1.0
67.05510	7.0
68.99781	0.8
69.03428	1.2
69.07070	6.4
70.30428	0.9
71.04965	0.4
71.08625	0.9
79.05500	4.2
81.03397	0.5
81.07059	9.7
83.01337	0.5
83.04967	0.7
83.08622	7.9
85.06548	2.2
91.05468	1.2
93.07050	4.8
95.04967	0.6
95.08609	7.5
97.06530	1.5
97.10177	2.2
99.04452	0.4
99.08078	1.0
101.09679	0.4
102.18414	0.3
105.07064	0.5
106.16722	0.3
107.08581	2.4
109.06548	0.5
109.10155	2.9
111.08075	1.0
111.11721	0.7
113.06007	0.8
119.08588	0.4
121.06510	0.5
121.10150	6.1
123.04449	0.5
123.11699	2.3
125.06004	4.1
125.09619	1.0
127.03920	10.2
127.04804	0.8
127.11172	0.4
133.10173	0.6
135.08023	0.5
135.11694	4.0
137.13231	1.1
139.03963	0.4
139.07550	1.4
139.11168	0.9
141.05493	0.9
143.07016	0.7
147.11673	0.5
149.13249	1.0
151.03905	1.2
153.01833	100.0
153.09128	0.6
154.02174	0.5
159.11725	0.6
163.14827	0.5
167.03421	0.6
167.10638	0.5
169.04918	2.7
170.03491	0.4
177.16434	0.5
181.05006	1.1
181.12254	0.5
195.13843	0.7
211.09425	0.4
219.21075	2.2
236.06516	0.4
237.22136	4.3
253.25351	1.2
255.38008	0.4
279.23120	1.0
279.25970	0.4
281.28311	0.5
300.16730	0.4
309.25961	0.4
321.27960	1.1
375.15842	0.8
387.25021	2.2
387.32703	0.6
390.18295	0.9
405.20673	3.7
405.26309	2.7
405.33533	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	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.1
55.05516	14.5
57.03441	6.0
57.07078	100.0
64.38828	2.0
67.05503	21.8
69.03439	2.1
69.07075	20.3
69.57362	7.1
69.57793	8.2
71.04993	4.4
71.08608	4.0
72.96041	2.1
79.05497	15.4
81.07061	34.8
83.01349	16.1
83.04983	8.6
83.08612	7.1
84.57477	2.3
85.02913	3.4
85.06547	65.2
85.09709	3.8
85.10190	43.3
91.05495	6.6
93.07042	15.3
95.04983	6.1
95.08609	35.6
97.06529	2.8
97.10170	6.1
98.20776	5.5
98.21418	5.3
99.08105	5.6
105.07038	7.0
107.04935	2.4
107.08573	11.2
109.06517	4.1
109.10181	20.2
111.08133	4.0
111.11769	2.6
113.09650	69.1
117.07011	2.2
119.08571	5.9
121.06500	12.2
121.10135	17.1
123.04435	8.0
123.11732	9.1
125.06019	7.3
133.10162	3.6
135.11661	10.6
137.05991	7.5
137.13280	3.6
139.03902	9.4
139.11172	19.0
141.05493	5.1
141.12756	17.0
145.10129	2.8
147.11696	2.6
149.05997	5.0
149.09631	4.2
150.87357	2.3
151.07610	2.8
153.05476	32.4
155.07034	93.5
155.10675	49.4
158.85342	2.2
163.07581	2.6
165.09103	3.5
165.16460	3.9
167.05641	3.7
167.07054	69.2
169.38040	2.4
175.07555	2.4
177.09132	7.0
179.07080	2.5
179.10666	3.9
181.04950	34.6
181.08578	3.6
191.10696	5.8
193.08669	4.1
205.19629	2.4
215.18021	2.9
223.20570	11.9
233.15268	2.6
233.19005	4.6
235.87962	2.2
251.20120	28.0
253.14386	5.0
303.23041	11.1
321.24188	5.5
331.22702	2.4
387.29056	19.1
405.30057	40.8
405.34851	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84792	0.5
53.03941	0.7
55.01867	0.7
55.05495	1.6
65.03950	0.6
67.01859	1.6
67.05493	1.9
69.03382	0.8
69.07052	1.9
69.75696	2.1
69.76106	0.9
79.05499	2.4
81.03406	0.9
81.07066	7.5
83.04975	2.0
83.08610	1.4
85.02924	0.7
85.06535	0.9
86.68111	0.5
91.05490	4.4
93.07053	9.8
95.04967	1.6
95.08595	4.2
97.06513	0.6
98.20814	0.7
98.21371	1.1
105.06407	0.6
105.07039	2.9
107.04972	1.2
107.08611	3.6
109.06525	1.5
109.10152	2.1
111.08083	1.6
117.07016	1.3
119.04953	0.9
119.08591	3.2
121.06524	3.6
121.10155	5.5
123.08097	0.6
123.11691	1.7
125.06015	0.8
129.07016	0.7
131.08559	2.2
133.06517	0.6
133.10126	2.3
135.08072	1.2
135.11716	2.1
137.05975	3.5
137.09650	0.8
139.07515	4.8
143.08517	1.1
145.10097	3.7
147.04420	1.6
147.11687	1.3
149.06003	5.9
149.13246	0.8
151.07536	0.8
152.50195	0.5
153.05458	0.9
155.06985	0.8
156.09274	0.7
157.10153	1.1
159.11679	2.2
161.05963	1.0
161.13242	1.2
163.11203	1.1
167.07043	100.0
168.07408	1.9
171.11745	1.4
173.13271	1.1
175.14844	0.8
177.05525	0.5
179.07043	1.0
181.04999	0.9
181.12257	1.5
183.11650	0.6
185.13257	1.6
187.14854	3.5
191.10681	0.6
197.13306	0.6
199.14915	1.5
201.12529	0.7
201.16444	1.0
211.14813	1.0
213.16362	0.7
251.20035	1.2
387.25391	1.1
405.25894	1.7
405.31412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	plakortolide S
Peak:m/z	Relative Intensity
50.90004	6.3
51.60349	5.2
52.91429	5.3
55.05509	6.5
67.05215	6.1
67.05509	69.7
67.62055	4.8
69.57571	39.4
70.13686	5.0
79.05486	9.8
81.07064	74.0
91.05486	8.8
93.07037	19.7
95.08617	55.6
98.20887	12.2
107.08598	9.7
109.10149	26.7
112.83699	5.4
118.00579	5.4
121.10129	8.2
123.11723	10.1
127.03932	17.9
136.10507	4.9
139.03915	29.8
147.11731	7.8
153.01837	100.0
153.05464	7.7
155.03392	8.1
165.05511	11.2
181.04912	6.9
217.19461	7.2
232.83171	5.5
257.18527	5.6
261.22418	10.7
269.54547	6.1
419.72742	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	405.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49427	1.3
52.86631	1.3
53.03939	1.7
54.55425	1.2
57.03425	3.9
60.51502	1.3
61.02927	1.8
69.03432	7.9
69.85326	6.5
71.05013	3.8
79.01857	3.3
81.03415	9.6
85.02909	18.7
89.87222	1.2
91.03983	1.6
97.02887	5.2
98.20770	2.5
98.21413	2.7
99.04462	1.8
107.01339	2.0
109.02875	9.8
111.00805	1.5
123.04414	1.6
125.02374	2.7
126.03188	3.1
127.03929	13.7
141.05489	11.3
143.03426	5.8
145.04979	4.9
153.01839	100.0
153.02811	4.1
169.04979	27.5
171.02890	10.4
173.31799	1.3
243.13506	3.6
259.11032	1.6
297.06033	4.7
315.07092	10.0
373.12646	1.5
405.17526	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	405.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
58.47297	1.0
60.61506	1.1
62.49570	1.1
69.03418	3.8
70.14658	4.4
71.04966	1.9
79.01852	3.3
81.03420	4.6
81.07063	1.5
83.79011	1.1
85.02921	6.8
87.72623	1.1
88.86452	1.1
91.05483	1.5
95.02413	1.5
95.04951	1.5
97.02882	4.2
98.20919	1.8
104.30730	1.2
107.83882	1.1
109.02846	6.2
113.02337	1.3
113.03506	2.7
121.52606	1.1
123.04447	6.4
125.02348	3.5
127.03915	12.8
127.04840	2.1
136.80634	1.0
143.03394	6.6
147.04443	1.8
153.01837	100.0
153.02893	5.2
165.05511	3.1
171.02893	10.9
183.06606	1.4
243.13469	6.3
252.97829	1.6
259.11115	1.8
297.05939	3.0
315.07123	9.4
373.12820	3.8
405.17578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01866	0.8
55.05516	1.1
57.03418	0.5
65.03945	1.3
66.05124	0.5
67.05505	2.0
68.08766	0.5
69.07088	3.0
70.49693	1.8
71.69589	0.5
77.03902	0.5
78.04718	1.5
79.05495	5.5
81.07058	1.3
85.02886	1.5
91.05476	4.7
93.03402	0.6
93.07028	2.4
95.04973	7.9
95.08598	1.5
97.06531	0.9
98.20846	0.6
98.21350	0.9
103.05492	2.8
105.04489	1.1
105.07034	5.0
106.04197	0.9
107.04964	28.4
107.08567	0.5
109.06487	0.5
115.05452	1.7
117.07023	2.1
119.04918	0.6
119.08574	0.8
120.05671	0.7
121.06533	3.5
123.04436	9.4
123.08089	1.2
124.05265	3.0
125.06001	1.9
128.06284	0.9
129.07010	1.3
130.07771	1.8
131.04942	0.7
131.08583	2.6
133.10144	0.8
135.04359	0.8
135.08064	5.5
137.05962	2.9
138.03140	0.5
140.04707	3.1
142.10252	0.5
143.08546	2.2
145.06473	1.0
145.10127	6.4
147.04391	1.2
147.08086	0.7
149.06017	1.2
151.03943	2.1
151.07558	6.0
152.04695	2.2
153.05444	1.5
154.06233	1.3
155.07030	4.1
155.08440	1.3
157.06419	0.8
158.07269	4.7
159.08072	2.1
161.09593	0.9
163.03938	0.6
163.07559	7.8
163.11171	1.8
163.27580	0.5
165.05450	0.7
166.06328	0.6
167.07051	100.0
168.04147	0.6
168.07390	1.5
171.06483	0.7
173.09648	8.8
177.09151	0.7
180.07837	1.8
181.03371	1.1
181.04977	21.4
181.08580	10.7
183.06551	6.4
186.06720	0.7
189.09093	2.2
191.10646	2.7
192.07828	0.6
193.08711	0.6
195.10188	16.3
201.09119	17.7
207.10216	1.5
211.09662	1.1
218.09363	1.1
219.10190	20.6
221.11659	1.0
223.13232	2.6
233.11720	9.3
251.12811	33.9
347.67261	0.5
355.15472	1.8
387.17810	0.8
421.73096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1911
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03933	2.4
55.01868	1.5
55.05502	1.3
60.62281	0.6
62.33225	0.7
63.85518	0.7
65.03930	2.5
67.05501	3.0
67.51295	0.8
69.03427	1.2
69.07065	4.7
71.57761	0.9
78.04726	1.0
79.05497	8.4
81.03401	1.4
81.07055	3.8
83.04990	1.7
83.08620	0.9
85.02908	1.4
91.05495	8.7
93.07051	4.0
95.04984	9.2
95.08604	2.6
97.06525	1.2
97.10196	0.9
98.21115	0.9
103.05484	3.7
105.03425	0.7
105.04504	0.8
105.07042	7.5
106.04187	1.2
107.04965	29.9
107.08577	2.8
109.06532	1.8
109.10161	1.3
110.03700	1.3
111.04398	1.0
115.05453	2.7
117.07027	1.5
119.04952	3.7
119.08575	2.1
120.05635	0.9
121.06527	5.7
121.10159	2.1
123.04448	10.6
123.08094	1.7
123.11712	1.0
124.05233	2.5
125.06005	3.1
125.09684	1.1
128.06268	1.3
129.07011	2.0
130.07800	1.2
131.04979	2.0
131.08569	1.3
133.02814	0.8
133.06491	2.4
133.10196	1.6
135.08060	5.6
135.11650	1.1
137.05980	11.3
137.13252	0.8
140.04692	2.8
140.96878	0.8
143.08568	3.1
144.05786	0.7
145.06506	1.5
145.10141	6.9
147.04428	5.6
147.08101	1.5
147.11696	1.0
149.06013	3.3
149.09592	0.8
151.03932	2.2
151.07553	4.1
152.04721	1.7
153.05536	1.5
154.06235	1.3
155.07042	4.4
155.08376	0.9
157.10086	1.1
158.07275	5.3
159.08015	1.6
159.11720	1.5
161.06017	3.2
161.09621	0.8
161.13252	0.7
163.03976	1.1
163.07559	7.0
163.11192	3.2
165.05528	1.5
165.09148	1.2
167.07056	100.0
168.07486	1.1
171.06557	1.0
171.11711	1.3
173.09627	9.2
175.07526	1.5
177.05478	1.3
177.09161	0.8
179.07059	3.0
180.07787	2.0
181.04979	20.4
181.08585	13.2
183.06554	7.4
183.09203	0.7
183.11638	0.9
185.13252	0.8
186.06741	0.7
187.14850	1.3
189.09151	2.1
191.10698	4.8
192.07829	0.9
193.08607	3.0
195.06560	1.7
195.10190	16.9
201.09129	15.8
203.06947	1.4
207.10213	1.6
209.08148	1.1
211.09612	1.0
219.10179	17.2
221.11754	1.0
223.13353	3.3
233.08083	1.0
233.11736	9.3
251.12817	35.5
252.13322	1.1
265.08359	0.9
287.88937	0.7
323.12738	1.1
345.13477	0.7
355.15436	2.3
387.18109	1.4
387.25345	1.0
405.26099	1.1
405.31439	1.2
419.73495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.3
67.05482	12.7
69.03426	17.7
71.04993	12.4
71.05921	14.9
79.05487	20.8
81.03437	17.7
81.07063	27.6
85.02911	24.6
91.05483	34.1
93.07054	33.3
95.04956	7.1
95.08617	13.5
97.02914	21.4
98.21133	9.9
99.04472	34.9
105.07040	100.0
107.04956	12.9
107.08626	26.9
109.02902	12.8
109.06548	18.2
109.10188	19.1
111.08087	13.0
117.06998	9.0
119.04919	10.7
119.08579	29.9
121.06528	9.9
121.10134	8.6
123.04447	6.8
123.08081	25.7
127.03925	12.7
131.08498	8.6
133.06497	17.6
133.10146	95.7
135.11671	13.4
137.05998	22.2
137.09660	10.3
141.40497	8.3
143.08630	13.7
145.10173	7.2
147.04433	25.0
149.09671	12.5
151.07570	19.9
161.09634	86.9
161.13252	14.8
163.11195	31.5
165.09131	37.5
167.06982	10.5
168.07365	9.5
171.11797	11.1
179.10640	42.0
181.04959	8.7
188.18369	6.9
189.09114	38.2
189.12804	14.3
207.10228	26.2
207.13846	34.9
225.11220	31.7
225.14870	26.5
333.13290	7.7
351.14374	24.5
374.74368	8.2
376.14685	13.5
404.14096	11.5
420.32874	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
53.89334	0.8
67.05497	1.1
69.03438	1.8
70.56012	1.4
79.05476	1.0
80.41490	0.8
81.03434	0.9
81.07046	1.3
83.04974	2.2
85.02907	3.3
91.05510	3.5
93.07007	0.9
95.04981	1.1
95.08607	3.9
97.02879	1.0
97.06537	0.9
98.21218	0.9
99.08109	0.8
105.07026	1.3
107.04892	0.8
107.08592	1.2
109.02843	0.8
109.06509	2.3
110.35208	0.7
111.04485	1.5
119.08594	1.7
119.79536	0.7
121.06478	0.8
121.10174	2.9
123.08072	100.0
124.08449	1.0
125.05969	0.9
127.03882	0.9
135.11708	1.2
147.11601	0.9
149.09673	1.0
153.01833	2.2
163.11176	1.1
181.05107	0.8
181.12259	9.3
201.41827	0.9
207.13870	2.9
221.84274	0.7
225.14850	8.8
318.28259	0.9
327.09695	1.0
345.10803	1.0
373.10242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24817	3.7
55.05511	7.3
69.03442	10.2
69.79142	17.1
70.06591	13.8
71.04991	9.1
79.05491	10.9
81.03439	6.0
81.07069	9.1
83.04997	7.2
85.02901	21.0
85.06535	7.9
91.05483	46.8
93.07043	7.3
95.04981	10.7
95.08609	10.9
95.57561	4.5
97.02849	7.4
97.06485	4.1
98.20788	7.5
98.21416	8.6
105.03405	13.8
105.07043	56.2
107.04990	9.2
107.08579	20.1
109.02859	8.1
109.06544	9.0
117.07043	6.0
119.04951	8.6
119.08573	51.8
121.02866	14.0
121.06545	4.9
121.10147	16.7
123.04462	11.6
123.08062	7.9
124.07613	6.8
127.03938	8.2
131.08566	10.7
133.06442	6.3
137.05965	9.6
137.09613	12.8
143.03435	7.9
145.04933	5.1
145.10123	16.5
147.11690	74.1
149.05981	5.1
149.09605	14.8
151.07530	10.2
152.83258	4.1
158.05634	9.7
158.08116	4.6
161.13188	6.6
163.11212	8.5
166.08719	3.9
167.07050	9.9
171.11652	6.9
175.69446	4.4
177.12772	4.0
179.07050	11.8
181.05008	7.9
189.09161	4.8
189.12755	54.8
193.08766	9.6
207.13832	100.0
224.08348	4.2
225.14977	5.2
282.76074	4.5
289.32797	4.5
303.10394	14.9
304.10876	43.2
315.08780	4.7
330.14359	4.1
351.18369	4.2
386.13205	4.3
404.16266	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63867	1.7
57.03430	5.3
60.27303	1.4
65.03899	1.8
67.05529	2.1
69.03419	2.8
70.06579	3.4
71.30185	3.7
73.02919	1.9
77.80241	1.4
83.05006	2.2
85.02889	5.1
91.05482	100.0
95.01308	2.5
97.02852	2.7
105.03387	2.3
105.07032	4.2
109.06535	2.1
113.35143	1.5
117.06975	2.0
119.08591	3.7
123.04367	3.4
137.05986	8.6
141.01839	5.4
145.10217	1.7
147.11687	5.7
149.09636	2.2
151.07497	1.7
154.08669	2.0
168.07396	1.5
169.86990	1.7
177.12872	1.5
189.12762	2.5
193.08612	45.6
207.13805	6.0
211.09656	12.4
234.29332	1.5
242.13893	4.4
276.24884	1.8
298.76196	1.6
304.10831	1.9
404.16083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.03939	3.4
55.01833	0.8
57.03427	1.4
59.04995	1.0
59.41050	0.8
63.70359	0.8
69.03429	9.2
71.04976	2.2
71.56625	1.1
73.02914	1.5
78.03458	10.7
80.05003	2.1
81.02973	1.2
81.03420	17.5
81.48258	0.7
83.04974	1.5
84.04508	1.0
85.02910	8.9
96.04502	4.6
97.02892	5.1
99.04470	1.9
101.05995	4.0
106.02916	49.8
109.02879	10.1
121.58956	0.8
124.03958	100.0
125.04335	1.2
126.05503	1.0
127.03933	7.1
138.05489	0.9
145.04933	1.8
153.01881	5.7
153.02910	1.2
154.02177	2.2
154.04982	0.8
166.05070	1.1
169.05013	2.3
172.55035	0.7
196.05849	0.9
200.07402	1.5
215.21516	0.8
232.06146	2.8
242.10213	1.2
250.07112	15.8
257.09656	1.8
268.08167	55.8
269.08502	1.9
286.09265	2.3
303.01138	1.2
404.15863	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01849	0.8
55.05505	3.4
57.03441	0.9
61.02916	0.7
68.05007	0.8
69.03434	3.2
69.51443	1.5
69.51849	2.9
70.06593	20.7
73.06555	7.7
79.05490	7.6
80.05013	1.8
81.03411	2.5
81.05798	3.9
81.07060	7.9
82.02934	1.2
83.03715	1.2
83.04971	2.2
85.02911	5.0
86.06074	1.7
91.05496	1.0
93.07039	0.9
93.75954	0.6
94.06594	0.9
95.04993	1.1
96.04503	3.5
96.08129	12.3
97.02885	2.6
97.06573	0.8
98.21519	0.9
101.06018	0.6
105.03420	0.7
106.06524	0.9
107.04953	1.6
107.51901	0.6
109.02867	1.1
109.05265	0.8
112.07591	3.5
113.07964	0.6
119.04938	0.9
121.06523	0.9
123.04429	10.8
124.07590	100.0
125.07921	1.0
127.03890	1.8
138.09149	2.3
142.08633	69.1
143.08934	0.7
145.04977	2.5
147.04376	2.9
149.05948	1.2
152.76982	0.7
156.10243	3.0
163.06097	0.6
165.05524	1.5
177.05484	9.2
221.08101	1.5
234.07658	1.0
265.23471	0.7
276.67160	0.7
304.13968	2.4
329.10333	3.2
386.16058	8.5
404.18686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	0.7
55.05511	10.0
57.03436	1.0
57.07077	3.7
65.31227	0.6
67.05502	5.3
69.03433	1.0
69.07067	24.5
70.96811	0.6
71.08614	1.5
71.57063	0.9
75.55270	0.6
79.05490	2.6
81.07060	7.1
83.01345	6.2
83.04980	1.4
83.08616	10.0
85.06546	1.3
86.09707	0.7
91.05478	2.1
93.07039	3.7
95.04941	1.1
95.08607	9.2
97.06535	2.9
97.10170	4.4
98.21256	0.7
105.07012	2.1
107.04910	0.9
107.08598	4.1
109.06528	1.8
109.10148	4.5
111.08070	2.1
111.11737	1.8
119.08599	1.9
121.06480	1.4
121.10133	3.6
123.08076	3.8
123.11716	2.3
125.06004	3.9
125.09625	2.4
127.07545	2.4
129.01808	1.6
132.97475	0.7
133.10152	1.5
135.08047	1.0
135.11681	1.7
137.05980	0.7
137.09642	2.6
137.13258	1.4
137.40785	0.6
139.07539	14.3
139.11224	2.4
145.10129	0.8
147.11644	1.0
149.09587	0.8
149.13264	1.5
151.11174	3.7
153.05470	1.1
153.09117	4.1
153.12779	0.8
157.10100	0.8
159.11681	0.8
161.13213	1.1
163.11215	0.7
165.09073	0.8
167.07065	0.8
167.10724	3.3
169.07607	0.7
179.10526	1.1
179.14313	1.5
181.05013	1.5
181.12239	7.4
189.12775	0.7
193.07678	0.7
193.12305	1.0
195.09216	0.9
195.13789	9.8
198.86290	0.6
207.13757	3.4
209.15422	4.3
219.09068	0.8
221.10712	0.7
221.15312	1.1
223.15051	0.7
223.17010	2.7
235.16937	1.0
237.18526	1.8
251.20105	2.5
257.11090	0.8
263.20087	1.2
265.21643	3.9
270.10327	0.8
271.10938	0.8
272.11627	0.8
277.21600	2.5
279.23245	2.0
284.11859	1.1
291.23248	1.2
293.24966	1.1
299.27591	0.7
307.26270	1.1
308.11591	0.7
319.10614	0.8
321.27890	1.8
332.11810	1.5
333.12604	1.1
333.27911	1.0
334.13391	0.9
335.29486	1.4
344.11600	1.2
345.11520	1.4
346.13321	1.3
347.13721	1.5
347.29541	2.2
348.15189	0.6
357.12332	1.3
358.12335	3.1
359.12903	7.4
360.13849	3.8
361.15091	2.0
370.13580	0.8
371.13727	2.3
372.13797	3.6
373.14368	11.0
374.15198	5.3
375.16046	6.1
376.17419	0.9
385.23749	0.9
385.34766	1.1
386.15448	3.4
387.16107	16.7
388.12912	1.8
388.16922	16.0
389.17429	2.8
401.13303	1.3
401.18219	2.9
402.14343	2.4
402.19040	3.3
403.15225	38.1
403.19205	100.0
403.35733	43.9
403.41162	1.2
404.15704	3.7
404.20343	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	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01875	4.7
55.05511	21.5
57.07076	4.6
67.05506	40.2
69.07071	28.0
69.54520	7.5
69.54946	6.1
70.93007	1.8
79.05498	21.2
79.46667	1.8
81.07066	55.5
83.01344	22.0
83.04988	7.8
83.08642	13.2
91.05496	15.7
93.07047	20.8
93.34325	2.1
95.04936	2.3
95.08611	31.6
97.06524	4.7
97.10184	6.7
98.20837	4.0
103.54759	1.8
105.07013	9.8
107.08598	8.0
109.06535	13.1
109.10171	14.2
111.04415	2.5
117.06999	2.3
118.37760	2.4
119.08589	10.3
121.06540	2.9
121.10151	4.1
123.08099	9.8
123.11674	4.3
125.06001	9.2
127.07558	20.2
131.08562	1.9
133.10138	8.3
135.08046	6.9
135.11740	3.1
137.05965	5.9
137.09642	5.3
138.06833	2.2
139.07553	11.8
144.68973	2.0
145.06477	2.1
145.10184	2.4
147.08096	3.7
147.11703	3.2
149.05965	8.6
149.09612	5.0
151.07552	28.3
151.14789	2.4
152.04738	4.6
153.05492	8.0
153.09068	3.1
153.44504	2.3
159.07996	2.9
159.11641	2.3
161.09641	4.1
163.07567	16.4
165.09106	20.3
167.07059	15.1
169.08615	98.8
175.07567	4.3
177.05579	5.4
177.09148	6.2
179.07057	2.1
181.04993	2.2
181.08595	24.4
189.09071	6.4
191.07027	8.4
191.10698	2.4
191.17996	6.0
192.07841	4.4
193.08649	3.2
195.06543	100.0
195.10210	5.9
201.09032	2.3
205.08641	6.1
207.10155	12.6
211.09509	9.6
212.28120	2.1
213.07565	23.9
213.09235	2.5
217.19513	5.5
219.10121	2.2
223.09671	31.5
233.11751	6.6
235.13364	3.1
237.11330	2.8
245.11859	6.4
247.13431	3.0
251.12808	3.8
259.13126	2.1
259.20514	2.5
281.85391	2.0
321.20462	2.2
327.32053	2.2
385.27405	34.7
403.14316	2.4
403.19382	5.8
403.28436	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	403.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40434	0.6
53.03943	1.1
55.05512	10.7
57.07088	5.1
67.05513	4.0
69.03414	0.7
69.07073	24.2
71.08627	2.9
71.57704	1.0
79.05508	1.9
81.07059	7.8
83.01350	6.5
83.04974	1.0
83.08630	8.8
85.02943	0.8
85.06547	1.5
86.09718	0.8
91.05495	1.4
93.07041	2.9
95.04980	0.9
95.08620	8.9
97.06537	2.6
97.10162	3.9
105.07045	1.2
107.08589	4.0
109.06554	1.2
109.10159	4.5
111.08076	1.7
111.11741	1.8
119.08590	1.5
121.06471	1.1
121.10114	3.5
123.04414	0.9
123.08054	4.1
123.11719	2.8
125.05994	5.6
125.09687	2.9
126.06837	0.6
127.07551	2.4
129.01875	1.3
133.10146	1.1
135.08037	0.8
135.11714	1.9
137.09619	1.7
137.13286	1.3
139.07539	17.6
139.11189	1.9
145.10213	0.8
147.11768	0.7
149.13148	1.1
151.11177	2.6
153.05525	1.1
153.09111	3.2
153.12718	1.7
154.06503	0.7
163.11165	0.9
165.12726	1.0
167.10667	5.0
179.14301	0.9
180.37254	0.7
181.04929	0.9
181.12233	7.5
185.08150	0.8
193.12279	1.8
195.13818	10.3
207.09166	0.7
207.13855	4.7
209.15318	4.3
221.15361	1.3
223.17007	2.3
237.18587	1.5
251.20166	3.0
265.21530	4.0
277.21655	2.5
279.23212	1.2
282.10410	0.7
284.11914	0.7
284.86084	0.6
291.23257	1.4
293.24811	1.1
307.26343	1.5
310.13358	0.9
320.11877	0.7
321.27936	2.5
322.13440	1.1
327.13251	0.7
331.66278	0.7
332.11682	1.2
333.28091	0.9
335.29251	1.1
344.11111	0.9
345.11505	1.4
346.13348	2.0
347.14035	1.2
347.29514	1.7
348.14514	1.1
357.11548	0.9
358.12671	2.0
359.12885	6.7
360.13986	4.2
361.14975	1.4
362.16510	1.0
370.13495	1.2
371.13455	1.3
372.13760	4.2
373.09872	0.8
373.14490	11.0
374.15195	6.2
375.16031	6.2
376.17035	1.4
385.14661	1.4
385.34750	1.2
386.15671	2.7
387.12018	1.1
387.16168	13.2
388.16974	16.2
389.17569	1.9
401.13394	1.5
401.17630	2.5
402.14130	1.8
402.18677	4.1
403.15259	39.7
403.19217	100.0
403.35739	47.1
404.15622	3.4
404.20309	12.8
404.36191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
53.24020	1.0
55.01863	2.9
55.05512	9.6
57.06108	1.0
57.07068	3.3
61.21240	1.1
65.03927	1.6
67.05165	1.8
67.05505	25.6
67.05865	1.4
68.99793	5.3
69.03416	1.4
69.07074	11.4
70.11425	3.6
79.05498	9.5
81.03383	1.4
81.06583	1.4
81.07059	26.4
83.04991	1.6
83.08631	6.5
83.68897	1.1
85.06551	1.3
91.05486	7.4
93.07040	10.0
95.04971	6.1
95.08606	19.0
97.06534	2.0
97.10167	3.5
98.20861	1.6
98.21383	2.2
105.07024	3.5
107.04964	2.3
107.08592	5.1
109.10159	9.0
111.04411	2.4
111.08086	1.3
111.11742	1.2
119.04951	2.5
119.08582	4.1
121.10144	4.7
123.04428	14.3
123.08118	1.4
123.11715	5.1
124.01572	1.1
125.05946	5.8
127.03899	1.1
129.01834	5.8
133.10121	3.5
135.11714	3.2
137.05983	4.6
137.13240	2.8
139.03906	6.3
141.04518	1.5
141.05486	15.5
147.04297	1.5
147.11740	2.5
149.13197	2.7
151.03876	1.4
151.07553	5.3
151.11169	1.1
152.01083	1.5
153.01849	9.2
153.05466	59.8
157.01340	2.1
157.10239	1.1
161.13249	2.4
163.14883	1.2
165.05437	1.5
165.42422	1.0
167.03407	100.0
167.07040	4.4
169.04999	4.0
170.02087	2.2
175.14839	1.9
177.05470	3.6
179.07028	14.7
181.04924	2.2
185.08063	1.1
189.09142	1.5
191.07016	1.5
195.06589	7.3
205.04938	1.8
205.08580	1.6
207.10175	11.3
217.08673	1.5
219.10144	1.5
219.21031	1.9
221.11687	1.9
223.09659	2.3
237.11343	1.0
245.22655	4.4
263.23682	3.2
277.17899	1.2
290.63086	1.2
305.21033	1.4
309.96808	1.2
312.22842	1.2
319.22479	2.4
334.15536	1.2
385.27420	3.1
403.14343	2.2
403.28506	22.4
403.39838	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	403.2843
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
51.23037	0.4
52.68341	0.4
53.03930	1.1
55.01864	1.1
55.05269	0.5
55.05512	8.0
57.07060	1.8
65.03931	0.7
67.05173	0.5
67.05508	8.7
68.99803	0.7
69.03426	0.9
69.07072	9.6
69.38044	1.7
69.38466	1.6
71.08604	0.7
73.12714	0.5
79.05492	3.0
81.07063	9.7
83.01338	1.7
83.04987	2.4
83.08196	0.6
83.08623	5.8
91.05498	2.6
93.07043	3.4
95.04964	0.6
95.08606	9.4
97.06522	1.0
97.10173	3.2
98.21308	1.5
104.34311	0.4
105.07014	1.3
107.08624	2.1
108.91290	0.4
109.06499	0.6
109.10163	5.2
111.04446	0.7
111.08133	0.5
111.11725	1.1
119.08554	1.2
121.10139	1.9
123.04414	1.2
123.11713	1.6
125.02383	0.5
125.05971	1.7
133.06496	1.4
133.10141	1.4
135.11703	1.3
137.06007	3.7
137.13248	0.9
139.03941	0.6
141.05478	8.6
147.11768	0.9
149.13234	1.3
151.07529	2.8
151.14832	0.8
153.05478	23.9
161.05981	1.2
161.13274	0.5
163.07552	0.6
163.14757	0.9
165.01880	0.6
165.05463	1.0
167.03406	100.0
167.07051	3.4
168.03818	0.9
169.05000	4.3
175.14874	1.2
177.05473	1.7
179.07071	5.4
179.17973	0.9
179.19528	0.4
181.04901	1.3
185.04439	0.7
189.16403	0.4
191.07028	1.2
195.06544	5.3
205.08586	0.9
207.10191	3.5
209.08080	1.3
217.08652	0.9
219.10194	0.9
219.21111	1.5
221.11765	1.1
223.09674	0.9
223.71590	0.5
226.37581	0.4
231.10114	0.6
245.22746	2.1
250.12497	0.4
263.23706	2.9
265.14398	0.8
293.17432	0.8
296.99323	0.4
298.92322	0.4
307.19000	0.8
319.18982	0.9
319.22568	0.9
321.20691	0.6
329.70108	0.4
333.20599	1.0
347.21918	0.5
385.27505	3.2
403.28461	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	403.2844
Annotation	Gutierrezianolic acid isobutyrate methyl ester
Peak:m/z	Relative Intensity
51.51574	0.5
53.03923	1.1
54.12310	0.5
55.01859	1.3
55.05520	8.4
57.07061	1.1
57.65796	0.6
65.03923	0.7
67.05505	12.9
68.99776	3.5
69.07073	7.2
70.62938	1.6
71.08614	0.6
79.05498	4.4
81.07056	12.8
83.04956	0.5
83.08617	4.4
91.05493	3.4
93.07050	4.8
95.04976	3.9
95.08054	0.8
95.08617	11.3
97.06532	1.0
97.10184	2.7
98.20936	1.0
103.05481	0.9
105.07008	2.1
107.04929	0.8
107.08598	3.0
109.06521	1.0
109.10184	4.7
111.04421	1.2
111.08125	0.6
111.11718	0.9
119.04924	2.4
119.08576	1.3
120.37369	0.7
120.55589	0.5
121.10146	2.3
123.04430	12.5
123.11673	2.6
124.01572	1.9
125.05984	0.9
133.06497	1.0
133.10091	1.4
135.04385	0.6
135.11667	1.3
137.05977	2.5
137.13280	1.0
139.03915	5.5
141.05467	9.7
147.04413	1.5
147.11681	0.9
149.13261	0.8
151.03876	0.7
151.07559	5.3
151.14915	0.6
152.01010	2.1
153.05470	47.2
154.21634	0.5
155.07039	0.5
161.05959	0.6
161.13300	0.8
163.03876	1.2
163.07475	0.6
163.14819	1.1
165.05486	1.3
165.16440	0.7
167.03406	88.6
167.07086	3.3
169.04950	4.0
170.02081	2.1
175.14812	0.6
177.05493	2.9
179.07034	11.5
179.17926	0.8
181.05005	1.5
181.08734	0.6
189.19141	0.6
191.07083	1.6
195.06520	6.4
195.09198	1.0
197.29434	0.5
205.08612	2.0
207.10205	5.9
209.08270	0.7
217.08691	0.7
219.10275	1.1
219.21097	1.8
221.11743	1.5
223.09641	1.0
245.22778	1.9
263.23773	2.1
284.11902	0.8
291.16183	0.7
293.10657	0.6
293.17630	0.8
305.21317	0.8
309.12173	0.5
319.22620	0.7
322.13498	0.6
334.13120	0.6
346.13449	1.2
347.14127	0.7
348.14581	0.6
358.12729	1.0
359.13223	1.0
360.14447	1.3
361.15344	1.3
362.16516	0.8
370.13303	1.1
371.13977	1.7
372.13635	3.3
373.14343	7.7
373.52209	0.6
374.15234	1.6
375.16409	2.2
376.17532	0.7
385.15042	1.2
385.27539	1.8
386.15820	2.6
387.16077	13.6
388.16766	13.2
389.17737	1.7
401.17703	4.2
402.18256	5.1
403.19266	100.0
403.27612	14.5
404.19824	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	403.2481
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03960	2.8
55.05506	8.7
57.03438	21.2
57.07087	3.2
65.03944	2.9
67.05501	23.5
69.07061	9.6
69.35373	19.3
70.01284	1.8
71.04999	2.8
79.05489	28.0
81.07060	34.6
83.01326	3.2
83.08606	4.9
85.06541	5.0
91.05482	23.3
93.07043	21.6
95.04961	7.1
95.08610	32.7
97.06547	3.1
97.10199	2.4
98.20893	6.7
99.08105	7.3
105.07036	18.8
107.04952	3.6
107.08603	15.4
109.06509	10.4
109.10161	9.0
111.08077	4.2
117.07040	6.5
119.08558	11.4
121.10155	7.2
123.04430	8.1
123.08076	3.1
123.11719	2.8
125.06003	2.4
125.09530	2.6
127.07542	2.0
129.06979	4.2
131.08578	10.3
133.10118	15.7
135.08035	6.9
135.11722	5.6
137.05984	9.8
137.09634	7.8
139.03824	2.0
142.76012	2.0
143.08635	2.3
145.10095	4.6
147.11723	16.2
149.13264	6.2
149.39796	2.0
151.07574	2.7
155.07030	88.2
155.10709	2.1
157.10139	5.2
159.11694	26.4
161.13257	3.0
163.11115	2.9
165.05481	2.0
165.09088	2.9
166.02716	2.1
167.07060	20.9
171.11737	5.0
173.13232	4.9
175.14842	13.4
177.12776	7.4
181.04971	100.0
182.05334	4.9
189.16380	6.4
191.07048	3.5
193.08588	2.2
193.15927	5.7
199.14928	2.4
213.16382	7.2
216.94969	2.2
231.17426	10.9
249.18430	10.8
261.87878	2.3
319.32587	2.3
385.23672	4.1
396.37555	2.2
401.85739	2.1
403.32370	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	403.2477
Annotation	yanuthone X1
Peak:m/z	Relative Intensity
53.03947	8.7
55.01878	6.2
55.05513	21.3
56.87693	3.1
57.07070	6.8
64.51579	3.1
65.03941	8.3
67.05166	6.4
67.05509	100.0
69.03419	5.0
69.07064	17.7
69.41316	29.3
74.07587	3.6
79.05498	64.7
81.07061	87.6
83.01360	16.1
83.04974	8.2
83.08624	7.6
85.06541	5.8
85.11243	3.6
91.04965	4.0
91.05489	52.5
93.03395	4.7
93.07049	54.4
95.04955	16.7
95.08611	83.4
97.02885	4.5
97.06524	10.7
98.20738	5.9
98.21324	10.2
99.04443	3.6
103.39648	3.1
105.07037	40.0
107.04991	5.7
107.08608	34.6
109.06516	5.0
109.10159	45.4
117.07018	8.2
119.08598	25.9
120.44601	4.0
121.10164	23.1
123.08064	4.4
123.11702	15.4
125.05997	11.7
129.01837	8.8
129.07010	8.3
131.08562	15.5
133.10130	31.7
135.08070	5.5
135.11705	24.8
136.25456	3.5
137.02345	5.3
137.05962	9.8
137.09583	4.5
137.13245	7.1
139.07545	4.6
142.07729	3.9
143.08562	7.6
145.10101	12.0
147.08069	4.5
147.11678	24.3
149.13249	19.8
151.03987	7.0
151.07574	5.2
153.05446	27.4
155.07019	12.1
157.01472	4.5
157.10123	10.6
159.11739	8.6
161.09605	4.4
161.13232	5.8
163.07486	6.2
164.59174	3.0
165.05466	9.3
165.09113	4.3
167.07059	30.8
169.04922	3.4
171.06503	9.0
171.11633	9.6
173.09741	3.8
173.13252	4.6
179.03421	7.6
179.07030	11.2
181.03384	5.1
181.04967	77.9
181.08627	5.3
183.06483	3.5
183.11678	3.6
185.08058	6.7
187.14793	12.7
189.16380	23.1
191.06984	11.7
191.17964	5.0
193.08650	8.5
197.04420	9.7
203.17970	6.4
207.06540	11.0
209.08092	5.2
213.16364	14.6
215.17917	9.3
217.08617	5.6
219.10237	11.0
231.10089	9.6
231.17523	13.5
247.03625	3.8
343.22458	5.2
349.21701	6.4
367.22852	21.2
385.23782	32.9
403.24780	14.2
403.39905	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	403.2481
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03939	5.3
55.01862	9.3
55.05520	31.2
57.03439	3.7
57.07076	7.3
65.00244	2.7
65.03932	5.2
67.05172	4.9
67.05508	70.3
68.99776	5.3
69.03424	6.5
69.07070	20.2
69.49567	21.3
71.08622	10.5
79.05492	48.8
81.03424	4.3
81.07058	65.7
83.04973	12.0
83.08607	13.6
85.06551	3.4
91.05481	42.4
93.07050	65.2
95.04968	14.7
95.08604	40.2
97.06528	10.2
97.10167	3.7
98.21194	11.7
99.08089	6.7
105.07036	27.0
107.04968	8.8
107.08601	33.2
109.06526	5.2
109.10164	25.8
111.00793	3.4
111.04430	6.7
111.08103	6.5
117.07014	6.5
118.17462	3.5
119.04912	3.9
119.08591	21.6
121.06498	7.6
121.10133	29.4
123.04434	11.4
123.08098	6.5
123.11681	5.8
125.05984	3.8
125.09655	3.4
127.03918	41.1
129.07004	6.1
131.08571	13.9
133.06494	5.2
133.10143	21.9
135.04422	3.7
135.08047	5.5
135.11664	18.5
137.05989	12.2
137.09637	4.5
139.03909	73.3
141.05446	10.5
143.08556	4.4
145.10123	8.3
147.08022	4.6
147.11670	13.7
149.06004	6.0
149.13248	12.0
151.03917	13.4
151.11176	7.6
153.01831	68.0
153.05460	14.2
155.07048	6.9
157.10176	5.8
159.11656	6.9
161.05968	8.1
161.13237	7.9
163.03932	18.6
163.07500	6.1
163.11235	4.9
165.01825	16.8
165.05479	15.6
165.12823	5.0
167.03400	24.7
167.07059	7.4
169.10100	3.9
171.11655	4.7
173.11768	3.8
173.13261	6.9
175.03949	4.7
175.07532	6.6
175.14874	4.8
177.01855	5.5
177.05487	20.5
179.03406	8.6
179.07057	8.3
179.10678	3.7
181.04976	20.5
183.02921	9.7
185.13275	4.3
189.05438	7.3
189.16490	3.6
191.03577	4.4
191.06961	9.9
193.04967	11.4
199.14839	4.6
201.05295	3.0
203.03467	5.8
203.06979	8.6
205.04974	9.1
205.08585	6.0
207.13715	3.6
209.11725	4.9
217.08519	7.5
219.10201	3.8
231.10167	3.2
233.11723	6.5
243.10242	5.7
247.09671	10.2
249.14870	6.9
253.12177	3.2
259.20563	4.9
261.11194	3.2
275.12802	10.4
277.21671	22.8
279.12335	3.9
285.14844	12.0
287.12558	4.2
289.14371	6.6
301.14362	18.7
301.17444	3.6
303.15906	100.0
305.17453	6.6
315.15723	3.0
350.28357	3.6
367.22717	10.8
385.23718	79.6
403.24738	73.4
403.29593	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	403.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01869	1.0
55.05519	5.5
57.03442	0.9
57.07061	1.6
59.74220	0.5
63.49177	0.4
65.03941	0.8
67.01855	0.8
67.05508	19.3
68.99784	1.8
69.03418	1.3
69.07075	6.9
69.90170	2.8
74.59462	0.4
77.76103	0.5
79.05494	6.2
81.03432	1.0
81.07059	21.1
83.04967	1.5
83.08617	3.1
85.06519	0.5
89.49960	0.5
91.05482	5.9
93.07052	5.0
95.04960	2.1
95.08045	1.1
95.08613	13.1
97.02879	1.1
97.06507	0.7
97.10159	1.1
98.21125	1.3
99.08101	1.4
105.07040	2.5
107.04962	0.9
107.08570	3.2
107.81966	0.5
109.10163	4.6
111.08073	0.6
111.11697	0.5
113.09665	0.6
119.04925	0.8
119.08621	2.5
121.10159	3.9
123.04447	4.4
123.11720	3.2
124.08491	0.6
125.06001	0.7
125.09613	0.8
127.03930	9.3
129.01831	0.8
133.10120	2.3
135.11708	3.2
137.06010	1.4
137.13248	1.3
139.03928	2.9
139.07532	0.6
141.05443	6.4
147.04361	1.2
147.11665	1.5
149.13254	1.3
151.03908	1.1
151.07515	1.4
152.00966	0.6
153.01834	100.0
153.05455	17.2
154.02130	1.3
161.13280	2.0
163.03970	0.6
163.14940	0.7
165.01892	0.6
165.05501	0.8
167.03404	31.7
167.07056	1.4
169.04913	3.0
170.02078	1.0
175.14796	0.8
177.05527	1.2
179.03352	0.8
179.07082	4.2
181.04947	1.2
191.06970	0.7
195.06531	2.5
203.07040	0.6
205.05034	1.9
207.10098	2.5
209.08046	0.8
217.19527	3.1
219.21220	0.5
235.20615	2.0
241.66574	0.5
245.22626	1.2
263.23901	1.3
311.25720	0.5
319.19122	1.2
385.23596	8.7
385.27664	1.0
403.24649	0.8
403.28485	6.7
403.39975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05515	5.5
57.03428	0.7
57.07066	1.7
65.03928	0.7
67.01867	1.3
67.05508	19.7
67.05872	0.9
68.99783	2.1
69.03419	0.8
69.07069	5.7
69.56885	0.9
69.57293	2.8
69.69461	0.5
72.00414	0.5
79.05498	6.1
81.03401	0.7
81.07059	20.9
83.04969	0.8
83.08618	4.9
85.06561	0.7
87.81661	0.4
89.83749	0.4
91.05484	5.2
93.07043	4.8
95.04972	2.0
95.08610	11.0
97.02873	0.7
97.06517	1.2
97.10168	1.9
98.21387	1.2
99.08100	1.8
105.07020	3.3
107.04919	0.8
107.08586	2.9
109.06464	0.8
109.10161	5.6
111.00760	0.5
111.04417	0.6
111.08036	0.5
111.11740	0.7
115.02070	0.4
119.04944	0.6
119.08577	2.3
121.10155	2.9
123.04423	3.8
123.11715	3.8
127.03925	10.3
131.08545	0.5
133.10118	3.0
135.11720	2.5
137.06007	1.4
137.13280	1.4
139.03925	2.8
141.05464	5.7
147.04408	0.9
147.11687	1.6
149.13274	1.2
151.03909	1.1
151.07555	1.3
152.01016	0.6
153.01834	100.0
153.05437	13.4
161.13271	1.5
163.04016	0.5
163.14845	0.6
165.01826	0.5
165.05489	1.1
167.03410	25.8
167.07048	2.0
169.04997	3.9
170.02107	0.9
175.14835	0.6
177.05460	0.9
179.07066	3.9
181.05023	1.1
183.02837	0.5
191.07013	0.8
195.06517	2.2
205.04950	1.6
205.08636	0.6
207.10197	2.3
217.19492	3.5
219.21053	0.9
233.22635	0.8
235.20544	1.5
245.22661	1.3
249.11404	0.6
263.23743	0.9
277.21609	0.6
319.19156	0.7
354.48578	0.5
363.87527	0.5
385.23639	9.9
386.24048	0.5
403.23862	0.9
403.28732	4.7
403.33035	0.8
403.40216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.0
55.01860	8.4
55.05511	28.5
57.07064	13.0
61.95446	3.6
65.03920	7.1
67.05169	5.6
67.05508	92.9
69.07073	22.6
71.04985	5.5
79.05499	75.1
81.03396	9.5
81.07059	100.0
83.04982	6.6
83.08604	9.0
85.02853	4.2
91.04971	4.2
91.05484	55.1
92.05791	3.2
93.07043	58.4
95.04974	19.2
95.08604	68.9
97.06540	7.7
97.10125	8.1
98.20929	23.1
98.21608	7.7
105.07042	39.2
107.04967	19.1
107.08610	31.2
109.06497	7.5
109.10156	40.0
111.04453	17.1
113.05994	21.9
117.07033	17.1
119.08603	32.9
121.06488	8.1
121.10153	29.8
123.04435	10.6
123.08030	3.9
123.11697	11.5
125.05988	27.1
127.03993	3.4
128.06184	3.4
129.01837	24.7
129.06992	10.9
131.08545	20.1
133.06444	8.4
133.10124	35.2
135.04414	29.4
135.07970	5.9
135.11722	19.9
137.05983	15.1
137.13243	4.9
139.00270	4.4
139.03908	59.5
139.07510	4.2
139.11180	5.9
141.05473	7.7
143.08572	8.3
145.10101	18.9
147.08034	7.6
147.11713	19.6
149.05922	16.2
149.09630	5.6
149.13252	9.7
151.03902	26.6
151.07541	9.6
153.04298	6.5
153.05473	95.7
155.07014	18.9
157.01306	8.7
157.10114	9.3
159.08064	6.6
159.11688	7.9
161.05927	8.3
161.09633	5.0
161.13268	9.2
163.03871	11.0
163.07529	7.8
165.05574	4.4
167.03391	45.7
167.07031	28.0
169.05026	5.3
169.10150	4.6
171.06532	28.1
171.11745	6.4
172.83205	3.3
173.09586	4.9
173.13268	5.3
175.07529	6.2
177.05478	9.7
179.03423	10.1
179.07033	8.7
181.04987	49.7
181.08592	3.9
183.11736	7.6
185.08051	10.6
185.09560	5.1
185.13205	4.0
187.14824	11.0
189.09073	4.5
189.16331	17.0
191.07043	7.0
193.05005	10.2
193.08582	9.6
195.06564	6.9
197.04422	9.2
199.06007	23.6
199.11096	3.9
201.09157	6.9
203.10638	3.9
203.18015	6.6
205.08580	4.8
207.06538	7.8
207.10106	3.4
209.08011	9.7
213.12737	3.9
213.16383	8.3
215.10715	3.9
219.10155	15.4
229.53180	4.2
231.10208	6.5
231.17447	7.0
233.11729	9.2
237.12772	4.5
241.12267	4.9
252.32300	3.4
293.18933	6.2
311.19858	4.9
319.22559	4.6
325.21802	9.2
335.20053	3.8
343.22632	10.2
353.21231	4.9
357.24335	4.3
367.22678	6.4
385.23456	19.0
403.23724	18.5
403.28458	13.9
403.33054	6.7
403.39560	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2479
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03930	2.4
55.01878	2.5
55.05500	7.4
57.03188	2.5
57.03439	40.2
62.07303	1.5
67.05230	2.0
67.05514	22.9
67.39859	1.7
69.07066	4.0
70.59550	4.4
71.32697	1.5
71.63963	1.6
72.66305	1.6
79.05494	31.4
81.07055	37.6
83.01345	2.1
83.04979	3.1
83.08610	5.9
85.06533	5.1
90.61100	1.5
91.05479	31.0
93.07050	27.9
95.04969	5.3
95.08603	33.8
97.02893	1.6
97.06535	6.6
97.10139	3.5
99.08091	14.2
105.07040	18.2
107.08612	17.1
109.06538	16.5
109.10168	8.1
111.08080	4.0
113.06029	1.9
117.07039	14.2
119.08570	17.8
121.10108	7.9
123.08056	5.5
125.09614	5.2
127.07583	2.5
129.07002	3.6
131.08574	15.2
133.10143	19.2
135.08029	6.6
135.11705	7.6
136.74695	1.5
137.05994	26.5
137.09651	9.5
143.08557	6.6
145.10101	4.5
147.08084	1.8
147.11699	12.3
149.09641	2.7
149.13286	3.9
151.07541	2.5
151.11160	2.6
155.07043	100.0
157.10132	8.6
159.11699	43.2
165.12772	2.0
167.07016	13.6
171.11711	8.3
173.13290	8.1
175.14853	16.5
177.12740	13.0
181.03358	3.7
181.04964	71.4
181.08354	2.1
185.13326	2.6
187.14764	1.8
191.07060	3.5
193.15948	8.2
203.17882	2.3
213.16354	16.8
231.10240	1.8
231.17416	14.4
249.18518	20.0
385.23825	2.5
403.24701	4.6
411.26346	1.7
428.75146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
54.36123	2.9
55.01889	2.7
55.05505	12.2
57.03235	2.3
57.03440	27.9
65.03950	3.6
66.34712	2.5
67.05506	48.5
69.07076	13.7
69.69901	12.2
69.70325	6.2
71.04991	13.6
72.48936	2.3
79.05496	38.6
81.07061	50.2
83.04971	5.7
83.08613	7.2
85.06549	8.7
91.05483	28.0
93.07046	50.5
95.04958	5.5
95.08607	49.9
97.02896	2.6
97.06517	6.1
97.10164	4.7
97.90590	2.3
99.08087	5.4
105.07028	30.3
107.08595	39.1
109.02913	4.0
109.06541	8.8
109.10153	22.4
110.66906	2.3
111.08076	3.6
113.09664	3.5
115.05967	2.7
117.07028	11.3
119.08573	24.9
121.10146	31.4
123.04411	3.7
123.11701	5.5
125.09598	5.6
127.03914	56.3
129.06953	3.8
131.08585	19.8
133.10106	15.3
135.11690	24.2
137.09644	4.9
138.98077	2.5
139.03914	28.5
143.08566	3.4
145.10133	20.4
147.11700	12.3
149.13301	14.3
153.01839	100.0
153.05421	5.7
155.03368	3.3
159.11687	10.2
161.13274	10.4
163.03912	3.5
163.11208	5.2
163.14894	5.7
165.05449	4.0
171.11676	9.4
173.13260	8.4
175.14851	8.0
177.05481	4.0
177.16429	3.0
181.05000	7.1
185.13319	7.4
187.14845	24.4
191.06883	2.9
191.14313	4.2
205.08502	3.0
205.15799	13.8
221.18970	7.8
241.19531	11.7
259.20547	19.6
260.31125	2.9
277.21671	40.7
283.08768	2.8
301.63705	3.0
385.23376	4.1
403.24237	4.7
403.39835	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	403.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01860	6.7
55.05513	23.2
57.03427	5.0
57.07072	8.2
57.41430	3.5
67.05508	45.4
67.79486	3.6
68.99782	5.3
69.03420	12.3
69.07057	17.4
69.51249	11.0
69.51670	18.3
69.82114	3.7
71.04983	8.2
79.05499	55.3
81.03400	9.9
81.06635	5.6
81.07059	66.0
83.04982	34.7
83.08618	12.3
85.02852	4.2
85.06548	8.4
91.05482	54.3
93.07056	49.3
95.04977	24.3
95.08118	4.5
95.08614	41.2
97.06506	18.1
103.05446	6.3
105.07024	36.7
107.04916	17.2
107.08595	27.2
109.06543	19.5
109.10146	20.3
111.08073	5.7
115.05383	5.1
117.07014	21.9
119.08582	33.8
121.06487	15.0
121.10127	20.1
123.04404	5.9
123.08057	12.1
123.11673	5.3
125.02390	4.1
125.06006	19.0
125.09643	3.9
127.03915	8.6
128.06200	9.6
129.07048	18.9
131.08583	31.1
133.06476	10.7
133.10144	21.0
135.08040	12.9
135.11662	8.1
137.05862	8.2
137.09590	12.6
137.64362	3.7
141.05443	37.9
141.06937	6.4
142.07822	4.1
143.08531	20.6
145.06491	7.8
145.10173	21.6
147.08029	18.0
147.11649	13.4
149.05980	6.8
149.09650	5.8
151.07550	19.6
151.11171	5.3
153.05484	45.6
153.84641	3.8
155.08514	6.2
157.10101	14.1
159.08038	6.8
159.11748	20.4
161.06035	5.1
161.09595	13.2
161.13197	7.6
163.07535	7.6
163.11212	5.0
165.05466	7.7
165.09103	10.3
167.02113	7.2
167.03407	78.4
167.07057	18.3
167.08485	4.6
168.03912	4.4
169.10088	5.7
170.02023	3.9
171.08034	5.3
171.11691	8.2
173.09566	6.6
173.13225	9.6
175.07477	4.0
177.05469	17.2
177.09135	5.5
177.12624	7.5
178.42224	4.1
179.03369	5.4
179.07021	10.8
181.04933	15.1
181.08594	4.9
183.02875	12.9
183.11659	6.3
185.09608	4.7
185.13214	8.6
187.07538	4.1
187.11223	5.0
189.09157	7.9
191.07021	15.4
193.04890	4.9
193.08638	6.3
193.12170	5.4
195.06540	5.9
197.13322	6.5
199.14679	5.3
201.12766	7.3
203.06956	5.1
205.04913	7.2
205.08629	8.0
205.12265	6.1
207.06458	4.1
211.02345	8.2
217.08614	5.6
217.15843	5.6
219.06514	5.0
219.13809	5.8
227.14328	7.5
245.15341	17.9
258.33835	3.9
259.13348	6.7
263.16394	5.3
301.07001	6.4
315.15680	3.9
327.08795	9.4
329.06445	5.2
341.17441	13.8
349.17728	4.4
355.08032	8.4
367.18912	19.4
367.22858	5.8
373.09164	86.7
385.19873	36.6
385.23300	4.0
388.11517	8.9
403.13895	100.0
403.20279	31.0
403.28754	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	403.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01866	2.9
55.05504	10.8
57.03436	2.6
57.07070	2.4
65.03915	2.1
67.05508	17.8
67.22689	1.3
69.03435	4.3
69.07079	7.8
69.38949	12.9
69.55035	1.3
71.04996	1.7
75.41005	1.5
75.56304	1.4
78.04702	2.5
79.05494	20.4
81.03413	3.6
81.07056	21.1
83.04984	5.6
83.08620	5.4
85.02913	1.7
85.06546	4.9
91.05489	23.7
93.07040	21.6
95.04961	12.3
95.08604	15.0
97.06517	2.3
97.10169	2.3
98.20876	5.0
103.05478	8.3
105.07030	14.8
107.04957	33.3
107.08619	12.4
109.06538	6.0
109.10191	9.1
111.04427	2.8
111.08080	2.6
115.05455	5.6
116.06245	2.0
117.07016	4.8
119.04954	4.0
119.08608	7.1
120.05743	1.9
121.06519	17.4
121.10159	6.1
123.04446	7.4
123.08095	4.0
123.11720	4.0
124.05252	3.4
125.06007	7.0
125.09619	2.0
125.18018	1.4
127.03909	2.6
128.06259	10.0
129.07004	31.5
131.04913	8.3
131.08565	20.1
133.06488	4.7
133.10124	5.4
135.04442	3.4
135.08072	5.6
135.11682	4.9
136.05228	2.0
137.05965	16.3
137.09612	2.6
138.03128	2.6
139.03897	1.7
139.07600	1.6
139.11177	2.6
140.04616	1.8
141.05540	2.1
142.07773	1.8
143.08562	6.3
144.05711	2.2
145.06496	6.5
145.10114	5.3
146.07253	3.0
147.04321	2.1
147.08052	4.2
147.11708	3.9
148.05153	3.1
149.05980	4.5
149.09627	5.1
149.13239	2.1
151.03883	4.0
151.07567	14.1
151.11177	1.5
152.04727	3.5
152.06102	3.1
153.05475	11.1
153.06683	2.6
154.25824	1.5
155.07133	2.7
155.08533	3.3
157.06503	25.5
157.10141	4.5
159.08070	4.3
159.11708	2.2
161.05986	30.9
161.09657	13.7
161.13274	2.7
163.03847	1.6
163.07542	10.3
163.11214	2.3
165.07001	5.0
166.06245	3.4
166.07813	2.5
167.03444	2.4
167.07059	78.7
167.08525	6.0
169.10193	2.6
171.08136	4.2
171.11769	1.7
173.09514	1.8
173.13339	2.3
174.06752	10.9
175.07550	8.4
175.11197	3.3
176.23215	1.5
177.05525	3.5
177.06931	2.9
177.09135	4.4
177.12747	1.5
179.07014	4.1
179.08519	2.1
179.10539	1.7
180.09363	2.2
181.05162	8.9
181.06639	3.8
181.08598	49.5
181.10185	3.2
182.07285	3.5
182.08907	1.6
183.08055	2.1
187.07539	2.7
187.11278	2.3
189.09117	100.0
190.07799	2.5
190.09439	3.4
191.07036	2.1
191.08580	5.7
191.10677	4.5
193.06480	1.9
193.08578	2.3
193.10202	1.9
193.12338	1.5
194.07297	5.3
195.08104	14.2
197.06056	4.8
197.09651	1.9
203.08847	1.6
203.10733	5.3
205.06512	2.8
205.08527	2.8
205.10280	3.3
207.10083	2.9
208.05203	3.8
208.08839	4.6
209.06035	2.9
209.09619	3.6
211.07518	3.5
212.08359	5.3
212.10229	1.5
217.12198	1.9
218.07233	1.9
219.08054	6.7
219.10001	2.5
221.06035	3.5
221.09692	1.9
222.06708	3.7
223.07603	9.7
223.11186	5.0
225.05530	3.1
225.09183	2.1
227.07051	2.8
233.09650	2.0
235.07538	3.5
236.04799	3.4
236.08325	6.5
237.09132	3.9
239.06947	2.8
240.07825	5.8
241.08577	2.9
246.25429	1.7
247.07689	2.5
249.11218	1.9
250.06357	2.3
251.07071	8.7
251.10689	9.3
253.08633	6.5
254.09087	1.7
255.06311	1.5
255.10109	8.7
255.13832	2.3
257.08160	2.0
263.06824	1.6
264.07727	3.0
265.08618	5.7
268.07379	2.4
268.10791	1.5
269.08279	2.4
270.08777	2.5
271.09711	1.7
273.14890	1.5
279.10117	7.1
280.11200	1.6
281.08176	2.3
283.09659	16.6
283.13297	17.4
285.07629	3.6
285.11108	1.8
296.10480	2.5
297.11313	6.5
299.09137	2.7
300.09995	2.6
302.11478	4.5
311.12799	14.6
311.19958	2.0
314.11523	1.8
315.12250	36.8
329.21210	6.9
343.15356	15.8
347.22366	1.8
361.16492	4.8
367.22729	3.2
385.16299	1.8
385.23727	5.8
403.13318	2.6
403.17761	3.6
403.24686	15.8
403.28937	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	403.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
53.18988	4.8
55.05516	9.9
67.05496	18.0
69.03413	6.6
69.07096	12.6
69.29443	49.9
75.36922	4.2
79.05498	28.9
81.07069	23.9
83.04972	8.5
91.05492	22.8
93.07041	33.8
95.04977	13.8
95.08621	21.8
98.21137	25.7
105.07027	30.5
107.04951	16.7
107.08613	11.1
109.06534	9.6
109.10165	8.7
117.07043	5.2
119.04964	7.0
119.08587	17.2
121.06489	12.7
121.10174	15.4
125.05975	7.8
129.07016	17.4
131.08598	12.2
133.06459	6.3
133.10120	11.1
135.08072	10.2
137.05986	76.6
141.05519	7.6
143.08609	5.9
147.11630	9.1
149.05899	8.8
149.09497	6.8
151.07545	59.1
151.11206	6.5
153.05502	11.5
157.06447	10.0
157.10208	5.7
161.05995	10.0
163.07562	6.6
165.05542	6.1
165.07011	13.4
167.03432	9.4
167.07053	100.0
169.08594	12.5
169.10150	6.1
175.07649	10.6
177.09169	9.7
179.07068	13.0
181.04982	10.0
181.08629	7.4
187.14764	5.6
189.09142	44.0
191.07066	11.4
193.04977	6.2
193.06549	8.7
193.08427	7.4
193.10133	10.5
195.06480	12.1
205.08586	9.0
221.05904	9.3
221.09584	8.8
223.07617	7.6
225.09274	5.3
231.10107	6.7
253.08777	6.0
253.12271	22.2
267.10208	7.4
281.11783	6.6
285.11295	19.6
287.16275	5.9
291.66870	5.6
313.14270	33.6
333.16986	19.2
367.19153	17.7
373.16364	11.8
385.19983	13.3
403.20786	10.9
403.25018	14.0
418.32047	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1545
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
58.06611	0.8
61.15816	0.6
62.86134	0.5
68.99790	1.4
69.03418	0.8
69.46797	3.7
70.06591	100.0
71.06902	0.7
73.75948	0.6
78.03443	0.9
79.05496	0.8
81.03414	1.9
81.07095	0.7
84.04511	1.0
85.02919	0.9
85.66794	0.6
86.06071	7.1
91.05471	1.2
93.07065	0.8
94.06513	0.5
95.04987	0.8
97.02892	0.7
98.21166	2.5
103.05457	1.3
106.02921	4.0
107.04974	2.1
107.42587	0.5
109.02892	1.3
112.07644	0.7
119.04922	0.6
121.06531	2.2
123.04431	0.9
123.92633	0.5
124.03948	5.9
127.03882	0.7
130.95323	0.5
135.04387	3.4
136.07607	0.6
138.07349	0.6
139.03891	13.8
140.29326	0.5
147.04367	0.6
149.05989	5.5
151.03955	0.8
153.01862	1.5
154.05038	0.7
159.04408	1.7
159.85649	0.6
161.05927	0.6
163.03909	7.9
165.05475	1.2
165.43915	0.7
167.07077	0.6
177.05466	60.8
178.05760	0.7
181.04935	3.0
189.05527	1.3
194.05853	0.6
219.06606	1.2
234.11310	3.1
250.07179	2.3
250.10751	1.5
268.08145	2.5
271.68719	0.6
327.08710	1.3
345.09659	10.1
345.13483	1.0
402.15479	46.7
403.15753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44739	2.3
54.94737	2.4
55.01884	3.2
55.05505	11.0
67.05166	4.8
67.05506	61.1
68.05840	17.3
69.07069	6.0
70.07415	2.5
77.28326	2.2
79.05501	14.2
79.80759	2.1
80.82924	2.5
81.07060	63.2
82.07388	19.6
83.04960	3.3
83.08607	3.8
91.05476	7.7
93.06529	2.3
93.07035	14.0
94.07373	5.7
94.12077	2.8
95.08605	46.3
96.08941	16.0
98.20724	5.6
98.21415	10.2
105.07044	4.9
107.08602	9.8
108.08923	5.3
109.10151	24.3
110.10490	10.4
119.08550	6.9
121.10168	7.0
122.10504	5.0
123.04499	2.8
123.11723	11.4
124.12007	2.8
131.08501	2.6
135.11688	5.1
137.05919	4.5
137.13281	3.8
141.05490	16.1
142.05731	2.6
145.10179	3.4
147.11826	2.3
149.13194	3.1
151.07469	3.4
152.07890	3.2
153.05492	27.3
154.05786	13.3
160.12077	2.9
163.14851	2.8
167.03412	100.0
168.03748	49.6
168.05087	3.9
169.05107	6.6
174.13661	2.5
179.06975	5.9
180.07402	3.5
195.06532	3.1
196.06900	4.2
198.76865	2.6
207.10114	3.6
208.10527	3.4
218.19974	3.7
222.15579	2.6
243.20801	3.4
244.21321	4.7
261.22128	9.6
262.22540	28.7
380.00397	2.5
384.26230	3.3
386.15256	2.8
387.15851	3.3
388.16718	2.7
402.18802	18.0
402.27191	31.0
402.34506	5.1
403.19067	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	401.2688
Annotation	Aeginetin
Peak:m/z	Relative Intensity
53.03953	2.1
55.01876	2.0
55.05517	6.6
55.35280	0.7
57.01340	0.7
57.07066	1.5
62.20518	0.9
63.26823	0.9
65.03939	3.1
67.05508	52.7
67.51254	0.8
68.99792	4.6
69.07069	5.8
70.08691	2.0
70.09093	1.2
77.65374	0.8
79.05493	16.3
81.03457	0.9
81.07061	53.7
81.38014	0.8
83.08628	2.0
91.05489	7.5
93.07053	17.3
95.04980	7.3
95.08611	39.8
97.10149	1.7
98.20986	2.0
98.21542	1.0
99.08085	0.9
105.07038	6.0
107.04960	2.4
107.08592	9.0
109.06590	0.9
109.10162	20.2
111.08099	1.9
111.11803	0.8
117.07030	2.0
119.04948	1.7
119.08590	5.0
121.10157	9.9
123.04435	12.8
123.11710	9.0
124.01602	1.9
131.08586	3.0
133.06509	1.1
133.10132	4.0
135.11697	7.1
137.05974	4.3
137.09557	0.8
137.13278	4.5
139.03891	6.3
141.05463	12.2
145.10178	2.2
147.04390	1.8
147.11708	2.4
149.13255	4.3
151.07536	6.1
152.01089	2.7
153.05475	58.7
159.11707	2.1
161.13275	3.8
163.03969	1.5
163.14839	2.2
164.04768	1.8
165.05463	2.2
165.24448	0.8
167.03409	100.0
167.07071	4.3
169.04955	4.6
170.02144	2.6
173.13309	2.7
175.14845	2.1
177.05489	2.9
177.16365	3.2
179.07048	16.4
181.05052	1.7
187.14885	1.9
191.07027	1.7
193.08588	1.3
195.06499	8.3
205.08659	2.8
207.10191	5.1
209.08092	2.2
217.19537	3.1
219.10225	2.0
219.21111	1.7
221.11798	1.4
223.09665	1.9
231.10324	1.4
233.22757	1.0
243.21159	3.6
261.22147	17.8
265.14383	1.3
279.15942	1.2
305.18161	0.8
383.25827	1.6
393.99872	0.9
401.18277	4.4
401.26852	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	401.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24178	1.3
55.01869	2.7
55.05516	6.8
59.94061	1.1
65.03941	1.9
67.05510	57.3
68.99790	4.4
69.07085	5.8
69.26937	7.0
69.27364	4.7
78.09422	1.1
79.05491	14.6
81.07063	56.0
83.05009	1.4
83.08633	3.3
88.27088	1.1
91.05489	6.7
91.55250	1.1
93.07060	14.7
95.04971	6.3
95.08615	45.2
97.06543	1.3
98.20860	4.4
105.07014	5.0
107.08629	10.8
109.10162	25.2
111.04384	1.5
116.38876	1.1
117.07001	2.0
119.04948	2.4
119.08579	4.1
121.10164	10.5
123.04449	14.4
123.11712	11.0
124.01592	1.7
131.08647	2.6
133.10150	2.8
135.11705	8.3
137.05980	4.8
137.13260	4.4
139.03951	6.7
141.05478	11.6
145.10139	3.0
146.31967	1.2
147.11679	3.5
149.13257	4.7
151.07533	5.5
151.14812	1.3
152.01013	3.4
153.05479	58.5
153.06732	3.1
159.11681	2.9
161.13359	1.6
163.14813	3.9
167.03423	100.0
167.07069	4.9
168.03627	1.3
169.04955	3.9
170.02165	1.9
173.13297	4.7
175.14798	1.8
177.05493	3.4
177.16443	2.7
179.07065	17.7
180.93823	1.2
187.14853	1.6
191.07019	2.3
195.06514	9.2
205.08727	3.4
207.10153	6.9
217.19554	2.8
219.10060	1.7
221.11702	2.7
233.11771	1.8
243.21132	2.8
261.22165	19.7
293.17413	2.0
401.26874	16.1
401.31921	1.6
401.34125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01869	1.6
55.05294	0.8
55.05511	8.5
57.07062	2.1
65.03935	2.5
67.05506	64.1
68.05840	0.9
68.99789	0.9
69.03407	0.9
69.07081	6.1
71.08637	1.0
74.86398	0.7
79.05495	16.2
81.07059	68.5
82.07372	0.7
83.01349	1.9
83.04978	2.2
83.08622	3.7
91.05473	8.0
93.07047	15.3
95.04958	2.5
95.08610	49.9
97.10189	2.1
98.21320	4.0
99.00467	0.6
105.07013	5.6
107.04968	0.9
107.08593	8.8
109.06528	1.2
109.10161	24.3
111.08057	1.3
111.11681	0.6
117.07019	2.1
119.08585	5.0
121.10155	9.9
123.04419	3.4
123.08105	0.8
123.11716	14.0
125.02412	0.7
125.05955	1.5
126.03046	0.6
129.06989	0.7
131.08565	4.1
133.10104	4.2
135.08075	0.8
135.11714	7.0
137.06026	3.8
137.09666	1.2
137.13258	7.1
141.05470	37.5
145.10126	3.8
147.11705	3.5
149.13280	5.1
151.07533	1.8
151.14835	2.0
153.01938	0.9
153.05469	30.1
155.07043	2.1
159.11696	3.0
161.05983	1.0
161.13289	4.2
163.07536	1.0
163.14859	3.8
165.05545	1.5
167.03409	100.0
167.07076	5.0
168.03770	1.4
169.04976	4.6
173.13287	3.2
177.05486	2.3
177.16385	3.8
179.03398	1.4
179.07059	7.6
181.04971	2.5
187.14836	2.6
191.07027	2.0
193.08534	0.7
195.06519	8.2
195.10149	0.8
205.08620	1.5
207.06413	0.9
207.10159	5.4
209.08174	1.5
217.08563	1.4
217.19524	6.4
219.10139	1.1
219.21111	1.1
221.11794	1.9
223.09714	1.1
231.10123	1.4
233.22731	1.5
237.11150	1.0
243.21051	8.2
247.20589	0.9
261.22150	31.2
262.22491	0.9
265.14450	1.1
277.14438	0.8
279.15903	2.5
293.17291	0.8
307.19037	1.1
317.17569	1.0
383.25998	5.5
401.26877	27.0
402.27322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01867	3.9
55.05511	13.6
57.07084	1.8
57.70950	1.8
65.03931	4.7
67.05509	98.6
69.03425	1.9
69.07064	9.6
74.28121	1.6
75.54369	1.7
76.58366	1.5
78.43951	1.6
79.05499	32.3
79.66039	1.8
81.07061	97.3
83.01339	18.8
83.04973	7.4
83.08611	2.5
91.05493	21.1
93.07050	26.9
95.04998	2.7
95.08614	59.7
97.06540	2.9
97.10199	2.0
98.20834	8.3
98.21528	3.9
103.05429	2.4
105.07039	12.0
107.04964	2.2
107.08600	14.6
109.06531	9.9
109.09462	2.0
109.10166	33.1
111.04414	3.4
111.08111	2.1
111.62083	1.6
111.90669	1.8
117.06997	6.0
119.08598	11.9
121.06526	3.6
121.10127	13.4
123.08076	6.9
123.11714	15.9
125.05995	5.6
127.07553	18.2
129.07016	2.5
131.08572	10.2
133.06448	2.0
133.10095	8.1
135.08035	5.3
135.11665	12.8
137.06018	2.2
137.09601	5.1
137.13208	3.4
138.06783	3.2
139.07570	12.6
143.08598	2.0
145.10143	7.9
147.08014	2.7
147.11713	4.5
149.06003	9.6
149.09644	5.2
149.13261	5.4
151.07547	30.1
152.04665	3.9
152.08081	2.0
153.05438	5.2
153.09148	2.8
159.08055	3.7
159.11731	4.4
161.09592	3.1
161.13312	1.7
163.07545	13.7
163.11150	2.2
165.09143	17.9
167.07028	11.1
168.07813	2.2
169.08617	100.0
173.09544	1.6
173.13268	2.5
175.07602	2.3
177.05495	5.2
177.09096	3.6
179.07021	2.2
181.04973	1.8
181.08580	16.6
187.11143	2.7
189.09129	7.1
189.16451	10.3
191.07039	12.3
191.17981	7.3
192.07796	4.3
193.08536	2.3
195.06540	73.1
195.10254	3.6
204.07983	2.1
205.08640	6.7
207.06383	1.8
207.10222	9.3
211.09624	8.4
213.07579	22.0
213.16382	1.7
215.17966	12.1
219.10237	1.8
223.09654	32.2
233.11665	9.6
235.13268	5.1
237.11118	3.4
245.11734	2.8
247.13336	10.0
259.13205	4.1
261.14883	1.8
265.14227	2.4
267.58429	1.6
273.14944	1.9
277.14310	2.1
279.15903	3.1
291.15811	2.8
293.17438	2.6
307.18781	2.1
319.19067	1.8
365.24744	1.9
383.25797	26.0
401.17529	2.0
401.26840	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2685
Annotation	Aeginetin
Peak:m/z	Relative Intensity
54.46474	2.5
55.01882	2.7
55.05504	7.8
63.27692	1.9
65.03947	2.8
67.05506	61.9
69.03445	2.7
69.07058	7.1
71.48296	2.9
74.32896	2.0
75.15012	1.7
79.05504	16.0
81.07061	61.4
83.04984	3.3
83.08636	2.1
91.05491	6.3
93.07042	12.5
95.08611	45.8
107.08584	7.3
109.10162	24.4
117.07077	2.6
119.08601	3.0
119.24686	1.8
121.10159	8.8
123.11732	13.3
125.06001	3.6
135.11674	5.6
137.13275	5.5
141.05482	17.9
145.46199	1.8
147.11707	2.9
149.13234	4.1
151.07564	4.1
153.05479	30.4
159.11752	2.0
161.13219	2.8
167.03403	100.0
167.07076	3.8
169.04982	6.2
173.13379	2.3
175.60548	2.0
177.16367	2.7
179.07054	5.0
187.14886	3.8
195.06509	7.2
207.10168	5.3
209.08180	2.2
217.19521	5.5
243.21054	5.8
261.22174	25.1
265.14362	2.0
266.70676	2.0
279.15378	2.5
293.17603	2.5
383.25473	4.0
385.14609	3.1
386.14954	2.9
401.13092	4.9
401.18164	21.4
401.26700	20.0
402.18411	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	401.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05513	9.1
57.07058	1.2
57.12531	1.3
65.03923	2.9
67.05507	51.7
69.07064	4.3
70.28020	2.6
70.28409	3.8
72.22711	1.2
78.77581	1.1
79.05491	14.0
79.87727	1.1
81.07059	57.1
83.01332	2.1
83.04964	2.4
83.08615	1.8
91.05501	6.2
93.07052	12.5
95.04980	2.0
95.08611	46.0
97.10133	1.2
98.20851	2.2
105.07028	3.2
107.08609	6.0
109.10161	23.5
119.08567	2.9
121.10124	7.4
123.11711	11.8
125.05939	1.9
131.08565	2.5
133.10103	4.3
135.11676	5.5
137.05992	3.1
137.13268	4.2
141.05472	16.3
145.10161	2.2
146.17860	1.3
147.11713	3.1
149.13260	4.2
151.07529	3.1
151.14830	2.0
153.05469	26.0
159.11720	3.1
161.05966	1.6
161.13187	3.7
163.14795	2.0
164.04668	1.5
167.03407	100.0
167.07088	2.8
169.04948	5.3
173.13213	2.5
175.14848	1.9
177.05498	2.4
177.16405	4.0
179.07004	5.4
181.04948	2.1
181.11885	1.2
187.14923	1.4
191.06975	1.7
195.06531	5.9
205.08606	1.9
207.10133	5.6
210.45131	1.3
217.08688	1.7
217.19527	3.4
219.10211	1.2
231.10042	1.8
243.21071	6.6
251.12828	2.4
261.22104	25.6
265.14340	1.8
279.15915	3.5
383.25778	3.0
401.18088	3.1
401.26819	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	401.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
53.21531	4.4
55.05499	11.1
56.96328	4.1
63.61087	4.3
67.05510	29.9
69.03416	6.0
69.07056	11.6
69.49694	32.5
78.54649	4.5
79.05505	52.1
81.07063	65.4
83.04955	5.6
83.08577	5.3
91.05495	68.7
93.07054	54.9
95.04980	35.8
95.08613	29.9
97.06524	13.8
98.21234	19.6
105.07030	60.3
107.04925	12.7
107.08603	21.9
109.06498	18.5
109.10131	7.3
117.06997	25.4
119.08564	41.4
121.06480	9.7
121.10126	14.4
123.08024	7.8
128.06238	6.2
129.07028	27.9
131.08592	33.9
133.10121	23.5
135.08041	31.9
135.11674	4.7
137.05998	23.6
137.09659	7.5
141.06937	5.3
143.08543	10.1
145.10126	43.8
147.08034	10.3
147.11749	21.8
149.09613	10.1
153.01814	5.2
153.05545	6.6
155.07051	100.0
155.08325	8.0
157.10156	6.1
159.11673	8.8
161.13310	5.1
165.09035	7.4
167.07082	22.6
169.10117	6.8
171.11703	36.4
173.13321	5.3
181.04962	90.8
183.11589	8.2
185.13231	8.1
187.11189	7.6
187.14853	27.4
189.12801	16.5
191.07043	9.3
201.16444	12.5
205.15971	8.4
211.14786	19.2
229.15860	25.7
231.10210	5.6
247.16934	51.9
263.74933	4.2
376.71594	5.6
401.22662	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	401.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01853	2.6
55.05515	12.4
57.07069	6.5
58.02681	1.9
65.03938	4.3
67.05506	65.9
68.99797	2.3
69.03407	2.5
69.07079	9.7
71.08616	3.0
72.04497	2.1
79.05498	30.2
80.05849	1.7
81.03426	2.2
81.07060	77.4
83.04982	2.5
83.08611	7.7
84.31853	1.5
85.06496	2.5
88.02206	4.5
91.05488	18.3
93.07043	29.7
95.04977	8.8
95.08613	61.8
97.06558	2.2
97.10161	3.3
98.20745	5.8
98.21458	8.2
105.07034	15.4
107.04966	4.3
107.08598	17.8
109.06519	4.5
109.10159	20.5
111.04466	2.3
117.07012	5.9
119.08583	13.1
121.06470	2.7
121.10141	18.5
123.04430	12.4
123.08051	2.5
123.11707	10.9
125.05975	2.7
127.03922	3.0
131.08546	7.9
133.10150	10.7
135.11711	15.1
137.05981	4.6
137.09647	2.2
137.13229	7.2
139.03922	7.4
139.07523	3.7
141.05484	31.7
145.10121	8.2
147.08052	2.6
147.11682	8.2
149.13249	7.9
151.07547	6.1
151.14810	2.9
153.01840	12.2
153.04312	3.5
153.05478	52.1
155.07018	2.3
159.11667	5.6
161.13251	5.0
163.14781	7.5
165.09151	2.0
167.03410	100.0
167.07027	4.5
169.04935	2.3
170.01964	2.5
173.13239	6.5
175.14771	2.6
177.05473	3.6
177.16347	6.3
179.07048	14.6
181.04950	5.7
187.14899	4.3
191.06989	2.4
195.06494	8.5
205.08620	2.6
207.10133	10.0
215.17935	2.4
217.19571	10.0
217.21382	2.0
219.21104	2.2
221.11752	4.6
229.32225	2.4
233.22670	2.7
243.21051	11.6
261.22150	29.3
279.15778	2.3
282.86554	2.0
383.21811	4.3
383.25885	5.6
401.23077	3.0
401.26953	20.1
401.34021	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01860	0.9
55.05511	4.9
65.03931	0.8
67.01863	1.8
67.05508	10.9
68.99792	1.2
69.03427	1.1
69.07080	2.6
79.05495	18.1
81.03399	0.8
81.07060	11.2
83.01338	1.0
83.05004	0.7
83.08616	1.6
83.34759	0.4
85.02898	0.5
86.15569	0.4
91.04968	0.6
91.05488	8.7
93.06464	1.0
93.07050	17.5
95.04965	1.8
95.08038	0.8
95.08614	8.3
95.77547	0.5
97.02876	1.3
97.06516	1.3
99.08087	0.9
105.04519	0.8
105.07030	6.1
107.04926	0.5
107.08591	5.2
107.43114	0.4
109.06490	0.5
109.10169	3.8
109.54951	0.4
111.04529	0.5
117.07000	2.2
119.08600	2.9
121.10150	9.9
123.04414	1.2
123.11723	1.7
125.05987	0.8
125.09668	0.6
127.03071	0.8
127.03924	9.9
131.08551	3.8
133.10112	3.1
135.11702	4.4
137.05978	1.1
137.09637	0.6
139.03918	3.6
145.10141	3.0
147.11674	1.5
149.09578	0.7
149.13274	2.1
151.03935	1.2
153.01834	100.0
153.05435	1.7
154.02162	0.7
155.07039	3.3
157.10237	0.5
159.11699	2.3
163.03868	0.6
163.07661	0.5
165.01799	2.8
167.03395	1.2
167.07094	0.8
169.04945	2.4
173.13287	1.2
179.03398	1.3
181.04967	45.9
183.02892	1.1
187.14825	1.4
189.16386	1.0
191.07053	0.6
193.04968	0.9
197.08133	0.8
203.17783	0.6
205.04878	2.2
207.06535	1.6
215.17923	3.6
219.06421	0.4
231.06458	0.9
231.10291	0.6
233.08131	1.8
233.19014	1.4
247.09784	1.1
248.54176	0.4
257.19040	0.7
259.09634	0.6
275.20123	0.8
287.72733	0.5
327.15610	1.0
365.20908	0.7
383.22177	11.1
401.23032	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03945	7.5
55.01868	5.9
55.05516	18.2
57.03442	4.0
57.07069	2.3
57.34372	2.0
65.03935	3.0
67.05505	53.1
68.99809	2.5
69.03426	6.7
69.07066	19.6
71.04992	4.2
71.56578	2.9
77.03916	2.1
79.05495	57.4
81.03419	5.9
81.07058	50.0
82.08208	1.9
83.04986	12.1
83.08627	10.5
85.02905	2.1
85.06577	3.8
91.05482	98.9
93.07046	48.3
95.04985	14.8
95.08607	33.4
97.06536	7.6
97.10160	2.4
99.04444	2.9
103.05486	6.5
105.04543	3.3
105.07030	100.0
107.04969	15.4
107.08590	30.9
109.06531	13.1
109.10167	15.1
111.04455	2.1
111.08089	4.4
115.05468	4.9
116.06206	2.0
117.07021	26.7
119.04938	2.2
119.08586	71.9
121.06524	7.0
121.10147	21.0
123.04443	3.8
123.08032	3.5
125.05988	5.4
125.09665	4.2
127.03941	12.5
129.07011	13.5
130.07762	2.5
131.08574	51.9
133.06483	4.7
133.10135	27.8
135.08046	6.4
135.11653	9.4
137.05969	21.5
137.09637	4.1
139.03923	6.5
139.07510	3.8
141.05507	3.2
141.06996	4.7
143.08574	11.7
145.10115	26.2
147.08080	6.3
147.11688	10.8
149.05959	2.6
149.09641	6.7
151.03893	2.0
151.07564	7.9
153.01787	11.1
153.05464	5.8
155.07034	66.0
155.08423	4.4
157.10083	5.5
159.08060	4.2
159.11714	7.4
161.09634	7.6
161.13280	5.1
163.07642	2.5
163.11215	4.4
165.05545	2.0
165.09094	5.2
167.03413	2.9
167.07045	39.4
167.08418	3.6
167.10762	2.4
168.09410	2.7
169.10167	8.7
171.11713	2.9
173.09598	2.8
173.13278	6.2
175.07571	2.8
175.14798	2.0
177.05496	2.6
179.07062	5.0
179.10730	2.5
181.04968	32.6
181.06514	2.9
181.08559	2.7
181.10172	2.6
183.11678	8.9
185.13272	6.0
187.14882	5.7
189.12692	2.3
191.07027	11.1
191.10727	3.2
193.08627	3.9
201.12746	3.8
201.16405	6.6
203.14246	2.2
205.08600	4.1
205.12300	2.0
211.14868	11.2
213.16418	2.9
217.08644	5.5
218.09326	3.0
219.10129	2.6
219.17401	4.8
229.15855	11.3
231.10120	2.9
245.11835	2.8
247.09604	2.6
247.16942	67.0
255.17314	2.9
257.19022	2.6
261.14633	2.3
275.20038	5.5
315.08765	4.4
319.20517	2.1
330.11057	5.8
365.21317	3.2
368.12735	2.4
383.14713	3.8
383.22198	11.1
401.22964	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31119	3.8
51.91198	3.8
53.03957	4.8
55.01867	7.0
55.05513	12.9
57.03443	7.6
65.03940	7.7
67.05164	7.0
67.05506	73.4
68.99786	4.3
69.07070	14.0
71.04984	7.5
79.05498	57.9
81.07065	100.0
83.04974	6.2
83.08636	7.7
85.06530	4.2
91.05488	51.8
93.07047	47.7
95.04977	33.0
95.08604	46.1
97.06544	5.8
98.21112	28.7
99.04454	10.8
105.07033	57.3
107.04945	8.0
107.08594	28.1
109.06539	18.8
109.10156	17.1
112.11407	4.3
117.07013	22.3
119.08594	35.2
121.06520	7.1
121.10151	24.1
123.04446	4.4
123.08099	6.1
127.03922	27.5
129.07005	13.0
131.08560	31.6
133.10156	30.7
135.08078	18.3
135.11687	12.0
137.05971	23.5
137.09659	7.6
139.03905	31.0
143.08536	7.6
145.10129	26.4
147.11732	15.2
151.03867	7.3
153.01828	52.3
155.07021	50.5
157.10178	6.0
159.11700	15.4
163.03853	6.2
163.11328	5.7
165.05501	13.4
167.03423	9.8
167.07094	9.2
173.13281	9.9
175.14825	8.3
177.05489	10.8
181.04997	36.8
183.11633	5.6
185.13345	4.9
187.14764	5.6
191.03348	10.8
191.07011	5.1
191.14288	9.6
193.08563	6.3
195.06419	5.8
201.16327	8.3
203.07066	8.5
205.05032	7.2
209.04478	8.5
219.17386	8.5
229.08760	5.1
233.19011	4.7
247.16983	37.1
257.19052	8.4
275.20050	44.7
365.21130	5.3
383.22260	26.7
401.23044	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54067	2.8
54.60362	2.7
55.01865	7.9
55.05511	15.3
57.03432	8.4
57.07065	3.6
58.34618	3.0
58.78876	2.6
67.05502	48.2
68.99799	3.9
69.03434	5.4
69.07056	13.8
70.65952	9.3
71.04984	4.4
79.05499	49.8
81.03421	3.6
81.07061	92.7
83.04989	5.3
83.08622	6.8
91.05486	45.9
93.07047	31.6
93.14970	3.0
95.04954	16.5
95.08608	38.9
97.06531	5.7
98.21258	6.5
99.08127	3.3
105.07034	55.5
107.04967	20.8
107.08598	24.4
109.06521	25.0
109.10149	13.4
111.08086	4.4
117.07030	10.8
119.08584	32.0
121.06524	6.4
121.10139	13.9
123.04433	3.0
123.08099	7.5
127.03928	58.5
129.07013	6.5
131.08556	17.8
133.10139	33.2
135.08093	4.9
135.11684	7.3
139.03920	24.0
143.08548	5.8
145.10136	18.6
147.11697	23.9
149.09660	4.0
149.13257	7.1
153.01840	64.0
153.05431	15.1
155.07010	4.2
157.10121	7.6
159.11716	11.6
161.13275	7.7
165.05450	4.7
165.12766	3.2
167.07095	3.1
171.11792	4.6
173.13249	5.5
175.11168	5.7
175.14792	3.1
177.67435	2.7
181.04999	6.6
187.14751	3.0
191.07062	5.9
201.16301	4.6
217.08582	3.2
219.17474	54.2
229.19489	3.6
239.17979	3.7
247.20424	5.8
257.18997	10.0
275.20068	100.0
360.33975	3.0
365.20322	3.1
383.22180	12.2
396.90915	3.0
401.23276	14.3
401.38092	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
53.90855	1.6
55.05513	8.7
65.03929	1.6
67.05506	13.5
69.07057	7.2
71.04963	2.1
71.11087	4.0
79.05489	14.8
81.06306	1.8
81.07064	21.9
82.38885	1.7
83.08611	6.0
85.06548	1.9
91.05489	18.5
93.07030	11.6
95.04972	100.0
95.08621	12.1
96.05280	2.6
97.06508	3.6
97.10190	2.0
105.07050	17.3
107.04950	6.4
107.08611	12.1
109.06487	2.3
109.10152	5.6
111.08098	3.0
117.07011	6.1
119.08569	10.7
121.06451	2.0
121.10185	5.9
123.11728	2.7
127.03923	25.4
131.08551	6.6
133.10121	8.3
135.08002	2.2
135.11736	3.7
139.03912	10.0
141.06995	2.5
143.08563	3.3
143.58588	1.8
145.10144	6.5
147.11703	8.7
149.09622	1.9
153.01834	34.3
153.05458	2.0
155.03464	2.0
157.10197	3.2
159.11729	4.3
161.13264	2.1
163.11229	3.1
163.14833	10.5
167.07114	2.5
168.07362	1.7
169.10182	2.3
171.11691	2.8
173.13278	2.1
181.04948	4.6
181.15997	3.9
182.05318	2.3
183.05315	1.9
183.11777	2.3
197.13191	1.9
231.35893	1.9
238.46014	1.9
239.17950	2.3
257.19070	6.3
275.20084	24.4
307.19080	5.0
383.22113	7.4
401.23007	5.0
421.69189	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42117	4.2
53.03957	4.3
55.05510	19.6
65.03932	4.3
67.05503	44.8
68.99829	5.3
69.03432	4.6
69.07073	11.4
70.04179	17.6
70.33647	4.5
71.04996	5.4
73.01765	4.7
73.46658	3.8
79.05492	53.5
81.07062	64.6
83.08621	5.2
84.43486	4.3
84.99464	4.8
85.02908	5.2
91.05483	69.3
93.07049	59.9
95.04973	43.5
95.08621	39.5
97.06496	5.6
99.04476	8.9
105.07037	79.2
107.04943	8.1
107.08598	25.4
109.06513	4.9
109.10176	7.8
117.07047	17.1
119.04934	4.6
119.08590	39.7
121.10187	23.9
123.04415	4.4
127.03929	34.2
129.07051	13.5
131.08571	49.6
133.10147	47.5
135.08105	5.3
135.11717	16.0
137.05998	7.9
139.03905	50.6
142.31155	3.9
143.08565	13.4
145.10130	42.1
147.11687	21.6
149.09702	5.7
153.01840	100.0
153.05453	9.6
157.10150	10.9
159.11702	18.9
161.13303	9.1
163.03984	5.6
165.05499	10.9
167.03418	6.6
171.11725	12.8
173.13188	11.0
175.14841	9.3
177.05438	13.3
181.05070	10.8
183.11870	5.8
195.06555	8.9
199.14833	13.0
209.04469	8.1
217.15862	7.7
233.19019	10.7
233.50484	5.1
239.17914	11.9
257.18884	11.7
275.20059	48.1
343.18564	4.8
383.22034	32.5
401.23328	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82911	2.0
53.03934	6.3
55.01869	5.0
55.05519	13.2
57.03452	2.8
65.03914	2.5
67.05508	24.8
68.99780	2.7
69.07066	9.4
70.02473	9.4
71.04969	3.2
77.03944	2.1
79.05495	31.5
81.03398	2.1
81.07064	58.6
83.04996	2.9
83.08625	10.9
85.06545	3.1
90.87597	2.2
91.05484	26.4
91.39812	1.9
93.07043	30.3
95.04972	100.0
95.08617	24.8
97.06531	3.6
97.10168	4.1
98.20770	2.4
99.04479	3.7
99.05618	2.5
105.04536	2.4
105.07034	36.5
107.04949	12.4
107.08597	21.4
109.06517	8.1
109.10155	8.0
111.08086	3.5
117.07015	6.8
119.08585	20.2
121.06490	5.2
121.10149	16.0
123.11710	4.5
127.03925	39.5
129.07005	3.9
131.08585	14.5
133.10133	18.7
135.08035	3.2
135.11684	6.2
137.05992	5.4
137.09679	2.1
139.03902	26.9
143.08563	3.8
145.10152	13.0
147.11688	10.8
153.01834	74.0
153.05446	4.6
155.03339	3.6
155.06946	4.1
157.10153	6.3
159.11696	7.0
161.13242	3.6
163.14822	14.4
165.05446	4.3
167.03337	2.4
169.10081	2.5
173.13275	5.9
173.30940	2.4
175.11224	4.8
175.14827	6.0
177.05447	5.3
179.07053	3.1
181.05019	2.5
181.08672	2.2
181.15898	5.0
187.11296	2.9
193.08623	2.8
195.06345	3.1
199.14928	2.6
205.08661	2.2
217.08627	3.0
229.19418	3.0
233.18810	2.7
239.18213	3.1
257.19003	7.3
270.70761	2.3
275.20068	57.4
292.60516	2.4
293.21078	2.9
307.18961	3.8
313.17636	2.5
383.22116	12.0
401.23163	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05552	5.1
53.03941	10.6
55.01865	16.0
55.05504	20.6
65.03935	5.1
67.05505	64.9
69.03407	8.2
69.07066	12.0
70.60728	5.6
70.76269	15.3
79.05495	70.6
81.03430	5.7
81.07057	100.0
83.08606	12.5
91.05482	69.6
93.07044	66.6
95.04958	44.9
95.08599	51.0
97.06510	9.7
98.21255	8.4
105.07032	98.5
107.04948	20.8
107.08603	28.6
109.06499	23.9
109.10151	17.2
111.04428	6.9
111.08067	6.0
115.05378	6.5
117.07036	31.7
119.08588	53.8
121.06501	5.2
121.10123	22.4
123.04402	6.8
123.08067	8.3
127.03922	32.8
128.06212	6.6
129.07001	28.4
131.08575	54.8
133.06467	7.0
133.10126	37.9
135.08041	34.1
135.11656	14.5
137.06007	31.2
137.09602	11.5
138.50960	5.0
139.03908	19.7
143.08530	16.1
145.10135	59.2
147.07965	7.2
147.11688	31.0
148.49783	5.2
148.76483	5.3
149.09613	9.8
151.07570	7.1
151.11214	6.7
153.01823	47.4
153.05457	8.2
155.07050	96.8
155.08424	14.2
157.10132	8.6
159.11684	12.2
161.13216	10.9
163.11162	10.8
165.05556	5.5
167.07043	29.6
169.10153	12.4
171.11661	34.4
173.13242	7.9
181.04959	81.3
185.13254	11.0
187.14838	21.4
189.12720	24.0
190.36443	4.9
191.06932	8.1
201.16356	12.5
205.15805	8.1
209.08025	5.8
211.14807	15.0
229.15813	20.4
247.16942	72.2
257.19101	8.8
275.12656	6.9
275.20038	47.2
383.21967	11.5
401.22931	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	401.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04449	5.4
53.03958	11.5
55.01871	5.2
55.05505	18.5
58.36495	4.9
62.49799	5.5
65.03931	7.5
67.05511	47.2
69.07068	23.4
69.31798	48.5
79.05501	65.7
81.03416	11.2
81.07063	100.0
83.04984	13.9
87.02821	4.9
91.05488	59.6
93.07050	63.4
95.04974	68.9
95.08622	35.8
97.06549	9.3
97.10143	4.7
98.21353	22.7
99.04442	7.0
102.34840	6.0
105.07034	68.5
107.04972	17.2
107.08607	32.4
109.06530	18.9
109.10143	11.8
111.08107	5.6
117.07007	18.5
119.08589	37.3
121.06498	6.5
121.10139	20.2
127.03942	42.8
131.08586	36.9
133.10138	38.5
135.08037	7.1
135.11696	17.9
137.06015	8.9
139.03906	49.1
143.08553	7.9
145.10162	28.1
147.08015	5.4
147.11693	26.1
153.01825	97.5
153.05443	9.8
155.07080	11.7
157.10165	11.4
159.11649	17.2
163.03931	8.7
163.14830	9.0
165.05566	7.7
173.13290	8.7
175.11079	5.5
175.14902	8.2
179.07008	7.1
181.05005	10.4
187.14761	7.9
191.03345	5.6
193.12300	7.3
199.14769	9.6
203.07024	7.3
213.16281	6.0
217.15790	7.6
217.51677	5.9
233.19002	11.5
239.17758	5.5
257.19043	19.8
275.20074	93.2
343.45044	5.1
383.22028	30.9
401.23416	8.2
428.51349	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01854	8.2
55.05505	18.7
57.07066	10.7
59.61812	3.5
65.03900	4.2
67.05507	52.1
69.03429	6.5
69.07068	15.2
70.06593	9.4
71.05008	5.6
71.57030	6.7
72.73930	3.4
79.05493	63.3
79.38586	3.7
81.03411	5.8
81.07056	76.7
83.04977	7.8
83.08613	11.1
85.06540	5.0
87.04448	5.4
88.07646	11.0
89.07930	4.5
90.29642	3.8
91.05484	56.5
93.07049	59.4
95.04973	22.7
95.08616	60.1
97.06540	7.6
99.04445	9.7
102.09159	5.5
105.07034	50.1
107.04946	8.9
107.08599	57.5
109.06541	10.7
109.10143	30.2
117.06995	20.7
119.08591	36.1
121.06474	5.0
121.10150	36.6
123.04428	6.3
123.11697	10.9
125.06035	5.9
127.03909	37.5
130.07695	3.9
131.08554	30.8
133.10124	32.2
133.49495	3.6
135.08073	9.0
135.11723	23.2
137.05980	11.8
137.09610	8.1
139.03902	20.6
141.07019	5.2
143.08595	5.8
145.10139	24.1
147.08046	4.3
147.11737	21.3
147.15675	3.8
149.06006	5.2
149.09616	6.4
149.13258	6.8
151.03914	5.4
151.07495	5.2
153.01834	100.0
153.05423	23.6
155.07085	10.3
155.08536	5.7
157.10124	11.0
159.11679	20.8
161.05957	7.1
161.13258	7.6
163.03885	4.4
163.11208	3.8
165.01723	5.0
165.05446	14.6
167.03438	9.1
167.07077	7.4
169.10248	6.2
171.11726	7.4
173.09589	5.5
173.13277	7.4
175.14825	5.6
177.05466	14.6
179.03380	4.5
179.07129	8.1
181.03526	3.6
181.04898	21.7
183.06546	5.2
183.11734	4.7
187.14848	5.3
189.16365	5.2
191.03479	6.1
191.07155	8.2
195.06639	7.5
197.38356	4.3
201.16371	13.7
203.07088	4.2
205.15831	4.5
209.04495	14.0
211.14880	5.1
215.17924	9.0
219.17348	13.1
239.17899	5.5
247.17018	10.7
257.18927	8.5
261.10944	4.2
262.67581	3.9
275.20074	39.6
338.34128	5.3
339.34613	6.6
365.21091	9.0
383.22113	73.1
400.37897	6.7
401.22781	32.2
401.38242	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
64.57185	1.8
69.47668	11.6
69.48086	4.9
79.05501	16.3
81.07040	4.1
85.02915	2.5
91.05466	7.4
93.82458	2.2
95.04952	4.7
102.80589	2.0
107.04955	29.5
113.03453	2.6
115.05450	6.9
116.06246	4.5
123.04419	3.2
124.05196	4.8
124.99196	2.0
125.05984	3.0
129.07011	7.9
131.08588	12.1
132.05707	2.0
134.31207	1.9
141.07004	6.5
144.05687	9.0
145.06465	6.7
147.13283	2.1
152.04684	3.1
153.05544	2.2
156.05710	12.7
157.06496	3.9
158.07278	4.7
159.07994	14.9
161.06030	4.4
167.07050	75.4
172.05211	4.0
173.05948	2.6
179.07018	2.7
184.05138	2.7
186.06795	5.7
187.07555	8.6
189.07027	2.3
190.07776	2.2
191.08577	2.8
201.09068	5.0
202.07867	3.7
203.08617	4.1
205.08521	12.3
206.07388	3.1
207.06429	3.4
207.08197	3.2
208.05194	12.0
208.08859	4.6
210.63255	2.4
215.08632	3.2
217.08583	21.3
218.07253	5.7
219.08020	13.0
219.10101	5.3
220.08853	8.0
221.06020	7.7
221.09550	2.8
229.08508	10.7
231.08076	9.0
231.10147	2.9
232.08879	4.2
233.06087	2.9
233.09662	5.5
234.06789	3.6
235.11284	3.4
236.04716	7.3
236.08316	5.2
245.09576	5.1
246.06789	3.3
247.07564	15.7
247.09743	25.2
248.08249	14.8
249.05368	5.6
249.09128	7.4
250.06288	2.7
251.10648	2.9
254.05713	4.3
255.06570	2.5
259.07559	4.7
261.05261	2.4
261.09134	5.4
262.09979	2.3
263.06976	5.1
263.10675	11.0
264.07901	10.2
265.08594	9.6
267.06467	6.7
268.03778	2.3
269.08130	14.8
271.09647	8.4
275.07086	6.4
276.07828	8.1
277.08609	8.4
279.07202	3.1
279.09967	12.6
281.08176	3.6
282.05759	4.1
282.08850	15.3
284.56897	2.3
290.09314	7.7
291.10159	20.7
292.07233	5.8
292.10596	2.7
293.08084	9.9
295.09616	2.9
299.09229	4.2
301.07523	2.5
305.08127	3.8
305.11441	2.4
307.09641	16.7
308.10413	7.7
309.11176	4.2
310.08286	7.3
315.08636	50.0
319.09662	9.0
320.10156	2.8
321.07599	4.6
321.11063	2.9
323.12735	17.4
324.09784	3.3
325.10724	5.2
328.09485	2.7
330.10962	56.5
331.11700	8.2
335.09241	4.6
336.09912	2.8
337.10767	8.6
338.07416	3.0
339.12216	7.7
343.11646	13.5
350.11389	2.5
351.12241	22.5
352.13010	4.7
353.10211	9.4
356.12521	5.4
368.12616	16.8
369.13528	4.1
371.15201	3.7
383.14874	100.0
384.15436	2.4
401.15854	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83216	4.0
52.01008	4.0
55.63704	3.8
57.03422	11.8
57.63199	4.0
69.03436	6.5
69.57693	30.1
70.06573	5.8
74.53544	4.0
79.05486	17.5
81.03405	4.7
81.07052	7.2
85.02891	12.7
85.06538	5.7
91.05494	9.9
95.04948	14.3
98.21315	13.6
99.04446	13.5
102.60554	4.6
103.03934	6.4
103.05459	6.9
105.07012	29.9
107.04962	30.5
109.02873	9.1
113.03474	8.4
115.05492	6.0
117.05497	19.0
117.07017	4.5
119.08580	5.1
123.04435	11.2
124.03932	7.3
127.03913	15.0
128.06197	10.7
129.07004	8.6
130.07841	4.3
131.08557	9.1
133.06511	58.6
135.04427	6.3
137.02335	6.7
137.04999	7.2
137.05983	100.0
141.07062	4.9
144.05756	6.2
145.06450	7.0
153.01819	12.2
153.05382	9.1
156.05716	7.6
157.06496	5.5
157.08655	5.1
159.08078	15.2
163.07550	5.7
165.09129	30.2
167.07060	55.0
170.07266	7.3
171.08008	5.2
175.07536	15.2
177.05460	5.6
177.09050	12.0
179.06960	5.6
181.04947	6.7
181.08604	4.5
183.06490	11.8
183.10233	13.8
187.07561	11.4
193.08597	6.8
203.10680	6.1
217.08598	27.4
218.09322	10.3
219.08255	9.2
219.10146	14.8
221.11775	13.9
229.08469	4.9
231.08113	6.4
231.10182	14.0
236.08128	6.5
239.12703	6.1
247.07468	15.9
247.09711	9.8
248.08159	6.0
257.13867	16.3
259.07452	5.9
262.09781	7.2
263.10516	4.6
264.07718	5.2
269.08133	10.4
275.07086	5.9
276.07822	7.1
277.08719	9.5
279.10040	12.6
282.09058	5.7
291.10019	13.1
293.07999	8.6
307.09711	11.9
308.10645	6.1
315.08539	17.2
319.09497	7.2
330.10962	17.9
331.11652	5.4
337.10498	5.3
343.12079	5.6
351.12177	16.6
353.10068	7.8
365.15900	9.6
368.12393	7.9
369.13522	9.0
371.14941	5.2
383.14786	58.9
401.07907	6.3
401.15967	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70960	13.4
70.31757	2.2
78.04696	2.1
79.05496	13.7
81.07057	3.2
86.31592	2.3
91.05495	7.1
93.21956	2.0
95.05013	4.4
95.98785	1.9
98.21261	6.5
107.04950	24.5
115.05442	4.8
116.06277	2.6
123.04406	3.6
124.05206	8.2
125.05969	3.3
128.06250	2.6
129.07016	8.3
131.08575	8.7
141.06985	5.9
144.05708	10.2
145.06523	4.3
152.04729	4.3
153.05510	2.6
156.05684	11.0
157.06436	4.5
158.07304	2.8
159.08061	21.8
163.04028	2.5
165.06981	5.3
167.07043	74.9
169.06508	3.1
169.43820	2.3
170.07307	3.7
173.05978	3.7
179.06917	2.5
181.04901	2.5
186.06813	6.2
187.07533	7.2
191.08621	4.5
195.06410	2.6
201.09157	3.9
202.06187	2.8
202.07826	5.2
203.08589	3.6
205.06715	3.5
205.08623	11.8
206.07309	2.5
207.06480	2.4
207.08183	4.1
208.05225	17.6
208.08861	3.9
209.09746	3.5
210.06810	4.4
211.07578	3.8
215.08704	3.1
217.08644	19.1
218.07327	4.6
219.08046	16.3
219.09993	3.9
220.08836	5.2
221.06012	7.6
221.09616	3.9
226.06198	2.4
229.08615	11.9
231.08054	9.7
231.10156	3.5
232.08908	3.7
233.05942	3.4
233.09625	5.9
235.07492	5.9
235.11234	3.4
236.04698	4.5
236.08353	7.1
237.09077	2.4
238.06200	2.4
239.06990	3.5
240.04054	3.5
245.09665	5.9
246.06741	3.5
247.07518	20.3
247.09697	19.3
248.08298	17.6
248.59062	2.0
249.05502	4.3
249.09157	4.0
250.06256	2.6
251.10591	3.7
254.05779	3.9
259.07510	5.7
261.09186	7.0
262.09903	7.8
263.07407	3.4
263.10715	12.3
264.07941	11.9
265.08636	6.7
267.06555	9.4
269.08087	18.7
271.05939	2.3
271.09656	7.1
272.06903	3.9
275.07068	8.4
276.07901	12.0
277.08655	9.8
279.07532	2.0
279.10159	14.0
280.07019	2.9
280.10870	2.5
281.08084	2.7
282.08856	18.8
285.07526	2.6
287.09381	2.8
289.08466	3.4
290.09393	3.6
291.06818	4.2
291.10187	17.4
292.07480	5.3
293.08066	9.4
294.08661	3.4
299.09235	5.6
305.08441	4.8
305.11584	2.9
307.09634	16.0
308.10434	8.7
309.07529	3.1
310.08411	7.1
311.12778	4.7
315.08621	55.2
316.09326	2.4
318.09000	2.3
319.09723	10.7
321.07501	6.6
321.11005	3.2
322.08264	3.7
323.12766	17.1
325.10870	3.9
327.08438	3.2
328.09494	6.4
330.10971	60.0
331.11734	9.9
333.11169	2.8
335.09158	2.2
336.09982	6.8
337.10617	8.3
339.12280	11.3
343.11740	21.3
351.12271	27.7
352.13046	3.7
353.10117	7.9
356.12494	4.8
356.34494	2.3
368.12476	12.7
371.14990	4.5
383.14890	100.0
401.15860	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	401.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	11.3
69.68124	8.1
71.71615	1.3
71.95261	3.3
72.61779	1.5
76.81882	1.2
90.11422	1.4
98.97585	100.0
99.70111	1.4
99.97897	2.0
116.98626	81.4
118.98224	2.6
127.11095	1.4
134.99664	46.3
140.00172	2.4
153.00772	6.6
167.62604	1.5
172.94327	2.0
177.00977	2.9
190.95428	3.6
216.98770	2.1
219.01993	2.9
232.96503	3.1
234.99866	2.9
240.98816	4.4
250.97472	2.6
256.96552	5.7
258.99796	57.3
259.99979	2.7
260.99792	3.8
261.03143	6.8
262.03183	3.3
263.02884	2.7
274.94394	1.7
274.97522	51.6
275.97818	6.4
276.97726	8.4
277.00821	82.3
278.01105	3.2
279.00659	3.9
282.01337	2.9
282.99982	8.0
284.99884	2.8
291.02365	2.9
292.98572	31.1
293.99042	2.4
294.98752	5.2
297.99237	2.8
300.02408	2.8
301.01117	12.2
303.01001	3.8
316.98941	2.2
318.98740	2.4
382.99905	5.6
401.01080	23.3
418.98117	5.1
419.02713	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	401.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	21.2
59.63953	13.2
60.30727	12.9
61.73322	13.4
69.00946	12.7
69.03420	30.7
69.77335	23.3
69.77728	46.9
70.28955	13.6
73.57951	12.6
85.02914	40.1
87.89991	12.9
97.02876	22.1
100.80154	12.3
109.02998	14.7
119.01926	30.4
127.03903	17.8
153.01846	68.9
155.01788	20.8
173.02937	25.7
181.04959	22.5
185.02943	25.7
198.98549	76.9
200.98387	14.0
216.99675	20.1
219.01688	16.2
236.77829	13.8
245.05147	63.8
363.15103	15.7
401.04529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05511	4.0
55.48663	0.5
57.03431	0.8
61.02914	0.9
69.03432	8.6
70.06582	3.0
71.04988	1.2
71.56428	0.6
73.02914	0.7
73.06174	0.9
73.06557	13.3
78.03438	2.3
81.03420	5.3
83.04991	3.5
83.45145	0.5
85.02905	11.2
91.03956	0.5
94.02923	0.7
96.04430	0.7
97.02892	9.2
99.04455	1.5
101.06026	1.0
105.06959	0.5
106.02909	4.1
106.45792	0.5
107.03244	1.4
109.02868	4.0
110.03204	0.6
113.03509	0.5
122.02377	5.2
124.03958	3.7
125.04292	2.1
127.03926	8.4
139.05029	100.0
140.03433	71.2
140.05190	1.0
143.03348	0.6
145.04976	5.6
153.01825	1.1
163.03922	0.6
167.07065	1.6
173.64528	0.5
177.05519	1.4
181.04832	1.0
187.07626	0.8
205.08681	0.5
221.11810	0.9
231.06476	0.7
239.12946	0.6
245.10255	1.6
247.76241	0.6
250.07249	0.5
251.07512	1.9
268.08197	1.2
269.08487	1.5
293.15744	0.6
315.08850	0.9
330.10742	0.7
383.15109	2.4
401.15668	17.7
402.15903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
68.78453	2.7
69.93378	7.7
69.93793	5.7
70.06623	2.4
79.05486	14.9
81.07031	4.0
84.04089	2.9
85.02890	6.6
89.21075	2.6
91.05481	5.9
91.66704	2.5
95.04964	4.7
98.21072	6.9
107.04967	22.4
108.83556	2.5
111.77506	2.8
123.04419	6.8
124.05212	4.0
129.07021	7.8
131.08556	7.3
141.06987	4.9
144.05701	7.8
145.06485	5.1
149.05995	3.2
151.03900	4.1
152.04703	4.2
153.01866	3.9
156.05719	9.5
157.06602	3.4
159.08063	8.0
159.22009	2.5
167.07034	78.7
169.06525	5.8
173.06041	3.0
181.05023	3.7
186.06767	3.9
187.07559	8.1
191.08513	5.1
195.06416	3.0
203.08638	3.8
205.06787	4.7
205.08611	13.3
205.10277	3.2
207.06583	4.3
208.05167	18.5
208.08847	5.0
215.08534	3.9
217.08508	17.8
217.10376	2.9
218.07242	3.8
219.08044	17.9
219.10031	6.2
220.08727	3.5
221.05923	6.1
229.08595	7.2
231.08002	9.7
231.10081	3.4
233.09546	7.4
234.06766	3.8
235.07565	5.9
236.04640	6.1
236.08229	6.6
237.09132	3.5
239.12784	12.0
245.06075	3.0
245.09601	4.3
247.07526	14.1
247.09702	9.9
248.08369	15.2
249.05592	3.6
249.09015	4.6
251.06964	2.8
251.10643	4.5
253.08685	3.6
254.05833	11.1
259.07489	5.5
261.09195	6.1
262.06494	2.9
262.09720	6.2
263.07104	3.8
263.10620	12.2
264.07520	6.7
265.08514	6.2
267.06464	3.7
269.08151	14.5
269.76837	3.1
271.09647	8.0
272.06714	3.6
275.06940	10.7
276.07678	7.9
277.08499	6.3
278.09082	3.0
279.10129	13.7
282.05560	3.4
282.08896	14.1
290.09207	4.4
291.10217	16.2
292.07349	4.7
293.08069	11.2
296.10107	3.0
305.08145	3.1
307.06378	4.7
307.09650	19.5
308.10339	8.1
309.11237	4.0
310.08328	7.4
311.12863	6.0
315.08636	54.6
319.09656	11.5
320.10446	4.2
321.07565	5.5
322.08331	3.7
322.11981	4.3
323.09247	4.7
323.12769	15.4
325.10709	3.2
328.09412	5.0
330.07086	5.2
330.10938	63.5
331.11652	9.1
336.10037	6.5
337.10666	8.4
338.07657	3.2
339.12289	11.3
343.11862	12.2
351.12350	33.8
352.13120	3.4
353.10220	9.6
356.12289	3.5
368.12369	16.9
369.13123	3.1
371.14975	7.2
383.14896	100.0
401.16086	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	400.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00562	2.2
53.03934	5.2
55.05504	11.9
56.05861	2.4
67.05511	30.4
67.23831	2.3
68.05824	8.1
69.07059	8.0
69.37196	2.1
71.50024	5.1
79.05493	44.5
79.98662	2.3
80.05822	9.9
81.07059	40.7
82.07382	12.1
83.04966	4.8
83.08628	3.1
84.08957	2.9
87.04475	10.5
88.21418	2.4
91.05480	18.1
91.60896	2.0
92.05804	8.4
93.07050	65.6
94.07362	19.7
95.04941	4.2
95.08606	20.3
95.79096	2.3
96.08932	8.1
99.04465	2.3
100.38152	2.2
105.07033	16.3
105.70251	2.2
106.07362	8.6
107.08589	32.0
108.08939	16.7
109.10164	9.4
110.10487	3.1
117.07012	3.5
119.08582	14.1
120.08918	8.4
121.10148	25.0
122.10493	8.6
131.08542	5.5
132.08838	3.4
133.10138	11.1
134.10478	9.0
135.11699	28.7
136.12029	17.4
137.06009	4.6
139.03955	2.4
141.05510	10.8
142.05812	3.8
145.10165	3.1
146.10445	4.5
147.11687	8.9
148.12047	8.3
149.13246	13.2
150.13588	11.1
151.07549	3.0
153.05476	32.5
154.05771	15.3
155.07161	2.2
159.11714	6.3
161.13275	7.9
162.13617	7.6
163.14824	3.8
164.15257	4.0
164.48412	2.2
167.03409	95.9
167.07094	4.5
168.03743	44.3
169.04932	4.9
175.14867	4.7
176.15193	7.7
177.05540	2.2
179.07040	6.4
185.13271	2.2
186.13567	3.3
195.06544	5.3
196.06903	2.6
198.38924	2.3
203.25854	2.1
207.10172	2.6
208.10512	4.2
210.08698	2.4
215.18016	5.5
216.18336	9.4
217.19485	3.1
218.19847	5.2
219.06554	6.1
220.06879	7.6
241.19589	4.2
242.19958	7.0
251.91922	2.3
259.20654	11.7
260.20935	35.7
278.25888	2.3
382.24673	9.0
400.25681	100.0
401.25781	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	400.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
51.99364	0.9
52.85474	0.8
53.03962	4.5
53.04154	0.8
55.01861	1.0
55.05495	1.7
57.03437	1.8
61.02941	1.3
66.43268	0.9
69.03088	0.9
69.03438	15.1
70.06572	2.9
70.18286	3.1
71.04973	3.2
71.27169	0.7
73.02907	1.5
73.06545	2.5
78.03457	23.4
80.05012	2.7
81.03423	25.3
83.04986	0.8
85.02907	13.6
96.04488	5.2
97.02900	11.1
98.21106	1.7
99.04449	5.0
106.02921	86.5
109.02889	15.9
112.98714	0.7
118.42676	0.8
123.04429	1.1
124.03960	100.0
125.04308	1.3
127.03919	11.7
133.04977	1.4
139.05017	10.9
140.03439	9.7
143.03424	1.1
145.04950	2.7
146.06799	1.2
161.05960	1.0
174.06281	1.2
191.03485	1.1
196.06041	1.6
202.54619	0.8
209.98863	0.8
220.06871	1.8
220.09747	1.3
232.06061	1.7
238.10657	1.2
248.09181	2.1
250.07129	42.4
268.08182	39.2
284.72858	0.7
299.36557	0.8
300.06329	0.8
300.33292	0.8
400.12354	36.6
401.15897	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01872	6.7
56.52580	1.7
57.03440	17.0
61.02929	15.8
63.55797	1.7
69.03432	30.7
69.38291	16.2
69.89689	1.9
70.06590	5.3
71.01344	4.5
73.02922	56.4
78.03492	2.7
81.03404	8.8
85.02908	100.0
87.04468	3.3
87.08107	2.5
97.02898	61.8
98.20995	8.0
99.04440	3.9
100.07625	3.3
105.01544	1.7
106.02929	4.2
109.02882	12.2
111.04436	2.3
115.03925	24.3
118.08665	3.4
120.08167	2.1
121.02852	3.5
124.03955	5.4
126.05521	4.4
127.03912	37.8
133.04965	32.9
145.04968	46.4
150.07614	3.0
153.01828	5.0
154.04988	11.5
163.06020	21.7
167.07016	4.9
207.84732	2.0
223.05997	7.5
241.07149	7.3
246.50661	2.2
248.08897	2.6
251.14905	4.1
259.08090	7.0
277.08804	2.2
312.39935	2.0
330.11063	2.8
383.14853	7.3
387.25934	1.9
400.13705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01859	7.3
57.03443	14.4
57.07049	5.4
61.02927	10.9
69.03428	31.9
70.06596	2.2
70.68436	2.6
70.68773	4.4
71.01351	2.0
71.05009	2.2
73.02918	66.3
81.03420	9.6
84.96061	2.3
85.02904	100.0
87.04449	3.4
91.03952	6.8
97.02889	50.1
98.21115	4.3
99.04440	3.8
103.03912	2.1
105.03395	20.9
107.04935	3.2
109.02863	10.1
115.03926	23.8
121.55817	2.0
127.03916	36.3
133.04965	30.7
133.55513	1.9
145.04953	57.4
150.07645	3.2
163.06012	25.0
167.07092	2.0
179.06985	4.4
223.06026	3.4
240.85944	1.9
241.07062	5.0
247.11754	4.6
251.14900	4.1
259.08118	4.9
295.10370	3.1
307.09537	2.0
321.00458	1.9
343.82690	1.8
355.21796	1.8
383.14865	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	399.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
55.05519	11.5
57.07064	4.8
65.03931	4.5
67.05509	96.0
69.03430	1.8
69.07082	12.3
70.95231	1.3
71.08595	1.5
76.25598	1.5
79.05497	19.4
81.07062	100.0
83.01334	2.3
83.04952	1.4
83.08607	4.2
91.05052	1.3
91.05484	14.7
93.06550	1.7
93.07056	20.8
95.04977	2.4
95.08613	71.2
97.10159	4.0
98.21284	7.4
99.74839	1.1
105.07034	11.4
107.08611	12.5
109.06503	1.6
109.09454	2.6
109.10162	35.1
110.77759	1.2
111.08096	2.2
117.07031	3.0
119.08585	11.1
121.06528	2.1
121.10152	13.8
123.04420	1.4
123.08044	2.8
123.11716	21.3
129.07010	1.4
131.08545	4.1
133.10127	9.5
135.08063	2.3
135.11710	8.3
137.05902	2.9
137.13266	8.7
139.07523	3.0
143.08569	2.1
145.10120	4.4
147.08008	2.3
147.11670	5.4
149.13290	7.4
151.07556	4.0
151.14885	2.1
153.05452	3.0
157.10103	1.9
159.11688	5.8
161.09532	1.5
161.13216	3.3
163.03752	1.3
163.07571	1.7
163.14799	4.2
165.05508	1.4
165.09125	2.4
167.03377	4.4
167.07060	21.0
173.09552	1.4
173.13251	3.4
175.07594	2.0
175.11180	2.9
175.14732	1.7
177.09122	3.0
177.16403	1.8
179.06967	1.3
181.04956	2.0
181.08620	1.1
183.06502	5.6
185.13213	2.0
187.14795	2.1
189.12766	2.5
191.07002	13.4
193.08614	12.8
195.06451	1.2
203.10645	2.7
204.07861	1.9
205.08673	2.4
205.12318	2.8
215.10574	1.4
217.08591	2.6
217.12222	3.3
217.19411	1.5
218.09450	1.5
219.10208	1.5
219.21080	1.9
227.21489	1.4
229.12248	1.9
229.21907	1.8
231.10168	10.9
231.13802	2.6
233.11682	3.0
243.13800	1.7
245.11754	5.3
245.15230	1.4
257.15399	3.0
259.13281	3.2
259.20453	2.4
271.16803	1.6
311.20090	1.6
331.22653	2.6
357.24167	1.6
363.26666	1.8
381.20279	2.9
381.27832	5.2
399.24722	3.2
399.28952	56.5
400.29214	1.7
404.94098	1.6
424.50705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2529
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.03944	3.3
55.05516	8.1
57.07074	3.2
57.24461	1.6
59.78778	1.4
65.03942	1.8
67.05165	2.4
67.05503	29.9
68.47017	1.7
68.99791	3.4
69.07073	4.9
79.05494	47.5
81.07061	30.2
83.08600	3.5
88.15205	1.6
91.05480	24.3
93.07050	60.6
95.04977	6.8
95.08609	24.4
97.06517	1.8
97.10132	1.8
98.20901	8.5
99.50338	1.4
105.07034	21.8
106.15875	1.5
107.08589	41.7
109.06532	3.6
109.10167	8.4
111.04422	1.8
117.07010	5.5
119.08581	19.0
121.06538	2.0
121.10141	30.5
123.04411	10.4
123.11751	4.6
124.01603	2.0
128.62743	1.5
131.08565	7.3
133.10129	16.7
135.11699	39.1
137.01202	1.9
137.05983	2.9
138.99861	1.9
139.03914	5.9
141.05440	11.9
143.08617	3.2
145.10114	7.5
147.04378	2.1
147.11708	11.8
149.13264	19.2
151.03960	2.5
151.07561	6.8
152.01106	2.1
153.01967	1.7
153.05469	62.8
157.10112	2.7
159.11717	7.2
161.13258	14.3
163.03886	1.6
163.14806	5.8
164.87581	1.7
167.03409	100.0
167.07068	6.2
169.04993	3.9
171.11768	2.6
173.13271	4.1
175.14850	13.7
177.05504	3.9
177.12830	2.0
179.03435	1.9
179.07069	17.4
181.08533	2.2
185.13289	3.4
187.14868	2.0
189.16383	2.0
193.05020	6.0
195.06531	11.7
199.14825	3.4
205.08630	4.7
207.10217	6.8
209.08089	3.1
213.16417	2.0
215.17975	13.8
217.19559	4.9
220.01314	1.7
221.11873	2.4
223.09761	3.3
231.17496	3.4
231.20978	4.0
241.19569	10.1
259.20569	53.6
265.14322	1.7
371.21994	2.2
381.24237	7.7
399.17191	2.8
399.25317	54.0
399.33066	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	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06354	1.1
53.03937	4.2
55.01877	2.5
55.05511	7.8
57.03431	1.4
57.07066	1.3
65.03934	2.4
67.05502	29.9
68.99789	5.8
69.07063	6.3
69.60683	5.7
69.61095	2.0
79.05495	30.8
81.03410	1.8
81.07059	27.6
83.04980	1.9
83.08617	3.8
91.05482	30.0
93.07044	45.0
95.04970	10.2
95.08611	19.5
97.06532	2.8
97.10170	1.4
98.20952	3.8
98.21508	1.4
103.05469	2.3
105.07034	32.3
107.04955	3.8
107.08598	26.9
109.06522	3.3
109.10174	7.7
110.80319	1.3
111.04425	2.1
115.05455	2.0
117.07010	8.1
119.04969	2.9
119.08571	15.0
121.06526	3.0
121.10146	20.4
123.04431	21.9
123.08095	1.5
123.11733	1.8
125.02396	1.2
125.06014	1.9
127.03919	3.2
129.07002	4.4
131.08571	13.6
133.06480	2.7
133.10139	26.4
133.11078	2.4
135.07956	1.6
135.11700	24.0
137.05945	10.4
137.13284	1.4
139.03896	10.3
139.11179	1.4
140.23077	1.2
141.05469	12.3
143.08554	4.3
145.10110	8.3
147.04431	3.2
147.08057	1.6
147.11679	12.8
149.13258	14.3
151.03954	3.3
151.07556	8.9
152.01057	1.4
153.01837	30.9
153.05469	100.0
157.10176	4.0
159.11694	16.1
161.06075	1.4
161.13263	8.4
163.03934	2.3
163.14859	3.8
165.05511	6.1
167.03403	67.4
167.07066	5.8
169.04980	9.0
171.11719	4.3
173.06059	1.3
173.13226	11.1
175.14871	6.9
177.05522	5.7
177.12807	2.5
179.07048	22.2
180.17044	1.3
181.04993	5.4
181.08640	1.3
185.13261	5.6
187.14943	1.4
191.03392	1.9
191.07063	1.8
195.06580	5.1
199.14899	3.5
207.10229	4.0
207.50566	1.3
209.08080	1.8
213.16475	3.5
215.17967	7.1
217.08638	2.2
217.19540	1.3
231.10333	1.9
231.17537	2.1
231.21049	1.6
233.08147	3.6
241.19484	10.1
255.51781	1.3
259.09766	1.9
259.20587	32.2
262.23703	1.5
381.20602	7.2
381.24481	2.9
399.25430	74.4
400.26071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05510	8.2
59.18620	1.3
65.03924	1.7
67.05177	1.8
67.05509	28.2
67.97448	1.4
69.07063	5.6
69.50127	9.8
79.05497	47.8
81.07067	33.7
83.04994	1.9
83.08618	3.2
87.70422	1.2
91.05487	20.9
93.07050	65.7
95.04964	5.4
95.08610	22.9
98.20821	2.5
98.21449	3.0
105.07040	19.3
107.07865	1.9
107.08603	37.6
109.06534	2.1
109.10165	6.5
111.48383	1.2
117.06989	2.0
119.08568	13.1
121.10148	29.3
123.04433	2.4
123.11733	2.3
125.02320	1.5
125.06013	2.5
129.06920	1.5
131.08560	5.9
133.10144	14.9
135.08015	1.7
135.11707	34.3
137.06007	2.4
141.05463	11.4
143.08508	2.3
145.10101	5.0
147.11696	9.7
149.13272	17.6
151.07538	3.0
153.05475	29.6
159.11690	6.4
161.05980	1.6
161.13310	7.4
163.14809	6.5
167.03415	100.0
167.07071	4.0
169.04959	5.5
171.11713	3.0
173.13283	4.0
175.14851	8.5
177.05470	2.2
179.07050	9.0
185.04587	1.6
185.13232	3.5
195.06541	5.4
199.14801	2.0
205.08582	2.5
207.10242	2.3
209.08034	2.1
215.17950	9.6
217.08640	1.6
217.19507	5.2
219.10316	1.6
223.09476	1.9
231.21071	1.7
241.19548	10.7
245.11740	1.8
259.20599	35.0
265.14456	2.0
299.97629	1.2
322.24554	1.3
366.94351	1.7
381.24164	5.4
399.20187	2.3
399.25302	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85944	2.0
53.03935	2.9
55.05504	6.6
56.44213	2.0
59.37663	2.2
65.11343	2.1
67.05511	29.0
69.07066	6.2
71.50816	2.2
79.05503	45.1
81.07062	37.1
83.04998	3.1
91.05483	18.6
93.07053	62.3
95.04932	5.1
95.08612	25.1
98.20937	13.0
98.21613	3.9
102.94585	2.4
105.07041	16.2
107.08601	41.7
109.06458	3.0
109.10164	6.6
117.07029	3.6
119.08589	12.7
121.09282	3.7
121.10139	35.2
125.05972	3.2
131.08574	6.8
133.10092	13.8
135.11713	33.8
137.05981	4.3
138.66458	2.2
141.05515	15.6
143.08543	2.9
145.10165	6.8
147.11665	10.4
149.13254	22.9
153.05479	34.0
157.10130	2.6
159.11697	7.4
161.13275	8.5
163.11153	2.4
163.14847	7.3
167.03418	100.0
167.07082	4.3
169.05025	4.2
171.11739	3.4
173.13329	2.6
175.14844	9.6
177.05403	2.8
179.07008	7.2
185.13176	3.2
195.06607	8.9
203.17873	2.2
207.10213	5.1
209.08089	4.8
215.17957	14.7
217.08582	3.4
217.19609	7.4
241.19518	11.4
259.20596	42.0
315.65497	2.3
381.24265	8.3
399.25317	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	399.2531
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.03938	4.9
55.05507	6.9
57.61577	1.7
62.75214	1.9
65.03951	4.9
67.05508	23.7
69.07075	5.5
69.80064	8.0
71.08642	2.5
75.43065	1.9
79.05495	39.2
81.07061	36.9
83.01350	9.8
83.04990	2.3
85.29685	1.6
91.05484	100.0
92.05812	30.2
93.06470	3.5
93.07053	70.3
95.04980	3.8
95.08617	24.6
97.06540	2.5
98.20907	3.7
98.21428	2.9
105.04491	1.9
105.07034	26.2
107.08598	37.8
108.08122	15.5
109.06522	8.5
109.08488	4.5
109.10147	9.1
111.04397	2.4
117.07052	4.6
119.08584	20.3
121.06499	4.0
121.10152	28.0
123.08076	5.7
123.11700	4.0
125.06001	3.1
127.07569	6.9
129.06993	3.9
131.08545	11.2
133.10153	19.7
135.08063	4.6
135.11684	30.6
139.07581	7.3
140.43228	1.9
141.05400	2.4
143.08620	5.8
145.10152	8.7
147.10606	2.7
147.11681	16.3
149.06055	3.4
149.09645	2.3
149.13263	13.1
151.07581	19.1
152.04662	2.4
153.05505	10.4
157.10138	5.4
159.08113	3.2
159.11728	5.8
161.09602	2.3
161.13289	3.0
163.07562	4.6
165.09077	7.3
167.03397	14.0
167.07047	10.0
168.07883	2.4
169.08615	63.6
171.11693	4.8
173.13297	3.2
175.14780	4.1
177.05560	2.6
177.09122	5.8
179.07108	2.8
181.08566	15.3
185.13257	2.8
187.14857	8.6
189.09131	4.5
189.12724	2.0
189.16388	18.6
191.07056	5.4
191.10716	2.7
193.08614	3.1
195.06541	42.1
199.14806	2.4
205.08656	5.1
207.10190	6.1
211.09654	3.1
213.07614	7.8
213.16374	14.0
219.10049	2.2
223.09645	18.7
231.17477	4.4
232.10915	2.2
233.11728	18.5
235.13252	4.4
245.11758	9.3
247.13351	13.9
256.22913	2.1
259.13284	8.5
259.20627	4.5
263.12808	3.8
292.23514	2.9
299.16440	2.1
301.23566	2.8
381.24231	78.4
382.28333	3.5
399.25299	57.7
399.30856	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	399.253
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.03929	3.0
53.80556	1.7
55.05501	7.1
64.24047	1.7
67.05511	31.1
69.03410	2.4
69.07069	3.1
70.00736	8.7
79.05499	42.7
81.03398	2.4
81.07060	32.0
83.08612	3.3
89.58106	1.8
91.05476	22.0
93.07051	63.0
95.04971	6.0
95.08604	22.0
97.06515	2.0
98.20997	4.9
101.44376	1.6
105.07034	15.8
107.08601	39.1
107.52823	1.8
109.06522	2.4
109.10164	6.6
117.07000	1.9
119.08566	14.9
121.10148	26.9
123.11700	1.8
125.06040	2.1
125.98226	1.7
131.08575	6.3
133.10146	13.1
135.11690	37.8
137.05989	3.6
141.05458	11.8
141.37933	1.8
143.08510	2.6
145.10104	7.7
147.11693	10.3
149.13261	21.7
151.07547	2.7
153.05466	35.3
154.59645	1.8
157.10056	2.5
159.11673	6.8
161.13329	9.5
163.14801	8.0
167.03404	100.0
167.07091	4.1
169.05054	3.4
169.21182	1.8
171.11699	1.9
173.13274	4.6
175.14810	10.2
177.12659	2.2
177.16397	2.2
179.07008	5.8
185.13358	3.2
193.08559	2.0
195.06546	7.0
199.14755	1.8
205.08614	2.8
209.08170	2.0
213.16211	2.5
215.17944	11.9
217.19531	6.7
219.10056	2.8
241.19534	13.0
256.43082	1.9
259.20581	42.1
294.06757	1.7
381.24271	6.1
399.25360	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01877	3.4
55.05510	10.0
57.07086	2.3
57.56781	1.4
62.01563	1.4
65.03940	3.3
67.05505	32.3
68.99780	2.2
69.03431	1.7
69.07072	6.8
69.58878	3.5
69.59283	7.7
73.86260	1.5
79.05492	39.0
81.07057	43.8
81.07516	2.8
83.01351	3.9
83.05025	3.5
83.08648	2.8
84.59146	1.3
91.05486	32.3
93.07041	55.8
95.04954	9.5
95.08605	25.8
95.09155	2.2
97.06525	4.2
98.20847	3.4
105.07030	37.3
107.08593	35.7
109.06545	4.6
109.10169	9.9
115.05488	2.7
117.07024	8.2
119.08596	17.8
121.06528	4.4
121.10149	32.1
123.04452	2.7
123.08105	2.7
123.11723	3.4
125.05984	2.0
127.03967	2.3
128.06247	2.1
129.07037	5.2
131.08586	15.7
133.06528	2.0
133.10127	29.6
135.08083	3.2
135.11700	30.4
137.06013	6.0
139.03934	4.8
141.04466	2.9
141.05463	13.9
143.08582	6.5
145.10132	9.9
147.08119	3.2
147.11702	12.4
149.09705	2.0
149.13257	22.0
151.03952	1.9
151.07591	6.1
153.01894	5.6
153.05467	46.8
155.07156	1.8
155.85950	1.5
157.10173	5.0
159.11690	14.8
161.06001	2.2
161.13260	11.8
163.07571	2.2
163.11310	1.8
163.14804	7.5
165.05487	2.8
165.09232	2.0
165.12798	1.7
167.03404	100.0
167.07123	4.5
169.05035	6.3
169.08603	3.7
171.11732	5.5
173.13194	7.1
175.14879	7.3
177.05551	5.4
179.03537	2.5
179.07063	9.4
181.05035	3.9
181.08627	2.9
181.10091	2.0
185.13252	3.1
187.14857	3.3
189.09178	2.0
189.16489	3.9
191.07086	3.4
191.17996	1.9
195.06606	8.2
199.14903	4.0
201.16565	1.7
203.07114	2.1
205.08614	4.3
207.10178	3.2
209.08167	2.5
211.15062	1.8
213.16467	2.2
215.17940	12.3
217.08678	2.9
217.19630	4.2
219.10197	2.2
221.11934	2.0
223.09764	3.5
231.10201	1.8
231.21220	3.5
233.11742	2.8
235.09579	1.7
241.19527	10.5
259.20584	32.1
267.10715	1.4
273.18530	2.2
277.21643	2.1
325.18204	1.5
381.20358	2.9
381.24442	15.7
399.21613	5.5
399.25504	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01876	3.1
55.05524	8.1
65.03927	2.1
67.05177	2.3
67.05509	29.6
68.06644	1.7
68.99802	4.1
69.07082	3.9
69.58183	9.5
79.05061	2.9
79.05499	42.6
81.03391	1.9
81.06639	2.6
81.07064	29.9
83.08624	2.6
91.05492	27.4
93.07050	63.6
95.04980	7.9
95.08611	22.6
97.10168	2.0
98.20926	5.1
100.40178	1.7
105.07045	18.5
107.08599	36.8
109.06536	2.0
109.10182	9.7
109.10812	1.8
117.07045	4.2
119.08590	19.6
121.10150	31.1
123.04414	10.9
124.01532	1.9
125.05952	2.0
129.07013	2.8
131.08546	9.1
133.10124	15.2
135.11710	34.5
137.05966	4.4
139.03928	4.6
141.05476	11.1
143.08594	3.0
145.10132	7.5
147.11673	11.2
149.13255	19.9
151.07539	4.4
152.01077	3.6
153.05473	59.8
159.11684	6.0
161.13266	15.7
163.14793	8.2
164.53557	1.5
167.03412	100.0
167.07053	5.3
169.04965	5.3
170.01968	2.4
171.11713	3.8
173.13229	5.2
175.14871	12.2
177.05391	3.5
179.07059	15.5
185.13261	4.0
193.15970	2.9
195.06502	7.6
199.14784	2.0
201.16505	2.0
205.08635	2.9
207.10092	4.1
209.08154	2.0
213.16331	2.3
215.17947	14.2
217.08589	2.4
217.19431	3.4
219.10176	1.7
221.11783	2.8
223.09679	2.9
231.21039	4.7
241.19469	11.9
251.13033	1.7
259.20590	47.5
381.24200	3.9
399.16125	6.6
399.25293	41.6
400.16559	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	399.2166
Annotation	Mutisicoumaranone C
Peak:m/z	Relative Intensity
50.30832	0.7
53.03945	1.1
54.69751	0.7
55.05507	2.6
56.81382	0.8
60.68819	0.8
67.01861	1.4
67.05503	6.1
68.99787	1.6
69.03452	0.8
69.07071	1.8
69.39185	4.4
69.39597	1.4
75.01579	0.8
79.05498	8.4
81.07054	7.4
83.08630	0.8
91.05489	10.2
93.07047	12.3
95.04985	1.1
95.08611	5.4
98.20866	1.8
98.21512	1.4
105.07036	11.3
107.08595	7.2
109.06538	0.8
109.10146	2.1
117.07015	2.5
119.08601	9.6
121.10157	5.0
123.04458	0.8
123.08099	0.9
127.03912	8.7
129.06990	2.7
131.08577	3.9
133.10138	10.8
135.11702	4.1
139.03926	3.0
141.05446	0.8
143.08614	2.2
145.10127	6.0
147.08006	0.9
147.11684	5.4
148.68404	0.8
149.13248	1.0
151.03955	1.0
153.01833	100.0
153.05455	3.3
154.02136	1.0
157.10152	2.9
159.11713	3.0
161.13263	2.2
167.03438	3.1
169.05009	1.0
171.11740	3.7
173.13152	0.9
177.05470	1.1
179.03435	1.3
185.13297	1.4
187.14836	1.4
189.16370	1.7
193.05009	0.8
203.18008	3.0
205.05003	3.4
213.16389	13.2
219.06796	0.8
227.17892	1.4
227.77115	1.0
229.19559	2.9
231.06624	1.7
231.17390	6.6
233.08162	1.2
237.16348	1.6
244.66724	0.9
247.09546	1.5
247.20755	1.1
255.17546	1.5
273.18521	2.7
348.97430	0.9
353.17615	0.9
363.19427	3.0
381.20609	32.3
382.20905	1.6
399.21530	3.1
399.25906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
53.63948	0.9
55.05504	4.2
62.58096	1.1
66.59882	0.8
67.01862	1.4
67.05508	8.3
68.99787	1.6
69.03424	1.4
69.07072	1.2
71.07019	1.4
79.05494	11.4
81.03370	1.0
81.07062	8.6
82.10341	1.0
83.08638	1.3
85.33337	0.8
91.05481	11.1
93.07048	13.9
95.04971	2.9
95.08595	8.8
105.07038	15.5
107.08611	10.1
109.10168	3.5
113.50103	1.0
117.07016	3.2
119.08579	9.3
121.10140	8.9
123.04440	2.8
127.03928	7.8
128.06282	1.1
129.07034	2.1
131.08578	5.5
133.09225	1.4
133.10143	15.0
135.08098	0.9
135.11710	7.2
137.05940	1.6
139.03888	3.4
141.05446	2.1
143.08531	2.6
145.10130	6.6
147.11665	7.0
149.13185	2.4
151.03951	1.9
153.01834	100.0
153.05447	10.2
154.02197	0.9
157.10149	3.6
159.11687	4.4
161.13312	2.5
167.03410	9.2
169.04941	2.9
171.11652	4.0
173.13258	2.3
175.14796	2.2
179.03381	2.0
179.06987	1.8
181.05022	3.0
185.13275	3.0
187.14803	1.1
189.16344	1.2
193.04935	1.0
195.06581	1.5
203.17978	2.1
205.04930	4.8
207.64554	1.0
211.14825	1.1
213.16385	13.4
215.17952	1.1
227.17946	1.3
229.19531	3.3
231.06453	2.0
231.17474	4.3
233.08115	2.8
237.16229	1.0
241.19502	1.5
247.20554	1.3
259.20599	3.3
273.18469	2.1
300.41635	1.0
363.19519	3.9
381.20569	32.4
389.68451	1.0
399.20477	5.2
399.25897	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	399.253
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
53.03944	3.4
55.01877	3.0
55.05502	9.8
59.82441	1.3
65.03946	2.5
67.05509	23.5
69.03417	2.1
69.07066	5.3
70.00072	5.6
79.05496	30.4
81.03413	1.8
81.07059	26.2
83.01352	4.1
83.04980	3.7
83.08611	2.0
91.05483	25.7
91.06013	2.3
91.90869	1.5
93.07047	42.1
95.04971	5.4
95.08613	18.8
97.06537	1.9
97.10213	2.4
98.21082	3.2
105.07035	40.6
107.04958	1.7
107.08601	26.1
109.04565	1.4
109.06547	3.2
109.10195	7.4
111.04407	1.6
111.08099	1.5
115.05483	1.5
117.07003	9.3
119.08569	11.4
121.10152	22.5
123.04388	1.9
123.08064	2.3
123.11697	1.3
125.02370	1.4
125.06027	4.3
129.06970	2.5
131.08592	11.0
133.06535	4.5
133.10130	38.2
135.11697	26.6
137.06010	10.7
139.03929	1.6
139.07605	1.5
139.11079	1.6
141.05457	14.6
143.08592	4.9
145.10156	6.4
147.11684	11.2
149.13257	18.4
151.07552	8.8
153.05473	59.0
155.07095	2.3
159.11693	19.8
161.06013	4.1
161.13280	5.2
163.11166	1.8
163.14833	3.3
165.05458	2.4
167.03410	100.0
167.07053	4.5
169.04985	13.2
169.08630	1.6
169.10126	1.4
171.11729	3.2
173.13268	13.2
175.07809	1.5
175.14828	4.1
177.05359	3.2
179.07030	11.9
181.05000	2.5
181.08440	1.5
185.13283	3.3
187.14902	1.8
191.03410	1.6
191.07103	1.8
193.08708	1.5
195.06551	4.6
199.14896	3.9
205.08656	2.4
207.10216	2.5
213.16403	1.5
215.17993	8.0
217.19420	2.2
219.10081	1.5
231.10213	1.7
231.21130	2.1
233.11763	1.6
241.19489	11.8
257.19138	2.4
259.20593	36.4
313.18417	1.6
357.20712	2.7
381.20135	1.8
381.24304	6.0
399.25388	88.6
400.25739	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	399.2167
Annotation	Mutisicoumaranone C
Peak:m/z	Relative Intensity
53.03937	9.4
53.04182	2.6
55.01864	8.9
55.05513	16.9
65.03925	4.8
67.05507	42.3
68.99793	5.8
69.03429	6.5
69.07063	6.8
69.48592	10.6
69.49012	9.0
71.05006	12.8
75.11874	2.6
79.05496	53.1
81.07059	43.8
83.04988	6.1
83.08632	7.0
85.06556	4.7
91.05483	69.0
93.07051	51.2
95.04974	72.1
95.08604	23.4
97.06534	5.1
97.10170	6.6
98.20858	5.3
98.21467	5.9
99.04456	10.9
103.05475	6.7
105.07032	52.3
107.04964	9.2
107.08595	28.8
108.04758	2.8
109.06521	12.1
109.10157	9.3
111.04393	4.3
115.05479	3.9
117.07026	41.3
119.08576	39.7
121.06509	21.4
121.10152	19.9
123.04414	6.7
123.08066	6.6
127.03914	29.3
128.06235	7.6
129.07007	21.7
131.08577	81.5
133.06526	16.7
133.10138	22.8
135.08063	17.4
135.11708	10.5
137.05963	6.6
139.03897	44.8
141.07014	4.7
142.07851	3.8
143.08571	41.1
145.06520	4.3
145.10115	39.2
147.08078	16.5
147.11670	10.8
149.05959	5.0
149.09645	7.1
149.13263	3.3
150.45262	2.8
151.03940	3.3
153.01842	100.0
153.05478	7.8
155.03444	5.7
155.07079	3.5
155.08545	6.0
157.10133	17.9
159.08105	3.8
159.11688	11.0
161.09657	7.8
161.13223	3.4
163.03889	5.1
163.11243	4.2
165.05492	12.4
167.07144	4.5
167.08589	3.1
169.10167	11.1
171.11644	13.6
173.13275	15.6
175.11177	6.5
175.14838	5.3
177.05487	8.0
179.07034	6.4
181.04996	10.2
181.10181	3.4
183.11723	7.2
185.13298	6.6
187.14815	7.9
189.12778	5.3
189.16301	3.4
191.07054	6.5
193.08559	5.5
195.06520	7.6
195.11694	8.1
197.13277	9.6
199.14804	9.0
203.06958	5.4
203.14362	3.3
203.17958	4.6
209.04529	5.2
211.60260	2.6
213.16373	11.5
215.07326	3.0
215.14302	7.9
217.15887	3.5
229.08621	4.0
231.17462	40.3
237.16359	9.0
243.10297	3.4
255.17441	11.0
273.18500	61.0
319.55356	2.6
323.16483	3.3
341.17444	9.0
357.20526	8.8
357.94717	3.1
363.19751	3.2
381.20584	23.2
399.16885	5.5
399.21707	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	399.2167
Annotation	Mutisicoumaranone C
Peak:m/z	Relative Intensity
50.71795	2.0
53.03939	8.1
54.22013	1.9
55.01864	9.0
55.05515	11.5
57.03421	3.2
65.03927	3.8
67.05505	36.9
69.03418	6.3
69.07054	7.0
71.04970	2.8
79.05059	3.7
79.05497	53.3
81.03403	7.3
81.07060	75.1
83.01348	29.3
83.04962	6.3
83.08633	2.3
91.05484	53.8
93.07041	36.6
93.23853	2.0
95.04984	25.2
95.08607	21.0
97.02881	2.7
97.06493	5.9
98.20954	12.6
101.81077	2.1
103.05452	3.8
105.04514	2.1
105.06375	3.5
105.07030	34.0
107.04935	8.8
107.08597	16.0
109.06512	15.6
109.10124	5.4
111.04417	4.3
111.08094	1.9
115.05447	6.2
117.07013	18.9
119.08583	25.5
121.06513	15.0
121.10131	9.4
123.04391	3.5
123.08064	7.0
125.06004	4.4
125.09662	1.8
128.06216	7.1
129.06996	19.2
130.07780	2.3
131.08583	25.9
133.06488	12.6
133.10141	17.5
135.04472	2.5
135.08038	12.6
135.11700	4.0
137.05956	7.1
137.09616	8.3
139.03847	3.5
139.07510	3.1
141.06975	4.7
142.07791	5.9
143.08578	20.0
145.06531	2.1
145.10121	14.3
146.07281	2.0
147.08026	14.5
147.11684	5.9
149.06023	2.5
149.09618	11.8
149.13304	1.9
151.03934	2.7
151.07524	5.9
153.01822	3.1
153.05499	13.4
153.06543	1.8
155.07039	18.5
155.08578	6.3
156.09319	2.2
157.10114	8.6
159.08063	6.6
159.11671	8.4
161.05966	2.6
161.09633	11.2
161.13242	2.0
161.54884	1.8
163.03908	2.3
163.07544	3.9
163.11122	3.7
165.05467	3.6
165.09108	4.8
167.03363	4.5
167.07060	26.9
167.08437	3.2
169.10109	5.1
171.08092	2.3
171.11719	6.1
173.09647	6.1
173.13268	4.1
175.07622	3.1
175.11189	3.8
177.05521	2.9
177.09125	5.7
179.03406	5.2
179.07011	2.4
181.04970	100.0
181.08549	3.8
181.10049	4.2
183.08229	2.3
183.11671	5.4
185.09630	5.4
185.13286	13.8
187.11182	7.2
189.09116	5.5
191.07060	18.3
193.08591	8.5
195.11740	3.8
199.11195	5.5
199.14839	5.5
201.09103	4.9
201.12727	2.9
203.10666	2.4
203.14345	3.9
205.04968	2.5
205.08598	5.7
207.06601	4.6
207.10039	2.5
207.11862	2.3
209.08051	4.3
209.13345	3.6
210.06845	2.3
215.10641	2.7
217.08690	2.5
217.12233	2.4
219.10185	5.1
227.10716	3.6
227.14310	6.2
229.08665	2.5
231.10201	2.5
233.11552	4.0
241.12138	2.5
245.15392	8.3
269.11591	2.6
345.18527	2.4
353.20956	4.2
363.19482	9.2
381.20468	14.8
399.21637	56.4
400.21591	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	399.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.05508	15.9
57.03437	4.9
59.05003	5.0
61.02908	3.8
69.03424	9.1
69.60867	13.8
69.73823	2.0
71.04987	3.4
71.56876	1.8
73.06557	100.0
81.03419	3.3
83.04990	23.3
85.02909	28.4
85.06525	2.3
87.04472	3.4
91.07568	2.3
97.02890	14.6
98.21172	8.3
99.04493	2.2
101.06023	47.4
105.06993	2.2
109.02889	4.7
119.07058	13.0
121.76847	2.7
127.03949	15.9
129.05498	3.2
145.04958	9.4
219.06404	2.7
350.98355	2.1
382.93271	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2014
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03934	2.2
55.01844	1.9
55.05496	3.4
57.03424	2.2
61.02928	4.1
65.03925	1.1
67.05486	3.7
69.03429	14.7
69.07053	3.5
71.04978	3.2
71.57788	1.5
73.02905	2.3
79.05489	5.5
81.03391	3.7
81.07053	17.2
83.01344	1.5
83.04964	2.8
83.81968	1.0
84.87027	1.0
85.02426	1.5
85.02901	22.3
85.06525	1.5
87.04455	2.6
91.05488	5.5
93.07043	9.1
95.04958	3.1
95.08607	8.8
97.02892	8.7
97.06518	2.2
99.04427	2.9
99.08094	2.3
101.05996	1.4
105.07037	8.5
107.04947	3.3
107.08586	11.4
109.02859	3.2
109.06539	4.3
109.10152	9.5
111.08072	1.8
117.06986	1.1
119.08585	8.1
121.06480	2.5
121.10132	5.2
123.04369	1.1
123.08048	2.4
123.11708	6.8
125.05976	2.9
125.09612	2.9
127.03880	4.8
127.07543	2.4
128.06258	1.0
129.05460	1.2
129.06967	1.6
131.08554	4.9
133.10123	4.3
135.08023	2.8
135.11676	3.4
136.06171	1.0
137.05974	3.1
137.09613	3.9
139.07585	0.9
143.08537	2.4
145.10095	3.4
147.08029	1.2
147.11687	7.2
149.05991	1.1
149.09579	3.0
149.13231	2.4
151.07486	3.9
151.11168	1.6
153.05397	1.3
157.10136	1.4
159.11705	5.3
161.09608	3.8
161.13313	2.2
163.07571	1.0
163.11252	1.1
165.09125	1.2
167.07045	6.5
173.13232	3.1
175.07423	1.4
175.11168	1.4
177.12720	3.9
179.10620	2.1
179.14305	5.3
181.04904	3.0
187.11250	1.3
189.12766	2.6
191.14281	4.0
197.09514	1.1
201.12712	2.4
201.16428	1.3
203.14534	0.9
207.13773	16.0
218.07196	1.0
219.13818	7.0
219.17293	4.3
237.14850	100.0
237.18643	3.3
238.15179	3.2
243.13916	1.0
245.08025	2.1
249.08916	1.0
307.09479	1.7
321.11194	1.6
337.10532	1.2
339.12225	1.0
367.11661	1.2
399.14487	7.3
399.20038	55.6
400.20624	2.3
406.87253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2165
Annotation	Mutisicoumaranone C
Peak:m/z	Relative Intensity
50.16782	1.8
53.03938	3.4
55.01878	12.9
55.05501	2.7
56.96576	2.3
65.03959	2.7
67.05503	20.4
69.03419	4.4
69.07053	5.4
70.47306	4.0
71.04971	5.1
79.05110	2.8
79.05499	27.2
81.03406	3.9
81.07053	20.2
83.04979	5.1
85.02874	2.3
91.05483	47.6
93.07059	33.1
95.04971	81.4
95.08628	10.1
97.06528	4.8
98.21236	3.8
99.08059	3.2
103.05478	5.9
105.07033	32.4
107.04991	5.4
107.08611	10.5
109.06513	8.8
109.10164	2.8
111.04432	4.1
115.05434	8.4
117.07018	27.0
119.08580	19.7
121.06501	38.8
121.10123	5.9
123.08028	3.8
125.79605	2.1
128.06206	6.5
129.07008	21.4
130.07820	2.4
131.08586	23.3
133.06487	32.2
133.10130	10.7
135.04419	4.7
135.08063	22.5
135.11673	8.9
137.05986	9.4
137.09569	3.4
139.07512	2.3
141.06975	7.5
142.07758	2.5
143.08569	24.0
145.06454	8.3
145.10100	28.1
146.85779	2.1
147.08043	25.1
147.11647	4.4
149.09615	6.3
151.07492	4.5
153.01813	2.3
153.05461	9.3
153.06897	2.0
154.07755	3.1
155.07042	41.1
155.08444	4.5
157.10110	10.2
159.11726	11.9
161.09642	12.8
161.13307	2.3
163.11172	11.0
165.09138	2.2
167.07060	29.3
167.08418	4.8
168.09421	2.0
169.10149	9.4
171.07996	2.6
171.11635	3.9
173.13326	2.9
175.07568	3.0
181.03363	5.0
181.04971	100.0
182.05362	2.4
183.11682	6.0
185.09668	2.9
185.13254	23.3
187.11205	17.5
191.07022	4.8
193.08626	4.1
199.11041	2.8
199.14799	7.9
201.12662	2.7
203.10423	2.2
203.14345	20.9
205.08614	9.7
209.08112	3.0
209.13210	8.0
217.08589	2.2
217.15833	5.3
227.14259	17.2
229.08594	6.1
231.10164	3.7
233.11559	3.6
243.10114	2.2
244.10971	5.2
245.11514	2.6
245.15373	29.4
261.51743	2.0
285.10077	5.6
286.10397	2.8
299.16470	2.0
323.16278	2.9
381.20395	5.4
384.17419	2.1
399.21729	24.7
400.21887	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.6
55.05514	15.5
57.03443	10.0
57.07082	5.6
59.05008	5.6
67.01504	3.6
69.03429	29.1
70.06584	6.1
71.56232	4.3
73.02940	4.0
73.06561	96.0
73.06969	5.9
75.29274	4.0
79.05517	13.0
81.03406	22.1
81.07071	6.2
83.04993	17.9
85.02909	73.9
85.06567	3.9
91.05481	34.0
93.07079	12.7
95.05013	6.1
95.08638	5.1
97.02879	19.9
97.06564	6.9
99.04483	4.5
101.06049	9.7
103.03946	9.7
103.05513	4.3
105.07076	20.4
105.07681	3.3
107.04946	6.7
107.08630	6.4
109.02927	6.7
109.06543	5.2
109.10206	3.9
111.04443	6.0
111.08141	4.3
113.02401	5.6
115.05458	8.6
117.07014	8.9
119.04940	20.8
119.08575	6.5
121.06543	7.7
121.10158	6.5
123.04424	10.3
125.06001	7.7
127.03951	13.4
128.04340	4.6
128.06247	5.1
129.05539	4.0
129.07030	16.4
131.04945	10.3
133.06526	11.3
135.08102	6.5
137.05992	60.5
143.04990	7.3
143.08618	7.8
145.06500	14.1
145.10120	5.3
147.04399	26.1
147.07967	4.5
149.06027	16.7
151.07495	19.7
153.01820	7.9
153.07043	5.6
157.06535	12.0
159.08051	5.2
160.05196	4.4
161.05978	29.5
163.03955	7.2
163.07581	8.9
165.05489	100.0
167.07089	8.4
171.08087	6.8
173.05963	8.1
175.07513	20.1
179.07057	24.0
181.05045	7.0
181.06532	7.3
185.05908	4.5
185.08180	4.7
187.07611	5.2
189.05515	12.9
191.06993	23.4
195.06677	10.5
199.07584	11.8
201.12914	5.1
203.07088	33.4
203.09172	19.4
205.08624	11.1
213.12628	4.8
215.07014	5.8
217.08688	14.0
219.06595	13.4
221.08102	26.3
227.07039	8.4
231.08340	5.2
233.08186	11.8
237.07509	5.9
245.08109	42.5
263.09262	34.3
281.10388	8.5
303.01425	6.5
355.04453	5.8
399.07227	14.7
399.15302	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19981	1.8
53.03941	2.3
55.05503	12.4
55.47017	1.7
57.03418	2.2
57.07056	2.2
59.04997	8.5
61.02915	2.9
63.33528	1.6
69.03430	16.5
69.07069	2.4
69.47286	10.3
69.47706	4.3
71.04972	2.4
73.06557	100.0
81.03429	9.9
83.04972	17.0
85.02423	2.3
85.02901	29.9
91.07624	2.7
95.08596	1.9
97.02890	34.2
97.83130	1.9
98.20890	5.3
99.04446	3.2
101.06008	23.7
106.02874	4.1
107.08604	2.0
108.04474	2.6
109.02883	9.5
119.07047	19.5
123.04464	2.3
124.03946	5.4
127.03927	22.9
137.09584	2.1
145.04990	16.8
147.04445	2.8
173.66068	1.8
227.09175	1.8
245.07950	3.8
245.10225	3.7
257.00882	1.9
263.11267	4.6
268.08133	5.4
312.99808	2.1
355.04721	2.7
399.02936	3.0
399.07614	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.1
55.05503	2.5
57.03437	22.3
57.81731	2.1
61.02924	16.7
64.63303	2.1
69.03069	3.1
69.03429	37.7
69.07069	23.0
69.57782	9.2
69.58199	6.4
70.06590	2.3
71.01345	4.6
71.04997	2.7
73.02917	100.0
73.06558	6.3
81.03405	7.3
81.07052	5.5
81.81204	2.1
83.04981	3.3
85.02908	92.9
85.06515	3.2
87.04450	4.6
91.03930	2.9
93.07051	4.4
95.08636	2.4
97.02891	60.9
97.06502	2.4
98.20994	7.9
99.04462	5.6
99.08076	4.3
103.03938	2.9
109.02895	10.7
109.06487	2.9
111.08073	6.6
114.68961	2.3
115.03934	31.2
117.05505	2.5
123.04426	4.1
124.55037	2.0
126.64713	2.1
126.86368	2.1
127.03929	34.7
131.08582	2.4
133.04980	42.1
145.04962	52.8
147.04527	2.5
150.07655	2.5
161.05986	2.6
163.06007	28.1
165.09143	4.1
167.07047	14.6
176.00601	2.2
181.67909	2.4
183.10162	6.4
195.10097	4.9
199.05962	2.6
201.11276	4.5
213.11197	5.4
223.06099	5.1
235.47945	2.6
241.07112	5.7
259.08115	10.3
266.88898	2.3
289.60144	2.1
302.97977	2.2
364.03952	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05515	10.9
55.73898	0.8
57.03442	2.6
61.02925	2.0
65.32279	0.6
69.03431	11.4
70.06593	1.5
70.88505	2.3
71.04992	1.5
73.06560	100.0
75.65749	0.8
81.03425	5.8
83.04980	10.5
85.02907	30.4
91.07609	2.4
97.02901	32.5
99.04472	2.7
101.06023	15.8
103.03974	0.7
106.02917	2.0
108.04469	0.9
109.02890	8.5
119.07071	17.9
119.07871	1.4
122.79509	0.7
123.04454	0.9
124.03963	2.6
127.03918	22.7
137.08087	1.0
137.09616	1.3
145.04965	19.0
163.06079	3.1
188.39742	0.8
199.09654	7.6
218.46429	0.8
227.09209	1.1
235.11787	1.6
241.78976	0.8
245.10266	9.7
247.11880	0.9
263.11288	5.2
268.08444	1.5
269.06531	0.9
377.88547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1287
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
53.03963	1.8
55.01863	3.7
55.05524	1.2
57.03438	2.1
57.07079	3.0
59.04996	6.0
67.05479	1.5
68.99786	2.1
69.03436	10.4
70.06583	2.5
70.07144	6.1
77.11028	1.2
79.01847	2.8
79.05491	2.2
81.03422	10.3
83.05014	2.7
83.93660	1.1
84.75209	1.2
85.02910	22.4
85.06560	1.5
85.14806	1.4
91.05483	4.9
93.07082	2.0
95.04977	2.0
97.02902	7.3
97.06517	1.6
98.21321	2.9
99.04450	2.4
101.05996	1.5
101.77245	1.3
103.05463	4.6
105.07011	2.5
106.02921	2.4
107.01285	1.6
107.04933	2.4
109.02873	5.7
111.04458	2.7
115.05459	5.7
117.07034	7.2
118.03240	4.3
119.04903	1.4
119.08597	4.5
123.04460	6.9
124.03956	3.4
125.02351	4.1
125.05981	1.7
127.03899	5.0
128.06277	1.6
129.05537	1.6
129.07005	4.7
131.04962	4.3
133.02847	4.8
133.06511	1.8
135.04442	6.5
137.05992	1.5
139.03911	9.0
143.03410	2.3
145.06494	63.2
147.04503	3.1
147.05771	2.2
147.08064	5.7
152.96747	1.3
153.01828	34.3
153.02808	1.6
155.04898	1.7
155.06107	2.9
157.06491	3.2
159.04453	5.0
161.05942	1.4
163.07436	1.8
165.01848	2.0
167.03391	1.9
167.07071	3.2
171.02844	1.4
173.05995	73.3
174.06509	2.2
175.07587	7.2
177.05481	12.7
179.03403	34.0
179.06914	2.4
180.99864	3.7
181.01305	26.1
183.02946	2.2
183.06531	3.5
184.00981	1.2
189.05431	2.5
191.03365	1.4
191.07034	24.6
193.04976	1.4
193.08620	18.7
195.02936	1.6
198.82663	1.6
201.05513	16.4
201.07405	2.6
205.04991	2.8
207.06575	1.8
209.08131	5.1
215.80870	1.4
219.06541	100.0
220.06976	2.1
231.06531	2.3
237.07576	43.1
243.06416	2.7
248.09305	3.1
249.07518	2.7
269.06293	9.5
285.07629	3.1
297.07544	1.9
303.08597	1.6
312.99637	1.8
315.08499	4.3
317.06631	1.7
327.08533	1.8
345.09738	3.7
355.04501	3.6
363.10693	3.6
381.11838	15.6
399.03314	4.2
399.12784	3.6
420.34024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34155	1.3
52.11584	1.3
53.03944	9.8
57.03432	4.8
57.67919	1.6
59.05005	84.1
61.02930	7.8
67.42655	1.3
69.03432	30.5
70.06594	1.7
70.31445	1.2
70.82575	2.7
71.05006	7.4
72.26453	1.2
73.02917	2.0
73.06552	4.2
77.06042	5.8
81.03423	22.4
83.04980	1.7
85.02911	69.7
87.04462	15.6
91.03949	2.2
97.02899	100.0
98.20992	2.9
99.04455	6.6
101.06000	1.8
105.05515	36.9
109.02888	23.7
115.03965	2.0
127.03921	76.3
133.04962	6.5
143.34456	1.3
145.04967	60.3
163.06071	6.8
185.08139	12.0
190.12383	1.6
213.07463	2.7
221.10190	6.2
231.08644	47.6
249.09726	15.0
311.24966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55273	2.5
57.03428	9.1
61.17195	2.8
66.48137	2.6
69.03432	21.5
69.07059	9.2
71.57123	3.2
73.02924	24.1
73.06551	2.9
81.03425	5.4
82.49771	2.6
85.02912	30.7
87.04462	8.2
89.28686	2.7
97.02894	32.6
107.04949	4.1
109.02870	5.1
115.03950	15.0
123.04457	5.8
127.03903	12.0
133.04964	17.3
145.04977	21.8
147.04366	4.2
163.06041	8.7
167.07050	100.0
201.11232	4.0
241.07014	4.0
311.05417	2.8
345.13266	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	398.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24404	1.5
53.03936	2.0
55.05505	7.0
56.05040	10.8
57.03428	4.1
57.13451	1.5
58.06595	2.2
59.04998	3.2
63.36215	1.5
65.91463	1.5
69.03438	12.0
69.04555	2.5
69.07063	1.9
70.01807	5.9
70.03732	1.8
70.06593	20.2
71.05006	2.9
72.08160	50.7
73.06563	11.0
74.06087	11.8
79.05496	1.7
81.03410	3.0
83.04958	3.7
84.04514	1.8
84.08153	2.0
85.02904	12.9
85.04036	11.8
86.09673	2.3
87.04478	2.5
88.07624	5.4
91.05492	11.4
97.02913	8.6
98.02415	1.9
98.06048	4.4
98.20900	3.4
98.21459	1.9
98.97569	4.6
99.04422	1.9
102.05550	10.4
103.05467	20.1
105.03420	3.9
105.05471	1.7
109.02866	4.0
114.05608	1.6
115.07588	1.8
116.98648	2.1
118.06549	17.4
119.04955	3.3
120.06594	11.2
120.08112	100.0
121.08498	1.8
122.00772	1.6
125.01028	1.6
125.07103	2.0
127.03965	8.5
127.08662	3.7
130.05009	2.4
130.06541	8.5
130.07376	1.5
131.04930	31.7
132.08093	7.0
136.07562	4.4
138.05486	3.9
145.04939	4.3
145.07603	5.8
146.04475	1.6
146.04887	2.0
146.06030	21.8
147.09135	8.8
148.07570	3.6
150.07637	2.9
153.01848	16.8
155.08200	7.4
157.06201	2.0
157.07603	1.9
158.05997	2.2
159.07681	5.0
172.11212	7.8
173.09236	3.1
174.12727	2.3
175.08705	3.0
177.10233	13.2
185.05598	2.0
188.10725	4.3
198.09213	3.5
200.10857	2.3
203.08182	13.9
215.11816	4.8
217.08221	6.9
218.11740	1.9
220.09734	2.4
221.09225	30.6
227.06792	5.5
233.12880	8.2
237.02734	2.5
238.10741	3.9
239.03963	1.7
243.11334	3.8
247.10788	13.2
250.04315	1.6
251.13855	3.3
256.13089	3.1
261.12332	9.2
265.09079	1.5
265.11743	9.9
273.08740	2.6
274.14026	8.2
279.13333	2.2
283.12888	5.5
293.11316	2.9
304.12982	3.4
305.11353	6.6
322.13931	6.4
344.16080	3.2
362.17157	10.1
372.23123	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.01862	2.2
55.05512	20.1
57.07080	5.2
65.03947	4.1
67.05506	30.5
69.07069	14.1
69.31767	5.2
69.32185	14.0
71.04989	2.0
71.08649	1.9
79.05495	33.0
81.07063	60.2
83.05032	1.9
83.08628	7.8
85.06534	2.7
91.05482	52.8
93.07045	54.1
95.04973	10.3
95.08612	59.4
97.10170	6.1
98.20837	6.7
98.21528	4.6
103.05490	2.5
105.07035	76.5
107.04958	4.2
107.08599	52.7
109.06530	2.4
109.10159	20.2
111.04470	2.8
115.05473	3.4
117.07035	16.1
119.04962	2.6
119.08589	67.8
121.06494	4.4
121.10139	30.4
122.51607	2.5
123.04455	11.0
123.11715	7.7
128.06238	2.9
129.07001	6.1
130.07768	2.5
131.08572	31.9
133.10133	41.2
135.11705	16.6
137.05975	8.5
137.13280	2.6
139.03954	6.0
139.07544	1.9
141.05449	17.2
143.08556	9.1
145.10135	36.5
147.11696	37.2
149.13261	100.0
149.50009	2.0
151.07579	2.5
153.01869	4.2
153.05489	46.1
153.09109	3.3
155.07050	44.3
155.08337	2.6
157.10150	9.5
159.07964	2.2
159.11685	27.4
161.13264	70.1
163.14824	37.7
165.05504	3.7
167.03409	53.2
167.07094	9.2
169.04974	4.1
169.10107	2.3
171.11731	7.0
173.13254	12.4
175.14825	22.6
177.05435	3.7
177.16409	8.1
179.07066	10.1
181.04956	17.1
181.08719	3.1
181.10260	2.1
184.18497	2.0
185.13205	4.8
187.14812	6.3
189.16370	25.7
191.07050	4.0
191.17979	4.9
193.08672	4.8
195.06526	5.9
197.13359	3.9
197.19101	4.9
201.16365	13.9
203.17978	22.2
205.08569	4.3
205.19504	3.8
207.17448	4.3
213.16415	8.9
215.17943	14.9
227.17987	5.5
229.15906	2.9
229.19524	6.2
231.10257	2.7
239.17970	6.1
247.16971	10.6
249.18558	3.8
255.21054	9.2
257.19022	24.8
258.19318	2.6
261.18436	2.8
273.18466	3.1
281.22705	2.6
287.20108	4.3
289.21304	2.2
307.47058	2.2
320.92734	1.9
351.30472	18.1
361.23740	3.2
379.22702	5.3
397.23758	47.5
397.30994	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	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.9
57.07072	15.3
59.59871	1.4
60.60438	1.3
67.05505	27.2
69.07070	26.8
71.08638	17.0
71.19281	2.0
71.19618	2.0
79.05498	14.9
81.07061	50.6
83.08621	17.2
85.10182	9.6
91.05479	15.8
93.07045	25.7
94.07387	1.3
95.08609	49.3
97.10162	11.2
98.21265	1.8
105.07031	26.7
107.08603	22.5
109.10158	39.3
111.11727	9.2
117.07036	1.7
119.08578	25.4
121.10156	14.2
123.11705	12.0
125.13278	4.7
131.08582	2.9
133.10123	18.8
135.11688	35.2
136.97171	1.7
137.13257	5.4
142.71957	1.6
145.10130	5.2
147.11684	63.2
149.13246	19.4
151.14862	2.5
159.11731	7.1
161.13274	44.5
163.14780	9.0
165.16379	3.0
173.13333	4.0
175.14832	14.8
177.16327	2.9
179.18028	1.7
187.14807	4.2
189.16386	10.1
201.16306	7.1
203.17926	8.5
214.43477	1.4
215.17941	10.1
217.19537	4.6
221.22752	2.2
229.19513	6.5
233.22659	1.5
243.21051	9.1
247.24379	1.8
257.22607	7.0
261.25821	5.0
275.27246	2.8
285.25739	2.8
287.27365	5.1
299.27347	1.7
301.28900	3.5
315.30383	4.5
341.32141	1.7
351.63901	1.4
397.38303	100.0
398.38782	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	397.2585
Annotation	Australin A
Peak:m/z	Relative Intensity
53.03941	1.3
55.01871	2.1
55.05518	11.5
57.07082	6.5
57.07299	1.3
67.05171	1.7
67.05508	27.2
69.03460	1.5
69.07063	11.0
69.73054	4.7
69.73479	3.2
71.05000	7.9
71.08627	5.1
79.05481	7.1
81.07063	35.2
83.01323	2.4
83.08621	8.9
85.06535	2.4
85.10197	1.6
91.05499	6.5
93.07051	5.8
93.57554	1.5
95.04981	2.0
95.08613	35.4
97.06565	2.5
97.10175	9.2
98.21252	3.0
99.04443	1.5
105.07043	5.1
107.08590	4.3
109.06517	5.0
109.10164	21.7
117.07043	1.6
119.08577	4.3
121.06494	1.7
121.10119	3.1
123.08067	1.4
123.11712	12.9
133.10132	6.7
137.05980	15.6
137.09648	3.5
137.13239	1.5
139.03920	1.8
143.08650	1.4
147.11757	2.6
153.01814	3.1
153.05438	1.6
155.07036	100.0
161.13258	2.9
165.16449	2.2
165.78979	1.4
167.07062	13.8
177.09019	1.8
179.17981	6.4
181.03355	3.0
181.04967	63.4
189.16409	15.7
191.06989	5.4
193.08586	2.3
197.18980	14.2
205.08678	3.4
207.17462	11.0
209.07993	1.4
221.11703	1.3
225.18456	7.3
237.11227	2.4
243.19572	1.7
343.22809	2.5
361.23712	9.8
379.24802	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	397.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01878	2.9
55.05517	14.3
57.07074	6.5
59.58743	1.6
65.03944	1.6
67.05504	35.9
69.03432	3.3
69.07059	14.7
71.04977	6.8
71.08630	5.2
79.05491	22.4
81.07059	53.6
83.01334	3.8
83.04969	3.9
83.08632	8.9
85.10160	2.0
91.05484	30.7
93.07053	17.5
95.04977	3.7
95.08038	3.5
95.08611	43.9
97.10178	9.9
98.21022	2.2
103.05445	2.3
105.07030	32.9
107.08606	16.8
109.06529	6.3
109.10159	24.5
115.05500	1.9
116.06184	1.7
116.45126	1.8
117.06992	8.4
119.08589	23.9
121.10157	7.8
123.08087	2.7
123.11732	12.1
129.07037	2.5
131.08577	16.1
133.10123	20.3
135.11690	5.6
136.52162	1.9
137.05963	19.9
137.09601	3.3
137.13298	2.2
139.03886	2.5
141.05482	8.2
141.07002	2.2
142.07704	1.7
143.08434	4.2
145.10106	11.7
147.11717	9.2
149.13258	10.9
151.07567	2.9
151.11110	1.9
153.01852	3.5
153.05461	16.8
155.07037	100.0
157.10165	4.0
158.11073	2.0
159.11734	9.0
161.13324	10.2
163.14851	4.4
167.02110	3.1
167.03409	30.6
167.07027	8.5
169.08583	2.6
171.11650	2.6
173.13210	5.1
175.07535	2.1
175.14850	4.7
176.93929	1.7
177.05505	2.4
177.09151	2.0
179.03397	2.7
179.07048	5.9
179.17957	9.0
181.04964	30.9
183.11642	1.7
185.13333	2.1
189.16405	20.3
191.07033	6.8
193.05031	4.3
193.08597	4.8
195.06548	6.0
197.19020	12.1
201.16362	2.4
205.04994	3.3
205.08601	4.3
207.06505	3.9
207.17491	18.3
215.17940	3.9
217.08653	3.6
225.18542	6.1
231.10152	2.5
239.17995	2.2
257.18961	12.0
312.32578	1.8
341.17337	2.6
379.22794	4.9
397.23996	30.4
397.30737	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	397.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01892	2.1
55.05515	13.1
56.96588	4.0
63.11022	1.9
64.81914	1.9
65.03951	4.5
66.72024	2.0
67.05511	35.6
69.03447	5.4
69.07076	7.7
69.58790	15.0
71.05028	2.6
79.05498	35.6
81.03403	2.6
81.07067	34.6
83.01346	8.0
83.04998	5.0
83.08610	3.7
85.02916	2.8
91.05489	58.0
93.07046	34.6
95.04979	9.0
95.08604	20.6
97.02932	3.1
98.21058	8.9
98.21635	2.1
103.05489	4.0
105.07039	78.5
107.04973	3.7
107.08596	18.4
109.10181	10.2
111.08155	2.4
114.20302	2.1
115.05487	2.2
117.07037	22.1
117.80141	2.0
119.08591	40.8
121.06525	3.6
121.10166	10.2
123.04459	4.9
123.08092	4.6
125.06021	4.0
127.03965	6.6
129.07037	10.0
131.08566	44.6
132.08914	2.6
133.06525	2.9
133.10143	30.0
135.08160	4.2
135.11746	6.0
137.06000	4.7
139.03880	3.1
141.05489	22.3
141.06993	4.1
143.08583	13.5
143.44211	1.8
145.10139	40.0
147.08084	4.1
147.11681	20.5
149.09566	2.1
149.13208	2.1
151.03909	3.9
151.07643	3.4
153.01839	40.5
153.05464	40.2
155.07109	2.0
155.08586	7.0
157.10153	9.1
159.11705	16.1
161.06003	3.5
161.09502	2.4
161.13303	6.9
163.07663	2.8
163.50159	1.9
165.05539	5.4
167.03415	100.0
167.07106	12.4
168.76784	2.6
169.04977	6.4
169.10127	4.8
171.11726	7.9
173.13235	10.2
175.07652	2.5
175.11139	2.5
175.14813	4.4
177.05484	6.4
179.03444	3.3
179.07071	11.5
181.05000	4.2
183.11722	4.6
185.13376	5.1
187.14909	7.7
191.07156	3.1
193.05034	6.1
193.08638	4.0
195.06500	10.1
197.13275	4.1
201.16469	6.4
203.07079	3.1
205.05025	6.0
205.08672	4.8
207.06583	5.7
207.10301	3.8
209.08185	2.8
211.14912	8.0
213.16487	4.9
215.17915	10.0
217.08765	2.5
219.06688	2.2
219.10272	4.0
227.15079	2.4
229.15961	4.0
229.19682	2.8
231.06662	3.2
231.10211	5.2
239.17924	10.3
257.19009	28.6
267.09055	5.7
283.08392	4.0
285.10178	11.9
286.10651	2.7
317.17590	2.2
347.15094	3.2
365.16452	3.5
379.19043	9.4
379.23019	8.8
397.23907	73.7
398.24191	5.3
409.16077	2.1
412.76233	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	397.2585
Annotation	Australin A
Peak:m/z	Relative Intensity
51.53671	1.6
52.61262	1.8
53.03940	2.5
55.01855	1.6
55.05515	15.1
57.07063	5.5
64.73853	1.6
65.03925	3.1
67.05509	34.7
68.99783	1.9
69.07074	13.3
69.68577	4.8
69.68996	6.1
71.04990	4.7
71.08625	3.5
79.05499	17.0
80.61901	1.5
81.07064	44.0
83.01337	2.6
83.08611	9.3
85.06521	3.6
85.10161	3.1
91.05484	56.2
92.05842	10.3
93.07047	27.9
95.04966	10.1
95.08607	50.7
97.06534	1.8
97.10176	7.4
98.21276	6.2
103.05486	1.8
105.07038	41.1
106.06541	3.4
107.04994	1.9
107.07949	2.5
107.08604	26.6
108.08108	4.7
109.06548	9.8
109.08430	2.4
109.10149	22.1
117.06995	7.3
119.08588	28.7
121.10136	14.1
123.04454	13.3
123.11714	10.2
125.09635	1.7
129.07045	4.9
131.08577	17.5
133.10139	20.3
135.08096	2.7
135.11650	8.3
137.05978	6.6
137.09598	2.7
137.13229	2.8
139.03900	3.6
141.05421	10.2
143.08548	5.4
145.10129	13.7
146.10472	2.0
147.11719	18.0
149.13264	34.2
151.07597	2.9
153.01778	2.3
153.05481	27.8
153.09065	2.2
155.07039	100.0
157.10110	5.0
159.11676	10.4
161.05927	1.8
161.13281	28.3
162.34227	1.7
163.07570	1.8
163.14842	14.8
165.09076	2.5
165.12761	6.6
166.13101	3.5
167.03410	29.3
167.07069	13.6
169.10152	2.9
171.11696	5.2
173.13306	8.6
175.14828	8.7
177.09152	2.7
177.16408	3.2
179.07071	7.8
179.17955	4.1
181.04965	45.0
181.08621	2.1
183.11630	2.1
185.13182	2.4
187.14691	2.4
189.16438	20.4
191.07021	4.5
191.17953	2.7
193.08575	3.3
195.06548	3.5
197.19017	8.7
201.16373	4.8
203.18016	9.1
205.08641	1.9
205.19473	2.1
205.55482	1.8
205.57545	1.8
207.10104	1.8
207.17459	5.7
212.67677	1.8
213.16454	3.4
215.17961	6.3
225.18407	3.8
227.17947	2.4
229.19521	3.6
237.11288	2.8
239.17874	2.1
247.16884	3.4
249.18546	2.4
255.21045	3.7
257.18985	14.5
268.70172	1.9
330.62787	1.8
351.30435	10.7
361.23636	3.1
397.23981	28.5
397.30920	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	397.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01876	1.7
55.05304	1.2
55.05515	14.3
56.96551	1.2
57.03439	10.1
59.04995	2.0
61.02923	1.9
69.03430	55.5
70.06584	1.4
71.01361	2.0
71.04991	5.4
72.08149	2.9
73.02900	2.9
73.06557	100.0
81.03414	14.2
83.04982	11.9
85.02908	25.7
86.09710	1.6
87.04482	5.6
89.06033	1.3
91.05492	2.0
97.02901	19.9
98.21130	7.9
98.97583	2.3
99.04459	26.1
99.62098	1.0
101.06046	2.7
103.03968	1.0
103.05472	1.1
109.02872	6.0
111.04403	1.5
117.05497	21.5
120.08099	5.1
124.05058	1.4
125.02338	1.1
127.03926	14.8
131.04930	1.9
135.06541	7.9
136.07611	1.3
145.04968	18.3
146.05981	1.4
147.04433	5.9
152.04593	1.8
153.01811	5.9
153.02939	1.0
153.07602	7.5
153.08664	1.4
158.99698	1.1
159.06549	1.0
162.78409	0.9
163.06039	3.5
173.04489	1.2
179.05655	1.2
217.10672	2.2
221.09158	1.5
225.07603	1.4
227.06796	1.4
229.48360	1.4
231.08582	1.8
237.02744	1.1
243.08611	2.3
245.10100	1.2
261.09662	1.9
279.10739	1.8
297.11862	8.6
361.14819	1.9
379.15900	4.8
414.54147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2374
Annotation	Nassauvirevolutin A
Peak:m/z	Relative Intensity
53.03923	3.9
55.01859	3.1
55.05496	7.5
57.07066	1.9
65.03935	2.6
67.05506	22.9
68.68040	2.0
69.03433	1.7
69.07066	6.5
70.17694	3.3
70.18090	5.0
72.62479	1.7
79.05492	27.3
81.07056	25.4
83.01329	3.6
83.04969	5.0
91.05482	43.0
93.07043	25.9
95.04950	6.6
95.08606	17.7
97.06533	3.9
98.20925	3.0
103.05465	1.8
105.07034	38.1
107.04955	5.6
107.08611	14.8
109.06522	8.0
109.10159	6.0
115.05437	1.8
117.07024	16.7
119.08582	26.3
121.06511	3.3
121.10169	8.5
123.08065	6.4
123.11713	1.9
125.05969	2.0
127.07533	3.1
129.07008	10.3
131.08575	24.5
133.06532	2.0
133.10126	20.8
135.08061	5.0
135.11674	6.1
137.05992	4.4
137.09624	11.3
139.07571	3.7
141.05457	7.0
141.06990	4.1
142.07744	2.4
143.08588	10.7
145.06509	4.1
145.10132	25.8
147.08092	3.4
147.11656	9.2
149.06041	2.0
149.09636	2.2
149.13274	3.3
151.07542	9.4
151.11122	2.0
153.01863	3.0
153.05469	9.1
155.08568	4.3
157.06639	1.8
157.10144	9.2
159.08063	2.3
159.11682	9.2
161.09671	3.6
161.13235	3.5
163.07593	4.9
165.09058	4.8
167.03423	14.7
167.07069	9.2
167.08394	2.0
169.08606	27.2
169.10112	6.2
171.11671	6.0
173.13309	5.8
175.07443	2.7
177.05496	4.1
179.03409	2.1
179.07051	3.1
179.10660	5.4
181.04955	3.9
181.08563	6.3
181.10056	2.6
183.11710	4.6
185.09538	2.5
185.13232	5.1
187.11090	2.4
187.14767	10.5
189.09056	2.4
189.12785	2.6
191.07051	3.6
193.05032	3.6
195.06552	14.4
197.09637	3.6
197.13269	3.4
199.11278	1.9
199.14954	1.9
201.12694	3.4
201.16522	2.3
204.04208	3.2
205.04968	6.2
205.08604	2.6
206.05751	7.6
206.14389	1.7
207.06549	2.0
207.10115	9.8
209.09708	1.7
211.14821	10.1
212.15700	2.2
213.07600	3.9
215.17981	3.5
217.12326	3.1
219.06546	34.2
219.10060	1.8
223.09676	6.6
227.10701	2.0
229.15985	3.7
233.08035	2.3
233.11765	6.8
239.18028	2.5
241.12285	2.8
245.11737	20.4
247.09615	2.1
247.13318	3.7
253.15903	2.5
257.19043	5.0
259.13278	9.9
263.12915	5.2
267.14081	1.8
277.14313	2.9
281.15308	1.9
281.18869	2.9
285.14810	3.7
299.16544	2.4
309.18600	2.2
361.21613	2.2
379.22681	31.7
397.23727	100.0
398.24127	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	397.1646
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
52.86912	1.5
53.03951	1.5
56.57388	1.4
56.64767	1.6
57.07066	6.0
69.03422	2.4
71.11053	2.7
72.82027	2.3
79.05482	1.9
81.03407	3.8
85.02880	4.3
85.06509	2.1
91.05464	9.6
94.04213	2.6
95.04961	2.1
97.02888	3.6
98.05903	1.8
103.05459	4.0
105.07017	3.5
107.04940	2.0
109.06495	2.6
110.03197	1.7
115.05437	2.0
119.04928	4.5
122.03625	7.0
127.03870	2.9
128.06200	3.2
129.06995	7.1
131.04927	4.4
131.08572	6.1
137.05977	97.2
141.07025	4.3
142.07762	2.9
144.05702	2.1
145.06453	1.9
149.05995	3.6
151.07556	15.7
153.06949	2.9
154.07797	2.1
155.08545	4.2
157.06487	3.0
158.07306	5.2
159.08067	7.8
161.06004	16.9
161.09644	3.6
165.07045	4.1
167.08615	1.9
169.06438	2.8
170.07295	3.0
171.08070	6.1
172.08815	3.9
173.05942	1.9
173.09679	2.0
175.07576	7.7
181.06502	3.8
182.07347	9.4
183.04152	1.7
183.08041	5.7
184.05209	1.8
184.08870	4.5
185.06026	1.7
185.09575	11.1
186.06741	2.0
187.07555	4.3
187.11340	2.5
189.09087	4.2
191.07043	9.3
193.06604	1.8
194.07339	3.3
195.08054	5.0
197.09630	11.4
198.06738	17.1
199.07581	7.8
201.09073	4.7
202.07748	2.5
205.08696	2.3
210.06757	4.4
211.07533	4.2
212.08276	2.9
213.09102	25.5
215.08743	3.1
215.10536	7.8
225.09138	14.5
227.10580	2.1
229.08360	2.1
229.10449	3.7
230.11061	5.9
231.08125	2.5
232.08749	2.7
233.09686	2.9
242.09421	3.0
243.08054	3.7
243.10184	18.9
245.09607	4.2
247.11761	3.3
248.08386	3.2
248.12141	3.7
254.95476	2.0
255.10150	7.4
257.09631	3.8
258.10709	1.8
259.07486	2.9
261.09134	7.5
264.07880	3.8
265.08649	5.0
269.10068	1.8
271.07449	4.2
273.11267	71.8
274.09598	2.6
275.07086	2.8
275.10712	6.2
276.07831	2.9
277.08609	5.6
277.12317	4.3
278.09390	2.1
285.09100	3.7
286.09933	3.2
287.07159	2.1
287.10532	2.1
289.08594	4.3
289.12158	4.3
290.09378	3.8
290.93179	2.2
291.10196	7.9
292.07397	5.5
293.08127	4.2
293.11765	4.9
301.08615	4.2
302.09283	2.4
303.10211	7.3
305.08224	3.1
305.11838	5.0
306.08954	2.2
307.09750	12.1
308.10541	7.1
309.11072	2.6
315.10086	2.1
317.08173	2.1
317.11783	5.3
319.09790	3.5
319.13263	2.1
320.10419	2.5
321.11172	9.9
322.12018	2.4
325.10760	3.5
329.11887	2.2
333.11182	6.9
334.11984	2.9
335.12698	8.9
336.13586	5.4
337.14429	3.0
339.12323	5.7
347.12668	2.3
349.14432	5.4
351.12225	20.5
353.13815	5.5
354.14673	32.8
361.14410	4.4
365.13895	3.6
366.14743	1.9
367.15524	4.5
379.15369	17.6
397.16489	100.0
398.16888	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	396.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01854	3.0
55.05515	10.3
57.03432	6.9
59.04991	2.9
67.05516	2.3
69.03442	17.4
69.47536	16.3
71.05004	14.3
73.02911	2.3
73.06562	82.8
78.02152	1.8
81.03400	9.2
83.04993	10.3
84.05329	1.9
85.02911	32.0
87.04461	4.1
91.03954	3.1
91.07572	2.9
95.04955	2.7
97.02904	28.2
98.21241	7.9
99.04464	23.3
99.08109	2.8
101.06040	16.7
101.29971	1.9
109.02886	10.5
113.03494	12.1
117.05501	100.0
119.07060	17.6
119.85364	2.0
120.08104	7.4
123.16601	2.0
127.03942	25.4
131.07022	4.3
137.08113	2.2
145.04962	14.5
153.01805	2.8
161.06102	2.0
163.05992	2.1
167.47238	1.9
181.04909	2.4
199.09715	5.3
206.08127	5.6
235.11597	2.7
245.10257	7.0
250.06966	2.0
252.08821	2.2
263.11237	4.7
279.10812	9.9
385.33521	2.4
396.13638	3.6
397.10837	17.3
397.15445	2.1
397.19382	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	396.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11642	0.9
53.03944	4.8
55.01870	1.3
57.03425	1.9
57.07076	100.0
59.07847	0.9
61.02913	1.6
65.52493	1.0
67.83680	0.8
69.03431	19.1
71.04984	2.2
71.05348	1.0
71.30433	0.9
71.30772	1.5
78.80108	0.9
81.03420	34.6
81.07140	1.2
85.02906	15.5
85.06542	23.3
91.05471	1.2
97.02278	2.1
97.02892	30.8
98.21106	1.4
99.04442	4.7
103.07592	8.0
109.02892	22.7
127.03920	36.4
137.05969	5.5
145.04956	18.3
175.09616	1.6
177.87935	1.1
211.09668	2.3
213.05704	1.0
213.09113	2.0
229.10721	75.4
247.11780	52.4
248.12056	1.6
273.11237	3.1
396.18433	1.4
397.16327	5.3
408.96191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34803	0.4
53.03946	0.4
55.01866	1.4
55.05507	2.6
56.96568	0.5
57.07064	1.5
64.31715	0.4
65.03941	2.6
67.05511	4.4
68.05815	0.4
68.45932	0.4
69.03425	0.7
69.07066	3.3
71.04993	1.1
71.08635	3.1
71.57687	0.4
79.05480	3.1
81.03457	0.6
81.07058	7.2
82.07420	0.6
83.08612	1.2
83.09414	0.4
85.06525	0.9
91.05482	100.0
91.19376	0.4
92.05809	1.1
93.07038	4.3
95.04981	4.4
95.08605	6.0
97.06541	1.5
97.10206	0.5
98.20978	0.4
99.08094	1.5
105.07034	4.5
106.06564	12.3
106.07276	0.4
107.08575	3.6
108.08122	16.6
108.08847	0.6
109.06520	7.0
109.10150	1.5
117.07021	2.0
119.08607	3.5
121.06517	1.4
121.10153	1.7
123.04421	0.8
123.08118	0.7
123.11736	1.0
124.08633	0.4
129.07027	1.1
131.08583	3.2
133.10133	3.1
135.08047	0.8
135.11717	1.0
137.06001	0.9
137.09607	0.8
143.08597	0.9
145.10101	2.1
147.11725	2.0
149.13217	2.1
151.11165	0.8
153.05499	1.0
155.07037	5.5
155.08421	1.1
157.10092	1.0
159.11705	1.8
161.13283	1.2
163.11194	1.1
163.14909	1.1
165.12753	24.0
167.03471	1.3
167.07056	1.2
167.08432	0.4
169.63405	0.7
171.11658	0.5
173.13252	2.2
175.11255	1.3
176.10728	1.2
177.09163	0.4
179.06969	0.4
179.14301	0.7
181.04974	2.6
183.11674	1.0
187.14871	0.6
189.16447	1.0
191.14378	3.3
193.08391	0.5
197.19092	0.8
199.11183	0.5
201.12810	1.3
229.19469	0.6
244.16948	2.1
271.20670	1.4
274.17987	0.6
281.10645	0.5
282.18698	1.2
289.21667	3.4
298.21710	4.8
340.22919	0.7
378.27924	1.5
379.26300	0.9
381.99176	0.5
396.22708	2.1
396.28964	13.2
396.32944	0.5
397.23727	1.4
397.29572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.2
55.01871	26.5
55.05506	5.7
57.03431	7.7
57.07091	5.2
58.51188	4.6
67.05503	8.3
69.03430	27.0
69.07064	8.8
70.02955	10.8
71.04990	5.3
71.57066	6.3
72.04520	20.3
73.02916	17.4
73.06564	12.2
76.22843	4.3
81.03415	39.2
83.04977	50.9
85.02920	37.7
85.06544	9.5
86.09692	12.0
88.03992	8.2
90.05554	48.1
93.07050	4.5
95.04984	11.3
97.02889	29.0
98.02418	15.5
98.21037	7.7
99.04465	13.3
100.03999	6.3
104.13235	4.8
109.02872	50.6
111.04465	14.8
116.03466	20.4
116.07083	24.7
124.07594	26.6
127.03914	44.5
129.05533	28.5
132.06567	8.0
132.10254	6.2
132.71616	6.1
134.08165	31.8
137.67879	4.6
139.03922	22.1
142.08656	21.4
143.07024	34.1
145.04980	18.7
153.23941	5.7
171.06586	17.0
174.11192	7.5
181.04922	6.0
184.09706	27.8
185.04533	17.2
189.07639	10.6
199.06007	10.3
202.10751	100.0
211.09714	14.2
217.07106	13.7
220.11823	21.0
230.10381	7.7
234.09776	9.8
262.12988	15.7
283.08142	10.7
283.67978	5.4
310.12903	7.4
328.13907	54.5
329.08636	7.7
343.10349	13.4
364.16110	13.9
372.03867	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	395.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06925	2.8
51.66869	2.8
55.01878	20.9
55.05494	8.6
57.07079	100.0
65.03947	2.5
67.05503	17.2
69.07076	22.7
69.58308	17.1
71.04971	8.0
71.08632	3.8
79.05497	14.7
81.07059	43.7
83.08621	12.3
85.06544	71.9
91.05457	7.0
93.07049	16.7
93.60939	2.4
95.08046	3.5
95.08612	49.1
97.02373	2.8
97.02907	37.1
97.06485	2.9
97.10159	11.1
98.20879	5.4
105.07025	9.7
107.08591	16.9
109.06487	5.2
109.10156	24.8
109.44366	3.0
111.08105	3.9
111.11709	10.4
113.09636	3.9
115.03937	50.8
119.08587	4.6
121.10133	15.8
123.11713	24.9
125.09646	2.9
125.13284	4.0
127.11239	4.5
129.12756	2.5
131.08578	4.9
133.10078	3.0
135.11707	4.2
137.13277	15.0
139.07556	8.4
143.08549	3.3
145.10120	5.7
147.11676	4.1
149.13245	9.9
150.51970	2.3
151.07520	3.4
151.14848	5.8
159.11752	3.2
161.03600	2.2
161.13200	4.8
163.14790	10.8
167.07051	34.8
167.10721	5.6
171.11627	4.5
173.13208	4.5
177.16417	6.8
185.13235	3.6
191.07013	5.3
210.40529	3.3
219.10182	3.8
219.21062	2.9
231.10188	8.5
233.11737	3.7
234.72760	2.8
241.19646	13.0
245.11740	22.5
246.60999	2.9
248.16302	2.5
261.09918	2.5
277.25299	3.5
281.28326	7.4
293.24820	3.0
311.30426	3.1
331.29926	3.5
333.31537	5.7
335.29422	4.7
359.29443	9.0
377.30508	41.1
395.12906	3.1
395.25848	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	395.3154
Annotation	Bisdihydrotrifarin
Peak:m/z	Relative Intensity
52.91968	0.6
53.03940	1.2
55.01871	4.6
55.05512	10.9
56.67477	0.5
57.03448	1.0
57.07076	100.0
58.07415	1.0
59.05001	7.7
64.19861	0.6
65.03946	1.4
67.05508	11.8
67.05861	0.9
67.63428	0.5
69.07064	17.5
69.51409	2.1
69.51839	2.5
71.05011	2.9
71.08639	2.0
79.05492	7.0
81.07058	39.9
83.04982	2.8
83.08620	12.4
85.06542	70.7
85.10164	0.9
86.06883	1.1
87.04471	12.4
87.04961	1.0
91.05470	4.7
93.07045	15.8
95.04979	1.9
95.08606	41.4
97.06538	3.9
97.10162	6.4
98.20934	2.0
98.21495	0.7
99.08089	1.4
101.02389	10.6
105.07029	9.9
105.44236	0.5
107.07858	1.0
107.08596	21.3
109.06490	4.3
109.10157	22.2
109.10917	1.1
111.04456	3.0
111.08080	6.8
111.11757	3.2
113.06013	1.7
113.09659	0.7
115.03925	0.9
117.06992	1.2
119.08575	6.9
121.06520	0.7
121.10137	13.8
122.25119	0.6
123.08065	7.0
123.11707	18.0
123.12563	1.1
123.71141	0.7
125.09631	2.7
125.13228	1.2
127.07554	2.1
127.11170	3.8
130.41774	0.6
131.08572	2.5
132.64174	0.6
133.10143	5.2
135.08099	0.6
135.11693	9.9
137.09642	2.9
137.13258	12.6
139.07565	1.2
139.11194	1.5
141.12729	2.0
143.08565	0.8
145.10123	4.1
147.11671	7.7
149.09648	2.5
149.13252	9.4
150.96013	0.5
151.11176	5.1
151.14801	3.0
153.12822	1.0
155.14328	3.3
157.10147	0.8
159.11702	4.1
161.13272	5.5
163.14825	8.0
165.12767	2.8
165.16400	1.4
167.10670	0.7
173.13271	3.5
175.14777	1.0
177.12843	0.7
177.16377	3.2
179.14285	1.3
179.17944	0.9
184.25468	0.6
185.13191	0.8
187.14822	1.6
191.14282	0.7
191.17964	1.2
193.19527	2.5
195.17566	1.1
197.19014	0.6
201.16348	1.6
203.17944	10.9
204.75279	0.6
205.19511	1.8
211.20647	1.1
215.18146	0.6
217.19519	4.4
219.21051	4.0
221.18993	3.6
223.20615	0.8
229.19566	2.2
231.21124	1.0
235.20564	1.9
237.18454	1.3
237.22121	2.6
241.19629	1.2
243.21025	0.8
247.20467	0.7
259.20667	0.6
265.21655	1.4
267.03305	0.6
275.23883	0.7
275.27390	3.9
277.25247	1.2
285.25800	3.1
286.72018	0.6
291.26877	1.7
293.25070	1.3
293.28439	3.8
299.27353	1.4
301.25229	2.2
303.26834	9.9
311.25641	1.4
317.28424	3.8
321.27869	47.3
322.28149	1.6
331.29968	0.9
335.29440	15.7
337.27341	0.9
341.28351	1.3
349.31137	1.6
359.29550	4.8
377.30530	10.7
395.31592	32.8
395.36261	1.2
396.31851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2428
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
50.73320	2.1
52.06269	1.9
54.09734	2.8
55.01858	3.9
55.05507	12.6
57.06816	2.9
57.07077	33.5
67.05501	26.6
68.50336	2.2
69.03407	2.4
69.07064	11.2
69.69237	12.4
71.08633	36.0
79.05493	25.3
81.03392	2.1
81.07054	37.1
83.04987	9.6
83.08608	3.2
85.06538	2.5
90.81012	1.9
91.05486	12.1
93.07054	24.4
95.04954	4.4
95.08604	26.2
97.02869	2.2
97.06513	6.1
97.10146	6.1
98.20821	3.1
98.21366	4.0
105.07034	10.6
107.08591	21.5
109.06500	6.3
109.10177	10.7
111.04462	6.5
111.08151	2.2
117.06966	2.8
119.08575	15.4
120.39117	2.1
121.10149	25.2
123.11680	8.4
125.05992	2.4
126.01153	1.7
129.05482	2.9
129.06996	3.7
131.08551	7.9
133.10110	6.5
135.08020	4.4
135.11694	6.8
137.05981	20.2
139.07578	2.4
141.05466	1.9
141.12753	15.0
143.08597	4.9
145.10106	6.7
147.11685	5.1
149.13240	3.3
153.01787	4.9
153.05550	2.4
155.07033	100.0
157.10152	4.6
159.11705	6.6
161.13246	8.1
165.05382	2.9
167.07056	5.0
173.13242	4.9
175.07648	2.9
177.16386	26.3
181.04965	99.2
185.13239	5.1
187.14806	6.3
191.07039	12.0
193.04964	11.2
193.08638	4.9
195.17397	3.9
199.14906	2.4
201.16451	2.1
203.14330	3.2
205.08575	4.5
205.15915	5.2
207.06418	2.1
209.08188	2.6
219.06467	2.1
219.10184	2.2
222.04398	2.3
223.16879	12.4
227.14221	2.4
241.17924	27.3
313.10666	2.2
340.38123	2.2
359.22122	4.7
377.23239	25.5
395.18240	8.5
395.22263	7.1
395.29373	6.9
395.33551	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	395.3156
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
55.01875	26.1
55.05509	13.8
57.07079	100.0
65.69192	1.8
67.05513	16.1
69.07066	23.0
69.66723	10.6
71.04984	5.9
71.08624	6.0
79.05491	7.0
81.07060	37.7
83.08622	16.0
84.22095	1.6
85.06549	84.7
89.06028	9.8
91.05482	3.7
93.07053	12.0
95.08611	44.9
95.52533	2.1
97.02905	30.1
97.06551	3.8
97.10140	12.9
98.20829	4.0
98.21368	4.3
105.07030	8.4
107.08597	12.1
109.06532	3.8
109.10168	21.1
111.11724	11.6
113.09651	2.2
115.03938	49.9
119.08562	4.9
121.10161	10.6
123.11722	29.8
125.13232	1.9
127.11175	2.6
129.12761	2.7
131.08549	2.4
133.08591	4.3
133.10118	2.4
135.11710	8.3
137.13281	12.8
139.07541	5.4
145.10152	4.1
147.11752	3.7
149.09630	2.7
149.13301	9.1
151.07541	2.8
151.14807	5.2
152.07904	2.5
153.09123	2.7
155.14322	3.4
161.13187	2.8
163.14818	7.0
165.16394	1.8
167.10672	5.8
169.08586	5.1
170.08997	4.6
171.09113	2.9
177.16327	5.1
188.72951	2.1
195.12291	10.0
196.12631	7.1
197.19084	2.2
205.19516	3.8
206.05629	2.5
218.41138	2.0
241.19449	3.0
263.27347	2.7
277.24881	2.0
281.28409	7.6
291.24121	2.2
293.24695	5.9
306.27853	4.4
333.31528	4.7
335.29233	4.4
341.28287	3.4
359.29260	9.9
377.26132	3.5
377.30457	51.0
395.31589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2428
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
53.96526	0.8
54.11034	0.8
55.05494	2.6
57.07086	5.2
65.33983	0.8
67.05511	6.1
68.99794	1.3
69.07059	2.4
69.34330	0.8
71.08636	5.3
71.24913	1.4
77.56413	0.8
79.05495	9.0
81.07066	9.1
83.04992	1.3
83.08610	1.4
87.93126	0.8
91.05474	6.9
92.84024	0.9
93.07047	7.7
95.04973	1.6
95.08618	7.1
97.06525	1.1
97.10162	0.8
98.21196	1.4
105.07025	3.9
107.08620	4.0
109.10155	1.5
111.41528	0.9
117.07033	1.3
119.08585	2.6
121.10169	5.7
123.04419	1.8
123.11737	1.4
129.07057	1.1
131.08571	3.1
133.10106	2.0
135.11670	2.0
137.05988	1.9
141.05493	1.1
141.12756	3.3
143.08548	0.9
145.10129	1.5
147.11694	1.3
151.07571	1.0
153.01822	2.2
153.05464	3.3
155.07043	13.7
157.10109	1.1
159.11707	1.8
163.03944	1.4
167.03410	15.2
167.04747	1.4
167.07077	1.3
173.13184	1.3
177.05347	1.0
177.16422	3.6
181.04973	15.4
185.13211	0.8
191.07031	3.0
191.57025	0.8
192.04224	2.7
193.04997	3.5
193.08553	1.2
197.09596	1.0
204.04193	10.9
205.05023	6.6
206.05737	20.3
207.06508	2.0
219.06534	78.0
220.07217	3.6
223.16949	1.6
231.06493	1.4
231.10074	1.2
232.07376	1.5
233.08092	3.8
241.18019	3.8
245.08110	3.7
247.09644	2.4
255.10223	0.9
257.08276	0.9
259.09857	1.3
261.11221	2.9
287.12949	1.0
301.14410	1.7
315.16003	1.3
327.16269	1.3
335.33575	0.9
362.24429	1.3
377.23029	2.8
395.22174	100.0
396.22629	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	395.222
Annotation	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
Peak:m/z	Relative Intensity
53.03934	0.8
55.01861	0.9
55.05515	3.1
57.03421	0.5
57.07076	4.3
59.31078	0.5
65.96333	0.5
67.05506	7.6
69.07087	2.4
69.36990	0.5
71.08634	4.1
71.58044	0.7
75.98656	0.6
79.05499	8.2
81.03384	0.9
81.06640	0.7
81.07061	8.3
83.04962	1.3
83.08616	0.5
89.42004	0.5
91.05481	6.7
93.07040	8.1
95.04940	2.0
95.08620	5.0
95.93282	0.5
97.06476	0.6
97.10136	1.1
98.21193	0.7
105.07046	5.7
107.08598	3.3
109.06481	0.7
109.10128	1.7
111.04430	1.1
117.07004	1.2
119.08590	2.5
121.10142	4.2
123.04398	1.6
123.11659	0.8
128.06268	0.6
129.06966	0.8
131.08549	2.0
133.10114	2.1
135.11678	1.6
137.05991	1.5
141.05394	0.9
141.12729	3.2
143.08565	1.1
145.10085	2.0
147.11687	0.8
151.03952	0.6
153.01817	2.2
153.05466	3.2
155.07042	12.6
159.11647	0.8
161.13251	0.6
163.03865	1.8
167.03415	15.9
167.06963	0.6
171.11659	0.6
176.04597	0.6
177.05470	1.4
177.16425	3.4
179.03426	1.0
181.04951	10.7
185.13263	0.6
185.60191	0.6
187.14766	1.3
189.16452	0.5
191.07094	1.9
192.04114	2.1
193.04956	3.3
193.08557	1.2
204.04178	9.2
205.04907	6.0
205.08566	1.4
205.15846	1.1
206.05742	17.6
207.06480	1.0
213.16409	0.8
215.06989	0.9
217.08633	0.9
218.05803	1.0
219.06532	82.3
220.07217	5.4
223.16925	1.3
227.07283	0.7
231.06494	1.8
231.10216	0.7
232.07320	1.5
233.08121	4.1
241.18076	3.7
245.08101	3.2
246.08870	0.9
247.09729	2.7
259.09668	1.5
261.11230	2.2
273.10843	0.8
289.14307	1.2
301.14203	0.6
303.16010	0.6
315.16064	1.4
320.44727	0.5
325.14484	0.5
327.15948	1.0
335.22025	0.8
339.15942	0.8
344.07462	0.5
362.24707	0.6
365.17682	0.8
377.22986	2.1
393.20868	0.5
395.22180	100.0
396.22525	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	395.2216
Annotation	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
Peak:m/z	Relative Intensity
53.03942	2.6
55.05519	3.9
55.69121	0.7
57.07061	2.7
65.03945	1.2
67.05501	10.1
69.07056	3.4
71.08637	1.0
71.57949	1.1
71.58330	1.0
73.77328	0.9
77.03884	0.7
79.05497	16.4
79.70158	0.7
81.03413	1.7
81.07060	11.0
83.01333	1.6
83.01854	0.7
83.04945	1.4
83.08627	0.9
91.05479	11.5
93.07046	17.4
95.04960	3.0
95.08620	7.9
98.21143	0.8
99.04475	1.2
105.03385	1.0
105.07041	7.9
107.08601	11.3
109.06515	1.0
109.10150	3.2
117.07018	1.3
119.08595	5.2
121.10179	6.7
123.04427	0.7
123.11660	0.8
129.06998	2.2
130.75111	0.9
131.08566	3.1
133.10129	6.1
135.11699	4.5
137.06007	2.7
141.05478	1.7
143.08575	2.4
145.10100	4.5
147.11703	4.5
147.79376	0.7
151.07515	1.1
153.05467	7.3
157.10135	1.6
159.11717	3.1
161.13300	0.7
165.01813	1.1
165.05486	2.4
167.03401	71.9
168.03690	1.0
169.04991	0.9
169.10092	0.9
171.11729	3.0
173.13333	1.4
175.07510	0.8
177.05573	3.7
179.03552	0.9
179.07130	0.8
181.04951	3.5
185.04460	1.5
185.13280	1.8
187.14885	1.0
189.16348	1.2
191.06996	1.2
193.04988	6.2
201.16451	1.3
203.07080	1.0
205.04897	1.5
205.08623	1.2
206.05753	10.7
207.06497	1.9
211.14978	0.8
213.16383	14.8
217.08644	1.2
219.06528	38.6
220.07158	1.5
227.07129	1.3
229.19456	4.4
231.06543	2.0
232.07338	1.3
233.08096	3.5
245.08116	11.1
247.09694	3.1
255.17351	2.5
259.09482	3.7
259.13388	1.0
261.11218	2.2
273.11261	2.4
287.12747	0.9
301.14328	1.4
303.15961	1.5
315.15875	3.7
327.16061	1.9
329.17432	1.2
339.15939	3.3
353.17590	2.7
367.19012	5.4
377.21103	6.0
377.26111	1.3
395.22156	100.0
396.22495	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	395.2215
Annotation	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
Peak:m/z	Relative Intensity
53.03936	3.2
55.01861	1.7
55.05510	6.4
57.07080	5.2
65.03923	0.9
67.05508	16.2
69.07082	4.3
70.89409	3.0
75.70673	0.7
79.05493	21.9
81.07059	16.8
83.08621	1.6
85.06540	3.0
91.05487	14.9
93.07048	23.6
94.74996	1.0
95.04949	4.3
95.08614	9.2
98.21184	1.8
105.03408	1.2
105.04539	1.5
105.07026	10.0
107.08599	11.4
109.06511	1.6
109.10139	5.7
111.11646	0.9
111.24660	1.0
117.07067	1.3
119.08608	6.1
120.11716	0.9
121.10146	7.7
123.11703	1.9
129.06975	1.1
131.08524	3.6
133.10074	4.3
135.11664	5.4
137.05968	2.2
137.13229	1.4
139.31369	0.9
141.05453	1.9
142.07684	1.1
143.08594	1.1
145.10121	3.8
147.11682	2.9
151.07533	1.2
153.05505	4.8
157.10149	1.3
159.11710	2.5
167.03406	37.9
171.11623	1.3
177.05479	4.3
179.03441	1.2
189.16422	4.6
189.89468	0.8
191.07095	1.5
193.04970	7.7
195.12311	1.2
203.06905	1.2
203.18062	1.2
205.05005	1.3
206.05740	15.0
207.06560	2.2
213.16359	2.1
217.08591	2.1
219.06528	53.3
220.07097	2.0
227.07028	1.7
227.17892	1.3
229.19635	1.4
231.06508	1.8
231.10097	2.0
233.08089	2.7
243.06561	1.3
245.08076	11.4
247.09604	3.7
259.09708	4.9
261.11282	2.6
272.66544	0.8
273.11105	1.3
287.12726	1.4
289.14304	1.8
301.14160	1.5
303.15845	2.0
315.15930	6.2
321.27988	1.6
327.15964	3.3
327.89111	1.0
329.17450	2.3
339.15866	3.2
341.17673	1.1
353.17493	3.8
367.18887	5.1
377.21255	2.6
377.30676	1.1
395.22168	100.0
396.22568	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	395.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44978	0.6
60.64128	0.6
65.29970	0.6
70.84359	1.8
73.06549	2.4
79.05505	0.8
81.03436	0.7
85.02905	0.9
97.02867	0.9
98.21062	0.7
99.04398	0.6
113.03447	1.0
114.62305	0.6
145.04945	0.9
163.69199	0.6
173.07085	0.7
197.10750	0.9
199.08568	3.2
200.09439	2.0
201.10150	1.4
204.26952	0.7
211.08725	3.9
211.12268	1.3
212.09419	2.0
213.10251	7.6
214.10970	1.1
215.11806	10.0
217.09766	2.8
225.10286	5.1
226.10934	1.5
227.08159	1.5
227.11766	1.0
228.12511	0.9
229.09718	2.4
231.11406	1.3
239.08191	4.2
239.11765	3.5
240.08969	1.8
241.09653	3.6
241.13371	4.4
242.10463	4.2
243.07698	0.9
243.11304	8.6
244.12053	0.7
245.09293	1.4
251.11888	0.7
253.09692	6.0
254.10248	1.0
256.12161	1.0
257.09213	5.2
257.12784	1.6
259.10794	5.2
261.08844	0.9
263.10239	3.2
267.11319	3.0
268.08508	1.8
269.12912	4.6
271.10782	30.2
271.13800	1.5
272.11215	1.2
275.10172	3.4
285.12332	6.4
286.06174	0.8
286.09448	0.8
287.13937	2.1
295.10782	2.4
297.12305	7.3
300.11050	1.5
303.09940	1.3
303.13309	1.4
304.14352	0.7
313.11810	7.6
315.13394	6.7
321.10690	2.7
323.10239	1.5
331.12888	2.5
333.14337	1.7
341.11185	7.2
349.13956	1.5
359.12372	11.7
377.13443	21.4
378.13721	1.4
395.14493	100.0
396.14828	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	395.2042
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.05493	0.7
67.05495	0.9
70.82313	1.3
71.04966	0.8
74.92624	0.5
79.05470	0.7
81.03391	1.0
81.07046	1.4
83.04996	0.6
85.02908	0.8
85.06603	0.6
86.20402	0.5
93.07022	1.1
98.20953	0.5
99.04446	0.7
105.07027	1.9
106.82357	0.4
107.08598	1.0
109.06486	0.8
109.10155	0.6
115.03819	0.5
119.08546	0.6
121.06505	0.7
127.03896	0.9
131.08559	1.3
131.29042	0.5
145.10184	1.4
153.01790	0.6
159.11743	0.9
163.07668	0.5
163.11220	0.7
167.07057	0.6
173.09695	0.5
187.11256	1.1
215.10585	0.6
233.11705	1.0
233.15202	0.6
395.20438	100.0
396.20810	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	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.05510	13.1
57.07073	4.3
65.03931	1.7
67.05510	18.7
69.06773	2.1
69.07077	23.3
69.56676	6.0
69.57108	8.1
75.78690	2.0
79.05495	10.0
81.07061	51.3
83.08636	11.1
91.05485	7.3
93.07056	20.9
95.08612	63.9
97.10162	6.7
98.21030	6.4
105.07034	21.9
107.08598	34.3
109.10159	41.0
111.11664	3.1
117.07010	6.2
119.08577	31.9
121.10140	28.1
123.11698	21.0
129.07059	3.5
131.08597	11.2
133.10130	22.1
135.11707	20.5
137.13216	6.5
143.08565	3.7
145.10135	23.9
147.11711	15.0
149.13231	15.8
151.14856	1.9
157.10139	5.2
157.95465	1.9
159.11671	19.5
159.66667	1.9
161.13254	11.2
163.14841	9.7
166.57124	1.8
167.07057	3.9
171.11664	8.6
173.13303	13.1
175.14833	7.0
177.16394	9.1
185.13266	6.8
187.14815	11.5
189.16452	10.0
189.60765	2.0
191.17892	3.1
193.63025	2.0
199.14804	4.1
201.16402	12.5
203.18018	12.3
213.16376	4.2
215.17928	12.6
217.19525	4.9
227.17920	3.6
229.19518	6.7
231.21077	4.2
239.18094	2.3
241.19527	7.8
243.21086	12.3
255.21014	14.2
257.22684	3.5
269.22656	10.9
271.24261	2.7
283.24164	3.8
297.25769	5.3
323.27112	3.1
337.28867	2.7
351.30487	4.5
393.30191	8.8
393.35135	100.0
394.35538	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01853	1.0
55.05518	0.9
58.38273	0.9
69.03409	4.3
70.06562	1.4
71.04990	1.0
73.06582	1.4
75.54029	0.9
79.01841	2.8
81.03417	7.0
83.04942	1.0
85.02914	4.9
97.02894	6.1
98.21273	7.3
99.04462	1.6
106.21318	1.2
109.02869	6.7
125.02335	3.5
126.39028	1.2
127.03925	9.7
132.06541	1.1
143.03421	3.3
145.04968	1.5
153.01839	100.0
154.02280	1.5
171.02917	14.7
278.96863	1.0
297.06070	14.1
315.07108	19.9
334.05167	1.0
334.25992	1.1
336.36197	1.2
394.34619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	3.3
59.06631	2.1
59.62212	2.2
69.03438	2.8
71.56850	3.5
75.81500	2.1
77.00892	2.4
82.99862	3.2
85.02896	5.3
97.02912	3.4
101.00879	35.0
103.02423	5.5
107.20984	2.3
113.00887	13.2
113.05079	2.0
115.02435	5.2
117.04007	8.5
119.01921	78.1
127.02435	13.7
129.03993	5.2
131.01912	71.0
133.03445	6.7
135.05048	5.6
137.02939	7.0
141.04016	4.2
143.01921	19.0
143.97787	2.2
145.03471	94.3
147.05014	5.2
149.02934	9.3
153.01866	7.9
155.01917	17.5
157.03482	8.2
159.05032	28.3
161.02969	27.6
163.04555	15.3
165.02472	2.8
166.07239	10.1
169.03479	55.6
171.01385	10.6
171.04993	24.1
173.02971	27.8
173.06639	3.5
175.04526	3.6
180.25902	2.3
181.03516	17.9
181.56007	2.4
185.01500	2.1
185.02881	11.9
185.06752	2.4
187.04530	89.9
189.02477	24.8
189.06114	7.6
197.02921	5.3
199.00845	4.5
199.04533	41.7
201.02448	5.8
203.04021	9.6
207.03566	6.4
213.02444	20.2
215.04022	4.4
217.02014	4.2
217.05615	6.1
221.05052	13.8
225.02478	9.0
229.05559	5.8
231.03514	27.0
239.06236	4.4
241.13461	3.0
242.99934	3.2
243.03476	9.4
243.11244	4.1
245.05258	2.5
257.01419	10.4
259.10773	2.5
271.10782	13.1
274.99506	5.0
275.02509	100.0
275.05838	6.5
276.02585	3.2
279.09302	2.8
285.12244	3.2
287.02499	69.3
288.02304	2.9
289.07681	13.8
293.03552	22.9
297.12369	4.2
303.01883	12.1
305.03656	22.4
313.11923	2.5
316.05298	2.8
333.06464	2.6
335.04553	7.6
341.11505	3.8
359.04730	5.5
359.12335	5.6
377.05551	10.7
377.13345	7.9
395.14157	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
55.05513	28.4
57.03433	6.5
57.07079	53.8
65.03951	4.3
67.05505	58.0
69.06737	4.7
69.07063	27.8
69.63904	3.8
69.74546	8.0
69.74943	17.1
71.04990	6.3
71.08634	20.2
79.05500	42.8
81.07055	74.9
83.04975	7.7
83.08607	22.4
85.06548	7.8
85.10187	16.7
86.95978	3.7
91.05480	58.5
93.07046	84.5
95.04965	58.3
95.08604	89.2
97.06535	6.7
97.10185	9.2
98.21327	8.3
98.98482	24.2
105.07028	99.7
107.08599	57.3
109.06527	15.3
109.10157	41.9
117.07030	30.7
119.08582	100.0
121.06504	24.7
121.10138	34.7
123.08057	6.7
123.11695	22.7
128.06230	10.3
129.07025	19.6
130.07788	11.0
131.08562	39.8
133.10132	54.7
135.08060	10.1
135.11687	21.9
137.06007	5.5
141.06964	4.3
142.07816	23.5
143.08562	37.9
144.09378	9.2
145.10120	64.7
146.07297	5.8
147.08041	6.7
147.11722	22.8
147.82962	3.3
149.13358	4.1
153.01830	26.8
154.07803	4.3
155.01042	40.9
155.08505	9.3
156.09346	15.8
157.10130	64.0
158.10907	4.3
159.11707	50.1
161.09578	18.6
161.13271	10.2
163.11166	5.4
165.07016	5.3
167.08556	5.5
169.10097	19.5
169.57802	4.1
170.10898	8.5
171.11696	27.3
172.12503	4.7
173.09578	4.0
173.13293	19.3
175.11220	10.8
175.14822	13.0
179.08615	8.6
180.09306	5.7
181.10150	7.4
182.10791	3.9
183.11729	17.4
183.17493	17.7
185.09599	4.3
185.13307	16.7
187.11212	6.3
187.14850	12.4
193.04956	77.3
193.10249	6.9
194.11006	5.5
195.02956	6.7
195.11639	18.5
196.12358	5.0
197.13266	13.4
199.14798	7.7
201.16402	6.6
207.11732	10.4
209.13295	15.2
210.13997	6.0
210.35484	3.8
211.14842	10.8
213.16451	7.6
217.15894	4.2
221.13242	5.9
223.14972	4.5
225.16379	7.1
225.18384	5.2
235.14792	5.5
237.16440	6.3
253.19495	5.2
315.87393	4.3
375.21722	10.8
393.28232	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	393.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73555	4.1
55.05494	11.6
57.07078	65.8
67.05499	13.8
69.07080	29.5
71.08629	9.9
81.07066	28.2
83.04984	4.5
83.08619	10.7
85.06551	45.3
85.10168	5.2
91.05475	8.2
93.07048	8.6
95.08578	28.1
97.10136	5.7
98.20758	15.9
98.21478	14.1
103.08636	4.0
107.04962	32.4
107.08604	5.5
108.27894	4.4
109.06557	6.8
109.10160	14.9
119.08559	7.7
121.06522	81.4
121.10123	7.1
137.13289	5.0
141.05482	13.0
145.06454	8.5
145.10150	4.3
147.11778	4.3
151.07515	9.8
155.00931	5.5
159.11595	4.8
161.09657	8.0
163.07532	24.2
167.03413	100.0
183.77054	4.5
201.34558	4.6
208.63223	4.5
270.29926	4.7
333.27872	71.9
334.28204	5.8
357.28030	4.9
375.28885	10.2
388.53339	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	393.3
Annotation	3-Hydroxydihydroirisquinone
Peak:m/z	Relative Intensity
55.05502	3.7
57.07078	9.2
66.26620	0.7
67.05505	7.3
69.03433	1.2
69.07069	4.6
69.59967	2.8
69.60388	2.2
71.04990	1.0
71.08622	4.1
79.05473	1.7
81.07069	8.2
82.45503	0.7
83.01351	4.2
83.08611	2.5
90.09966	0.7
91.05486	3.2
93.07027	2.1
95.08614	6.8
97.10155	1.2
98.20801	1.5
98.21444	1.5
105.07052	1.0
107.08633	0.9
109.06522	2.9
109.10174	3.5
111.08110	0.8
117.07016	0.7
119.08601	3.9
121.06514	1.6
123.08057	2.3
123.11727	0.9
124.05158	1.1
128.75620	0.9
137.06004	6.0
137.09587	1.6
139.07544	8.6
147.08044	12.7
151.07549	19.5
153.05444	0.9
155.07057	4.5
165.05519	1.8
165.09131	8.2
166.11571	0.9
167.07047	76.2
175.07578	13.8
178.06268	2.8
179.07031	3.4
181.04982	2.5
181.08588	2.9
183.06538	26.5
193.08624	12.9
200.00262	0.8
207.10132	0.8
375.29010	1.6
393.29999	100.0
394.30356	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	393.2272
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
55.05514	6.9
57.07074	4.1
67.05177	0.6
67.05511	9.3
68.99786	1.4
69.07074	9.2
71.04982	0.8
71.08642	3.3
71.08942	0.6
71.56986	0.7
76.81826	0.7
79.01844	0.9
79.02714	0.6
79.05493	3.8
81.03413	0.8
81.06631	1.0
81.07059	10.4
83.08606	2.6
84.04043	0.8
85.10178	1.1
91.05464	2.7
93.07042	3.9
95.04981	1.2
95.08610	7.6
97.06545	1.0
97.10144	1.1
98.71850	0.7
105.03356	0.9
105.07048	3.3
107.04938	0.8
107.08598	4.1
109.06499	2.6
109.10143	4.2
113.09615	1.4
119.08588	3.6
121.10110	2.4
123.04420	1.2
123.11692	2.6
127.03912	2.7
131.08519	0.8
133.06490	0.8
133.10127	2.7
135.08031	0.8
135.11681	1.7
137.05936	1.4
139.03874	2.4
141.12740	0.7
143.08559	1.6
145.10066	1.4
147.11632	1.1
149.13269	1.1
151.03951	0.9
151.07555	1.0
153.01830	41.6
155.07011	2.2
157.10107	0.9
159.11671	2.4
161.13234	1.0
163.03867	2.1
163.14867	1.2
169.10097	0.7
171.02875	2.0
171.11687	0.8
173.13164	1.0
175.14828	1.0
177.05397	1.6
179.03413	5.5
181.04932	2.2
187.14874	1.5
191.03307	0.8
192.04187	6.3
193.04944	2.6
203.06973	1.2
205.04965	100.0
206.05466	1.3
207.17525	1.1
209.28951	0.8
213.16380	1.1
217.05008	2.4
219.06491	3.0
221.15369	1.2
223.14876	0.7
225.16347	0.8
231.06514	12.4
233.08157	4.0
245.08003	2.6
245.11729	1.1
247.09666	1.4
249.07596	6.9
249.18491	1.0
259.09650	0.7
294.76813	0.8
315.19656	1.0
357.20612	19.5
358.20615	1.1
375.21655	73.9
376.21964	1.5
393.22696	30.8
393.26752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2272
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
53.03937	0.9
55.05305	0.7
55.05513	8.9
57.07081	4.5
60.10949	0.8
67.01832	0.7
67.05518	8.1
68.99774	1.2
69.07072	7.9
69.43533	3.6
69.43959	2.2
71.04978	1.0
71.08621	3.0
79.05492	4.5
81.07056	12.0
83.08614	2.2
85.10201	0.8
91.05471	2.9
92.23976	0.7
93.07058	4.2
95.04990	0.9
95.08607	9.5
97.06499	1.2
97.10160	1.2
98.20709	0.9
98.21272	2.8
105.07047	2.2
107.08589	3.4
109.06484	0.8
109.10152	3.6
117.07005	0.9
118.49583	0.7
119.08590	3.2
121.10130	2.0
123.04456	1.4
123.11690	1.9
127.03941	1.6
131.08594	1.8
133.10139	1.9
135.11705	1.0
137.05936	1.2
139.03946	3.0
143.08600	0.9
145.10121	1.0
147.11697	1.0
149.06113	0.9
149.13284	1.1
150.85681	0.8
153.01833	42.9
157.10127	0.9
163.03944	2.6
163.14746	0.8
171.02870	1.3
177.05504	1.8
179.03412	5.2
181.04947	1.9
187.14891	1.0
191.03406	1.1
192.04185	6.2
193.05008	3.1
203.07149	1.2
203.18120	0.8
205.04970	100.0
206.05354	1.8
207.17381	1.2
211.14743	0.7
217.04971	3.6
217.08611	0.8
219.06584	3.0
231.06538	12.1
233.08034	2.8
244.07408	0.8
245.08005	2.5
249.07599	6.8
357.16461	1.5
357.20587	19.3
375.21643	76.4
376.22116	1.9
393.22693	38.6
393.35159	1.2
394.23212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2635
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
55.01858	2.1
55.05514	10.6
57.07078	3.7
59.78835	1.6
66.51943	1.6
67.05508	16.9
69.07065	9.7
69.52699	2.0
69.53097	11.7
71.08644	2.2
79.05489	7.0
81.07059	22.0
83.08609	5.6
83.22289	1.6
91.05474	3.7
93.07049	9.3
95.04967	3.1
95.08601	19.2
97.06525	2.3
97.10159	2.9
98.20827	3.5
98.21452	3.7
100.58790	1.6
105.07027	4.1
107.08571	4.1
107.34670	1.5
109.10160	8.6
119.08597	4.5
121.10165	5.1
123.04420	5.3
123.11703	2.9
125.05959	1.6
133.10175	2.6
135.11684	2.9
137.05945	1.9
137.13322	2.0
139.03868	2.6
141.05481	22.5
149.02347	4.9
149.13239	2.0
151.07614	3.4
151.08855	1.7
151.14883	2.3
152.01089	2.4
153.05470	33.8
161.13280	2.8
163.07593	1.7
167.03409	100.0
167.07050	4.3
169.04912	3.0
177.05507	5.5
179.06999	8.9
191.07156	1.8
191.17987	5.0
195.06551	6.8
207.10147	8.5
217.08530	2.1
217.19524	7.0
219.02850	1.8
235.20512	5.0
261.09161	1.7
269.08151	3.2
291.19540	2.4
357.24133	5.6
375.25269	14.9
393.35001	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	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.4
68.05005	1.3
69.03426	0.4
69.47191	3.0
70.06570	0.4
73.06541	0.7
81.07045	0.5
85.02856	0.4
95.08575	0.6
97.02892	0.6
98.20997	1.5
105.06990	0.4
108.85909	0.4
124.05055	0.5
130.05031	0.7
131.04839	0.4
136.07535	0.5
140.03427	0.8
142.03453	0.4
146.06007	0.7
149.04607	1.0
151.03931	0.6
172.06100	1.0
175.06125	0.4
189.06490	1.0
201.06456	1.5
202.07166	2.6
203.08041	1.6
204.08846	6.2
215.08006	1.7
216.08817	100.0
217.09532	2.9
218.10355	5.3
225.06476	11.2
226.07213	3.4
227.07997	1.2
228.08800	1.1
229.09587	1.3
230.10385	9.9
231.10780	0.5
240.08809	53.1
241.09467	2.3
246.09892	7.5
255.09956	0.6
258.09940	2.5
259.11029	0.5
268.08276	4.7
272.11438	4.5
283.09344	1.5
300.10928	49.8
301.11115	1.4
311.08856	0.8
315.11981	1.2
333.13086	3.0
343.11572	2.3
361.12549	4.6
375.14215	4.0
393.15189	23.3
394.15536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2272
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
54.13723	3.7
55.05510	18.8
57.03427	11.1
57.07060	10.5
62.86896	3.6
63.20644	3.5
65.03941	4.1
67.01833	3.9
67.05228	3.6
67.05511	47.5
68.99789	3.9
69.03407	7.9
69.07049	19.7
71.04979	18.3
71.58096	5.9
79.05489	47.6
81.03422	5.6
81.06634	5.6
81.07059	57.9
83.04981	4.3
83.08602	12.6
85.06558	3.9
91.05479	39.1
93.07042	47.8
95.04959	8.5
95.08604	46.1
97.06519	7.2
105.07029	30.5
107.08589	32.8
109.02914	5.6
109.06521	5.8
109.10138	12.5
111.08066	8.0
117.07002	12.3
119.08575	36.1
121.06563	4.6
121.10152	24.3
123.08086	10.9
123.11697	5.5
125.05982	5.1
125.09602	7.4
127.03922	68.1
129.07018	10.6
131.08563	16.5
133.10133	33.2
135.08069	5.0
135.11705	23.2
137.05957	8.1
137.09624	11.3
139.03902	36.7
143.08575	5.5
145.10031	19.5
147.11719	21.3
149.13327	9.5
151.11183	6.7
153.01831	100.0
153.05412	10.6
156.02309	4.2
157.10091	10.8
159.11697	10.6
161.13246	8.8
163.11246	6.4
165.05498	7.4
165.09100	4.1
167.03391	7.4
167.13800	4.0
171.11652	15.1
173.13309	8.4
177.12747	5.2
179.15677	4.7
181.04933	8.5
185.13249	4.2
187.14793	9.8
189.16393	9.8
193.04921	4.5
193.08510	6.1
203.07098	4.3
203.17953	5.8
204.37910	4.1
213.16490	12.0
219.06548	8.3
231.17439	13.8
249.18504	14.4
302.18411	8.0
339.19342	4.3
364.53378	4.3
375.25317	25.9
376.26013	50.6
393.20480	19.4
393.26920	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	391.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00801	0.4
53.03944	1.1
55.01867	2.0
55.05266	0.7
55.05511	10.6
57.03421	1.0
57.07077	6.6
59.44870	0.4
65.03928	0.8
67.05165	0.7
67.05502	9.4
68.99794	0.6
69.07068	18.6
69.66296	2.7
70.98338	0.4
71.08276	0.5
71.08630	4.2
79.05491	6.0
81.03398	1.8
81.07059	11.8
83.01346	8.2
83.04984	2.3
83.08136	0.6
83.08614	11.2
85.02895	1.8
85.06548	0.5
85.10179	1.8
91.05482	2.3
93.07048	7.8
95.04969	1.3
95.08607	13.2
96.08945	0.5
97.02873	0.7
97.06535	2.4
97.10160	5.7
98.20931	1.6
98.21494	0.5
99.04441	0.9
101.02370	1.7
105.07046	2.3
107.04959	0.7
107.08587	7.2
109.02877	2.5
109.06506	1.6
109.10154	9.6
111.04449	1.3
111.07983	0.4
111.11745	2.8
113.02370	2.9
113.05990	1.0
115.03911	0.9
117.06994	0.8
119.08612	2.5
120.40860	0.4
121.06481	1.6
121.10153	8.1
123.04419	1.2
123.08076	1.8
123.11696	3.7
125.05959	1.4
125.13242	1.0
127.03920	16.0
131.08566	1.6
133.10126	1.7
135.08040	1.3
135.11699	4.4
137.05962	2.3
137.09631	2.5
137.13257	1.8
139.07585	0.7
141.05475	8.0
145.10080	1.5
147.11713	0.7
149.02342	4.7
149.09612	2.4
149.13268	1.9
151.07536	2.1
151.11179	1.0
151.14786	0.9
152.61263	0.4
153.05470	1.2
153.09071	0.6
155.06908	0.5
159.11713	1.3
161.09584	0.5
161.13434	1.0
163.07642	0.4
163.14839	1.1
165.01775	0.5
165.05453	0.5
165.09134	4.4
167.03401	100.0
168.03764	1.3
169.08589	3.0
169.09897	0.4
177.09096	2.9
179.10689	1.0
181.04941	0.7
183.06602	1.4
183.10153	10.2
183.11746	0.6
187.14920	0.6
191.10698	1.3
191.17973	2.1
193.12218	1.1
195.10175	3.0
195.13939	0.5
197.11781	3.1
205.12239	0.6
207.21112	0.7
209.04401	0.7
209.11732	1.6
209.19012	0.9
211.13225	2.2
219.13641	0.7
223.13278	1.9
225.14893	2.4
225.22195	1.5
233.15373	0.7
237.14868	3.3
239.16483	3.0
247.16968	1.0
248.14433	0.5
251.16385	3.4
251.20171	0.9
253.18010	3.7
265.17987	4.4
267.19586	1.8
279.19543	2.0
281.21143	1.5
293.21115	1.5
295.22748	0.8
307.22681	1.0
309.24188	1.0
321.24139	1.2
335.25891	1.4
364.72238	0.5
373.23767	0.8
373.31064	1.6
391.24677	3.7
391.32114	5.2
391.40225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.1
53.73750	4.0
55.01871	5.5
55.05510	67.9
57.06873	4.0
57.07081	45.8
67.05510	40.7
69.06482	5.7
69.07070	100.0
69.80894	15.3
69.81299	6.7
71.08630	25.6
79.05490	17.3
81.07056	65.3
83.01340	47.6
83.04976	12.0
83.08620	73.4
84.08142	7.7
85.02885	18.5
85.06563	5.7
85.10169	14.0
91.05481	14.6
93.07043	45.7
95.04973	7.2
95.08604	79.2
97.06544	5.4
97.10172	36.3
98.21303	14.2
101.02381	8.2
105.07039	28.4
107.08601	47.4
109.06559	21.6
109.10162	54.7
111.04420	9.4
111.08043	5.3
111.11734	16.9
113.02376	16.7
119.08562	18.4
121.06513	15.6
121.10149	28.7
123.04408	5.2
123.08053	16.6
123.11716	27.1
124.57378	4.3
125.06012	10.3
125.13200	6.1
127.03934	32.0
129.05502	5.7
129.10298	8.2
131.08511	9.6
133.06520	6.5
133.10110	13.7
135.08101	10.7
135.11705	18.8
137.05959	15.6
137.09604	18.1
137.13263	15.6
139.03979	4.2
139.07497	5.8
141.05479	4.8
143.08600	4.9
145.10124	16.3
147.08054	8.1
147.11697	11.7
149.02370	22.7
149.09615	19.0
149.13319	9.1
151.07530	11.8
151.11160	8.2
151.14908	5.0
153.01807	9.3
155.07100	7.5
157.10078	4.8
159.11665	8.3
160.32896	4.2
161.13313	4.9
163.07603	5.0
163.11195	5.2
163.14827	7.9
165.09132	29.5
165.16371	4.8
169.08635	14.8
173.13278	9.1
173.29918	4.7
175.11211	6.3
175.14790	4.9
177.09116	19.6
179.10663	15.7
183.10213	49.4
191.10722	7.6
193.12279	5.9
195.10153	12.3
197.11720	16.9
201.16519	4.9
205.12222	11.1
205.15919	5.2
209.11795	10.3
211.13290	13.0
219.13899	8.5
221.15332	5.2
223.13203	8.6
225.14821	13.7
233.15428	7.5
237.14844	20.9
239.16426	11.4
247.16991	9.3
251.16425	19.1
253.17992	20.3
265.17953	18.5
267.19409	6.2
279.19595	9.8
281.12286	4.5
293.21173	8.1
307.22812	7.4
321.24487	6.4
335.25784	6.9
345.31558	7.5
373.31024	17.2
391.32092	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
61.02923	1.5
66.85973	1.3
69.03422	4.9
69.96740	4.9
71.04991	1.7
73.06556	1.4
75.52763	1.3
79.05482	3.9
81.03417	2.2
81.07053	2.1
82.64074	1.2
82.99017	1.2
85.02909	11.2
91.05481	3.0
93.07060	1.6
95.04988	2.9
97.02885	5.0
97.06487	1.7
98.21141	3.1
103.05472	4.4
105.07022	3.6
106.45927	1.3
107.04960	44.3
108.01866	1.2
109.02882	2.4
109.10130	1.6
115.05450	1.6
117.07059	2.8
120.05724	1.4
123.04403	1.5
124.05200	2.0
125.05965	1.9
127.03898	4.0
130.08649	7.1
131.04942	3.1
131.08591	1.4
135.08060	14.1
137.02405	1.2
137.05988	2.4
145.04997	1.9
149.02350	4.8
149.06073	1.5
150.02727	1.6
154.06107	1.3
159.11697	1.3
162.06229	1.4
163.07562	33.4
167.07053	89.8
168.07414	1.9
171.68271	1.4
180.07721	2.3
181.08595	1.9
194.11723	1.8
195.10188	50.4
213.11230	100.0
214.11697	1.8
297.30472	1.2
393.20966	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	392.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.01867	3.0
55.05507	6.2
57.07063	3.5
57.75416	2.5
67.05503	10.8
69.03436	3.3
69.07069	4.3
71.01402	4.4
71.01760	6.1
79.05506	35.6
81.03400	3.7
81.07051	17.2
83.04959	2.9
85.02921	19.3
91.05483	14.9
93.07047	71.5
95.04939	2.5
95.08603	19.7
97.02877	3.1
97.06596	2.8
103.03784	2.9
104.34706	2.8
105.07030	6.3
107.08610	34.5
109.06536	3.5
109.10114	4.6
117.07025	6.1
121.06513	10.4
121.10175	3.4
127.03895	2.9
131.08684	3.2
133.10155	18.7
135.08060	9.8
135.11699	100.0
139.07529	8.2
142.77962	2.4
146.12328	2.6
149.02287	2.8
149.13319	12.0
153.09102	4.3
159.11700	16.0
177.12752	53.5
181.08606	3.3
195.10182	37.3
195.13812	71.1
234.96841	2.6
241.08299	2.5
284.56012	2.5
339.60812	2.7
354.60898	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14151	1.1
53.03945	1.3
54.15911	1.4
55.01877	2.1
55.05482	1.1
56.96576	7.2
57.03431	3.0
59.04986	1.3
68.55593	1.3
69.03429	7.9
69.96944	6.0
71.04987	1.4
73.02929	1.8
79.01833	1.3
81.03412	7.1
82.99846	2.9
83.04970	2.0
85.02902	15.8
86.09704	8.3
95.02454	16.5
97.02897	21.6
98.97582	12.1
101.00879	17.1
109.02878	5.8
110.97542	2.7
113.00904	3.2
113.03496	100.0
115.02423	3.1
116.98605	6.9
118.05072	1.6
119.01931	34.0
127.03920	12.8
128.98607	5.4
129.03961	2.7
131.00204	2.3
131.01909	17.7
131.05547	6.2
133.03500	8.3
134.99635	2.4
137.00772	2.0
137.02963	3.4
138.05502	3.0
141.03983	2.3
143.01907	69.6
144.02074	1.8
145.01665	1.4
145.03467	8.0
145.04659	1.1
146.99664	3.0
147.05048	2.0
149.01192	1.6
149.02911	1.7
149.06610	10.0
153.01833	29.7
153.02917	1.0
154.02115	2.4
155.01892	22.8
155.05554	2.2
156.02562	1.8
157.03445	4.4
158.99612	4.1
159.05048	8.3
161.01511	2.8
161.02965	88.8
162.03023	2.3
163.02704	1.6
163.04597	1.5
169.03416	3.5
169.07001	1.3
171.05058	4.0
173.02971	25.1
173.06612	23.4
175.02919	1.2
175.04503	5.0
177.00682	3.8
177.04553	1.7
177.06039	6.0
184.04568	3.6
185.02882	2.4
185.06619	25.6
187.02936	1.7
187.04536	18.3
187.08102	4.2
188.74149	1.5
189.00536	2.0
189.04359	2.2
191.07593	6.0
197.06555	1.9
198.98555	1.8
199.08217	2.5
201.00670	1.9
201.06093	5.2
203.04001	7.4
203.07651	11.6
205.03841	2.0
205.05521	7.6
205.09351	1.5
213.05965	1.6
215.07617	13.3
217.05571	2.7
219.01694	6.0
221.05096	17.7
222.05052	2.4
227.07655	2.5
229.05545	3.7
231.07230	2.6
233.08730	3.0
237.02829	10.5
239.06648	34.2
245.08717	4.6
255.03918	1.7
257.08441	3.7
259.02307	3.3
261.08267	1.9
263.06168	2.7
273.08255	1.8
275.09763	27.7
277.03455	4.2
279.03958	1.4
291.09183	2.4
293.10818	82.7
294.11072	1.8
303.01364	3.2
303.05487	1.4
307.08731	4.8
307.96692	1.6
316.12408	3.0
316.99063	1.7
351.05853	3.7
375.11365	8.4
393.12521	72.4
394.12549	2.9
403.00934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2844
Annotation	3-Hydroxyirisquinone
Peak:m/z	Relative Intensity
53.03939	0.3
55.01860	0.6
55.05268	0.2
55.05516	4.0
57.03406	0.2
57.06828	0.2
57.07079	2.2
57.94445	0.2
65.03946	0.3
67.01868	1.7
67.05510	2.7
68.99782	1.7
69.03427	1.5
69.06723	0.3
69.07076	4.6
69.32983	1.4
69.33396	0.3
71.08636	1.1
79.05515	1.2
81.03407	0.5
81.07060	2.6
83.01334	0.4
83.04974	0.4
83.08625	2.8
85.02898	0.4
85.10177	0.6
89.06002	0.2
91.05466	0.6
93.07032	1.1
95.04960	0.3
95.08614	2.4
97.02895	0.8
97.06544	0.8
97.09730	0.2
97.10188	2.0
98.20991	0.8
105.07004	0.2
107.08624	0.9
109.02857	0.3
109.06531	0.3
109.10167	1.4
111.00784	1.2
111.04411	1.2
111.08057	0.3
111.11713	1.1
119.04947	0.6
121.06481	0.2
121.10178	1.0
123.04459	2.1
123.11684	0.6
125.02398	0.2
125.05994	0.4
127.03928	5.6
135.11707	1.1
137.05980	2.1
137.13231	0.2
139.03911	17.3
147.04442	0.2
149.02357	0.8
149.06027	0.2
149.13287	0.6
151.03969	0.4
151.14835	0.2
153.01837	100.0
154.02176	1.1
154.40811	0.2
155.03409	5.0
163.03937	1.3
163.14857	0.2
165.05490	3.4
165.16463	0.3
167.03374	0.5
167.07103	0.3
169.04970	0.6
171.02875	1.4
177.05461	0.8
179.07056	0.3
181.04958	4.6
188.82721	0.2
191.07062	0.9
193.08620	2.0
195.06592	0.9
205.08620	0.5
207.10080	0.2
209.08070	0.5
223.09694	0.2
237.11192	0.2
247.24237	1.2
251.12729	0.3
265.25293	0.6
265.76846	0.2
268.60034	0.2
293.17459	0.2
307.26440	0.2
321.20554	0.2
335.22079	0.3
346.85825	0.2
353.73605	0.2
372.61325	0.2
373.27353	1.5
391.28439	23.1
392.28775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2842
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
53.03937	0.5
55.01867	0.5
55.05515	3.0
56.78620	0.2
57.03431	0.3
57.07077	1.6
65.03898	0.2
67.05506	2.5
69.03415	0.4
69.07069	3.4
71.08604	0.6
71.29025	0.4
79.05486	2.3
81.07062	2.4
82.66216	0.2
83.01334	1.6
83.04974	0.3
83.08615	2.4
85.10157	0.3
89.06014	0.4
91.05470	0.5
93.07049	1.5
95.04948	0.6
95.08617	2.3
97.02891	1.2
97.06526	1.3
97.10167	1.5
105.07021	0.4
107.04962	0.9
107.08576	0.9
109.06516	0.9
109.10158	0.9
111.08074	0.4
111.11727	0.6
119.08557	0.5
121.06456	0.3
121.10149	1.6
123.11712	0.9
125.05989	1.2
127.07539	0.8
135.04425	0.5
135.11708	1.4
137.05984	1.2
137.13249	0.4
139.07535	1.4
140.12032	0.2
147.08026	1.1
149.02391	1.1
149.13251	0.4
151.07524	2.0
153.05457	1.0
153.08946	0.2
155.07036	5.8
157.10390	0.2
159.11703	0.2
163.07457	0.3
163.14742	0.4
165.09122	0.7
167.07039	10.9
175.07571	1.0
177.05531	0.4
177.09042	0.3
179.03362	0.5
179.06982	0.3
181.04955	100.0
181.88387	0.2
182.05273	1.5
183.06554	2.7
191.07011	1.4
193.08617	1.8
195.06511	0.3
197.08119	0.3
199.06068	0.3
205.08586	0.5
209.08080	2.0
219.10226	0.4
219.21094	1.3
221.11687	0.9
223.09671	0.8
237.11162	0.2
237.22147	0.6
266.83472	0.2
332.59692	0.2
360.13992	0.2
361.14532	0.2
373.27341	1.3
375.16055	0.3
376.16794	0.7
390.18219	0.2
391.19788	3.9
391.28403	28.3
392.19992	0.4
392.28622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01868	1.6
55.05513	6.9
57.03417	0.4
57.07078	6.3
65.03941	0.8
65.72325	0.4
67.05173	0.6
67.05513	8.5
68.99800	0.4
69.07069	12.0
71.08636	3.0
79.05491	5.0
81.03413	1.5
81.07059	8.1
83.01353	3.4
83.04986	2.1
83.08627	7.0
85.02908	0.8
85.06538	1.5
85.10175	1.4
91.05499	2.1
93.07052	5.4
95.04982	0.8
95.08611	7.9
97.06541	2.6
97.10180	3.8
99.04440	0.7
100.18667	0.4
101.02402	0.5
105.07018	1.3
107.04922	0.7
107.08603	4.8
109.02888	2.1
109.06515	1.0
109.10162	6.1
111.04446	0.9
111.05573	0.4
111.11707	1.4
113.02381	0.9
115.03928	0.7
117.07004	0.5
119.08584	1.4
121.06510	0.5
121.10161	7.4
123.04432	1.4
123.08051	0.8
123.11688	2.2
125.04081	0.4
125.05977	0.8
127.03924	13.0
131.08597	0.8
133.10104	1.0
135.08061	0.6
135.11700	3.0
137.05951	0.9
137.09584	0.7
137.13231	1.2
139.07506	0.5
139.11136	0.4
141.05479	8.0
147.11746	0.8
149.02333	3.2
149.09627	0.8
149.13260	1.8
151.07497	1.0
151.11168	0.6
153.05441	0.9
155.07091	0.7
165.05504	1.0
165.09148	1.5
167.03412	100.0
168.03769	1.1
169.08655	1.0
173.13271	0.7
177.09111	1.4
181.04994	0.9
183.06514	1.5
183.10164	4.3
191.17996	2.5
193.12225	0.6
195.10188	1.7
197.11703	1.7
207.21165	0.5
209.04451	0.9
209.11760	0.6
211.13342	1.2
219.13806	0.4
223.13365	0.9
225.14886	0.6
225.22182	1.7
233.15405	0.7
237.14857	1.0
239.16422	1.5
251.16476	1.1
251.20213	1.1
253.18082	1.6
265.18051	1.4
267.19730	1.0
279.19501	0.8
281.21249	0.6
293.21191	0.8
306.16037	0.5
307.22693	0.5
349.26837	0.5
373.23654	0.8
373.31143	1.0
391.24384	2.2
391.32126	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	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
55.05506	14.1
57.07076	7.5
65.03927	3.7
67.05509	56.7
68.99750	4.1
69.07065	13.9
69.78852	6.8
69.79259	12.4
71.04988	4.1
71.08626	5.2
79.05516	28.1
81.06602	2.7
81.07059	57.5
82.21846	3.0
83.08594	3.9
85.02855	3.2
91.05488	11.2
93.07040	28.4
95.04982	6.9
95.08611	49.0
95.22739	3.3
97.06549	4.0
97.10220	4.0
98.20840	6.3
105.07021	9.5
107.08611	17.7
109.06505	3.3
109.10148	27.3
112.87553	3.0
117.07042	4.0
119.08595	12.7
121.02823	3.6
121.06518	3.2
121.10129	16.0
123.04443	7.8
123.08098	4.2
123.11718	13.3
125.06087	4.8
131.08553	11.2
133.10147	12.1
135.11710	18.4
137.09660	3.8
141.05476	38.5
144.57913	3.3
145.10133	7.3
147.11696	7.9
149.02345	42.3
149.13251	10.9
151.07520	7.8
153.05455	36.6
155.01062	4.4
159.11679	4.7
167.03406	100.0
167.07076	8.3
173.13274	5.9
175.14832	3.8
177.05505	4.2
179.07060	11.1
187.14766	6.8
189.16399	13.8
191.17917	5.6
207.10081	6.6
215.17990	8.2
233.18944	7.5
241.19673	3.4
275.96967	3.2
373.23978	3.9
381.27362	3.4
391.28839	5.2
391.33350	18.7
402.76688	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.248
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
55.05511	20.7
57.07075	11.2
66.82247	5.8
67.05510	63.1
67.97636	5.1
69.07066	19.0
69.36095	45.9
71.08639	10.9
79.05504	30.7
81.07056	76.5
83.04990	9.2
83.08641	8.0
91.05483	15.4
93.07058	33.9
95.04970	7.2
95.08607	68.7
97.06534	6.6
97.10156	4.8
105.07053	19.1
107.08578	31.3
109.06478	7.3
109.10163	33.7
111.04440	7.3
111.11718	6.1
112.19192	4.6
119.08594	22.4
121.09355	6.4
121.10137	33.3
123.11713	14.8
125.05973	7.4
131.08580	18.0
133.10133	23.7
135.11717	21.7
137.13222	11.1
141.05464	42.4
143.08611	7.9
145.10101	15.8
147.11678	9.6
149.02353	64.5
149.09543	4.8
149.13239	11.5
153.01817	7.9
153.05455	31.2
159.11697	14.1
159.83684	5.3
163.14760	6.7
166.57129	4.9
167.03423	100.0
167.07065	13.3
169.10129	6.2
171.11685	12.6
173.13289	10.3
177.09135	14.2
179.07019	8.7
181.05009	6.1
187.14864	13.6
189.16422	20.3
191.17972	6.1
195.06505	9.3
201.16458	14.6
209.07936	6.0
213.16451	9.3
215.17882	10.8
229.29161	4.7
233.18973	9.7
235.09747	5.6
241.19711	5.9
251.20262	5.3
355.22470	6.1
391.33600	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	391.248
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
55.01832	3.1
55.05519	17.0
55.24127	2.2
57.03424	7.0
57.07079	32.6
66.36350	2.4
67.05507	34.6
69.07068	20.0
69.80586	11.3
69.81007	4.8
71.01357	4.9
71.04987	3.1
71.08629	17.3
77.51630	2.4
79.05492	19.8
81.07053	44.2
83.01339	3.5
83.04977	3.1
83.08617	10.7
85.06538	4.0
85.10188	63.2
91.05473	11.0
93.07053	28.2
94.30959	2.2
95.04983	5.7
95.08604	42.9
97.10181	3.5
98.21413	3.2
99.04461	2.9
99.08105	19.4
105.07045	11.6
107.08601	12.8
109.10148	15.1
111.04462	4.1
111.08093	2.5
113.05995	3.3
113.09650	97.4
117.06999	3.2
119.08565	11.4
121.10151	31.0
123.04429	9.9
123.08085	4.1
123.11686	10.8
126.03099	3.1
129.07037	4.4
131.08580	6.0
133.10129	4.3
135.11725	22.8
137.09619	4.5
137.13168	2.9
139.11160	17.3
141.05475	99.4
141.12764	21.5
143.08560	2.5
145.10139	7.4
147.11700	4.1
149.02345	18.8
149.13280	6.2
151.07556	3.4
153.05486	9.6
153.12801	4.6
155.10675	100.0
157.10133	6.0
159.11696	9.9
167.03403	79.4
167.07127	3.6
169.10202	3.7
171.11649	4.9
173.13240	4.2
177.05490	4.2
177.16315	3.9
183.11710	5.9
185.13239	4.8
187.14821	8.4
191.18039	3.5
193.99886	2.8
195.06421	2.7
197.13283	3.5
201.16411	14.7
203.10777	3.5
203.17932	3.5
205.19435	3.9
211.14798	4.3
213.16420	8.7
215.17940	6.0
221.92731	2.3
223.14790	3.7
223.20575	19.4
225.16368	4.4
227.17996	12.9
233.18968	7.2
241.19502	2.7
251.20065	42.3
253.19545	5.8
267.21066	5.4
281.22586	4.0
365.43842	3.0
381.83163	2.4
391.28683	5.3
391.33499	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
55.05504	7.3
57.07079	79.2
64.96948	1.8
67.01855	2.4
67.05222	2.2
67.05512	22.5
68.99768	2.1
69.07053	6.7
69.29962	5.4
69.30378	10.6
71.08635	73.8
72.65865	1.7
79.05496	10.7
81.03424	3.5
81.07065	47.2
83.08595	4.3
85.06561	2.7
86.11994	1.7
91.05473	4.9
93.07047	15.4
95.04949	6.5
95.08602	9.8
97.06527	1.6
97.10180	2.1
98.03661	2.3
98.21114	8.4
105.07011	6.0
107.08582	6.8
109.10149	5.3
111.04458	2.1
111.08097	3.0
119.08570	3.5
121.06520	2.5
121.10146	6.6
123.11716	15.7
133.10115	4.7
134.98286	1.7
135.08066	4.9
135.11642	3.7
139.03860	1.7
139.07523	2.3
141.05472	98.1
141.12750	100.0
147.11661	1.7
149.02368	18.3
149.09590	2.5
149.13264	2.5
153.05457	7.7
159.13882	2.3
167.03410	88.3
167.07022	13.8
170.02065	3.1
177.05498	6.3
181.04984	2.5
182.16789	1.7
183.13786	3.3
188.47523	1.7
191.18019	2.6
205.19534	4.7
215.17952	3.1
217.08644	3.8
223.20532	11.5
233.18964	4.7
251.20073	39.2
271.61581	2.0
377.34940	2.1
391.24704	5.6
391.33218	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	391.2478
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
55.05499	7.6
56.33213	1.7
57.03423	6.7
57.07079	22.7
67.05505	16.1
68.99790	3.9
69.07102	7.9
69.81462	9.9
71.01344	2.8
71.04985	2.5
79.05486	8.1
81.07062	19.6
83.08621	2.4
85.10189	54.4
91.05474	4.1
93.07041	11.9
95.04968	3.4
95.08613	16.7
97.06516	1.7
98.21370	3.7
99.04459	2.5
105.07030	3.7
107.08600	4.0
109.10158	4.6
113.06025	1.7
113.09650	81.1
119.08533	2.1
121.10160	15.3
123.04424	3.2
123.08046	5.1
123.11694	4.2
126.03136	2.0
129.53934	1.5
135.11725	3.1
139.11194	18.3
141.05476	100.0
141.12744	14.1
149.02310	2.3
152.01044	2.2
153.05449	10.2
155.10686	62.7
159.60919	1.7
167.03416	52.2
167.07059	1.9
167.14394	1.6
177.05379	2.1
198.96208	1.7
205.19531	3.9
223.20621	17.2
233.18997	5.9
251.20094	28.2
404.76080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05518	3.4
57.03438	0.8
57.07077	10.6
67.05512	9.3
68.81264	0.6
69.07079	3.7
69.88969	1.4
69.89396	2.7
71.08618	1.8
78.03455	0.6
79.05499	4.0
81.07058	15.3
83.01330	2.8
83.04994	1.3
83.08609	1.8
85.06543	1.6
85.10183	13.4
89.06049	0.8
91.05476	4.4
93.07046	7.0
95.04964	2.8
95.08608	12.5
97.06536	1.1
97.10191	1.3
98.20787	0.9
98.21358	1.2
99.08075	0.8
105.07030	5.5
107.04947	1.1
107.08606	5.5
109.06520	2.4
109.10177	4.4
111.04484	1.1
111.08069	0.9
113.08877	1.1
113.09654	19.4
116.91937	0.6
117.07015	1.6
119.08584	2.8
121.06470	1.3
121.10141	4.5
123.08060	6.0
123.11699	2.3
125.05983	1.4
127.07549	2.5
131.08539	3.4
133.06517	0.8
133.10126	3.0
135.08066	1.2
135.11676	1.8
137.13251	1.6
139.07544	1.4
143.08548	1.5
144.03102	0.9
145.10139	2.7
147.11720	1.8
149.02354	7.6
149.05956	0.9
149.09612	1.0
149.13261	1.0
149.61490	0.6
151.07545	29.4
153.05536	1.6
153.09201	0.8
157.10185	1.7
159.11691	2.9
161.09668	0.9
161.13240	2.0
162.00487	0.7
163.07547	1.3
163.14789	1.4
167.03508	1.6
167.07057	2.5
167.10741	0.9
169.08611	100.0
170.08939	1.1
171.11684	2.3
173.13303	1.2
175.14787	1.4
177.05553	1.0
177.12749	0.7
177.16399	1.2
181.08592	1.6
183.11739	1.3
185.13298	1.2
187.14819	3.5
189.16403	0.8
191.17880	0.9
195.06548	9.0
195.17453	7.3
197.13312	1.0
199.14819	0.8
201.16362	1.5
205.15875	1.6
207.77383	0.7
211.14709	0.8
213.07547	2.6
213.16434	1.4
215.17897	1.0
223.16927	7.2
230.09424	1.0
233.11804	1.4
239.17970	1.2
245.11723	5.8
247.17020	1.0
261.14877	7.3
267.20956	1.3
279.15942	2.4
281.22592	0.8
295.24216	1.8
355.22586	2.4
355.26544	1.3
373.23694	10.3
391.24612	15.4
391.33408	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	391.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01869	3.8
55.05504	15.9
57.07067	7.2
67.01888	4.6
67.05505	77.9
68.99773	6.2
69.03424	4.8
69.07066	12.0
69.11761	2.4
69.69680	4.4
69.70106	14.1
71.04979	3.2
71.08624	7.2
79.05490	44.2
81.07056	92.5
83.04979	3.1
83.08617	7.9
86.72433	2.7
91.05484	26.5
93.07046	51.7
95.04967	6.7
95.08607	72.4
97.02894	3.5
97.06539	5.3
97.10153	3.6
98.21267	8.5
105.07030	23.1
107.08596	41.4
109.06560	3.4
109.10159	33.6
117.07021	11.8
119.08606	21.0
121.02850	3.3
121.06537	2.8
121.09309	4.5
121.10147	44.9
123.04455	3.7
123.11706	15.3
127.03915	17.2
128.04170	3.6
129.07042	5.2
131.08571	17.4
133.10110	13.6
135.08075	4.6
135.11734	14.5
137.05991	6.6
137.13298	4.5
139.03908	34.8
143.08568	9.5
145.10132	23.8
147.11667	8.1
149.02359	27.5
149.13275	8.8
151.03868	3.4
151.07617	3.0
153.01833	100.0
153.05447	3.9
155.03465	3.1
155.07033	36.7
157.10103	13.6
159.11685	22.3
161.13245	20.1
163.03850	4.9
163.11269	2.8
163.14801	22.2
165.05478	7.8
167.03395	5.4
167.07024	9.7
169.10101	7.4
171.11734	5.1
173.13254	8.5
175.14859	4.1
177.16345	7.5
181.04976	43.4
181.10081	3.0
183.11707	3.6
185.13402	5.9
187.14787	23.1
189.16411	2.8
191.06985	3.8
193.08617	7.6
197.13298	4.5
199.14792	2.9
201.16350	5.3
205.15904	7.2
213.16418	4.8
215.17804	3.4
239.17824	3.7
241.19598	3.4
253.19748	3.6
267.21109	4.0
295.24142	17.7
313.18176	6.5
313.21530	6.0
321.26077	2.9
331.19006	6.8
341.21179	7.8
373.23566	3.1
391.24860	10.0
391.29388	3.2
391.33545	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	391.2114
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
50.83216	1.7
52.77122	1.6
55.05516	9.0
57.07084	10.6
58.52548	1.5
61.45156	1.5
67.05508	17.4
68.99786	2.2
69.03442	1.7
69.07079	4.0
69.66022	7.2
71.08631	13.5
77.68835	1.6
79.05492	12.4
81.03460	1.7
81.07062	21.7
83.01331	2.3
83.04980	2.5
83.08598	1.9
91.05483	6.2
93.07056	13.3
93.54551	1.6
95.04987	2.9
95.08627	10.2
97.03001	1.5
105.07036	6.1
107.08604	10.8
109.10173	5.8
119.08582	5.8
121.10181	11.2
123.11722	4.6
127.03916	5.5
131.08578	3.7
133.10132	4.9
135.11708	3.8
137.06001	2.2
139.03882	8.0
141.12749	8.6
145.10121	7.3
147.11690	2.6
149.02364	12.1
153.01836	100.0
158.10919	2.0
159.11696	3.1
161.13286	4.0
163.14856	9.6
165.05447	2.2
167.07071	2.3
175.14864	2.3
177.58540	1.8
180.98047	1.5
181.04982	7.1
187.14789	8.1
191.07082	1.8
192.04222	7.2
193.08583	2.4
193.12268	3.0
195.06577	2.6
201.16463	2.3
205.05019	2.4
205.15865	2.0
217.04980	3.6
233.08084	11.4
235.06039	18.9
239.20100	3.8
241.31328	1.9
285.02951	1.7
295.24402	1.9
313.17780	2.4
320.37790	1.6
331.19098	3.8
334.28012	1.9
373.20056	5.2
391.21149	28.9
391.33356	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	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
57.03413	1.9
57.07051	2.0
58.34325	1.8
58.97558	1.8
66.70709	2.0
69.03419	3.1
71.08638	3.1
71.14549	3.8
71.29572	1.8
79.05490	3.2
81.03416	3.0
83.04953	2.3
91.05489	8.9
93.07044	2.6
97.02888	2.5
98.21066	3.3
101.82428	2.1
103.05477	3.2
105.07035	7.6
107.04939	5.1
107.08654	2.5
109.02886	2.7
109.06544	2.4
119.04919	5.2
119.08543	2.2
121.06496	6.3
121.87518	2.0
123.04408	2.6
127.03983	2.4
128.06259	2.3
129.07028	4.8
130.06525	2.9
131.04944	4.7
131.08575	3.7
137.05989	6.7
142.64537	2.0
145.06575	2.3
146.07275	7.4
147.04419	2.6
148.05272	4.5
149.01266	3.0
149.02359	24.1
149.05988	2.7
151.07564	4.9
161.05992	100.0
161.09631	25.6
163.07588	4.0
167.03392	2.3
167.07051	22.7
174.06773	6.1
175.07541	7.9
181.08675	12.4
189.09100	55.3
191.07108	3.2
192.44447	2.3
207.10173	52.1
219.10146	3.5
285.11362	4.5
297.07785	2.3
317.13712	3.8
343.15250	4.1
361.16312	2.7
384.16870	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	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
64.96429	1.3
65.03967	1.8
71.08658	1.7
71.56875	2.4
79.05482	3.9
81.07050	5.3
83.04967	2.0
85.21544	1.4
90.45034	1.3
91.05490	7.8
93.07053	2.9
95.04983	2.8
95.08625	1.8
102.65614	1.4
103.05469	4.6
105.07041	7.0
107.04947	5.7
107.08606	1.9
110.82851	1.5
115.05505	1.8
117.07053	2.8
119.04951	4.5
119.08595	1.6
121.06513	5.6
121.10193	1.8
123.04424	2.9
128.06158	1.9
129.07018	7.3
131.04932	5.5
131.08543	4.1
133.06516	3.7
133.10056	1.5
135.08051	2.3
137.05972	4.0
145.06441	2.5
145.10194	1.7
146.07304	5.7
147.04414	5.7
148.05194	3.8
149.02370	12.9
151.07568	4.2
157.06488	3.8
161.05997	100.0
161.09619	26.4
163.07521	4.3
165.06908	1.5
165.09154	1.6
167.07060	21.1
174.06863	3.4
175.07504	7.0
177.09187	2.3
180.07944	1.7
181.04799	2.1
181.08632	8.7
183.65974	1.4
189.09131	54.6
191.07018	3.6
207.08249	3.9
207.10190	59.7
208.10619	1.7
210.06425	1.7
219.10127	2.3
219.34241	1.6
229.52780	1.7
241.08763	1.9
283.09583	1.9
283.13196	1.8
285.11166	4.6
315.12152	2.5
317.13870	3.5
343.15472	2.6
358.29279	1.4
361.16638	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	391.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.0
55.05502	11.7
57.03444	16.2
57.07080	17.0
59.04983	3.1
67.05508	23.2
68.72374	3.0
69.07060	8.7
69.24668	9.3
69.25081	25.2
70.46735	3.1
71.08636	26.6
72.05359	3.0
79.05508	21.6
81.07060	37.8
81.23611	3.1
83.01344	4.0
83.04991	12.4
83.08611	3.3
85.02936	3.2
91.05512	16.3
93.07056	20.3
95.04980	4.4
95.08616	21.2
97.02915	4.7
97.06529	7.9
98.21258	14.1
99.04463	2.9
105.07024	27.0
107.08608	25.3
109.10155	15.5
110.56097	3.8
117.06994	6.9
118.29635	2.9
119.08589	17.5
121.10136	17.8
122.78604	3.0
123.08105	3.6
123.11727	6.1
125.05975	9.4
127.03969	5.0
128.06219	3.4
129.07039	6.7
131.08578	16.1
133.10118	15.8
135.11691	8.3
137.02325	3.8
137.13295	3.7
141.05383	4.3
141.12740	9.1
143.08578	7.9
145.10133	18.1
147.08006	7.1
147.11714	9.0
149.02356	53.3
149.05965	4.6
149.09528	4.2
149.13245	8.0
151.07567	4.1
153.01834	100.0
153.05434	30.6
155.08452	3.2
157.10146	8.7
159.11717	12.1
161.13269	12.0
163.14775	3.5
167.03436	10.2
167.07079	6.9
171.06598	6.0
171.11714	10.8
173.13261	7.5
175.14722	5.6
179.03333	4.9
181.04961	21.4
183.11676	5.0
185.13222	6.3
187.14819	12.2
189.16371	3.7
191.07025	8.6
192.04210	10.7
193.05025	3.6
201.16443	7.6
203.14278	4.0
207.06549	6.8
213.16576	4.5
217.05045	10.0
219.06520	5.8
219.13803	3.3
231.17563	3.0
233.08151	18.8
235.06033	38.0
239.20100	6.7
241.19603	3.5
257.07581	3.5
267.21234	5.0
283.13083	4.2
285.09851	4.4
293.22354	3.7
321.25845	3.7
329.32248	5.4
331.18994	4.9
337.18015	6.5
351.82883	3.3
355.19043	6.5
373.19818	24.3
373.23920	3.3
391.20767	50.5
391.24643	7.2
391.33722	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	391.1235
Annotation	Sagitol
Peak:m/z	Relative Intensity
51.02391	1.5
53.03936	1.4
61.51381	1.0
69.03434	3.2
70.54426	3.7
71.04982	1.7
72.06718	1.3
79.01852	4.5
79.74330	1.1
81.03436	7.0
85.02905	6.0
86.67314	1.2
89.06038	3.5
95.02460	2.6
97.02905	6.8
98.10735	1.0
98.20890	2.0
99.61563	1.2
107.01310	1.4
109.02893	6.3
113.02389	11.3
113.03503	3.3
125.02354	5.1
127.03928	11.4
137.05948	1.6
143.03404	9.4
145.04941	1.6
149.02354	18.4
153.01836	100.0
156.01653	1.3
171.02904	12.6
229.11888	5.6
231.05508	1.4
291.10345	2.9
297.06183	3.2
315.07034	6.8
388.88208	1.1
391.08133	2.7
391.15738	80.0
392.16119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07909	3.2
55.05512	4.2
57.03442	4.3
57.07092	6.2
67.05502	7.0
68.47748	3.6
69.03427	7.2
69.07088	3.7
69.40752	6.6
69.41159	23.3
71.08622	4.1
75.52464	3.1
79.05493	5.5
81.03413	7.1
81.07049	14.1
83.05000	8.5
85.02930	8.2
85.06538	7.1
91.05481	21.9
93.07048	10.5
95.08579	3.5
97.02924	4.9
97.06547	3.6
98.21378	12.3
99.08089	6.4
103.05473	6.6
105.07057	7.5
107.04971	13.9
109.02866	3.9
109.06524	4.6
111.04457	4.6
119.08539	4.4
121.02873	3.7
121.06496	11.4
123.04419	5.8
123.08057	4.4
127.03914	4.6
128.06195	3.4
129.05496	12.6
129.07045	5.2
131.04939	4.1
131.08528	8.1
137.05960	19.0
146.07280	7.7
148.05211	7.7
149.02353	44.9
149.05957	7.9
149.09554	3.7
151.03952	6.1
151.07515	6.1
157.06505	4.9
159.35562	3.9
161.05998	100.0
161.09593	28.6
163.07495	7.8
165.09193	4.3
167.03458	5.3
167.07059	25.0
173.20961	3.2
174.06790	5.4
175.07634	5.7
177.05394	5.7
180.07819	3.9
181.08617	16.1
189.09129	62.3
192.76309	3.5
207.10188	65.5
219.06422	4.3
219.10072	4.4
253.08316	4.9
264.16812	3.8
285.11136	3.8
297.07053	3.5
361.16254	10.3
391.13934	7.7
395.54825	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	391.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.05504	2.1
57.07069	2.1
67.05502	2.9
69.03412	2.6
69.42914	12.2
71.04976	1.6
71.08630	2.0
73.06532	1.8
79.05499	4.3
81.03411	2.5
81.07040	6.8
83.05000	2.7
85.02923	3.8
91.05472	9.8
93.07076	2.9
95.04951	5.0
95.08599	3.6
97.02866	2.4
98.20913	6.5
99.08095	4.0
103.05457	3.3
105.07030	7.3
107.04967	6.9
107.08569	2.3
109.02863	2.4
111.04447	2.8
119.04942	3.9
121.06456	5.2
123.04398	3.9
127.03918	3.3
128.06290	2.3
129.05493	2.6
129.06981	5.3
130.06499	2.7
131.04906	3.9
131.08606	2.8
133.06534	2.1
133.10101	2.3
135.04416	2.3
135.08095	1.8
137.05984	10.4
146.07272	3.0
148.05190	4.3
148.31822	1.7
149.02350	18.7
149.06020	2.6
149.09688	2.1
151.03929	3.0
151.07524	3.6
153.05428	2.8
157.06511	2.3
159.09216	3.9
161.06000	100.0
161.09641	21.7
162.06569	1.8
163.07532	6.1
166.05026	2.0
167.03450	2.2
167.07066	19.0
174.06830	4.4
175.07545	6.4
179.07024	3.0
180.35046	1.9
181.08621	9.3
189.09131	48.6
191.06950	4.4
201.10405	2.4
207.08214	3.4
207.10191	58.0
285.10968	4.4
317.13696	3.5
343.15567	2.8
361.16501	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	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
56.05018	3.3
69.03435	3.7
69.65236	9.0
70.06596	10.6
71.06937	2.4
79.05497	8.0
84.04489	2.5
85.02899	9.2
88.08478	1.3
88.60288	1.4
91.05471	5.5
97.02896	3.0
98.20952	4.3
103.05484	8.3
105.03387	1.6
105.07041	57.4
109.02858	2.7
113.03485	1.9
115.05466	10.9
118.04149	4.9
119.04919	1.8
123.04423	4.6
127.03948	3.0
131.04910	2.7
133.06500	49.5
137.05986	5.0
138.05516	7.3
138.09157	3.4
143.06050	3.3
144.06496	1.9
145.04980	3.6
147.04395	3.9
161.05994	100.0
165.05447	2.1
166.08653	8.1
167.07056	1.5
177.05467	6.2
178.05804	2.4
180.06259	2.1
180.08649	2.5
182.02840	1.6
193.08621	68.0
211.09616	5.2
220.09654	2.6
228.03223	3.6
229.11977	2.2
262.51349	1.6
369.47446	1.5
390.16794	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	391.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
57.07069	3.1
64.54047	1.1
69.03442	2.7
71.08617	3.6
71.56849	1.9
73.06554	4.0
76.75497	1.2
79.05466	2.0
81.03426	1.9
81.07050	1.3
83.04964	2.0
85.02895	3.8
91.05477	6.8
98.20890	1.4
103.05462	2.4
105.07020	3.8
109.02877	1.2
111.04461	2.8
113.02330	1.8
113.03513	3.0
119.08574	1.5
121.02877	2.4
121.06470	1.8
123.04396	1.6
125.02312	1.5
127.03905	2.0
128.03488	1.8
128.06252	3.7
129.03844	1.6
129.05518	1.5
129.06990	11.4
131.04945	3.6
131.08528	1.5
133.06453	2.4
135.08061	9.1
137.05991	3.5
145.06528	1.9
145.10182	2.0
146.07256	2.5
147.04408	2.4
147.08058	3.8
148.05170	5.8
149.02356	32.2
149.06056	2.2
153.01871	12.5
153.03009	2.0
157.06490	8.3
161.05998	33.8
161.09634	3.5
163.06279	2.8
163.07556	33.6
163.63380	1.5
164.08139	2.5
165.05537	1.6
165.09103	5.2
167.03391	2.4
174.06787	4.4
175.07486	1.6
179.07040	3.0
189.05473	51.0
189.09096	30.9
191.07056	7.8
203.06964	1.6
207.06819	1.5
207.10173	37.5
208.10785	1.6
217.08603	32.9
229.11839	4.9
235.09660	100.0
236.10106	2.1
248.00308	1.4
253.10744	2.8
291.10455	2.3
316.80881	1.3
391.10861	3.2
391.15710	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.9
69.03423	3.4
71.04992	2.5
71.08647	0.9
71.17605	0.7
71.55926	1.5
79.01843	2.5
81.03429	4.5
81.07037	2.1
85.02896	5.0
87.36393	1.1
89.06034	5.1
89.80517	0.7
93.07018	1.3
95.02459	1.8
97.02894	5.6
107.01311	1.2
109.02887	5.9
113.02371	15.7
113.03494	3.7
123.04448	0.8
125.02356	6.1
127.03899	7.7
137.05994	0.8
143.03409	8.7
145.04965	2.3
149.02353	10.0
153.01837	61.8
153.02867	2.4
154.02090	0.8
160.04471	0.8
161.06009	0.9
171.02890	6.9
189.05330	0.7
190.43221	0.7
229.11819	5.1
235.09688	1.9
289.63443	0.8
291.10562	4.9
297.05969	2.2
315.07031	4.4
391.15717	100.0
392.16000	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	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	1.2
53.03938	4.0
55.01887	1.3
57.03416	2.2
64.51385	1.0
69.03429	10.9
70.06597	1.7
71.04959	1.3
71.56625	1.7
73.50759	1.2
77.32494	1.0
78.03461	13.2
79.01838	1.1
80.05001	3.2
81.03426	18.8
83.06125	1.5
85.02913	13.4
87.04454	1.8
91.05534	1.2
94.06567	1.6
96.04499	5.8
97.02896	5.9
99.04436	3.2
105.05518	1.2
105.07084	1.0
106.02922	55.5
109.02901	14.3
110.05998	1.3
113.06009	1.3
118.06617	1.2
122.06039	2.8
124.03961	100.0
125.04353	1.2
127.03951	8.7
128.04568	4.3
139.03906	1.9
140.07047	7.2
153.01843	4.7
154.08618	2.2
166.05048	1.6
180.07806	3.7
195.10036	1.3
210.11066	2.2
211.14417	3.0
228.08675	1.3
228.12305	12.0
229.15532	1.8
232.06023	3.9
235.09634	1.5
243.07974	3.4
250.07143	19.1
254.05234	1.3
268.08173	57.7
269.08545	1.8
273.06400	1.2
368.10275	1.3
384.15576	1.3
390.13617	4.7
391.20520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36122	3.4
61.43392	3.3
69.03440	6.5
71.01788	8.7
71.57691	3.2
79.05501	6.4
81.03451	4.0
81.07027	5.4
85.02905	15.8
89.57824	3.7
91.05475	8.1
95.02467	4.5
97.02874	7.1
98.20956	4.8
100.27863	4.0
105.07039	45.7
107.04958	6.3
111.48506	4.6
113.03482	23.9
114.03821	7.1
115.05469	9.6
119.04874	5.8
124.07584	10.9
128.03444	13.7
133.06491	46.7
137.05969	13.4
142.08618	5.0
143.06015	5.2
144.52994	3.4
147.08067	3.6
161.05988	100.0
175.07552	4.6
190.06015	3.7
192.10301	4.7
192.68866	4.0
193.08609	67.6
210.11359	4.1
211.09697	11.0
228.12347	19.0
229.11845	16.2
264.72681	4.0
271.04239	3.5
364.01425	5.0
367.62140	4.0
371.76105	4.1
373.15759	4.1
390.13358	4.1
390.18134	23.2
391.16739	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	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48247	0.5
53.03939	1.4
55.01865	1.1
55.05509	6.4
57.03431	0.6
57.07063	2.1
65.03948	1.0
65.31928	0.7
67.01867	0.6
67.05507	17.9
68.99795	4.7
69.07069	8.4
70.90135	1.6
71.04982	1.0
71.08617	1.1
79.05499	8.1
81.03410	1.5
81.07059	21.6
83.01311	0.6
83.04984	1.4
83.08619	5.2
85.06532	0.9
87.00821	0.6
91.05476	7.5
93.07056	10.4
93.82932	0.5
95.04974	1.2
95.08611	19.0
97.06533	1.6
97.10169	2.9
98.21054	0.7
99.04448	1.2
105.07018	4.4
107.08595	5.9
109.02885	1.3
109.06512	1.8
109.10155	8.2
111.00803	7.6
111.08072	1.3
111.11650	0.7
113.09661	0.9
117.07039	2.2
119.08585	5.4
121.06549	0.7
121.10149	6.7
123.08067	1.0
123.11710	4.2
127.03921	100.0
128.04230	0.7
129.07019	0.8
131.08586	2.4
133.10147	4.3
135.08055	1.0
135.11726	3.0
137.05954	1.5
137.09656	0.9
137.13260	1.1
139.03896	1.3
139.07518	0.8
143.08611	0.9
145.10117	1.1
147.08070	0.6
147.11716	2.9
148.61795	0.5
149.09673	0.5
149.13271	1.8
151.14812	0.8
153.01889	0.9
153.05540	0.5
153.09105	0.5
155.07095	3.2
157.10104	0.9
159.11674	0.7
161.13255	1.8
161.72369	0.6
163.14847	1.4
165.16486	0.7
165.73717	0.5
167.03453	1.1
167.07047	5.3
169.04953	1.3
173.13280	0.8
175.07574	0.7
175.14844	1.9
177.09142	0.7
179.17973	0.9
181.04974	2.1
189.09235	0.5
189.16403	1.5
191.07048	1.4
193.08665	2.0
199.14841	0.7
205.08629	1.0
217.15875	0.6
235.16969	0.9
242.39052	0.5
244.37706	0.5
245.22630	5.2
247.13304	0.6
263.23657	3.9
265.14380	1.0
279.15955	1.0
284.52292	0.5
293.17584	0.9
297.76477	0.6
307.19095	0.7
326.40042	0.5
371.22095	1.0
389.26849	3.5
389.31845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
50.55854	0.3
55.05509	0.3
57.07070	0.8
57.43122	0.3
62.64176	0.2
62.68920	0.3
67.01852	0.4
67.05516	0.4
69.07060	0.6
71.25260	0.4
71.96085	0.3
79.05482	0.5
81.07041	0.9
83.08628	0.3
88.60754	0.3
89.68623	0.3
93.07032	0.4
95.08614	0.8
98.21200	0.6
107.08593	0.4
123.04453	0.3
125.06050	0.3
137.05983	0.9
153.01831	4.1
164.04678	0.7
167.07083	0.7
179.03427	2.2
181.04881	0.5
191.10638	0.3
192.04184	16.4
193.04951	5.3
205.04976	12.9
206.05659	1.0
219.06563	0.9
220.07394	0.3
233.08192	0.6
247.09572	0.3
389.26871	100.0
390.27170	3.9
392.71274	0.3
395.71729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
53.03936	0.7
53.12823	0.2
55.01875	1.5
55.05513	9.7
57.07068	2.3
65.03931	0.8
67.01868	1.3
67.05506	13.6
68.99780	2.3
69.03424	1.9
69.07070	10.6
69.66925	1.7
69.86538	0.2
71.08620	1.1
74.07519	0.2
79.05491	5.0
81.03400	0.8
81.07059	15.0
83.01351	0.4
83.04976	1.4
83.08625	7.0
85.02905	0.3
85.10165	0.3
87.58225	0.2
91.05481	3.2
93.07054	5.6
95.04962	1.0
95.08611	12.1
96.08963	0.3
97.02898	0.9
97.06528	1.0
97.10171	4.0
98.20729	0.4
98.21314	0.7
99.04450	0.3
99.96307	0.3
105.07033	1.8
107.04958	0.4
107.08591	3.5
109.02874	0.3
109.06503	1.0
109.10159	5.8
111.00803	2.1
111.04441	1.9
111.11684	1.3
117.07017	0.3
119.04955	0.7
119.08596	1.9
121.10143	3.2
123.04427	3.2
123.08020	0.4
123.11705	2.5
125.05984	0.7
125.09647	0.4
127.03922	14.6
131.08522	0.4
133.10132	1.8
135.11711	1.6
137.05974	3.2
137.13257	1.3
139.03903	40.9
140.04242	0.6
141.05501	1.1
147.04384	0.8
147.11694	1.5
149.06003	0.8
149.13251	1.2
151.03903	1.3
151.14821	0.7
153.01831	100.0
153.05328	3.9
154.02165	1.1
155.03389	4.2
159.11688	0.3
161.06015	0.3
161.13260	1.0
163.03915	3.2
163.14851	1.0
165.01927	0.5
165.05484	6.9
165.16409	0.6
167.03392	1.8
167.07054	1.1
169.04948	0.6
171.02876	1.8
175.14827	0.8
177.05476	2.0
177.16464	0.3
179.03340	0.7
179.07054	0.6
179.17926	0.7
181.04962	8.0
181.08571	0.3
181.15802	0.3
183.02927	0.4
189.16396	0.4
191.06999	1.5
191.18024	0.3
193.05032	0.3
193.08614	6.5
195.06485	1.5
203.07042	0.8
205.08594	1.0
207.10138	0.6
209.08115	0.9
217.08702	0.7
219.10190	0.5
219.21075	4.4
221.22646	0.4
223.09712	0.7
231.10310	0.4
233.22678	0.5
237.11201	0.8
237.22040	0.5
245.11752	0.3
245.22649	3.7
251.12831	0.5
263.23669	2.2
265.14618	0.4
267.78452	0.3
273.15088	0.3
275.16321	0.3
277.17944	0.5
279.15848	0.3
291.16010	0.5
291.19476	0.6
293.17514	0.6
305.17365	0.7
305.21112	1.3
307.19153	0.6
319.19119	0.9
321.20566	0.3
359.14514	0.3
371.25818	4.2
389.26877	17.9
390.27148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02635	1.2
53.03942	1.6
55.05513	20.0
56.65599	1.4
57.07067	4.3
60.46242	1.2
65.03942	2.2
67.01895	1.6
67.05165	2.0
67.05510	30.1
69.07072	24.8
69.45997	5.6
69.46423	5.2
72.83412	1.4
74.32403	1.4
75.76355	1.2
78.62951	1.2
79.05499	10.8
81.07061	81.7
83.01347	3.3
83.08631	8.1
85.02914	1.6
91.05478	6.4
93.07056	19.2
94.22699	1.3
94.69170	1.6
95.04959	3.4
95.08609	52.0
97.06540	1.5
97.10163	4.9
97.54919	1.4
98.21060	5.9
99.08086	2.6
105.07049	6.7
107.08601	11.5
109.09454	2.1
109.10166	33.7
111.04450	1.7
111.08046	1.9
111.11718	3.2
111.80157	1.4
112.59055	1.3
119.08572	4.2
121.06526	3.4
121.10165	8.0
123.04395	1.9
123.08083	2.1
123.11711	19.8
131.08513	3.2
133.06468	2.0
133.10159	2.4
135.08055	2.7
135.11731	6.9
137.05907	2.9
137.09673	1.3
137.13252	4.1
139.07533	3.7
141.05536	1.7
147.11668	2.3
149.05969	5.6
149.13225	8.2
151.07533	11.8
151.83257	1.4
153.01826	2.2
153.05432	1.6
154.81526	1.6
155.07074	2.7
159.07986	1.9
159.11757	1.6
161.05995	3.0
161.09618	1.6
161.13298	1.8
163.07590	1.6
163.14714	1.7
165.09135	7.1
167.07048	100.0
173.09621	2.0
175.07515	4.5
177.09148	6.3
179.07025	8.1
181.08653	1.5
183.57585	1.5
187.11241	2.5
187.14806	1.8
189.09148	5.0
191.07089	1.5
191.10622	1.9
193.08682	2.3
201.09161	4.7
203.10767	4.5
205.12363	1.6
205.19504	3.2
207.10208	7.0
217.12233	1.7
221.11612	2.4
235.13234	1.6
268.68396	1.4
361.23734	2.0
371.25870	7.7
389.26880	45.0
389.31720	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	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.7
56.96557	0.6
57.03434	0.5
57.07060	1.1
65.03951	0.6
67.05504	5.1
69.03423	2.0
69.07075	2.6
70.75591	1.4
76.69774	0.5
79.05497	2.5
81.07059	7.4
82.34366	0.4
83.04994	0.8
83.08636	1.6
89.04586	0.4
91.05481	1.5
93.07053	4.2
95.04969	1.0
95.08606	12.7
97.10173	1.2
105.07032	4.4
107.04905	0.5
107.08607	3.1
108.05730	1.0
109.06536	0.5
109.10175	3.9
111.11734	0.6
119.08614	2.5
121.06526	1.3
121.10146	8.7
123.08067	10.9
123.11729	2.6
127.11325	0.5
131.08571	1.0
133.06561	0.6
133.10130	0.8
135.08063	3.8
135.11691	2.3
137.05977	0.7
139.11182	0.6
143.08496	0.6
145.10089	0.9
147.11700	0.7
149.09613	0.8
149.13327	0.7
151.07545	100.0
152.07903	1.6
159.11676	1.0
161.09718	0.6
163.07503	2.8
163.11220	2.3
165.09126	1.7
167.07106	1.1
173.09610	1.0
173.13257	0.8
175.07539	1.2
175.11110	0.9
177.09164	2.0
181.04974	0.6
181.12245	6.5
185.13367	0.6
189.09114	1.5
189.12846	0.7
189.16292	0.6
191.10664	7.6
191.17981	1.7
198.32646	0.4
203.10643	0.5
205.12228	1.1
212.08214	0.6
215.18034	1.3
233.19041	2.4
243.13661	0.5
251.20062	9.2
267.09079	1.6
285.10126	1.9
297.77081	0.5
353.24762	0.9
358.91116	0.5
364.16592	0.5
371.25824	4.5
383.54398	0.6
389.26968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.77377	0.4
55.01860	1.8
55.05262	0.7
55.05512	10.2
57.03434	0.4
57.07071	2.3
65.03933	1.0
67.01859	1.6
67.05507	12.3
68.05787	0.4
68.99792	1.8
69.03440	2.4
69.07068	12.1
69.63564	1.0
69.63975	1.3
71.08632	1.0
79.05492	4.4
81.03397	0.8
81.07059	14.5
83.04970	0.8
83.08621	7.6
85.02878	0.4
85.10183	0.4
91.05493	2.5
93.07041	5.3
95.04962	0.6
95.08604	11.1
97.02881	1.4
97.06548	0.9
97.10179	3.9
105.07050	1.9
107.08582	2.8
109.02873	0.6
109.06491	0.8
109.10164	7.1
111.00797	2.1
111.04440	1.4
111.08112	0.5
111.11723	1.1
116.37050	0.4
119.04957	0.7
119.08579	1.8
121.02878	0.4
121.06512	0.5
121.10114	3.4
123.04427	2.7
123.11722	2.7
125.02313	0.6
125.05985	1.6
127.03922	7.9
133.10133	2.0
135.11707	1.8
137.05997	3.5
137.13243	1.3
139.03905	34.0
140.04247	0.8
141.05476	1.1
147.04428	0.5
147.11696	1.4
149.06012	0.7
149.13261	1.6
151.03903	3.0
151.14848	1.1
153.01830	100.0
153.05389	6.6
154.02156	1.5
155.03391	4.6
161.13231	1.1
163.03914	3.7
163.07465	0.5
163.14793	1.0
165.01865	1.9
165.05495	6.5
165.16432	0.6
167.03415	4.6
167.07004	1.1
171.02876	1.2
175.14813	0.5
177.05438	3.0
177.09067	0.7
177.16466	0.4
179.03368	0.7
179.07072	0.8
179.17979	0.8
181.04948	8.0
183.02939	0.7
191.06999	1.9
193.05067	0.6
193.08606	6.6
195.06546	1.9
203.07069	1.2
205.08614	1.6
207.10126	1.9
209.08121	1.1
217.08508	0.7
219.21115	3.3
221.11806	0.5
221.22664	0.5
223.09744	0.5
237.10999	0.4
237.22200	0.7
244.47365	0.4
245.22653	3.3
251.12772	0.7
263.23648	1.7
265.14307	0.9
277.17856	0.3
279.15912	0.6
287.16440	0.8
291.16135	0.6
291.19254	0.6
293.17441	0.9
305.17468	2.7
305.21063	0.9
307.19016	0.5
319.19217	0.6
371.25751	3.4
372.26385	0.5
389.26840	22.7
390.26993	1.1
396.14304	0.4
414.26016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19413	0.4
55.01864	0.8
55.05517	2.6
57.07052	0.7
58.41857	0.5
65.03924	0.5
67.05507	8.0
69.03418	1.7
69.07065	4.1
69.46300	4.3
71.04979	0.6
79.05507	3.3
81.07057	8.9
83.01325	0.7
83.04976	1.6
83.08620	3.4
85.06516	0.6
91.05486	2.9
93.07037	5.3
95.04967	0.9
95.08607	15.2
97.06528	0.8
97.10194	0.8
98.21191	2.2
100.05442	0.6
103.05476	0.9
105.07037	3.8
107.04956	1.0
107.08584	4.0
108.05708	1.1
109.06532	1.2
109.10155	6.8
111.08068	0.9
111.48647	0.5
117.07020	0.6
119.08575	3.3
121.06548	0.7
121.10143	10.0
123.08074	10.9
123.11716	4.1
125.05989	1.1
127.03922	1.5
129.06978	0.5
131.08589	1.2
133.10124	1.7
135.08043	2.1
135.11710	3.3
137.02362	0.6
137.05966	1.5
137.09624	0.9
137.13289	1.2
139.03888	1.2
143.08569	0.8
145.10114	2.1
147.11688	1.7
149.09514	1.1
149.13219	0.6
151.07542	100.0
151.14726	0.7
152.07866	1.0
153.01839	2.1
153.05450	1.3
153.09103	0.8
157.10132	0.8
159.07968	0.5
159.11719	2.2
161.09625	0.5
163.07507	1.1
163.11168	2.4
165.05499	0.7
165.09114	0.7
167.07043	2.3
167.10689	1.8
169.12253	1.9
175.07529	0.6
175.11143	1.5
175.14806	0.8
177.03928	0.6
177.05496	0.8
177.09090	2.4
177.12805	0.6
181.04984	2.6
181.12231	5.9
189.09055	0.6
189.16354	0.7
191.10660	2.3
191.14229	0.6
191.17947	3.3
193.72037	0.5
205.12190	1.4
215.17949	2.3
219.10168	0.7
233.18980	2.5
251.20058	7.4
353.17365	1.0
353.24548	0.6
371.18600	1.3
371.25876	1.8
389.19431	0.9
389.26987	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.05516	19.2
57.07074	4.7
65.03946	1.5
67.01863	2.6
67.05163	2.1
67.05507	29.4
68.99789	2.5
69.03415	1.8
69.07068	21.0
69.46880	1.1
79.05492	11.3
81.06575	2.6
81.07056	55.7
83.01350	2.1
83.04958	1.3
83.08610	12.6
85.06536	1.6
91.05478	4.9
93.07045	13.4
95.04987	1.8
95.08605	36.0
97.06574	1.6
97.10187	5.0
98.21333	6.2
99.33662	1.4
105.07063	4.0
107.08584	9.4
109.06496	1.8
109.10163	22.7
111.00777	1.3
111.04436	1.5
111.11735	4.6
117.07034	1.1
117.40869	1.1
119.08594	4.9
121.06476	2.2
121.10141	6.2
123.04448	3.1
123.08044	2.0
123.11712	13.2
125.05981	2.4
127.03918	7.6
131.08569	2.1
133.10106	4.0
135.11708	4.6
137.06000	4.9
137.13280	2.7
139.03908	36.2
139.07571	4.0
147.11691	2.6
149.05914	3.1
149.13255	6.8
151.03899	2.1
151.07550	7.8
151.14853	1.2
153.01830	100.0
153.05489	4.5
155.03416	3.5
161.06023	2.5
161.09677	1.4
163.03920	3.9
163.14861	2.7
165.05510	9.4
165.09190	3.3
165.16531	1.2
166.15666	1.1
167.07045	55.4
168.07304	1.5
175.07596	2.3
177.09164	1.9
179.07051	3.4
181.04964	11.7
189.09131	3.4
191.07066	2.6
193.08571	8.7
203.07036	1.6
205.08580	1.4
205.19519	1.2
207.10150	3.8
219.20941	2.3
245.22722	2.6
263.23734	1.9
277.17892	1.4
305.21039	1.8
371.25732	8.6
389.26816	31.7
390.26892	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2685
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
53.03931	0.5
55.01863	1.4
55.05264	0.5
55.05515	9.8
57.07077	2.5
65.03931	0.7
67.01857	1.7
67.05170	0.6
67.05508	10.0
68.03637	0.5
68.99784	1.6
69.03426	0.8
69.07070	11.1
69.76031	2.5
71.08632	0.5
76.20739	0.5
79.05489	3.1
81.07065	11.9
82.57510	0.5
82.78252	0.4
83.04980	0.7
83.08628	6.5
85.10168	0.6
91.05479	1.9
93.07045	4.3
95.04908	0.6
95.08035	0.8
95.08608	9.6
97.02907	1.1
97.06522	1.1
97.10166	3.9
98.21117	1.6
105.07030	1.3
107.04968	0.5
107.08579	2.4
109.10165	5.8
111.00790	1.4
111.04449	1.2
111.08075	0.6
111.11700	1.1
119.04976	0.7
119.08553	1.2
121.06495	0.8
121.10208	2.5
123.04430	2.7
123.11709	2.4
127.03912	7.6
133.10132	1.7
135.11719	1.4
136.79001	0.4
137.05957	2.4
137.13257	0.7
139.03908	26.7
147.11644	0.8
149.13187	1.0
151.03928	1.7
153.01836	100.0
153.05373	3.9
154.02182	0.9
155.03401	4.5
161.13225	1.1
163.03900	2.0
163.14871	0.6
165.01828	0.8
165.05487	6.0
165.16440	0.6
167.03345	2.6
167.07072	0.8
171.02940	0.9
175.14848	0.6
177.05467	2.2
177.16415	0.6
179.18018	0.8
181.04961	6.5
191.07016	1.5
193.08618	5.4
195.06593	2.0
205.08632	1.1
207.10115	0.7
209.08051	1.2
219.10130	0.7
219.21057	2.6
237.11299	0.8
245.22740	2.5
263.23758	1.6
265.14111	0.5
279.15991	0.7
287.16382	0.6
293.17429	0.9
305.17685	1.2
305.20972	0.8
319.18982	0.7
371.25781	2.5
389.26868	16.5
390.12149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63968	0.3
52.22443	0.3
53.03922	0.6
55.01858	1.4
55.05514	5.9
57.07063	1.6
59.08770	0.3
62.52358	0.5
64.54820	0.3
67.05508	12.3
68.52984	0.4
69.03429	0.6
69.06721	0.4
69.07070	7.9
69.34465	1.4
69.34891	2.2
71.08605	0.6
79.05492	4.7
81.07059	13.1
83.01361	2.5
83.04984	0.9
83.08610	2.9
91.05478	2.9
93.07040	3.5
95.04933	1.2
95.08614	11.7
97.02889	1.8
97.06524	2.1
97.10181	2.0
98.21111	1.8
99.08140	0.5
105.07014	2.1
107.04936	0.8
107.08619	2.9
109.06483	1.0
109.10163	5.5
111.08061	0.7
111.11703	0.8
119.08582	1.4
121.06454	0.5
121.10141	2.5
123.08048	0.4
123.11713	1.5
123.14938	0.4
124.05179	0.5
125.05969	1.2
133.10170	2.5
135.04359	0.4
135.08008	0.4
135.11685	1.7
137.06010	2.0
137.09627	0.6
137.13271	1.1
139.07542	1.7
141.94702	0.4
147.08022	1.0
147.11664	1.1
149.13271	1.1
151.07549	3.0
151.14796	2.3
153.05434	0.8
155.05910	0.5
155.07057	6.6
161.13251	1.3
163.07527	0.8
165.05495	0.5
165.09244	0.7
167.07053	19.0
175.07571	1.8
177.05527	0.7
179.03386	0.7
179.06940	1.0
181.04965	100.0
182.05315	1.6
183.06586	2.7
191.07021	3.2
191.17950	3.5
193.08672	4.3
205.08649	1.2
209.08112	5.7
217.08499	0.5
217.19522	4.4
219.10158	1.2
221.11729	3.0
223.09705	1.5
231.10278	0.8
231.90825	0.4
233.11719	0.7
235.20581	2.0
237.11299	1.1
291.19800	0.5
296.11539	0.4
305.21091	1.3
347.13943	0.4
358.12149	0.7
359.12857	1.8
360.14325	0.6
362.16284	0.5
371.25748	2.3
372.14029	0.6
373.14456	5.1
374.15244	4.0
375.16135	0.6
387.16013	1.4
388.16519	2.6
389.17590	38.3
389.26651	11.7
390.18179	3.8
394.90302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.1
56.96558	0.9
57.07068	0.7
67.05173	0.5
67.05508	5.5
69.03424	1.7
69.07082	2.5
70.69705	1.1
71.33405	0.4
79.05485	2.5
81.03411	0.7
81.07057	8.6
83.04976	0.6
83.08617	1.7
85.02903	0.7
85.06492	0.7
88.49844	0.4
91.05479	1.8
93.06496	0.5
93.07030	3.6
95.04962	0.5
95.08608	11.5
97.06527	0.8
97.10178	1.1
105.07024	2.9
107.04932	0.6
107.08614	3.5
108.05758	0.9
109.06492	0.4
109.10146	3.9
111.11705	0.5
117.07053	0.5
119.08575	1.1
121.06496	0.8
121.10148	10.1
123.08079	10.9
123.11690	2.2
125.09659	0.5
129.06985	0.5
131.08560	1.2
133.10092	1.0
135.08046	3.4
135.11722	2.8
137.06026	0.8
137.13266	0.7
145.10172	1.4
147.04504	0.4
147.11649	0.9
149.09673	0.7
149.13254	1.2
151.07549	100.0
152.07884	1.7
159.11656	0.7
161.09576	1.1
161.13298	0.6
163.07523	2.7
163.11211	2.4
165.09084	0.8
167.07079	2.1
173.09541	0.7
173.13249	0.4
175.07561	1.0
175.11189	0.8
175.14822	0.4
177.09138	2.2
178.07495	0.6
181.04994	1.0
181.12241	6.3
189.09117	1.8
189.12802	0.8
191.10667	7.7
191.17932	2.4
193.12296	0.4
195.13852	0.7
203.10767	0.6
203.18054	0.5
205.12088	1.0
215.17888	1.2
229.12279	0.6
231.13951	0.7
233.19043	2.2
243.13799	0.6
251.20070	7.6
252.20453	0.5
259.10309	0.6
267.09015	2.5
285.10095	1.8
298.13193	0.5
317.12604	0.8
353.24655	0.9
364.16336	0.6
371.25931	4.1
389.27084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27520	0.5
53.03936	0.8
55.01861	0.8
55.05510	3.7
56.66316	0.4
65.03928	0.8
67.05503	6.7
69.03427	2.6
69.07072	4.1
70.74533	1.3
71.04993	0.9
79.05499	4.5
80.89275	0.4
81.03418	0.7
81.07063	9.6
83.04980	1.3
83.08621	4.2
85.06532	0.6
91.05497	3.0
93.07047	5.3
95.04977	1.7
95.08612	15.2
97.02892	0.4
97.06518	0.5
97.10182	0.8
98.57246	0.5
105.07022	4.5
107.04939	0.7
107.08608	4.0
108.05742	0.9
108.08922	0.5
109.02871	0.5
109.06521	1.6
109.10162	7.0
111.04440	0.8
111.08078	0.9
117.07009	1.3
119.04982	0.6
119.08579	3.2
121.06531	1.1
121.10153	10.0
123.08079	14.5
123.11723	4.1
124.48169	0.5
125.05991	1.1
125.09591	0.8
127.03930	0.9
129.06990	0.7
131.08562	1.9
133.06398	0.7
133.10127	1.7
135.08078	1.5
135.11720	3.0
137.05991	2.1
137.09543	1.1
137.13257	1.4
139.03882	0.7
139.07527	0.5
139.11192	0.5
143.08557	0.9
145.10139	1.6
147.11678	1.5
149.09660	1.4
149.13240	1.3
151.07549	100.0
151.14819	0.6
152.03435	0.5
152.07898	2.1
153.01822	1.7
153.05446	0.6
157.10114	1.1
159.11681	1.7
161.09604	1.1
163.07552	1.1
163.11201	2.6
165.05391	0.5
165.09167	1.0
167.07068	2.6
167.10687	1.5
169.10092	0.7
169.12222	2.2
171.08078	0.5
173.09633	0.9
175.07591	1.1
175.11218	1.0
175.14822	0.8
177.09158	2.5
179.03333	0.6
181.04971	2.1
181.12219	4.9
189.09084	1.0
189.12759	0.7
189.16478	0.6
191.10722	1.9
191.17970	3.0
195.13791	1.1
197.13156	0.5
203.10707	0.6
205.12239	1.5
215.17967	2.0
217.15880	0.7
233.19000	2.8
251.20079	7.3
276.56119	0.5
353.17514	0.7
353.32294	0.4
371.18686	1.2
371.25937	2.1
389.26947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01874	1.6
55.05511	6.6
55.15183	0.4
57.03421	0.9
57.07081	2.1
65.03928	1.3
66.19012	0.5
67.05507	19.1
68.99792	1.0
69.03441	0.7
69.06722	0.5
69.07071	5.8
71.08625	0.8
71.57973	0.6
79.05494	6.9
79.20302	0.4
81.03408	1.3
81.07062	24.3
83.01346	3.3
83.04985	2.2
83.08618	3.5
83.47898	0.3
85.06523	1.2
85.10178	0.4
85.45320	0.3
91.05482	6.1
93.07050	5.5
95.04953	1.4
95.08607	13.1
97.06512	2.3
97.10163	1.6
98.21077	0.4
99.08103	0.4
105.07042	3.8
107.08601	4.6
109.06500	2.4
109.10158	7.6
110.27296	0.4
111.04466	0.7
111.08072	0.8
111.11694	0.5
113.09607	0.5
117.06998	0.5
119.08574	4.4
121.06477	1.1
121.10149	2.7
123.04428	1.3
123.08078	0.9
123.11716	4.5
125.06014	0.6
125.09640	0.4
131.08551	0.8
133.06477	0.9
133.10146	3.7
135.08041	0.7
135.11694	2.1
137.06003	4.8
137.13239	1.1
138.03116	1.3
139.03906	0.9
139.07515	0.6
141.05473	6.3
145.10164	0.5
147.08052	0.7
147.11707	2.0
149.05962	0.6
149.13280	1.0
151.07553	2.2
151.14841	1.3
153.01866	0.5
153.05475	2.6
155.07039	5.9
159.11687	0.4
161.05983	1.1
161.09666	0.5
161.13264	1.0
163.07578	0.4
165.05476	1.6
165.09128	1.5
166.02670	1.6
167.03409	100.0
167.07047	22.4
168.03749	1.5
168.07339	0.8
175.07558	0.9
177.05475	0.9
177.09071	0.6
178.06210	0.7
179.07025	0.8
181.04967	44.9
181.08356	1.7
182.05321	1.3
183.06599	2.0
184.03709	2.0
189.09045	0.5
189.16417	2.6
191.07042	3.0
191.10577	0.4
191.17995	1.8
193.08632	5.3
195.06534	0.5
203.10663	0.7
205.08589	0.6
205.19557	1.4
207.10208	0.7
207.17535	0.7
209.08084	3.9
217.08714	0.4
217.19533	2.6
219.06543	1.2
219.10161	1.0
221.11736	2.8
223.09651	0.9
223.20459	0.5
231.10135	0.5
233.11842	0.5
235.13306	0.8
235.20602	1.1
245.08115	0.7
249.18596	0.7
263.16696	0.5
291.19562	1.1
293.00000	0.4
305.21283	0.7
341.01364	0.4
371.22110	4.5
371.26047	1.4
373.14487	0.9
374.15082	1.1
388.16550	0.5
389.17941	6.8
389.23050	1.2
389.27029	7.3
389.31601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
53.33853	2.5
55.01860	5.9
55.05262	2.5
55.05511	24.1
57.03434	3.9
57.07069	4.3
59.82722	2.0
65.03921	6.1
66.26096	1.8
67.05505	67.2
69.03406	4.1
69.06774	2.1
69.07074	22.6
69.78502	2.0
71.04989	4.3
71.56557	2.8
77.03916	3.3
79.05497	91.9
81.03399	4.3
81.07059	98.7
83.01334	3.4
83.04983	12.3
83.08170	2.5
83.08624	10.2
85.06525	5.4
88.48507	2.2
91.04904	3.3
91.05483	82.0
93.07049	93.4
95.04983	18.1
95.08611	56.0
97.06521	10.1
97.10159	7.6
99.08070	3.2
103.05444	2.7
105.04518	3.5
105.07037	48.2
107.04951	5.2
107.07858	3.2
107.08596	62.7
109.02836	2.5
109.06528	13.7
109.10164	23.4
111.04410	3.5
111.08067	7.4
113.48898	2.4
117.07020	24.9
119.08587	43.0
121.06519	7.5
121.10152	54.1
123.04446	2.2
123.08060	10.3
123.11684	7.0
125.05973	4.7
125.09633	3.4
127.03905	4.1
128.06206	3.3
129.07016	10.7
131.08560	35.4
133.06444	3.0
133.09149	1.6
133.10120	40.9
135.08067	12.2
135.11708	13.9
137.05971	22.9
137.09601	9.6
139.03856	3.2
139.07541	12.7
141.07016	2.9
143.08556	12.1
145.10130	15.0
147.08006	12.6
147.11696	11.5
149.09601	6.5
149.13329	5.1
151.07523	21.3
151.11215	4.2
153.01846	3.4
153.05472	5.3
155.07039	80.1
157.10175	15.5
159.11693	7.0
161.09581	4.5
161.13202	5.0
163.07578	3.2
165.05437	4.4
165.09099	8.8
167.03336	3.0
167.07040	100.0
171.11656	9.7
173.13226	12.9
175.07553	14.9
175.11211	3.0
175.14815	7.4
177.09105	4.2
179.07014	2.4
179.10609	3.0
181.04961	82.8
181.08527	2.9
183.06470	6.7
185.13216	3.5
187.14893	3.3
189.11180	2.7
189.12744	4.6
189.16414	13.7
191.07043	21.0
191.14268	2.8
193.08577	14.9
193.12373	2.6
199.14850	16.8
205.08624	11.4
207.17429	3.9
217.15852	12.7
219.10204	2.6
235.13313	2.7
235.16933	29.9
317.95898	2.2
336.84824	2.1
347.18555	6.8
371.22375	11.7
389.23181	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	389.2321
Annotation	15-keto Latanoprost (free acid)
Peak:m/z	Relative Intensity
53.03953	2.2
55.01871	3.1
55.05506	10.2
57.03438	40.9
57.07072	2.0
61.68386	1.5
62.02662	1.4
65.03915	3.7
67.05505	33.9
68.99779	2.3
69.03412	3.0
69.07065	5.8
71.05004	2.2
71.37545	1.8
71.80576	1.5
73.05202	1.3
74.94724	1.3
79.05492	37.3
81.03435	1.7
81.07058	41.5
83.01334	2.7
83.04993	4.6
83.08629	8.8
85.06540	7.2
91.05480	33.6
93.07047	38.1
95.04978	8.6
95.08051	1.5
95.08607	39.6
97.06535	5.0
97.10164	3.2
99.08103	13.8
105.07030	23.3
107.08589	15.6
107.80801	1.6
109.06512	14.1
109.10159	9.0
111.08074	6.2
113.06009	2.2
115.07513	1.9
117.07013	13.7
119.08560	16.1
121.06509	1.5
121.10125	11.1
123.04414	9.5
123.08092	7.9
123.11692	2.4
125.06026	2.2
125.09626	3.8
127.03935	2.7
127.07581	4.7
128.06219	2.8
129.07013	5.6
131.08557	16.1
133.06525	2.0
133.10136	22.5
135.08057	9.9
135.11661	10.7
137.06001	4.8
137.09624	8.6
139.11287	1.6
141.05466	74.7
143.08598	6.6
145.10118	7.7
147.11693	16.4
149.09605	2.2
149.13260	6.1
151.07501	2.9
151.11253	3.9
153.05467	21.9
157.10130	6.6
159.11696	45.5
161.05942	1.9
161.13240	2.5
165.12759	5.1
167.03400	100.0
169.04877	2.1
171.11714	6.9
173.13264	9.0
175.11157	2.0
175.14818	21.6
177.05495	5.5
177.12750	13.6
179.07047	3.2
184.12611	1.6
185.13297	2.7
189.16458	3.3
193.15889	10.7
195.06587	3.9
203.17944	5.3
207.10312	2.7
209.08141	2.7
213.16396	22.8
217.08643	1.9
231.17438	19.1
249.18526	19.1
310.38696	1.8
389.22983	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	389.2322
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
53.03971	2.0
55.01868	3.7
55.05516	9.9
57.03441	39.0
57.07080	2.1
57.34531	1.7
65.03939	2.3
66.56798	1.7
67.05162	2.9
67.05502	30.6
68.99796	3.1
69.03445	1.6
69.07066	7.2
69.66393	7.3
69.66798	3.1
71.04991	1.6
75.30900	1.5
79.05489	34.4
81.03416	3.8
81.07063	42.9
82.02010	1.5
83.04989	1.9
83.08618	6.5
85.06546	4.9
91.05490	29.9
93.07047	31.5
95.04963	5.7
95.08044	2.7
95.08614	36.7
97.06547	5.7
97.10168	2.4
98.21029	5.6
99.08099	11.3
100.37192	1.8
105.04568	2.3
105.07045	19.8
105.59897	1.6
107.04935	3.2
107.08591	18.5
109.02857	2.7
109.06522	10.8
109.10155	10.7
111.04467	1.7
111.08084	6.5
111.11746	1.5
113.06025	2.7
115.07583	2.1
117.07029	17.3
119.08583	17.1
121.06486	2.7
121.10153	7.8
123.04424	8.9
123.08079	6.7
123.11700	3.1
124.01604	3.4
125.06003	2.8
125.09634	4.9
127.07538	3.6
129.06995	6.0
131.08565	16.6
133.10130	25.0
135.08032	8.6
135.11684	9.1
137.06004	3.2
137.09619	6.8
139.03874	3.2
139.11180	2.1
141.04375	3.9
141.05475	79.1
143.08560	3.8
145.10112	8.4
147.11687	15.6
149.09612	3.6
149.13229	5.3
151.07579	4.7
151.11165	4.5
152.01076	4.2
153.05486	30.0
157.10118	5.4
159.11705	44.4
161.05890	1.8
161.13318	2.8
163.11212	1.9
165.12682	2.0
167.03406	100.0
167.07092	3.6
170.02055	2.4
171.11763	6.8
173.13300	7.9
175.11304	1.9
175.14842	22.5
175.31042	1.6
177.05470	5.1
177.12746	13.3
179.07091	8.2
181.04951	2.0
185.13284	2.8
187.14818	3.0
189.16389	1.9
193.15895	9.3
195.06567	3.2
203.17905	5.6
207.10210	2.0
213.16354	13.3
217.08572	2.7
217.42192	1.6
231.17426	15.1
249.18481	16.1
318.84134	2.0
339.23389	1.6
389.23251	3.1
389.31168	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	389.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33244	5.6
54.08807	5.6
55.05506	17.4
57.03438	38.1
57.07072	7.1
65.03939	5.5
67.05504	37.4
69.07060	16.7
71.04961	11.3
79.05505	42.9
81.07053	58.9
83.08605	19.3
85.06511	6.2
91.05489	36.9
91.33702	5.8
93.07053	42.1
95.04973	13.4
95.08623	52.1
97.06538	8.6
98.20833	30.1
98.21508	13.2
99.08086	15.8
105.07020	26.8
107.04971	8.9
107.08587	22.1
109.06499	13.1
109.10150	20.8
111.08080	7.2
117.06999	20.1
119.08584	22.0
121.10169	12.3
122.20495	5.1
123.04420	9.8
123.08101	10.0
123.11713	8.8
124.01546	5.7
125.05966	34.0
131.08562	11.7
133.10115	20.9
135.08064	13.7
135.11661	17.1
137.09618	14.6
141.05469	100.0
143.08527	7.2
145.10124	9.8
147.11667	17.7
149.07103	5.8
149.13264	12.4
151.07553	15.3
151.11148	6.6
153.01799	7.5
153.05516	30.7
155.07091	6.8
157.10086	10.7
159.11719	47.1
161.13225	10.6
166.41931	6.0
167.03413	98.6
167.07018	20.8
173.13232	11.0
175.14844	16.6
177.05452	7.6
177.12737	18.0
179.07028	8.8
181.04919	47.2
185.13332	8.6
203.17810	9.4
213.16328	21.2
219.06538	25.3
231.17427	18.1
249.18530	21.7
389.22894	16.0
389.34476	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	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05512	6.0
57.03433	7.8
67.05511	8.5
68.35400	5.1
69.03422	19.6
69.07049	5.7
69.70292	33.4
71.05013	10.2
72.25066	5.6
79.05502	11.3
81.03402	14.2
81.07053	13.7
83.01354	5.6
83.04946	10.0
85.02897	21.6
85.06539	10.2
91.05478	11.1
93.07040	12.7
95.04955	19.8
95.08590	12.2
97.02883	6.7
97.06523	12.2
98.21082	15.8
99.04433	6.8
99.08085	12.4
105.07033	17.1
105.60770	5.0
107.05024	6.2
107.08582	19.4
109.02896	8.2
109.06543	12.5
109.10136	7.6
119.08585	8.2
121.10143	20.0
123.08089	5.6
125.09637	12.4
127.03912	19.4
131.08604	10.2
133.10127	22.6
135.08110	7.1
135.11604	7.6
137.02319	6.2
137.06021	8.0
139.07593	5.9
139.11113	7.2
145.10065	6.3
149.09636	12.4
149.13264	7.1
151.11201	11.6
153.09117	15.5
163.11247	5.4
163.14789	8.8
165.05487	15.1
165.12828	6.2
167.07114	15.0
171.10173	6.0
173.13277	16.2
191.07144	5.2
191.14314	23.1
199.08571	6.3
209.15390	100.0
227.08170	5.2
227.16510	23.9
251.08141	8.0
258.59573	5.7
265.09656	14.2
279.07770	11.9
284.65692	5.4
293.09222	19.9
297.08701	17.3
315.09308	8.9
321.08627	9.1
339.09772	10.5
371.12146	7.2
389.13333	50.8
389.17816	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	389.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01871	7.1
55.05518	20.8
57.03434	3.7
57.07081	2.4
65.03939	5.6
67.05508	81.0
69.03444	2.9
69.07080	18.2
70.46288	2.4
71.04996	2.8
71.57384	1.9
79.05497	100.0
81.03424	5.9
81.07063	88.7
83.01344	4.2
83.04980	7.2
83.08615	12.4
85.06553	4.6
91.04902	2.1
91.05489	86.5
93.07050	96.6
95.04974	14.0
95.08610	49.5
97.02888	2.7
97.06531	9.3
97.10171	8.0
99.04459	2.2
99.08074	2.3
100.41714	2.4
103.05480	5.5
105.06371	3.7
105.07038	44.6
107.04938	7.4
107.08607	58.1
109.06529	10.6
109.10168	20.0
111.08097	5.3
115.05466	4.0
117.07015	26.7
119.07780	3.4
119.08594	43.6
121.06509	8.8
121.09315	2.8
121.10153	56.5
123.08083	9.3
123.11742	3.1
125.05991	4.7
128.06212	4.1
129.07027	12.0
131.08572	40.7
133.06516	3.2
133.10135	30.2
135.08075	9.3
135.11725	15.2
137.05983	20.0
137.09645	8.5
139.03934	2.4
139.07549	8.5
142.07794	2.9
143.08585	11.7
145.10152	14.2
147.08061	10.3
147.11716	11.6
149.09642	6.4
149.13237	2.5
151.07562	20.0
151.11220	3.1
153.09152	2.3
155.07036	80.9
157.10146	14.7
159.11720	5.6
161.09673	2.8
161.13255	2.4
163.11201	2.6
165.05457	2.6
165.09111	7.1
167.05627	4.5
167.07063	93.3
171.11731	7.5
173.13263	13.0
175.07561	7.9
175.11061	2.4
175.14862	9.8
177.05479	2.5
179.10651	2.4
181.04976	94.8
183.06573	5.1
189.09056	3.0
189.12796	3.6
189.16490	11.1
191.07040	24.4
191.14450	2.3
193.08643	18.4
193.12273	3.2
197.16289	2.1
199.14890	14.9
205.08612	10.0
207.17499	4.7
217.15910	10.2
233.11528	2.1
235.16917	25.8
347.18646	4.7
353.17496	3.0
371.18134	3.9
371.22253	9.7
376.57843	2.7
379.82724	2.3
389.19220	2.7
389.23410	9.0
389.31769	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	389.1956
Annotation	Pseudolaric acid A
Peak:m/z	Relative Intensity
51.84052	3.7
55.01867	9.2
55.05494	8.4
57.07067	6.6
58.81255	4.1
60.14589	3.3
67.05513	20.3
67.05791	3.6
69.07060	14.7
69.99564	4.3
71.09572	4.3
71.31490	7.3
74.18760	3.7
79.05492	32.7
81.03418	7.1
81.07063	39.5
83.08631	5.7
89.08379	3.8
91.05499	25.2
93.07041	28.0
95.04951	15.0
95.08609	29.2
97.02831	4.0
97.06537	8.2
98.21103	4.7
99.37824	3.6
103.05472	10.3
105.07032	29.9
107.04958	47.8
107.08600	18.2
109.06563	5.1
109.10159	15.8
110.63318	4.3
115.05430	6.3
117.06988	5.9
119.08587	15.1
120.44144	4.4
121.06538	6.8
121.10148	14.6
121.92347	3.5
123.04416	3.9
123.11684	3.5
125.05994	6.0
127.03935	5.8
129.07092	3.6
131.08525	9.5
133.06471	5.0
133.10136	14.2
135.08066	17.4
135.11691	7.2
141.05438	4.0
143.08560	11.3
145.10120	8.0
147.11684	9.8
149.13228	7.7
151.11224	5.1
151.59152	4.3
153.01831	10.9
157.10146	7.2
159.11729	10.0
161.13246	6.8
163.03888	4.2
163.07520	25.0
167.03418	13.0
167.07045	35.3
169.10100	5.2
171.11659	4.4
177.09163	5.1
178.06311	4.1
180.07860	6.4
181.04991	7.0
181.08592	12.6
187.14853	4.3
193.08623	5.0
193.12277	6.5
195.10181	100.0
195.11855	8.0
203.10657	5.5
205.05139	5.2
213.16441	5.4
214.87961	3.6
235.13312	10.8
267.09216	4.6
354.99585	4.8
371.25842	4.6
377.94849	4.4
389.23111	9.2
389.27008	10.4
389.31793	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	389.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73169	13.8
52.57556	14.2
55.01872	18.2
55.05505	30.3
67.05501	41.8
69.03407	50.9
69.07047	34.6
71.04996	21.9
73.06535	17.8
79.05486	58.1
81.03402	47.4
81.07063	74.0
83.04988	23.3
85.02888	56.8
85.06544	21.5
91.05464	56.6
93.07047	69.7
94.69109	13.3
95.04967	75.1
95.08600	30.8
97.02925	29.6
97.06530	59.9
99.04443	39.8
101.70206	14.5
105.07023	71.1
107.08584	82.7
109.02905	27.5
109.06516	100.0
109.10148	31.6
110.03081	15.0
111.08091	21.3
119.08609	33.2
121.03739	13.2
121.10169	66.4
123.04423	15.1
123.08030	15.5
125.06013	17.1
127.03935	39.4
127.07519	20.1
128.45100	15.8
131.04944	19.5
131.08559	26.5
133.10124	54.9
135.08072	17.6
135.11653	18.1
137.02374	73.6
137.05952	44.9
145.06586	17.1
145.10123	39.1
147.11679	43.1
149.09584	27.1
153.09094	29.0
160.66257	13.9
163.11139	77.8
166.08765	18.7
167.06999	48.4
167.08936	22.3
167.10640	24.5
169.08589	40.9
173.13335	24.6
175.07498	44.6
191.10625	43.1
191.14326	41.9
199.08713	18.6
209.09644	16.3
209.11606	28.2
209.15344	93.5
219.10121	30.5
227.12761	40.6
227.16393	64.8
283.11093	17.7
286.47525	17.4
318.99957	14.1
329.11191	24.2
368.84207	17.6
371.11429	17.5
389.12518	48.6
389.17691	42.6
395.00467	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36973	2.6
53.03959	5.6
55.01867	10.2
55.05505	10.7
64.85260	3.5
65.03951	6.8
65.59649	2.8
67.05495	11.8
69.03426	13.1
71.04992	6.7
77.78380	3.1
79.05496	12.8
80.52668	3.1
81.03425	7.2
81.07051	13.1
83.04975	10.5
83.08611	8.6
83.24652	3.0
85.02899	13.7
85.06559	8.3
91.04964	5.1
91.05486	62.4
93.07044	11.7
95.04971	60.9
95.08601	8.3
97.02892	8.6
97.06541	8.6
99.04458	20.8
103.05450	22.9
105.03352	6.6
105.07048	17.2
107.04989	7.2
107.08640	15.1
109.02867	5.9
109.06509	12.2
109.10151	11.3
111.08076	5.7
115.05439	6.8
117.06987	4.5
119.04944	5.5
119.08577	8.0
121.06485	6.4
121.10139	7.1
122.03634	3.2
123.04430	8.7
123.08066	10.2
123.11693	8.4
124.03973	5.2
125.09591	6.4
127.03896	4.7
131.04935	40.9
131.08565	5.7
132.05693	5.4
133.10107	12.6
135.08041	5.0
137.06001	23.1
137.87492	3.0
144.82516	3.3
145.06485	4.2
147.04399	12.5
147.08063	4.6
147.11670	7.0
148.89572	3.0
149.05957	6.7
151.03896	3.9
151.07561	15.7
151.11174	11.1
153.09126	18.1
159.08110	3.0
159.11761	3.1
160.05225	5.4
161.05980	6.3
163.07549	15.5
163.11205	3.5
164.04701	5.0
165.12767	4.9
167.07082	19.5
167.14279	11.3
171.06557	3.8
173.09618	4.2
173.13281	4.9
175.07561	100.0
177.05476	6.7
177.09065	3.7
179.07005	9.1
181.04948	10.7
183.06575	6.1
189.09055	6.5
191.07051	4.9
191.10667	3.5
191.14287	14.2
195.10185	16.2
199.08688	10.4
199.82947	3.4
201.09123	10.6
205.08621	5.5
207.06523	42.9
207.09920	3.7
208.07277	11.1
209.15369	54.7
213.10184	10.1
219.10181	67.8
227.08138	11.3
227.11839	6.7
227.16464	17.2
229.09778	3.6
231.02400	3.2
234.06648	3.4
241.06076	5.6
241.09853	17.0
255.07091	3.5
255.11322	23.2
257.08975	3.9
269.09198	5.5
273.12387	4.7
277.08679	3.5
283.10736	25.5
293.11615	3.8
295.10590	3.5
311.10059	12.7
313.11130	5.3
313.88675	3.3
327.12424	5.2
329.11292	59.8
353.10120	4.2
353.13889	4.1
357.10641	36.9
359.15036	3.9
371.14835	9.1
389.12241	3.9
389.16409	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	Renealtin B
Peak:m/z	Relative Intensity
53.03938	1.2
55.01871	3.2
55.05510	1.8
57.03010	0.9
57.03426	2.1
64.26408	0.9
65.03944	1.6
67.05495	4.1
68.99793	1.4
69.03436	2.4
69.07065	2.9
69.61444	0.9
71.23531	1.9
77.03941	1.1
79.05472	4.2
81.03412	2.8
81.07063	4.8
83.04989	1.0
83.08612	0.9
85.02908	2.4
90.40465	0.8
90.52444	0.8
91.05478	4.8
93.07051	3.2
95.04966	4.1
95.08615	3.7
97.02900	3.2
97.06533	4.0
98.21150	1.0
99.04495	1.4
99.08069	1.0
103.05425	1.5
105.03394	2.2
105.07045	3.1
107.04961	3.5
107.08611	2.3
109.02889	5.0
109.06490	1.2
109.10126	1.3
111.04472	2.1
111.08092	0.8
115.05447	1.2
119.04955	9.8
119.08595	2.3
121.06513	2.6
121.10140	1.9
123.04432	100.0
123.11672	2.3
127.03924	2.7
131.04944	2.6
131.08620	1.1
133.10138	1.8
135.04398	1.9
135.08102	1.2
137.02332	1.2
137.05980	2.6
139.03908	26.3
141.09135	1.2
143.04897	2.2
145.06508	1.9
145.10126	2.3
147.04413	31.8
149.05998	3.3
149.09602	1.3
151.03906	46.4
151.07578	3.4
152.04260	1.2
153.01845	1.9
153.05495	2.1
157.06516	0.9
161.05965	11.7
163.03926	7.1
163.07628	1.2
163.11160	1.5
165.05486	23.3
167.07040	3.5
169.04953	2.9
169.08635	2.2
173.05978	16.4
175.03989	1.2
175.07524	6.0
176.04694	2.8
177.05449	13.0
177.09012	1.3
179.06996	5.3
181.04901	5.4
181.08583	3.7
181.10017	0.9
181.12151	1.0
187.14912	1.5
189.05440	4.3
191.07027	5.1
191.10686	1.6
193.04979	2.9
193.08614	50.6
195.10173	1.5
203.10730	1.9
205.08603	5.1
207.06532	16.0
207.09996	1.5
219.10173	19.8
223.09598	1.7
227.12877	1.3
231.09991	1.1
237.11246	8.1
249.03873	1.1
249.07637	1.4
249.11249	2.7
268.07294	1.0
285.07516	4.6
287.70889	0.9
291.08710	4.0
303.08679	7.0
311.09177	2.0
327.12271	6.6
329.10297	13.6
345.13321	27.9
353.13757	4.2
359.14780	1.7
371.14874	13.7
389.16010	13.0
412.24060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
52.55626	5.6
55.01862	15.8
55.05497	8.0
60.29575	6.3
64.23071	5.7
65.03923	16.8
67.05513	13.7
69.07051	6.4
69.79597	8.4
69.80011	24.4
74.43210	6.0
79.05492	18.3
81.07055	19.8
85.02908	9.8
91.05480	23.4
93.07043	19.5
95.04973	15.9
95.08576	16.7
97.06505	6.5
98.20985	15.6
103.05467	8.6
105.07027	19.3
107.04967	15.0
107.08595	13.2
109.02866	7.1
109.06479	11.4
109.10127	11.2
110.03666	19.5
111.04427	27.3
119.04951	8.4
119.08585	11.1
121.02863	14.1
121.06487	8.4
121.10178	6.2
123.04401	14.9
123.08047	10.1
123.11727	10.1
125.06004	27.4
129.06929	8.0
131.04915	8.4
131.27544	5.9
133.10114	7.6
135.08014	9.1
136.75250	6.5
137.05971	28.5
145.06447	10.3
145.10083	7.3
147.04370	6.2
149.05986	8.0
151.03899	6.6
151.07536	34.0
153.05484	35.0
159.08037	9.3
160.05014	5.5
161.05963	14.0
161.09610	6.3
163.07512	9.0
165.06995	8.4
167.07086	28.1
171.11685	6.0
175.07581	78.9
175.17529	7.5
177.05489	17.2
177.09116	6.7
181.04976	47.3
181.06416	8.8
183.06503	16.0
189.09103	10.7
195.08479	7.2
195.10190	35.8
201.16660	6.1
207.06590	14.1
209.08066	21.9
219.10162	100.0
220.10565	8.2
221.09666	7.5
223.07521	11.9
223.91478	5.9
225.46707	6.1
227.06970	8.9
235.07750	7.1
238.06291	9.6
239.07072	11.1
240.07813	10.9
249.08881	10.3
251.07135	6.7
253.08650	27.0
253.12114	9.7
255.10149	14.0
267.10077	10.4
277.08630	10.9
281.11700	11.8
283.09686	16.7
285.11081	8.6
299.12839	14.3
309.11249	8.9
313.10715	19.5
313.14355	13.7
327.12213	89.7
331.15384	8.4
339.12183	12.9
341.13931	17.1
359.14948	48.3
371.14801	13.1
389.15860	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1444
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
53.03939	0.9
55.01875	0.4
55.05515	2.1
57.03434	0.4
69.03423	3.6
69.07072	0.4
69.35221	0.3
71.17673	0.3
71.18024	0.7
73.02981	0.4
73.06560	5.8
79.05508	0.5
80.15851	0.3
81.03421	2.1
81.07055	0.6
83.04965	1.2
85.02914	3.4
85.06548	0.6
90.26965	0.3
95.04976	0.6
97.02892	4.0
98.21221	0.4
99.04475	0.7
107.08594	0.5
109.02862	1.8
119.08464	0.4
120.98587	0.4
123.04452	0.4
127.03922	100.0
128.04279	1.3
131.04929	0.4
133.10115	0.3
133.80827	0.3
134.37502	0.3
137.02370	3.7
137.05986	0.6
145.04927	1.7
151.07497	0.5
151.46918	0.4
163.07539	0.7
165.05547	0.6
167.07054	1.5
191.14357	0.4
192.29256	0.4
207.06424	0.3
209.15411	1.2
235.09636	0.5
245.10182	1.0
357.13821	0.5
371.11295	0.5
389.12531	2.3
389.17468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03941	1.6
55.01867	3.7
55.05504	2.2
57.03437	1.8
65.03938	2.1
67.05503	3.6
68.99784	1.5
69.03429	1.8
69.07072	1.4
70.37083	2.7
71.04990	1.1
79.05497	3.1
81.03415	2.0
81.07049	4.3
83.04975	1.4
85.02922	1.0
91.05476	4.5
91.45721	0.8
91.74545	0.7
93.07047	2.7
95.04977	4.9
95.08603	2.7
97.02871	1.1
97.06535	3.2
98.21259	1.6
99.04517	1.0
99.08123	0.9
103.05464	2.0
105.03383	1.5
105.07011	1.5
107.04957	1.9
107.08591	2.0
109.02884	4.1
109.06519	1.7
109.10142	1.7
111.04425	2.1
115.05450	1.5
117.07013	1.1
119.04947	7.9
119.08627	1.3
121.02872	1.2
121.06516	2.0
121.10159	2.0
123.04436	100.0
123.11722	1.2
124.04794	1.1
125.06010	1.9
127.03924	2.0
131.04930	2.3
131.08606	1.7
133.06496	1.3
133.10146	1.3
135.04428	3.0
135.08076	3.4
135.11700	1.0
136.08383	1.0
137.02361	1.8
137.05981	4.2
139.03902	30.1
141.09148	1.3
142.38078	0.8
143.04910	3.0
145.06552	1.8
147.04410	33.1
147.07997	1.5
147.11705	1.2
149.06006	3.5
149.09641	1.1
151.03914	46.3
151.07542	3.4
152.04193	1.0
153.05458	1.4
161.04814	1.1
161.06013	12.1
161.13287	0.8
163.03865	6.5
163.07562	1.6
163.11220	1.4
165.05490	18.3
165.09129	1.2
167.07011	4.7
169.04993	2.6
169.06386	0.9
173.05988	17.0
175.03906	1.1
175.07526	4.1
175.14839	0.9
176.04704	3.3
177.05495	14.1
177.09064	1.0
179.07106	4.5
181.04965	6.2
181.08571	4.7
183.06561	1.1
189.05479	4.3
191.07059	4.9
191.10724	1.8
193.08618	50.9
194.08864	1.8
195.10265	1.2
201.09207	1.3
203.07129	1.1
203.10759	1.1
205.08635	4.9
207.06564	13.4
207.10040	1.3
209.07892	1.2
211.07523	0.8
212.29314	1.0
217.08626	1.9
219.06693	1.1
219.10178	20.4
223.09680	1.8
231.10393	1.2
235.09796	1.2
236.09554	0.9
237.11223	8.5
243.06575	1.0
249.11302	2.6
269.09247	1.3
285.07596	4.0
291.08591	5.6
303.08588	8.5
311.09247	3.7
311.12582	0.9
327.12314	6.3
329.10178	14.9
329.13818	1.2
345.13333	28.1
353.13849	4.9
371.11200	1.0
371.14993	14.3
389.16321	13.0
408.98895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01875	3.8
55.05511	4.7
57.01937	2.0
67.05505	6.8
67.76858	1.8
69.03431	5.0
69.07067	5.0
69.16789	2.0
71.56434	2.7
79.05503	6.0
81.03413	3.9
81.07063	18.7
81.14407	2.0
83.08611	2.0
84.36324	1.8
85.02914	6.2
85.06544	4.6
86.09705	2.4
90.94852	2.4
91.05467	11.4
93.07072	15.6
95.04975	4.5
95.08628	9.7
96.64417	1.9
97.02911	8.1
97.06544	4.0
97.30396	1.8
103.05480	3.6
104.05807	2.2
105.07033	13.7
106.07380	2.4
107.04953	5.9
107.08608	13.5
108.05313	2.8
109.06481	2.1
109.10173	7.4
109.67505	2.1
112.60211	1.9
117.07025	2.6
119.08591	3.7
121.06514	4.7
121.10159	15.0
123.04459	5.6
123.08097	6.6
123.11708	47.5
126.18632	1.8
131.04976	1.9
131.08577	4.7
133.10144	22.6
135.08035	4.2
135.11711	5.0
137.05998	23.4
137.09547	2.3
138.06305	13.0
145.06497	2.3
145.10136	5.7
146.11839	2.2
147.04413	3.5
147.11716	2.8
149.09621	2.2
151.03934	5.9
151.07602	3.2
152.04263	3.5
153.01790	2.2
161.09665	2.7
163.11220	3.2
163.14844	6.3
165.00032	3.2
165.05495	3.6
167.07057	15.1
168.07333	10.5
173.13258	11.0
174.09930	3.3
175.07582	5.4
178.97917	3.4
181.04991	8.6
181.08633	4.6
182.05354	5.7
182.09001	3.9
191.14320	100.0
192.07365	2.9
192.14630	3.3
201.09149	2.6
202.09428	3.0
204.07498	2.4
219.10249	4.6
227.13033	2.1
232.45175	2.2
249.03825	4.8
267.06808	7.6
276.48917	2.1
281.04794	2.5
338.11169	2.9
345.29492	2.5
358.13754	3.6
388.14697	21.7
389.15759	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	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	7.9
66.95114	4.9
69.03429	52.0
69.07077	7.9
69.63792	20.3
69.64205	11.7
70.06611	4.0
79.05499	10.8
81.03428	5.9
81.07040	18.9
82.85742	4.6
85.02917	10.9
85.95049	4.2
91.05466	5.6
93.07069	12.8
95.08607	10.5
96.08141	6.9
97.02888	6.7
103.05466	4.9
105.07034	7.1
107.08601	14.4
109.02915	6.0
109.06521	5.9
109.10156	5.5
111.08114	4.5
119.08593	8.4
121.06532	4.7
121.10134	13.5
123.08023	6.6
123.11773	5.9
124.07618	45.7
125.09641	19.6
130.06627	6.0
131.08557	9.9
133.10121	9.5
135.08043	13.6
137.06026	6.9
142.08659	34.3
147.11681	5.4
149.09599	6.2
153.09148	8.8
167.07014	13.1
168.07471	5.4
173.13248	19.4
175.07593	9.2
182.09041	7.2
191.14319	71.3
202.09462	5.1
209.15387	100.0
219.10112	5.3
263.87146	5.4
297.17770	6.8
325.17349	12.2
371.18063	9.3
388.15393	6.8
388.20517	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25023	0.5
53.03941	1.0
54.06695	0.6
56.96556	2.1
57.03428	0.5
66.66151	0.8
68.01403	1.4
68.46127	0.7
69.03419	1.5
71.04983	1.2
81.01652	0.5
81.03408	3.3
84.04512	0.5
84.08128	0.6
85.02902	3.5
95.02454	12.6
95.03044	0.4
97.02889	13.4
98.21119	4.8
98.97585	3.1
99.04440	0.9
109.02874	2.8
113.03489	100.0
114.03784	1.0
116.98619	2.0
123.04392	0.9
123.07939	0.6
127.03922	4.5
128.98596	1.1
134.99667	0.7
135.05478	1.0
152.07118	0.6
153.01834	4.2
158.99683	0.8
161.01273	0.7
161.90205	0.6
163.03905	0.6
167.07037	0.8
177.00728	0.7
189.17268	0.6
191.04501	0.7
221.05586	0.7
229.65405	0.7
237.02840	1.0
239.06624	33.2
244.99683	0.8
257.07574	0.9
263.00687	1.3
295.90973	0.8
301.13199	0.7
309.08539	0.6
389.05084	3.6
389.11786	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	387.253
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.03946	1.8
53.33408	0.8
55.01864	1.9
55.05508	7.1
57.03437	1.2
57.07075	2.9
59.73754	0.9
65.03955	1.1
67.05505	37.2
68.99792	4.7
69.03420	1.0
69.07072	7.6
71.05000	1.1
71.48936	1.5
77.11384	0.7
79.05050	1.4
79.05492	19.2
81.03427	13.4
81.07058	41.2
83.04971	1.7
83.08613	2.7
84.71556	0.7
85.06553	2.0
85.99908	0.7
88.37062	0.7
90.32236	0.8
91.05480	12.1
93.07051	18.8
95.04945	4.9
95.08607	31.9
97.06524	2.7
97.10172	0.9
98.21214	1.3
103.05466	0.9
105.07040	8.5
107.04980	4.4
107.08592	12.3
109.02833	1.5
109.06532	1.3
109.10155	16.1
111.00805	9.7
111.08093	1.2
112.42003	0.8
117.07035	3.9
119.08572	8.0
121.06494	3.6
121.10150	9.5
123.08099	2.2
123.11708	9.0
125.06011	1.0
125.09593	1.1
127.03917	100.0
128.04233	1.4
129.06995	1.7
131.08548	7.0
133.06487	1.3
133.10118	4.5
135.08052	2.1
135.11717	6.8
137.05980	1.6
137.09581	1.2
137.13284	4.2
139.03963	1.8
139.07556	1.3
139.11206	0.9
141.06963	1.1
143.08563	0.8
145.10129	5.6
147.08066	2.2
147.11717	4.2
149.09590	1.5
149.13254	4.9
151.07553	2.2
151.11241	0.9
151.14821	1.7
153.01840	3.8
155.07001	4.6
159.11714	3.4
161.09708	1.1
161.13292	4.7
163.14798	2.2
167.07060	6.9
169.04979	2.7
171.11714	1.3
173.13284	3.7
175.07602	2.0
175.14903	0.9
177.09109	0.8
177.16437	1.9
181.04955	24.8
183.06601	0.9
187.14825	2.5
189.12791	1.3
191.07108	1.4
191.10606	0.7
191.14307	0.8
193.08632	2.8
197.13272	0.9
207.10133	1.2
209.07948	1.3
215.14307	1.3
216.59299	0.9
219.20955	1.3
223.09706	1.2
233.15353	8.3
237.11224	1.0
243.21132	6.1
245.11868	0.9
251.12657	1.9
261.22189	7.8
265.14426	1.9
271.16943	0.8
279.15948	1.7
303.15994	1.0
303.23221	1.3
307.18893	1.0
331.19122	1.9
343.26190	1.0
345.20563	1.1
369.24173	1.3
387.16815	1.6
387.21582	1.9
387.25409	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	387.2529
Annotation	yanuthone K
Peak:m/z	Relative Intensity
53.03937	0.9
55.01851	1.1
55.05508	6.3
57.07070	1.2
65.03941	1.2
67.05504	32.5
68.99789	5.0
69.07068	6.4
70.92757	1.4
71.04993	1.1
73.93853	0.6
79.05492	14.5
81.03423	1.8
81.07057	38.9
83.04974	1.2
83.08618	3.6
85.06516	0.7
87.00784	0.9
89.68985	0.5
91.05481	8.3
93.06463	1.1
93.07046	16.8
95.04976	1.6
95.08604	30.2
97.06519	2.0
97.10167	1.0
98.21204	0.7
99.04443	1.1
99.08105	1.5
100.40893	0.6
105.07030	7.5
107.04867	0.8
107.08600	11.0
109.02837	0.9
109.06501	1.6
109.10158	15.1
111.00801	10.8
111.04477	0.9
111.08061	0.8
117.06309	0.6
117.07032	2.4
119.08584	6.4
121.10155	10.2
123.08091	1.5
123.11709	8.7
125.09634	0.6
127.03916	100.0
128.04227	0.8
129.06981	0.8
131.08546	5.7
133.10114	5.0
135.08002	0.7
135.11713	6.9
137.13234	3.7
139.03918	1.1
141.05476	0.6
145.10089	4.8
147.11690	5.1
149.09578	0.9
149.13268	4.5
151.07588	0.7
151.14871	1.5
153.01799	1.4
153.05338	0.6
155.07135	0.6
159.11644	3.3
161.06020	0.7
161.09593	0.9
161.13281	3.2
163.14822	2.6
165.09177	0.7
167.03484	1.1
167.07057	4.8
169.04976	1.8
171.11557	0.7
173.13289	2.4
177.05556	0.7
177.09161	0.8
177.12790	0.7
177.16347	1.2
181.04980	2.2
183.11734	1.0
187.11351	0.6
187.14841	2.6
189.12747	0.7
189.16382	1.0
191.10551	0.7
191.14439	0.7
193.05045	0.7
193.08575	1.0
197.13356	0.8
201.12579	0.7
201.16470	1.1
205.15869	0.8
207.10060	1.1
219.06514	1.1
229.15988	0.7
233.11899	0.7
233.22585	0.9
237.11243	1.1
243.21071	7.5
247.16908	0.8
251.12744	2.0
261.22131	7.9
265.14365	2.4
276.65652	0.7
279.15964	1.9
293.17545	1.1
303.15646	1.0
317.17438	1.1
331.18997	1.7
345.24435	0.7
369.20590	2.3
369.24576	1.3
387.25351	17.4
387.30234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	yanuthone K
Peak:m/z	Relative Intensity
53.03940	1.8
53.25095	0.8
55.01858	1.9
55.05513	8.5
57.07072	1.3
65.03940	3.0
67.01859	1.6
67.05508	72.4
68.99806	2.0
69.03420	1.5
69.07074	6.8
69.09763	0.7
70.74908	2.4
79.05498	18.1
81.07061	80.8
83.05009	0.9
83.08612	4.6
91.05482	6.5
93.07056	16.5
95.04969	1.6
95.08610	58.2
97.06512	0.9
97.10176	2.2
98.20923	1.5
105.04569	1.0
105.07007	5.1
107.08597	8.9
109.06516	2.1
109.10161	28.1
111.00783	1.8
111.04482	1.6
111.46891	1.0
117.07015	1.7
119.08607	4.4
121.10172	7.7
123.04454	2.4
123.10831	1.0
123.11709	17.1
125.09645	0.9
127.03926	26.2
131.08572	2.7
133.10133	3.4
135.08044	1.1
135.11708	7.6
137.05989	3.3
137.13269	8.4
139.03909	32.7
140.04311	0.8
141.05515	4.0
145.10117	2.8
147.11717	4.3
149.06009	1.3
149.13271	4.8
151.03886	3.7
151.14780	1.9
153.01839	100.0
153.05374	6.6
154.02228	1.0
155.03381	4.3
159.11719	2.1
161.13266	3.1
163.03937	3.0
163.14816	3.0
165.01880	2.3
165.05487	8.9
165.16432	1.1
167.03360	6.5
167.07104	1.7
169.05084	0.9
171.02933	0.9
173.13257	2.9
175.14751	0.9
177.05492	2.9
177.16396	3.7
179.03313	0.8
179.07033	1.6
181.04976	9.7
184.42107	0.9
187.14893	2.4
188.23137	0.8
191.07057	2.6
193.04967	0.8
193.08601	7.1
195.06607	3.5
203.07028	1.6
203.17876	0.8
205.08649	2.8
207.10208	1.4
217.08688	1.8
217.19543	10.4
217.27412	0.8
219.10252	1.1
219.21117	1.1
223.09641	1.3
237.11241	1.0
243.21106	5.7
251.12787	1.5
261.22165	17.3
265.14505	1.4
273.14755	0.9
300.65695	0.9
303.15976	1.7
305.17313	0.9
313.18015	1.0
317.17703	0.9
369.24152	5.3
387.25317	34.0
388.25568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	yanuthone K
Peak:m/z	Relative Intensity
53.03942	2.5
55.01867	1.2
55.05514	9.8
57.07070	2.5
64.63335	1.0
65.03928	3.8
66.47570	1.0
67.01859	1.3
67.05505	77.6
68.99785	1.4
69.03443	1.4
69.07071	8.0
69.62124	7.5
79.05492	19.3
79.05911	2.1
81.07058	82.2
83.08612	4.3
91.05482	10.5
92.91322	1.0
93.07044	20.9
93.62731	1.0
95.04970	2.8
95.08609	65.4
95.30654	1.0
97.06553	2.1
97.10136	2.2
98.20996	3.2
99.11514	1.1
105.07045	6.2
107.08586	11.3
109.09449	2.2
109.10158	27.2
111.00820	2.0
111.04477	1.7
111.08080	1.4
117.07029	2.8
119.08566	5.9
120.44561	1.1
121.10155	12.5
123.04394	1.6
123.08080	3.0
123.11701	16.1
127.03926	16.7
129.06964	1.7
131.08548	6.4
133.10110	4.1
135.11668	9.3
137.06007	3.6
137.13232	7.5
139.03902	36.1
141.05495	1.3
145.10141	3.5
147.11719	6.2
149.09589	1.3
149.13255	5.1
151.03975	1.2
151.14842	2.8
153.01828	100.0
153.05443	4.7
155.03429	3.0
159.11664	3.7
161.13272	4.3
163.03908	2.6
163.14786	3.9
165.05484	7.1
165.09109	5.3
167.03412	3.7
167.07028	2.1
171.02911	2.2
173.13234	4.8
177.05473	1.8
177.16359	4.3
179.03441	1.5
181.04958	12.3
187.14861	3.1
191.06976	1.9
193.08640	8.6
195.06529	2.5
201.16336	1.3
203.07089	1.7
203.60153	1.3
205.08574	2.6
207.10123	1.7
209.07864	1.6
217.08511	2.4
217.19527	9.7
219.21056	2.2
231.10106	1.6
237.11165	1.6
243.21008	8.0
251.12700	2.1
261.22141	18.1
265.14459	2.7
279.15866	1.5
293.17334	1.2
299.93161	1.1
340.62698	1.1
369.24307	7.6
387.25256	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	387.2529
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.03934	2.2
55.01875	1.3
55.05504	4.5
61.07784	0.8
65.03934	2.7
67.05507	40.3
69.07066	3.8
70.07838	3.7
74.99049	0.9
77.03926	1.3
79.05497	18.3
81.07059	35.0
83.01347	3.9
83.04990	1.2
83.08616	2.1
90.02034	0.9
91.05476	11.6
93.07044	15.3
95.04966	3.2
95.08613	22.8
95.09223	1.3
97.06524	1.5
98.20850	1.9
98.21429	1.3
105.07037	5.3
107.08598	9.9
109.06525	5.0
109.10153	13.9
117.07023	3.3
117.42065	0.8
119.08591	3.6
121.06483	1.4
121.10138	9.0
123.11693	5.3
131.08575	3.9
133.10168	4.8
135.11705	8.8
137.05992	11.2
137.09544	1.0
138.03128	3.9
139.07523	0.9
145.10133	3.7
147.11734	2.0
149.13272	7.2
150.86249	1.0
151.07562	2.8
151.11188	0.9
153.05449	3.0
155.07031	9.7
159.11722	3.6
161.05952	3.0
165.09096	2.9
166.02669	4.1
167.05617	2.1
167.07042	38.0
173.13275	2.2
177.05484	2.6
179.07063	1.1
181.04967	100.0
181.08359	4.7
183.06551	3.1
184.03656	4.6
189.16406	5.3
191.07040	5.7
191.18036	2.0
193.08617	8.4
205.08600	1.1
205.19666	1.2
207.10103	1.0
209.08115	6.4
215.18054	6.0
219.10210	2.1
221.11732	3.6
223.09697	1.8
233.11690	1.2
233.19022	6.4
237.11160	1.0
245.12009	1.4
342.30634	0.9
369.24466	0.8
372.13672	1.0
387.16080	7.9
387.25146	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	387.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01872	2.1
55.05503	8.5
57.07066	1.2
65.03944	1.9
67.01865	1.5
67.05505	72.1
68.99786	2.5
69.03424	1.9
69.07074	5.4
70.06458	3.3
79.05480	15.3
81.07060	77.6
82.65154	1.3
83.08606	3.3
91.05482	5.5
93.07044	12.0
95.04976	1.8
95.08612	57.9
97.10161	1.6
98.21200	3.5
105.07042	5.4
107.08599	8.5
109.06489	1.3
109.10156	34.6
111.00814	1.6
117.07082	1.4
119.04938	1.4
119.08599	4.3
121.10161	10.8
123.04414	2.4
123.11716	19.2
127.03918	15.2
131.08543	1.5
133.10133	3.4
135.11694	6.4
137.05984	3.5
137.13264	5.1
139.03900	36.0
145.10100	2.1
146.70773	1.2
147.11713	3.7
149.13248	3.9
151.03993	1.8
151.14842	1.9
153.01828	100.0
153.05455	4.1
154.02170	2.0
155.03371	2.8
159.11681	2.2
161.13278	3.3
163.03929	2.4
163.14853	3.0
165.05481	6.1
167.03419	3.4
173.13277	2.8
177.05453	1.5
177.16394	4.3
181.04980	9.6
187.14873	1.9
191.07001	1.8
193.08588	7.6
195.06569	3.0
205.08600	3.2
207.10234	2.2
217.19563	6.2
237.11276	1.5
243.21057	5.9
251.12859	1.3
261.22131	17.9
279.16043	1.4
293.17560	2.2
369.24133	4.1
387.25323	38.1
388.25562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2527
Annotation	yanuthone K
Peak:m/z	Relative Intensity
53.03944	2.1
55.01857	1.8
55.05294	0.8
55.05511	8.2
57.03435	1.6
57.07058	1.6
65.03931	2.1
67.05505	40.1
69.03425	1.3
69.07065	6.7
71.04990	1.0
77.03912	1.0
77.39546	0.9
79.05492	20.4
81.07056	43.2
83.01344	1.5
83.04955	1.2
83.08617	3.3
85.06557	1.6
91.05479	16.2
93.07046	19.9
95.04943	3.4
95.08604	29.2
97.02842	1.2
97.06500	1.7
97.10179	1.1
98.20860	4.2
105.04504	0.8
105.07021	14.2
107.04952	2.2
107.08586	14.7
109.06503	3.1
109.10161	15.3
111.08051	1.2
117.07004	4.6
118.54370	0.9
119.08579	12.2
121.06513	1.5
121.10139	12.9
123.08070	4.3
123.11702	7.3
125.05997	1.3
128.06165	0.9
129.07036	2.1
131.08563	11.3
133.10121	9.4
135.08014	2.8
135.11682	13.3
137.05972	7.8
137.09608	1.8
137.13234	1.9
139.07541	1.9
141.05479	1.7
143.08575	2.3
145.10133	7.8
147.08057	2.0
147.11668	6.1
149.09555	2.6
149.13258	7.9
151.07610	2.1
153.05476	2.9
155.05750	1.8
155.07028	34.2
156.09283	1.5
157.10060	1.2
159.11732	5.9
161.09659	1.1
161.13214	2.3
163.11221	1.0
167.03392	4.1
167.07051	22.6
169.10059	1.5
171.11771	2.5
173.13243	4.0
175.07558	1.3
175.11151	1.3
177.05586	0.9
177.12720	1.4
179.03319	1.0
179.07004	1.3
181.04953	100.0
181.08493	2.6
183.06508	2.9
185.13274	1.1
187.14835	1.4
189.12753	1.2
189.16388	7.9
191.07039	4.4
191.17905	3.8
193.08617	5.9
196.93976	0.9
205.08807	1.1
205.19467	2.7
209.08115	7.5
211.14832	1.1
215.17958	11.6
217.08714	1.4
217.12404	0.9
219.10098	2.0
221.11716	2.7
223.09641	1.5
231.10129	1.1
233.11693	1.2
233.18980	15.2
237.11156	1.3
247.16954	1.3
265.14490	1.0
275.20032	1.5
279.15887	1.1
343.26315	2.0
369.24228	6.9
387.25311	16.7
387.39944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
52.49315	0.5
54.87664	0.5
55.05500	1.6
64.22783	0.5
67.05508	3.9
67.95863	0.6
69.07069	1.5
69.44740	1.9
69.45156	2.3
76.28587	0.5
79.05492	1.6
81.07066	4.0
83.08601	0.8
91.05473	0.8
93.07040	1.8
95.08595	2.5
98.21281	2.0
100.70483	0.5
105.07055	0.6
107.08562	1.1
109.10157	1.1
110.10056	0.5
119.08577	1.1
121.10124	0.7
123.11728	0.9
131.08578	1.0
133.10117	0.5
139.03951	0.5
151.07567	0.6
153.01836	2.9
153.05560	0.6
167.07071	8.4
179.07036	0.7
181.03377	0.8
181.04964	14.3
191.06993	1.9
191.08725	0.7
193.05028	0.6
205.04997	1.7
206.05743	0.6
207.06537	2.9
209.62802	0.6
219.06578	1.8
220.07347	4.6
221.08006	0.9
231.06615	1.1
233.08110	58.9
234.08844	2.8
241.12820	0.6
247.09715	1.7
387.16577	2.5
387.25311	100.0
388.16968	0.7
388.25677	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	387.2529
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
50.41482	0.6
53.03939	1.7
54.84377	0.7
55.01874	1.4
55.05506	4.6
57.07059	1.5
65.03934	1.8
67.05507	35.8
67.48109	0.6
69.03432	0.8
69.07082	5.1
70.49132	1.9
71.36311	0.5
79.05494	15.0
81.07059	31.1
83.01332	2.5
83.04978	1.2
83.08620	1.1
85.11105	0.6
91.05484	9.7
93.07045	15.6
95.04944	1.9
95.08611	22.8
97.02884	2.2
97.06534	1.5
97.10143	0.9
98.21078	1.2
105.07034	4.4
107.04955	1.0
107.08593	8.9
109.06521	1.3
109.10161	12.6
117.07006	1.9
119.08569	4.6
121.06536	1.1
121.10141	8.8
123.11715	6.1
125.05981	1.4
131.08635	3.8
133.10101	4.1
135.08086	1.2
135.11708	8.8
137.05974	2.8
137.13271	2.0
139.07545	2.6
145.10130	3.7
147.08087	1.2
147.11700	1.2
149.13249	7.5
151.07510	2.4
153.05479	1.6
155.07039	9.4
159.11687	2.4
161.13234	0.7
161.76303	0.6
163.07465	0.6
163.11226	0.7
165.09146	1.1
167.07037	23.1
173.13271	1.6
175.07530	1.8
179.07013	1.3
181.04962	100.0
181.08484	2.5
182.05287	1.1
183.06519	2.9
189.16383	8.1
191.07018	3.6
191.17937	2.2
193.07101	0.7
193.08566	3.9
205.08640	1.0
205.19487	1.5
209.08061	5.5
215.17932	6.6
219.10269	1.4
221.11783	2.5
223.09645	1.8
231.10220	0.7
233.11710	1.0
233.19020	8.9
237.11295	1.1
245.11630	0.8
273.92633	0.6
290.51532	0.6
310.35309	0.6
356.83591	0.6
369.24368	3.4
387.25302	9.6
394.25726	0.7
409.66412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2529
Annotation	yanuthone K
Peak:m/z	Relative Intensity
52.86451	1.2
53.03941	2.9
55.01876	3.2
55.05515	11.1
57.07056	1.6
58.01377	1.2
65.03937	3.2
67.05508	89.6
68.99797	1.6
69.03421	2.4
69.07073	9.7
69.84613	7.7
79.05496	25.8
81.07061	88.4
83.08631	3.7
87.26036	1.2
88.17262	1.2
91.05481	11.0
93.07053	20.8
95.04985	2.8
95.08610	68.0
97.02914	2.8
97.06541	2.6
97.10170	2.9
103.57761	1.4
105.07034	5.0
107.04971	1.9
107.08606	13.2
109.06491	1.6
109.10159	36.5
109.50005	1.5
111.00783	2.1
111.04474	1.4
117.07009	2.1
119.08568	5.1
121.10159	12.8
123.04456	2.8
123.11706	19.1
125.05986	2.9
126.70544	1.2
127.03922	12.4
131.08568	3.3
133.10136	4.2
135.11700	13.8
137.05975	3.8
137.09659	1.7
137.13252	7.9
139.03908	30.8
145.10095	3.5
147.11691	3.3
149.13266	7.1
151.03908	1.7
153.01836	100.0
153.05376	3.0
155.03407	3.9
155.06993	7.9
159.11694	3.2
161.13278	2.4
163.03880	1.7
163.14847	2.9
165.05489	8.3
167.03407	2.5
167.07039	13.5
173.13289	2.3
175.07657	1.5
177.05490	2.5
177.12720	1.6
177.16373	4.1
181.04973	64.3
189.16449	2.7
191.07045	3.2
193.08597	10.2
195.06580	1.8
203.06984	2.1
208.63788	1.4
209.08070	4.7
215.17986	5.2
217.19554	6.8
223.09669	1.9
231.10066	1.8
233.19067	6.4
243.21074	3.4
261.22174	17.0
279.15881	3.3
284.93521	1.5
293.17325	1.9
342.82620	1.5
369.24298	6.0
387.25272	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	387.2166
Annotation	Trichodermadiene
Peak:m/z	Relative Intensity
53.03951	4.4
55.01868	1.7
55.05508	4.6
57.03433	2.0
57.07068	1.3
63.30806	0.9
65.03942	2.0
67.05167	1.5
67.05506	25.9
68.99803	1.4
69.03423	0.9
69.07069	4.7
69.31703	8.7
77.03944	1.0
79.05058	1.4
79.05495	24.5
81.03421	45.6
81.07053	20.3
83.01344	4.0
83.04971	2.6
83.08627	1.9
85.06543	2.0
88.68609	0.9
91.04968	1.5
91.05490	18.8
93.07053	14.3
95.04971	15.7
95.08614	12.1
97.02871	1.8
97.06532	2.5
98.20979	3.7
105.07035	11.0
107.04278	1.7
107.04960	21.4
107.08607	8.0
109.06530	4.4
109.10145	5.5
111.08064	1.8
115.05434	1.1
117.07038	8.6
119.08577	8.3
121.06507	11.7
121.10159	5.7
123.08042	2.8
123.11694	3.4
125.06037	1.5
125.09623	2.8
127.03913	6.8
129.06993	3.3
130.27356	0.9
131.04921	1.9
131.08575	15.0
133.06476	2.7
133.10143	5.0
135.08057	7.7
135.11697	3.0
137.05983	7.2
137.09607	2.5
139.07549	2.9
141.06989	2.0
143.08566	2.8
145.06567	1.1
145.10110	8.2
147.08037	6.8
147.11688	3.8
147.65919	0.8
149.09625	2.6
149.13222	2.5
151.07542	7.9
153.01822	1.5
153.05457	4.2
155.07050	16.8
155.08435	1.9
157.10204	1.2
159.08038	2.0
159.11713	3.1
161.09624	1.6
161.13280	1.8
163.11140	1.0
165.05531	1.7
165.09157	1.9
165.12784	1.3
167.07056	29.6
169.10121	1.7
171.11673	4.8
173.09634	1.6
173.13281	3.9
175.07550	4.5
175.14954	1.4
175.99454	1.0
177.05460	2.0
177.09138	1.3
177.16319	1.0
179.07013	1.7
181.04967	100.0
182.05295	3.2
183.06509	4.5
187.14783	4.1
189.09030	1.5
191.07007	4.3
193.08597	3.7
197.13272	3.7
201.09297	1.0
203.17783	1.0
205.08566	2.3
205.15866	1.4
209.08102	2.3
215.14310	6.5
219.10153	1.1
221.11789	1.4
223.09691	1.4
231.10193	1.2
233.15379	35.7
234.15820	1.7
301.18015	1.2
310.89127	0.9
317.90506	1.1
319.19141	1.5
343.26315	1.5
369.20444	2.4
369.24475	1.3
373.15402	1.0
387.16083	5.7
387.21548	11.6
387.25424	2.4
392.83911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2166
Annotation	17-phenyl-trinor-PGE2
Peak:m/z	Relative Intensity
53.03930	5.2
55.01863	5.0
55.05513	11.3
57.03422	7.2
57.07053	3.1
58.93979	1.7
65.03927	4.3
67.01859	2.1
67.05504	69.4
68.99781	2.8
69.03409	4.5
69.07065	12.9
69.64827	2.8
69.65234	7.8
71.04980	2.2
79.05061	2.3
79.05495	38.4
81.03419	2.1
81.07057	100.0
83.04951	5.4
83.08598	4.9
85.06529	1.9
91.04963	2.5
91.05484	32.9
93.07047	39.9
95.04962	12.1
95.08606	59.1
97.06525	4.0
97.10172	2.6
98.20850	3.8
98.21393	2.6
101.16361	1.7
105.07040	25.8
107.04956	7.7
107.08613	26.4
109.02883	2.2
109.06522	19.3
109.10152	25.5
109.89514	1.8
111.08079	2.5
117.07041	10.4
119.08588	25.8
121.06484	2.7
121.10152	16.4
123.04414	5.3
123.08063	9.7
123.11703	8.8
125.09625	19.1
127.03910	13.6
128.06197	1.8
129.06989	7.1
130.07790	2.7
131.08569	21.6
133.06505	2.2
133.10124	14.4
135.08075	9.8
135.11694	11.5
137.05974	6.0
137.09622	13.0
139.03915	12.6
139.11165	5.1
141.05467	81.2
142.07748	3.3
143.08542	4.0
145.10115	22.0
147.08026	5.2
147.11719	8.4
149.09599	5.5
149.13254	8.8
151.07539	6.7
151.11171	2.2
152.01071	1.9
153.00719	2.4
153.01836	33.4
153.05457	18.8
155.03429	1.6
155.07014	11.6
155.08432	1.9
156.09206	1.8
157.10085	7.3
159.11720	13.2
161.09648	3.6
161.13229	4.4
163.11194	5.2
163.14896	2.0
165.05476	2.9
165.09093	4.3
167.03395	50.2
167.07051	11.9
169.08578	4.7
169.10039	2.6
171.11697	6.9
173.09721	1.7
173.13272	4.8
175.07500	2.4
175.11203	2.8
175.14906	2.3
177.05461	5.3
177.12700	2.4
177.16350	2.1
179.07027	3.3
179.10597	1.9
181.04951	36.8
183.11713	2.9
185.13387	3.4
187.14827	4.7
187.21793	1.6
189.12708	2.3
189.16396	3.4
193.08626	3.6
195.06494	2.4
201.16319	8.4
205.08586	3.3
207.09953	2.9
211.14836	2.7
215.18011	5.1
217.15869	1.6
217.19476	2.2
219.17349	2.1
229.15967	3.7
233.18979	6.8
247.16948	35.4
247.87970	1.7
257.18961	5.4
259.13248	1.9
261.22092	4.5
269.22778	2.4
287.23712	8.2
297.22223	2.2
341.24658	7.4
343.26254	7.4
359.25909	2.0
369.20251	2.8
369.24197	5.7
387.21387	5.0
387.25510	19.9
387.40240	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	387.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50755	0.4
50.89255	0.4
53.03934	1.4
55.01869	0.6
55.05512	2.5
56.95679	0.6
65.03954	0.5
67.05506	5.8
69.07063	1.3
69.57644	1.8
69.58051	1.1
79.05496	12.6
79.05950	0.8
81.07068	4.2
83.01333	1.0
83.04969	1.7
85.06544	0.5
91.05486	4.3
93.07050	8.9
95.04955	1.0
95.08618	3.6
97.06509	1.6
98.20869	1.1
102.92186	0.5
105.04540	0.5
105.07031	2.7
107.08595	3.0
109.10156	1.8
111.04384	0.5
117.07021	1.6
119.08556	2.3
121.09328	0.6
121.10165	6.5
122.98367	0.4
123.04405	1.1
123.08049	0.4
131.08559	2.6
133.10118	1.6
135.08054	0.8
135.11676	1.4
141.05460	6.1
143.08548	0.7
145.10161	2.2
147.11662	0.6
153.01871	0.6
153.05487	1.0
159.11676	1.5
161.13208	0.6
163.14812	1.3
165.05484	1.0
167.03407	100.0
168.03757	1.1
177.16376	0.7
183.06497	0.9
187.14833	3.0
201.16399	0.5
203.17952	1.2
205.15874	0.8
219.06555	5.4
233.08118	0.5
245.08141	1.6
247.16347	0.6
256.42755	0.6
323.53101	0.5
359.43994	0.4
369.20587	6.7
387.21317	1.6
387.25565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01891	0.5
55.05511	2.5
57.03447	0.5
65.03942	0.8
67.05171	0.5
67.05508	6.7
68.99792	0.5
69.07067	1.4
69.39094	1.4
69.39526	1.6
77.03932	0.4
77.88255	0.3
79.05058	0.7
79.05496	11.5
81.03410	0.9
81.07062	5.3
83.01350	0.9
83.04984	2.0
85.06548	0.5
85.48384	0.4
91.05486	5.3
93.07053	11.1
95.04954	1.2
95.08620	5.5
97.02886	0.4
97.06511	1.5
98.20979	1.6
105.07049	3.1
107.08601	3.5
109.06493	0.6
109.10169	2.3
111.04428	0.6
112.44361	0.3
117.07009	1.6
119.08602	1.9
121.10150	7.5
123.04329	0.8
123.08054	0.5
123.11694	0.5
131.08560	2.5
133.10115	1.7
135.08064	0.6
135.11714	1.3
136.63098	0.4
141.05473	6.4
145.10094	1.9
147.11717	1.3
149.09619	0.5
149.13248	0.7
153.05505	1.4
155.07021	0.9
159.11662	0.9
161.13248	0.5
163.14833	1.1
165.01880	0.5
165.05438	0.7
167.03407	100.0
168.03772	1.1
177.05507	0.5
177.09023	0.5
179.03375	0.7
181.05017	2.7
181.08710	0.5
183.06554	0.7
187.14830	3.1
193.08719	0.5
203.17978	0.9
206.05737	0.5
207.06581	0.9
219.06544	4.4
229.15907	0.5
233.19102	0.7
245.08032	1.4
267.46027	0.4
343.26349	0.4
351.19571	0.5
369.20615	6.1
385.06467	0.5
387.21362	1.8
395.85901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62952	3.9
53.03937	5.5
55.01871	6.4
55.05510	11.4
55.88677	3.5
57.03444	3.9
57.07549	3.1
59.65967	3.2
65.03948	8.4
66.04078	3.9
67.05514	39.7
68.99769	4.9
69.03397	3.5
69.07061	8.2
69.39125	30.3
70.06595	7.3
71.04992	5.5
79.05499	57.4
81.03421	6.0
81.07061	65.2
83.01375	3.4
83.04971	6.1
83.08617	8.5
91.05483	67.7
93.07040	50.1
95.04972	25.9
95.08610	34.5
97.02940	4.8
97.06497	8.1
97.32327	3.4
98.21361	10.8
99.04475	5.7
105.07045	63.4
107.04943	12.2
107.08607	28.0
109.06496	12.0
109.10159	9.6
115.05417	7.1
115.08690	9.4
117.07000	29.3
119.04970	3.5
119.08599	36.9
121.06517	6.9
121.10172	17.6
122.73038	3.6
123.04402	9.0
123.08062	5.5
125.09638	3.4
125.55781	3.9
128.06187	5.4
129.07013	28.7
130.07896	4.2
131.08568	48.7
133.06529	5.8
133.10143	24.6
135.08081	25.3
135.11705	5.6
137.05942	9.1
137.09622	9.9
139.03961	8.0
141.05470	68.5
143.08556	16.6
145.10139	44.2
147.08089	5.2
147.11700	25.6
149.09636	9.5
149.13226	6.3
151.07553	9.6
153.05469	41.5
157.10147	5.3
159.08046	4.7
159.11691	18.6
161.13290	8.1
163.07617	3.5
163.11171	5.9
165.05440	6.7
167.03424	100.0
167.06990	10.3
169.10150	8.7
171.11699	32.0
173.13261	5.8
176.04868	3.6
177.05444	15.1
177.12706	4.3
179.07047	10.6
181.04971	10.9
185.13254	10.4
187.14832	28.9
189.12779	17.0
191.03371	11.0
191.07021	9.2
191.08623	3.5
193.05035	4.8
195.06575	8.0
201.16415	12.6
203.07147	3.8
204.04164	4.7
205.04913	4.9
205.08649	4.4
205.15826	9.5
206.05687	4.9
207.06503	7.7
207.10069	4.0
209.08176	9.2
211.14796	14.7
217.08585	9.9
219.06493	17.4
220.11552	4.2
223.05994	8.4
229.15904	19.8
231.10080	4.4
247.16928	26.9
301.14337	11.0
303.15897	3.4
315.09067	8.2
333.10257	6.7
349.33966	3.6
369.20627	26.9
387.14697	18.5
387.21487	43.3
387.24841	4.4
405.15710	4.1
409.96890	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89824	4.3
53.03944	8.5
55.01881	7.2
55.05504	13.2
65.08274	4.4
67.05502	52.1
68.99789	6.5
69.07062	17.3
69.45716	34.1
71.04996	10.9
79.05493	64.9
81.03423	4.6
81.07067	61.9
83.08614	8.6
84.14262	4.6
85.06557	5.4
86.93253	4.6
91.05485	83.9
93.07049	71.5
95.04984	26.5
95.08607	34.8
98.20853	8.9
98.21513	7.8
99.04438	8.9
101.82850	4.8
105.07040	85.1
107.04976	12.6
107.08592	32.8
107.13335	4.9
109.06499	8.3
109.10173	6.8
111.08121	4.6
113.09624	5.2
115.05437	7.7
115.08749	5.6
117.07035	30.6
119.08595	41.2
121.06510	4.3
121.10156	14.3
123.04425	10.8
123.08060	8.3
128.06250	8.0
129.06990	29.1
131.08562	57.1
133.10127	25.2
135.08072	27.0
135.11697	6.0
137.06033	9.7
137.09622	6.2
139.03925	6.3
141.05457	56.8
143.08577	20.2
145.10124	58.7
147.08037	11.1
147.11702	35.3
149.13322	5.5
151.07549	5.9
153.01811	8.7
153.05482	54.8
155.08586	4.7
157.10162	10.4
159.11705	13.8
161.13261	11.8
165.05504	6.3
167.03410	100.0
167.07164	6.6
169.10103	9.9
171.11699	40.4
173.13255	10.8
177.05470	7.8
179.07028	19.4
181.05016	9.9
183.11771	6.6
185.13272	13.8
187.14819	34.6
189.12801	22.7
191.07010	10.9
191.14270	8.0
195.06581	15.0
201.16330	6.6
205.04984	7.6
205.15897	12.7
209.08070	15.3
211.14807	19.6
217.08658	6.5
223.06050	15.0
229.15874	25.0
231.10248	4.8
247.17017	29.1
329.66028	5.1
369.20596	36.4
387.21268	10.5
387.25586	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	387.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.6
55.01867	4.3
55.05507	10.0
57.03449	3.2
57.07061	3.8
65.03935	2.9
67.05511	32.2
69.03423	5.6
69.07078	13.8
69.52350	12.9
69.52766	5.6
71.05003	4.8
72.78445	2.4
79.05496	40.9
81.03407	7.8
81.07063	76.4
83.05003	5.9
83.08640	3.5
85.95853	2.6
91.05486	40.0
93.07053	29.5
95.04975	75.1
95.08611	25.2
96.05304	3.2
97.02921	2.7
97.06528	5.8
98.20849	5.2
98.21481	5.5
103.05461	2.9
105.04536	2.6
105.07044	40.8
107.04964	14.5
107.08603	19.7
109.02827	3.1
109.06525	20.4
109.10148	8.6
109.32616	2.4
111.08068	4.2
113.89928	2.4
117.07044	15.6
117.68905	2.1
119.08592	26.9
121.06527	4.6
121.10188	11.9
123.04447	9.4
123.08086	9.1
127.03924	3.3
128.06158	3.3
129.07002	8.7
131.08594	18.7
133.10133	11.5
135.08063	16.9
135.11679	12.1
137.05971	5.7
137.09607	12.3
139.03925	3.6
141.05476	100.0
141.07057	4.4
143.08575	8.3
145.10118	23.3
147.08017	5.9
147.11714	6.3
149.06052	2.8
149.09590	3.3
151.07542	9.3
153.01785	2.7
153.05479	27.9
153.12903	2.6
155.08597	4.2
157.10161	3.8
159.11693	9.5
161.09598	4.6
161.13239	3.0
163.07545	3.4
163.11157	4.4
165.05428	3.5
165.09163	3.5
167.03416	81.6
167.07114	5.0
169.10249	3.2
171.11705	6.9
173.09714	3.1
173.13406	6.1
177.05501	4.3
179.07033	5.3
181.05089	4.1
182.26381	2.7
183.11697	4.5
185.13203	6.3
187.11102	3.0
187.14825	10.5
189.12781	4.6
191.07053	2.6
193.04956	2.5
201.16373	12.3
205.08548	4.7
207.10162	4.3
211.14780	6.0
219.17365	3.5
229.15858	10.4
246.73991	2.9
247.16951	43.4
293.17517	7.3
297.30078	3.1
334.27863	2.8
369.20609	6.8
387.20984	5.7
387.25403	5.2
387.29828	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	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
51.35546	1.9
53.03938	8.0
54.45432	1.9
55.01860	7.7
55.05504	6.5
57.03431	5.0
57.07069	6.4
59.05001	17.8
61.02929	6.4
62.14109	2.3
65.03933	3.4
67.05505	13.9
69.03076	3.7
69.03429	53.6
69.07065	7.9
71.04976	8.4
71.56415	3.1
73.02919	2.9
78.39596	2.5
79.05492	26.5
81.03413	12.3
81.07060	79.1
83.04973	9.0
83.08617	11.0
85.02905	41.6
85.06540	2.7
86.96709	2.6
87.04456	8.0
91.03964	2.2
91.05482	22.6
93.07038	21.6
94.04191	3.7
95.04955	11.4
95.08601	22.2
97.02884	23.2
97.06506	6.5
97.10135	3.3
98.18272	2.2
99.04453	12.8
103.05481	8.8
105.07008	18.4
106.25306	2.1
107.04957	33.0
107.08605	14.8
109.02869	10.2
109.06502	13.0
109.10151	19.6
111.04437	7.9
111.08078	5.5
115.05457	6.8
117.07012	9.5
119.04969	3.2
119.08553	13.8
121.06513	21.1
121.10134	44.1
122.03653	6.1
123.04445	14.3
123.08078	13.9
123.11716	4.2
124.05225	5.8
125.05990	25.1
125.09619	4.9
127.03929	11.5
127.07551	3.9
128.06223	2.8
129.06932	2.7
130.07817	3.1
131.04941	6.1
131.08493	3.6
133.06506	3.5
133.10141	13.9
135.04405	5.6
135.08041	4.7
135.11751	12.3
137.02367	11.1
137.05984	65.6
137.07011	2.2
137.09621	33.1
139.03889	6.8
139.07571	4.2
139.11182	100.0
141.05481	3.3
141.09091	3.0
142.76367	2.3
143.04846	3.8
143.08556	5.8
144.05713	2.9
145.04985	5.7
145.06465	13.6
145.10085	11.6
147.04416	3.2
147.08037	4.6
147.11630	4.5
149.05972	4.7
149.09596	6.9
151.03894	15.6
151.07581	11.9
152.04752	2.3
155.06085	3.2
157.10078	2.6
158.07256	9.8
159.11780	2.4
161.05962	6.7
161.09645	17.2
161.13245	3.8
163.03958	5.3
163.07458	3.1
163.11177	11.5
165.05516	5.0
165.09099	25.2
165.12791	6.4
166.06238	3.3
167.07056	73.8
167.08353	2.6
167.10677	6.3
168.07475	3.3
169.08699	4.5
173.06009	7.1
173.09644	20.7
175.07516	6.4
177.05452	7.2
177.08920	2.4
179.07063	3.2
179.10677	6.9
179.14340	4.2
181.04984	24.1
181.08603	55.0
181.12212	65.9
182.05611	2.7
183.06441	2.4
183.10132	7.5
187.07565	9.1
189.09128	5.8
189.12762	5.2
191.06992	13.5
191.08524	2.8
195.02998	3.2
195.08101	4.3
195.10181	4.2
201.09068	20.2
203.06999	3.7
205.08537	6.8
207.06465	2.7
207.10168	3.1
207.13818	71.3
217.08609	7.4
219.08061	2.6
223.07655	2.7
224.08475	2.4
225.11313	4.5
225.14851	89.2
233.06129	3.2
233.08078	13.6
233.11668	18.9
234.06749	4.5
235.07561	6.5
237.09099	3.8
238.06232	2.3
247.07607	3.8
249.09064	4.7
251.06808	3.7
252.07745	2.8
263.07034	5.6
264.07892	3.7
265.08517	4.9
267.10175	2.6
271.06137	3.7
277.08536	6.2
279.06619	3.6
279.10107	2.9
281.08188	3.2
282.08957	2.8
293.07968	3.3
295.09509	5.5
299.08923	3.5
307.09650	3.8
309.11343	6.3
311.09039	3.6
315.04861	5.3
323.09198	2.7
324.16870	5.4
325.10757	4.1
337.10498	4.7
339.12347	6.0
343.08078	7.9
343.11819	2.8
355.11783	10.0
357.13486	10.6
359.15067	4.4
369.13538	8.1
370.17700	8.6
387.10571	8.8
387.14377	52.3
387.20087	9.8
387.24707	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01869	2.7
55.05526	2.4
57.03437	2.1
65.03913	1.6
67.05505	6.0
69.03444	9.4
69.37822	13.0
70.06581	1.8
71.04984	2.7
73.55653	1.5
79.05503	5.8
81.03423	6.7
81.07057	5.5
83.04978	5.7
85.02911	14.9
85.06499	2.1
91.05495	8.6
93.07043	4.7
95.04982	4.0
95.08618	7.6
97.02892	4.2
97.06546	3.5
98.21476	2.2
99.04451	1.8
99.08083	4.2
105.07047	6.2
106.02906	3.1
107.04970	3.2
107.08601	4.8
109.06494	9.6
109.10172	3.4
111.04417	4.1
115.05501	1.8
117.06946	1.6
118.53937	1.4
119.08588	4.8
121.06516	2.9
121.10149	6.4
123.04435	4.4
123.08074	100.0
124.03954	3.6
125.05951	1.6
125.09576	1.6
127.03918	5.8
130.91223	1.4
131.08571	1.4
133.06500	2.6
133.10107	4.2
133.20554	1.4
135.04428	6.0
137.02351	5.4
137.06013	7.9
137.09641	3.6
139.03885	4.1
145.04974	2.2
145.06474	2.3
145.10040	2.8
147.04385	1.6
147.08014	2.9
147.11665	1.5
149.05977	1.8
149.09631	4.4
151.03893	3.2
151.07509	3.7
151.11226	2.1
153.01851	2.1
159.08023	1.9
161.05981	2.6
161.09650	5.4
163.03922	6.1
163.07597	2.5
163.11168	4.4
165.05534	1.5
165.09160	5.2
167.07120	7.2
167.10756	2.7
173.06013	1.6
177.05406	2.3
181.04971	5.8
181.08633	1.7
181.12250	5.9
189.05466	2.5
193.08640	2.2
195.10074	1.6
202.06270	1.4
203.07079	2.7
205.08546	3.1
207.10080	1.7
207.13779	7.4
225.11276	1.8
225.14818	11.6
249.09013	2.1
269.08276	2.2
271.05939	1.6
325.10919	2.3
343.08139	3.1
343.11819	2.2
355.11877	2.4
369.13519	2.1
387.10553	5.4
387.14954	7.5
387.19794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
52.95461	12.2
67.05492	16.9
69.03431	33.1
70.06583	89.8
70.56252	37.1
71.06932	25.5
75.02679	9.9
75.70026	11.0
81.07078	13.6
85.02917	71.7
95.08611	85.0
97.02867	12.9
98.21219	27.1
105.07076	24.8
109.10181	24.1
119.08584	40.1
123.04445	22.5
123.08092	26.5
123.11719	72.0
131.08597	14.3
147.11771	26.5
149.09612	19.3
151.07475	14.0
161.13286	21.5
177.05499	26.9
178.05743	16.2
189.12802	20.2
207.13792	100.0
219.90630	10.1
221.92668	14.2
225.14896	30.2
247.25868	11.3
351.18204	21.5
387.16211	48.1
387.20627	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	387.2012
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
61.02901	13.5
61.23471	13.5
67.05503	21.6
69.03415	67.4
70.06586	26.6
70.90677	24.6
79.05478	32.2
81.03429	18.2
81.07032	29.5
83.04987	14.8
85.02882	51.3
93.07030	24.9
94.45755	14.0
97.02874	32.5
98.21352	18.5
103.05430	17.3
105.07026	62.0
107.04961	35.3
107.08563	26.8
109.06500	24.1
109.10146	35.6
113.03583	17.0
117.07014	15.3
119.08560	35.0
121.06458	17.1
123.04427	31.4
123.08036	15.1
123.11711	15.3
133.06479	22.8
133.10121	34.7
135.08037	16.0
137.05989	38.8
137.09590	56.7
139.03928	17.2
147.08080	29.2
149.09639	29.7
151.07426	15.1
161.09619	66.4
163.03888	26.9
163.11201	20.9
165.09073	63.7
165.50858	15.9
167.07025	51.6
169.90283	13.7
171.11603	18.2
179.10588	19.6
180.66592	13.5
181.08604	17.0
189.12712	33.9
207.13792	100.0
217.08914	15.3
225.14835	66.6
231.10272	13.8
387.14688	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03933	3.6
55.01863	4.7
55.05506	4.4
55.35909	1.4
57.03434	4.6
57.83792	1.4
61.02917	5.7
65.03923	1.8
67.05525	8.1
69.03435	16.5
69.07086	2.7
69.54414	1.6
70.06582	5.0
70.96701	3.8
71.04990	2.9
73.02949	2.0
79.05489	9.2
81.03418	9.2
81.07062	23.1
83.04977	4.6
83.08604	1.6
85.02909	100.0
85.06542	2.6
91.05480	7.0
93.07070	7.7
95.04964	5.5
95.08612	8.5
97.02901	13.8
97.06550	2.2
99.04453	3.9
102.94278	1.6
105.07050	8.1
107.04943	5.8
107.08595	8.0
109.02881	4.5
109.06509	6.8
109.10144	12.8
111.04420	4.0
115.05473	2.5
117.06980	1.7
119.04922	1.8
119.08604	9.7
121.06517	3.7
121.10168	8.9
123.04467	4.2
123.08084	19.9
123.11713	85.3
125.06000	7.3
125.09639	1.5
127.03911	10.2
131.04933	1.9
131.08569	5.2
133.10130	5.7
135.04462	3.3
135.08031	2.0
135.11690	1.7
137.02336	4.3
137.05986	11.9
137.09641	7.5
145.04985	8.1
145.10095	2.0
147.08064	4.2
147.11729	4.8
149.09628	12.2
151.03888	1.9
151.07501	4.6
151.11191	3.5
161.09665	8.3
161.13252	7.4
163.03888	1.9
163.11162	4.0
165.09109	17.1
165.12766	2.8
167.07005	13.5
167.10760	1.8
173.06010	2.3
175.07518	1.6
177.05498	2.2
177.12672	2.7
179.10765	2.4
179.14252	1.6
181.04993	4.2
181.08646	1.7
189.12738	8.1
191.07062	2.1
193.08588	2.0
203.06975	2.3
207.10155	2.5
207.13824	58.5
208.04309	3.4
225.14845	40.2
226.05357	2.7
233.08025	3.8
238.06247	2.0
243.13458	2.1
263.06946	2.5
277.08487	1.8
286.29398	1.8
299.09171	2.3
308.53064	1.6
329.59402	1.6
337.10675	1.7
343.08130	2.1
355.11832	7.7
357.13440	2.3
372.44806	1.6
387.10596	5.2
387.14685	11.7
387.20065	3.4
405.01529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04140	2.5
53.03942	6.3
55.01875	5.4
55.05516	6.6
60.59500	2.4
65.03941	2.4
67.05505	24.6
69.03430	6.3
69.07067	6.5
70.06586	7.4
71.04973	2.8
71.57865	4.9
79.05488	27.8
79.14910	2.4
81.03409	3.4
81.07066	56.7
83.04974	4.8
83.08622	3.3
91.05492	43.8
93.07030	17.7
95.04988	14.8
95.08627	22.9
97.06543	7.0
98.21028	2.8
103.05476	38.5
105.07035	29.5
107.04945	23.8
107.08622	15.7
109.06541	17.1
109.10177	6.1
111.04430	3.5
115.05479	14.0
115.08695	7.7
117.07024	30.7
119.04926	8.9
119.08564	17.6
121.06490	8.1
121.10136	8.9
122.03668	6.7
123.04430	6.1
123.08085	5.1
128.06226	13.1
129.07024	7.2
131.04950	22.1
131.08571	11.8
133.06467	8.9
133.10135	9.0
135.08037	17.9
135.11661	4.4
137.05988	69.3
137.09576	5.4
139.03850	4.5
139.11137	3.1
141.05466	51.6
143.04912	5.3
143.08562	30.5
145.06479	8.2
145.10120	13.0
147.08063	8.6
147.11694	4.6
148.05183	3.8
149.09631	6.9
151.03893	12.6
151.07545	46.9
153.01872	7.5
153.05455	18.6
155.08493	4.1
159.11723	7.2
159.56145	2.7
160.05202	6.2
161.05992	4.6
161.09651	4.5
161.13275	3.2
162.06769	4.8
163.07545	48.7
163.11192	2.9
165.09138	22.2
167.03410	43.5
167.07056	8.1
171.08075	31.6
171.11656	5.3
173.05968	3.9
173.13333	3.9
175.07565	54.5
175.11137	12.7
177.09140	11.2
179.06966	2.7
179.08548	5.5
181.04996	7.1
187.07533	4.1
188.08308	22.9
189.09166	8.1
193.05045	4.1
201.16364	7.3
203.10667	100.0
207.08131	7.0
211.14781	4.8
224.08392	3.4
229.15800	6.0
235.07542	6.0
237.87976	3.0
238.09946	5.4
239.10753	6.7
241.08884	2.8
247.16937	20.6
263.12885	6.6
266.09189	2.9
267.10178	7.7
269.07977	4.3
281.11713	13.4
283.09583	3.9
298.12277	3.4
299.12845	33.2
326.44339	2.6
327.15854	25.2
329.13742	6.2
345.17044	3.7
369.20673	5.3
387.17715	15.6
387.25223	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	387.144
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
52.25050	0.5
55.01864	0.7
61.31247	0.5
65.03928	1.6
67.05504	1.4
69.03413	0.7
69.07079	0.8
70.09975	2.1
71.60838	0.5
79.05485	1.6
81.03403	0.8
81.07054	2.0
81.91875	0.5
85.02885	0.9
91.05470	1.9
93.03387	0.8
93.07030	1.6
94.04198	0.8
95.04955	1.1
95.08586	1.7
97.06544	0.6
103.05453	1.1
105.07027	1.8
106.04195	0.7
107.04984	2.4
107.08605	1.0
108.47224	0.6
109.02867	0.6
109.06528	0.6
109.10165	0.7
110.03655	0.7
111.04446	1.1
115.05444	1.4
117.06990	1.5
119.04921	0.9
119.08558	1.0
121.06483	2.0
121.10141	0.8
122.03638	1.6
123.04433	1.5
123.11726	0.6
125.06031	1.6
128.06244	0.6
129.06982	0.6
131.04941	1.4
131.08578	0.6
133.10143	1.1
135.04379	0.6
135.08047	0.7
137.05974	12.1
138.03151	0.5
139.03893	1.4
143.08554	0.6
144.05794	0.7
145.06496	1.8
145.10147	0.8
147.04431	0.9
147.11748	0.5
148.05231	0.7
149.05946	0.7
151.03969	1.1
151.07512	2.6
152.06241	0.8
153.05469	2.4
153.06921	0.6
155.08531	0.8
159.04488	0.6
159.07977	0.6
159.11760	0.6
161.05968	0.9
163.07607	0.9
165.06961	3.2
165.09064	0.9
166.07745	1.2
167.07066	10.4
167.08464	0.7
173.06020	1.8
175.07567	1.2
177.05502	0.6
177.09106	0.7
178.07816	1.5
179.07086	0.7
179.08545	1.3
181.04958	5.5
181.06483	1.9
182.07278	0.6
187.07552	0.6
191.07034	1.4
191.08633	0.8
193.06549	1.0
194.07304	3.0
195.08051	2.6
196.08839	0.6
197.06004	2.0
197.09619	0.8
199.07500	0.6
201.09039	0.7
202.07904	0.6
205.06532	2.1
205.08438	0.7
206.07265	1.3
207.08057	1.7
208.08844	1.5
209.05978	1.2
209.09694	1.5
210.06819	2.2
211.07602	2.0
212.08344	1.1
218.07143	0.7
219.08073	1.9
221.05966	1.6
222.06776	5.2
223.07487	3.6
224.08299	2.5
225.05557	0.9
225.09164	2.4
226.06248	0.7
227.06987	1.6
231.07971	0.7
233.08022	1.4
234.06795	2.1
235.07501	3.6
236.08296	1.5
237.05461	1.6
237.09038	3.6
238.06203	1.2
238.09930	1.4
239.06908	2.6
239.10658	0.8
240.07791	2.2
241.08556	1.7
247.07608	0.7
249.05632	0.7
249.09129	2.4
250.06219	2.9
250.09802	0.6
251.07043	3.6
251.10712	0.8
252.07755	3.7
253.04959	0.9
253.08636	2.3
254.09407	1.0
255.06581	1.0
255.10214	1.1
257.08224	0.9
260.08432	0.6
263.06885	1.3
264.07837	2.6
265.08585	21.9
266.06100	0.6
266.06561	0.7
266.09320	4.4
267.06522	1.5
267.10083	1.4
268.07248	3.0
269.08118	1.0
269.11819	1.2
270.08978	0.9
277.08539	1.1
279.06534	1.5
279.10181	1.1
280.07346	1.2
281.08099	3.5
281.11310	1.2
282.08850	3.0
283.09589	2.2
283.12689	0.6
284.10376	0.8
285.11145	0.9
293.08112	1.3
294.08893	1.4
295.09705	1.9
295.13065	0.7
296.07327	0.6
296.10553	2.1
297.11072	1.1
298.08429	1.1
299.12836	1.2
300.09998	0.6
305.08310	0.7
307.09659	1.0
308.10577	0.7
309.07761	0.9
309.11172	14.8
310.08353	1.3
310.11685	0.8
311.09195	1.1
311.12775	2.2
312.10065	0.8
313.10895	0.9
315.12082	0.9
323.09189	0.9
325.10672	4.1
326.11557	1.0
327.12332	3.1
337.10919	1.5
339.12222	1.6
341.13864	2.1
343.11783	1.1
357.13266	2.8
359.14648	1.4
369.13446	1.5
387.14386	100.0
387.30444	2.3
388.14645	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	387.1439
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03966	0.8
55.01873	0.9
55.05505	0.7
63.59711	0.5
64.13998	0.5
65.03933	2.1
67.05493	1.6
69.03446	0.6
69.07068	0.6
79.05476	1.9
81.07058	2.6
82.70039	0.5
83.49917	0.5
85.02933	1.1
90.09138	0.6
91.05488	2.6
93.03437	0.7
93.07036	1.3
94.04197	0.8
95.04974	1.4
95.08595	2.3
97.06515	0.8
97.10209	1.2
98.21338	2.1
103.05482	1.3
104.57009	0.6
105.03410	0.6
105.07042	1.6
107.04959	2.0
107.08604	1.1
109.02853	0.6
109.06490	0.8
109.10158	1.4
110.03665	0.7
111.04426	1.3
115.05455	1.8
117.07027	2.3
119.04931	1.2
119.08561	1.1
121.02938	0.7
121.06509	1.0
121.10149	1.0
122.03671	2.6
123.04433	2.5
123.08085	0.9
123.11671	0.7
124.05210	0.6
125.05991	1.6
129.07025	0.9
131.04927	1.4
133.06448	0.6
135.04445	0.6
135.08101	1.0
137.02412	0.7
137.05984	34.4
139.03915	0.6
143.04956	1.7
145.06473	2.3
145.10135	0.6
147.08061	1.0
148.05219	1.0
149.05991	0.8
149.13242	0.8
151.03935	3.2
151.07555	7.3
152.04741	0.6
153.05472	2.0
153.07004	0.8
155.06055	0.8
161.06006	2.2
161.13284	0.6
162.03088	0.6
163.07591	1.3
165.05730	0.8
165.06876	2.7
165.09149	1.0
166.07779	0.8
167.07060	14.7
167.08429	1.1
173.06003	2.8
173.09634	0.7
175.07602	1.4
177.05504	0.7
177.09052	0.6
178.07732	1.0
179.07079	1.1
179.08537	1.4
181.04973	8.7
181.06503	1.6
181.08650	1.1
182.07321	1.2
183.08002	0.9
184.08792	0.6
189.07086	0.8
189.09012	0.9
189.11197	0.6
190.07758	0.6
191.07060	2.5
193.06503	1.1
193.10220	0.8
194.07315	2.8
195.06532	0.8
195.08046	2.7
196.08751	0.8
197.06003	1.3
197.09601	0.9
199.07468	0.7
200.08386	0.6
201.09134	0.6
203.06976	0.7
205.06512	1.4
205.08517	1.0
206.07240	1.0
207.06442	0.8
207.08102	2.1
208.08864	1.2
209.06056	1.5
209.09605	1.5
210.06834	1.5
211.07549	2.0
212.08316	1.5
217.08517	0.6
219.08101	1.3
220.05244	0.7
221.05968	1.7
221.09607	1.0
222.06754	5.1
223.07454	2.7
224.08382	1.4
225.05432	0.7
225.09171	1.7
226.06294	1.0
226.09776	0.6
227.07069	1.4
233.08087	1.7
234.06708	1.6
235.07533	3.6
235.09567	0.7
236.08282	2.1
237.05539	1.1
237.09129	3.5
238.06339	1.0
238.10081	0.7
239.07069	2.4
239.10651	0.8
240.07857	2.8
241.08591	1.6
247.07480	0.7
249.05412	1.0
249.09164	2.0
250.06172	3.5
250.09889	0.6
251.07051	4.4
251.10591	1.5
252.07799	3.8
253.08557	3.6
254.09441	1.3
255.06578	1.2
257.08200	1.4
263.07050	1.3
264.07870	1.7
265.08612	21.7
266.06555	1.0
266.09222	4.4
267.06488	1.7
267.09991	1.3
268.07327	1.9
269.08197	0.9
269.11761	1.2
277.08652	1.8
278.09546	1.0
279.06580	1.5
279.10001	1.4
280.07263	1.6
281.08087	3.8
281.11441	1.3
282.08914	3.0
283.09695	2.9
284.10425	0.7
285.11301	0.7
293.08173	1.5
294.08835	2.0
295.09772	1.8
296.10437	1.9
297.11310	1.7
298.08176	1.1
299.09467	0.8
299.12857	1.5
307.09680	1.5
309.11237	15.7
310.11987	1.0
311.09277	1.1
311.12744	1.8
312.10043	1.0
313.10718	1.0
314.11523	0.9
315.12335	0.8
323.09039	1.0
325.10611	4.0
326.11545	0.8
327.12073	2.9
337.10721	1.3
339.12308	1.3
341.13937	2.0
343.11783	1.5
351.12091	0.7
355.11667	1.9
357.13321	3.4
359.14908	1.4
369.13254	1.3
387.14395	100.0
388.14578	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	386.1597
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
55.04235	0.5
59.54544	0.5
68.99792	1.4
69.62878	1.7
69.63301	1.3
70.06595	100.0
79.05494	0.6
81.07040	0.5
85.40665	0.5
91.05479	1.2
93.07059	0.5
95.04904	0.4
98.21462	0.6
103.05514	0.5
107.04951	1.1
119.04955	1.6
121.06494	2.1
123.04441	10.0
135.04384	2.3
137.06053	0.4
147.04422	7.8
149.05998	5.5
152.23984	0.4
159.04472	0.9
161.06006	0.8
165.05504	3.3
173.06012	0.6
177.05475	58.0
178.05756	0.8
207.06573	0.8
234.11234	3.7
286.61139	0.4
329.06287	0.6
329.10181	11.0
386.15982	41.2
387.16000	0.5
387.85132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60349	0.8
53.03954	1.3
53.65394	0.6
55.01883	0.8
56.31288	0.7
57.03439	1.4
58.06598	1.5
59.05018	0.9
61.02917	1.8
69.03436	6.6
70.00989	4.0
70.06595	1.7
71.04998	1.2
73.06559	3.2
81.03416	3.6
85.02421	1.1
85.02912	16.1
85.06541	1.1
91.03906	0.9
91.05493	2.7
97.02895	5.7
98.20780	1.0
98.21325	1.5
99.04496	1.4
99.53320	0.8
103.05477	4.3
105.07040	13.6
107.04972	3.5
109.02896	1.8
117.60042	0.7
118.06540	5.9
119.07251	1.0
120.08108	12.9
121.06519	0.8
125.21951	0.9
127.03909	2.6
128.06242	2.0
130.06558	1.2
131.04948	2.8
131.07332	1.5
131.08575	1.2
132.08118	1.1
137.02423	1.2
138.31239	0.8
143.08585	2.5
145.05014	2.3
153.01839	3.3
155.19418	0.8
160.11227	59.0
161.11482	1.4
165.01840	2.1
167.07132	1.1
177.05592	0.9
178.12280	51.3
183.02875	5.6
196.06134	5.0
206.11714	9.0
224.12822	100.0
225.13234	2.1
248.12801	0.9
330.11618	0.8
350.16116	1.9
386.18130	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67362	2.3
55.01873	6.9
57.03434	13.3
59.04982	4.0
61.02936	15.3
62.70523	2.4
66.53387	2.5
69.03429	33.0
70.06590	4.8
71.01372	3.7
71.07742	3.7
71.08071	5.0
73.02921	77.7
73.06557	5.9
81.03415	7.4
85.02907	100.0
87.04449	5.2
91.03953	4.8
97.02899	56.8
99.04449	3.6
109.02882	9.7
113.55393	2.5
115.03938	30.5
122.33587	3.1
127.03911	29.5
133.04970	44.4
145.04973	56.8
145.06128	3.0
163.06004	34.2
177.05475	4.2
196.68484	2.6
222.34151	2.9
223.05920	6.4
237.13385	4.3
241.07091	7.4
259.08139	9.8
295.10248	5.2
319.81015	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.43208	2.9
57.03436	19.2
57.72132	3.1
61.02931	15.7
69.03431	39.4
69.92570	13.4
70.06242	4.7
70.06598	57.1
71.01330	5.7
71.04945	3.6
72.32987	2.9
73.02922	74.8
73.06544	8.7
80.62658	2.8
81.03422	10.2
82.44498	2.9
83.36237	2.9
85.02909	100.0
85.87543	3.3
87.04461	6.7
91.03942	7.8
95.04971	3.5
97.02892	61.1
98.20832	6.2
98.21407	6.4
103.03944	4.2
107.65742	2.7
109.02879	9.9
112.61549	2.9
115.03935	27.7
120.08128	4.9
123.04440	7.9
125.44627	2.7
127.03921	36.2
133.04964	34.2
134.90114	3.7
140.07109	3.7
140.93849	2.8
145.04973	57.8
147.04381	4.4
149.06076	3.3
150.07663	4.1
153.01816	10.0
163.03746	2.9
163.06029	25.8
165.05563	3.6
167.07024	3.9
177.05447	31.3
223.06076	6.0
237.13362	4.2
241.07089	7.2
259.08157	5.5
276.45013	3.4
295.10159	5.2
386.16058	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	386.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.05495	9.1
57.03442	2.4
57.07073	12.7
67.82887	2.2
69.03408	7.4
70.06598	28.5
70.30371	2.1
71.56612	2.5
72.29600	1.9
73.06560	2.3
79.05500	3.6
81.03407	7.5
81.07056	3.2
83.04975	5.9
83.08611	3.7
83.38089	2.1
85.02909	15.5
86.09670	2.3
89.06032	73.6
91.05468	6.6
95.04926	3.0
97.02893	5.6
101.09662	11.0
105.07040	3.7
106.02898	9.2
106.03603	2.2
107.08616	3.6
109.02885	3.4
109.10125	3.0
119.04929	3.9
121.10072	3.0
123.04407	7.6
123.08064	14.9
124.03935	13.3
127.03915	6.2
129.07048	2.3
131.04945	3.0
133.08603	17.0
135.04433	3.6
137.05995	7.5
145.04916	3.2
145.12238	11.2
151.03903	2.7
151.07639	2.4
151.09666	26.6
161.05949	3.4
162.06303	2.6
163.11232	2.9
167.07042	6.1
175.07635	2.9
177.05467	16.4
181.04948	4.0
207.09924	3.3
207.15929	100.0
250.06926	2.3
268.08072	6.6
294.11975	3.3
309.30746	2.9
329.10217	2.9
343.07861	2.7
354.14224	4.3
386.16623	11.3
387.10397	4.9
387.14877	2.8
408.33591	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	385.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
53.42861	1.4
55.05512	6.5
65.03922	2.1
67.05506	17.6
69.07055	3.9
69.73685	8.5
77.50704	1.3
79.05061	1.9
79.05491	27.5
81.07050	17.8
82.97076	1.2
83.01373	1.5
83.08617	1.9
91.05479	25.8
93.06466	2.2
93.07044	40.7
95.04919	1.5
95.08607	13.2
97.06516	2.3
98.20825	2.8
105.07028	25.3
107.04953	1.7
107.08587	26.3
109.06514	2.5
109.10132	4.1
117.07003	4.0
119.08573	21.6
121.06487	3.0
121.10143	16.7
125.05993	1.9
129.06992	3.0
131.08582	8.6
133.10129	30.3
135.11688	20.0
137.05960	3.8
139.07524	2.5
143.08568	4.0
145.10118	10.1
147.07985	1.9
147.11699	27.7
149.13188	6.8
151.07538	3.6
153.05412	2.2
155.07021	10.0
157.10083	6.4
159.11699	3.0
161.13229	2.8
162.23645	1.3
165.09068	2.2
167.07039	29.8
171.11678	5.1
173.13260	1.5
175.07515	2.4
181.04955	100.0
181.08527	3.7
183.06528	3.1
185.13239	1.9
187.14801	18.9
188.15253	1.5
189.16368	19.1
191.07019	3.6
193.08614	6.2
203.17970	6.0
205.08618	1.4
209.08051	4.9
213.16385	23.7
219.10258	2.6
221.11710	3.3
223.09586	5.2
231.10100	3.7
231.17433	34.3
232.17667	1.4
233.11563	2.3
237.11177	1.9
367.22696	16.5
385.23645	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	Ethynodiol diacetate
Peak:m/z	Relative Intensity
51.65156	2.1
53.03938	6.8
55.01862	3.5
55.05506	11.7
67.05507	38.9
69.07059	7.9
69.44703	14.8
75.50217	2.1
79.05500	60.6
81.07066	48.9
83.08586	3.3
91.05483	40.4
93.07050	100.0
94.07391	2.3
95.04961	9.0
95.08603	28.9
105.07049	26.0
107.04989	2.7
107.08600	49.6
109.06477	2.7
109.10160	12.9
111.00812	2.8
113.26872	2.4
117.06944	5.0
119.08598	22.9
121.10149	45.8
123.04395	3.2
127.03907	7.1
129.06967	3.9
131.08568	11.9
133.10144	32.4
135.11707	54.6
136.20705	2.4
137.06058	6.2
139.03911	35.7
141.53558	2.1
143.08522	3.7
145.10132	10.7
147.11723	26.2
149.13252	25.5
153.01840	98.2
153.05484	4.4
155.03372	4.4
155.07011	8.9
157.10094	4.4
159.11684	6.7
161.13269	10.4
163.03969	3.2
163.14879	7.7
165.05466	11.1
167.07051	21.4
171.11707	5.6
173.13255	4.7
175.14835	8.4
181.04967	86.0
181.08528	3.9
182.84804	2.6
185.13310	3.2
187.14807	15.6
187.16223	2.4
189.16408	10.1
191.07091	6.4
193.08620	10.7
203.17958	5.8
205.08438	2.7
209.08066	5.7
213.16408	20.7
215.17932	13.0
217.19559	4.6
221.11691	2.8
223.09698	6.5
231.10254	2.8
231.17436	20.8
241.19527	8.2
259.20618	26.1
285.14923	2.8
367.22702	19.4
385.23755	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03936	2.8
57.03421	1.4
64.77991	0.8
69.03426	10.6
70.06594	81.5
70.54706	1.4
70.55118	2.5
71.06948	0.9
73.52628	0.7
73.81040	0.8
74.14297	0.7
78.03030	0.8
78.03455	15.1
78.75843	0.8
80.05016	2.0
81.03417	16.9
81.07027	1.3
85.02912	10.9
91.05470	2.0
96.04482	3.4
97.02868	4.5
98.21218	1.6
99.04449	2.4
106.02918	65.0
107.96117	0.8
109.02880	11.3
119.04928	2.3
121.06485	2.0
123.04421	10.6
124.03953	100.0
127.03937	7.4
135.04414	1.0
147.04422	7.6
149.05997	2.7
157.15459	0.9
161.06035	0.9
165.05428	4.1
166.05020	3.2
177.05470	33.4
207.06422	1.6
219.12483	0.8
232.06039	5.1
234.11259	1.0
250.07115	25.3
268.08157	35.8
286.09207	4.9
299.82813	0.7
329.10132	11.8
386.15964	27.9
387.16495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2373
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
52.33168	1.3
53.03937	3.2
55.01871	3.1
55.05503	4.9
55.72821	1.4
57.07060	1.9
67.05508	16.1
69.07046	3.3
69.59554	4.6
69.59962	4.4
73.42764	1.1
77.38637	1.1
79.05499	24.6
81.07054	21.4
83.01357	3.7
91.05479	23.4
93.07050	38.2
95.05000	3.1
95.08604	15.9
97.06507	1.3
98.20865	2.9
98.21529	2.2
105.07037	30.6
106.87156	1.2
107.08598	23.2
109.06516	4.7
109.10178	5.5
117.07042	6.5
119.08591	21.3
119.78075	1.3
121.06519	3.2
121.10156	16.8
123.11699	1.3
128.47072	1.7
129.07051	4.5
130.12329	1.4
131.08574	11.1
133.06635	1.4
133.10136	33.2
135.11688	20.8
137.05981	8.5
143.08565	3.2
145.10139	9.7
147.08054	1.4
147.11705	30.0
147.12793	2.7
149.09673	2.4
149.13268	7.4
151.07574	3.1
153.05464	3.0
155.07074	10.2
157.10126	3.2
159.11676	2.5
161.05977	3.0
161.13269	3.8
165.05522	1.8
165.09099	2.1
165.12711	2.1
166.02635	3.6
167.07050	46.0
170.74852	1.4
171.11694	6.6
173.13263	1.6
179.07079	2.6
181.04962	100.0
181.08562	4.5
182.05432	1.8
183.06540	2.1
184.03679	2.4
185.13309	3.3
187.14832	25.0
189.16405	14.1
191.07045	4.3
193.08595	13.4
199.53876	1.5
203.17981	7.2
209.08081	6.0
213.16393	26.0
219.10240	2.3
221.11765	5.7
223.09695	4.5
231.10106	3.3
231.17441	36.1
233.11642	1.7
235.13258	1.7
237.11356	2.9
239.69234	1.5
250.08395	1.3
264.84616	1.3
301.18018	1.6
330.68671	1.4
367.22717	9.5
385.23721	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	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01370	1.8
55.05495	6.3
63.55619	1.4
67.05504	15.6
69.03420	1.8
69.07052	5.4
69.55804	9.2
69.56217	3.2
72.87762	1.5
79.05137	1.8
79.05505	19.1
81.07060	15.6
83.01324	4.5
83.08597	4.6
85.06515	2.7
91.05478	23.0
93.07048	26.6
95.04966	2.7
95.08607	12.4
97.06522	4.8
97.10157	6.4
98.21098	6.0
105.06384	3.1
105.07035	49.7
105.10880	1.9
107.08587	13.8
109.06536	4.3
109.10173	5.8
111.08067	2.5
117.07034	9.4
119.08600	14.7
121.06555	2.3
121.10134	12.5
123.04469	2.3
123.08077	2.1
125.05971	2.2
127.03926	2.7
128.06168	1.7
129.06996	6.3
131.08578	14.5
133.10133	76.2
134.03854	1.7
134.10551	1.7
135.11688	17.9
137.05920	5.3
139.03920	10.3
139.07521	4.8
143.08545	5.3
145.10118	7.3
147.08031	4.4
147.11687	20.3
149.13240	9.4
151.07532	11.2
153.01834	19.0
153.05421	4.4
155.03369	3.0
155.07062	10.2
157.10133	4.0
159.11688	6.1
161.13228	3.0
165.05460	4.2
165.09117	3.8
167.07048	43.9
171.11678	12.6
173.13242	4.9
175.07513	6.1
176.02342	1.5
177.05475	2.0
181.04962	100.0
181.08443	3.7
183.06569	9.2
185.13176	3.8
187.14815	14.8
189.12762	1.9
189.16396	6.8
191.07053	2.5
193.08606	7.0
195.06445	1.6
203.18018	5.0
209.08179	3.6
213.16385	44.3
215.18045	2.4
219.10179	3.0
221.11792	3.5
231.17448	25.0
233.11797	2.0
237.11284	2.3
247.01553	1.8
257.18979	2.5
259.20541	4.0
343.18826	2.1
367.22623	12.2
385.23715	74.6
386.24387	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	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05513	7.6
65.03940	1.7
67.05505	23.8
68.99780	2.1
69.07056	5.0
69.50346	8.3
69.50776	2.8
79.05056	2.6
79.05496	49.6
81.07061	37.3
83.08625	2.7
87.84663	1.3
91.05477	26.5
93.07047	70.3
95.04982	3.9
95.08612	24.2
98.21125	6.1
105.07040	15.7
107.08597	43.6
109.06506	1.5
109.10161	6.5
111.00780	2.3
111.04462	1.4
117.07010	2.9
119.08585	10.2
120.08806	1.4
121.10153	28.3
123.04409	2.4
123.11720	3.2
127.03930	10.9
129.06929	1.5
131.08583	4.6
133.10139	14.3
135.11705	42.5
137.05949	2.5
139.03911	36.0
143.08563	2.9
145.10182	6.8
147.11681	7.3
149.13254	26.7
151.04007	2.3
153.01836	100.0
153.05473	3.6
155.03395	3.6
159.11687	4.1
161.13254	5.3
163.03903	3.0
163.14854	7.1
165.05515	8.5
169.15263	1.5
171.11644	1.5
173.13275	2.4
175.14821	8.3
177.05455	1.8
177.12747	1.4
181.04962	9.5
185.13344	3.7
191.07010	2.7
193.08626	4.1
195.06508	3.1
199.14954	2.2
205.08597	2.2
207.10114	1.8
215.17955	12.0
217.08546	2.1
217.19580	7.1
223.65469	1.4
229.19540	1.5
231.17267	1.8
231.21259	1.6
241.19579	9.2
245.07837	1.3
259.20593	25.0
357.20898	1.5
367.22839	9.4
385.23752	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01862	4.9
55.05514	11.9
57.07074	3.7
65.03947	4.2
65.44279	1.8
67.05509	70.9
67.05874	3.5
68.05814	2.5
68.99791	4.5
69.03075	2.2
69.03431	27.2
69.07067	11.3
69.57284	6.3
69.57706	4.3
79.05056	3.1
79.05499	49.7
81.03413	2.1
81.07062	78.2
83.04984	3.8
83.08621	4.0
85.06553	2.3
91.05489	33.6
93.07052	57.8
95.04964	7.5
95.08614	53.8
95.09225	2.4
97.02914	4.1
97.06511	2.1
97.10181	3.2
98.20998	5.8
103.05507	2.5
105.07037	42.7
107.04960	4.7
107.07865	2.3
107.08597	36.3
109.06524	4.7
109.10161	24.2
111.04433	4.2
113.06026	1.9
117.07033	8.0
119.08587	26.9
121.06490	4.5
121.10155	31.2
122.10520	1.8
123.04433	4.7
123.11715	5.4
125.05998	3.2
127.03908	5.9
129.07028	4.0
131.08560	20.1
133.10132	28.8
135.04359	2.1
135.08064	4.5
135.11711	25.7
137.02368	4.8
137.05905	3.6
139.03906	6.9
141.05426	4.0
143.08589	7.6
145.06465	1.9
145.10123	19.2
147.08086	1.9
147.11696	26.0
149.05988	4.8
149.09639	3.6
149.13208	10.4
151.03926	4.5
151.07553	6.4
151.11166	2.6
153.00735	1.6
153.01837	9.6
153.05482	24.1
155.07076	10.6
157.10133	8.0
159.11702	5.7
161.06032	2.1
161.13281	6.1
163.04015	1.5
163.07576	4.7
163.11168	1.7
163.14993	1.7
165.01804	5.9
165.05490	40.0
165.12733	1.5
166.28488	1.5
167.03398	7.5
167.07062	53.7
171.11710	5.2
173.13297	3.8
175.07591	2.8
177.05499	6.0
177.09277	1.9
179.03413	100.0
179.06984	10.9
180.03746	2.0
181.04970	90.4
181.08441	3.8
183.02988	2.4
183.06543	7.0
185.13187	2.8
187.14821	15.8
189.05501	8.2
189.16377	15.9
190.06172	2.0
191.03477	2.3
191.07051	17.3
193.04977	5.8
193.08687	10.3
195.06544	2.5
197.04459	5.1
201.16481	1.8
203.07010	8.0
203.17957	7.6
205.04985	3.2
205.08603	3.7
207.06483	12.2
207.10106	1.8
209.08026	8.1
213.16451	18.8
215.17726	2.5
217.08612	3.9
219.10167	5.2
221.11713	2.6
223.09575	2.9
231.10147	5.3
231.17450	23.7
233.11685	3.6
237.11133	2.8
241.19543	1.8
245.11787	5.8
245.19072	2.5
259.20435	2.7
263.12881	1.8
266.35196	1.6
277.14532	2.7
280.60556	1.5
285.14865	1.9
287.16376	2.7
289.14548	1.9
291.15973	3.0
299.16437	2.6
303.15854	1.8
311.16214	1.9
317.17319	3.6
329.17538	2.7
367.22690	17.1
385.23715	93.9
386.24261	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2374
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03940	2.9
55.01866	2.7
55.05526	6.7
57.07074	4.1
59.77212	1.0
60.00788	1.3
65.03931	1.4
67.05508	21.4
68.99796	8.3
69.07066	8.8
70.14469	3.8
79.05499	30.4
81.03425	1.8
81.06579	1.5
81.07058	27.6
82.88345	1.2
83.05016	1.2
83.08620	3.7
85.06538	1.7
91.05484	22.9
93.07044	41.7
93.47791	1.3
95.04959	3.1
95.08615	19.5
97.06528	1.9
97.10181	1.4
98.21309	2.2
99.04446	1.2
105.04530	1.7
105.07034	24.4
107.04908	1.3
107.08598	31.0
107.09293	2.2
109.02856	1.3
109.06507	2.5
109.10164	9.9
111.00815	16.9
111.04436	1.3
111.08140	1.2
115.05470	1.2
117.07010	5.9
119.08595	21.5
121.10155	23.2
123.08064	1.4
123.11721	3.2
125.06066	1.0
127.03922	100.0
129.07048	3.3
131.08575	8.1
133.10132	20.2
135.11705	24.3
139.03925	2.8
143.08591	5.0
145.10141	10.0
147.11703	16.1
147.83992	1.2
149.13264	15.6
153.01862	3.7
153.05544	1.6
157.10143	3.9
159.11713	9.4
161.13257	11.0
163.14833	6.6
167.07091	4.2
169.04922	1.7
169.10207	1.4
171.11732	3.9
173.13272	5.7
175.07545	1.2
175.11215	1.9
175.14818	6.0
177.16441	1.7
179.07056	1.3
181.04971	18.5
185.13275	4.5
187.14839	2.1
189.16423	3.6
199.14859	3.7
201.16533	1.4
215.17839	1.3
217.19540	5.6
223.09669	1.7
231.17526	2.6
231.21156	1.8
237.11142	1.3
241.19524	11.2
245.11731	1.7
259.20596	12.4
263.80215	1.2
264.84387	1.3
289.14429	1.4
334.91702	1.1
367.22873	4.0
385.23798	60.1
385.29202	7.0
386.24088	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	385.2371
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03934	3.2
54.32884	1.4
55.01852	1.6
55.05502	7.0
67.01857	1.9
67.05502	20.9
68.99786	3.8
69.07064	6.9
69.15194	1.5
70.16452	1.7
79.05498	31.0
81.07056	26.1
83.08614	4.2
90.12878	1.5
91.05485	24.4
93.07044	37.9
95.04975	4.6
95.08603	18.7
97.06541	3.2
97.10154	2.2
98.20758	3.2
98.21442	6.2
105.07027	29.1
107.08600	25.9
109.10131	4.3
111.07967	1.6
111.43397	1.5
117.07007	6.9
119.04995	2.1
119.08602	8.6
121.10147	22.2
123.04430	11.9
123.11687	2.2
127.03932	11.6
127.43851	1.5
129.06996	3.5
130.05936	1.6
131.08562	9.9
133.10129	42.9
135.11705	26.9
137.05983	8.6
139.03896	59.7
145.10109	4.4
147.11696	10.2
149.13252	24.1
151.03865	2.4
153.01828	100.0
153.05498	3.8
155.03406	14.9
157.10155	2.6
159.11703	17.5
161.13271	6.2
163.03896	2.8
163.14795	7.1
165.05478	15.0
167.03320	1.5
167.07063	6.6
171.03012	1.7
171.11667	2.7
173.13287	14.6
175.14821	6.8
177.05449	1.7
181.04977	19.7
185.13257	4.4
187.14870	2.4
191.07014	3.7
193.08549	3.8
199.14821	4.8
205.08699	1.9
213.16345	3.8
215.17967	9.3
217.19641	3.7
241.19539	11.1
259.20615	20.5
265.14410	3.1
367.22705	8.3
380.85608	1.7
385.23727	82.4
386.24130	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	385.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05504	9.7
57.07062	2.7
62.32918	1.2
65.03934	1.3
67.05508	25.4
68.99798	10.8
69.07071	7.5
69.68680	5.7
71.01347	1.1
71.05007	1.4
73.72810	1.2
79.05498	28.5
81.03426	1.3
81.07060	30.4
83.05016	1.3
83.08618	3.5
84.79064	1.1
85.06523	1.7
85.47659	1.1
91.05477	22.7
93.07048	44.0
95.04963	3.6
95.08607	23.9
95.09164	2.1
97.06508	2.8
97.10188	1.7
99.04482	1.5
105.07030	25.9
107.04967	1.6
107.08598	27.9
109.06517	2.2
109.10156	9.8
111.00801	14.9
111.08070	1.9
117.07011	6.3
119.08585	24.1
121.10156	25.2
123.08089	1.7
123.11745	3.7
127.03920	100.0
129.07013	5.2
131.08554	9.3
133.10123	19.1
134.10368	1.2
135.08037	2.1
135.11694	27.5
136.64903	1.2
137.09615	1.4
137.13228	1.4
139.03900	3.1
143.08525	5.4
145.10110	9.5
147.11705	15.7
149.09531	1.3
149.13271	17.2
151.03848	1.4
151.07568	2.1
151.11145	1.1
153.01865	4.7
157.10129	3.3
159.11679	8.4
161.13257	9.4
163.14801	4.8
167.03430	2.0
167.07057	3.0
169.04965	1.6
171.11681	4.6
173.13275	4.9
175.14851	5.9
177.16399	2.7
181.04953	22.9
181.06487	1.5
183.02831	1.2
185.13254	6.1
187.14748	1.8
189.12816	1.3
189.16408	4.2
193.08580	2.1
195.06790	1.2
199.14841	3.6
215.18010	1.9
217.19524	6.3
223.09622	1.3
231.10216	1.3
231.21164	2.8
233.08052	2.2
237.11208	2.2
241.19568	8.9
251.12706	1.8
259.20633	10.0
273.14764	1.3
279.16040	1.7
303.15887	1.5
305.17651	1.1
322.27844	1.1
329.17276	1.6
354.36343	1.1
367.22702	4.7
385.23788	57.8
385.29361	4.7
385.34744	1.8
386.24173	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	385.2373
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
53.03939	1.1
55.05512	12.8
57.07085	1.1
61.24940	0.8
67.05511	8.8
67.24734	0.8
68.99797	1.0
69.06771	0.9
69.07069	10.3
69.77539	4.4
69.90595	0.8
79.05490	5.7
80.40051	0.8
81.07043	7.0
83.08610	3.5
91.05471	4.6
93.07053	8.2
95.08614	7.4
98.20872	1.8
105.07024	4.8
107.04961	1.3
107.08591	3.3
109.10160	2.2
111.00878	0.9
117.07053	0.9
119.04960	0.8
119.08591	3.5
121.10185	2.6
127.03891	0.9
131.08557	2.5
133.10143	3.7
135.11676	2.7
137.05956	1.3
139.03912	3.4
145.10086	1.8
147.11671	2.2
151.07491	1.4
153.01833	25.9
153.05470	1.1
155.07033	1.1
161.13306	1.0
163.03923	2.2
165.05489	1.6
167.07088	4.2
179.03441	5.4
181.04984	9.3
185.94235	0.7
187.14818	3.0
189.05452	1.1
189.16393	1.0
191.03680	0.8
191.07085	1.0
192.04199	9.7
193.05031	1.8
198.67184	0.9
203.17944	1.1
205.04968	39.0
206.05705	1.3
209.08115	0.9
213.16411	2.5
217.04965	1.8
217.08586	1.2
219.06538	2.7
219.10228	0.9
231.06538	6.9
231.09993	1.0
231.17430	1.9
233.08148	1.7
245.08162	2.4
247.09676	1.5
255.67366	0.9
261.11340	2.3
275.12866	2.0
289.14377	2.0
301.14331	0.9
303.15839	3.9
315.16147	1.0
317.17398	2.0
321.72833	0.9
329.17569	2.4
354.63739	0.9
367.22678	1.3
385.23743	100.0
386.24063	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	385.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.1
53.03946	12.2
55.01867	8.0
55.05512	9.5
65.03940	6.2
67.05511	38.3
68.29311	2.9
68.99795	3.0
69.03433	4.9
69.07066	7.1
69.24384	4.8
69.24781	29.2
71.05000	6.9
79.05497	51.6
81.03429	7.0
81.07058	43.2
83.05003	4.4
85.06566	2.8
91.05489	78.7
93.07053	61.3
95.04975	96.9
95.05551	6.1
95.08620	24.4
97.06530	7.4
98.20943	13.5
99.04462	4.0
99.08080	6.3
99.66462	3.2
103.05476	5.1
105.07038	61.7
107.04970	6.5
107.08596	25.7
109.06531	8.3
109.10172	6.6
111.04446	7.4
111.08100	2.9
115.05486	9.5
117.07036	34.8
119.08585	38.4
121.06522	36.5
121.10158	17.8
123.04433	13.3
123.08083	4.9
127.03882	7.4
128.06239	9.3
129.07021	24.3
131.08577	25.4
133.06502	52.4
133.10159	20.4
133.85658	2.8
133.86674	3.1
135.08051	21.9
135.11729	18.3
137.06018	8.1
137.09651	6.5
139.03899	23.4
141.05487	40.7
141.06964	8.1
142.07779	4.1
143.08569	34.1
145.06502	9.3
145.10146	33.3
147.08046	29.2
147.11690	21.4
149.09615	8.4
149.13257	5.4
151.03928	4.9
151.07515	5.3
153.01854	26.8
153.05475	53.5
153.06789	4.9
155.08620	2.9
157.10143	11.4
159.08037	6.4
159.11693	10.8
161.06065	3.1
161.09621	15.1
161.13300	6.3
163.03868	5.4
163.11198	9.6
165.05496	8.6
165.09146	4.4
167.03406	100.0
167.06982	9.3
167.08501	6.4
169.10130	11.8
170.02235	3.2
171.08035	5.8
171.11739	7.4
173.09541	3.3
173.13284	4.5
175.11253	3.1
175.14874	6.1
177.05495	10.3
179.03458	4.6
179.07097	14.4
181.04999	10.4
181.10074	4.8
183.11664	7.9
185.09567	4.5
185.13295	27.3
187.11171	26.5
189.12848	5.7
191.07043	10.5
193.05011	5.6
193.08665	3.9
195.06508	6.5
199.14868	5.8
203.07077	5.1
203.14340	18.1
207.06538	3.6
207.10175	4.7
209.08098	6.9
209.13321	9.6
217.08604	6.5
217.15799	4.4
219.06644	5.4
219.10338	5.8
221.04483	3.6
221.08040	4.4
223.06055	5.1
227.14297	24.9
229.08617	3.6
231.10167	5.4
245.15402	37.5
259.20581	7.4
343.19138	4.5
367.18976	11.3
385.19266	28.7
385.24356	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80544	1.7
52.20086	1.9
53.03936	3.3
55.05513	4.4
57.02759	2.2
66.86800	2.0
67.05515	13.9
69.44473	2.2
69.91629	4.8
69.92024	4.7
79.05502	12.3
81.07061	14.5
82.76951	2.0
91.05502	18.1
93.07062	14.0
95.04920	2.4
95.08613	7.8
98.20894	3.8
98.21432	2.5
105.07028	16.7
107.04937	2.8
107.08569	7.5
109.06536	2.8
109.10187	2.3
117.07010	4.6
119.08590	18.2
121.06503	2.6
121.10078	3.9
123.07938	2.5
128.06226	2.6
129.06973	4.1
130.34372	2.4
131.08572	8.7
133.10141	9.7
139.03883	4.2
141.05428	8.5
143.08533	4.6
145.10098	5.4
147.11694	3.6
153.04251	2.1
153.05432	5.9
155.07022	2.1
157.10120	3.3
159.11703	5.9
161.07378	2.4
161.13225	12.2
163.86348	2.1
167.03416	100.0
167.06998	5.8
181.04976	5.1
183.02875	2.9
185.13272	17.8
193.04938	4.2
201.16451	6.6
201.97589	2.0
203.14333	3.8
206.05725	5.5
217.08548	2.6
219.06543	60.2
233.07886	3.5
245.08159	15.9
245.15286	2.9
259.09702	2.8
263.09274	4.8
287.13092	2.2
349.17807	3.3
367.19080	43.9
385.19821	98.2
386.20090	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	385.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01868	9.1
55.05494	12.3
65.03919	5.1
67.05499	40.5
69.03427	4.1
69.07053	8.5
70.08816	7.6
70.09229	4.5
71.04988	8.1
79.05131	3.5
79.05499	42.0
81.03432	3.2
81.07071	34.1
83.01348	7.3
83.04978	8.0
83.08627	4.0
85.02917	3.7
91.05484	82.4
93.07048	52.6
95.04974	78.8
95.08625	19.6
97.06512	9.8
98.02972	2.5
98.21527	2.7
99.04473	4.2
99.08090	4.5
103.05466	6.2
105.04544	3.5
105.07034	67.0
107.04926	6.7
107.08592	22.8
108.09860	2.6
109.06519	11.5
109.10157	5.7
111.04445	8.3
115.05449	7.4
117.07027	29.4
119.08575	43.6
121.06510	39.2
121.10166	16.0
123.04418	7.1
123.08049	5.0
125.06015	4.8
128.06232	11.1
129.07019	24.4
131.08565	36.0
133.06493	35.8
133.10133	33.2
135.08072	22.0
135.11684	11.7
137.05971	9.0
137.09602	3.1
139.07550	3.5
141.05466	30.8
141.06995	9.4
142.07800	3.9
143.08574	28.2
145.06502	7.2
145.10127	35.4
146.10497	3.0
147.08046	23.7
147.11694	26.2
149.02312	5.1
149.09618	8.4
151.07530	11.9
153.05473	39.1
154.07748	3.2
155.07019	11.0
155.08478	6.0
157.10130	12.0
159.08028	5.6
159.11710	10.7
161.06042	3.9
161.09637	12.9
161.13239	7.7
163.11215	10.0
165.05547	3.4
167.03415	100.0
167.07050	22.5
167.08406	5.4
169.10100	7.8
171.11717	10.0
173.09660	4.2
175.07550	6.2
175.11232	6.3
175.14801	4.0
177.05444	7.0
177.09048	3.0
177.90132	2.6
179.07024	7.8
179.08524	2.7
181.04973	44.8
181.10101	7.1
182.05327	3.8
183.05319	4.4
183.11703	6.4
185.09526	3.4
185.13274	23.1
187.11241	17.7
187.14839	9.3
188.15257	3.1
189.16382	8.5
191.07045	13.7
193.04942	8.2
193.08611	10.3
195.06508	5.7
199.14813	7.8
203.14339	22.8
203.17966	6.9
207.06535	5.7
207.10094	2.9
209.08047	5.3
209.13272	5.8
213.16457	15.5
217.08595	6.1
217.15924	4.4
219.10336	5.2
221.04611	6.7
221.11717	9.3
223.05945	3.1
227.14302	20.3
231.10075	6.7
231.17451	16.7
245.11754	4.5
245.15375	29.3
247.13211	3.1
285.14676	3.9
309.14874	4.6
327.15891	3.2
367.18906	11.6
367.22748	8.5
385.09177	5.8
385.19739	26.4
385.24341	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	385.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.05500	11.0
56.96546	8.7
57.03428	16.3
59.05002	31.6
61.02925	8.4
66.37363	3.9
69.03435	40.5
70.06588	8.4
71.01351	5.0
71.04993	8.7
71.56744	4.1
71.57100	3.5
73.02922	9.3
73.06164	6.2
73.06557	86.4
75.04487	6.3
79.01858	5.0
81.03403	11.5
83.04977	25.3
85.02907	79.4
85.84083	3.6
87.04467	9.5
89.06039	5.9
91.05495	5.5
93.05520	17.3
95.01360	4.9
97.02885	31.5
98.97570	17.1
99.04477	8.3
101.06020	36.3
101.76508	3.8
105.05490	10.5
105.07018	20.7
107.04955	92.8
109.02863	17.0
113.02337	5.3
113.05979	3.4
115.05441	6.6
116.98617	12.7
119.07046	14.7
123.04475	6.6
123.06550	6.2
123.58062	2.9
125.02326	10.0
127.03921	33.3
128.98616	6.1
131.03375	4.1
131.04962	3.5
133.06477	24.8
136.07547	5.5
141.01863	8.6
143.00179	4.0
143.03380	4.6
145.05006	16.8
145.06070	3.3
146.99646	5.2
153.01830	100.0
153.02919	4.7
154.02199	6.3
155.07011	4.0
158.99687	6.3
161.05971	34.2
163.06042	4.3
167.07043	12.9
175.09639	7.7
177.00673	7.3
193.08623	18.8
205.08583	4.9
207.06563	5.4
209.08107	6.9
214.08476	3.5
219.01749	9.6
220.52711	3.6
231.06497	5.2
236.98894	4.1
237.02821	10.4
245.04903	19.9
251.09209	9.7
254.05479	29.0
265.56311	5.0
275.09082	6.2
289.03265	5.7
295.96136	3.8
385.06061	11.0
385.10974	10.0
385.16574	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	385.2003
Annotation	(+)-Bisabosqual A
Peak:m/z	Relative Intensity
51.80544	1.7
52.20086	1.9
53.03936	3.3
55.05513	4.4
57.02759	2.2
66.86800	2.0
67.05515	13.9
69.44473	2.2
69.91629	4.8
69.92024	4.7
79.05502	12.3
81.07061	14.5
82.76951	2.0
91.05502	18.1
93.07062	14.0
95.04920	2.4
95.08613	7.8
98.20894	3.8
98.21432	2.5
105.07028	16.7
107.04937	2.8
107.08569	7.5
109.06536	2.8
109.10187	2.3
117.07010	4.6
119.08590	18.2
121.06503	2.6
121.10078	3.9
123.07938	2.5
128.06226	2.6
129.06973	4.1
130.34372	2.4
131.08572	8.7
133.10141	9.7
139.03883	4.2
141.05428	8.5
143.08533	4.6
145.10098	5.4
147.11694	3.6
153.04251	2.1
153.05432	5.9
155.07022	2.1
157.10120	3.3
159.11703	5.9
161.07378	2.4
161.13225	12.2
163.86348	2.1
167.03416	100.0
167.06998	5.8
181.04976	5.1
183.02875	2.9
185.13272	17.8
193.04938	4.2
201.16451	6.6
201.97589	2.0
203.14333	3.8
206.05725	5.5
217.08548	2.6
219.06543	60.2
233.07886	3.5
245.08159	15.9
245.15286	2.9
259.09702	2.8
263.09274	4.8
287.13092	2.2
349.17807	3.3
367.19080	43.9
385.19821	98.2
386.20090	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	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.5
57.03467	2.8
67.05499	6.2
69.03416	8.5
69.07059	3.1
70.06582	6.1
71.04981	2.4
71.57398	2.8
79.05488	8.6
81.03399	7.0
81.07050	10.2
85.02889	7.6
85.06514	3.0
86.05708	2.3
91.05477	23.8
93.07055	6.8
95.04948	7.8
95.08608	6.2
97.02906	3.3
97.06486	2.9
98.83739	2.8
99.04464	3.6
103.05453	2.8
105.07034	12.3
107.04940	13.8
107.08571	6.1
109.02892	3.6
109.06499	6.8
109.10149	4.8
111.04446	2.4
115.05455	4.8
117.07002	6.5
119.04899	2.9
119.08562	5.8
121.06476	10.3
121.10152	3.5
122.03628	3.5
123.04434	10.7
123.08027	6.6
127.03902	4.7
129.06987	7.9
131.04916	6.4
131.08572	6.7
133.10135	3.3
135.08049	8.7
137.05984	41.7
139.03830	4.1
141.06886	2.8
142.07674	2.6
144.05742	3.4
145.06509	2.5
146.03712	3.2
146.07222	5.0
147.04391	6.3
147.08008	4.2
149.05991	5.7
149.09659	5.4
151.03873	2.8
151.07553	18.9
153.01787	4.2
153.05511	3.0
157.06485	7.5
159.08083	3.5
159.11662	2.9
161.05977	100.0
161.09642	20.0
163.03949	3.0
163.07547	11.9
165.06908	2.4
165.09120	5.9
167.07051	19.5
170.07256	5.5
173.05939	4.8
174.06770	5.5
175.07553	40.0
177.05484	4.6
177.09108	4.7
179.08640	3.8
181.06570	3.3
181.08548	3.8
185.05965	7.0
185.09651	3.6
187.07558	5.2
189.05516	3.5
189.09099	40.9
191.07013	6.7
195.10114	3.6
197.09578	3.1
198.06747	5.7
199.07495	2.9
201.09088	3.8
203.06918	4.3
205.08330	2.9
205.12184	5.2
207.08221	4.6
207.10136	27.0
213.09093	16.0
218.07315	3.1
219.08072	3.1
220.08923	2.7
221.06078	4.7
222.06807	3.2
223.13310	5.7
231.10141	7.7
234.06734	5.6
235.07578	5.1
236.08160	3.3
237.09106	6.2
243.10149	11.9
246.07167	2.4
246.10391	3.1
248.08116	4.0
249.09125	6.2
251.07028	2.8
251.10640	4.1
253.08853	2.8
261.11243	7.1
263.07175	3.9
264.07767	3.4
265.08566	3.2
267.06558	4.2
277.08469	4.4
277.12122	2.7
278.61508	2.8
279.10144	7.2
281.08167	2.6
282.08887	3.8
289.08643	2.8
289.12131	2.7
293.08148	4.8
293.11670	5.8
305.11624	2.6
307.09711	5.1
309.11105	4.4
310.08331	3.4
311.12738	27.5
317.11850	5.5
321.11285	3.6
323.09186	4.0
323.12555	5.3
337.14246	10.9
341.13858	4.6
343.11862	4.5
347.70569	3.2
349.14294	3.6
353.09875	4.1
353.13773	6.4
355.15338	7.7
367.15347	10.6
385.12851	11.5
385.16742	8.4
385.28687	3.0
386.16449	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	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62938	1.3
52.38599	1.8
52.65622	1.2
53.03954	2.3
55.01867	4.8
55.05513	2.3
57.03437	2.2
67.05487	1.5
69.03439	6.9
70.04353	6.6
71.05001	1.6
73.06568	20.2
75.60065	1.3
79.05499	7.0
81.03442	2.2
83.04980	2.8
83.25315	1.3
84.58842	1.5
85.02920	12.0
89.06056	2.2
91.05479	4.3
95.04980	6.3
95.82053	1.1
96.12276	1.3
97.02889	8.7
98.21217	3.2
101.06010	5.9
103.05481	8.9
105.07040	56.4
106.02909	1.5
107.04980	12.5
109.02865	3.7
115.03996	2.2
115.05461	13.9
117.07005	3.1
118.04168	4.3
119.07079	2.2
123.04459	7.2
127.03923	6.7
131.04918	5.1
133.06505	56.0
140.04666	2.6
143.05020	1.8
143.06067	4.4
145.04973	1.6
145.06519	5.1
147.04497	2.1
147.08109	1.8
151.03888	2.7
153.01888	1.9
155.07031	3.2
157.06537	2.9
160.05168	2.6
161.05995	100.0
162.06403	2.1
165.06912	1.4
167.07056	25.1
169.06380	1.3
173.06026	5.3
175.07503	2.8
177.05626	1.8
179.06970	2.6
183.06419	2.9
185.06097	1.5
187.03867	1.4
187.07590	1.7
188.04720	1.5
189.05501	2.3
190.06288	3.9
191.07051	2.8
192.07848	2.6
193.08617	55.7
201.05522	3.6
203.07018	2.5
205.08644	5.6
207.06523	8.1
209.08084	2.3
219.06573	4.7
220.07338	2.7
221.08069	3.3
229.04921	2.4
231.06625	6.7
231.08600	1.4
233.04480	6.9
233.08105	4.2
234.08842	1.7
235.06073	2.0
235.09573	1.6
247.06134	1.8
247.09685	1.8
249.07489	2.9
251.09158	20.2
261.07578	12.2
263.09161	3.2
273.07483	1.4
275.09140	5.2
277.07208	2.3
289.07111	2.6
293.10245	2.8
307.08145	2.8
311.48352	1.6
363.92749	1.4
367.10464	2.5
385.11453	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	385.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.89053	1.1
65.49646	1.0
67.05507	2.0
70.10241	1.1
70.10575	4.8
71.78745	1.0
79.05475	4.8
81.07049	4.6
91.05482	7.0
93.07030	2.4
95.04968	2.8
95.08593	1.6
99.04294	1.1
103.05467	10.6
105.07027	19.7
107.04955	14.0
109.06519	7.4
115.05469	6.4
116.06255	2.0
117.03359	1.5
117.06996	2.2
119.04932	2.7
122.03629	3.6
123.08057	1.5
128.06265	1.7
129.07001	1.5
131.04922	13.7
131.08572	2.0
133.06479	10.5
133.10161	1.4
135.08040	4.0
137.05971	47.2
141.06984	3.4
143.04933	1.4
143.05980	1.5
145.06491	1.6
146.03638	10.8
147.04384	2.3
149.05997	5.5
151.07559	10.5
155.08580	1.6
158.07300	2.1
160.05223	1.5
161.05981	100.0
162.06360	2.3
163.07532	31.4
165.05704	1.2
165.06981	5.6
166.07765	4.4
167.03360	1.9
169.06499	7.6
171.07945	1.3
173.09634	2.2
175.07533	12.1
177.05511	3.6
177.07007	3.8
177.09152	1.4
178.07785	3.5
179.08534	4.0
181.06491	1.5
183.08078	2.2
187.07549	2.3
189.07025	2.5
190.07808	10.6
191.08510	2.5
193.05005	1.7
193.06567	2.8
193.62518	1.3
194.07272	20.4
195.07936	1.8
201.09119	13.4
202.07735	1.9
203.08536	5.1
204.09308	3.8
205.06500	12.0
205.10118	20.5
206.07201	2.6
207.08136	6.4
208.08569	1.2
209.05969	1.3
209.09573	5.8
211.07538	2.7
213.16211	1.3
215.08531	6.2
218.07314	9.5
219.08142	5.6
221.06049	7.7
221.09648	4.5
222.06741	18.2
222.10339	3.2
223.07515	2.8
224.08234	2.0
231.08035	2.1
232.08766	4.8
233.05919	5.0
233.09599	34.1
234.06755	3.6
234.10376	4.8
235.07564	6.2
236.08211	2.8
237.05466	1.7
237.09105	21.9
237.12717	2.1
238.09641	1.2
239.06972	3.1
241.08586	1.4
247.07538	3.4
249.05418	2.5
249.09161	6.7
250.06340	8.0
250.09898	12.9
251.06972	3.5
251.10641	1.4
252.07867	1.7
253.08517	2.7
254.09390	3.5
260.08417	1.7
261.09082	24.3
261.11539	2.5
262.09793	4.5
263.07025	3.1
263.10812	1.9
264.07828	6.0
264.11493	1.2
265.08591	54.8
265.12195	23.1
266.09097	4.3
266.12253	1.2
267.06653	2.3
267.10086	3.7
269.08102	3.1
275.10645	2.3
277.08636	2.5
278.09409	16.4
279.10257	6.4
281.08090	4.6
282.08881	5.9
284.10403	3.9
293.11722	74.2
294.12247	4.7
295.09589	6.3
296.10553	2.3
297.11221	79.3
297.14478	3.3
298.11469	3.7
299.12732	2.0
310.11972	6.9
311.12698	5.8
325.14331	64.5
326.14639	2.1
327.12149	2.1
328.12851	1.4
328.70389	1.1
342.14563	1.7
343.15427	8.9
353.13812	17.7
354.14569	1.3
367.15207	1.8
385.09064	1.5
385.16373	25.4
385.23752	2.8
388.31436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05511	3.1
55.30236	1.5
57.03431	3.4
61.02916	3.3
69.03430	6.7
69.88407	8.7
70.06597	1.8
70.82597	1.4
71.01362	5.3
73.02912	6.5
73.06569	9.3
79.05497	4.1
83.04987	2.5
85.02911	18.3
87.40036	1.4
93.57403	1.5
95.01366	3.6
95.04943	2.9
97.02896	8.4
98.21302	4.9
99.04472	2.6
101.02341	1.8
101.06054	2.4
103.03928	2.1
103.05487	1.9
105.07029	2.8
107.04964	100.0
108.05338	1.8
109.02879	3.4
113.02403	4.8
115.05483	2.5
119.03427	1.9
119.07043	2.1
119.08591	2.1
123.04671	3.2
127.03908	3.7
131.03432	4.2
131.04955	7.0
131.08519	1.8
141.01817	5.9
141.07013	2.9
143.03384	2.0
144.05818	2.0
145.05055	1.8
145.06430	2.2
147.04416	2.4
153.01866	2.3
153.05449	2.0
159.04411	3.3
160.05193	1.9
160.67795	1.6
161.05977	3.7
167.07063	2.2
169.06487	4.4
175.07501	2.3
177.05434	2.8
181.04984	2.9
185.05911	1.9
187.03899	2.9
189.05481	4.7
191.07024	9.7
193.08446	2.1
194.97501	1.9
197.05954	4.0
204.04184	3.0
205.04979	2.0
205.08720	2.2
205.12227	3.5
209.08075	14.4
213.51767	1.7
214.06387	1.6
215.07150	3.6
217.04991	2.4
217.08543	1.8
219.06555	6.7
223.13290	6.2
229.05078	1.9
229.08627	3.8
231.06700	2.5
234.98947	1.8
239.05655	4.7
242.05791	2.2
243.06357	3.2
245.04541	4.1
245.08235	3.2
245.12904	2.2
247.09567	2.6
251.09178	2.6
257.08188	5.7
260.06689	10.1
263.05600	2.3
275.09134	28.3
277.07156	4.4
287.05557	3.1
319.08264	3.4
335.84665	1.8
337.09433	2.0
378.62283	1.8
379.01413	2.8
385.14682	7.1
386.14786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35125	0.6
55.79728	0.8
56.96564	6.4
66.36970	0.7
69.75746	1.2
69.76157	3.4
70.28465	0.7
71.95273	1.4
75.67551	0.7
95.62961	0.8
98.21009	2.4
98.97587	54.4
99.97908	1.7
101.01959	0.7
115.89776	0.8
116.98623	39.3
117.98997	1.2
119.01926	6.6
129.05315	0.8
131.00116	0.9
134.99657	16.4
137.02924	0.9
153.00720	2.4
177.00952	13.0
178.01103	1.7
187.11588	0.9
217.04013	3.6
219.02003	23.4
220.02185	1.2
225.01074	3.4
234.99879	2.4
236.99730	1.0
240.98830	1.0
241.99182	0.8
243.01981	8.4
258.99771	18.9
259.99963	4.8
260.99731	17.4
261.03088	100.0
262.00397	1.1
262.03116	6.8
275.04477	1.1
277.00830	22.8
278.00980	5.7
279.00607	22.4
283.00003	2.7
284.04636	2.0
284.99841	3.2
301.01123	5.0
302.01337	1.8
303.01041	3.6
343.02155	1.6
361.00854	1.3
367.02234	2.6
370.74582	1.0
385.03265	16.8
386.03320	1.6
403.00269	3.3
403.05106	12.2
404.04767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01889	5.9
57.03436	8.0
59.88517	3.2
67.05492	4.5
69.03440	7.7
69.65078	10.0
69.65480	9.4
70.06602	5.0
73.02934	11.6
73.06569	7.5
81.03424	6.3
83.04987	5.2
85.02924	21.4
95.05014	4.2
97.02891	10.1
98.20854	6.5
99.04437	4.0
101.02337	3.4
103.05474	8.6
105.07048	6.4
107.04965	78.9
113.02386	5.5
117.07089	4.6
119.03439	6.3
119.04955	4.8
123.04533	5.7
127.03935	5.5
131.04918	22.0
132.05673	3.6
133.06534	6.2
137.05952	4.4
139.03931	3.8
141.01839	3.9
141.06975	10.4
143.03419	3.9
144.05817	4.1
145.06491	7.6
146.03661	4.1
147.04468	4.8
148.77196	3.2
153.01889	4.6
157.06541	4.7
159.04399	6.7
159.08000	4.2
161.06009	17.8
163.03976	3.5
167.07057	6.7
169.06487	15.4
171.04391	7.2
173.05984	8.1
175.03860	5.7
176.04727	4.9
177.05542	3.6
180.07857	7.9
181.05052	5.6
185.06004	4.8
186.06738	7.2
187.03934	12.2
187.07617	6.7
189.05507	9.7
190.06287	3.6
191.07021	25.6
193.08687	6.3
194.97414	3.3
197.06003	12.4
199.03867	5.0
201.09116	3.3
203.07048	8.4
204.04175	9.2
205.08665	4.4
205.12354	5.2
209.08070	10.3
211.07542	3.9
214.06218	4.6
215.07115	12.1
217.04977	8.3
218.05777	4.1
219.06541	23.7
221.08154	4.2
223.09738	10.1
223.13326	5.4
229.08598	11.7
231.06535	8.6
233.08197	4.3
235.06017	4.6
242.05775	3.1
243.06578	10.6
245.04469	9.3
245.08086	5.6
247.09767	8.5
249.07663	5.2
257.08139	20.3
260.06836	24.3
263.05692	5.7
273.07541	4.9
275.09177	100.0
277.07065	18.4
287.05521	12.3
301.07132	6.1
319.08115	14.4
337.09195	8.7
373.24142	3.4
385.14694	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.05512	11.7
57.03425	3.0
58.06620	1.4
59.04996	4.4
61.02913	2.4
69.03435	13.9
69.69324	3.7
69.69735	2.3
70.06590	23.1
71.04984	2.2
73.02917	2.2
73.06557	100.0
74.06883	1.2
81.03425	10.2
83.04991	11.8
85.02907	31.8
87.04466	1.4
91.03979	1.5
91.07579	1.8
97.02895	47.8
98.21255	2.5
99.04431	2.8
100.24901	1.1
101.06020	13.3
108.04504	1.7
109.02881	10.3
116.74993	1.0
119.07070	14.8
123.04482	1.2
127.03918	26.4
145.04962	23.6
149.05968	1.9
163.06026	3.9
172.87990	1.1
177.05490	6.2
192.95819	1.0
199.09634	7.6
235.11749	1.8
245.10236	12.9
263.11234	3.0
327.08618	3.5
340.83704	1.1
384.14481	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	384.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99380	0.8
53.03944	3.1
55.05515	11.4
57.03439	2.8
58.06609	1.0
59.04997	3.1
61.02917	2.1
63.49135	0.7
69.03430	14.4
69.70062	3.9
70.06595	21.6
71.05003	2.3
73.02930	1.3
73.06558	100.0
74.06909	1.1
81.03410	7.0
83.04986	12.2
85.02909	29.8
85.03429	1.5
86.80752	0.8
87.04482	1.1
91.03934	1.3
91.07598	1.5
94.91273	0.8
95.04940	0.7
96.10802	0.8
96.66582	0.7
97.02898	44.0
98.21290	2.3
99.04472	4.4
101.06033	13.7
108.04530	1.8
109.02884	9.3
119.07059	17.0
119.07865	1.2
123.04427	0.7
126.05508	1.3
127.03923	28.3
145.04968	22.1
149.06029	1.1
163.06049	4.2
175.04010	0.9
177.05457	6.2
199.09665	9.4
232.09482	0.9
235.11833	2.8
245.10204	12.6
263.11282	3.7
294.56604	0.8
327.08447	3.9
384.14410	8.0
398.35129	0.8
406.98654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18795	3.1
53.03940	9.7
54.43609	2.9
55.01870	9.8
56.96574	6.5
57.03434	6.9
61.02917	8.5
69.03438	39.2
69.58594	24.2
70.06590	4.7
71.04985	10.2
73.02551	6.0
73.02924	83.3
74.77084	3.2
79.01859	4.5
81.03429	30.1
83.04975	3.5
85.02914	77.5
87.55014	3.7
91.03963	78.3
91.05476	15.8
95.04916	4.7
97.02904	85.8
98.21054	11.3
98.97584	11.9
99.04456	13.9
105.06991	3.9
107.04954	14.6
109.02877	40.0
113.03436	4.6
116.98606	12.3
119.04978	5.9
123.04412	8.4
125.02396	5.8
127.03928	80.8
130.06537	10.7
131.83899	3.3
131.98660	3.5
132.04454	9.0
133.04887	3.7
134.99655	5.6
136.07582	36.1
138.05493	24.0
143.03394	6.9
145.04979	67.7
147.04427	6.6
153.01843	100.0
153.02878	4.1
154.02139	9.0
157.07600	6.8
158.06039	17.2
161.05948	5.2
169.04947	3.9
175.08685	19.5
177.00673	7.5
188.14142	4.0
192.44392	3.8
203.08228	8.9
204.06592	6.3
217.07083	50.8
219.01747	4.6
221.09286	27.6
235.08153	22.9
237.02834	8.8
238.05260	7.8
244.04945	3.8
245.05008	6.4
247.04736	10.0
254.05356	6.4
261.04416	4.8
324.99973	3.9
366.13797	3.9
384.09958	7.1
384.15988	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05512	11.0
57.03434	2.1
57.07072	1.9
59.05003	5.1
65.03952	1.9
67.05506	100.0
69.03436	1.5
69.07081	3.4
69.38406	2.8
69.38818	2.0
71.04998	2.9
79.05495	4.2
81.07059	16.2
81.07514	1.1
83.08620	6.4
84.22019	0.6
85.06544	3.1
91.05482	9.0
93.07050	4.1
95.04987	2.1
95.08613	7.8
97.06586	0.7
98.20683	0.7
98.21230	2.4
105.07066	2.2
107.04980	0.6
107.08597	3.8
109.10159	79.6
111.08095	3.8
113.06013	0.6
117.07039	1.5
119.08588	7.9
121.10190	0.7
123.08167	0.8
125.09702	0.7
129.07068	1.1
131.08612	1.1
133.10162	1.4
133.79562	0.6
137.09615	4.2
145.10156	1.5
147.08208	0.9
147.11775	0.6
149.13275	0.7
155.08667	0.9
155.10661	5.1
157.10204	0.9
159.11787	0.8
167.03452	1.0
169.10176	0.8
173.10199	1.3
173.11740	24.9
175.07700	0.8
177.84016	0.7
201.12851	0.6
365.21188	1.1
383.15024	1.6
383.24515	32.8
384.24921	1.3
389.48795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46475	1.2
52.42618	1.2
52.44175	1.0
53.03931	4.2
55.01860	2.9
55.05516	10.8
57.03416	1.1
57.07058	3.4
59.04982	3.1
60.92595	1.0
65.03950	2.3
67.05180	1.3
67.05506	24.0
68.99762	1.7
69.03426	7.8
69.07069	6.1
69.52332	6.6
69.52742	2.6
71.04999	2.5
79.05497	27.1
79.95163	1.0
81.03403	2.3
81.07059	24.3
83.04964	3.5
83.08602	1.9
85.06532	2.5
91.05484	36.1
92.06261	1.2
92.56929	1.2
93.03310	1.1
93.07043	47.0
95.04984	8.2
95.08606	22.6
97.06529	3.9
98.21134	4.0
103.05482	1.5
105.04485	1.7
105.07034	48.1
107.04939	2.4
107.08595	22.8
109.06521	8.2
109.10162	12.9
111.04426	1.3
111.08084	2.6
115.05418	2.4
116.06218	1.6
117.07034	10.8
119.04903	1.5
119.07793	1.9
119.08585	28.2
121.06525	8.4
121.09443	1.4
121.10156	17.6
123.04395	1.6
123.08067	10.6
125.02305	1.6
127.03889	4.6
128.06175	3.9
129.06998	7.9
130.07768	2.2
131.08563	19.8
133.06454	4.4
133.10135	18.8
135.08066	10.5
135.11662	4.3
137.05956	3.6
137.09579	3.7
139.03920	10.8
141.05470	1.1
141.06961	3.7
142.07738	4.7
143.08569	11.3
144.09320	2.1
145.06435	3.2
145.09068	1.3
145.10136	23.2
147.08086	9.8
147.11694	9.1
148.08890	1.6
149.05923	1.8
149.09644	10.4
149.13223	1.9
151.03889	3.4
151.07542	11.8
153.01842	17.1
153.05412	6.1
155.03387	1.6
155.07008	4.5
155.08540	3.1
156.09334	1.6
157.10138	13.6
159.08047	4.5
159.11691	11.9
161.05971	2.3
161.09641	7.1
161.13264	5.6
163.03854	4.0
163.07561	1.4
163.11183	3.7
165.01857	5.5
165.05511	2.2
165.09132	14.9
167.03453	6.3
167.07019	7.7
169.10110	3.3
170.10844	1.4
171.11665	4.7
173.09528	3.5
173.11794	1.6
173.13197	6.3
175.11197	6.5
175.14799	4.3
177.05452	5.2
177.09050	4.7
179.03369	3.5
179.07033	2.9
181.04968	18.6
181.12271	1.3
182.46179	1.2
183.02829	3.6
183.11649	3.9
185.09604	1.9
185.13275	7.6
187.11215	2.6
187.14783	5.2
189.05444	3.1
189.09085	1.3
189.12694	4.2
191.06975	4.6
191.14198	1.4
193.04967	2.9
195.11606	1.8
197.09613	1.5
197.13190	2.6
199.14774	2.5
201.09180	1.4
201.12726	3.0
201.16313	3.0
203.03346	4.0
203.06985	3.5
203.14294	7.5
205.08540	2.3
206.05640	2.6
207.06392	1.7
207.10048	1.7
207.13806	3.2
209.13326	1.3
211.14810	4.6
213.12721	2.4
213.16277	1.9
215.07022	1.3
215.10727	1.5
215.14365	2.3
217.08542	3.2
218.05716	8.9
219.06526	8.5
219.10085	1.6
219.13727	2.8
220.07292	5.7
221.13374	1.7
221.15376	21.4
225.16238	1.8
229.08511	2.8
229.15866	5.9
231.06535	8.1
231.10097	2.7
231.13760	1.8
231.88724	1.4
233.08093	23.9
233.15419	2.3
234.08705	2.4
234.16122	4.8
237.02037	1.1
239.14168	1.3
239.18016	2.2
243.06384	4.7
243.10294	2.1
243.13850	1.8
245.08090	4.1
255.10362	1.5
257.08054	2.8
257.11661	2.7
257.18954	4.3
259.09631	1.2
271.13412	1.5
281.19122	1.3
285.15057	1.9
286.19141	1.6
287.19977	2.1
299.19907	2.2
303.15967	1.5
303.19510	3.1
315.15866	3.9
341.17493	11.5
349.28357	1.2
365.21008	6.5
365.24838	2.7
383.21997	100.0
383.25558	8.5
384.22412	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46475	1.2
52.42618	1.2
52.44175	1.0
53.03931	4.2
55.01860	2.9
55.05516	10.8
57.03416	1.1
57.07058	3.4
59.04982	3.1
60.92595	1.0
65.03950	2.3
67.05180	1.3
67.05506	24.0
68.99762	1.7
69.03426	7.8
69.07069	6.1
69.52332	6.6
69.52742	2.6
71.04999	2.5
79.05497	27.1
79.95163	1.0
81.03403	2.3
81.07059	24.3
83.04964	3.5
83.08602	1.9
85.06532	2.5
91.05484	36.1
92.06261	1.2
92.56929	1.2
93.03310	1.1
93.07043	47.0
95.04984	8.2
95.08606	22.6
97.06529	3.9
98.21134	4.0
103.05482	1.5
105.04485	1.7
105.07034	48.1
107.04939	2.4
107.08595	22.8
109.06521	8.2
109.10162	12.9
111.04426	1.3
111.08084	2.6
115.05418	2.4
116.06218	1.6
117.07034	10.8
119.04903	1.5
119.07793	1.9
119.08585	28.2
121.06525	8.4
121.09443	1.4
121.10156	17.6
123.04395	1.6
123.08067	10.6
125.02305	1.6
127.03889	4.6
128.06175	3.9
129.06998	7.9
130.07768	2.2
131.08563	19.8
133.06454	4.4
133.10135	18.8
135.08066	10.5
135.11662	4.3
137.05956	3.6
137.09579	3.7
139.03920	10.8
141.05470	1.1
141.06961	3.7
142.07738	4.7
143.08569	11.3
144.09320	2.1
145.06435	3.2
145.09068	1.3
145.10136	23.2
147.08086	9.8
147.11694	9.1
148.08890	1.6
149.05923	1.8
149.09644	10.4
149.13223	1.9
151.03889	3.4
151.07542	11.8
153.01842	17.1
153.05412	6.1
155.03387	1.6
155.07008	4.5
155.08540	3.1
156.09334	1.6
157.10138	13.6
159.08047	4.5
159.11691	11.9
161.05971	2.3
161.09641	7.1
161.13264	5.6
163.03854	4.0
163.07561	1.4
163.11183	3.7
165.01857	5.5
165.05511	2.2
165.09132	14.9
167.03453	6.3
167.07019	7.7
169.10110	3.3
170.10844	1.4
171.11665	4.7
173.09528	3.5
173.11794	1.6
173.13197	6.3
175.11197	6.5
175.14799	4.3
177.05452	5.2
177.09050	4.7
179.03369	3.5
179.07033	2.9
181.04968	18.6
181.12271	1.3
182.46179	1.2
183.02829	3.6
183.11649	3.9
185.09604	1.9
185.13275	7.6
187.11215	2.6
187.14783	5.2
189.05444	3.1
189.09085	1.3
189.12694	4.2
191.06975	4.6
191.14198	1.4
193.04967	2.9
195.11606	1.8
197.09613	1.5
197.13190	2.6
199.14774	2.5
201.09180	1.4
201.12726	3.0
201.16313	3.0
203.03346	4.0
203.06985	3.5
203.14294	7.5
205.08540	2.3
206.05640	2.6
207.06392	1.7
207.10048	1.7
207.13806	3.2
209.13326	1.3
211.14810	4.6
213.12721	2.4
213.16277	1.9
215.07022	1.3
215.10727	1.5
215.14365	2.3
217.08542	3.2
218.05716	8.9
219.06526	8.5
219.10085	1.6
219.13727	2.8
220.07292	5.7
221.13374	1.7
221.15376	21.4
225.16238	1.8
229.08511	2.8
229.15866	5.9
231.06535	8.1
231.10097	2.7
231.13760	1.8
231.88724	1.4
233.08093	23.9
233.15419	2.3
234.08705	2.4
234.16122	4.8
237.02037	1.1
239.14168	1.3
239.18016	2.2
243.06384	4.7
243.10294	2.1
243.13850	1.8
245.08090	4.1
255.10362	1.5
257.08054	2.8
257.11661	2.7
257.18954	4.3
259.09631	1.2
271.13412	1.5
281.19122	1.3
285.15057	1.9
286.19141	1.6
287.19977	2.1
299.19907	2.2
303.15967	1.5
303.19510	3.1
315.15866	3.9
341.17493	11.5
349.28357	1.2
365.21008	6.5
365.24838	2.7
383.21997	100.0
383.25558	8.5
384.22412	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	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03954	2.7
55.01863	5.2
55.05516	20.1
55.05735	3.8
57.03418	2.8
57.07074	7.8
65.03946	2.7
67.05167	4.7
67.05507	74.3
67.40763	2.5
69.03458	2.8
69.07067	13.8
69.67662	15.3
71.04995	12.2
71.08623	8.7
79.05492	21.5
81.03424	2.7
81.07064	52.4
83.04960	2.5
83.08618	12.0
89.82711	2.7
91.05482	40.3
93.07029	18.9
95.04964	6.6
95.08611	48.3
97.06532	3.1
97.10168	11.2
98.20834	5.1
98.21445	4.9
105.07047	28.5
107.07939	2.9
107.08562	12.6
109.06558	5.2
109.10160	45.6
115.05446	3.0
117.06997	15.2
119.08589	23.0
121.06470	2.8
121.10126	10.7
123.04420	5.1
123.08094	3.9
123.11716	15.7
124.26617	2.4
125.05948	2.8
127.03985	6.4
129.06990	5.1
131.08578	24.0
133.10150	18.7
135.11713	5.5
137.05995	6.6
137.09659	3.6
137.13203	3.9
139.03944	10.4
141.05481	100.0
143.08537	8.3
145.10133	30.3
147.11691	10.9
151.03929	4.5
153.01849	19.7
153.05458	27.0
155.07027	9.0
155.08492	2.6
159.11716	8.8
161.13318	4.0
163.04001	3.6
163.14822	2.8
165.01895	4.9
165.05531	3.3
167.03413	53.0
167.07133	13.6
167.08353	3.3
169.10101	2.6
173.11734	7.7
173.13266	2.8
175.72957	3.1
177.01901	6.1
177.05440	5.4
179.07007	5.0
181.04974	40.2
185.13228	6.3
187.14854	22.1
189.16422	17.6
191.07034	5.6
193.08530	3.4
197.19025	14.6
201.16359	4.8
203.07036	3.2
207.17473	12.2
211.14867	7.0
219.10234	5.0
223.09610	6.7
229.08583	3.9
229.15900	14.3
231.10143	7.0
233.18967	3.7
245.08122	7.3
257.19104	6.5
291.23352	4.1
299.16467	2.7
315.15833	8.7
329.21356	2.8
347.22018	4.5
365.20853	6.9
383.21991	54.8
384.22787	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	383.2215
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-farnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
51.87809	2.0
53.03942	3.5
55.01844	2.6
55.05495	9.0
65.03923	5.7
67.05503	26.1
68.99783	2.5
69.03421	4.0
69.07061	5.6
69.62631	4.3
69.63042	10.0
77.42767	1.9
79.05494	26.3
81.07056	22.6
83.04981	3.3
83.08587	3.8
85.06560	2.0
90.37663	1.8
91.05478	55.0
93.07045	25.8
95.04942	5.4
95.08617	15.8
96.25060	1.7
97.06523	3.7
98.20858	4.4
98.21414	2.5
103.05436	2.1
105.07034	79.4
107.08041	1.7
107.08609	16.9
109.06543	3.1
109.10143	8.6
111.00751	2.5
111.04465	2.2
115.05491	2.7
117.07013	27.8
119.04886	1.8
119.07796	2.6
119.08582	38.1
121.06482	3.5
121.10139	7.5
123.04391	2.6
123.08096	2.6
125.06043	1.9
127.03909	5.4
128.06206	3.9
129.07002	13.5
130.07816	2.6
131.08562	51.8
133.10146	30.8
135.08099	2.4
135.11659	6.4
135.58276	2.1
137.05934	4.9
139.03903	21.5
139.07520	4.6
141.06995	5.4
141.61102	2.2
143.08557	12.3
145.10127	64.6
147.08017	4.5
147.11670	20.9
149.09578	1.9
151.03894	2.2
151.07549	4.2
153.01834	59.4
153.05428	6.5
155.03412	3.6
155.07019	10.1
155.08537	7.4
157.10176	9.7
159.08028	2.6
159.11679	19.8
161.05965	2.1
161.09644	2.1
161.13243	8.0
165.01903	2.9
165.05446	5.4
165.09253	2.2
167.03419	5.2
167.07063	27.0
169.10144	10.2
171.11656	5.3
173.11902	2.0
173.13240	8.6
175.07574	2.4
175.11092	2.1
177.05406	2.9
179.03423	2.3
179.07002	2.9
181.04955	100.0
181.08444	4.4
183.06497	3.7
183.11679	5.8
185.13211	13.2
187.11165	2.8
187.13144	3.2
187.14813	43.7
191.07022	5.5
193.08632	6.0
201.16373	12.3
203.06969	2.6
205.08693	2.7
209.08037	7.2
211.14795	19.3
213.16365	4.6
215.17915	5.7
217.08566	3.9
219.10063	3.9
221.08104	2.3
223.09596	6.1
229.08614	2.5
229.15872	32.8
231.10042	2.3
239.17929	6.2
243.06471	3.0
257.18979	15.2
267.77069	2.0
285.14658	2.7
356.20020	2.1
365.21017	21.1
383.22107	74.9
384.22565	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	383.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01895	1.6
55.05503	5.0
56.32559	1.2
59.92778	1.1
62.41339	1.0
65.03945	1.1
67.01861	2.0
67.05505	13.7
68.99787	3.0
69.03427	2.1
69.07060	2.4
69.11717	1.0
69.73166	3.3
69.73602	4.1
71.05037	1.0
79.05502	13.1
81.07058	14.6
91.05482	37.7
93.07042	11.2
95.04933	2.0
95.08600	6.9
95.73690	1.0
97.02866	1.7
98.20980	3.2
103.05488	2.2
105.07031	59.7
107.08600	7.2
108.21390	1.1
109.10154	4.1
115.05505	1.6
117.07023	12.5
119.04897	1.2
119.08575	28.4
121.10150	4.0
123.04444	3.4
125.06013	1.3
127.03923	9.6
128.06248	1.5
129.07007	3.9
131.08568	25.6
133.10136	24.8
135.11705	3.6
137.05969	2.6
139.02783	1.9
139.03902	40.6
141.07080	1.3
143.08594	4.7
144.09377	1.3
145.10127	22.0
147.11690	15.6
153.01831	100.0
153.05374	2.5
154.02161	1.6
155.03432	5.6
155.08543	2.0
157.10147	6.5
159.11705	14.6
161.13257	6.5
163.03935	1.6
165.05438	6.9
167.07173	1.6
169.10193	1.6
171.02914	2.0
171.11676	6.9
173.13220	6.3
175.14813	2.1
177.05511	1.9
179.07024	1.7
181.04961	8.4
183.11745	3.1
185.13307	2.0
191.07071	1.2
195.06538	2.4
197.13223	3.0
199.14827	1.2
203.07024	2.3
211.14679	1.5
213.16394	7.4
215.17947	9.4
216.11577	1.1
217.08566	1.7
221.08084	1.3
229.15996	1.5
229.19527	2.8
237.11310	1.4
239.17979	8.6
257.18982	24.4
365.21106	5.5
383.18243	3.6
383.22226	45.9
384.22552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2217
Annotation	Ammoresinol
Peak:m/z	Relative Intensity
51.02406	1.2
53.03938	2.2
55.05510	12.9
65.03938	2.7
67.01860	1.7
67.05508	45.2
67.05871	2.3
68.99789	1.6
69.07088	5.0
69.79357	6.1
78.03143	1.0
79.05496	14.7
81.07060	34.9
83.08620	1.7
89.48559	1.0
91.05493	8.4
93.07057	10.0
95.04945	2.0
95.08611	26.2
98.21427	1.6
105.07044	4.2
107.08590	5.4
109.10157	9.9
111.00776	1.1
119.08558	3.9
121.10159	2.5
123.11695	3.1
131.08580	1.6
133.10115	2.9
135.11678	2.8
139.03925	5.2
145.10120	1.9
147.11668	1.9
151.93553	1.0
153.01837	43.2
159.11732	1.3
162.12689	1.0
163.03926	4.5
165.05466	2.4
173.06129	1.2
177.05426	2.6
179.03438	9.7
181.04970	4.2
191.03381	1.2
191.07042	1.6
192.04182	14.3
193.04904	2.5
203.07014	2.7
205.04970	64.5
206.05637	2.6
207.06715	1.2
211.14963	1.3
213.16393	1.4
215.17986	1.8
217.04866	2.9
217.08662	2.6
219.06575	6.0
231.06502	14.9
233.08093	13.0
243.06364	1.2
245.08099	4.6
247.09648	3.9
259.09756	2.8
261.11148	5.6
275.12839	3.8
287.12888	1.6
289.14359	4.4
301.14392	3.3
303.15948	3.4
313.14230	5.5
315.16028	4.3
317.17474	1.5
327.15891	8.9
341.17484	7.6
365.21292	4.4
383.22183	100.0
384.22504	4.6
396.13040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2215
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-farnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
50.88061	1.6
53.03959	9.1
55.01871	3.9
55.05502	8.2
58.65720	1.5
65.03934	3.8
67.05172	2.7
67.05508	42.0
68.99782	4.0
69.03433	14.1
69.07061	6.0
69.88847	7.2
69.89257	2.6
77.03970	2.5
79.05497	61.3
79.05956	3.0
81.03413	4.0
81.07063	34.3
83.04976	6.1
83.08650	3.0
89.32529	1.7
91.05486	71.2
93.03382	1.7
93.07048	66.9
95.04971	11.0
95.08608	24.0
97.02904	3.1
97.06509	2.4
97.10213	1.8
98.21333	3.1
103.05479	3.3
105.04505	2.8
105.06375	3.5
105.07032	41.9
107.03731	1.5
107.04953	3.3
107.08595	25.3
109.06508	5.0
109.10149	7.5
111.00753	1.8
111.04454	2.3
115.05457	3.0
117.07014	20.2
119.08578	31.7
121.06514	5.9
121.10152	20.2
123.04370	2.3
127.03926	6.3
128.06227	3.9
129.07004	12.8
131.08582	43.0
133.06503	3.6
133.10143	26.1
135.04369	2.0
135.08044	3.8
135.11726	9.2
137.02321	2.7
137.05943	3.0
139.03896	15.3
141.05336	2.3
141.07002	4.7
143.08621	9.2
145.06441	2.8
145.10135	27.6
147.08018	3.7
147.11681	6.0
149.05988	5.9
149.09653	3.0
149.13234	2.1
151.03906	7.5
151.07591	3.7
153.01819	12.8
153.05469	18.8
155.07036	7.3
155.08553	4.7
157.10127	6.1
159.08167	1.9
159.11699	8.0
161.05994	3.7
161.13249	3.4
163.03926	3.6
163.07559	3.3
163.11157	2.0
165.01859	10.1
165.05478	20.3
167.03407	12.7
167.07053	26.7
167.08452	3.0
169.10117	6.9
171.11723	4.7
173.13260	7.6
175.07614	3.3
175.14888	2.5
177.05444	11.3
179.03415	31.7
179.06981	14.4
181.04962	59.7
181.08522	3.7
183.02910	5.0
183.11647	3.4
185.13300	7.2
187.14839	15.5
189.05421	8.1
189.16371	2.9
191.03445	4.9
191.06999	9.6
193.04979	12.6
193.08569	5.1
199.14862	2.1
201.05527	2.6
201.16360	10.5
203.07083	5.3
205.04979	5.9
205.08655	3.2
207.06503	5.0
209.08096	5.6
211.14853	17.1
213.08989	2.0
213.16382	2.1
215.07133	4.3
217.08624	8.0
219.10193	3.9
223.09764	1.8
227.07164	1.9
229.08636	6.2
229.15868	19.8
231.06374	2.6
231.10173	6.1
233.11777	2.3
241.08687	2.6
243.06523	5.8
243.10236	3.8
245.08134	2.3
245.11772	5.9
255.10352	2.5
257.11847	2.2
257.19031	3.8
263.12839	2.4
271.13263	2.0
275.12881	2.0
277.14401	5.9
285.14850	3.5
289.14294	2.9
291.15756	2.5
299.16299	2.1
303.15744	11.2
317.17267	2.0
354.61523	1.7
365.21033	23.5
376.28125	2.0
383.22153	100.0
384.22470	2.7
387.35986	1.9
389.66663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.222
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-farnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
53.03939	5.5
55.01874	4.0
55.05519	9.4
56.69666	1.9
65.03926	4.9
67.05509	27.4
68.99783	5.7
69.03442	4.5
69.07073	11.3
79.05499	42.8
81.03444	3.2
81.07066	58.0
83.04989	3.2
83.08609	4.9
83.67399	2.1
91.05495	40.4
93.07050	37.9
95.04964	6.9
95.08623	26.9
97.06513	2.0
98.20687	3.0
103.05499	3.2
103.40765	2.2
105.04546	3.2
105.07038	48.5
107.08604	25.5
109.02840	2.3
109.06519	2.7
109.10172	9.8
110.43845	2.3
111.04367	1.9
115.05457	5.8
117.07043	12.6
119.08588	31.6
121.06490	4.2
121.10159	19.3
123.04426	4.5
123.08109	2.6
123.11700	4.6
127.03912	6.9
129.06985	6.4
131.08600	21.5
133.06485	3.2
133.10136	20.2
135.08084	4.0
135.11714	8.2
137.05989	3.0
139.03922	24.7
141.05484	4.1
141.06953	3.3
143.08563	7.7
144.82921	2.3
145.10123	19.7
147.04399	2.2
147.11684	11.8
149.05943	2.7
149.13240	2.3
151.03928	14.6
153.01840	26.1
153.05479	19.4
155.08546	4.4
157.10078	4.3
159.08046	3.5
159.11726	11.8
161.09601	2.1
161.13298	4.9
163.03941	9.3
163.07585	3.1
165.01826	16.3
165.05554	10.1
167.03419	33.2
167.07042	6.4
169.10107	3.8
171.11707	3.4
173.05865	2.3
173.13286	6.6
175.07578	2.4
175.11263	2.2
177.05467	11.9
177.12791	2.4
179.03397	7.6
179.07043	6.0
181.05003	10.9
183.02911	13.3
185.09676	2.3
185.13293	3.9
187.07509	2.0
187.14818	3.1
189.05510	5.3
189.16479	2.3
191.03438	5.8
191.07048	5.8
191.10785	2.2
193.04932	10.6
193.08525	2.1
199.14865	3.2
201.16400	5.4
203.07053	4.1
205.05026	5.1
205.08701	6.9
211.14709	2.9
213.16374	3.6
215.07137	4.0
215.17998	3.5
217.04979	4.1
217.08588	7.9
229.08638	7.5
229.15903	3.4
231.06548	5.8
231.10155	3.3
231.17328	2.4
233.11755	2.8
243.06523	15.6
243.10185	7.1
243.17395	4.7
245.08150	4.2
245.11824	2.1
247.09526	2.0
257.08060	4.0
257.11746	2.7
257.18988	4.8
263.12875	2.4
271.13174	2.3
283.13266	2.4
285.14954	6.9
289.14328	4.7
303.15927	25.7
315.15820	9.7
321.70972	2.1
327.16010	2.5
341.17551	2.3
365.21194	14.3
383.22168	100.0
384.22467	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	383.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01861	2.9
55.05512	4.0
60.08230	1.3
63.71019	0.9
67.05506	22.3
67.05862	1.4
69.07067	4.9
70.70818	1.9
70.71156	2.0
79.05495	15.4
81.07062	15.0
83.01353	3.4
83.04988	1.5
85.06535	1.5
85.68439	1.0
91.05485	31.9
93.07039	11.8
95.04963	3.5
95.08610	6.3
97.02890	2.6
97.06533	3.4
98.21082	1.1
101.21176	1.1
103.05477	1.5
105.07037	41.9
107.04958	2.4
107.08609	6.7
109.06530	3.1
109.10155	10.9
115.05459	3.3
117.07020	21.3
119.08582	18.7
121.06503	1.2
121.10153	3.5
125.05927	1.4
128.06207	3.8
129.06985	10.3
130.07785	3.3
131.08578	44.5
133.10144	14.7
133.49028	1.0
135.08046	1.7
135.11661	1.5
137.05974	6.1
139.03812	1.4
139.07564	3.8
141.06985	3.0
143.08559	12.0
145.10126	60.1
145.90196	1.1
146.10431	1.3
147.08066	3.8
147.11694	11.2
149.09615	1.4
151.07513	1.8
153.05461	2.5
154.07858	1.5
155.07039	20.9
155.08551	7.3
156.09367	1.5
157.10124	5.6
159.08113	1.4
159.11707	9.8
161.09665	2.3
161.13252	2.0
163.07487	1.2
163.11186	2.5
165.09123	2.2
167.07048	32.7
169.10085	8.3
171.11658	2.4
173.11780	3.0
173.13277	2.9
175.07567	2.6
178.36491	1.1
179.78844	1.4
181.04967	100.0
181.08556	3.3
182.05090	1.1
183.06555	4.5
183.11720	4.5
185.13260	12.7
187.11224	2.5
187.14830	44.4
191.07027	5.3
193.08627	7.6
199.14841	1.6
201.16409	14.4
205.08727	1.3
209.08153	4.7
211.14824	21.3
219.10120	2.2
221.11784	3.1
223.09689	4.5
229.15878	43.9
231.10219	3.1
249.11229	1.3
365.21170	7.9
383.22064	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01876	4.7
55.05513	55.8
57.03433	9.1
59.04992	3.5
61.02915	14.2
67.05505	28.7
69.03434	64.3
69.07069	18.7
69.31198	30.6
71.04990	7.8
73.02913	9.0
77.27916	3.1
79.05492	21.2
81.03435	28.2
81.07059	48.5
83.04980	23.8
85.02429	4.5
85.02908	66.4
85.06574	6.0
87.04460	11.3
91.03944	3.6
91.05477	28.6
91.85962	3.3
93.07050	25.9
95.04983	16.6
95.08610	24.8
97.02882	23.2
97.06535	8.1
98.20820	10.7
98.21495	8.1
99.04455	10.9
102.11368	3.2
105.07040	39.3
107.04996	5.5
107.08592	32.0
108.01085	3.3
109.02932	7.5
109.06529	27.0
109.10155	14.8
111.08052	9.0
117.06982	9.2
119.04955	3.7
119.08591	83.3
121.10139	35.4
123.08067	13.2
125.05978	4.2
127.03931	15.2
128.06204	5.6
129.06985	4.2
131.08524	8.2
133.06496	4.5
133.10138	74.7
135.08093	5.4
135.11716	5.5
137.05946	5.7
137.09654	6.3
143.08455	4.1
145.04951	8.1
145.10138	17.4
147.08052	61.4
147.11719	18.1
149.09662	6.7
149.13359	3.7
151.07610	4.6
151.11191	12.2
153.01820	7.6
155.08421	4.1
157.10115	7.6
159.11678	13.3
161.09656	21.3
161.13269	100.0
163.11263	6.7
165.09134	23.7
167.07037	4.2
169.06406	4.0
170.10826	5.9
173.09592	5.6
173.13338	3.8
175.07510	3.8
175.11224	9.5
175.14825	41.6
177.12680	3.4
185.13248	18.1
188.12007	7.2
191.14369	3.9
193.15913	3.5
201.09108	4.1
202.07809	3.7
203.10860	4.1
203.14339	97.4
219.08157	8.0
221.08054	25.3
221.15376	94.9
229.08566	8.7
231.08180	6.0
247.07571	14.5
248.08289	12.3
249.09029	3.8
261.09085	5.1
262.09814	5.7
263.06906	4.0
263.10559	10.0
265.08762	4.2
275.07010	9.7
276.07748	10.1
277.08594	9.6
278.09357	4.7
291.10181	17.0
292.07233	5.6
293.08029	10.7
305.08148	4.3
307.09625	11.2
308.10303	8.7
319.09653	5.4
322.11938	3.9
323.12747	13.2
333.02972	3.3
336.09970	5.8
337.10605	12.0
338.08215	4.2
339.12241	4.1
345.95203	3.2
351.12250	13.4
352.12933	6.1
353.10022	9.8
368.12445	15.7
370.38593	3.1
383.14975	96.5
383.20123	4.5
384.15387	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	383.2218
Annotation	Ammoresinol
Peak:m/z	Relative Intensity
52.23663	0.9
53.03938	2.2
55.05518	13.1
55.85020	0.9
65.03922	2.8
67.01855	1.1
67.05508	41.6
68.99786	1.6
69.07069	6.8
69.92338	4.8
79.05499	12.7
81.07064	33.4
83.08628	1.3
91.05470	6.8
93.07033	8.7
95.08614	27.6
105.03418	1.4
105.07065	4.7
107.08595	3.8
109.10170	8.2
119.08595	3.1
120.20081	0.9
121.06516	0.8
121.10174	2.2
123.04421	1.5
123.11720	4.7
127.03886	1.7
131.08592	1.3
133.10129	3.2
135.11711	2.1
139.03897	7.2
147.11671	1.6
149.13237	2.0
151.07478	1.0
153.01834	41.1
163.03940	3.9
165.05531	1.1
177.05493	1.6
179.03409	9.4
179.07034	1.2
191.03334	1.2
191.07045	1.5
192.04189	12.7
193.05008	2.2
201.80919	1.0
203.07002	1.3
205.04974	59.8
206.05661	2.0
213.05440	1.0
217.04932	2.2
217.08624	1.4
219.06555	3.9
229.05130	1.2
231.06520	14.8
233.08145	5.8
245.08163	3.5
247.09634	3.1
261.11340	3.2
275.12729	3.9
287.12793	2.0
289.14359	3.9
301.14304	3.0
303.15982	3.4
313.14307	4.7
315.15952	4.7
317.17432	2.4
327.15900	9.7
329.17474	2.3
341.17548	7.1
365.20935	1.9
383.22180	100.0
384.22491	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	383.2215
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-farnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
53.03942	2.8
55.01868	1.9
55.05511	10.4
65.03931	2.2
67.01856	2.5
67.05506	23.9
68.99783	3.9
69.03420	4.5
69.07056	4.3
79.05498	24.2
81.07056	22.8
83.04994	2.1
83.08601	2.9
91.05482	59.4
93.07055	23.9
94.59575	1.6
95.04986	4.3
95.08601	14.8
97.02888	2.7
98.20850	6.0
98.21544	2.2
103.05476	1.9
105.07032	61.6
105.71200	1.5
107.08593	13.7
109.06499	1.8
109.10152	13.3
111.00793	3.3
111.04475	2.2
111.08041	1.7
116.06284	1.6
117.07023	16.2
119.08595	28.4
121.06558	1.9
121.10121	7.2
123.04415	3.6
123.11706	1.8
127.03906	14.6
129.07004	4.4
131.04968	2.1
131.08565	29.2
133.06453	2.1
133.10121	27.0
135.11690	5.4
137.06021	3.8
139.03908	36.9
141.07027	2.7
143.08560	6.4
145.10126	25.9
147.11699	18.7
149.06024	2.9
151.03903	3.7
153.01830	100.0
153.05479	6.8
155.03368	4.7
155.08580	2.6
157.10120	6.3
159.11710	16.3
161.05960	2.3
161.13232	4.9
163.03889	3.8
165.01863	2.9
165.05508	10.3
167.03366	4.8
167.07045	5.0
169.10104	3.9
171.02859	2.2
171.11694	4.2
173.11859	2.5
173.13304	6.6
175.14822	2.3
177.05473	4.9
179.03400	5.5
179.07005	2.3
181.04945	14.8
185.13089	2.1
187.14848	4.8
189.05548	2.0
191.03374	3.2
191.07004	4.3
193.04926	2.7
193.08638	2.5
201.16437	2.1
203.07021	3.2
205.05037	2.1
205.08618	2.1
209.08067	2.6
211.14799	3.1
213.16350	4.5
215.07097	3.0
215.17900	6.0
217.08612	3.0
225.16283	1.9
229.04964	2.8
229.15927	3.0
229.19446	3.0
229.24255	1.8
231.06496	2.4
239.17821	8.5
243.06622	2.3
243.10460	1.5
251.64859	1.6
257.19028	25.0
285.14975	2.5
303.16013	1.7
365.21021	8.4
383.22147	93.3
384.22540	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
60.34212	1.7
69.03430	9.8
70.30161	3.7
70.30561	5.3
74.02448	2.5
79.63732	1.9
81.03412	7.4
85.02908	33.2
88.32634	2.2
94.06602	2.3
97.02887	8.0
98.21037	3.4
99.04479	2.2
99.47823	1.8
109.02898	3.8
117.07018	1.9
118.06511	5.2
118.53058	2.0
127.03887	5.3
130.06516	69.7
132.04433	14.0
132.08073	6.7
134.09656	2.0
142.06573	2.3
144.08076	28.7
145.05043	1.7
145.07605	23.5
146.06021	10.4
148.07573	2.7
154.06560	7.0
156.06813	2.4
156.08066	3.9
157.07613	68.2
158.06012	51.7
158.08176	2.5
159.09163	6.1
160.07573	3.5
169.07600	5.1
170.06009	4.4
171.09189	9.9
172.07550	10.7
174.05478	9.3
175.08670	54.0
176.07114	3.2
181.07588	3.5
182.08405	3.0
183.09187	22.0
185.07057	13.4
186.05501	3.6
186.07721	1.8
187.08743	3.5
188.07086	2.7
190.08597	2.6
198.05605	2.0
199.08730	13.0
200.07097	16.5
201.10423	2.2
203.08154	100.0
204.06615	5.0
204.08456	2.2
207.09163	3.2
209.07068	8.7
215.08104	3.3
216.08939	4.2
217.09718	33.9
221.09210	52.9
227.08176	11.6
228.06400	3.5
231.07648	7.2
238.08585	1.8
243.07652	1.9
245.06781	3.7
245.09164	30.7
251.08141	1.9
263.07706	3.4
263.10278	38.4
269.09390	2.0
299.10345	3.5
301.11627	2.9
307.55612	2.0
311.10428	2.3
329.11453	4.5
347.12402	7.8
348.10870	9.5
365.13431	29.6
366.13547	1.9
383.14487	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	383.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.05502	17.2
57.03423	18.8
59.04980	5.2
59.75803	3.9
69.03429	20.3
69.80948	13.8
69.81353	6.7
70.06587	8.3
71.04990	9.8
73.02893	5.4
73.06174	5.7
73.06559	100.0
73.86160	3.9
81.03412	10.7
83.04976	19.6
85.02905	47.9
85.06118	5.6
85.06551	49.1
93.20336	4.4
97.02895	22.5
98.20849	8.7
98.21407	5.7
99.08084	14.5
101.06021	20.5
103.07579	15.9
104.98104	5.1
109.02853	7.5
112.07641	8.9
119.07033	12.6
121.08617	18.0
127.03923	16.9
136.02310	5.6
140.07018	4.6
142.34555	4.0
145.04970	10.7
161.36275	4.9
175.05574	4.1
177.05504	8.0
193.01358	6.5
195.86336	4.4
198.35748	5.2
221.00797	54.5
231.06369	4.7
244.66969	5.0
249.07628	7.0
353.09772	5.9
383.03976	12.4
383.09106	10.5
383.13278	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.8
57.03419	11.8
57.21316	11.0
69.03429	32.3
69.07074	17.8
71.14115	19.6
71.14461	13.2
73.06551	100.0
79.05500	10.9
81.03402	19.6
81.07038	13.7
83.04984	22.8
85.02913	70.4
85.06547	47.5
89.06033	36.2
95.04977	14.8
95.08579	15.0
97.02908	34.3
98.21287	18.6
101.06024	19.0
103.07567	14.4
109.02879	23.2
114.62189	13.3
127.03934	27.8
145.04982	13.2
145.10031	13.9
153.01848	32.4
167.03513	12.8
181.04890	21.7
238.05341	60.2
247.07703	12.2
318.38068	13.3
320.48584	11.0
341.02802	14.7
351.12167	18.6
353.09946	18.4
359.15195	15.1
360.41806	12.1
383.14880	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	382.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.05509	10.3
57.03437	8.4
59.04992	3.1
61.02956	3.3
69.03431	13.6
69.33289	15.4
69.33711	10.0
73.06165	5.3
73.06558	100.0
81.03419	7.9
83.04984	11.0
84.05318	3.3
85.02921	26.9
85.06582	4.1
97.02903	41.5
98.20908	10.7
99.04479	3.6
101.06006	13.3
109.02881	8.8
119.07066	11.3
127.03919	20.4
145.04980	22.1
163.06038	6.5
199.09665	10.4
235.11632	3.2
245.10246	12.5
263.11145	4.1
269.81375	2.8
291.48950	2.8
309.93268	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	382.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98656	0.5
55.62766	0.4
56.96565	8.9
58.28239	0.3
70.12874	1.0
71.95276	2.2
85.48971	0.3
91.86994	0.3
98.21300	0.6
98.97582	83.3
99.97864	0.5
116.98621	72.1
117.98944	0.3
119.01888	0.4
131.00157	0.6
134.99658	47.1
137.03032	0.5
140.00201	1.5
149.01239	0.9
153.00720	6.4
158.01224	1.9
174.97556	0.3
177.00981	0.6
216.98775	1.0
219.02040	0.6
221.13725	0.3
234.99835	3.2
235.99985	0.4
240.98651	6.0
258.99774	74.0
259.99911	2.3
261.00391	0.6
261.03085	1.3
263.02652	0.4
273.01364	1.6
274.97513	0.4
275.97647	0.4
277.00821	100.0
278.00955	3.5
279.01169	0.5
282.01263	2.5
282.99860	2.7
283.99954	0.6
291.02359	2.1
295.01895	0.9
298.97772	0.3
300.02380	4.3
301.00998	3.8
302.01163	0.7
303.00879	0.6
316.98920	0.5
317.98993	1.2
359.00507	1.4
359.99817	1.0
368.03568	0.4
382.99902	1.4
400.93228	0.5
401.01056	8.2
401.94308	0.3
402.01172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39426	0.2
53.03934	0.3
55.01860	0.8
59.54949	0.2
63.80217	0.3
65.03937	0.3
67.05504	0.6
68.99789	1.7
69.03419	0.6
69.32092	0.2
70.26080	0.3
71.04985	0.4
78.75816	0.3
79.05479	0.5
80.03545	0.2
81.03413	0.8
81.07036	0.4
85.02918	0.6
89.03896	0.8
91.05473	0.6
93.03371	0.3
93.07029	0.4
95.04938	0.5
97.02885	0.5
98.20998	0.3
99.04435	0.8
101.47387	0.2
105.03413	0.3
105.07027	0.4
105.23009	0.2
105.48173	0.2
107.04966	1.5
107.08600	0.4
109.02889	0.6
109.10149	0.4
110.03630	0.4
111.04460	0.9
117.03374	1.3
119.08539	0.5
121.10151	0.3
123.04422	1.3
123.06874	0.2
123.72681	0.2
124.01541	1.6
127.03902	0.3
129.06998	0.3
135.04428	2.7
136.05177	0.4
137.02347	0.3
137.05980	0.6
139.03891	1.1
139.63742	0.3
145.02858	1.5
152.01053	2.0
153.01811	1.3
157.06505	0.3
163.03905	12.1
165.05527	0.4
166.02661	0.3
167.03406	100.0
168.03745	1.0
170.02072	2.7
178.02650	0.3
180.04176	2.1
185.04449	0.6
185.05869	0.5
189.12798	0.3
193.05020	1.5
196.64493	0.2
201.05592	0.4
214.39944	0.3
219.08070	0.5
221.11728	0.3
229.04987	0.3
229.08583	0.3
233.08075	0.4
243.06604	0.3
247.07600	0.8
248.08315	0.6
253.04904	0.3
261.07587	0.8
263.10721	0.3
265.08441	0.3
275.07043	0.4
276.07886	0.7
285.04697	0.3
285.07516	1.4
286.04761	0.6
289.08478	0.3
290.09409	0.4
291.10172	0.6
292.07199	0.5
293.08090	0.6
301.07132	2.8
302.07690	1.6
303.08640	40.3
304.08936	0.8
307.09750	0.4
308.10413	0.4
319.09586	0.3
323.12671	0.3
337.10699	0.5
351.12128	0.8
353.10242	0.8
368.12555	0.7
383.04324	20.9
383.14835	5.0
384.04602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2636
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
55.05525	7.3
57.07066	2.2
65.03938	2.8
67.05506	14.5
69.07064	6.2
71.57892	3.0
79.05488	19.5
81.07047	16.9
83.01337	1.8
83.04984	2.5
83.08589	2.2
85.02892	1.9
91.04976	1.7
91.05484	25.1
93.07048	15.9
93.81643	1.6
95.04979	3.5
95.08613	9.0
95.58050	1.7
97.02913	2.5
97.06605	1.9
103.05444	1.6
105.07030	20.6
107.04955	2.3
107.08582	9.1
109.06446	1.7
109.10149	4.7
115.05482	1.8
117.07003	6.4
119.08583	20.6
121.10107	3.7
127.03917	3.2
128.06238	2.4
129.07019	4.6
131.08563	8.4
133.06430	2.9
133.10107	6.3
135.11769	2.1
137.05986	2.0
139.03891	5.9
142.07724	1.9
143.08516	4.4
145.10110	5.1
147.11662	3.8
149.76759	1.5
153.00565	2.0
153.01823	35.0
153.05478	3.3
155.08554	3.2
157.10153	2.7
159.11661	3.7
161.13243	14.2
167.07063	5.7
169.10051	2.4
171.11729	1.7
181.04951	62.3
181.08574	1.7
183.11745	2.4
185.13268	12.5
187.14796	2.2
191.07079	4.1
199.14784	3.7
201.16402	5.3
207.06561	4.6
209.13252	2.5
219.06429	2.0
220.07294	17.3
227.14339	4.6
228.07857	1.7
231.06335	1.8
231.10181	2.2
231.52324	1.7
233.08086	100.0
234.08574	3.9
245.08035	3.8
246.08820	3.0
247.09653	5.0
259.09689	31.0
259.12488	2.7
266.22366	1.8
273.11176	4.7
339.16040	2.6
363.19418	4.2
363.25232	12.0
381.20529	83.5
382.20932	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	382.1705
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03944	4.1
55.05518	4.1
56.89938	3.6
69.03424	7.1
69.07061	6.6
69.65748	21.2
70.02962	3.7
72.04500	8.4
73.06544	8.9
81.03437	5.9
85.02906	13.0
85.06535	7.3
86.09699	4.2
90.05563	66.6
96.02262	3.5
97.02867	6.9
98.02407	10.0
98.20853	8.0
101.05998	6.0
103.07593	4.7
109.02869	4.0
116.03458	11.1
124.07581	11.0
127.03903	6.2
142.08638	6.1
152.17200	3.5
167.03741	3.4
184.09746	7.7
195.45039	3.5
202.10796	28.3
204.95866	3.6
220.11823	100.0
261.94690	4.4
283.87286	4.3
337.84180	4.0
375.77121	4.3
382.02994	5.9
383.04153	8.5
390.00452	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	382.1709
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.37068	2.5
52.56767	3.3
55.01881	15.7
55.05518	3.5
57.03428	5.5
57.07074	9.4
59.05009	3.3
60.09372	2.8
60.23257	2.9
61.66882	2.8
67.05503	4.6
69.03419	18.2
69.07075	6.0
70.02946	8.9
71.04966	2.7
71.30104	6.2
72.04516	28.8
73.02913	11.6
79.75146	3.2
81.03407	17.2
83.04987	6.8
85.02900	19.0
85.06547	9.5
86.09720	9.1
89.89901	2.9
90.05552	53.4
95.04963	8.4
97.02878	18.6
98.02412	17.5
98.97610	4.8
99.04434	6.3
100.03970	11.4
105.05170	3.0
109.02876	32.3
109.59388	2.8
113.06003	9.7
116.03472	23.9
124.07590	22.0
127.03926	23.2
132.06543	8.2
142.08606	13.9
145.05013	7.3
158.99646	4.8
160.09724	10.9
166.08702	5.0
172.09625	3.7
174.11246	6.0
184.09669	31.4
187.06078	4.9
196.95534	3.4
198.07571	4.1
199.06076	16.3
202.10750	100.0
203.11499	4.6
211.09656	9.7
216.08730	3.9
217.07153	14.8
220.11806	44.9
230.10272	5.9
231.05550	3.4
234.09804	17.3
244.11778	3.5
262.12799	19.6
269.18536	2.8
310.12909	8.5
328.13858	37.2
346.14999	15.4
364.15991	29.0
382.08472	3.3
382.16934	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	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85695	2.6
55.01868	13.9
57.03447	3.7
57.07074	8.7
59.04998	4.1
66.45577	2.3
67.05501	5.3
69.01154	2.9
69.03439	15.9
69.07075	6.4
69.27744	24.5
70.02959	9.0
71.04970	3.8
72.04519	22.9
73.02917	10.7
74.06084	4.7
76.62235	2.2
81.03419	16.4
83.04984	7.1
85.02930	17.3
85.06525	7.3
86.09712	6.1
87.08106	2.8
90.05563	52.8
95.04976	6.8
96.08176	3.8
97.02890	17.1
98.02415	17.6
98.20747	4.1
98.21410	6.6
99.04459	7.6
100.03979	5.4
103.07590	3.3
108.83771	2.8
109.02888	23.2
110.42346	2.4
113.06028	4.0
116.03455	19.4
116.07117	2.4
124.07588	18.1
127.03928	21.7
131.07011	4.1
132.06566	6.7
142.08611	14.5
145.05002	8.8
153.01820	3.7
160.09698	7.3
166.08609	3.5
172.09700	3.4
174.11269	6.2
184.09691	26.8
187.06096	4.2
198.07564	3.2
199.06036	10.4
202.10759	100.0
203.11465	2.5
205.07100	4.0
211.09714	8.2
215.85573	2.9
216.08694	6.1
217.07072	14.7
220.11804	38.9
230.10196	5.9
234.09714	13.5
244.11789	3.0
262.12866	11.9
310.12888	8.3
328.13922	31.1
346.15039	13.0
364.15997	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
54.74865	1.0
55.05511	2.2
57.07066	2.0
67.05505	7.9
69.07056	3.0
71.28228	2.3
72.08133	2.5
79.05058	1.6
79.05493	14.2
81.07059	10.5
83.01322	2.6
83.04974	1.9
91.05496	13.0
93.07050	16.0
95.04956	1.6
95.08608	4.4
99.04437	1.2
105.07035	12.4
107.04961	4.3
107.08598	12.1
109.06525	3.1
109.10152	2.4
111.04436	1.0
111.08088	1.2
117.07037	5.9
119.08575	7.3
121.06481	3.0
121.10168	1.8
123.08087	1.6
128.06230	1.9
129.06984	9.5
131.08591	9.2
133.06493	2.4
133.10117	7.6
135.08057	4.8
135.11705	9.3
137.05936	1.8
139.07513	6.8
142.07761	1.8
143.08562	7.4
145.10120	9.1
147.08070	1.9
147.11682	13.2
148.97783	1.1
149.09636	1.6
149.13264	3.8
151.07559	5.1
153.05548	1.2
153.08975	1.6
155.07076	2.8
155.08559	1.7
156.09357	2.2
157.10149	10.4
159.08028	1.8
159.11729	6.7
161.09703	1.7
161.13266	1.7
163.07545	5.6
165.09117	4.0
167.07028	11.1
168.07852	5.2
169.08614	7.7
169.10088	2.8
171.11711	9.8
172.08904	1.6
173.09583	2.0
173.13301	2.4
174.10283	1.2
175.07561	1.7
175.11182	2.2
180.49576	1.2
181.08615	11.2
181.10065	2.0
185.13197	4.9
187.11162	4.5
187.14861	8.1
189.09160	3.0
189.12721	1.9
190.09950	1.7
195.10103	1.0
195.11789	1.8
199.11168	3.0
199.14806	1.3
201.16435	3.0
205.08554	1.7
205.12259	3.1
207.10138	2.6
211.07509	1.4
212.08434	2.2
213.12933	1.4
213.16391	21.8
214.16943	1.4
215.10680	2.4
217.12244	3.7
226.09909	2.4
227.10564	2.4
227.17958	2.2
229.08604	2.7
229.12190	1.7
230.09366	2.5
233.11726	30.3
235.13278	2.5
241.12263	3.1
243.10075	1.3
244.10931	3.4
245.11737	29.5
247.13283	16.5
255.17419	6.0
257.11905	1.1
259.13300	29.6
279.13803	1.2
285.14896	1.0
299.16602	2.0
307.17078	1.3
313.17810	1.1
363.23309	2.6
381.24255	100.0
382.24802	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	381.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99990	1.9
50.21976	1.9
53.03940	2.4
53.25488	1.9
55.05502	9.9
57.03406	2.6
57.07065	5.9
67.05507	22.7
69.03431	2.5
69.07054	6.4
71.31001	3.1
79.05499	21.5
81.07058	20.5
83.01324	3.3
83.04981	2.3
83.08609	4.0
85.02885	2.8
91.05484	30.0
93.07046	18.3
93.49493	2.3
95.04967	3.5
95.08616	12.2
97.02869	3.8
97.06493	2.3
97.10159	2.0
105.03358	2.5
105.07023	24.9
107.04964	4.4
107.08580	11.8
109.06537	1.9
109.10141	7.3
117.06997	5.5
119.08588	19.8
121.10149	6.0
123.11703	2.6
125.64118	2.3
127.03929	5.0
128.06198	2.1
129.06993	6.5
129.29091	2.0
131.08559	7.9
133.10143	10.4
135.11707	5.3
139.03899	6.6
143.08546	5.1
145.10118	6.8
147.11732	3.1
153.01830	57.7
153.05397	3.8
157.10181	4.8
159.11661	4.0
161.09612	2.2
161.13286	17.4
167.07091	4.7
167.08565	2.1
169.10101	2.1
171.11655	3.4
181.04953	67.1
185.13280	12.3
191.07079	5.6
195.06505	2.5
199.14900	4.0
201.16443	7.8
207.06503	7.4
209.13292	3.5
213.16374	3.4
217.08629	2.9
219.06526	3.9
220.07304	19.7
227.14299	3.9
231.06459	5.0
233.08096	100.0
234.08525	3.4
245.08130	5.0
245.11617	3.0
247.09702	6.3
259.09686	34.2
259.12503	2.9
273.11258	5.4
340.67368	2.3
363.19788	4.9
363.25201	17.4
368.78900	2.1
381.20511	83.6
381.24075	4.4
381.31616	3.2
382.20837	3.7
383.90094	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	381.2271
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
55.01864	3.8
55.05507	15.2
57.07074	28.9
67.05512	22.3
68.99781	4.5
69.07049	7.6
70.81673	7.5
70.85834	2.7
71.05003	4.2
71.08626	30.0
77.78819	2.7
79.05511	19.9
81.07060	31.9
83.04984	4.5
83.08607	5.1
91.05470	8.1
93.07034	24.7
95.04942	4.6
95.08622	14.3
97.06519	6.8
97.10141	3.4
105.06989	6.3
107.08630	12.8
109.10157	6.6
111.04438	4.2
117.07031	4.5
119.08603	5.0
121.10139	25.0
123.04427	4.9
123.11712	5.1
128.06148	3.2
129.05540	3.1
129.07011	5.8
131.08559	8.9
135.11700	11.2
141.05466	67.1
141.12746	17.3
143.08543	4.8
143.14247	2.6
145.10155	5.6
147.11771	2.6
152.01031	2.6
153.05461	7.5
157.10086	5.3
163.07561	4.0
167.03410	100.0
167.07060	6.7
171.11450	2.5
177.05453	9.2
177.16412	21.6
179.07028	7.9
181.04990	12.6
185.13213	5.9
187.14760	6.0
191.07025	5.2
193.44206	3.0
195.06534	3.3
195.17303	2.8
205.08574	5.8
205.15849	5.7
209.07979	3.6
223.16937	12.2
227.14258	4.4
241.17969	23.7
248.07542	2.6
279.22379	2.7
363.21646	25.9
381.20618	12.9
404.10440	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	381.227
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
53.03936	3.8
55.01861	2.5
55.05524	11.6
57.03445	3.0
65.03949	1.9
67.05500	28.7
69.03445	3.6
69.07056	8.4
69.60237	14.8
71.05016	2.3
71.07173	2.0
79.05502	22.4
80.50317	2.3
81.03404	2.3
81.07059	51.5
83.01323	3.6
83.04980	5.4
83.08614	5.8
85.06546	3.6
91.05471	21.6
92.47568	1.8
93.07043	33.2
93.61337	1.8
95.04958	6.0
95.08612	36.8
97.06513	5.9
98.20839	3.5
98.21456	4.7
99.08118	2.0
105.07023	18.8
107.08589	23.0
109.06526	6.3
109.10175	10.1
111.08070	3.3
117.07007	9.1
119.08567	11.6
121.10119	11.7
123.08059	3.7
125.05982	2.2
125.09622	3.1
128.06235	3.4
129.07005	5.7
131.08569	20.8
133.10097	6.8
135.08037	4.5
135.11743	5.6
137.05984	14.7
137.09576	3.0
139.03914	2.9
139.07553	3.5
143.08545	7.7
144.08151	2.1
145.10150	10.2
147.08037	3.4
147.11670	6.3
149.09607	3.4
149.13263	7.2
151.07553	3.4
153.01837	8.6
153.05441	4.2
155.07037	100.0
157.10123	5.3
159.11667	3.0
161.13243	2.6
163.11110	2.6
163.14798	3.9
167.03398	3.8
167.07057	16.6
171.11664	2.5
173.13240	13.7
181.04956	68.5
183.06639	1.9
185.13248	7.1
191.06975	3.7
191.14270	8.4
193.08597	2.4
196.72566	1.9
209.08060	2.7
209.15341	10.0
211.15051	1.9
213.16406	2.5
213.50975	2.2
227.14516	2.6
231.10201	3.5
270.82227	2.0
289.21640	5.1
299.63724	2.3
381.20285	16.9
381.27673	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	381.206
Annotation	vis-Miaphenone C
Peak:m/z	Relative Intensity
51.02375	0.5
53.03934	2.3
55.05527	4.0
55.84776	0.5
56.39028	0.6
57.07065	0.6
65.03932	1.4
67.01863	1.4
67.05509	10.4
68.99780	1.8
69.03461	0.7
69.07057	2.5
69.57004	1.4
69.57407	3.3
77.03904	0.7
79.01857	0.6
79.05493	20.0
81.07062	11.1
82.64228	0.7
91.05485	14.1
93.06461	1.2
93.07049	21.4
95.04973	2.0
95.08031	0.8
95.08607	7.3
97.10133	0.6
97.75889	0.6
98.21096	2.3
105.03394	0.7
105.04514	0.8
105.07043	8.3
107.04947	0.8
107.08611	10.4
109.10136	2.9
111.00813	1.2
117.07004	2.5
117.40096	0.7
119.08588	6.4
121.10145	5.4
123.04426	1.5
127.03912	0.9
128.06239	0.8
129.07001	2.1
131.08536	4.6
133.10129	6.3
135.11691	4.7
136.84334	0.8
137.06009	0.8
139.03899	7.9
139.51091	0.7
143.08575	3.1
145.10115	5.7
147.11682	5.0
149.05942	0.6
151.03955	1.7
153.01836	79.7
154.02168	0.7
155.03419	1.5
155.08548	0.7
157.10149	2.4
159.11662	3.7
161.13240	0.8
163.03944	2.1
165.05493	1.0
169.05048	0.8
169.10075	0.6
171.02896	2.6
171.11658	4.5
173.13281	1.3
177.05511	1.2
179.03381	6.9
181.04962	2.2
185.13237	1.4
187.14769	1.2
189.05472	1.0
189.16409	2.8
191.03439	1.3
191.06929	0.7
192.04164	8.9
193.05005	1.7
195.11671	0.9
203.07060	1.0
205.04974	33.8
205.08255	1.2
206.05739	0.7
208.61476	0.7
211.14896	1.7
213.05438	1.5
213.16402	21.8
217.04976	2.1
217.08612	0.8
219.06506	2.6
219.10097	0.7
227.17955	1.6
229.08630	0.9
229.19601	4.3
231.06558	10.6
233.08081	5.7
237.16322	1.2
245.08183	3.5
247.09700	2.1
255.17493	0.9
259.09738	3.5
261.11221	1.1
273.11176	1.8
275.12909	1.2
279.51730	0.8
283.13333	0.7
287.12695	1.4
289.14380	1.5
301.14426	3.6
311.12784	0.8
313.14270	1.7
315.15958	1.9
321.14719	0.9
325.14368	2.8
339.15881	4.4
353.17422	5.8
363.19528	6.1
381.20605	100.0
382.21066	4.5
386.70261	0.7
390.24298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.206
Annotation	vis-Miaphenone C
Peak:m/z	Relative Intensity
51.02386	0.8
53.03947	4.3
55.05510	6.6
57.07057	0.8
65.03920	1.5
67.01861	1.8
67.05175	0.9
67.05513	15.3
68.27500	0.8
68.99799	1.4
69.07076	3.9
71.07992	1.5
77.03922	1.0
79.02845	0.9
79.05497	28.5
81.07060	15.9
83.08595	0.9
91.04959	1.4
91.05486	18.8
93.06469	1.6
93.07051	27.9
95.04971	3.9
95.08611	7.6
105.03393	1.4
105.04496	1.5
105.07029	9.4
107.08601	14.0
109.10157	2.4
117.06988	2.2
119.08600	5.2
121.10139	8.0
123.04459	2.5
127.03898	0.9
129.06950	1.9
131.08580	2.9
133.06430	0.8
133.10139	6.0
133.47418	0.7
135.04378	0.8
135.11707	5.2
137.05983	0.8
139.03912	6.2
143.08578	1.9
145.10126	3.6
147.11696	3.2
149.13205	1.3
151.03893	1.1
153.01834	43.2
159.11690	3.6
161.13293	3.2
163.03929	4.2
165.05458	1.0
171.02823	1.4
171.11748	1.6
177.05472	1.8
179.03397	7.6
181.05032	4.7
185.13297	1.1
187.14836	1.0
189.05513	2.4
189.16426	4.0
191.03430	1.8
191.07072	1.1
192.04216	10.4
193.04979	2.4
201.05319	0.8
203.07092	1.8
205.04965	47.5
206.05597	1.2
213.16336	5.6
217.04976	1.9
217.08530	1.6
219.06516	2.8
220.07277	1.4
229.19461	1.1
231.06528	13.1
231.10074	1.2
233.08084	13.6
237.16440	1.0
245.08080	5.1
247.09610	2.5
255.17447	0.9
259.09540	4.8
261.11227	1.3
273.11334	1.2
275.12790	2.0
287.12698	2.2
289.14246	2.2
299.12775	1.1
301.14359	6.7
311.12726	0.8
313.14337	3.0
315.15942	1.8
325.14349	4.2
326.14935	1.0
327.15836	1.0
339.15857	6.5
351.88660	0.8
353.17465	6.8
363.19562	3.7
381.20599	100.0
382.20963	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	380.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
57.03438	6.7
69.03433	1.6
71.26914	3.4
73.02913	2.0
73.06558	5.3
75.04486	4.1
80.21567	1.7
85.02904	6.9
95.01333	71.7
97.02906	2.5
98.14608	1.6
113.02372	100.0
118.05032	4.2
119.08520	2.0
121.10159	1.8
130.28555	2.0
133.90862	1.9
134.64854	1.8
141.01846	7.9
169.04956	49.8
183.13828	2.9
187.06026	60.2
188.13914	1.9
231.31221	1.9
248.90332	1.6
368.95679	1.6
380.77692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70874	0.8
57.31123	0.9
69.03439	1.3
69.69164	2.0
69.69583	3.4
84.34581	0.9
85.02885	1.4
85.06528	1.1
95.08617	1.1
98.21497	1.3
109.02914	1.1
111.01256	0.8
120.26985	1.0
122.55034	0.9
124.49069	1.0
127.03909	1.4
141.05496	1.1
147.04474	1.1
155.08501	1.4
161.04399	0.9
165.05603	1.2
165.07059	3.3
178.07816	1.7
179.08543	8.0
183.08092	10.4
189.07033	3.6
194.07201	1.3
206.07396	1.2
207.08057	58.6
209.09615	1.5
211.07536	6.3
217.06439	7.4
221.05934	5.3
223.07610	5.4
225.09052	2.3
235.07535	87.3
239.07040	18.9
253.08604	100.0
254.08987	1.3
263.06937	1.8
281.08072	14.6
299.09146	43.1
327.08627	3.1
342.53058	0.9
345.09705	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	380.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.0
57.03437	5.1
61.02936	1.0
69.03441	5.3
70.06862	2.4
70.07266	1.6
72.04498	1.1
73.02894	0.8
73.06561	30.3
81.03427	2.2
83.04979	3.4
85.02905	11.9
86.09742	0.8
90.05572	1.6
95.01330	3.1
97.02891	13.4
98.20831	1.6
98.21378	1.6
100.03985	5.4
101.06021	5.7
109.02879	2.5
113.02367	5.6
118.05026	100.0
119.07040	1.5
123.75558	0.8
127.03922	9.5
137.06102	0.9
145.04970	5.6
153.01833	1.1
154.13629	0.7
169.04956	2.4
187.06058	3.0
201.58647	0.7
221.90474	0.8
226.07118	1.1
227.09206	1.0
245.10248	2.0
246.85677	0.8
362.03220	0.8
380.16101	3.6
381.02356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14445	2.3
56.09361	2.5
60.55843	2.2
70.73284	5.8
70.73630	3.0
84.12868	2.5
98.20815	3.3
98.21388	3.0
180.62288	2.6
191.43709	2.6
197.98846	2.6
220.11806	5.8
271.38199	2.4
344.83701	2.9
381.07938	100.0
382.17090	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88056	3.2
62.43169	2.7
62.43528	3.2
71.08171	6.6
82.86678	3.2
96.27741	3.1
142.80656	3.4
160.35748	3.3
201.01585	4.5
202.34908	2.9
213.67470	3.7
241.22115	3.1
253.98810	3.5
319.00998	3.6
381.07932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80544	1.1
53.03949	4.7
55.05260	1.8
55.05512	30.7
57.03433	6.1
59.05001	3.1
61.02917	2.8
69.03426	12.4
69.79318	4.0
69.79728	2.7
71.04990	13.7
73.06557	100.0
81.03425	5.3
83.04987	55.1
85.02907	32.4
95.04939	1.2
97.02892	17.9
98.21200	3.9
99.04462	4.4
101.02357	1.3
101.06022	78.1
109.02885	4.2
112.67822	1.2
119.07080	4.1
127.03912	16.8
129.05505	4.9
137.05984	2.9
137.08093	2.4
145.04962	11.8
145.06078	2.0
147.06517	5.2
163.06047	3.1
173.04480	2.2
202.06352	1.7
205.05077	1.2
217.10777	2.7
227.09203	3.0
229.04964	3.7
235.11803	2.5
245.10152	5.1
259.06204	1.5
261.07669	2.3
263.11160	2.1
271.05991	2.6
281.12323	12.0
321.09619	1.4
329.88785	1.2
345.15417	2.7
363.16623	5.9
381.11978	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2061
Annotation	vis-Miaphenone C
Peak:m/z	Relative Intensity
51.02373	0.8
53.03954	3.7
55.05517	6.6
57.07071	0.9
58.14136	0.6
60.10300	0.6
63.43439	0.6
65.03934	1.9
67.01852	1.6
67.05169	1.0
67.05506	15.4
68.99783	1.4
69.07067	3.7
69.99403	3.4
77.03947	0.8
79.05493	32.4
80.27986	0.7
81.07063	15.3
91.05488	19.3
91.81646	0.6
93.07047	33.4
95.04964	4.1
95.08607	8.8
97.10163	0.6
98.21011	1.8
105.03378	1.1
105.04534	0.8
105.07041	11.0
107.08603	16.2
109.06477	1.5
109.10159	2.6
111.00801	0.8
117.07047	2.2
119.08601	6.5
121.10145	7.5
123.04445	1.7
123.11720	1.1
127.03925	1.3
129.06990	1.4
131.08562	2.7
133.10152	5.3
135.11697	6.4
137.05965	1.6
139.03897	6.0
143.08575	0.9
145.10149	3.9
147.11688	3.0
149.13257	1.2
151.03880	1.5
153.01834	45.4
157.10181	2.0
159.11708	2.7
161.13239	1.3
163.03906	3.7
165.01759	0.7
165.05449	1.4
171.02875	1.0
171.11739	1.8
173.13324	0.8
177.05460	1.2
179.03398	9.5
181.04971	2.2
185.13280	1.3
187.14841	0.7
189.05426	0.9
189.16420	2.9
191.03340	1.6
191.07111	1.0
192.04179	12.8
193.04953	2.2
203.06993	1.2
205.04962	50.6
206.05623	1.9
211.14803	0.9
213.05551	1.1
213.16399	5.2
215.07060	1.0
217.04967	3.3
217.08458	1.4
219.06613	3.5
229.04880	1.1
229.19569	1.4
231.06522	14.0
233.08066	9.7
245.08110	4.3
247.09666	2.3
253.88380	0.7
255.17500	0.8
259.09641	3.1
261.11337	1.6
273.11234	1.0
275.12704	1.8
287.12875	1.8
289.14432	2.5
299.12833	1.5
301.14371	6.0
303.16113	1.2
313.14389	2.1
315.15866	1.8
325.14319	4.3
339.15991	5.0
339.19556	1.2
351.94312	0.7
353.17487	6.3
363.19537	3.5
381.20593	100.0
382.21017	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	379.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60006	2.6
55.01877	9.3
55.05513	53.5
57.07081	35.6
59.05013	14.3
61.51781	2.6
63.86627	2.9
67.05511	27.9
69.03434	3.7
69.07072	100.0
70.30996	12.0
71.04983	4.7
71.08640	20.6
79.05493	9.4
81.07060	58.5
83.04969	5.8
83.08622	57.3
85.06512	3.1
85.10188	10.4
87.04478	40.5
91.05476	7.6
93.07045	17.6
95.04962	6.7
95.08612	64.3
97.06531	7.7
97.10176	35.3
98.21243	6.2
99.04469	3.4
101.02386	32.1
105.07045	12.3
107.04993	2.8
107.08607	15.2
109.06517	5.9
109.10159	38.8
111.04469	8.0
111.08086	11.8
111.11736	19.2
113.06023	10.8
116.18510	2.7
119.08594	16.9
121.10165	10.9
123.08083	14.0
123.11723	19.2
125.09676	3.5
125.13281	8.1
127.07567	8.1
131.08498	3.0
133.10124	7.9
135.08127	3.9
135.11665	13.1
135.82980	2.8
137.09628	14.4
137.13260	13.2
139.07527	8.9
139.11209	4.6
139.14796	3.6
141.09094	3.8
145.10118	4.8
147.08102	3.3
147.11722	7.5
149.09683	4.3
149.13251	6.7
151.14833	3.6
153.09123	7.3
157.08585	4.4
159.11665	5.0
161.13274	7.5
163.11223	3.4
163.14812	5.6
165.09125	6.7
171.10144	5.0
171.11586	5.1
175.14890	7.3
179.10495	3.5
188.71107	3.1
189.16364	4.7
207.17410	3.2
207.21135	2.8
242.33002	2.8
253.69434	3.0
263.27240	6.3
305.28326	3.5
319.29938	8.7
329.72272	2.9
343.30084	4.0
361.31085	10.2
379.32114	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	379.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13311	1.4
53.03947	1.4
55.05510	7.3
57.03431	2.2
57.07079	58.3
58.07426	1.4
59.04967	2.1
60.53375	1.7
67.05511	12.6
69.07069	12.0
78.49801	1.7
79.05483	5.9
80.84109	1.4
81.07059	38.5
83.04959	1.9
83.08617	7.4
85.06068	2.2
85.06548	36.9
91.05473	6.6
93.07030	13.7
95.08611	30.3
97.06544	2.4
97.10153	4.4
98.21226	9.2
100.83138	1.6
105.07030	8.6
107.08596	12.0
109.06509	2.2
109.10162	17.1
113.84479	1.6
119.08563	7.7
120.84453	1.5
121.10161	10.5
123.08130	7.6
123.11717	20.7
125.09638	5.0
127.07527	1.5
131.08554	1.9
133.10124	16.7
135.08064	5.7
135.11708	5.9
137.09616	8.4
137.13254	10.1
144.48520	1.5
145.10114	3.1
147.11678	5.8
149.09659	4.8
149.13246	8.5
149.91948	1.6
151.11189	19.6
151.14778	2.5
159.11703	3.4
161.13263	3.0
163.11125	2.5
163.14815	4.2
165.12741	2.8
167.03400	4.1
173.13156	2.2
175.14816	4.3
177.16411	2.2
181.04984	3.1
185.13107	1.8
187.14873	4.0
213.18579	2.2
219.20917	1.5
243.21143	4.8
259.24280	2.3
277.25217	9.5
325.28821	1.6
343.29950	10.8
361.31021	100.0
362.31143	3.0
379.32394	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	379.2842
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
55.05503	3.7
57.07061	5.2
61.43364	1.4
67.05508	11.8
69.07061	4.3
69.34485	13.4
71.08619	2.7
79.05501	2.9
81.07056	11.9
83.01352	1.7
86.62994	1.3
91.05464	1.9
91.35668	1.4
93.07048	3.8
95.08626	10.1
97.10187	1.7
98.21080	6.1
105.07007	3.0
107.08605	3.3
109.10149	5.1
119.08563	2.1
120.30077	1.3
121.06492	1.5
123.08031	2.7
131.08649	1.6
133.10144	2.1
135.08058	4.3
137.09573	3.1
139.07578	9.6
143.95848	1.4
149.09612	2.9
151.07568	4.0
161.09633	2.4
163.07526	7.3
165.09135	14.7
167.07036	5.9
169.08627	2.5
175.07521	1.6
179.07010	2.6
179.10728	2.0
181.04991	1.7
181.08598	16.6
185.92917	1.5
189.09125	8.7
191.07062	7.4
192.07826	2.3
201.19637	1.3
203.10641	1.6
207.10191	7.9
207.24033	1.5
350.94659	1.6
361.27335	13.6
379.28430	100.0
380.28815	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	379.2842
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
55.05518	4.1
57.03450	0.6
57.07079	5.3
62.18124	0.5
67.05512	6.1
68.99783	0.7
69.07089	3.4
70.87662	1.3
71.01349	0.5
71.05009	0.7
71.08639	2.7
72.89362	0.5
73.91694	0.5
79.05482	1.3
80.50775	0.5
81.07061	5.4
83.01338	1.7
83.08625	2.9
85.02936	0.7
85.10171	1.4
91.05482	1.1
95.04954	1.5
95.08612	5.5
105.07043	2.3
107.04943	1.0
107.08614	0.8
109.06525	1.3
109.10171	2.1
119.08563	0.9
120.50989	0.5
121.10156	0.7
123.04429	3.3
123.08080	1.4
125.06000	2.3
133.06502	4.3
137.05991	10.8
139.03923	1.1
141.05479	5.7
142.44089	0.6
147.11598	0.6
151.07564	8.1
153.05476	54.0
154.05835	0.7
155.03381	0.8
161.05995	3.3
164.04689	0.8
165.05504	2.5
167.03389	1.6
167.07036	2.7
169.04979	26.7
179.05461	0.8
179.07047	14.3
193.08600	0.9
211.26970	0.6
361.27377	2.1
379.28458	100.0
380.28772	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	379.2479
Annotation	F4-Neuroprostane (7-series)
Peak:m/z	Relative Intensity
51.18968	2.8
55.01868	6.2
55.05518	13.2
55.05743	2.7
57.07065	9.0
65.03937	8.4
67.05508	19.9
69.07077	14.3
71.24880	4.6
76.43331	2.5
79.05486	8.0
81.07056	15.1
83.01329	9.8
83.04993	4.3
83.08608	4.7
91.05471	5.8
93.03405	8.6
93.07036	8.7
95.04961	10.4
95.08621	16.2
97.02901	4.1
97.06541	4.9
97.10149	7.3
105.07043	7.2
107.08614	5.1
109.06488	3.5
109.10162	8.8
111.04438	6.0
119.04959	3.5
119.08595	5.2
121.06538	2.6
121.10186	4.7
123.04446	3.7
125.05985	5.9
133.06587	2.4
133.10167	3.3
135.04375	3.4
137.02332	9.1
137.06047	5.4
141.05463	2.6
143.08551	2.6
147.11734	3.0
149.05922	3.9
151.07481	3.9
153.05472	18.2
155.07025	6.7
161.02324	2.8
161.09676	6.1
165.05472	10.5
167.07054	8.8
169.04968	5.8
175.07527	4.0
179.03410	18.2
179.07080	5.5
181.04947	30.2
189.16492	3.5
191.07083	3.8
193.05025	3.0
194.05777	3.9
197.04500	15.8
203.10672	2.6
207.06506	12.1
217.08670	3.3
251.20076	3.1
276.58020	2.5
277.21683	20.5
287.20062	4.2
301.21597	4.9
315.23224	6.0
319.22687	8.6
328.95325	3.2
333.24188	21.5
343.22729	12.6
361.23734	100.0
379.24753	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	379.2843
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
54.87211	1.2
55.05499	3.3
57.07079	2.0
59.20707	1.4
59.52267	1.2
65.03912	1.4
67.05506	10.5
68.99760	2.8
69.07063	1.5
70.75811	3.5
72.71016	1.4
79.05469	2.2
81.07041	6.0
83.08599	2.4
83.64132	1.2
88.90238	1.4
91.05484	2.3
95.04959	5.1
95.08595	8.6
97.46004	1.2
98.21307	1.8
109.10149	2.4
119.04950	2.9
123.04433	20.8
123.08026	1.6
133.06450	2.1
137.05971	4.6
139.03900	8.0
141.05463	8.1
147.04408	2.7
151.07541	9.9
152.19356	1.2
153.05469	100.0
154.05875	1.3
164.04675	1.4
169.04999	5.8
179.07022	20.4
182.07013	1.3
228.02521	1.2
266.31082	1.4
277.08679	1.3
359.87115	1.6
379.28452	89.3
379.32993	3.5
380.28857	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	379.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05510	2.5
57.07078	11.2
67.01858	0.9
67.05505	4.9
68.99780	0.8
69.03420	0.8
69.07072	3.4
71.01342	0.6
71.08632	8.5
71.58109	0.5
79.05481	0.4
81.06632	0.6
81.07061	5.7
83.08627	2.5
85.06534	1.2
85.10182	3.7
93.07048	0.8
95.08041	0.7
95.08611	8.1
97.02903	1.2
97.10173	1.6
105.07037	0.7
107.08591	0.5
109.10172	4.0
111.11738	1.3
115.03937	1.7
121.10133	0.5
123.11735	1.7
125.63604	0.4
127.03926	10.2
133.10129	0.5
137.13193	0.8
139.07561	0.4
151.03934	0.8
151.11189	0.4
153.01834	100.0
154.02197	0.6
161.13332	0.4
169.04956	2.0
211.20575	6.0
214.91615	0.4
227.61458	0.3
253.21693	2.0
361.30890	0.6
379.19589	0.5
379.24884	2.9
379.32266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Previtexilactone
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	1.4
55.05263	1.4
55.05510	18.8
57.03427	2.0
57.06815	0.9
57.07077	11.2
65.03930	1.3
67.05507	46.4
68.99788	1.0
69.03447	1.1
69.06717	1.0
69.07069	17.1
69.92822	3.8
70.06337	0.6
71.04995	5.0
71.08619	6.2
73.04001	0.6
79.05497	9.0
81.03404	0.9
81.07057	63.2
83.01344	4.2
83.04966	2.1
83.08622	15.0
85.02915	1.4
85.06544	2.4
85.10157	1.4
91.05482	8.8
93.07048	9.2
93.80362	0.6
95.04955	3.0
95.08608	66.2
96.08958	0.9
97.02872	1.1
97.06526	2.4
97.10171	18.0
98.20772	0.7
98.21304	1.6
99.04498	1.0
99.08131	1.7
105.07028	6.3
107.04942	1.6
107.08602	7.7
109.06514	3.8
109.10158	39.0
111.04462	0.9
111.08083	1.8
111.11754	3.5
117.06996	1.0
119.08570	11.5
121.10155	5.8
123.08038	2.1
123.11707	22.7
125.05984	1.3
125.09628	1.6
127.03918	3.4
127.07529	0.8
128.88603	0.7
131.08592	1.9
133.10135	11.3
134.59392	0.7
135.04443	0.7
135.08063	0.8
135.11742	3.4
137.05974	6.4
137.09624	7.7
137.13239	4.1
139.03888	1.2
139.07518	1.8
141.09096	1.0
141.12735	2.9
143.08633	0.7
145.10165	0.7
147.08034	2.2
147.11690	5.8
149.05994	1.6
149.09641	2.0
149.13237	2.0
151.07545	3.4
151.11195	2.4
153.01808	2.0
153.05467	2.9
155.07036	23.1
159.08054	1.7
161.13258	3.2
162.06715	0.9
163.03931	0.8
163.14790	1.8
165.05481	0.9
165.09169	1.9
165.12746	1.0
165.16406	1.2
167.05629	1.5
167.07051	26.7
168.07275	1.0
175.07539	1.7
177.09120	3.1
178.85497	0.8
179.07043	1.5
179.17949	13.7
180.93398	0.6
181.04959	100.0
182.05283	1.4
183.06548	1.7
187.07658	0.8
189.09064	1.0
189.16383	28.4
189.18109	1.5
190.06279	0.9
191.07048	4.0
193.08673	5.3
193.10175	1.1
197.19023	9.9
198.06688	1.0
199.06003	2.0
205.08617	6.0
207.06494	0.8
207.17451	21.9
209.08009	1.4
217.19597	1.4
221.11685	2.4
225.18526	6.5
231.10335	1.0
237.11240	4.9
243.19316	0.8
315.23245	0.9
343.22681	6.1
361.23694	13.1
379.19943	1.4
379.24841	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	379.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05513	9.6
57.06817	1.4
57.07079	16.6
65.03935	0.7
67.05505	18.4
69.07069	14.5
71.04994	29.5
71.08237	1.0
71.08635	20.1
71.57814	1.4
79.05486	2.8
81.07060	26.4
82.07408	1.0
83.08629	9.9
85.06538	6.1
85.10184	8.1
89.06075	1.0
89.31184	0.7
91.05489	3.9
93.07050	4.7
95.04992	0.9
95.08609	24.7
96.08912	1.4
97.06503	1.8
97.10167	8.2
99.04459	1.1
99.08080	1.1
105.07038	2.0
107.08585	4.2
109.06505	0.9
109.10154	15.5
111.04458	0.8
111.08109	0.8
111.11725	2.0
113.06047	0.9
115.07523	1.1
119.08575	3.9
121.06483	0.9
121.10143	2.9
123.08097	1.1
123.11714	9.1
125.09621	2.8
127.07501	1.0
131.08685	0.8
133.10118	4.3
135.11702	1.2
137.09608	1.7
137.13235	2.7
141.05489	0.8
141.12697	1.2
147.11702	2.5
149.13216	1.9
151.11179	3.0
153.05403	0.9
155.07016	4.9
155.14316	2.9
156.07405	1.5
157.07492	1.2
161.13287	1.9
163.14787	1.7
164.47559	0.7
165.12752	1.0
165.16391	2.6
181.04982	2.6
181.08713	1.1
182.05330	2.8
183.05522	2.5
189.16391	15.3
191.07042	10.9
195.12276	1.1
197.19017	100.0
198.19348	2.1
207.17494	9.1
225.18494	47.6
239.11807	0.9
335.29477	0.8
361.31161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57716	4.6
52.69591	5.4
55.05505	14.3
55.43576	4.6
57.07074	11.5
67.05512	46.7
69.07063	22.3
71.56786	6.0
79.05476	11.6
79.67133	4.2
81.07061	49.6
83.01341	6.7
83.04987	7.2
83.08606	10.4
85.50379	5.2
91.05476	16.1
93.07033	14.7
95.04977	10.1
95.08601	33.8
97.06504	6.1
97.10181	5.6
105.07019	17.1
107.08594	15.8
108.57307	4.5
109.06542	8.9
109.10166	24.6
113.09652	5.0
117.07058	5.1
119.08582	15.9
121.10119	13.2
123.04429	5.4
123.11698	13.6
133.10110	13.1
137.05937	9.3
137.09547	5.3
141.05418	5.2
145.10193	7.0
147.11696	6.2
151.07617	5.1
153.05443	5.9
155.07042	46.5
159.11714	5.3
163.14899	5.8
167.07056	28.8
181.04968	100.0
181.08624	4.7
189.16393	17.1
193.08658	11.7
207.17424	14.1
221.11745	12.0
231.10233	8.2
260.74957	5.1
297.23026	5.0
343.22568	10.0
361.23853	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	379.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05299	1.8
55.05510	20.1
57.07075	51.6
67.05505	57.0
68.99816	2.3
69.06715	3.2
69.07065	41.7
71.04989	2.2
71.08630	42.9
71.35118	1.9
71.49636	4.0
75.42350	1.9
79.05494	15.4
81.03409	2.9
81.07056	100.0
83.08623	23.8
85.06543	2.3
88.12354	2.2
90.21850	2.0
91.05475	10.0
93.07046	14.9
95.04972	3.9
95.08607	94.4
97.06487	3.3
97.10173	20.5
98.49361	1.8
105.07023	7.9
107.08596	8.8
109.02904	2.7
109.06488	3.3
109.10158	60.7
111.11734	13.0
119.08578	8.4
121.10153	13.1
123.04436	14.4
123.11716	34.2
125.13300	9.4
127.03922	72.0
127.09841	2.0
133.10139	11.6
133.10947	1.9
135.11714	11.0
137.05963	5.7
137.09604	2.7
137.13248	17.7
139.03915	15.8
141.12715	25.2
147.11606	10.8
149.13260	4.7
151.11201	3.9
151.14822	11.8
153.01826	9.4
155.03305	2.2
159.11671	2.1
161.13226	6.5
163.03934	2.6
165.05452	5.7
165.12714	2.6
175.14793	3.5
181.04936	14.8
189.16365	2.4
207.21082	27.6
217.19528	35.3
235.20580	31.6
250.88736	2.1
253.21617	17.3
271.22614	3.3
313.50345	2.0
379.18274	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	379.248
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
51.22171	2.3
53.03942	3.2
55.01876	4.3
55.05507	15.4
57.03424	2.8
57.07062	11.8
67.05505	31.7
69.07071	18.8
69.41250	21.6
71.04991	6.3
71.08614	6.3
79.05473	9.0
81.03400	4.5
81.07063	34.7
83.04947	3.0
83.08629	13.5
83.66442	2.7
85.02893	5.0
85.06532	3.3
89.58868	2.7
91.05465	11.9
93.07069	13.0
95.04958	14.7
95.08607	32.1
97.06499	6.4
97.10218	5.6
98.21270	11.0
100.28620	2.3
105.07038	10.1
107.04932	8.6
107.08580	10.6
109.06497	6.2
109.10170	17.2
111.04432	10.2
113.06026	14.4
117.07019	3.3
119.08537	5.5
121.02815	2.7
121.06467	3.2
121.10128	7.0
123.11714	9.8
125.05973	15.7
129.07008	4.1
131.08556	3.4
133.06509	4.7
133.10152	7.3
135.04448	12.9
135.11676	4.6
137.05969	5.7
139.03905	25.7
139.51352	2.5
147.04390	3.2
147.08087	5.8
147.11729	3.2
149.05971	6.5
151.03903	53.2
151.07524	5.4
153.05467	40.8
155.07027	9.5
159.08020	3.3
161.05965	6.4
161.09570	3.1
163.03893	9.5
163.07524	7.1
165.05461	6.0
167.07034	15.4
169.04985	5.7
171.06554	17.7
175.07581	9.3
175.11101	3.2
177.05402	3.4
177.09091	3.5
179.03406	25.5
179.07022	10.4
181.04959	32.1
183.08054	3.0
189.09076	2.6
189.16364	7.4
191.07066	5.3
193.04935	17.7
193.08562	7.7
197.04462	23.6
199.05975	13.9
203.10677	2.7
205.08522	6.0
207.06467	13.3
207.17517	5.4
208.07274	7.3
209.08025	6.1
215.10724	2.7
219.10165	10.2
231.10153	3.7
235.09566	3.2
259.20587	4.4
283.06335	14.8
287.20007	4.6
301.07245	3.1
301.21585	14.4
311.19827	4.6
319.22726	23.5
326.59534	2.8
329.20947	7.5
333.24176	19.0
343.22781	16.9
361.23734	100.0
362.24011	4.6
379.24869	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	379.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45076	2.1
52.38665	1.8
55.05503	10.2
57.07073	15.9
61.49234	2.4
64.92821	2.1
67.05505	15.1
69.07068	15.8
69.49906	17.6
71.04998	31.9
71.08279	2.3
71.08637	21.6
71.19355	2.2
76.19122	2.0
81.07062	28.8
83.08112	1.9
83.08607	9.8
85.06533	4.4
85.10169	8.9
91.05458	3.7
93.07037	3.5
95.08607	29.4
97.09619	2.0
97.10159	12.5
97.10726	2.1
105.07024	2.7
107.08582	3.8
109.10170	13.2
111.11687	2.2
119.08567	6.8
123.11716	11.6
133.10133	7.1
137.09534	2.4
147.11742	3.0
149.13220	2.8
151.11122	4.1
155.07047	11.0
155.14328	3.8
156.07407	3.0
157.07523	3.3
162.74124	2.4
181.04933	6.8
182.05357	4.9
183.05484	4.5
189.16446	15.5
191.07027	10.7
197.19009	100.0
207.17416	12.6
225.18492	54.6
299.05579	2.4
404.06137	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	Dendronpholide E
Peak:m/z	Relative Intensity
51.77623	5.4
55.05507	13.0
57.07068	7.0
59.44479	5.6
67.05505	28.6
69.01004	6.0
69.07059	18.8
70.82441	15.1
79.05479	9.9
81.07057	25.2
83.08653	10.5
89.06001	7.7
91.05463	8.4
93.07026	13.3
95.04982	7.7
95.08600	24.6
97.06542	6.2
98.21265	8.7
99.11746	5.3
105.06998	11.6
107.08611	10.9
107.99505	5.4
109.10143	11.0
119.08587	9.1
127.03917	16.2
133.10219	8.0
139.03906	23.7
143.08585	7.1
147.11668	10.0
153.01843	100.0
153.05463	7.4
155.07066	6.8
165.05466	11.0
181.04919	29.2
193.08633	11.7
205.04868	6.8
227.57402	5.9
307.55096	6.3
343.22537	6.9
345.90924	5.5
361.23685	17.8
361.27545	7.1
379.19043	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	379.2115
Annotation	4-Acetoxyflexilin
Peak:m/z	Relative Intensity
55.01877	3.8
55.05506	9.7
57.03449	4.3
57.07073	7.3
67.05508	22.2
69.07045	4.8
70.77905	6.1
70.78216	4.9
79.05484	10.1
81.07044	33.5
83.01323	4.5
83.08613	5.3
91.05477	11.0
93.07022	11.0
95.04969	5.6
95.08617	22.8
97.06533	3.8
98.20985	4.8
105.07026	13.9
107.08591	9.8
109.10155	13.0
119.08555	12.9
121.10119	11.6
123.11734	8.7
127.03849	4.2
133.10059	6.3
147.11679	11.0
155.07001	12.9
165.12740	4.9
167.07057	38.2
181.04973	100.0
182.25601	3.9
187.14755	4.5
189.16452	5.1
191.07050	4.6
197.13254	4.1
207.17442	5.5
217.08530	3.6
221.11754	8.4
235.13268	8.4
245.11821	4.3
264.35513	3.9
301.17963	6.4
319.18964	13.9
379.19037	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	379.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01868	2.4
55.05515	24.6
57.03447	1.8
57.06812	2.4
57.07076	20.7
63.44783	1.7
65.03940	2.1
67.05507	60.8
67.05872	3.0
68.99779	3.0
69.07070	24.7
71.04984	6.8
71.08644	7.8
73.38824	1.5
79.05495	18.8
81.03458	1.9
81.07061	100.0
83.01349	4.6
83.05002	3.1
83.08629	18.4
85.06520	3.3
85.10191	22.4
91.05486	13.3
93.07054	18.4
95.04952	9.4
95.08613	76.5
97.06540	4.7
97.10177	24.6
98.21262	1.6
99.04491	2.0
105.07044	17.6
107.04957	5.9
107.08610	13.0
109.06528	45.3
109.09452	3.2
109.10166	49.9
111.08059	3.2
111.11731	3.2
113.09650	28.5
117.07017	6.0
119.08591	14.9
121.06527	3.5
121.10143	11.9
123.04436	9.1
123.08098	5.0
123.11713	24.8
125.06001	6.6
125.09625	3.0
127.03931	5.9
127.07558	3.9
129.06946	2.4
131.08594	4.6
133.10135	18.8
135.08064	2.4
135.11716	4.6
137.05986	20.5
137.09633	9.1
137.13286	5.2
139.03897	4.8
139.07500	1.8
140.07968	1.6
141.05469	46.5
141.08983	1.6
141.12741	2.5
143.07014	2.6
143.08597	1.8
145.10136	4.6
145.75494	1.5
147.04468	2.3
147.08066	2.2
147.11682	8.2
149.09569	2.5
149.13326	3.0
151.07571	11.2
153.01828	9.6
153.05438	10.9
155.07028	22.1
157.10236	1.8
159.07970	3.0
161.08122	2.0
161.13266	5.4
163.03918	6.5
163.07481	2.5
165.09171	1.7
165.16452	3.2
167.03430	21.3
167.07057	15.5
175.07570	1.7
175.14842	9.3
177.05484	4.5
177.09172	4.6
178.58112	1.9
179.07057	6.4
179.14355	3.0
179.17960	15.0
181.04956	52.2
184.07207	1.9
185.13284	1.8
189.16379	30.7
190.06343	2.0
191.07002	5.0
193.15904	9.8
195.17421	5.6
197.18973	10.2
203.07036	3.7
203.14307	4.9
205.04942	3.9
205.08607	17.5
207.17450	24.6
215.07018	1.8
217.19600	4.0
221.11792	3.1
221.15359	24.3
225.18387	8.2
229.08609	2.0
231.10196	4.5
235.20465	2.4
237.11250	3.0
239.16475	5.4
259.13358	2.4
343.18878	3.9
343.22720	3.9
361.19775	3.5
361.23785	6.0
379.19049	7.2
379.24948	10.1
379.29129	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	379.2479
Annotation	Dendronpholide E
Peak:m/z	Relative Intensity
55.05509	2.4
57.07072	1.5
66.20024	0.8
67.05507	9.4
69.07078	4.2
69.66191	0.8
79.05496	3.9
81.07057	8.5
83.01332	1.6
83.08615	3.2
85.06509	1.1
91.05477	1.8
93.07043	2.2
95.04973	1.7
95.08605	9.0
97.02917	1.7
97.06538	2.1
98.20889	4.8
105.07042	1.6
107.08591	2.3
109.06524	1.2
109.10143	4.5
119.08569	1.1
123.08080	0.9
123.11723	2.2
125.05927	1.2
125.50182	0.9
125.71144	0.8
126.72693	0.8
127.03894	2.5
133.10123	1.8
137.05991	2.9
139.03932	5.0
143.99629	0.9
153.01828	10.3
155.07043	12.3
165.05424	1.3
167.07048	5.1
179.03482	1.5
179.07043	1.1
181.04962	100.0
189.16408	0.9
191.07022	2.2
193.08585	1.4
207.06555	1.5
207.17461	1.3
217.19533	1.3
229.55469	0.9
235.20596	1.6
343.22501	1.2
361.23721	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2479
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
55.05516	26.2
57.07079	37.4
67.05506	60.9
69.07070	30.4
71.08636	33.5
71.18288	3.9
79.05481	11.9
81.07062	100.0
83.08620	25.2
85.10210	2.2
91.05497	8.8
93.07040	7.7
95.08611	92.0
97.06512	4.2
97.10169	17.6
98.20891	2.5
105.07044	7.6
107.08602	10.5
109.06544	2.8
109.10155	52.8
111.08086	2.9
111.11718	10.2
119.08574	12.3
121.10167	13.0
123.04423	9.0
123.08035	5.0
123.11708	34.0
125.13292	5.6
127.03918	46.0
133.10143	12.4
135.11725	4.6
137.05968	5.3
137.09616	9.4
137.13243	10.2
139.03920	9.0
141.12744	19.5
147.11664	7.5
149.13261	3.5
151.11119	4.8
151.14839	7.1
155.07043	6.8
161.13231	4.8
165.05489	4.3
168.12624	2.7
177.09177	3.5
179.18001	15.8
181.04929	12.2
189.16367	25.0
205.08575	3.8
207.17467	27.7
207.21053	13.4
217.19550	22.4
225.18567	4.7
235.20587	17.2
252.62666	2.8
253.21698	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	379.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02122	0.4
55.05497	1.5
55.12551	0.5
67.05495	0.7
69.03423	1.1
69.07075	0.8
71.05007	0.9
71.17863	1.2
79.05550	0.6
81.03406	1.3
81.07040	1.8
82.98157	0.6
83.04987	0.9
83.08607	0.7
84.07613	0.5
91.05479	1.0
93.07047	2.3
95.08595	2.0
97.06503	0.7
98.21306	0.7
100.11246	1.8
103.73157	0.5
105.07013	2.0
107.08614	1.4
109.02886	0.7
109.06586	0.6
118.19151	0.6
119.08617	1.2
121.06517	1.1
121.10130	1.0
131.08598	0.8
133.10132	1.0
137.05940	0.9
138.41638	0.6
143.08586	0.6
145.10117	0.9
147.08110	0.8
147.11667	0.6
149.09650	0.7
157.10115	0.9
159.08025	0.6
161.05925	0.6
163.11256	0.6
163.73631	0.6
179.07031	0.7
181.04918	1.0
185.04234	3.8
189.12682	0.5
201.05212	2.8
216.07605	19.3
217.08368	14.7
217.11830	0.6
329.10519	0.5
348.12079	2.6
349.12589	0.8
379.13638	100.0
380.13876	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2115
Annotation	Nigakilactone A
Peak:m/z	Relative Intensity
53.03948	4.6
55.01855	4.3
55.05515	16.3
57.07094	2.3
65.03954	3.0
67.05507	37.1
68.99786	3.1
69.03438	3.9
69.07069	11.9
71.04997	4.8
79.05499	39.8
81.07056	45.2
83.04979	10.0
83.08618	3.9
85.02897	2.8
85.06577	3.7
91.05490	62.1
93.07060	28.7
95.04971	53.7
95.08603	20.5
96.31323	2.3
97.02908	2.8
97.06543	11.2
98.20800	10.3
98.21505	7.3
99.08062	3.8
105.07037	64.0
106.07417	2.9
107.04961	14.2
107.08608	16.3
107.45134	2.0
109.06516	18.1
109.10170	5.6
111.04379	3.1
111.08094	3.2
117.07023	11.3
119.08604	31.6
121.06502	3.2
121.10162	10.2
123.04404	2.8
123.08065	11.5
128.06270	2.9
129.07011	16.1
130.24078	2.5
131.08571	19.9
133.06448	4.9
133.10130	23.3
135.08058	3.7
135.11700	3.8
137.05975	19.7
139.03906	3.3
143.08621	13.2
145.10164	20.5
147.08017	2.9
147.11679	25.0
149.09613	14.2
149.13303	3.2
151.07567	7.5
153.01836	31.7
153.05411	3.6
155.07037	88.5
159.11710	5.4
161.13304	17.7
163.03891	3.4
163.11189	4.5
165.09204	2.8
165.12773	13.3
167.07039	16.1
169.10165	3.4
171.11699	23.3
175.07538	3.5
179.03419	5.3
181.04964	93.4
183.06563	5.5
187.14799	5.0
189.12776	24.2
191.07018	7.1
192.04182	8.2
195.02856	2.6
203.21388	2.6
205.04950	26.3
207.12144	2.6
207.13841	15.4
211.14807	3.3
225.14874	7.6
227.18007	4.2
231.06516	7.3
233.08153	4.7
245.08087	3.5
299.12781	5.1
343.19183	6.1
379.19009	100.0
380.19562	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	379.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01864	3.3
55.05504	9.4
57.03425	7.1
57.07070	4.3
67.05508	35.7
68.99780	5.0
69.03426	4.0
69.07066	19.2
71.05000	17.9
71.56212	2.4
71.56584	2.6
79.05501	26.0
81.03428	3.3
81.07061	47.3
83.04980	5.5
83.08617	8.5
85.06550	4.4
89.06022	2.2
91.05488	35.2
93.07050	30.8
95.04956	7.5
95.08038	4.1
95.08612	52.4
95.09225	2.5
97.06551	4.4
97.10175	4.4
103.05553	2.4
105.07033	50.5
107.04967	4.2
107.08598	31.5
109.02842	3.3
109.06535	6.0
109.10159	21.9
111.08080	5.1
117.07042	11.0
119.08591	41.6
121.10163	21.0
123.04430	4.8
123.08054	6.8
123.11729	17.0
125.09562	3.7
126.03279	2.1
128.06221	3.1
129.07007	7.3
131.08574	59.0
133.10149	20.2
135.07999	5.1
135.11696	11.5
137.09610	6.3
139.03925	3.4
141.04376	4.4
141.05472	77.9
143.08556	12.1
144.09312	3.9
145.10127	84.8
147.08017	4.6
147.11707	12.1
149.09618	5.7
149.13257	10.3
151.07498	2.6
151.11229	4.4
153.05482	22.1
153.09128	4.0
155.08522	3.5
157.10144	8.1
159.11711	21.4
161.13245	19.8
163.11247	2.6
163.14809	7.2
167.03409	100.0
167.07022	6.3
167.08461	2.3
169.10097	3.7
170.02026	2.6
171.11681	5.5
173.13264	36.1
175.14851	8.5
177.05453	4.8
177.16385	6.1
179.07053	6.1
180.09337	2.8
181.04967	5.5
183.11646	3.3
185.13286	8.9
187.14813	18.3
189.16362	3.2
191.17920	4.0
195.06496	5.5
195.11707	3.2
197.13243	2.5
199.14821	4.9
201.16364	4.7
203.14307	10.4
209.13290	2.9
211.14951	2.9
213.16394	5.1
215.17934	3.0
221.15411	6.9
225.16377	2.5
227.17966	4.6
233.48917	2.2
237.16518	4.4
241.19443	4.0
319.14966	2.6
333.25839	6.7
350.26349	2.3
379.18799	3.2
379.26364	21.7
379.33649	29.2
404.25925	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	377.2689
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
53.03947	0.5
55.01865	0.5
55.05517	3.6
57.07084	1.3
61.00401	0.2
65.03931	0.2
67.05505	3.2
69.03437	0.5
69.07076	3.6
70.79648	0.2
71.08630	0.4
71.57242	0.4
79.05501	3.4
81.07063	12.9
83.01347	8.6
83.04990	2.1
83.08624	1.8
89.06007	0.4
91.05484	1.5
93.07053	3.6
95.04964	0.6
95.08625	2.3
95.17951	0.2
97.06545	1.1
97.10176	1.0
99.08089	0.8
105.07047	1.0
107.04930	0.6
107.08602	1.8
109.06528	4.6
109.10175	1.3
111.04423	1.5
111.08115	0.6
111.11701	0.3
116.06968	0.2
117.06998	0.3
119.08571	0.7
121.06491	1.6
121.10130	1.3
123.08084	1.4
125.06005	4.2
125.06821	0.2
125.09686	0.2
127.07569	10.4
131.08582	0.5
133.08595	0.3
133.10161	0.5
135.04372	0.4
135.08086	1.8
135.11674	0.8
137.05978	0.4
137.09657	0.6
138.06760	0.3
139.07562	3.1
143.08578	0.3
145.10109	0.6
147.08086	0.3
149.05997	4.3
149.09604	0.9
151.07542	4.6
151.11418	0.2
152.04680	2.0
153.05470	2.9
153.09073	0.3
155.07010	0.2
159.08037	0.4
159.11693	0.4
161.09645	0.9
162.06628	0.2
163.07555	2.8
163.11111	0.3
165.09122	3.5
167.07056	4.6
168.07755	0.7
169.08618	16.9
170.08960	0.2
170.39732	0.2
173.09618	0.6
175.07564	0.5
175.11124	0.3
177.05495	3.3
177.09079	1.4
179.07047	0.6
179.10687	0.4
181.04990	0.7
181.08603	4.8
187.11240	0.3
189.09125	1.9
191.07013	1.7
191.10719	0.6
191.17935	0.3
192.07825	0.7
193.07011	0.2
193.08665	0.8
195.06546	45.1
196.06975	0.6
201.09171	0.5
203.10732	0.2
205.08662	1.2
205.12209	0.3
207.06543	0.8
207.10190	1.7
211.09717	0.7
213.07596	12.1
215.10680	0.4
217.08710	0.6
223.09627	4.7
229.12271	0.2
231.10188	0.7
232.10931	0.3
233.11691	0.4
233.18965	0.4
237.11227	0.8
251.12903	0.4
251.20007	0.4
263.82596	0.2
270.03214	0.2
279.16153	0.2
307.22717	0.8
313.25262	0.5
316.72189	0.2
331.26270	0.3
341.24829	0.5
341.28766	0.2
344.23251	0.2
359.25861	6.5
377.26883	100.0
378.27173	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	377.2688
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
53.03936	0.4
55.01872	1.0
55.05263	0.2
55.05512	3.7
57.07084	1.7
65.03938	0.3
67.05502	1.8
68.99790	0.5
69.03413	0.5
69.06722	0.3
69.07072	3.8
71.08613	0.7
71.19270	0.4
76.83861	0.2
79.05518	1.1
81.03448	0.2
81.07058	2.4
83.01336	1.2
83.04984	2.2
83.08622	2.5
85.10192	0.4
86.09705	0.3
89.06042	0.4
91.05463	0.3
93.07049	1.0
95.04971	0.3
95.08624	1.9
97.02876	0.5
97.06513	0.7
97.10162	1.4
105.07019	0.4
107.04923	0.2
107.08589	0.8
109.10148	0.8
111.04427	0.9
111.08035	0.4
111.11697	0.5
117.04157	0.2
121.02825	0.4
121.10145	1.2
123.04423	0.5
123.08057	0.2
123.11713	0.6
125.02357	0.3
125.05987	0.5
131.56772	0.2
133.06514	0.4
133.08633	0.2
135.11688	0.8
137.06009	1.3
137.13245	0.4
139.03915	1.0
141.05464	4.5
148.51054	0.2
149.13211	0.6
151.07558	1.0
153.01840	6.6
153.05467	11.0
155.03358	0.4
161.06006	0.4
163.03876	0.3
163.07593	0.4
163.14806	0.3
163.41345	0.2
165.01979	0.3
165.05530	0.5
167.03406	100.0
168.03770	1.2
169.04984	2.5
176.51387	0.2
177.05460	1.0
179.07072	2.0
181.05005	1.2
185.04460	0.7
189.25626	0.2
191.07025	0.9
193.08684	0.3
195.06505	2.7
195.12224	0.3
205.08600	0.6
207.10176	1.2
209.08081	0.8
219.10231	0.4
219.21112	0.9
237.22148	0.5
359.25714	1.3
377.26877	21.6
378.27258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01872	0.4
55.05511	2.4
57.03412	0.4
57.07080	18.9
60.41921	0.3
65.03945	0.7
67.05510	7.9
69.03420	0.5
69.07070	1.3
69.19085	0.4
71.08636	19.2
77.03950	0.4
79.05499	4.1
81.07060	11.6
83.01352	0.9
83.04969	1.1
83.08634	0.6
85.06563	0.5
91.05482	1.0
93.07061	2.6
95.04982	0.7
95.08595	2.8
97.02892	1.4
97.06547	1.3
97.10181	0.8
106.73661	0.4
107.04945	1.1
107.08595	1.6
109.06523	1.7
109.10165	1.2
111.04420	0.7
119.08615	0.5
121.10149	3.6
123.11723	3.3
125.05972	1.4
135.04337	0.5
135.06622	0.4
135.08066	0.4
135.11708	1.3
137.06000	8.0
137.13216	0.4
141.12755	16.7
142.13063	0.5
146.84909	0.4
151.07526	0.6
153.05478	0.8
155.07037	56.0
156.07381	1.1
167.07079	0.7
177.16411	3.5
179.03377	0.6
179.17946	0.8
181.04970	100.0
182.05357	1.3
187.14873	0.9
191.07007	0.5
195.17450	0.8
205.15910	0.4
219.10220	1.6
223.16872	0.8
237.11250	8.8
239.67865	0.4
247.09735	0.5
295.19000	0.8
320.40033	0.4
359.22061	1.4
377.23203	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	377.269
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
52.74868	0.4
53.03951	0.4
55.01881	2.2
55.05513	3.6
57.07068	1.7
65.03941	0.4
67.05517	4.4
68.99785	2.7
69.07078	3.4
71.08620	0.6
71.23721	0.8
76.56921	0.5
79.05489	1.8
81.07062	3.1
83.04958	0.5
83.08631	2.2
85.10187	0.6
89.02338	0.4
89.06042	1.1
91.05484	1.1
93.07050	2.0
95.04959	1.8
95.08620	2.6
97.06532	0.8
97.10197	2.2
98.20963	0.7
107.04964	0.8
107.08599	1.3
109.06494	0.7
109.10156	0.6
111.04437	0.8
111.08092	0.5
111.11732	0.7
119.04916	0.7
120.27870	0.5
121.10145	1.9
123.04445	5.9
123.11749	0.6
124.01535	1.2
127.03860	0.6
133.06490	0.7
135.11670	1.4
137.02342	0.6
137.06003	1.7
139.03912	3.6
141.05482	6.7
147.04439	0.6
151.07523	2.5
152.01057	1.9
153.05475	29.8
163.03859	0.9
163.07561	0.8
164.04611	0.7
165.05466	0.7
167.03413	100.0
167.07072	1.9
168.03763	1.0
169.05014	2.4
170.02135	3.1
177.05490	2.4
179.07050	6.0
181.05016	0.7
191.07007	0.7
195.06543	4.4
195.12312	0.6
205.08633	1.4
207.10246	2.1
219.20985	1.0
237.22099	0.7
247.64545	0.4
359.25714	1.4
361.14761	1.5
362.15436	1.4
377.17847	10.7
377.26868	28.8
378.18237	0.7
378.27121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83287	3.5
55.01859	5.3
55.05516	31.4
57.03428	14.0
57.07076	8.2
65.03953	5.4
67.05509	96.3
69.03440	9.9
69.07066	23.9
69.79610	9.0
69.80021	17.8
79.05495	38.5
81.07058	100.0
83.01344	9.5
83.04984	10.0
83.08597	10.4
91.05479	20.5
92.05820	6.0
93.07057	35.5
94.07359	6.5
95.05007	5.7
95.08044	7.6
95.08611	89.6
97.06538	16.5
97.10151	6.6
98.21432	4.0
99.08081	5.6
105.07018	19.2
107.04935	5.2
107.08597	29.5
109.06540	10.5
109.10158	40.2
111.04462	9.0
111.08046	5.7
117.06990	6.2
119.08582	14.4
121.10144	19.7
123.08081	4.9
123.11698	20.0
125.02312	14.0
125.06055	9.9
127.03937	11.3
128.04247	7.0
129.04410	4.7
129.06972	3.9
131.08578	10.3
131.38950	4.8
133.10120	10.5
135.08101	4.0
135.11687	11.0
137.05981	5.8
137.13274	8.8
141.05461	16.6
143.08542	5.5
145.10132	6.8
147.08044	4.1
147.11652	8.4
149.09654	8.9
149.13258	8.5
153.01822	15.9
153.05481	29.1
154.02185	14.6
155.02281	9.6
155.07030	8.1
159.11662	11.2
160.12036	7.7
160.14656	4.0
161.13289	5.5
163.14790	5.1
164.04024	4.3
165.12724	3.9
169.10097	4.1
175.11258	4.2
177.12764	8.8
181.04958	12.6
182.05293	9.4
183.05528	6.0
187.14708	5.0
195.10182	5.9
209.11754	10.6
222.15871	4.1
223.13347	16.6
237.14844	19.2
250.19002	4.5
251.16476	15.0
263.16342	6.8
265.17990	12.9
277.17938	6.8
279.19614	5.6
289.18158	4.6
303.19534	12.8
359.25833	36.8
377.22885	6.1
377.27386	7.3
377.31970	10.7
377.36865	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	377.2323
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
55.05507	3.3
57.03418	2.8
57.07080	19.7
67.05517	15.5
69.07061	5.3
69.39137	2.8
70.75704	6.1
70.76108	5.2
71.42066	2.6
79.05493	28.4
81.07078	14.9
85.10186	56.5
91.05464	4.9
93.07040	16.9
93.13847	2.5
95.04965	4.5
95.08613	14.7
97.10150	3.1
98.20994	3.9
107.08589	9.2
109.06506	3.5
109.10168	4.0
110.82490	3.0
111.08067	6.6
113.08871	4.6
113.09653	85.9
121.10143	7.3
123.04443	8.3
125.15340	2.8
129.57401	2.9
137.05983	4.8
138.03136	4.0
140.04691	2.9
141.12717	3.8
153.05482	3.3
154.05783	3.8
155.07047	100.0
155.10648	26.7
166.27464	2.6
167.03444	9.3
167.07158	3.9
168.03719	8.5
169.03926	4.5
170.42732	2.9
179.92067	2.8
181.04979	59.9
184.03548	3.4
190.64684	3.2
195.17464	75.8
223.16910	18.1
231.10092	7.8
356.77161	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2322
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
54.22591	3.9
55.05510	7.6
65.03934	4.4
67.05510	35.3
69.07072	6.6
69.65891	24.1
71.95195	4.2
79.05496	33.9
81.07044	24.3
91.05498	12.0
93.07032	29.2
95.08605	23.7
97.06526	6.1
98.20913	11.4
98.21484	5.0
105.07044	8.2
107.08595	17.3
109.06505	3.8
109.10152	7.1
119.08540	6.7
121.06563	4.1
121.10144	31.9
125.09627	3.8
131.08521	5.5
133.10118	6.0
135.11656	7.0
137.05954	7.3
137.90762	3.8
145.10114	11.5
155.07007	29.4
161.13263	9.1
163.11127	3.9
163.14839	11.2
166.02640	4.8
167.07021	36.4
177.16327	3.9
181.04964	100.0
187.14816	12.2
189.09561	4.1
193.08812	3.9
205.15833	9.5
209.08202	6.1
221.11746	6.8
243.70979	3.7
267.72888	3.9
275.16467	4.9
333.27698	3.6
341.21164	4.7
359.21948	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	377.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88672	1.9
53.65234	2.0
55.01868	2.5
55.05509	9.4
57.03427	8.5
57.06842	2.4
57.07075	20.7
67.05510	20.7
68.99789	2.3
69.07061	10.4
71.01357	4.0
71.04991	4.0
71.08634	20.7
71.12751	3.1
71.48949	2.0
79.05495	14.5
81.03413	3.3
81.07059	26.6
81.14574	2.2
83.05025	2.3
85.06543	2.7
85.09717	3.0
85.10187	44.8
91.05477	7.8
93.07059	14.5
95.08612	16.2
97.06474	3.1
97.10226	2.7
99.08092	24.5
105.07044	2.5
107.08585	7.1
109.06547	3.1
109.10165	6.9
111.11669	2.0
113.06010	4.6
113.09651	86.7
119.08597	5.3
121.10143	21.2
123.08100	2.7
123.11648	3.3
127.03923	59.1
131.08578	3.4
133.10094	2.3
135.08034	3.0
135.11667	10.3
137.06013	2.5
137.09673	5.1
139.03862	7.6
139.11177	20.9
141.12743	23.6
145.10210	2.9
153.01836	67.5
153.12755	3.5
155.07077	10.2
155.10677	100.0
156.11049	3.3
163.03845	2.6
165.05388	2.9
181.04997	22.4
182.05354	2.5
187.14703	3.1
205.15868	6.9
205.19470	3.7
215.18112	2.5
223.16992	7.8
223.20544	23.2
233.19014	8.8
251.20073	35.8
265.14279	2.8
287.00769	2.4
314.06067	2.3
377.23279	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2323
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
53.44518	0.8
55.05509	2.9
57.07077	29.9
65.79326	0.9
67.05511	8.2
67.92209	0.9
69.07064	3.0
69.71635	4.7
71.08633	27.8
79.05489	2.9
81.07059	11.2
83.01341	2.6
83.04955	1.2
83.08627	1.6
85.06551	1.8
85.10201	3.8
89.06032	8.5
91.05497	1.5
93.07029	2.8
95.04934	1.4
95.08610	3.5
97.10180	1.0
98.20804	1.6
98.21449	1.8
105.07013	1.8
107.08585	3.0
109.06554	1.4
109.10155	2.3
111.04472	1.2
119.08596	1.3
121.10167	2.8
123.04439	3.0
123.08105	1.0
123.11723	3.6
125.06010	1.5
131.08565	0.8
133.08612	4.0
135.11673	1.7
137.05948	2.3
137.13292	1.0
138.03137	3.1
141.12738	20.1
145.10106	0.9
153.05437	1.7
155.07034	68.6
163.11330	0.9
166.02623	4.3
167.03391	1.5
167.07004	1.0
177.05530	1.0
177.16437	3.0
181.04965	100.0
181.50830	0.9
182.05341	0.9
184.03711	3.0
195.12314	4.5
204.02989	0.7
216.65501	0.9
219.10121	2.0
237.11201	10.9
273.15970	0.9
359.22052	1.6
377.23364	4.2
377.30585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01870	0.3
55.05520	3.1
57.07074	1.9
67.01859	0.9
67.05167	0.3
67.05508	5.7
68.99786	0.9
69.03426	0.8
69.06721	0.4
69.07069	5.7
69.65113	1.1
71.04978	0.2
71.08621	0.9
72.70410	0.2
75.70563	0.2
79.05494	4.8
81.03465	0.2
81.07059	4.1
83.01348	0.3
83.04968	0.5
83.08626	3.1
85.10180	0.8
89.06021	0.7
91.05478	0.7
93.07050	5.6
95.00791	0.2
95.04983	0.3
95.08039	0.4
95.08615	4.9
97.02912	0.4
97.06537	2.9
97.10181	1.2
98.21042	0.8
99.08129	0.4
105.07069	0.2
107.08603	3.6
109.10166	4.9
111.00810	0.2
111.08086	0.6
111.11761	0.3
121.10155	6.6
121.11026	0.4
123.04462	0.4
123.11723	1.4
127.03930	7.0
133.08597	0.4
135.11700	3.3
137.13290	0.3
139.03903	0.8
149.13298	1.0
151.03880	0.6
153.01836	100.0
154.02197	1.1
167.03441	0.9
169.04955	2.0
191.17955	3.1
195.02901	0.9
195.12268	0.3
207.21111	0.8
209.18954	0.9
225.22183	4.1
233.18942	0.2
251.20131	0.9
328.88351	0.2
331.22339	0.2
346.08408	0.3
359.22202	1.1
377.23135	3.0
377.26974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2322
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
55.05506	23.8
56.41430	7.7
67.05503	84.5
68.99788	7.7
69.07053	9.7
69.57264	59.4
79.05505	35.3
81.07059	94.3
83.08643	7.9
88.88367	7.3
91.05486	17.0
91.76362	6.8
93.07051	49.0
95.04959	7.3
95.08598	74.1
98.21341	16.7
99.51749	7.9
103.07660	7.8
105.07060	12.4
107.08592	30.1
109.10160	24.9
113.09649	8.0
113.71957	6.9
117.07007	9.7
119.08599	13.9
121.10120	36.9
123.11749	9.1
127.03932	45.5
131.08533	9.5
133.10152	11.3
135.11708	17.7
139.03897	24.4
147.11702	8.5
149.13287	8.8
153.01831	100.0
153.05431	15.2
155.07031	16.8
159.11699	7.4
161.13219	7.8
163.14728	6.7
165.05582	13.5
167.07031	19.6
179.20398	6.6
181.04958	89.1
187.14839	14.4
189.16357	11.9
193.08588	12.0
215.17844	10.9
341.20718	8.1
359.22125	8.6
377.27148	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	377.2322
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
52.35824	2.0
53.00244	1.6
55.05510	3.4
57.03434	1.8
57.07077	15.5
58.40166	1.5
67.05505	14.0
69.07059	5.4
70.76173	3.6
71.01369	2.9
71.08624	4.2
79.05486	19.7
81.07049	13.3
85.10183	51.2
91.05469	3.7
93.07044	13.9
95.04964	5.6
95.08592	12.3
97.06488	2.4
99.08074	5.0
107.08604	8.5
109.06493	3.3
109.10159	3.6
111.08065	5.1
113.09646	100.0
117.07029	2.2
121.10147	7.3
127.03894	6.6
135.08034	2.4
135.11673	3.3
137.05972	15.9
137.09515	1.7
139.11157	2.7
141.12712	3.1
153.01814	5.2
155.07037	84.5
155.10655	33.8
159.11662	2.1
163.14836	2.3
167.07004	3.2
167.72305	1.6
177.16370	3.1
181.04971	58.6
187.14825	2.4
195.17447	78.9
196.17752	2.2
205.15874	6.0
223.16954	26.6
223.20457	2.1
231.10146	5.3
251.20146	2.5
377.23166	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	375.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
61.24160	0.5
67.05505	4.1
67.06096	0.5
67.22945	0.6
69.07065	1.1
70.00349	1.7
70.00750	1.1
79.05478	1.0
81.07040	3.7
82.16750	0.5
83.04966	0.8
83.08604	0.7
93.07030	1.0
95.08601	9.3
95.75037	0.6
98.20888	0.9
98.21397	0.9
105.07033	2.1
107.08598	0.9
109.10156	1.3
121.10061	0.6
123.08074	11.9
123.11708	1.5
135.08044	1.4
135.11662	0.8
151.07545	100.0
152.07893	1.2
155.74962	0.5
165.09087	0.6
191.10699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01857	0.7
55.05512	0.7
57.03439	2.1
61.02920	1.4
64.32603	0.5
67.05508	0.9
69.03431	5.0
69.07057	2.1
69.34322	4.1
71.04996	1.6
73.02913	0.6
79.05477	0.7
81.03434	2.3
81.07054	0.5
82.06590	0.8
85.02432	0.5
85.02913	6.3
91.05511	1.0
93.07013	0.7
94.06567	1.2
95.02434	0.5
95.08599	1.2
96.04500	0.4
96.08116	1.7
97.02906	2.7
97.06527	2.7
97.71664	0.4
97.79223	0.5
98.21371	1.6
99.04422	1.0
107.08617	0.5
108.08128	1.0
109.02895	0.9
109.06530	0.6
109.10151	0.5
110.09702	0.8
113.03480	1.0
120.08123	0.8
122.09658	1.9
123.06798	0.7
123.08076	2.0
124.07600	25.0
126.09155	2.5
127.03945	2.2
136.11230	2.3
137.06000	1.4
138.09146	22.3
140.10713	2.1
145.04924	1.6
150.12787	10.1
151.11092	0.7
152.10677	2.4
153.09114	0.4
160.11255	1.0
161.09653	1.1
169.09618	0.5
172.08742	3.4
178.12279	11.3
179.10687	1.6
180.10185	0.7
196.13371	4.9
198.06685	0.7
214.14392	100.0
215.14688	1.7
216.07698	2.0
243.08789	7.0
260.22345	0.5
275.77936	0.5
376.16248	2.9
376.19687	5.2
377.14563	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	377.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.94024	0.2
65.03934	0.3
67.05499	0.3
69.03420	0.6
69.08244	0.2
69.81571	1.3
70.06582	0.4
73.06563	0.3
77.62405	0.2
79.05485	0.7
81.03422	0.3
81.07041	0.3
83.04975	0.4
85.02907	0.3
85.06545	0.6
90.77174	0.2
91.05475	1.5
93.07032	0.6
95.04984	0.4
95.50366	0.2
97.06562	0.3
97.41787	0.2
98.20940	0.5
98.21487	0.3
99.04458	0.3
102.83211	0.2
103.05436	0.3
103.95136	0.3
105.07026	0.8
109.02864	0.4
115.05438	1.3
116.06276	0.3
116.07086	0.4
117.07018	4.5
119.04952	0.6
119.08578	0.7
121.06527	1.2
121.10171	0.2
123.08054	0.8
127.03917	0.3
128.06221	2.5
129.06979	0.3
131.04942	0.7
131.08571	0.7
133.06479	0.7
134.07312	0.5
135.08055	0.8
135.96764	0.2
137.05992	4.7
143.08565	2.9
144.05698	0.3
145.06482	1.8
146.07286	0.3
147.08041	0.8
149.05959	0.3
149.09613	0.4
151.07539	4.0
153.01851	0.4
159.08051	0.6
160.05202	0.3
161.06018	0.5
161.09656	0.3
162.06761	4.0
163.07587	1.5
165.09096	1.0
167.07054	0.3
171.08054	1.8
173.09552	0.4
174.06650	0.2
174.57887	0.3
175.07553	5.5
177.09109	100.0
177.69693	0.3
178.09575	2.1
179.10596	0.3
181.06543	0.3
183.22005	0.3
188.08293	0.4
193.08601	0.8
195.10210	1.2
203.10675	3.0
209.11787	0.5
221.11740	4.5
222.12521	3.8
253.08932	0.4
258.08749	0.3
288.10074	0.3
302.11395	1.1
303.12115	0.3
313.06680	0.2
313.11075	0.5
359.11591	3.8
377.12601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03943	2.5
54.96130	0.6
55.01876	0.7
55.05495	1.1
57.03186	0.7
57.03439	8.8
59.05001	1.2
60.15639	0.6
61.02924	3.3
65.55030	0.7
65.80809	0.6
67.05513	1.0
69.03432	14.6
70.82634	1.4
70.82978	0.9
71.01353	2.0
71.04995	3.8
72.76861	0.6
73.02903	1.9
73.06552	0.8
75.04486	2.3
81.03417	5.0
81.07060	0.7
85.02886	1.7
88.69701	0.6
91.05546	0.7
93.07060	1.1
97.06541	1.1
99.04462	4.7
105.07085	1.2
106.34126	0.6
109.02912	1.1
117.05485	1.0
124.07592	3.8
125.07941	2.2
126.09173	1.0
127.03934	1.4
133.01227	0.6
137.05975	2.5
138.09154	2.1
139.09477	2.3
145.07579	1.9
149.44620	0.7
156.06902	0.7
169.09740	4.0
170.07036	1.0
172.08707	32.1
175.61185	0.7
179.10852	0.7
179.12614	1.3
187.10808	1.8
190.09732	1.6
198.06627	6.6
200.08212	5.0
200.48129	0.7
214.09787	1.2
214.14371	8.2
215.14742	14.7
216.07671	17.5
218.09193	1.1
243.08783	72.9
244.09251	0.9
274.17444	0.7
359.13467	2.8
377.14548	100.0
378.14832	3.1
386.33945	0.8
388.55557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	3.4
55.05506	6.6
57.03422	4.2
65.03953	3.2
67.05508	29.4
68.95718	1.3
69.03426	1.6
69.07069	7.3
69.78856	4.5
69.79271	3.8
71.04992	5.1
79.05491	25.3
81.07062	49.3
83.01358	2.4
83.04976	2.7
83.08625	3.1
91.05481	11.8
93.07046	24.8
93.79100	1.6
95.04939	1.9
95.08606	32.0
97.06523	4.6
99.08100	10.5
105.07024	11.0
107.04956	2.5
107.08607	15.8
109.06491	2.4
109.10151	11.6
111.08107	2.7
117.07017	4.3
119.08564	5.7
121.10155	22.8
123.08051	2.0
123.11700	2.0
125.06020	2.5
125.09630	3.0
127.03968	9.5
131.08566	5.9
133.10132	6.6
135.04430	2.3
135.08051	4.0
135.11702	3.6
137.05989	6.9
137.09561	2.6
139.03912	4.2
139.11206	7.1
145.10115	7.1
147.11684	4.6
147.63007	1.5
149.09595	1.5
149.13266	3.1
153.01842	12.4
153.05489	2.8
155.07042	38.6
159.11745	2.4
161.13258	6.5
163.14812	8.2
165.05501	1.8
165.12743	1.5
167.07051	18.7
175.07584	1.9
177.16357	1.8
181.04970	100.0
187.14848	14.7
191.07028	4.4
191.14175	1.5
193.08614	3.7
205.15843	8.5
205.66400	1.5
209.08124	4.4
215.17842	1.5
223.09645	2.3
223.16957	6.6
238.48230	1.6
250.02510	1.5
251.20120	2.2
269.68042	1.4
275.01196	1.3
341.20978	1.9
359.22211	4.2
377.23175	5.9
377.27271	3.5
377.31631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2531
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
53.03949	0.8
55.01879	2.4
55.05514	6.2
57.07069	2.0
62.21887	0.4
65.03935	1.5
67.05506	17.0
68.99779	3.3
69.07068	8.6
70.29574	1.9
71.04967	0.5
73.00882	0.4
79.05497	6.4
81.03426	1.0
81.07060	16.1
82.10308	0.5
83.04981	0.6
83.08611	3.8
91.05476	4.2
93.07047	6.0
95.04988	2.5
95.08612	16.2
97.02866	0.5
97.06511	1.3
97.10171	2.0
98.20893	0.6
98.21416	0.9
99.08059	0.8
105.07043	2.6
107.04933	0.9
107.08610	3.0
109.06549	0.5
109.10161	6.3
111.04447	1.2
111.08070	0.8
111.11756	0.7
116.14146	0.5
119.04938	1.3
119.08578	2.0
121.10167	3.2
123.04427	7.1
123.08076	0.5
123.11715	2.2
124.01573	2.1
125.06079	0.6
133.06410	0.6
133.10133	2.1
134.94292	0.5
135.11697	1.5
137.05981	2.3
137.13246	1.0
139.03906	3.5
141.05460	8.0
147.04446	1.0
147.11678	1.5
149.06076	0.5
149.13347	0.7
151.07564	3.3
151.14798	2.3
152.01051	2.5
153.05470	41.6
154.05832	0.8
161.05937	0.5
161.13185	1.1
162.03194	0.6
163.03850	0.8
163.07541	0.6
165.05472	1.5
167.03407	100.0
167.06992	3.6
168.03793	1.6
169.04973	2.5
170.02130	2.4
177.05510	3.1
179.07034	9.6
191.07036	1.5
191.17967	3.4
193.08582	0.8
193.19797	0.5
195.06529	9.0
205.08604	1.7
207.10187	7.9
209.08116	1.2
217.08632	1.1
217.19492	4.2
219.10136	0.8
221.11751	1.3
223.09590	1.0
231.10168	0.6
235.20595	1.9
260.69818	0.7
277.17938	0.6
291.19458	0.9
357.24179	3.5
362.75000	0.6
375.25333	11.9
375.32373	0.8
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	Manglieside C
Peak:m/z	Relative Intensity
53.03946	3.8
55.01875	8.8
55.05514	22.3
57.03443	10.0
57.07071	3.9
59.04993	4.6
60.41104	1.7
61.02932	11.1
67.05507	11.3
69.03427	33.0
69.07072	49.6
69.26435	10.9
69.26842	3.2
71.05000	11.3
71.08651	2.6
73.02908	5.1
79.05484	6.0
81.03446	12.5
81.07062	31.2
82.56583	1.5
83.04988	10.6
83.08620	10.5
85.02910	87.4
85.06551	25.3
87.04471	6.8
91.03969	3.5
91.05467	1.8
93.07051	15.1
95.08044	3.1
95.08617	44.0
97.02892	27.7
97.06535	5.8
97.10181	14.0
98.20908	6.5
99.04469	7.4
99.08104	26.0
100.30331	1.6
105.07055	3.1
107.08600	29.5
109.02888	9.9
109.10157	14.8
111.08087	5.0
111.11725	9.3
113.09628	12.3
121.10155	39.4
123.11718	12.7
125.09649	10.0
125.13258	2.1
127.03933	19.4
135.11702	22.2
137.13248	25.3
139.11226	7.9
143.08574	2.0
145.04965	14.7
149.13246	4.4
151.14786	4.7
153.11604	1.7
153.12750	10.9
163.11150	2.0
177.16399	100.0
195.17455	41.5
213.18509	48.7
214.18683	2.2
375.14020	2.6
375.23810	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	375.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01858	1.9
55.05516	7.6
57.07066	1.6
65.03941	1.2
67.05503	18.0
68.05830	0.9
68.99792	3.3
69.06770	0.6
69.07069	6.6
69.22952	6.0
71.08617	0.7
79.05501	7.3
81.03416	0.9
81.07059	17.4
82.85990	0.5
83.08625	4.7
91.05506	3.3
93.07047	7.2
95.04962	2.7
95.08613	16.5
97.02885	0.7
97.06541	1.5
97.10165	1.3
98.21131	2.8
99.08081	0.6
105.07024	2.3
107.04952	0.9
107.08594	4.0
109.06522	0.9
109.10160	6.3
111.04430	1.5
111.11726	0.9
119.04920	1.1
119.08578	2.1
121.06499	0.5
121.10148	2.7
123.04425	7.0
123.08042	0.6
123.11672	2.4
124.01570	2.1
133.10143	2.9
133.62527	0.5
135.11693	2.7
137.02350	0.7
137.05975	3.4
137.13322	1.3
139.03915	4.0
141.05467	11.3
147.04427	1.3
147.11716	1.3
151.03998	0.9
151.07553	3.6
151.14856	2.4
152.01088	2.3
153.01949	1.3
153.05475	43.1
161.13254	1.3
164.04657	0.6
165.05470	1.3
167.03407	100.0
167.07059	5.1
168.03757	1.3
169.04979	3.7
170.02103	2.4
175.14799	0.9
177.05479	3.1
179.07036	10.9
183.06493	0.7
191.07043	0.9
191.17990	4.5
195.06549	10.1
196.06898	0.6
203.07034	0.7
205.08653	2.1
207.10164	8.1
209.08156	1.5
209.18935	0.7
217.08627	1.6
217.19511	4.4
219.10132	1.3
221.11717	1.2
223.09732	0.7
235.20596	2.4
249.14682	0.7
249.63966	0.5
277.17999	0.7
291.19302	1.2
357.24219	3.8
375.25333	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	375.253
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
50.00298	2.3
51.93432	1.8
55.01870	4.3
55.05513	19.5
57.07077	3.8
63.47845	2.0
65.03947	2.0
67.05503	35.0
69.07073	21.6
76.19740	1.9
79.05487	15.5
80.79685	2.1
81.07059	62.2
83.01346	24.5
83.04974	7.6
83.08624	11.1
91.05471	11.2
93.07066	12.1
95.04952	2.4
95.08603	36.2
97.06522	5.7
97.10180	2.7
98.21262	10.7
105.07035	10.6
107.08598	10.0
109.06506	12.2
109.10158	17.9
111.04426	4.1
116.90655	2.1
117.06994	2.8
119.08587	6.8
121.06492	4.9
121.10157	4.1
123.08072	8.7
123.11719	5.3
125.05177	2.0
125.05955	11.4
127.07556	26.6
131.08571	4.2
133.10112	7.4
135.08020	4.2
137.06010	2.1
137.09680	3.0
139.07585	10.4
147.08046	3.9
149.05980	8.5
149.09604	3.3
151.07556	24.6
152.04688	6.6
153.05499	8.5
159.08060	2.3
161.09627	1.9
163.07536	8.8
163.14830	8.7
165.09128	8.8
165.16412	5.6
167.07095	11.4
169.08609	77.7
175.07574	2.8
177.05505	7.6
177.09099	4.9
178.12796	1.8
179.06963	2.5
181.08601	19.7
187.11142	2.1
189.09120	3.4
189.16391	8.1
191.07022	5.6
192.07796	3.1
193.08585	6.1
195.06529	100.0
195.10172	7.0
196.07001	2.9
205.08620	5.7
207.10197	8.9
207.17429	2.1
208.07227	3.0
211.09702	14.9
213.07594	36.8
223.09653	44.2
223.11646	3.6
231.17509	2.7
233.11649	2.7
235.13257	2.4
237.11267	2.5
245.11729	5.9
248.95108	2.3
251.12625	2.1
259.13397	3.2
291.15927	2.6
333.27933	2.7
336.28143	2.4
339.23206	3.4
350.20151	2.3
357.24240	42.2
358.24686	2.6
375.25290	96.6
376.25818	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	375.2165
Annotation	Durumolide B
Peak:m/z	Relative Intensity
53.03931	2.7
55.01870	2.9
55.05513	7.7
56.51736	1.9
57.03184	3.9
57.03440	45.5
63.47075	2.0
65.03945	2.4
65.71156	2.0
67.01872	3.0
67.05503	25.2
68.99774	3.1
69.03432	3.6
69.07071	6.3
75.67997	1.9
79.05494	39.6
81.07058	35.6
83.08619	5.4
85.06558	6.4
91.05485	28.1
93.07044	35.4
94.82584	1.9
95.04957	3.4
95.08600	31.5
97.02858	2.5
97.06525	7.2
98.20689	3.6
98.21378	10.5
99.08084	11.4
103.73372	2.0
105.07045	23.7
107.04963	4.7
107.08605	18.1
109.02829	2.3
109.06536	15.4
109.10159	9.1
111.08099	6.9
112.85702	2.4
113.06157	2.6
117.07027	12.8
119.08596	20.4
121.06557	3.7
121.10136	9.9
121.68505	1.9
123.04473	3.7
123.08089	7.3
123.11715	2.2
125.09612	4.2
127.03908	39.1
127.07592	3.7
129.07002	5.6
129.71674	2.6
131.08582	21.3
133.10127	17.0
135.08066	6.5
135.11703	8.0
137.05980	6.7
137.09615	9.6
139.03897	26.7
142.69717	2.2
143.08656	3.2
145.10120	6.5
147.07918	3.1
147.11688	20.9
149.09657	8.6
149.13255	5.3
151.11180	2.2
153.01831	100.0
153.05476	2.4
155.07030	18.1
157.10184	5.7
159.11684	34.3
161.13283	4.1
163.03938	6.3
165.05441	4.5
165.12796	4.1
167.07069	5.1
167.10464	2.3
171.11732	4.8
173.13179	5.4
175.14832	14.9
177.12749	12.6
181.04967	40.7
185.13272	7.0
187.14839	4.4
189.16409	5.6
191.07036	6.1
193.08598	4.4
193.15887	5.7
195.06456	2.4
203.06970	4.5
203.14328	5.2
203.17902	3.1
213.16359	13.5
221.15450	5.2
231.17442	10.9
249.18512	15.1
313.32874	2.4
357.20560	5.2
375.21655	6.2
375.36746	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	375.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01875	2.3
55.05505	3.7
57.03438	25.6
57.07071	2.1
58.02607	0.9
59.04985	1.2
65.03954	1.1
67.05507	15.9
69.07069	2.7
69.89204	5.0
70.06579	1.8
71.04988	1.6
79.05052	1.5
79.05494	21.8
81.03374	1.1
81.07061	18.9
83.01344	6.0
83.04976	5.9
83.08625	1.2
85.06538	4.4
88.07639	2.3
91.05479	25.3
93.07048	11.8
95.04968	3.8
95.08619	9.4
97.06530	3.3
98.20795	1.3
98.21363	2.1
99.08099	2.8
102.09165	1.2
105.07029	23.3
107.04958	4.0
107.08584	15.7
109.06528	10.8
109.10132	4.7
111.08053	2.5
113.05988	2.1
117.07026	3.4
119.08580	21.7
119.87403	1.1
121.06490	1.6
121.10156	7.2
123.04432	3.7
123.08083	3.8
123.11709	1.2
125.05984	2.7
125.09596	1.5
127.07583	1.1
129.06985	5.3
131.08569	32.6
133.06471	1.8
133.10129	3.2
135.08047	2.0
137.05995	5.9
137.09636	11.8
138.03140	3.7
142.89220	1.1
143.08594	5.4
145.10135	2.9
147.08092	2.4
147.11688	21.9
147.12793	1.9
149.09622	19.2
151.07584	4.5
153.05507	2.3
155.07034	47.4
157.10135	2.6
157.35454	0.9
159.11728	3.2
161.09605	1.2
161.13226	4.5
165.05409	1.4
165.09047	1.7
165.12744	10.4
166.02660	5.1
167.03429	1.5
167.07050	21.3
167.08417	1.7
169.08617	6.5
175.07587	1.1
175.14883	6.6
181.04962	100.0
181.08441	2.0
183.06390	1.1
184.03651	6.4
185.13280	12.6
191.07024	6.3
191.08540	1.1
193.08636	3.5
203.14328	13.5
209.08096	3.7
216.07895	1.1
217.08725	1.5
219.10210	1.7
221.11812	2.1
221.15375	13.1
231.10097	3.6
285.14673	1.2
301.82138	1.0
312.62115	1.1
313.32904	2.7
357.20575	3.0
374.36197	1.5
375.21451	7.2
375.25656	1.1
375.29468	1.1
375.36649	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	375.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01873	6.7
55.05516	18.4
57.07065	6.6
65.03935	6.2
67.05509	70.7
69.03419	3.0
69.07079	16.7
69.55994	4.2
69.56401	10.5
79.05499	30.5
81.03428	3.2
81.07066	56.3
83.01344	8.7
83.04988	6.2
83.08611	8.0
91.05479	23.8
93.03405	2.6
93.07047	33.3
95.04975	9.6
95.08613	55.2
95.09222	2.7
97.06535	6.8
97.10210	2.3
97.77528	2.2
98.21023	7.7
105.07046	21.5
107.04945	4.9
107.08605	14.6
109.02886	4.4
109.06530	3.4
109.10150	20.6
111.04430	5.4
117.07045	7.6
119.04917	3.3
119.08568	20.4
121.06496	5.1
121.10173	18.1
123.04430	7.2
123.11671	9.9
125.05999	6.6
129.07062	2.4
131.08578	7.8
133.10146	13.2
135.08073	3.7
135.11703	3.8
137.02353	4.2
137.05988	10.3
137.09691	2.1
139.03937	4.4
139.07516	2.3
141.05472	35.9
143.08553	5.5
145.10184	4.5
147.08086	3.6
147.11714	3.2
149.09665	2.4
151.07558	6.4
153.01862	3.9
153.05475	67.8
155.07047	2.8
159.08099	3.8
159.11696	4.6
161.06058	2.7
161.09575	2.5
161.13289	19.9
163.07558	2.9
163.14838	14.6
165.05501	6.0
167.03415	100.0
167.07092	11.5
169.05020	2.7
170.02266	2.2
171.06548	4.1
171.11748	2.2
175.07642	2.4
175.14830	2.4
177.05492	6.4
177.16464	2.5
179.03442	8.1
179.07028	19.2
181.04997	26.8
181.08516	3.1
185.13300	6.7
187.14827	5.9
189.05444	2.3
191.07024	8.5
191.17947	4.7
193.04929	3.1
193.08553	5.2
194.05743	3.6
195.06566	10.2
197.04536	6.7
203.14311	8.0
205.08620	4.6
205.15886	2.6
207.06474	7.4
207.10138	14.5
209.08142	3.5
209.19125	4.0
211.11089	2.5
214.99898	2.1
217.08621	8.1
217.12241	3.0
217.19556	4.6
219.10046	4.4
231.10141	3.6
235.20653	3.4
237.07578	2.2
241.15742	2.5
255.17641	3.1
273.18594	2.9
283.17004	2.5
291.19531	7.8
294.95801	2.6
297.18338	3.2
311.19775	2.8
315.19534	3.6
321.18359	4.1
329.21136	3.0
339.19644	11.2
357.20566	19.2
357.24377	7.1
372.22290	2.1
375.21579	3.7
375.25339	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	375.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01873	0.5
55.05305	0.3
55.05519	3.1
57.03428	0.6
57.07066	1.0
65.03925	0.5
67.01861	1.2
67.05508	15.7
68.99787	1.4
69.03422	1.0
69.07076	2.7
69.66887	1.6
71.04986	0.4
71.08635	0.4
73.24239	0.3
79.05495	5.0
80.18961	0.2
81.03413	0.5
81.07059	15.8
82.07346	0.3
83.01318	0.3
83.04985	0.8
83.08629	1.3
85.06551	0.8
91.05479	4.3
93.07043	3.9
95.04996	0.7
95.08618	6.5
97.02899	0.7
97.06523	1.7
97.10162	0.6
98.20802	0.5
99.08071	0.5
105.07029	2.5
107.08592	3.2
109.06554	0.5
109.10164	3.6
109.31313	0.3
111.00803	0.3
111.04426	0.2
111.08130	0.3
117.06993	0.3
119.08587	3.5
121.06518	0.3
121.10140	2.3
123.04451	0.8
123.08065	0.4
123.11718	3.9
125.05959	0.3
125.09659	0.3
127.03922	6.3
131.08585	0.4
133.10147	2.8
135.11699	1.4
137.09595	0.5
137.13243	0.6
139.03912	1.3
139.11115	0.3
141.05437	0.7
141.12859	0.3
145.10127	0.5
147.07997	0.4
147.11688	1.5
149.13257	1.0
151.03938	0.7
151.07504	0.4
151.11154	0.5
153.01834	100.0
153.05240	2.3
154.02159	1.1
161.13306	0.9
163.03944	0.5
163.14796	0.3
167.03397	5.8
167.04724	0.4
167.07011	0.4
169.04976	1.5
173.13249	0.4
177.05527	0.5
179.03432	0.4
179.07047	0.7
187.14764	0.4
189.16386	3.3
191.17909	0.5
192.04170	0.5
195.02863	0.6
195.06520	0.7
203.07089	0.5
205.04967	2.5
205.08553	0.3
205.19443	2.0
207.10161	0.4
207.17499	0.6
213.16525	0.3
223.20634	0.6
231.06520	1.8
231.17465	0.6
249.18530	1.4
304.23322	0.3
315.19452	0.3
339.19232	0.3
345.81198	0.2
357.20596	8.0
357.24390	0.4
375.21066	1.4
375.25299	1.1
387.88794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01875	52.6
55.05514	26.4
57.07077	7.5
57.15112	3.0
67.01904	3.3
67.05511	45.7
68.99777	6.4
69.03461	4.4
69.06715	6.1
69.07072	79.7
69.66569	20.6
70.62470	3.3
79.05500	32.1
81.03432	3.3
81.07066	34.2
83.04980	8.7
83.08626	33.6
84.40752	2.8
91.05483	37.0
93.07056	25.8
95.04973	8.3
95.08607	32.6
97.06538	95.0
98.21343	6.3
99.08094	4.7
102.09198	3.4
105.07041	31.2
107.04969	6.0
107.08606	21.5
109.06544	25.3
109.10160	12.8
111.08068	16.8
115.07587	4.3
118.47890	3.2
119.08578	19.0
121.10146	8.6
121.90822	3.3
123.04432	3.7
123.08068	30.9
125.09620	10.1
127.03913	59.8
129.07018	3.6
131.08595	5.9
133.10153	29.4
135.08040	7.5
135.11726	29.9
137.05984	24.8
137.09619	30.1
139.03883	17.4
139.11174	6.3
143.08539	6.0
145.10272	4.1
147.08093	4.6
147.11703	11.1
148.87971	3.5
149.09645	4.2
149.13200	3.2
151.07515	16.2
151.11179	11.8
153.01837	100.0
153.05458	10.9
153.12755	6.2
155.07039	47.3
159.11705	4.0
160.14801	3.1
161.09642	6.8
161.13324	8.6
163.03940	5.1
165.12846	4.5
167.03426	9.7
167.07019	3.8
171.11722	3.3
175.14952	6.9
181.04977	74.6
185.13280	8.7
189.16330	8.0
191.07118	4.3
193.15909	4.5
202.74149	3.5
203.14346	9.4
203.18018	4.4
221.15314	26.9
221.18938	5.6
231.10187	4.0
231.17342	6.4
240.56932	3.3
249.18475	34.0
313.32846	5.8
364.65985	3.3
375.21494	14.3
375.36633	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	375.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01865	2.3
55.05515	5.8
57.03440	13.6
57.07078	1.1
61.65460	0.9
65.03942	1.2
67.05170	1.5
67.05511	20.5
68.99793	6.8
69.03434	2.0
69.07083	4.4
69.87368	4.7
71.04993	1.7
79.05499	14.7
80.19440	0.9
81.03421	2.5
81.07063	28.1
83.04987	2.1
83.08615	1.9
85.06541	3.7
91.05486	15.3
93.07050	19.7
95.04984	5.2
95.08043	1.5
95.08616	20.3
97.06535	3.9
97.10172	1.0
98.21039	2.6
99.04484	1.3
99.08082	3.1
105.07048	10.3
107.04974	2.0
107.08607	11.2
109.02938	2.1
109.06528	4.6
109.10165	9.9
111.00799	11.2
111.04411	1.0
111.08086	2.6
117.07021	6.3
119.08597	11.2
121.10156	7.2
123.04436	1.4
123.08088	2.2
123.11706	1.3
125.09651	1.6
127.03930	100.0
127.87104	0.9
128.04219	0.9
129.07028	2.7
131.08565	8.2
133.06473	1.3
133.10149	10.6
135.08044	2.0
135.11711	5.5
137.05968	1.1
137.09621	2.4
139.03909	3.3
143.08563	3.3
145.10184	4.3
147.08055	1.8
147.11711	9.5
149.09618	1.3
149.13228	4.7
151.03935	1.0
153.01845	3.6
153.05400	1.1
153.09140	1.0
155.07056	1.3
157.10161	5.0
159.11705	13.0
161.09651	2.1
161.13293	1.3
163.14876	1.1
167.03445	2.9
167.07033	2.3
169.04968	2.0
171.11710	2.1
173.13272	3.4
175.11166	1.5
175.14853	11.4
177.12767	3.3
179.07120	1.2
181.04962	9.8
185.13329	1.1
187.14903	1.2
189.16396	2.8
191.06973	2.0
193.08644	1.3
193.15883	3.4
203.07079	0.9
203.14182	1.1
203.18013	2.4
205.08687	1.1
207.06561	2.0
213.16422	7.1
231.10123	1.9
231.17477	4.9
233.08051	1.6
249.18520	2.6
259.09604	2.6
266.09653	0.9
273.11322	1.1
273.14862	3.5
301.18002	1.6
303.94745	0.9
315.16019	8.2
319.18958	4.1
356.28119	1.0
357.20572	3.7
375.17725	1.7
375.21686	3.1
395.24835	0.9
395.37555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
67.05505	1.4
69.47702	6.2
69.48098	1.8
74.79870	1.1
78.04713	1.5
79.05502	2.0
81.07048	2.2
91.05485	2.8
93.07041	2.3
95.08584	1.7
98.20903	2.8
98.21482	1.5
99.49292	1.0
103.05494	1.2
104.58704	0.9
105.07037	11.0
107.04940	1.1
107.08602	1.3
109.10158	1.8
115.05452	3.8
117.07002	3.2
119.04936	2.0
119.08583	2.0
121.06524	2.4
123.04417	1.5
123.08060	3.1
128.06180	0.9
132.05626	1.0
133.06488	8.6
135.08047	2.2
135.11699	1.4
137.06003	1.3
143.05994	1.6
145.06546	1.2
151.07550	10.5
161.05994	7.8
162.06740	2.4
163.07504	1.4
167.07030	13.9
168.09491	0.9
171.08090	1.2
175.07545	3.3
177.09111	100.0
178.09431	1.8
193.08609	39.5
195.10194	8.5
195.16605	1.1
203.10680	1.6
218.14845	0.9
221.11668	4.5
290.42987	1.0
393.20718	1.0
396.46103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.0
55.01878	12.8
55.05519	30.5
57.07076	11.4
65.03946	5.9
67.05167	6.4
67.05509	100.0
69.03432	3.7
69.07065	26.8
69.30857	33.5
70.06609	4.9
71.04992	10.6
79.05505	81.6
81.03428	7.2
81.07063	67.1
83.04988	5.7
83.08622	5.5
84.08149	10.7
85.02913	6.7
85.06542	7.8
86.09710	24.4
87.10033	4.7
88.07629	16.5
91.05487	79.5
93.07049	84.9
95.04987	29.8
95.08616	62.0
97.02871	5.6
97.06547	17.6
97.10172	4.7
105.03389	3.9
105.07040	49.2
107.04978	17.9
107.08613	32.7
109.06542	14.3
109.10170	22.5
111.04465	15.1
112.63954	4.0
113.06021	12.9
115.05442	6.4
116.06331	3.6
117.07005	22.7
119.04968	5.8
119.08580	50.2
121.02879	5.5
121.06531	11.3
121.10154	36.3
123.04462	9.6
123.08102	6.5
123.11648	3.9
125.05991	16.5
127.03920	8.5
128.06206	4.3
129.07039	15.1
131.08571	12.6
133.06502	4.0
133.10138	20.3
135.04445	19.3
135.08076	5.9
135.11696	11.9
137.05988	16.3
137.09581	5.2
139.03909	36.0
141.07013	4.0
143.08559	11.2
144.09337	4.3
145.06497	11.4
145.10124	12.2
147.08086	6.8
147.11665	7.2
149.06020	6.9
149.13240	4.9
151.03909	53.9
151.07539	11.0
153.01814	7.6
153.05489	70.8
153.12767	4.4
155.07042	16.1
155.08495	6.9
157.06532	5.3
157.10091	7.5
159.08134	4.5
159.11707	13.1
161.05989	8.9
161.09639	3.5
161.13268	33.0
163.03928	9.2
163.07567	7.9
163.11198	3.9
163.14809	10.1
165.05492	11.6
165.12775	13.1
166.13112	5.4
167.03416	19.2
167.07053	21.0
167.08490	6.6
169.04968	9.0
169.06340	4.4
169.10118	4.3
171.06552	20.1
171.07912	5.2
175.07388	5.4
175.14798	6.1
177.05499	11.2
179.03450	26.8
179.07024	13.0
179.08507	4.5
179.10664	4.5
181.04999	47.1
185.13318	9.9
187.07584	7.2
187.11189	6.1
187.14807	6.4
189.09102	7.0
191.07016	11.6
193.04977	13.6
193.08636	11.2
195.06493	6.9
195.08096	4.6
195.11792	4.8
197.04413	17.7
199.06056	13.0
201.09067	5.6
203.10716	5.8
203.14485	6.8
205.08644	7.9
207.06596	24.9
208.07365	4.4
209.08087	9.1
213.09178	3.9
215.07117	5.9
217.08562	9.0
219.10086	23.2
221.11746	4.3
223.11406	3.6
227.10614	7.3
231.10149	9.0
235.09578	4.4
252.85506	3.8
255.17413	5.9
265.15872	7.0
279.17361	8.0
297.18481	9.3
313.32947	13.9
315.19669	9.1
327.34683	5.7
329.21155	5.2
339.19669	10.9
357.20544	30.4
357.24265	5.0
374.36313	10.1
375.21695	11.3
375.31320	8.2
375.36627	48.0
394.06012	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	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01873	2.2
55.05500	2.8
57.56894	1.2
64.74290	1.3
67.05509	3.1
70.54036	1.4
71.01607	2.8
79.05499	13.1
81.03417	1.6
81.07053	5.9
91.05482	15.0
93.07040	7.4
95.04964	5.6
95.08604	3.0
95.73064	1.4
97.05454	1.3
97.80672	1.2
101.06068	1.5
103.05463	8.2
104.06242	1.6
104.53972	1.2
105.07041	28.3
107.04970	23.7
107.08597	3.9
109.02831	1.4
109.06532	3.2
109.10157	2.0
111.04467	1.4
115.05445	19.4
116.06210	1.7
117.07013	19.6
119.04966	3.6
119.08575	7.6
121.06481	9.5
121.10139	2.7
123.04446	4.0
123.08069	1.9
124.05186	3.8
125.06017	3.1
128.06223	12.6
129.07042	3.8
131.04922	4.3
131.08524	3.6
132.05725	4.1
133.06512	15.6
133.10132	1.9
135.04413	1.5
135.08069	7.3
137.05989	8.9
141.07022	1.7
142.07787	1.9
143.04939	3.4
143.08560	18.4
145.06483	15.5
145.10101	3.1
146.07254	8.5
147.04393	4.3
147.08032	8.1
149.06027	4.1
149.09598	2.8
151.03856	1.5
151.07549	14.2
153.05505	4.0
155.07118	1.8
159.04489	1.3
159.08115	3.8
160.05217	3.6
160.08806	2.0
161.05983	15.0
161.09610	8.3
162.06776	11.5
163.03905	10.8
163.07549	11.2
165.05457	1.5
165.09093	3.2
166.06303	2.3
167.03467	6.9
167.05653	1.6
167.07060	30.5
171.08058	12.8
172.08867	1.8
173.06018	2.0
174.06822	1.6
175.07555	100.0
175.11166	18.1
176.07935	2.0
177.09096	12.7
178.06273	18.4
179.06987	3.2
179.10660	6.1
181.05019	2.2
181.08592	25.7
181.10168	1.6
185.09636	1.6
187.07625	2.8
188.08321	13.6
189.09143	2.4
191.10706	2.4
193.08618	30.5
193.10289	3.0
194.09444	2.7
194.39001	1.4
195.10172	26.5
203.10672	74.8
204.11026	2.6
213.54210	1.5
221.11728	32.5
233.09671	1.7
235.07513	2.4
241.08557	1.5
253.08595	1.7
265.08841	2.4
297.11227	2.4
301.14182	1.4
329.13849	11.2
357.17044	4.6
375.18088	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	375.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01878	1.0
57.03440	1.5
59.04995	1.2
59.82119	0.8
61.02930	1.7
69.03439	4.9
69.81461	5.2
71.48427	0.9
73.02908	1.0
78.03462	1.4
79.05486	2.8
81.03416	3.3
81.07066	1.5
83.04977	1.8
85.02908	10.7
87.02676	0.8
91.05482	10.4
93.07037	5.6
95.02442	1.0
95.04962	1.2
95.08561	1.2
97.02899	3.7
104.76685	0.9
105.07039	9.8
106.02915	5.2
107.03267	2.3
107.08595	14.8
109.02884	3.5
113.03526	4.2
117.07025	0.9
119.08583	25.9
121.10146	7.8
123.08054	3.3
124.03974	8.5
125.04287	3.8
127.03909	2.8
131.08585	10.0
133.06505	1.0
133.10110	2.7
135.08044	3.9
136.07565	1.2
137.05994	0.9
137.09555	1.2
144.45888	0.8
147.08067	8.3
149.09621	11.4
151.11197	1.0
153.99657	0.8
159.08072	2.7
165.09125	10.3
167.07053	1.2
167.10693	3.9
177.09128	9.3
191.06990	1.5
195.10159	13.7
195.11850	1.2
213.11220	100.0
216.03142	1.0
239.06851	1.2
240.76189	1.0
251.07497	2.4
268.08151	1.8
269.08472	4.4
289.08871	2.1
375.12320	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	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01880	2.1
55.05504	3.4
57.03440	1.1
63.45717	0.9
65.03947	1.7
67.05497	3.4
69.03435	1.1
69.07060	2.3
71.04977	1.1
71.56183	1.0
71.56580	1.0
76.42966	0.8
77.03933	0.9
78.04732	1.4
79.05493	12.9
81.07059	7.6
83.04995	1.4
91.04958	1.6
91.05482	19.5
93.03397	1.1
93.07043	9.0
95.04959	5.5
95.08654	4.3
97.02915	1.3
103.05467	8.6
104.06232	1.1
105.04492	1.6
105.07038	29.6
107.04958	23.1
107.05691	0.9
107.08604	4.0
109.06519	2.7
109.10162	3.1
110.03665	1.4
111.04434	1.5
112.03413	0.8
115.05456	15.4
116.06287	1.2
117.07024	18.9
118.04164	1.5
119.04939	5.6
119.08580	6.3
121.06499	7.0
121.10163	2.2
123.04419	3.2
123.08083	2.7
124.05233	2.2
125.05991	2.5
128.06229	14.3
129.07036	4.6
130.07811	1.3
131.04916	4.3
131.08578	3.0
132.05728	3.0
133.06494	16.8
133.10153	2.8
135.08080	6.8
137.05984	9.2
137.09579	1.2
139.07564	0.9
141.05443	2.2
142.07761	2.4
143.04897	5.1
143.05930	1.0
143.08565	16.7
144.05688	1.2
145.06488	14.8
145.10156	5.4
146.07259	7.0
147.04424	3.4
147.08046	7.4
147.11682	1.4
148.05147	2.3
149.05975	3.2
149.09618	2.5
151.03940	1.4
151.07547	12.2
153.05495	6.8
155.07074	1.1
157.06508	2.0
157.10143	2.2
159.04446	1.4
159.08043	2.6
160.05214	5.4
160.08847	4.4
161.05981	15.0
161.09633	8.3
161.13309	1.3
162.06766	11.7
163.03909	10.5
163.07568	10.2
165.09123	3.7
166.06259	1.7
167.03416	8.8
167.07051	30.2
171.08057	14.6
171.11731	1.5
172.08771	1.7
173.06023	2.5
173.09625	1.6
174.06714	1.1
175.07556	100.0
175.11147	15.5
176.07945	1.9
177.09125	13.7
178.06256	20.1
179.07133	1.3
179.08664	1.1
179.10638	5.0
181.04994	1.8
181.08607	24.2
181.10213	1.8
185.09631	1.4
187.07542	2.2
188.08327	12.7
189.09094	3.5
189.12827	1.7
191.10674	3.1
193.08617	29.8
194.09338	1.9
195.10187	21.7
203.10675	74.4
204.10999	1.1
207.10172	2.2
209.09647	0.9
211.07677	1.0
217.12300	2.5
221.05981	1.1
221.11726	36.0
233.09671	1.3
235.07483	1.2
236.08281	1.1
237.09099	1.3
239.10652	1.2
241.08675	1.8
265.08658	2.2
267.10239	1.9
269.08130	0.9
269.11707	1.3
293.11780	1.4
297.11276	2.6
313.10834	1.3
325.14127	1.3
328.12878	1.2
329.13837	9.5
331.15436	1.1
345.17059	1.0
357.16907	3.4
375.14343	1.2
375.18106	16.8
375.25229	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.05506	16.1
59.05000	16.7
59.16666	4.4
69.03441	21.6
69.66023	22.2
71.04993	5.5
81.03407	20.9
83.04976	35.2
85.02899	34.6
85.06550	7.2
97.02902	42.9
98.20969	13.5
99.04466	9.0
101.06026	21.3
101.66103	3.9
107.08581	5.8
109.02882	13.2
113.02371	100.0
113.03188	5.9
113.03522	7.7
121.10150	4.4
127.03904	34.5
127.07574	8.2
135.08037	6.2
137.06013	6.8
145.04979	16.7
149.09642	7.0
156.14832	4.3
159.17271	4.3
177.09091	5.4
187.06044	11.3
213.11263	14.8
227.09166	6.0
231.08670	9.3
245.10329	6.7
247.10309	4.6
316.15115	4.0
329.10181	4.9
375.11884	7.0
375.16061	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	375.165
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
54.67876	0.8
57.03434	1.6
60.15613	0.8
61.02914	2.0
69.03429	5.2
70.07966	1.7
70.08371	2.5
79.05493	2.7
81.03403	2.6
83.04977	2.1
85.02909	12.3
90.97863	0.8
91.05486	12.0
93.07052	5.7
95.08588	1.2
95.89877	0.8
97.02890	3.9
98.21055	2.6
105.07029	10.9
106.02902	2.7
107.03252	1.6
107.08602	14.5
109.02878	2.0
109.06534	1.1
113.03482	4.5
119.08586	27.6
121.06533	1.3
121.10152	7.1
123.08076	2.1
124.03935	3.3
125.04299	3.2
127.03915	3.5
129.06960	0.8
131.08586	9.3
133.06494	1.4
133.10114	3.2
135.08028	2.5
137.05971	1.0
137.09596	2.2
145.04939	1.6
147.08069	10.3
149.09608	10.6
153.05463	0.9
159.08055	2.2
165.09125	12.2
167.06914	1.1
167.10677	5.3
177.09129	8.5
191.07056	0.9
195.10185	14.1
203.64340	0.8
213.11230	100.0
214.11530	2.5
251.07016	0.9
253.27661	1.0
262.09229	0.8
269.08398	2.0
289.09000	2.3
304.70566	0.9
389.91849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85527	1.3
61.02916	1.6
62.23417	1.1
63.86625	1.1
65.92945	1.4
69.03427	4.2
69.28207	11.7
72.08149	2.0
81.03404	2.1
85.02907	9.8
89.06035	57.6
91.05795	1.4
92.81821	1.1
95.01366	1.6
96.04501	3.3
97.02885	5.0
98.20814	3.7
98.21492	3.3
99.04482	1.3
100.82352	1.2
106.02879	1.4
107.07074	4.9
107.36686	1.2
109.02914	2.5
110.68570	1.3
124.03951	9.2
127.03941	6.7
130.06494	1.7
133.08603	18.9
147.45647	1.4
151.09665	2.4
154.08679	2.7
154.83531	1.4
177.11220	4.3
180.06569	2.7
195.12292	100.0
196.12808	1.9
198.07651	5.0
200.09274	1.7
310.80005	1.3
374.14182	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	375.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	0.9
55.05493	0.3
57.03428	0.7
57.72168	0.3
61.02907	0.4
69.03433	3.3
70.25664	0.6
71.04982	0.6
73.02908	0.4
73.06555	0.4
79.05496	0.3
81.03423	3.3
83.01347	0.3
83.04977	0.6
85.02908	5.8
87.00373	0.3
87.00832	1.7
89.41877	0.3
91.05490	1.1
93.07055	1.0
95.04981	0.6
97.02910	2.3
98.20929	0.4
99.04443	1.0
105.01867	1.0
105.07047	1.0
106.02937	0.8
107.03268	0.8
107.08602	2.1
109.02885	2.8
113.02351	0.3
113.03499	0.6
117.01863	0.4
119.08596	3.0
121.10171	0.8
123.04454	0.3
123.08066	0.3
124.03990	1.3
125.04329	0.5
126.44450	0.3
127.03923	100.0
128.04260	0.8
129.01837	0.3
131.08604	1.0
135.08086	0.6
145.04971	1.2
147.08060	0.7
149.09621	1.4
153.01833	0.4
159.02895	1.9
163.03888	0.4
165.09145	1.3
167.07063	0.4
167.10759	0.5
177.09158	1.0
195.10246	1.8
213.11224	12.1
231.04942	0.5
268.08185	0.4
269.08417	0.7
275.07443	0.9
289.08963	0.4
375.12387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1286
Annotation	Dercitamide
Peak:m/z	Relative Intensity
53.03941	1.0
55.05511	4.4
61.02916	1.0
67.01863	1.4
69.03438	6.3
70.49187	2.9
71.42751	0.9
73.06165	1.6
73.06558	24.5
81.03410	3.8
83.04977	2.8
85.02906	9.0
85.44943	0.8
95.02451	0.9
95.61134	1.0
97.02901	14.8
98.20962	1.3
99.04447	1.3
101.06008	1.4
109.02889	2.7
113.02373	100.0
127.03913	9.5
134.42651	0.9
139.22350	0.8
145.04968	8.6
148.29880	0.9
154.59822	0.9
163.06050	0.9
192.96280	0.9
193.59300	0.8
232.81798	0.8
245.10275	2.5
311.43195	1.0
320.29126	0.9
393.96518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56692	0.6
51.02384	0.8
53.03944	2.6
55.01891	0.6
56.66097	0.6
57.03434	1.4
69.03435	9.2
69.07069	2.4
69.59795	2.7
69.60205	1.3
70.06576	0.6
70.56900	0.6
71.05010	3.8
73.02943	0.6
78.03462	9.9
80.05016	2.5
81.03423	17.5
85.02911	9.4
96.04498	5.0
97.02892	4.9
98.21397	1.8
99.04451	1.9
106.02922	51.6
107.07080	0.7
109.02888	9.3
112.03958	3.3
123.04443	0.6
124.03960	100.0
126.03771	1.5
127.03922	8.6
130.06548	0.6
137.06010	1.0
144.04793	6.4
145.04973	1.1
161.05978	0.7
166.05048	1.8
177.05595	0.7
196.05821	0.6
212.09273	1.1
212.12779	1.6
226.41759	0.7
232.06113	4.6
250.04718	1.2
250.07152	17.4
268.08173	57.8
269.08505	1.5
294.80600	0.6
306.10165	1.6
320.94293	0.6
360.34732	0.7
373.63898	0.7
374.14032	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03953	3.7
55.01874	0.9
57.03441	1.3
69.03431	11.0
70.03737	1.7
70.04123	1.7
71.04993	1.9
78.03455	13.2
79.04245	0.7
79.05513	0.7
80.05029	2.1
81.03427	16.9
84.08139	2.8
85.02908	10.1
86.09698	1.6
96.04507	4.7
97.02898	4.9
98.21368	1.7
98.97642	0.7
99.04449	3.1
106.02926	59.6
109.02884	11.1
112.03954	5.2
113.03513	1.6
123.04398	1.4
124.03960	100.0
125.04250	1.0
127.03919	6.5
136.03909	0.7
136.07486	0.9
139.03937	1.4
145.05023	1.1
148.07639	0.9
153.01833	2.1
154.04976	1.6
166.05022	1.9
183.01563	0.8
194.08195	3.8
196.06061	1.0
203.25243	0.8
211.10867	1.2
212.03836	1.3
212.09184	2.7
212.11061	1.8
218.05627	1.2
232.05992	5.3
250.07137	17.7
268.08173	45.6
269.08582	1.3
289.08884	3.1
374.09711	0.8
374.14554	3.4
375.12601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04208	2.2
56.59735	2.3
71.30887	6.3
79.05482	5.4
81.03435	2.4
85.02906	16.0
91.05472	6.2
91.86557	2.1
92.91830	2.4
97.02908	3.0
103.05465	3.7
105.07024	10.0
105.18943	2.2
107.04964	71.1
107.23294	2.1
109.02887	3.2
115.05463	3.7
117.07032	2.3
135.08047	19.1
137.05919	3.7
145.04980	4.1
145.07632	3.0
162.87651	2.3
163.07547	62.5
164.07932	3.0
167.07051	6.4
180.07750	12.5
195.10176	100.0
206.48341	2.5
253.85811	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	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.05514	22.7
56.96555	2.9
57.03430	7.2
57.06861	2.6
57.07076	28.3
61.02924	5.3
62.14079	2.5
65.03891	4.2
67.05170	3.0
67.05507	41.2
69.03408	9.5
69.07069	30.8
70.30748	2.9
71.04994	13.8
71.08615	4.0
71.58076	3.6
71.58432	2.9
79.05489	33.2
80.26886	2.9
81.03424	18.5
81.07060	100.0
83.04962	11.5
83.08619	23.4
85.02910	3.7
85.06545	28.2
91.05489	37.3
93.07040	46.7
95.05006	13.8
95.08607	79.4
97.02837	6.5
97.06494	9.0
97.10150	8.4
99.08073	5.9
101.06056	3.1
103.05462	6.1
105.07029	41.4
107.04938	10.5
107.08598	47.8
109.02848	6.0
109.06517	21.2
109.10155	57.6
111.04457	4.0
111.08067	5.2
111.11718	6.4
115.05338	2.7
117.07004	11.5
119.08576	33.5
121.06483	8.4
121.10137	41.0
123.04418	3.6
123.08031	10.3
123.11715	36.9
127.03912	5.1
127.07578	4.8
127.11169	4.3
129.06975	5.9
131.04944	3.5
131.08580	23.4
133.06485	6.5
133.10135	20.1
135.04399	2.8
135.08046	9.4
135.11687	27.1
137.06009	15.8
137.09631	8.5
137.13297	17.2
139.03824	2.9
142.07774	4.2
143.08554	3.7
145.10139	21.7
147.11688	21.9
149.09633	12.8
149.13245	30.5
151.03947	2.8
151.07556	20.4
151.11169	7.4
151.14812	2.9
153.05435	5.4
153.09108	3.4
153.12810	4.8
155.07018	21.4
155.08315	4.2
155.14363	3.6
157.10124	13.5
159.08147	4.1
159.11708	16.3
161.09560	3.7
161.13274	15.7
163.11179	8.8
163.14894	6.1
165.12688	7.4
167.07050	21.4
167.10625	3.7
171.11630	5.2
173.13274	12.3
175.07576	5.3
175.11145	6.6
175.14810	7.5
177.12753	7.2
177.16463	5.7
179.07082	5.0
179.14366	4.7
181.04924	12.3
183.11656	3.4
185.13297	5.7
187.11188	4.4
187.14865	5.3
189.00647	3.2
189.09155	3.8
189.12761	3.2
191.07050	8.9
191.10658	4.3
191.14333	2.9
191.17978	5.1
193.08536	2.7
193.12286	4.3
199.14879	3.7
201.12669	5.1
201.16402	5.9
203.17912	4.1
205.19537	9.9
207.13942	3.3
215.17979	8.4
217.19518	3.9
219.13846	8.2
219.17490	3.6
223.20493	3.7
235.20688	3.2
259.67368	3.0
263.20062	11.4
267.09067	5.6
267.16092	2.8
283.24194	6.5
285.10223	9.6
291.26831	7.7
301.25293	23.8
308.21228	2.8
319.26303	70.6
327.12213	3.9
337.27426	14.8
355.18759	3.6
355.22501	3.2
360.92545	3.3
373.12723	7.7
373.19672	4.2
373.23621	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	373.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
53.62678	2.5
54.80994	2.7
55.01870	4.0
55.05512	23.8
57.03435	9.0
57.07073	18.2
59.43990	3.1
61.02937	4.3
62.98491	2.7
65.03949	6.6
67.05506	49.0
67.97596	3.2
69.03423	12.6
69.07072	27.9
71.04988	7.8
74.93432	2.6
77.87790	2.7
79.05488	39.1
80.49627	2.5
81.03438	22.2
81.06577	4.9
81.07061	100.0
83.01343	4.7
83.04990	13.6
83.08617	21.9
83.82710	2.9
85.02905	10.6
85.06554	28.4
91.05479	45.1
93.00978	2.9
93.07046	52.7
95.04954	16.8
95.08610	69.6
97.02879	7.6
97.06527	11.4
97.10165	9.1
99.04475	6.3
99.08078	4.3
103.05453	7.8
105.06370	5.6
105.07029	55.9
107.04930	22.4
107.08592	39.9
109.02899	5.1
109.06492	14.0
109.10152	52.4
111.04433	5.9
111.08060	5.3
112.46152	3.5
113.05959	3.4
115.05493	4.8
117.07040	20.1
119.04930	5.3
119.08584	37.5
121.06526	11.1
121.10146	30.6
123.04499	5.6
123.08065	15.2
123.11720	33.0
125.05989	5.0
125.09611	4.5
127.03928	8.5
127.07561	4.7
127.11212	2.8
129.06981	10.5
131.04927	5.3
131.08577	32.6
131.66086	2.6
133.06479	8.1
133.10120	19.0
135.08054	11.4
135.11694	19.1
137.05977	24.2
137.09653	4.8
137.12256	2.4
137.13254	17.0
139.03940	4.1
139.07547	6.2
139.11177	3.1
141.06992	5.8
143.08568	5.8
145.06456	5.0
145.10107	30.3
147.08051	8.8
147.11694	11.9
149.09618	7.2
149.13269	23.3
151.03859	4.4
151.07558	32.0
151.11208	5.8
153.01814	7.2
153.05476	7.3
153.09038	4.4
153.12776	3.6
155.07025	33.7
155.08336	5.5
157.10170	13.4
159.08070	3.8
159.11707	22.3
161.05989	5.4
161.09593	4.1
161.13287	11.0
163.07487	5.7
163.11209	6.5
163.14865	4.4
165.09106	5.0
165.12801	6.0
167.03421	4.0
167.07068	28.9
167.10617	4.6
169.10185	4.2
171.11743	5.8
173.09631	4.8
173.11778	7.3
173.13280	18.2
175.07547	7.2
175.11237	8.9
175.14816	7.9
177.05453	5.9
177.09067	5.3
179.07068	4.9
179.14270	2.8
181.04990	29.2
183.11696	10.4
185.13316	4.9
187.07628	5.2
187.14832	3.3
191.07030	11.9
191.10718	5.1
191.14339	8.2
193.08606	7.3
193.12228	8.2
199.14842	4.9
201.12761	12.4
205.19626	6.0
213.16318	3.4
215.17940	6.3
217.19543	3.6
219.13780	19.2
219.17390	3.2
227.17851	3.4
235.20499	3.6
245.19118	3.1
247.59406	2.8
263.20065	9.0
267.09268	3.1
283.24423	4.0
285.10114	7.4
291.26907	5.7
297.17706	3.0
301.25287	13.2
309.11243	3.4
313.10513	6.9
319.26324	49.7
337.27264	12.8
341.13696	6.6
355.15186	4.0
355.22546	6.5
355.26364	4.5
373.12900	13.3
373.19727	5.0
373.23730	10.9
373.27594	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	373.2374
Annotation	Asperugin C
Peak:m/z	Relative Intensity
50.64803	0.5
53.03937	2.1
55.01867	2.3
55.05512	5.5
57.07068	0.9
65.03927	2.1
67.05506	41.7
68.99801	2.9
69.03431	0.8
69.07076	3.7
71.05000	0.6
79.05060	0.9
79.05500	15.5
81.07060	34.6
83.04985	1.1
83.08612	2.0
85.06545	0.7
88.36387	0.6
91.05489	8.0
93.07050	16.0
95.04977	4.4
95.08611	22.6
97.06530	1.2
97.10194	0.9
99.04460	1.0
105.07043	5.9
107.08595	10.0
109.02855	0.5
109.06533	1.2
109.10166	15.9
111.00828	0.6
111.04440	1.1
115.05439	0.8
117.07015	1.9
119.04943	1.3
119.08580	4.8
121.06510	1.1
121.10157	8.6
123.04428	7.6
123.08097	1.0
123.11720	6.3
124.01571	2.3
125.09646	0.7
131.08563	2.8
133.10147	5.1
135.11703	8.4
137.02286	0.6
137.05984	3.2
137.13231	1.7
139.03886	4.1
141.05476	7.7
145.10124	1.8
147.04413	1.6
147.11671	2.8
149.13266	6.5
151.03896	1.0
151.07552	2.9
151.11270	0.6
152.01062	2.5
153.05475	38.8
153.12820	0.7
159.11655	2.7
161.13292	1.1
163.14815	0.7
164.04721	0.8
165.05449	1.4
167.03409	100.0
167.07051	5.6
167.14246	0.6
168.03671	0.7
169.04933	2.9
170.02147	2.9
173.13213	1.6
177.05482	3.1
177.80501	0.6
179.03540	0.7
179.07037	11.6
179.08542	0.9
181.04913	0.9
181.08723	0.8
183.06544	0.8
187.14850	1.0
189.16414	8.5
191.07146	1.6
191.17929	2.6
193.08662	0.9
195.06558	10.5
205.08612	2.2
205.19481	1.4
207.10199	4.8
209.08199	1.8
215.17958	6.3
217.08571	1.4
219.10167	1.9
221.11795	1.1
222.27245	0.6
223.09634	1.1
225.53168	0.5
231.10188	0.8
233.19019	6.7
239.35240	0.5
251.12909	0.8
303.15421	0.6
355.22653	1.8
373.23633	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	373.2373
Annotation	Grifolic acid
Peak:m/z	Relative Intensity
53.03933	7.1
53.77454	2.2
55.01868	5.2
55.05516	25.6
57.03436	13.4
61.55734	2.5
65.03928	6.1
67.05169	3.7
67.05508	70.0
69.03437	17.2
69.07083	15.8
71.04980	4.7
71.56524	2.2
79.05499	48.7
81.03413	10.3
81.07057	48.7
83.04980	24.3
83.08607	10.2
85.02901	3.4
85.06540	6.1
89.60056	2.9
91.05483	61.3
93.07048	65.0
95.04958	14.5
95.08609	39.5
97.02879	4.4
97.06528	6.2
97.10160	4.4
98.21117	3.0
99.08029	3.8
103.05439	4.1
105.07036	43.7
107.04951	9.1
107.07954	2.9
107.08595	24.9
109.02821	3.0
109.06499	13.2
109.10164	29.5
111.04426	3.4
111.08055	5.6
115.05507	2.7
117.07012	18.5
119.04926	2.6
119.08593	41.8
121.06480	8.4
121.10136	19.1
123.04398	2.8
123.08061	7.9
123.11727	6.3
125.05960	2.6
127.03915	8.3
128.06236	6.9
129.05490	3.3
129.06970	14.9
129.99802	2.5
131.08582	28.6
133.06473	9.0
133.10149	23.3
135.08061	16.1
135.11673	11.1
137.05977	10.5
137.09615	12.6
139.03912	3.7
139.07530	2.8
141.06902	5.9
142.07784	5.3
143.08568	21.5
144.09351	4.2
145.06468	8.1
145.10124	25.3
147.08014	10.9
147.11653	9.6
149.06020	3.9
149.09653	17.4
149.13208	2.7
151.07504	4.2
151.11243	3.8
153.01833	20.2
153.05452	5.8
153.06917	3.3
155.07149	4.3
155.08582	10.4
156.09309	3.5
157.06425	2.9
157.10129	18.0
159.08076	11.9
159.11708	14.5
161.05989	3.1
161.09602	11.5
161.13225	4.4
163.03906	3.3
163.07538	7.0
163.11191	5.6
165.09073	5.5
165.12683	2.9
167.03398	3.1
167.07002	5.5
167.08488	4.1
167.10690	9.0
168.09383	3.0
169.10173	9.3
171.08116	3.3
171.11699	12.2
173.09651	10.9
173.11768	5.9
173.13260	9.9
175.07513	3.5
175.11153	14.5
175.14839	3.5
177.09169	6.4
177.12732	4.4
179.03436	2.9
179.10693	6.6
181.04933	10.8
181.10167	2.8
183.08177	3.2
183.11696	14.9
185.09570	6.0
185.13228	4.5
187.07631	4.0
187.11159	10.9
187.14825	3.9
189.09100	6.4
189.12692	5.9
193.10168	3.1
193.12312	2.5
195.11723	4.3
196.12392	3.2
197.09639	5.1
197.13194	5.7
199.11166	8.8
199.14839	7.4
201.09166	4.4
201.12773	14.1
201.16365	3.2
203.10789	4.0
205.04961	14.9
205.10205	3.1
205.12143	4.9
207.11751	4.0
207.13838	4.3
209.13287	4.8
209.15460	2.6
211.11217	5.4
211.14790	4.8
213.12579	3.3
215.10588	3.8
215.14215	3.7
217.12297	6.5
219.13844	3.9
225.12749	4.2
225.16417	4.5
227.14273	3.7
231.06476	7.6
235.14844	5.0
241.15881	3.9
243.13847	4.8
253.15871	5.5
263.17950	3.9
271.16916	7.3
281.18970	8.1
299.20102	12.4
309.22079	5.7
317.21234	7.8
327.23148	6.7
337.21628	6.9
355.18900	20.4
355.22702	35.4
373.19064	14.0
373.23718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2373
Annotation	Hydroxyprogesterone acetate
Peak:m/z	Relative Intensity
51.66911	0.8
53.03934	1.5
55.01865	1.8
55.05505	6.6
57.07066	1.3
65.03913	1.7
67.05507	42.1
69.03424	1.4
69.07067	2.5
69.25366	8.0
69.33489	0.9
79.05501	13.5
81.07062	35.7
83.01331	1.9
83.04970	3.6
83.08629	2.1
91.05486	8.2
93.07050	15.1
95.04970	2.0
95.08611	31.3
97.06512	1.0
98.21119	4.4
105.07034	4.9
107.08611	9.1
108.08998	0.8
109.06516	1.0
109.10155	19.9
111.04436	1.0
117.07003	1.4
119.08560	4.7
121.10152	9.4
123.04430	1.6
123.08044	1.3
123.11694	8.8
125.02360	0.9
125.06036	1.6
131.08572	3.5
133.10121	4.4
135.11694	8.4
136.77475	0.9
137.05934	2.3
137.13252	1.9
141.05478	9.9
145.10121	3.1
147.11673	2.4
149.13274	7.3
151.07521	1.4
153.05470	26.9
159.11693	2.1
161.13275	1.5
165.05458	1.0
165.41571	0.8
167.03409	100.0
167.07072	2.7
169.04991	2.5
173.13275	1.6
177.05438	2.2
179.06985	5.5
181.05032	1.4
187.14803	1.0
189.16388	10.3
191.17905	3.9
194.45905	0.8
195.06511	9.4
205.08611	2.8
205.19521	1.6
207.06577	1.2
207.10220	4.1
209.08073	1.9
215.17990	10.3
217.08618	1.0
219.10197	1.8
223.09616	1.5
231.10052	1.5
233.19011	11.9
257.23184	1.0
265.14343	1.2
355.22678	5.8
373.23688	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	373.2374
Annotation	Pelorol
Peak:m/z	Relative Intensity
53.03953	0.3
53.68530	0.3
55.05489	1.3
57.07065	0.8
67.05510	2.5
69.03440	0.3
69.07044	1.0
71.27534	0.7
74.25931	0.3
79.05480	1.4
79.05901	0.3
81.03416	1.2
81.07072	2.5
83.08614	0.7
85.32721	0.3
91.05468	1.1
93.07024	1.3
95.04974	0.4
95.08585	1.3
98.21013	0.4
105.07002	1.1
107.04935	0.4
107.08616	0.8
109.10158	0.9
117.06990	0.5
119.08542	0.7
121.06489	0.7
121.10139	0.9
123.04461	0.4
123.11684	0.3
127.03910	0.4
131.08604	0.7
135.11713	0.4
137.05969	0.8
139.03891	0.6
141.05458	0.9
143.08589	0.3
145.10080	0.4
151.03865	0.5
151.07553	0.7
152.01039	0.4
153.00768	0.3
153.01836	2.3
153.05472	8.9
158.98015	0.3
159.07980	0.4
163.03868	0.9
167.03407	10.5
167.07043	0.6
169.04988	0.6
170.02150	0.5
176.04707	1.4
177.05516	0.9
179.03410	0.5
181.04906	0.5
192.04182	5.1
193.04941	1.9
202.39293	0.3
204.04189	13.9
205.04970	5.7
206.05742	4.9
207.06558	0.4
217.04964	0.5
217.08456	0.4
219.06531	62.8
220.07291	2.9
231.06631	0.9
232.07448	0.5
233.08136	0.8
233.15346	0.6
245.08182	0.4
265.17828	0.4
269.54642	0.3
323.44641	0.4
324.06970	0.3
373.23730	100.0
374.23981	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	373.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01873	2.6
55.05506	10.4
65.03949	2.4
67.05508	67.7
69.03435	3.9
69.07065	8.1
79.05496	39.8
81.07064	86.5
83.01344	21.4
83.04974	6.7
83.08598	3.2
91.05499	16.7
93.06484	3.0
93.07050	42.3
95.04971	6.0
95.08611	52.2
97.06511	4.4
100.06760	2.2
100.23386	2.0
101.98933	2.3
105.07025	10.8
107.04909	2.3
107.08606	25.5
107.49059	2.5
109.06506	12.0
109.10149	19.4
110.61858	2.2
111.04440	4.1
117.07031	9.7
119.08576	11.5
121.06535	4.4
121.10149	34.8
123.04486	2.7
123.08063	7.5
123.11710	7.7
125.05973	11.8
127.07560	24.2
131.08583	11.7
133.10143	6.7
135.08049	6.5
137.05939	2.6
139.07529	9.0
145.10086	9.5
147.08040	3.4
147.11682	4.1
149.05984	8.8
149.09627	3.8
149.13235	3.6
151.07550	29.3
152.04654	9.4
153.05455	6.2
159.11760	4.8
161.09634	2.5
161.13257	10.7
163.07561	10.4
163.14841	33.9
165.09108	9.2
167.03386	4.5
167.07071	12.3
167.10799	3.1
169.08615	79.9
177.05522	5.0
177.09140	5.4
181.08600	17.6
187.11240	3.8
187.14856	21.1
189.09138	3.6
191.07057	4.2
191.10693	4.1
193.08748	4.7
195.06537	100.0
195.10156	6.4
205.08597	7.9
205.15808	2.9
207.10193	6.3
211.09567	11.2
213.07573	24.6
223.09671	51.5
229.15828	3.0
233.11716	19.2
239.03279	2.5
245.11673	5.0
247.13284	4.7
263.12836	2.8
265.14563	2.8
355.22601	36.0
356.22867	3.0
373.23685	49.2
373.30774	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	373.2373
Annotation	Hydroxyprogesterone acetate
Peak:m/z	Relative Intensity
55.01868	1.9
55.05510	5.3
65.03956	1.5
67.05505	39.9
69.07063	4.1
69.65465	4.6
69.65897	3.9
76.22652	1.1
79.05495	13.3
81.07058	40.2
83.01300	1.7
83.04980	3.3
91.05475	6.9
91.33202	1.1
93.07051	13.2
95.08608	30.5
97.06519	1.8
98.20768	1.3
98.21284	2.4
105.07042	4.8
107.08610	9.6
109.06514	1.4
109.10178	15.4
112.13302	1.2
117.07034	2.1
119.08587	4.8
121.10156	8.5
123.11692	7.0
125.06004	1.9
131.08521	3.5
133.10127	5.5
135.11687	10.1
137.05937	1.9
137.13242	2.4
141.05478	10.0
145.10114	3.3
147.11688	3.3
149.13338	7.0
151.07632	2.4
153.05470	27.1
159.11726	3.4
167.03406	100.0
167.07068	3.2
169.04947	2.4
173.13301	1.6
179.07057	5.2
189.16350	10.6
191.17972	6.0
195.06563	8.2
205.08612	2.6
207.10220	4.9
209.08130	3.8
215.17946	9.2
219.10208	2.5
223.09807	1.4
233.18970	13.2
235.09729	1.4
248.59077	1.3
260.38245	1.3
267.80862	1.3
341.73239	1.4
355.22662	6.2
373.23712	20.9
390.59152	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
57.07070	2.0
57.42109	1.4
59.05001	1.9
59.42816	1.2
67.05503	13.8
69.03424	4.5
69.07072	11.2
70.67204	2.0
70.67532	2.2
71.04993	1.9
79.05481	2.5
81.07061	17.6
83.04989	10.4
83.08627	8.4
85.02907	8.3
85.06553	3.8
91.05482	2.5
93.07047	10.3
95.08608	31.9
97.02898	1.6
99.08089	3.6
105.07050	6.1
107.08598	20.7
109.02882	1.6
109.06519	8.9
109.10159	93.3
110.10509	1.3
111.08074	3.2
113.09621	2.4
119.08586	38.4
121.10167	12.0
123.08080	13.6
123.11714	7.6
133.10138	21.9
135.11697	100.0
137.09593	16.0
139.11154	2.3
149.13290	7.1
151.11189	7.7
151.14838	8.4
153.12740	2.5
165.16405	2.6
175.14825	43.6
193.15894	60.2
193.17662	2.9
211.16954	53.0
373.13727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.96436	11.5
51.72881	12.1
63.89141	13.6
67.05508	24.3
69.07041	20.1
76.69143	13.4
93.07062	13.5
95.08602	26.6
98.21127	76.5
107.08584	25.0
109.10158	100.0
119.08580	29.8
123.11741	14.7
133.10060	23.1
135.11707	75.0
171.65170	13.7
175.14848	33.7
185.04172	14.5
192.13489	13.3
193.15927	54.5
197.43927	12.5
211.16985	72.8
225.92117	12.2
284.52032	13.2
373.45752	14.7
374.32227	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	373.2373
Annotation	Asperugin C
Peak:m/z	Relative Intensity
52.62303	0.8
53.03938	1.7
55.01859	2.6
55.05515	9.3
57.07087	4.4
60.53638	0.8
65.03931	1.9
67.05508	51.6
67.38612	0.8
68.99773	1.0
69.03421	2.3
69.07071	6.1
71.08614	3.0
71.57694	0.8
75.04274	0.8
79.05498	18.4
81.07059	51.7
83.01329	2.9
83.04964	2.1
83.08607	2.4
83.87572	1.2
85.06531	1.6
85.12248	0.9
89.37583	0.7
91.05482	12.0
93.07047	21.5
95.04950	3.1
95.08610	35.8
97.06522	2.5
97.10175	1.9
105.07028	8.4
107.04947	1.5
107.07941	1.3
107.08595	11.7
109.06499	2.2
109.10158	19.8
111.08059	1.1
117.07000	3.3
119.08581	8.3
121.06506	1.1
121.10136	9.1
123.04436	3.6
123.08070	4.7
123.11715	9.9
125.02366	0.9
125.05992	1.2
127.03922	1.1
131.08563	6.3
133.10124	8.7
135.08023	2.9
135.11703	12.5
137.05977	3.5
137.13235	3.7
141.05460	25.1
145.10136	5.1
147.11676	3.3
149.09644	1.9
149.13242	7.5
151.03891	0.8
151.07549	40.0
151.11128	1.1
151.14816	0.8
152.07759	0.8
153.01860	6.4
153.05466	30.1
155.06984	1.6
159.07909	1.0
159.11674	3.8
161.05975	1.6
161.13260	1.4
163.07545	2.5
163.11232	1.4
165.05501	2.3
165.09088	1.9
167.03407	100.0
167.07059	6.0
168.03755	1.1
169.04997	2.6
173.09518	1.0
173.13254	3.5
175.14854	1.1
177.05507	3.7
177.09184	3.3
177.12704	1.1
179.03308	1.1
179.07074	6.0
181.04999	9.1
185.04460	1.2
187.14888	1.6
189.09169	1.9
189.16403	10.2
191.07021	2.7
191.10681	2.3
191.17929	5.8
192.04198	1.5
193.04958	1.8
195.06494	10.7
205.04945	2.9
205.08537	2.3
205.19456	2.3
207.10146	4.9
209.08110	2.9
215.17960	11.5
217.08568	2.0
219.10188	1.8
221.08064	1.3
223.09673	1.0
231.06487	1.4
231.10237	1.4
231.17529	0.9
233.08148	5.3
233.11897	1.4
233.19032	11.6
237.11205	1.2
249.11171	1.1
256.09280	0.9
257.15414	1.0
346.75089	1.0
355.18857	1.5
355.22705	8.1
355.26492	1.7
373.19879	25.2
373.23831	17.3
373.35107	2.1
374.20145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	24.9
69.03422	11.2
69.07069	19.4
70.87984	15.1
70.88329	9.4
79.12437	7.7
81.07063	21.5
83.04977	10.9
83.08674	8.4
93.07052	15.9
95.08611	39.5
98.21215	10.8
105.03863	9.7
105.07048	15.8
107.08588	30.6
109.06531	15.3
109.10168	100.0
112.04033	9.2
119.08595	30.8
121.10130	15.9
123.08081	10.6
123.11757	12.6
133.10124	20.3
135.11716	95.6
137.09567	15.5
151.11263	11.6
151.14801	11.6
167.07079	11.6
174.64088	7.5
175.14867	45.3
193.15897	49.1
211.16907	83.5
313.11880	14.3
373.13727	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	373.2222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.32314	2.9
52.31773	2.9
52.66630	3.4
52.66919	2.8
53.03941	5.5
55.01865	4.8
55.05509	8.4
57.03432	3.9
60.86219	3.1
62.08863	3.4
67.05496	11.2
69.03419	8.4
69.07063	8.4
69.41267	25.2
69.41676	6.9
71.04986	6.6
79.05499	9.0
80.45366	3.0
81.03439	8.2
81.07057	19.0
83.08646	4.8
83.56432	3.6
85.02902	19.8
85.06551	5.4
91.05484	9.0
93.07050	15.6
95.04970	9.1
95.08625	20.9
97.02914	5.7
97.06511	5.2
98.20913	11.1
99.08083	5.9
103.05471	9.5
105.07045	11.1
107.04962	15.4
107.08602	14.1
109.02869	5.7
109.06510	7.8
109.10154	37.7
111.08084	14.6
119.04923	4.4
119.08591	21.1
120.69852	3.0
121.10164	10.8
123.04405	17.2
123.08085	13.7
123.11726	6.1
125.09647	6.9
131.04939	9.4
131.08549	3.0
133.10162	17.3
133.35887	2.9
135.11690	22.1
137.05997	14.6
137.09621	34.6
145.05043	3.2
147.04488	5.9
147.11752	4.2
149.05943	5.0
149.13255	7.3
151.03900	28.2
151.11192	5.1
151.14787	4.3
153.05470	5.3
160.05205	3.3
161.05978	6.9
163.07559	12.0
165.05540	3.8
165.12825	6.6
167.07065	20.2
167.08400	4.7
175.07544	13.1
175.14844	26.3
185.92996	3.2
187.07646	3.8
191.07095	9.6
193.08575	4.0
193.15887	24.7
197.06046	4.1
205.06570	4.3
206.07249	6.0
207.08131	5.6
211.07643	4.9
211.16930	100.0
221.11731	14.5
222.06747	4.8
223.07527	3.6
227.07014	7.8
234.06717	6.5
235.07562	12.5
237.09091	5.3
239.10735	3.5
240.07800	3.4
242.05930	4.0
243.24420	3.4
247.07587	4.2
249.09277	4.0
250.06300	4.2
251.07074	6.0
254.09233	3.3
263.07120	7.9
265.08621	12.3
267.06555	5.1
277.08627	14.8
279.06430	6.0
280.07242	4.2
282.08789	4.3
283.09476	5.1
285.07465	4.3
293.08133	11.2
295.09692	8.4
297.11243	10.1
303.08615	11.1
305.08148	3.7
307.09595	7.9
309.11255	6.8
313.10870	6.4
325.10696	9.7
327.12143	10.2
329.13934	5.2
337.10617	7.6
341.10208	4.8
341.13791	24.6
343.11737	5.0
345.13440	15.1
345.83191	3.9
355.11703	15.8
373.12610	30.7
373.17123	5.4
374.03604	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	373.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05513	9.5
57.03442	2.2
60.49642	0.8
63.80089	0.7
65.03938	0.9
65.77792	0.9
67.01881	1.1
67.05164	1.8
67.05510	26.9
68.99787	1.7
69.03433	4.4
69.07099	4.5
71.50159	0.9
72.92150	0.8
79.05496	18.6
81.03421	4.7
81.07068	20.3
83.01340	1.0
83.04991	1.2
83.08646	1.9
85.02924	1.2
91.05494	11.8
93.07050	17.3
95.04967	2.1
95.08618	10.9
97.02897	2.2
97.10168	1.0
98.20874	4.6
105.03395	1.9
105.07043	6.1
105.55412	0.9
107.08609	8.1
107.48466	1.0
107.49246	1.0
109.06538	2.4
109.10146	6.6
111.00765	1.0
111.04449	1.0
117.07037	2.1
119.08599	3.8
121.10159	4.2
123.04462	1.9
127.03964	3.2
128.06288	1.0
131.08583	3.2
133.06566	1.1
133.10139	2.7
135.08089	2.5
135.11694	1.7
137.06039	1.9
139.03920	6.5
145.10159	2.5
147.11713	1.4
153.01836	43.0
155.07048	2.8
159.11711	2.0
161.06049	1.0
161.09660	1.0
163.03960	1.6
163.14842	4.5
165.01904	1.5
165.05521	1.2
167.03578	1.1
167.07050	1.6
173.11789	3.0
173.13217	1.2
177.05481	1.3
179.03432	7.9
181.05016	3.8
187.14856	2.9
189.05469	1.4
189.11258	0.9
191.03328	0.9
192.04195	9.3
193.04927	2.4
203.07082	2.4
203.17920	1.4
205.04979	100.0
206.05586	4.1
211.14772	1.2
213.05495	1.4
217.04947	6.0
218.05719	1.3
219.06502	5.5
219.13817	1.0
219.97827	1.1
231.06532	23.3
231.10091	1.6
233.08176	1.7
243.06653	1.0
245.08141	2.8
247.17082	1.0
257.08041	1.4
259.09714	1.0
261.11166	1.0
273.11221	2.4
280.42267	1.1
299.12680	1.1
301.14380	1.1
337.18033	2.3
353.17694	1.0
355.19052	92.0
356.19458	3.9
373.18704	6.5
373.23633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.46717	0.4
55.01863	0.8
55.05510	2.9
57.07077	1.1
65.03957	0.5
67.01868	1.3
67.05506	8.8
68.99785	1.1
69.03428	1.2
69.07067	1.8
70.18099	2.0
71.07244	0.5
71.08649	0.6
79.05053	0.9
79.05495	14.7
81.03421	0.6
81.07065	7.7
83.08610	0.8
85.06518	0.7
91.05483	6.2
93.07046	13.2
95.04957	2.0
95.08607	7.0
97.02908	0.9
97.06537	1.4
97.30754	0.5
98.20859	0.5
98.21366	0.8
105.07055	3.7
107.08592	5.1
109.06499	1.0
109.10170	3.2
117.07016	2.2
119.08595	3.2
121.10136	8.7
123.04449	0.7
123.08084	0.7
123.11691	0.5
127.03907	6.2
131.08548	3.3
133.10136	1.8
135.08067	0.7
135.11685	2.0
139.03917	1.8
141.05487	0.6
145.10141	3.0
147.11740	1.0
151.03951	0.6
153.01836	100.0
154.02161	1.7
159.11696	1.4
161.13284	1.0
163.03993	0.6
163.14812	1.7
165.01880	1.1
167.03427	1.3
169.05009	1.0
177.16501	0.7
179.03372	1.2
187.14857	5.2
192.04141	1.4
193.05022	1.3
195.02934	0.8
203.17996	1.8
205.04970	8.7
205.15880	0.8
217.04947	0.7
219.06578	1.1
231.06596	3.5
233.08148	1.1
263.09314	0.5
287.12741	0.5
299.12750	0.6
337.17816	0.7
355.19098	7.3
373.20096	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	373.2011
Annotation	Galbelgin
Peak:m/z	Relative Intensity
53.03941	1.3
55.01875	1.0
55.05509	2.7
57.03418	1.0
57.07082	5.1
63.90019	0.5
65.03944	0.7
67.05505	7.4
68.99790	0.7
69.03432	1.0
69.07069	2.0
69.77402	1.2
69.77796	1.2
71.08632	4.5
73.73534	0.4
75.45042	0.4
76.14338	0.5
79.05496	4.8
81.03407	1.1
81.07057	5.8
83.04977	1.3
83.08607	1.0
85.02956	0.6
85.06555	0.5
85.10185	7.2
87.04465	0.9
91.05489	5.5
93.07050	5.4
95.04944	1.9
95.08604	5.3
97.06532	1.1
98.21190	0.8
99.04469	0.7
99.08094	1.5
103.05507	0.6
105.07037	5.5
107.04976	0.9
107.08608	2.9
109.02924	0.5
109.06516	2.0
109.10162	2.1
111.00808	0.6
113.09637	3.3
117.07040	2.3
119.04895	0.7
119.08584	4.5
121.06528	1.2
121.10149	1.3
123.04387	0.8
123.08035	0.5
125.06031	0.6
127.03932	1.3
129.06993	1.9
131.08562	2.5
133.10144	2.8
135.08038	1.9
135.11658	1.0
137.06012	1.5
137.09583	0.7
139.03951	3.9
139.07512	0.5
141.07018	0.5
142.07742	0.7
143.08603	1.4
145.06470	0.8
145.10159	2.9
147.08104	0.9
147.11679	1.4
149.05940	0.5
151.07420	0.5
153.01836	29.6
153.05429	1.1
155.07053	1.3
155.08527	1.2
156.09406	0.6
157.10141	1.8
159.11722	1.2
161.05949	0.8
161.13214	0.6
163.03979	2.4
163.11191	1.3
165.01828	0.6
165.05515	1.1
167.03523	0.6
167.07047	1.0
169.10162	1.3
171.11736	1.3
173.11813	0.7
173.13255	1.3
175.03908	0.5
175.07605	0.5
175.46443	0.4
177.01813	0.5
177.05412	1.5
179.03427	3.1
179.06981	0.5
179.08539	0.9
179.10614	0.4
181.04968	4.0
182.11067	0.8
183.11684	0.9
185.13278	0.8
187.14853	1.2
189.05441	0.8
191.03421	1.3
191.07022	0.6
192.04187	8.1
193.04979	1.8
195.11682	0.5
200.04640	0.8
203.07053	2.7
205.04967	24.4
205.15837	2.7
206.05646	0.8
207.11771	1.0
209.13261	0.8
211.14915	0.7
217.05043	2.3
217.08543	1.0
218.05757	0.6
219.06555	1.3
219.13739	0.6
223.14778	0.6
229.05069	1.0
231.06522	9.1
233.08072	0.9
243.06549	0.8
243.10094	2.8
245.08124	8.6
247.17062	0.6
248.15332	0.5
249.16330	0.5
257.08145	2.2
257.11633	0.8
259.09717	0.9
261.11234	11.9
275.12704	3.0
315.15973	0.7
329.22717	0.6
337.40039	0.5
355.18887	4.3
355.22610	0.6
356.19135	0.6
373.20111	100.0
374.20493	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	373.2011
Annotation	Galbelgin
Peak:m/z	Relative Intensity
50.77026	0.9
53.03939	2.8
55.05514	10.8
65.03935	1.0
67.05506	21.0
68.88301	0.9
68.99803	1.2
69.03434	1.0
69.07059	3.8
70.76115	2.8
79.01846	0.8
79.05495	19.3
79.90859	1.0
81.03383	2.4
81.07058	16.2
83.08611	2.4
86.87881	1.0
91.05475	10.3
91.85976	0.8
93.07044	14.8
93.25571	1.0
95.04959	2.3
95.08620	9.2
97.02861	1.0
97.10151	0.9
98.21236	1.3
101.55988	0.9
105.03376	1.2
105.07020	5.2
106.23735	0.9
107.04924	1.3
107.08608	6.5
109.06533	1.1
109.10164	3.7
117.07009	1.5
119.08592	3.0
121.10140	3.9
123.04408	1.3
123.11707	1.3
123.65337	0.9
127.03959	1.4
131.08578	2.4
133.06488	1.7
133.10156	2.6
135.07979	0.9
137.05959	2.2
139.03888	5.5
145.10136	2.7
147.11742	1.8
151.03947	1.4
153.01833	40.7
153.05414	1.8
155.07085	1.0
159.11705	2.0
163.03889	2.2
163.14818	2.8
165.01932	1.0
167.03416	1.8
167.07069	1.8
167.86613	1.1
171.02910	1.2
177.05400	2.1
179.03413	6.9
181.05006	2.3
185.13374	1.2
187.14864	3.3
189.05467	1.8
191.03532	1.1
192.04161	12.0
193.04948	1.6
203.06975	1.6
203.18013	1.5
205.04974	100.0
206.05597	3.1
211.22661	1.0
213.05557	1.2
217.04979	4.9
218.05954	1.3
219.06526	5.9
229.04997	1.2
231.06528	22.8
232.07082	1.1
245.08209	2.2
261.11209	1.1
273.11176	2.4
301.14340	1.2
313.14343	1.3
355.19046	93.1
356.19241	2.8
356.34543	0.9
373.19720	2.3
373.24014	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	373.2011
Annotation	Galbelgin
Peak:m/z	Relative Intensity
53.03951	0.5
55.05509	2.2
57.03432	0.6
57.06823	0.7
57.07081	10.1
67.05512	4.5
69.03422	1.1
69.07066	2.3
71.08636	3.9
71.16505	1.0
76.41863	0.4
79.05496	2.5
81.03428	2.8
81.07064	5.0
81.84948	0.5
83.08595	0.5
85.06566	0.5
85.10186	5.2
91.05487	2.7
93.07037	2.5
93.48480	0.4
95.04964	1.3
95.08613	3.9
105.07036	1.6
107.04992	0.8
107.08574	1.3
109.06506	0.6
109.10179	1.0
113.09627	3.3
117.07001	1.1
119.08583	1.6
119.80157	0.5
121.06495	0.7
121.10146	0.7
121.35860	0.4
121.45745	0.5
123.04407	0.7
123.11680	0.6
131.08592	1.3
133.06554	0.6
133.10181	1.0
135.08070	1.0
135.11739	0.6
137.05943	0.5
139.03894	1.2
141.05464	1.8
143.08601	0.5
145.10110	0.6
151.07556	1.4
153.01837	21.8
153.05475	2.0
155.07013	1.1
157.10069	0.7
159.11700	0.6
161.09612	0.6
161.13297	0.6
163.03920	0.5
167.03398	4.7
177.05460	0.7
179.03481	1.5
181.04982	2.7
189.05501	0.5
191.03331	0.5
192.04184	7.8
193.04947	0.8
195.06770	0.5
196.03612	0.5
203.07037	1.1
205.04962	15.1
205.15845	1.7
206.05734	0.6
213.05452	0.7
215.07050	0.7
217.05002	2.0
218.05766	0.6
229.05051	0.8
231.06516	5.7
232.07242	1.5
233.08101	6.3
233.15341	0.6
241.08612	0.5
243.06558	0.7
243.10258	2.4
245.08099	6.1
257.08194	1.0
261.11237	9.7
355.18951	1.5
373.20108	100.0
374.20523	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	373.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97974	0.3
53.03939	1.2
55.01865	0.6
55.05508	2.7
57.07079	0.4
65.03927	0.4
67.01863	2.1
67.05174	0.5
67.05508	7.8
68.99791	1.5
69.03416	1.5
69.07055	1.5
71.01929	0.6
73.64816	0.3
73.71506	0.3
79.05492	15.2
81.03413	0.5
81.07062	7.9
83.04993	0.8
83.08614	0.8
83.09112	0.4
91.05483	6.4
93.07043	13.9
95.04956	1.4
95.08609	5.8
97.02876	0.8
97.06510	2.1
103.05483	0.5
105.07020	3.8
107.04973	0.4
107.08589	5.4
109.10140	2.4
111.00764	0.4
111.08058	0.4
117.07034	1.6
119.08581	2.6
121.10149	8.8
123.04409	0.5
123.08094	0.4
123.11712	0.6
127.03928	5.8
129.06923	0.5
130.07765	0.4
131.08574	3.3
133.06540	0.4
133.10143	2.0
135.08067	0.6
135.11710	2.2
137.09610	0.6
139.03938	1.8
145.10115	3.1
147.11658	0.6
149.09624	0.6
149.13289	0.4
151.03912	0.9
153.01830	100.0
154.02158	1.4
156.75497	0.3
159.11681	1.2
161.13261	1.0
163.14851	1.6
165.01823	0.6
167.03375	2.0
169.04958	1.0
171.02870	0.5
171.11703	0.4
177.05511	0.6
177.16374	0.7
179.03362	0.7
179.06953	0.4
181.04890	0.4
183.02873	0.6
186.88809	0.3
187.14839	4.7
193.04990	0.6
195.02974	0.5
201.16377	1.0
203.07074	0.4
203.17897	1.6
205.04980	9.6
205.08618	0.7
205.15927	1.1
207.06566	0.6
217.05060	0.6
219.06497	0.6
229.15846	0.7
231.06531	2.8
233.08118	0.6
249.07578	0.7
263.09283	0.4
327.19528	0.4
337.17828	0.6
355.19089	6.8
373.19666	2.5
379.28909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2011
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
53.03941	2.8
55.01875	1.8
55.05513	4.6
57.07068	3.2
65.03934	1.5
65.25321	0.7
67.05505	15.4
68.99800	1.4
69.03433	1.7
69.07059	4.2
69.83365	4.8
71.04982	0.8
79.05495	13.7
81.03426	26.9
81.07063	12.7
83.01328	1.5
83.04984	2.8
83.08617	1.3
85.02918	1.0
85.06535	2.1
87.29664	0.8
87.61947	0.8
91.05486	8.7
93.07051	8.3
95.04974	9.2
95.08614	10.0
97.02912	1.0
97.10175	1.0
98.20818	1.4
98.21377	1.8
105.04494	0.9
105.07023	6.8
105.41685	0.7
107.04976	7.2
107.08615	5.7
109.06527	2.6
109.10156	3.5
111.04474	1.6
117.07034	5.0
119.08593	5.3
121.06502	6.4
121.10165	5.0
123.04440	1.9
123.08099	1.6
123.11716	2.7
125.06026	1.6
127.03978	1.2
129.07014	1.5
131.08591	10.1
133.06471	2.0
133.10124	3.8
135.08058	3.5
135.11702	3.9
137.05994	4.2
137.09654	1.6
139.07544	1.1
141.05461	9.7
143.08556	1.6
145.10136	3.9
147.08057	1.8
147.11682	1.9
149.09625	1.8
149.13254	1.0
151.03947	1.2
151.07558	3.6
153.01825	2.9
153.05486	23.8
155.07039	3.8
155.08452	1.4
159.11754	1.3
161.06038	1.7
161.09718	1.8
165.05565	1.0
167.03412	68.0
167.07050	4.1
169.04996	3.6
169.10205	1.0
171.11720	2.6
172.39537	0.8
173.13242	4.7
177.05460	2.5
177.09065	1.5
179.07034	2.8
181.04987	8.9
185.04553	1.1
187.14839	3.5
191.07014	1.3
192.04169	4.8
193.04987	2.1
193.08653	1.4
195.06538	2.1
197.13297	3.7
204.04195	14.4
205.04979	6.2
205.08640	1.1
205.16039	1.4
206.05710	5.3
207.10374	1.3
209.08005	1.5
215.14343	4.2
217.08687	1.2
218.05804	1.7
219.06535	65.2
219.17429	2.2
220.07249	3.7
231.06523	1.5
233.08041	1.1
233.15376	17.9
305.17413	1.3
355.19107	1.1
373.20111	5.8
373.23788	100.0
373.30450	4.8
374.24164	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	373.2008
Annotation	Lancerodiol 6-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.03940	9.8
55.01858	14.9
55.05501	23.0
57.03431	17.7
65.03946	8.9
67.05509	99.2
68.99776	11.1
69.03426	26.7
69.07058	18.7
69.78995	33.1
70.06587	6.2
71.04981	20.3
75.00433	7.5
79.05495	82.5
81.03411	19.8
81.07055	100.0
83.04971	11.9
83.08595	18.4
85.02898	11.1
85.06544	6.8
88.07580	6.9
91.05479	86.8
93.07044	96.0
95.04955	28.6
95.08606	69.3
97.02872	13.5
97.06534	9.1
98.20699	5.9
98.21258	10.5
99.04453	52.2
105.07034	74.0
107.04945	8.7
107.08608	53.6
109.02872	5.8
109.06483	19.4
109.10147	37.7
109.14291	5.2
111.04445	12.2
117.07020	28.2
119.08580	49.9
121.06492	10.0
121.10184	26.3
123.04455	7.7
125.02384	9.5
125.05937	6.5
125.09620	7.1
127.03915	15.5
129.06984	18.8
131.07715	6.0
131.08591	54.3
133.06528	9.1
133.10123	31.8
135.08035	15.8
135.11682	10.2
137.05977	12.6
137.09636	9.5
139.03885	32.6
141.05481	10.6
142.07800	5.7
143.08559	18.2
145.10120	48.9
147.11668	45.9
149.05931	12.8
149.13298	33.9
151.07564	6.4
153.01828	71.0
153.05437	17.3
155.07066	15.1
155.08459	6.3
157.10155	7.9
159.08044	7.1
159.11678	15.0
161.06039	12.8
161.09589	7.1
161.13292	7.7
163.03912	9.8
163.14703	5.8
165.05464	24.4
167.03348	13.0
167.07047	8.0
171.11726	16.1
173.11830	11.0
173.13255	33.6
175.07568	5.0
175.11174	7.5
177.05469	23.2
177.09169	5.3
179.07063	10.5
181.04939	28.8
182.78539	5.0
183.06535	6.9
183.11694	9.5
185.13205	9.8
187.07571	8.1
187.14828	26.2
189.05496	7.7
189.12704	9.5
191.03397	15.4
191.07027	10.5
191.14299	10.8
193.04938	10.4
193.58281	5.3
195.06549	19.3
201.16362	8.5
203.06969	13.2
205.04947	16.2
205.08646	8.7
207.06548	9.8
209.04439	59.3
209.07985	5.4
211.14813	8.7
217.08546	5.5
219.06546	16.8
219.13823	5.4
221.08081	9.2
229.15839	13.1
232.85370	6.2
243.06573	8.0
243.10115	6.0
245.07980	6.7
247.09584	9.2
247.16966	13.3
249.11166	5.6
259.09741	6.4
261.11426	6.7
337.17850	20.6
355.18915	76.8
355.22702	12.5
373.19717	53.0
373.27338	9.0
374.36288	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	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05500	2.6
58.23780	0.6
65.03934	1.6
67.05499	3.4
69.03432	1.0
69.07075	1.7
69.92325	3.3
79.05490	3.9
81.03411	1.3
81.07065	6.1
85.02907	0.8
85.06543	2.0
87.50696	0.9
90.57678	0.7
91.04959	1.4
91.05487	15.7
93.07055	2.8
93.38839	0.8
94.04187	2.6
95.04974	4.7
95.08620	4.1
98.21165	1.7
101.06043	0.9
103.05472	4.8
105.07045	4.6
107.04954	10.1
107.08592	1.7
109.02875	1.2
109.06527	3.0
109.10162	3.4
111.04462	1.5
111.08088	0.9
115.05489	2.6
116.06332	0.8
117.06993	1.7
119.04945	10.8
119.08610	1.9
121.06484	2.9
121.10145	2.6
122.03658	6.7
123.04467	1.1
123.08059	2.2
123.11723	0.9
125.06013	1.4
128.06238	4.5
129.07005	18.2
131.04938	6.2
131.08626	2.7
133.06483	2.2
133.10123	1.4
135.08051	2.4
135.11691	1.0
136.05220	1.6
137.05981	100.0
138.06279	0.9
143.04930	1.6
143.08609	1.0
144.05693	0.9
144.93443	0.8
145.06500	3.0
145.10143	1.7
146.03624	1.8
146.07253	1.6
147.04391	0.9
147.08061	1.4
147.11742	1.6
149.05992	3.5
151.03894	3.0
151.07550	62.7
152.06157	1.0
153.05453	1.5
153.06978	1.4
154.07788	1.4
155.08670	0.8
156.05803	1.0
157.06496	19.5
157.10139	1.3
158.07268	1.5
159.04437	1.3
159.11667	1.4
160.05215	1.2
161.05986	12.5
161.09602	7.0
161.13263	1.1
163.07562	9.3
165.05606	1.0
165.07004	14.1
165.09114	0.9
167.07059	4.0
167.08565	2.4
168.05734	0.8
169.06474	1.5
173.09471	1.0
174.06781	7.3
175.07571	9.0
175.11171	1.8
177.05519	1.1
177.09145	1.9
178.07791	6.5
179.07152	1.1
179.08559	2.3
181.06454	4.0
182.07275	5.2
187.07547	1.2
189.09113	47.5
190.09503	0.7
191.07065	1.5
191.08644	1.8
191.10646	1.4
192.05582	0.8
192.09407	2.2
193.06511	11.0
193.08376	1.7
193.10138	12.8
195.08070	2.9
196.08936	1.3
197.06023	1.8
197.09680	2.4
199.07610	1.4
202.07751	2.1
203.08559	3.7
205.06520	1.1
206.07251	1.8
207.08063	2.3
209.06007	3.8
209.09573	1.4
210.06772	10.7
210.10451	0.8
211.07513	2.1
215.18227	0.8
219.08101	1.9
220.08836	1.7
221.06009	17.0
221.09572	16.8
222.06795	1.2
222.10364	1.1
223.07532	2.6
224.08263	7.0
225.05518	1.5
225.09103	12.9
226.09721	0.8
227.07051	2.6
227.10786	0.9
231.07994	1.4
234.06764	1.6
235.07532	2.5
235.11208	0.9
237.05551	2.3
237.09161	1.7
238.06268	5.0
238.09853	1.7
239.07039	2.9
239.10744	1.4
241.08713	1.8
249.09099	8.9
250.09909	1.3
251.07057	1.8
252.07872	4.7
253.08617	16.0
253.12257	30.4
254.09424	1.2
255.06517	2.8
255.10197	1.3
265.08524	1.0
266.09357	1.4
267.10165	11.2
269.08136	4.7
270.08905	2.7
272.10495	3.3
281.11743	15.9
282.12177	1.1
283.09698	1.0
284.10504	2.4
285.11215	38.3
286.11719	1.0
287.12695	1.7
298.12030	1.0
309.11261	1.0
313.14340	27.7
313.17963	1.5
327.12390	1.0
331.15433	1.0
341.13574	1.5
355.11887	0.9
355.22473	1.0
373.08881	0.9
373.12772	3.1
373.16995	3.6
373.27567	1.0
393.65982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01858	2.5
55.05503	2.6
56.96564	1.5
57.03429	1.0
61.02929	1.6
65.03925	1.9
67.05511	4.7
69.03430	2.2
69.07059	2.1
79.05489	4.7
81.03422	2.0
81.07052	7.8
83.04951	1.5
83.08640	1.1
85.02900	1.6
91.05480	20.8
93.07044	5.4
94.04175	3.4
95.04951	4.3
95.08598	4.5
97.02864	1.1
98.20721	2.1
98.21404	2.9
103.05443	3.4
105.07049	5.8
107.04953	9.6
107.08572	3.1
109.06513	5.6
109.10167	2.8
111.04439	1.4
111.39679	0.9
115.05428	3.1
117.07005	1.6
119.04948	11.0
119.08578	3.7
121.06513	2.8
121.10124	1.8
122.03661	7.4
123.04356	1.1
123.08064	1.8
123.11688	1.1
127.03941	1.2
128.06227	5.7
129.07007	19.0
131.04932	4.0
131.08549	3.7
133.06502	1.8
133.10107	3.1
135.08060	2.2
135.11671	1.8
136.05130	2.3
137.05980	100.0
141.06981	1.2
143.04959	1.9
143.08521	1.6
145.06482	3.0
146.03685	1.6
147.11668	1.1
149.05974	3.4
149.09537	1.0
151.03871	3.9
151.07547	54.9
153.01898	1.1
153.06912	1.7
157.06496	20.4
161.05020	1.0
161.06015	11.3
161.09631	5.8
163.07529	11.4
165.07030	12.2
166.07803	1.4
167.07086	2.8
167.08565	2.8
169.06502	2.6
171.08134	1.0
173.06015	1.1
173.09538	1.0
174.06781	8.2
175.07574	8.8
177.09219	1.2
178.07777	8.4
179.08560	2.8
181.05003	2.2
181.06497	4.1
182.07370	6.0
187.07539	1.5
188.08260	1.5
189.09114	53.6
190.09561	1.0
191.08614	1.0
191.10663	1.6
192.09357	3.1
193.06470	9.9
193.08144	1.0
193.08464	1.2
193.10120	11.7
195.08080	3.2
195.09834	1.0
196.08850	1.1
197.05998	1.8
197.09645	1.2
199.07553	1.3
202.07774	1.6
203.08575	2.9
203.10635	1.2
206.07263	1.8
207.08078	3.3
209.05974	3.1
210.06744	11.7
210.10321	1.0
211.07526	2.7
220.08844	2.9
221.06027	16.8
221.09595	16.1
223.07590	2.4
224.08359	5.5
225.09084	14.4
227.07126	2.3
227.10634	1.9
234.06728	1.9
235.07535	2.7
237.05556	1.7
237.09140	2.3
238.06242	4.0
238.09834	1.9
239.06932	2.1
239.10689	2.4
240.07739	1.5
241.08646	1.6
249.09091	9.4
252.07816	3.4
253.08597	15.9
253.12216	32.2
253.14873	1.6
255.06537	3.0
255.10327	1.2
265.08762	1.3
267.10205	13.7
269.08145	4.1
270.08817	2.4
272.10440	3.0
281.11716	13.7
284.10526	1.7
285.11237	39.2
287.12836	1.6
313.10928	2.2
313.14362	26.9
329.91788	1.2
373.16049	2.0
373.23737	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
51.02390	0.7
52.82918	0.5
53.03944	0.6
55.01862	1.0
59.76455	0.5
65.03944	0.9
67.05516	0.6
67.59533	0.6
69.49695	4.5
79.05508	3.0
81.03415	1.0
81.07057	2.0
83.04973	0.5
87.77498	0.7
91.05482	15.2
94.04197	2.8
95.04977	4.2
98.21107	2.3
101.06012	0.7
103.05476	3.8
105.07040	3.2
105.29246	0.6
107.04955	7.3
109.06544	3.1
111.04455	0.8
115.05453	2.5
117.07014	1.4
119.04955	10.3
121.06490	2.2
122.03650	7.3
128.06233	5.9
129.07008	17.6
131.04936	3.3
131.08562	2.5
133.06503	1.9
135.04442	0.7
135.08055	2.1
136.05179	1.8
137.05980	100.0
138.06320	0.9
139.07520	1.0
141.07027	0.9
143.04939	1.2
145.06477	2.5
146.03621	1.7
146.07208	0.8
147.04384	0.6
149.06001	3.2
151.04019	3.7
151.07545	58.2
152.06128	1.1
152.07863	1.0
153.06982	1.3
157.06496	16.9
158.07214	0.8
159.11584	0.8
160.05215	0.8
161.05994	9.0
161.09608	4.9
163.03842	0.7
163.07542	9.8
163.08792	1.0
165.05600	0.8
165.07001	13.1
166.07692	0.7
167.07108	1.3
167.08580	2.0
169.06470	1.3
174.06761	7.9
175.07552	8.1
177.09047	0.7
178.07796	7.4
179.08566	3.0
181.06415	3.0
182.07285	4.9
183.08069	0.8
187.07565	1.5
189.09114	49.3
191.07149	0.7
191.10796	0.6
192.09299	2.5
192.30321	0.7
193.06497	10.4
193.10135	11.7
194.07309	1.2
195.08162	3.0
196.05232	1.0
196.08890	2.3
197.06010	2.5
197.09593	2.0
199.07565	1.3
202.07806	2.5
203.08582	3.4
204.50587	0.6
204.85593	0.6
205.06488	1.3
206.07295	2.1
207.08099	2.6
209.05998	3.1
209.09714	0.8
210.06766	10.1
211.07526	3.1
212.08156	0.7
213.09140	0.7
219.08072	1.9
220.05132	0.7
220.08830	1.9
221.06029	19.1
221.09579	16.4
222.06789	0.8
222.10307	0.8
223.07538	2.5
224.08310	5.4
225.05634	1.0
225.09091	13.3
227.07056	3.4
227.10631	0.9
231.08055	1.2
234.06638	1.4
235.07500	1.6
235.11180	0.9
237.05496	1.4
237.09088	1.3
238.06238	4.3
238.09914	1.6
239.06987	2.4
239.10638	2.6
240.07751	1.3
241.08571	1.0
242.09421	0.7
247.07462	0.8
249.09131	7.8
249.11354	1.0
250.09654	0.7
251.07106	1.2
252.07828	4.1
253.08618	15.4
253.12265	30.5
254.09254	1.1
254.12569	1.1
255.06522	3.1
255.10323	1.0
257.08002	1.1
263.10803	1.7
265.08694	0.7
266.09402	1.1
267.10190	12.7
269.08087	4.8
270.08932	2.9
272.10431	3.1
281.11728	15.0
284.10501	2.1
285.11237	36.3
286.11609	1.1
287.12790	2.0
298.11996	0.7
313.14307	30.9
331.15375	1.2
373.16483	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	373.1127
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03945	3.9
57.03434	1.3
65.03979	0.8
65.26811	1.0
67.05506	1.0
69.03436	1.7
69.78522	4.1
73.09727	0.9
77.03919	1.4
79.05492	3.8
81.03417	1.3
81.07037	1.8
85.02896	5.6
91.05474	2.0
95.01340	3.2
95.04952	5.5
95.08578	0.9
97.02870	1.2
97.06535	1.6
103.05499	1.9
105.03391	100.0
105.07027	2.8
107.04940	4.0
107.08583	0.9
109.02853	1.4
113.02361	0.8
113.03484	0.9
115.05466	0.8
119.08530	1.0
123.04408	4.8
125.05997	1.4
127.03915	1.7
127.05013	0.8
130.04118	1.5
131.04930	2.5
133.10126	1.7
137.05957	5.4
141.01833	4.9
147.04419	2.9
148.05267	0.9
149.06007	1.0
149.09637	1.0
151.03915	1.1
151.11197	3.7
153.05453	3.4
155.03465	1.3
161.05989	2.2
162.06793	2.9
163.07541	3.2
167.07054	2.4
170.05774	3.1
175.07553	3.7
177.05466	1.6
177.09200	1.1
179.07033	27.6
182.93909	1.0
183.06584	1.4
191.07027	2.6
192.07773	1.1
193.08627	2.5
197.08099	9.1
211.09619	1.7
229.11719	0.8
247.02513	1.0
263.34418	0.9
269.08029	1.0
277.03546	1.2
295.09616	0.9
327.12296	1.1
329.13916	1.1
341.10165	3.6
341.13940	5.5
355.14938	1.0
369.56900	0.9
373.08868	2.1
373.13654	1.6
373.17252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1287
Annotation	Glycosmisic acid
Peak:m/z	Relative Intensity
53.03930	3.8
55.01846	9.3
55.05510	4.6
57.03423	6.2
65.03922	7.3
66.31629	2.8
67.05474	8.3
69.03433	18.4
69.07053	6.8
71.04997	3.6
71.57204	4.5
79.05468	8.5
81.03380	8.6
81.07027	12.5
85.02876	10.4
91.05479	18.3
93.07015	8.4
95.04946	10.4
95.08559	7.9
97.02866	5.3
97.06524	5.0
99.04438	3.6
103.05466	15.2
105.07030	14.9
107.04961	22.9
107.08545	8.0
109.02821	6.2
109.06524	6.4
109.10114	9.5
110.18731	2.8
111.04423	6.2
115.05419	9.5
117.06988	6.6
119.04922	6.4
119.08583	7.1
121.06484	7.5
121.10090	3.9
122.03689	2.9
122.99408	2.9
123.04439	21.8
128.06131	4.3
129.06979	3.9
131.04959	22.8
131.08488	5.6
132.05684	6.3
133.10123	6.7
135.08005	5.3
135.11668	6.2
137.05173	2.7
137.05981	31.3
137.09608	6.4
139.03859	6.0
141.06947	4.6
143.04900	4.9
145.06429	9.5
145.10118	3.2
147.04359	12.5
147.07869	3.3
149.05972	4.5
151.03920	44.9
151.07454	4.4
151.11118	4.1
152.06104	5.5
153.01790	3.5
153.05415	11.8
153.07167	3.9
155.08458	3.4
157.06435	3.2
157.35016	3.1
159.07944	3.9
160.05112	5.7
161.05975	8.2
162.06651	5.5
163.07562	21.9
165.05481	4.7
165.06938	9.1
167.07068	60.0
167.08415	5.9
168.05714	4.5
169.06410	8.1
173.05954	5.9
175.07588	28.3
176.06116	3.0
177.05457	6.4
177.06863	3.5
177.09087	6.1
178.07689	9.5
179.08498	11.9
181.05084	5.3
181.06404	14.2
181.08505	5.2
182.07234	3.6
184.05219	4.2
185.06030	3.8
187.07468	10.3
188.04588	3.7
189.05435	3.8
189.06932	14.8
189.08702	3.9
189.12714	3.3
190.07738	6.6
191.06949	20.5
191.08467	5.6
192.07780	5.0
193.06476	8.1
193.08452	7.3
193.10109	3.6
194.07259	11.8
195.07967	10.2
197.05934	6.4
197.09538	3.5
198.06682	4.8
199.07462	5.2
201.05515	6.1
203.06952	14.5
205.06403	19.0
205.08287	5.5
206.07239	15.2
206.70390	3.2
207.04327	4.4
207.06262	4.3
207.08032	11.7
208.05130	4.5
209.05983	9.2
209.09671	4.2
210.06715	8.5
211.07639	15.0
211.17038	3.2
212.04594	4.9
212.08217	4.5
213.05377	7.6
213.09084	4.0
215.06967	9.0
217.06451	8.1
218.07231	7.8
218.09018	3.5
219.07974	10.0
219.09967	4.8
220.05144	6.0
221.05882	13.5
221.11690	15.4
222.06775	15.2
223.07477	11.3
224.08153	10.0
225.05457	6.1
225.09065	11.1
226.06203	5.9
227.03316	12.0
227.06975	16.8
228.07945	4.0
233.05983	17.7
234.06743	31.0
235.07550	39.7
236.04561	4.5
236.08221	4.7
237.09015	19.7
238.09843	3.8
239.07030	15.9
239.10609	9.1
240.07747	8.2
241.08557	18.2
242.05663	9.2
243.06273	4.5
245.05841	4.5
245.08081	4.1
246.06839	5.5
247.07501	7.5
248.08052	4.6
249.05389	8.5
249.09151	27.6
250.06241	27.9
251.07060	27.1
251.09369	3.7
251.10693	4.4
252.07707	10.6
253.08533	19.8
254.09250	6.4
255.06491	7.4
255.09926	8.8
256.07352	3.8
257.08078	18.5
261.05365	4.2
262.06091	9.1
263.07040	35.1
263.09964	4.7
264.07724	8.4
265.04724	3.7
265.05658	4.0
265.08551	35.8
266.09198	12.5
267.06503	6.0
267.09995	12.7
268.07159	3.3
269.08160	8.0
269.11676	8.4
270.08890	3.4
273.05435	3.5
277.05142	7.7
277.08481	40.3
278.05637	3.7
278.09222	4.5
279.06396	18.4
279.09653	6.8
280.07043	4.5
281.08063	10.5
281.11548	6.3
282.08704	4.4
283.09631	20.0
284.10190	5.1
285.07626	3.7
285.10806	3.7
287.11023	5.3
292.07153	12.7
293.08105	45.9
294.08701	10.0
295.06256	5.7
295.09534	19.5
297.07974	5.9
297.11188	31.0
299.09045	9.5
303.08524	12.4
305.07932	14.1
307.06424	4.1
307.09610	26.6
309.07834	5.3
309.11096	15.6
310.08115	6.3
311.08990	4.2
312.09787	5.5
313.10794	17.9
315.12097	5.2
322.08298	3.6
323.09000	8.7
325.10699	40.7
326.11423	3.5
327.08948	3.4
327.12329	32.8
329.13605	12.8
337.10715	27.7
341.10004	10.8
341.13916	19.5
343.11636	14.2
345.13382	50.8
355.07559	4.3
355.11740	62.8
355.15576	6.8
367.64459	3.5
373.08563	7.1
373.12656	100.0
373.16257	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	372.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05502	17.6
56.96574	5.1
57.03436	10.2
59.05004	57.4
61.02929	13.5
69.03436	44.8
70.46349	5.0
71.04996	13.8
71.36572	4.9
71.36929	4.6
71.89868	4.9
72.08158	6.4
72.52087	4.1
73.02920	32.0
73.04768	12.0
73.06557	73.9
77.85442	4.9
81.03416	22.1
83.04991	16.0
85.02908	100.0
87.04462	14.4
91.03956	18.2
91.05809	39.2
91.70908	4.6
92.05743	10.5
97.02890	63.0
97.34406	4.6
99.04510	6.0
101.06054	11.2
103.03953	5.0
105.05507	13.6
107.07089	4.9
109.02887	35.3
111.04449	8.0
113.03482	16.5
115.03934	9.4
117.05479	9.2
118.96912	4.3
119.07050	8.4
127.03909	53.8
133.05006	5.0
145.04956	55.9
153.01797	6.4
156.04764	7.1
163.06021	23.1
178.08620	4.8
199.09677	5.5
210.11221	19.6
210.53731	4.9
218.08435	5.7
231.08713	8.4
239.06786	6.1
246.08000	14.4
249.09610	7.8
263.11264	16.7
264.11880	5.8
285.01010	6.6
286.00909	11.4
304.02133	6.1
319.13895	18.2
356.07364	10.8
372.16327	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	372.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.0
51.02378	0.7
51.53033	0.5
53.03949	3.9
55.01851	0.6
56.05032	0.8
56.63685	0.5
57.03433	1.2
59.04985	0.8
69.03082	0.6
69.03436	10.9
70.93143	1.6
71.04996	1.3
75.28993	0.5
78.03011	1.2
78.03456	16.3
79.05476	0.7
80.05013	2.2
81.03419	20.1
85.02905	10.8
96.04490	4.0
97.02887	5.8
98.21292	1.0
99.04494	2.8
106.02917	72.0
107.03232	1.2
107.04893	0.7
109.02142	0.7
109.02885	13.0
124.03957	100.0
125.04254	1.0
127.03918	8.5
137.05975	2.1
138.06328	1.4
145.04939	1.0
157.06116	0.6
166.05049	2.1
167.07062	0.9
177.05508	1.0
190.04913	0.7
207.07895	0.7
208.06062	0.8
210.11293	0.6
215.43024	0.6
217.08620	1.1
218.08940	1.5
232.06119	4.7
250.07123	32.6
251.07442	0.7
266.08887	0.7
268.08160	33.6
269.08368	1.0
269.10968	0.7
286.09277	2.6
306.68384	0.6
313.14374	0.7
322.11603	0.9
327.11777	0.9
354.14182	1.2
372.12680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03938	2.7
55.01875	0.9
55.85285	0.6
56.05024	3.2
57.03427	1.4
59.05000	1.0
69.03431	11.8
70.06589	1.0
71.00023	1.4
71.04990	1.8
73.02921	0.9
78.03452	14.8
80.05006	3.0
81.03417	22.6
81.07047	1.6
82.29464	0.7
85.02904	13.6
87.04470	0.9
95.04947	2.0
96.04485	5.3
97.02888	7.7
99.04456	4.1
105.07065	1.1
106.02915	73.1
107.08552	0.9
109.02885	14.9
113.03511	1.1
122.06033	1.5
123.04415	2.7
124.03952	100.0
125.04336	0.9
127.03906	10.9
135.93056	0.8
137.05960	1.5
145.04974	1.4
149.05984	1.1
151.11179	0.8
154.05022	5.2
165.05464	1.9
166.05034	2.3
177.05470	6.4
184.46986	0.7
188.11557	0.7
192.17435	0.9
196.06119	1.1
210.11351	1.2
210.15643	1.0
211.10825	2.2
220.09795	1.7
222.53062	0.8
232.06062	3.3
246.07715	0.8
250.07114	33.0
251.07504	1.1
265.08420	0.9
268.08157	35.2
286.09207	2.2
329.10147	2.2
340.12735	1.3
354.14017	0.9
372.13882	1.2
372.23782	2.8
373.09290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2216
Annotation	14-(4'-Hydroxy-3'-methoxybenzoyloxy)dauc-4,8-diene
Peak:m/z	Relative Intensity
53.03921	2.5
55.01863	3.7
55.05516	9.6
64.41919	2.0
64.98535	2.1
65.03923	2.3
67.01851	2.2
67.05498	23.3
67.69874	1.7
68.99785	7.7
69.07064	6.5
69.72501	12.8
72.90882	1.9
74.63943	1.7
77.19291	2.0
79.05488	24.5
81.07053	23.8
83.08617	2.4
91.05477	36.2
93.07045	35.3
93.36247	1.8
94.03770	1.9
95.04968	12.6
95.08600	13.8
97.06522	3.3
98.20753	4.1
98.21368	4.6
99.57097	1.9
105.07030	62.1
107.04945	3.4
107.08585	17.7
109.06548	2.1
109.10166	4.8
111.04493	3.1
114.28172	2.0
115.05501	4.2
117.07034	14.7
119.08572	22.3
121.06484	3.0
121.10162	10.9
123.04428	25.3
123.08072	2.3
123.11670	1.9
124.13138	2.3
125.05932	2.8
127.03917	7.0
128.06198	2.1
129.07028	11.1
129.07829	2.2
130.90152	1.8
131.08580	21.5
133.10129	57.2
135.11687	12.9
137.05981	13.6
139.03891	13.7
141.05460	14.1
143.08539	12.5
145.10086	10.8
147.11687	21.7
149.13275	5.7
151.03963	3.2
151.07552	13.7
153.01834	96.0
153.05464	100.0
155.07027	6.9
157.10129	6.8
159.11670	10.3
161.09602	2.3
161.13268	12.9
163.04002	2.5
165.05510	3.4
167.01952	3.3
167.03401	64.5
167.07097	14.2
169.01311	2.4
169.04901	10.4
170.78279	2.2
171.11655	10.4
173.13261	4.3
175.07578	2.5
175.14850	5.9
177.05479	5.4
179.03474	3.1
179.07030	24.7
181.04922	4.6
185.13263	17.5
187.14806	16.4
189.16313	9.8
191.07089	2.2
192.04190	3.6
195.06572	5.2
199.14841	4.1
201.16394	8.9
203.14371	9.2
203.17972	3.2
205.04976	52.2
205.08594	5.8
207.10226	6.0
209.08107	5.4
213.16360	30.7
217.15930	2.7
219.06622	3.4
219.17479	3.5
221.04497	2.5
223.09741	2.6
231.06528	11.9
231.10126	2.9
231.17410	16.6
245.15373	3.6
249.07730	3.3
335.16501	2.5
340.00266	2.1
353.17484	34.3
353.21246	3.7
354.17535	2.5
371.18320	19.5
371.22195	72.1
372.22531	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2216
Annotation	14-(4'-Hydroxy-3'-methoxybenzoyloxy)dauc-4,8-diene
Peak:m/z	Relative Intensity
53.03939	2.4
55.01876	2.9
55.05510	4.5
61.55830	1.1
67.05501	17.2
68.99770	1.9
69.07070	2.7
70.70255	4.4
75.42448	1.2
79.05490	29.5
81.07062	16.8
83.08614	2.4
88.25922	1.6
91.05481	23.6
93.07047	44.6
95.04986	6.7
95.08615	14.2
98.21256	1.6
105.07039	23.0
107.08604	19.7
109.06512	1.4
109.10145	4.6
117.07005	4.5
119.08582	15.3
121.10145	14.2
123.04412	9.6
123.11745	1.6
129.07022	2.8
131.08583	10.2
133.10132	25.7
135.11678	17.2
137.05998	2.3
139.03922	2.0
141.05429	7.2
143.08533	3.2
145.10144	9.3
147.04381	2.0
147.11697	25.2
149.13249	4.8
151.07556	4.1
152.01059	2.4
153.04433	1.0
153.05467	42.7
157.10144	4.6
159.11699	4.5
161.13242	3.8
165.12735	4.2
167.03410	100.0
167.07040	4.8
169.04909	2.7
171.11661	3.1
177.05495	2.1
179.07043	12.0
181.08667	1.6
185.13190	3.0
187.14835	25.9
188.15071	1.6
189.16399	16.4
195.06526	6.3
203.18033	3.8
205.08681	2.0
207.10152	5.2
209.08109	3.7
213.16399	15.8
217.08592	2.4
219.10150	1.9
221.11639	1.8
223.09686	2.8
231.17464	22.4
271.13470	1.5
277.22971	1.7
353.21143	7.0
371.17813	2.5
371.22171	23.5
386.60526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2218
Annotation	Ferocinin
Peak:m/z	Relative Intensity
53.03931	0.5
55.05513	1.8
57.07049	0.5
58.63184	0.4
63.96648	0.3
67.05504	5.1
69.07044	1.2
69.82028	2.1
73.21227	0.4
79.05502	3.7
80.06271	0.6
81.07056	3.0
83.08586	0.5
91.05483	1.8
93.07023	1.7
95.04960	0.6
95.08608	2.3
98.21204	1.2
100.92556	0.3
105.07013	1.0
107.08599	1.0
109.10149	0.5
111.04418	0.4
111.24310	0.4
117.07001	0.5
119.08558	0.9
121.10114	0.7
123.11697	0.3
126.19288	0.4
126.33833	0.3
131.08583	0.5
133.10159	0.5
138.65016	0.4
138.96658	0.4
141.05405	0.4
151.03825	0.6
152.01062	0.5
153.01797	3.0
153.05489	5.7
163.03882	1.5
167.03401	11.5
170.02084	0.5
176.04617	1.4
177.05467	1.0
179.07047	0.8
181.05162	0.4
192.04152	3.0
193.04997	3.4
203.07056	0.7
204.04192	16.6
205.04959	7.5
206.05751	11.1
207.06418	1.4
217.04976	0.8
217.08565	0.8
218.05765	1.2
219.06529	62.7
220.07166	4.4
221.04404	0.5
229.04974	0.7
231.06537	1.3
231.10318	0.4
232.07314	0.9
233.08069	1.7
245.08150	1.9
259.09653	0.9
263.16489	0.8
371.22171	100.0
372.22571	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	371.2216
Annotation	17-phenyl trinor-13,14-dihydro Prostaglandin A2
Peak:m/z	Relative Intensity
53.03943	3.3
55.01851	2.2
55.05507	4.7
63.68230	1.0
65.03915	1.3
67.05505	15.6
68.99796	1.5
69.03428	1.1
69.07063	3.5
70.25648	3.4
70.25992	1.2
79.05496	28.8
81.07058	20.4
83.01346	1.4
83.04967	2.1
89.95132	1.4
91.05487	26.1
93.07045	37.7
95.04959	4.6
95.08607	14.3
95.62624	1.1
97.06560	1.3
98.21115	2.0
99.85995	1.1
105.07033	21.2
107.08601	25.1
109.06521	1.9
109.10189	4.9
117.07016	4.6
119.08581	15.6
121.06545	1.1
121.10134	15.2
123.04427	1.9
125.02432	1.4
125.05982	1.5
128.24341	1.0
129.06999	2.3
131.08565	7.2
133.06490	1.3
133.10132	26.6
135.11696	17.7
137.05988	3.4
141.05484	9.3
143.08618	2.1
145.10129	7.8
147.11696	21.3
149.09660	1.2
149.13249	6.5
151.07547	3.5
153.05469	34.8
157.10153	3.7
159.11682	3.5
161.05991	1.3
161.13242	1.6
165.05429	1.4
165.12758	1.8
167.03404	100.0
167.07062	4.5
168.03674	1.2
169.04990	2.8
171.11678	5.2
173.13286	1.5
177.05472	2.5
179.07037	7.5
185.13171	1.6
187.14832	19.6
189.16399	18.1
195.06561	6.3
203.17964	5.7
205.08627	3.6
207.10199	3.3
209.08101	6.0
209.60373	1.3
213.16389	19.3
217.08604	3.2
219.10194	2.5
223.09676	3.9
231.10136	1.5
231.17458	18.3
353.21017	12.1
371.22156	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	371.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29188	0.9
53.03949	3.2
55.01870	2.0
55.05510	5.0
65.03934	1.3
66.09915	0.8
66.88669	0.9
67.05511	16.1
68.41113	0.9
69.03429	1.3
69.07073	2.7
70.00237	4.7
79.05498	29.2
81.07063	21.1
83.01352	1.9
83.04980	2.6
91.05484	20.1
93.07052	43.6
95.04960	3.0
95.08612	14.4
98.20927	2.2
98.21490	1.1
105.07034	20.7
107.08595	25.1
109.06541	1.4
109.10160	5.1
117.07012	3.6
119.08590	15.9
121.10152	18.1
123.04424	1.3
123.08048	1.1
125.02402	1.6
125.05981	2.2
129.07034	3.8
131.08582	7.2
133.06522	1.6
133.10138	27.1
135.11693	20.4
137.05998	3.6
141.05443	8.3
143.08519	2.4
145.10150	8.3
147.11690	20.1
149.09668	1.2
149.13284	7.4
151.07550	3.4
151.11195	1.9
153.05476	30.2
157.10155	4.1
159.11722	3.5
161.13316	2.5
165.12801	1.7
166.54050	1.0
167.03407	100.0
167.07074	3.6
168.03735	1.9
169.05011	4.0
171.11707	3.9
173.13284	1.2
177.05522	2.9
179.07047	6.4
185.13312	2.2
187.14835	22.6
189.16383	18.0
190.16722	1.0
191.07065	1.1
195.06541	7.1
203.18047	5.9
205.08649	3.2
207.10143	3.7
209.08083	5.4
213.16420	20.0
217.08636	3.4
219.10202	2.8
223.09734	2.9
231.10155	1.1
231.17459	19.6
235.09680	1.2
285.15192	1.0
353.21130	13.6
371.22183	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01971	1.8
53.03937	2.9
54.11758	1.4
55.05499	3.6
57.07065	1.8
67.05506	15.8
68.99789	3.6
69.07068	2.1
69.57455	11.7
79.05070	2.9
79.05495	24.9
81.07063	19.2
83.08580	1.9
91.05482	25.5
93.07053	36.8
95.04968	4.4
95.08602	10.4
98.20821	3.7
98.21444	3.8
103.05488	1.9
105.07040	21.1
107.08591	22.6
109.06552	1.9
109.10157	5.9
117.07020	4.0
119.08580	15.6
121.10151	15.4
123.04420	7.5
124.01570	1.7
129.06992	1.9
131.08606	9.0
133.10143	29.1
135.11700	16.8
136.96657	1.6
137.05977	1.8
139.03918	4.5
141.05429	7.3
143.08566	2.0
145.10117	9.0
147.11687	27.7
149.13278	6.2
151.07547	4.6
152.01062	3.3
153.05470	44.7
157.10114	2.9
159.11671	5.4
161.13239	2.9
165.12723	3.0
167.03407	100.0
167.07025	4.1
168.03706	2.1
169.04883	2.4
170.02162	2.8
171.11670	4.4
173.13264	2.8
177.05482	4.4
179.07053	12.5
187.14822	27.8
189.16359	19.8
195.06438	5.4
203.17975	5.6
205.08586	2.1
207.10159	5.5
209.08064	5.6
213.16393	20.4
217.08711	2.0
217.58609	1.7
219.10187	2.4
223.09633	3.5
231.17470	23.8
287.16791	1.7
353.21143	7.6
371.22055	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05492	1.1
56.05046	1.0
57.03435	1.7
59.79918	0.9
60.74539	1.1
61.02926	1.7
67.05517	2.6
69.03430	3.9
70.94800	1.4
70.95119	1.7
71.04988	5.3
79.05486	2.9
81.03416	3.8
81.07069	2.2
83.04975	2.1
85.02900	9.1
85.06550	3.4
89.06025	5.3
91.05486	3.4
93.07047	2.9
95.04970	100.0
97.02889	4.3
97.06526	1.1
99.04454	19.9
105.07036	2.5
107.04973	1.9
107.08596	3.2
108.90491	1.2
109.06503	2.1
109.10189	2.6
111.08087	1.3
115.05396	1.2
117.07003	1.3
121.06524	1.3
121.10152	2.1
125.05983	1.2
127.03899	2.0
129.07019	1.9
131.08565	2.5
133.08595	1.8
133.10153	4.9
135.08022	2.0
137.05988	11.5
137.09569	1.4
144.05673	1.4
145.10127	1.9
149.09619	3.8
153.09093	27.7
156.05704	4.4
157.06514	1.8
159.08051	2.6
167.07054	5.6
167.10695	2.9
173.13284	2.7
175.07553	2.0
177.05461	2.0
187.07555	2.9
189.01863	1.1
189.06961	1.2
190.07732	1.4
191.10667	1.9
191.14302	2.5
209.15366	26.5
217.08563	9.4
217.51788	1.1
218.07268	1.5
221.09642	1.9
233.09593	2.1
235.07564	1.6
236.08208	1.2
239.06985	1.7
241.08575	1.6
247.07515	1.4
247.09752	2.7
248.08281	1.3
249.09044	3.8
251.06982	1.1
261.09143	2.6
277.08453	2.6
285.00974	1.4
285.07611	2.2
289.08463	1.2
293.11765	3.0
300.09976	3.9
301.10626	1.2
309.11194	2.8
321.11203	3.9
323.09189	1.5
326.11505	2.0
338.07559	1.2
341.13858	1.5
353.13715	5.9
371.15604	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.37189	0.9
55.01860	1.2
55.05502	3.1
61.02920	1.6
65.03924	1.3
67.05494	3.1
69.03434	10.2
69.07056	3.4
70.36868	1.4
70.37215	3.6
71.04987	6.0
79.05486	3.7
81.03426	11.0
81.07075	5.8
83.04974	3.1
83.08633	1.2
85.02913	13.2
85.06556	2.4
91.05437	2.7
93.07035	8.2
95.04974	100.0
95.08592	1.9
97.02905	6.3
97.06503	1.5
99.04465	23.2
100.11259	3.9
105.07042	5.1
107.04965	2.8
107.08615	7.4
109.02871	4.3
109.06523	3.6
109.10160	2.2
111.04455	1.3
111.08092	2.2
115.05499	1.0
117.07072	1.3
119.08576	2.3
121.06519	2.2
121.10120	7.6
123.04418	2.1
123.08019	2.4
123.11806	1.6
125.09608	1.4
127.03934	6.6
129.05496	1.4
129.06999	2.4
131.04965	1.2
131.08577	2.9
133.10141	4.2
135.08063	3.4
135.11655	1.6
137.05997	8.4
137.09636	3.2
145.04921	1.4
145.10121	3.3
147.04425	2.2
149.09647	9.1
149.13232	2.8
151.03900	2.9
151.07547	1.3
151.11180	4.9
153.05453	1.1
153.09120	31.7
156.05748	1.5
157.06445	1.2
159.08044	1.2
159.63261	1.0
161.05994	1.6
163.11198	4.9
165.12794	5.7
167.07083	5.6
167.10661	2.3
172.05241	1.2
173.13277	4.1
175.07625	1.5
177.05452	1.8
181.12273	1.9
182.15390	1.4
187.07547	2.7
191.08702	1.1
191.10638	3.8
191.14322	11.7
193.08479	1.5
205.06566	1.3
207.13831	1.1
209.08113	1.2
209.11986	1.9
209.15372	48.3
210.14896	1.6
217.08633	7.8
219.08092	1.7
219.10217	1.9
221.09859	1.4
227.12828	1.9
233.09624	1.8
235.07399	2.4
236.08228	1.0
247.09636	1.5
249.09158	2.2
250.09952	1.0
251.06796	1.4
261.09235	1.3
263.07034	1.3
264.07419	1.2
277.08566	1.1
281.11560	1.2
282.33282	1.1
285.07419	1.3
289.08884	1.2
293.11728	1.5
307.09610	1.6
309.11057	1.8
339.12250	3.3
353.13861	3.0
362.27328	1.7
371.14673	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63493	8.0
69.03419	11.4
71.04984	7.5
71.14904	16.0
80.19630	7.8
81.07043	13.4
85.02862	9.5
90.58084	7.0
90.58672	7.3
98.21422	8.0
107.04913	10.0
107.08569	21.9
110.84939	8.0
121.10119	14.8
123.04443	7.6
133.10132	100.0
135.08087	15.9
137.09650	54.9
148.06859	7.4
149.13194	9.6
166.48940	7.7
191.14294	47.2
194.75803	7.2
209.15297	17.6
353.13538	12.3
371.14636	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05508	2.6
59.04972	1.3
60.39737	1.0
61.02913	1.3
63.36964	1.1
67.05492	2.4
69.03425	6.4
69.63889	2.2
69.64292	5.1
71.04984	4.1
73.02911	1.3
81.03416	2.1
81.07041	4.3
83.04988	5.4
83.08620	1.6
85.02907	8.6
85.06541	1.8
89.15595	1.2
91.05441	1.7
93.07016	2.0
95.04974	100.0
95.08615	3.9
96.05289	1.6
97.02877	1.9
97.06539	2.3
98.20700	1.5
98.21296	3.6
99.04456	22.5
103.05457	1.0
105.07038	2.4
107.04987	1.8
107.08609	6.6
109.06519	2.3
109.10164	3.6
110.10827	1.1
111.08073	1.7
115.07605	1.6
121.10126	4.9
127.03922	2.2
131.08543	1.8
133.10153	5.4
135.08078	2.3
137.05975	2.8
137.09575	1.7
139.11195	1.6
145.04964	1.4
145.10022	1.6
147.11671	1.9
149.09583	1.9
149.13264	3.2
151.11198	9.4
153.09109	27.8
156.05714	1.3
163.11227	1.2
163.14694	1.1
167.07045	3.2
167.14322	1.2
173.13260	3.8
181.12288	1.2
187.07565	1.3
191.14307	10.3
209.15378	31.4
217.08641	3.4
242.09300	1.2
249.09033	2.3
251.07077	1.3
264.07867	1.8
293.11646	1.3
296.97998	1.5
307.09546	1.4
321.11322	2.0
339.12204	4.1
353.13858	2.2
356.36246	1.3
371.14856	7.8
371.19357	1.1
378.15176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.2
69.03432	5.2
69.07080	1.8
70.69980	1.5
70.70313	1.7
73.32835	0.8
79.05475	3.5
81.07057	5.4
83.04956	0.8
83.08639	1.0
85.02895	2.1
91.05470	4.0
93.07024	2.2
95.08617	1.5
98.20847	0.9
105.07053	5.2
107.08604	13.8
109.02859	1.1
109.06523	5.3
109.10161	5.5
115.05423	2.5
117.06964	1.8
119.08565	2.3
121.06519	1.0
121.10144	10.4
122.07268	3.6
123.08067	0.8
131.08562	1.4
133.10138	100.0
134.10464	2.0
135.08075	12.2
137.09630	53.3
145.10129	1.0
147.11700	1.6
149.09674	0.9
149.13281	12.5
151.11189	1.4
152.04234	1.0
163.14807	2.7
165.12720	1.9
173.13353	5.6
191.14311	36.4
209.15367	10.6
368.91528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
57.03438	2.5
61.02918	3.4
67.05492	2.6
69.03439	11.6
69.07045	1.7
69.95676	1.5
71.04984	1.9
71.28056	4.0
79.05487	2.4
79.39933	1.6
81.03405	6.5
81.07034	3.8
83.04984	2.6
85.02425	2.1
85.02910	29.0
85.47111	1.5
91.03963	1.7
93.07056	2.2
95.04968	4.1
95.08592	3.9
97.02897	8.5
98.20854	2.2
105.07024	3.5
107.08589	6.9
109.06491	5.1
117.69401	1.7
119.08588	4.5
121.10127	11.2
123.04439	1.4
123.08044	2.9
123.11684	1.9
127.03909	4.5
133.10121	2.8
137.09607	8.6
145.04974	3.1
147.11787	2.0
149.09610	6.5
149.13260	6.4
151.11217	10.3
165.12772	39.5
191.14287	14.9
209.15372	100.0
210.15601	3.2
278.25812	1.5
289.84628	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.4
55.21505	7.7
58.18951	8.6
67.05491	9.3
68.18196	8.8
69.03426	22.7
79.05476	14.5
81.03423	17.5
81.07053	13.8
83.04990	9.0
84.19966	6.6
85.02917	18.0
91.05451	15.8
93.07043	27.4
95.04971	47.9
97.02917	20.0
97.06463	9.1
98.20851	29.7
98.21535	13.7
99.04475	14.6
103.05479	11.6
105.07035	34.5
107.04959	15.2
107.08611	20.0
109.02840	13.2
109.10155	8.8
117.06985	10.7
119.04962	8.2
121.06514	14.2
121.10123	14.7
127.03931	10.4
129.07069	13.7
131.04944	9.2
131.08572	18.7
133.10143	26.7
135.08041	16.2
137.05975	65.1
137.09607	18.0
144.05730	9.1
145.10124	10.3
147.04440	10.9
147.11699	10.7
149.09645	10.6
149.13280	10.8
151.03903	9.6
151.07535	9.8
153.09126	16.9
156.05685	17.7
157.06436	9.2
159.08113	12.8
160.05225	8.1
161.05956	11.6
163.11177	16.5
165.12732	8.7
167.07027	41.9
173.13295	11.9
175.07478	11.3
181.05078	11.2
187.07574	17.4
189.09148	11.1
191.07048	16.1
191.14301	42.8
207.08131	8.9
209.15334	57.1
217.08588	65.7
218.07344	13.4
219.08086	13.3
221.09578	10.6
223.07573	9.9
231.08167	9.1
233.09616	13.0
234.06853	13.0
235.07613	19.1
247.09738	13.6
248.08261	9.9
249.08963	18.9
251.07074	10.2
252.07941	12.7
261.09161	28.9
262.06024	8.6
263.07034	18.0
264.07690	10.4
265.08530	15.0
277.08621	18.7
278.09378	13.2
279.06598	7.3
279.10211	9.4
285.01062	8.5
285.07513	10.1
293.08380	8.3
293.11789	23.2
296.10608	10.7
301.10519	9.3
307.09616	12.9
308.10321	8.3
309.11249	18.7
313.10898	9.1
321.11316	20.7
322.11780	10.9
326.11414	20.9
327.12152	18.3
339.12326	37.6
340.12820	9.0
341.13562	9.9
353.13904	27.1
371.11252	14.2
371.14984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1854
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
53.03936	1.8
55.01873	3.5
55.05506	4.8
57.03412	1.6
57.07051	1.0
61.01678	1.0
62.74286	1.0
67.01854	2.7
67.05504	10.7
68.99792	2.9
69.03416	1.8
69.07060	2.3
70.18613	3.8
79.05499	15.0
81.03400	1.1
81.07059	19.1
91.05486	19.1
91.06007	1.6
93.07051	15.8
95.04964	3.7
95.08602	8.6
97.02904	1.2
97.06562	2.2
98.21117	2.9
101.38862	1.0
103.05520	1.6
105.07030	17.7
105.07681	2.1
107.07982	1.0
107.08607	7.4
108.45425	1.1
109.06536	2.2
109.10164	4.9
117.07029	6.0
119.08583	21.0
121.10149	3.9
123.04450	3.0
123.11720	1.4
127.03913	7.2
128.06238	1.9
129.07018	3.1
131.08598	6.4
133.10130	12.1
135.11697	3.2
137.05943	1.7
139.03906	4.7
141.05482	3.9
143.08556	7.5
145.10104	4.8
147.08022	1.7
147.11711	4.1
151.03920	1.3
153.01837	100.0
153.05447	3.9
154.02177	1.4
155.08574	1.5
157.10168	4.7
159.11699	7.1
161.13263	14.8
163.03935	2.5
165.01878	1.3
165.05446	1.9
167.03442	8.2
170.10794	1.4
171.02864	2.3
171.11798	1.7
175.14818	4.4
177.05479	1.8
179.03416	3.7
181.04982	2.4
185.13271	21.2
187.14897	1.9
189.05447	1.3
189.16414	2.1
191.07047	2.2
192.04219	4.0
193.04971	2.8
195.02946	1.6
199.14786	3.5
201.16385	9.1
203.07108	1.8
203.14348	8.6
205.04967	81.5
206.05632	1.4
213.16318	1.2
217.04933	1.9
217.15834	1.4
219.06467	5.0
219.17398	2.1
227.14323	4.8
231.06563	15.0
231.17447	2.0
233.08081	2.5
245.08131	3.1
245.15486	4.8
249.07628	6.6
260.91641	1.2
263.09058	2.9
273.11292	3.4
325.17944	1.9
335.16373	6.7
353.17465	43.4
371.18509	25.0
371.22321	2.7
372.19220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.3
53.03936	4.5
55.01869	9.5
55.05523	9.7
57.07050	2.2
59.41754	2.1
67.01838	1.9
67.05509	28.8
68.99789	4.3
69.03415	7.0
69.07063	4.6
69.25165	21.0
71.04988	6.9
73.04736	2.7
77.86691	1.7
78.85546	1.7
79.05496	36.0
81.03415	3.6
81.07060	24.1
83.04971	5.7
83.08624	3.0
91.05475	54.1
93.07049	34.4
95.04362	2.9
95.04971	55.3
95.08617	12.9
97.06538	5.0
98.21110	10.0
99.04439	6.0
103.05463	3.9
105.07039	38.7
107.04950	4.8
107.08600	15.4
109.02866	3.5
109.06527	6.7
109.10138	4.8
111.00800	3.1
111.04441	5.3
115.05444	6.2
117.07027	25.6
119.08591	28.9
121.06507	32.7
121.10137	10.8
123.04422	3.5
123.08035	6.5
124.09142	2.1
125.05967	3.8
127.03926	22.4
128.06216	7.2
129.05490	2.7
129.07016	19.8
130.56332	2.0
131.08582	19.5
133.06511	26.8
133.10138	11.7
135.08069	17.7
135.11673	4.8
137.05963	8.1
137.09601	4.8
139.03911	27.2
141.06984	6.4
142.07773	4.6
143.08562	18.0
145.06445	6.5
145.09013	3.6
145.10114	30.2
147.08070	19.2
147.11696	14.4
149.09572	3.9
149.13261	3.4
151.07567	3.8
153.01839	100.0
153.05461	6.4
155.03452	2.8
155.07040	6.8
155.08540	3.9
157.10153	10.1
159.11684	6.6
160.06349	2.0
161.09569	9.8
161.13235	7.3
163.03906	6.4
163.07561	2.5
163.11151	6.9
165.05498	10.0
165.06805	2.2
167.07039	6.9
167.08531	3.6
169.10129	8.3
171.08116	2.2
171.11676	5.9
175.07462	2.5
175.11176	5.4
177.05495	7.5
179.03392	5.2
179.06993	5.5
181.04979	15.6
183.11685	2.9
185.09657	3.0
185.13226	20.3
187.11192	15.2
189.12743	3.2
191.06998	4.3
193.08662	3.5
195.06587	5.5
199.14812	4.3
201.05562	3.7
201.12604	2.8
203.07138	3.1
203.14337	19.6
205.04910	3.5
205.08519	2.7
207.02892	3.4
209.04425	4.6
209.13263	6.9
217.05031	2.1
217.08809	4.1
217.15924	4.2
227.14262	17.5
245.15366	19.2
247.04424	1.9
271.13254	3.4
273.11276	2.3
295.13000	3.4
311.16373	2.8
313.14594	2.1
329.17401	4.3
335.16348	3.0
353.17523	10.9
371.14371	2.8
371.18457	22.7
371.22330	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	371.1856
Annotation	CHEBI:70591
Peak:m/z	Relative Intensity
51.02358	1.2
53.03933	2.9
55.01872	2.1
55.05526	6.0
57.03189	0.9
57.03438	12.4
57.07072	2.1
65.03923	1.8
67.01847	1.5
67.05177	1.2
67.05508	21.6
68.99793	2.3
69.03422	2.2
69.07058	2.9
69.26341	0.9
71.04992	1.6
71.08628	1.2
73.83083	1.0
79.05066	1.8
79.05498	25.5
81.03410	2.2
81.07065	17.7
83.01332	1.7
83.04956	4.1
83.08620	1.2
85.06531	1.3
91.04955	1.8
91.05471	20.4
93.07053	16.8
95.04975	5.8
95.08606	8.0
97.02874	1.4
97.06483	1.4
97.10133	1.5
98.20847	4.8
98.21532	1.9
105.03365	1.2
105.07045	13.9
106.07343	1.2
107.04939	3.3
107.08602	15.3
109.06553	2.6
109.10142	4.2
111.00757	1.4
111.04399	1.9
113.22903	1.2
114.99166	1.1
115.05429	1.2
117.07004	5.3
119.08592	10.1
121.06466	2.4
121.10158	6.0
123.04385	1.8
123.11726	1.2
125.09608	1.3
127.03861	2.6
128.06276	1.5
129.05440	1.4
129.06981	3.3
131.08566	8.4
133.06500	1.8
133.10132	8.0
135.08037	1.7
135.11697	4.9
137.05948	3.8
137.13191	1.0
139.03874	4.7
141.05429	3.3
143.08585	2.6
145.10120	5.4
147.06485	2.2
147.08040	1.9
147.11748	5.5
149.02301	1.0
149.09622	1.4
149.13297	1.7
151.03859	2.1
151.07503	1.3
153.01836	44.3
153.05457	9.9
155.07060	5.5
157.10153	1.9
159.11670	2.0
161.09590	2.4
161.13275	3.3
163.03894	3.6
163.07582	1.2
165.09013	1.3
167.03409	20.0
167.07091	5.2
169.08588	1.7
169.10100	1.0
171.02763	1.2
171.11671	2.1
173.09637	1.9
173.13249	1.9
175.14893	1.3
177.01859	2.8
177.05489	3.2
179.03406	6.1
179.06976	1.1
181.04929	4.0
183.11635	1.5
185.09642	1.3
185.13219	3.2
187.07524	1.6
187.14726	2.6
187.72733	1.3
189.05420	2.7
189.16406	2.6
191.07001	3.3
192.04233	9.6
193.04974	4.0
193.08655	1.4
195.06523	2.2
203.06976	3.3
203.14284	3.1
205.04970	47.6
206.05588	2.3
213.16344	1.4
217.04912	5.8
217.08591	2.6
219.06480	3.5
221.07904	1.4
229.15852	1.4
231.06541	41.6
231.10109	1.7
231.17397	5.7
233.08026	1.8
245.08078	4.9
261.11148	1.5
263.12778	2.8
269.11633	1.3
287.12726	1.2
287.16232	1.4
299.12729	2.7
301.14435	1.8
309.14743	1.4
315.15894	13.5
353.17273	2.5
353.21039	6.3
371.18430	100.0
371.22290	10.9
372.18710	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	371.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01866	4.4
55.05513	7.4
65.03936	2.5
67.05504	24.3
68.99787	5.6
69.03425	2.2
69.07049	3.7
69.77497	9.9
71.83490	2.3
74.57104	2.2
75.80406	2.1
79.05494	28.0
81.03419	3.7
81.07063	26.6
83.08601	2.5
91.05474	31.0
93.07050	29.1
95.04971	9.6
95.08627	13.9
97.06530	3.0
97.10172	2.2
98.20841	4.6
98.21391	3.6
103.05484	2.3
105.07027	58.5
107.04928	4.3
107.08595	16.9
109.06541	2.5
109.10161	3.3
117.07040	13.7
119.04980	2.4
119.08595	29.0
121.10151	10.9
123.04409	14.1
127.03899	9.2
129.06979	9.6
131.08557	17.2
133.10135	46.7
135.08086	2.2
135.11667	8.4
137.05983	9.3
139.03929	11.5
141.05438	11.3
141.06813	2.5
143.08546	8.4
145.10127	11.6
147.04326	2.2
147.11665	18.4
149.13219	4.4
151.03896	2.5
151.07576	8.0
153.01826	100.0
153.04305	4.1
153.05463	62.9
155.07063	4.6
157.10138	9.1
159.11671	9.9
161.05869	2.1
161.13260	13.7
165.01823	2.4
165.12726	2.1
167.03403	50.3
167.07048	9.1
169.04979	7.3
169.10139	2.2
171.11684	10.0
173.13292	5.4
175.14792	4.6
177.05461	3.8
178.26222	2.6
179.03419	5.5
179.07034	17.4
181.05035	2.5
183.11665	2.3
185.13272	26.7
187.14827	15.2
189.16385	7.7
191.07138	2.7
191.10634	2.2
192.04156	4.0
193.04958	2.2
195.02890	2.4
199.14850	3.1
201.16431	9.6
203.14310	8.9
205.04956	67.8
205.08713	2.8
207.10110	5.0
213.16418	25.9
217.05057	3.1
217.15865	2.3
219.06529	3.7
227.14227	4.6
231.06592	11.1
231.17456	11.0
245.07950	3.4
245.15392	4.2
249.07516	6.8
273.11249	3.7
335.16382	5.4
353.17444	41.1
353.21201	4.2
371.18353	26.1
371.22208	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03955	1.9
53.89027	1.4
69.92945	6.4
74.62653	1.6
79.05458	4.8
81.03418	2.3
81.07050	3.4
81.96529	1.5
83.04956	2.3
85.02899	4.2
85.24397	1.7
91.05475	4.5
93.07030	5.2
95.08614	3.3
97.06532	3.2
98.20893	3.3
98.21472	2.9
103.05496	2.7
105.07018	5.2
107.04943	7.2
107.08598	7.7
109.06501	5.0
109.10157	2.2
111.04429	1.9
113.06671	1.5
115.05486	2.6
119.04922	2.8
119.08582	2.9
121.06515	1.5
121.10114	3.7
128.06218	2.4
129.06984	3.7
129.90894	1.5
131.04932	3.7
131.08519	3.0
133.06435	1.6
133.10143	1.7
135.08134	2.6
137.05956	10.4
141.06944	2.5
145.10112	2.6
147.04414	2.3
149.09541	2.1
151.03928	2.2
151.07542	5.8
153.01784	1.6
153.05434	3.7
153.07025	2.5
157.06519	1.8
159.08055	3.3
161.06039	2.6
161.09639	7.2
163.07616	1.7
163.11198	3.1
165.07033	4.5
166.07777	3.2
167.07048	12.0
167.08502	3.7
174.06828	3.1
175.07529	6.0
175.27679	1.8
177.05412	2.2
177.09206	1.8
178.07770	4.8
179.08569	4.2
181.05049	2.3
181.06531	6.3
182.07228	1.7
183.08038	1.7
187.07527	2.5
189.07082	2.6
189.09125	4.0
191.07045	2.4
191.08580	3.8
193.06497	3.1
194.07362	4.1
195.08075	7.4
196.08791	3.7
197.05939	3.2
197.09619	2.3
199.07521	3.9
203.08636	2.4
205.06544	4.4
206.07266	5.0
207.08112	7.6
208.08844	2.9
209.05951	7.1
209.09595	4.1
209.15350	3.5
210.06729	2.3
211.07547	5.7
213.05360	2.7
215.08609	1.7
217.08646	9.0
218.07320	4.3
219.08063	6.0
219.10124	3.9
221.06061	7.9
221.09714	3.2
222.06757	6.1
223.07533	10.2
223.11124	1.7
224.08324	10.5
225.09138	6.4
226.06203	3.3
231.08304	2.3
232.08818	3.4
233.05988	1.9
233.09633	6.1
234.06793	5.2
234.10272	2.5
235.07484	9.9
236.08237	4.4
237.05501	7.3
237.09111	8.4
238.06314	2.8
238.09857	2.7
239.07080	4.4
239.10672	4.0
240.07803	1.9
241.08658	13.8
247.07626	3.4
249.05440	1.8
249.09091	15.6
250.06268	4.3
250.09921	5.2
251.07050	15.6
251.10629	3.5
252.07817	44.9
253.08592	12.1
255.10249	2.3
256.07471	4.2
257.11777	3.7
261.09174	5.1
263.07025	6.8
264.07919	8.0
265.05084	3.8
265.08643	17.8
265.12198	2.7
266.09317	11.7
267.06528	3.5
267.10226	16.7
268.10962	5.6
269.08099	11.4
277.08606	7.3
278.09433	10.0
279.06641	4.8
279.10239	7.0
280.07394	16.1
281.08115	11.3
281.11472	3.6
282.08963	3.1
283.09689	4.8
284.10406	12.5
285.11209	25.0
289.08673	2.4
291.10193	2.1
293.08127	9.9
293.11758	14.3
294.08820	5.0
295.06296	3.1
295.09634	27.3
296.10461	31.4
297.07736	4.5
297.11267	15.7
299.12839	3.7
300.10019	2.1
306.08826	5.1
307.09604	4.0
309.08139	1.9
309.11133	8.1
310.11993	5.4
311.09164	6.5
311.12805	13.5
312.09982	9.3
312.13199	2.9
313.10699	6.7
321.11252	16.0
323.09222	3.5
324.09836	4.5
325.10715	10.3
325.14349	4.4
326.11411	3.2
327.12283	48.2
328.12976	9.7
339.12296	100.0
340.12964	7.7
341.13770	5.3
343.15424	21.0
353.13782	13.4
371.14923	93.9
371.21957	2.7
372.15356	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	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
54.67992	2.0
55.00484	2.0
55.01877	3.3
57.03452	4.3
59.05006	100.0
61.02911	7.4
68.15728	2.3
69.03084	2.1
69.03436	35.8
70.96680	5.0
71.04985	5.2
73.02914	2.5
77.06027	5.0
81.03049	1.8
81.03419	19.7
85.02911	77.4
86.09641	1.9
87.04474	23.4
97.02899	83.5
97.06441	1.7
99.04443	6.7
100.56509	1.9
101.00655	2.2
103.73664	1.8
105.04844	3.3
105.05512	42.0
108.04467	3.2
109.02872	26.6
117.31944	1.7
119.04936	2.4
127.03922	64.3
127.46647	2.1
140.59033	1.9
145.04965	53.7
147.04402	8.6
163.06013	5.0
185.08093	8.2
190.03230	25.2
190.08519	2.1
206.11710	4.2
208.04210	2.4
213.07626	3.2
220.11786	2.3
221.10168	3.0
225.43587	2.0
231.08609	29.7
238.13033	3.6
249.09773	12.4
253.32164	2.0
268.31638	2.0
319.60052	2.1
370.09384	6.1
371.00153	3.3
373.49484	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93822	6.5
53.03938	8.0
56.96565	12.8
57.03429	14.7
61.02915	16.1
69.03431	55.6
69.44181	21.7
69.44599	37.5
71.04999	10.8
73.02915	32.8
81.03408	18.1
85.02899	93.8
97.02904	53.9
98.20888	21.8
98.21557	11.2
98.97588	52.6
99.04448	17.0
109.02857	9.6
110.97578	16.0
111.29910	7.1
116.98594	16.8
119.01894	30.5
121.01666	21.0
127.03890	34.8
131.01842	12.6
137.05959	9.2
138.28387	7.7
142.03790	8.0
143.01807	11.7
145.01624	9.6
145.04970	19.6
146.99637	11.7
153.01848	100.0
154.02220	18.5
158.99625	17.0
161.01143	8.7
161.02914	16.8
163.02689	6.9
167.06990	8.1
170.99649	13.3
173.02882	12.2
175.02769	8.1
175.04489	7.3
177.00703	15.9
182.03413	9.1
185.02924	11.0
186.82591	7.6
189.00800	10.1
191.02339	14.9
191.03897	38.8
191.08171	14.5
200.04451	59.6
201.02412	8.0
209.04922	16.6
209.09193	18.4
216.02170	7.3
219.01817	13.8
223.04672	9.6
237.02834	19.6
241.05592	8.8
245.05060	15.8
246.05762	9.2
251.04419	13.7
255.03848	9.1
272.06519	15.1
277.03427	10.7
281.07187	50.3
369.13116	7.5
371.07257	37.9
371.16324	20.9
386.99234	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	371.1491
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03949	2.3
55.01873	2.4
55.05495	2.0
65.03934	1.4
66.26746	1.4
67.05486	3.6
69.03441	3.4
69.07081	2.9
69.45000	8.8
71.04986	2.5
79.05489	6.3
81.03429	8.1
81.07058	7.3
85.02909	5.2
91.05505	5.8
93.07062	7.9
95.04984	2.9
95.08611	5.6
97.02876	2.1
97.06548	1.4
98.21272	4.8
99.04471	1.8
103.05473	1.7
105.07019	8.3
107.04962	7.4
107.08578	6.8
109.02864	2.6
109.06532	3.0
109.10159	2.7
111.04442	1.8
115.05509	2.4
117.07056	3.2
119.04971	3.3
119.08551	3.1
121.06522	4.4
121.10153	2.9
123.04447	2.2
123.08061	3.4
123.11703	2.9
125.06023	2.6
127.03860	1.3
128.06184	2.3
129.07060	1.3
131.04936	4.4
131.08542	2.4
133.06525	3.3
133.10129	4.3
134.10422	1.7
135.08064	5.0
135.11656	2.1
137.05998	9.4
141.06967	2.2
144.05730	1.8
145.04858	1.3
145.10112	3.8
146.07162	1.5
147.04387	3.0
147.11818	1.4
149.09604	2.2
151.03847	7.5
151.07530	9.3
151.11304	1.4
153.05489	2.1
153.07048	1.8
155.08640	1.9
156.05710	1.9
157.06519	1.9
159.08069	3.6
161.06003	5.9
161.09592	7.6
163.07597	3.0
163.11224	4.2
165.05595	2.7
165.06998	4.7
165.12848	2.2
166.07727	1.3
167.07071	13.8
167.08464	2.9
173.13359	1.5
175.07562	8.8
177.05592	3.3
178.07785	4.7
179.08588	5.7
179.10622	1.6
181.05052	2.5
181.06528	6.5
182.07338	1.8
183.08144	1.7
185.09679	1.3
187.07545	4.0
189.06972	2.8
189.09135	4.0
191.07036	3.5
191.08653	2.5
191.10690	4.0
191.14320	4.1
193.06462	3.3
194.07300	4.7
195.08130	6.4
196.08807	2.3
197.05968	1.5
202.07883	2.4
203.08546	1.9
205.06534	4.1
206.07355	4.4
207.08156	7.7
208.08731	3.0
209.06013	5.8
209.09615	3.6
209.11629	1.9
210.06689	2.9
211.07585	5.6
212.08327	2.4
213.05371	1.7
213.09119	3.3
217.06731	1.4
217.08643	5.0
218.07321	4.3
219.08072	6.7
219.10219	5.9
220.05241	1.9
220.08929	1.7
221.06059	7.2
221.09669	3.3
222.06703	6.3
223.07504	9.8
224.08363	10.4
225.09160	5.8
226.06235	2.6
231.08099	2.7
232.08818	1.6
233.06094	1.4
233.09761	3.1
234.06721	4.0
235.07559	14.5
236.08279	6.2
237.05519	7.5
237.09065	6.4
238.06313	2.4
238.09834	2.3
239.07040	5.5
239.10713	5.3
240.07693	2.2
241.08531	10.5
246.06865	1.5
247.07605	3.7
248.08345	2.8
249.05629	2.9
249.09164	13.3
250.06317	4.7
250.09946	4.9
251.07112	11.1
251.10648	3.8
252.07826	38.8
253.08633	11.1
254.05788	2.8
255.10165	1.7
256.07285	4.4
257.11743	4.8
260.08423	2.4
261.09174	5.7
263.07053	8.2
264.07886	7.7
265.05170	2.4
265.08643	17.2
265.12250	2.7
266.09335	11.6
267.06418	2.4
267.10196	12.0
268.07025	1.4
268.10989	5.9
269.08136	10.8
269.11719	3.6
275.10577	1.6
277.08551	7.3
278.09296	10.3
279.06604	4.6
279.10165	8.2
280.07373	14.4
280.10654	3.0
281.08096	10.5
281.11444	3.0
282.08853	4.7
283.09509	7.0
283.13126	1.4
284.10428	10.3
285.11227	22.1
289.08624	2.3
291.09753	1.5
292.07315	2.0
293.08200	6.3
293.11801	11.1
294.08813	4.3
295.06277	3.2
295.09625	25.9
295.12866	1.8
296.07126	2.2
296.10413	28.2
297.07700	5.4
297.11249	13.3
299.12805	4.1
301.03375	1.9
306.08914	3.5
307.09781	5.2
308.10269	1.9
309.07748	2.0
309.11197	5.3
310.08606	2.6
310.12006	4.3
311.05960	1.4
311.09241	6.0
311.12814	18.4
312.09888	7.6
312.13095	2.9
313.10721	6.0
321.11295	17.1
322.11829	2.2
323.09128	4.5
324.10065	2.0
325.10715	9.7
325.14319	3.3
326.11432	2.8
327.12289	42.2
328.13074	8.3
338.11304	3.1
339.12296	100.0
340.12988	9.9
341.13846	3.4
343.15417	24.9
353.13861	11.9
371.07495	5.6
371.14926	90.4
372.15280	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	370.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.4
69.03419	3.7
69.03801	1.3
71.56883	1.6
73.04743	1.9
81.03419	1.9
85.02895	5.1
91.05796	6.1
97.02862	3.0
109.02834	2.6
113.03489	1.9
116.46941	1.3
118.06548	1.5
127.03916	3.3
128.04970	4.9
130.06522	2.7
132.08095	1.9
136.99034	1.3
146.06018	100.0
147.06349	2.4
150.05524	1.7
153.01852	4.1
158.06046	3.8
160.07552	5.0
177.72105	1.3
188.07062	13.0
190.05042	8.9
207.74356	1.5
208.06039	4.3
212.07114	3.1
268.98068	1.3
285.00830	2.0
299.47974	1.4
303.01355	2.3
340.31049	1.3
355.07053	3.3
378.93936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97746	0.8
57.03424	1.3
62.79822	0.8
67.05518	1.0
69.03422	2.3
69.45073	6.7
70.77950	0.8
71.04995	22.9
73.02915	0.9
81.03445	1.0
85.02914	6.4
91.05496	1.7
95.04962	3.7
97.02892	3.9
98.20746	1.7
99.04431	1.3
102.71969	0.9
105.06985	0.9
106.02931	1.5
109.02904	1.2
113.06018	19.6
119.04933	2.8
124.03960	2.1
127.03854	1.6
127.07535	1.5
131.07042	31.4
139.98204	0.9
145.04938	2.5
145.08604	100.0
146.08971	0.9
147.04414	10.6
153.09076	1.5
173.08110	10.9
180.08681	1.4
184.68170	0.8
191.09164	14.3
193.12413	0.9
209.15369	1.0
218.08142	1.6
335.79605	1.1
352.10104	1.6
370.64868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.01858	1.3
55.05506	5.9
57.07070	1.6
59.12484	0.8
65.03925	1.7
65.68566	1.0
67.05167	1.7
67.05505	26.1
69.07068	4.8
69.49904	1.0
77.65230	0.9
79.05500	19.5
81.06577	2.1
81.07058	36.5
83.01347	3.5
83.04991	2.1
83.08620	1.5
91.05482	21.6
93.07049	17.4
95.04967	2.9
95.08610	29.9
98.20994	5.6
104.33414	0.9
105.04511	1.0
105.07041	15.6
107.08595	8.3
109.06525	1.3
109.10163	5.8
109.10818	0.9
109.68945	0.9
111.08073	1.8
115.05457	2.1
116.73226	0.9
117.07027	9.5
119.08578	12.2
121.06480	3.6
121.10159	8.2
123.08107	1.3
123.11745	2.1
124.05223	1.4
128.06221	1.6
129.07011	2.7
131.08566	20.4
133.10132	10.3
135.08046	2.7
135.11703	6.1
135.12560	1.0
137.06052	2.6
137.13266	5.2
139.07556	10.8
141.05481	2.0
143.08562	3.4
145.10126	16.1
147.08054	2.0
147.11681	6.1
149.05971	1.6
149.09537	1.2
149.13242	4.5
151.07552	13.6
153.05469	6.8
155.07048	2.9
155.08574	1.5
157.10152	3.2
158.10886	1.2
159.11719	11.2
161.09679	1.6
161.13264	3.0
163.07533	2.1
163.14812	1.7
163.91882	1.0
165.05499	1.8
165.09134	1.5
167.03381	8.0
167.07043	100.0
168.07355	1.5
169.10107	1.4
171.11697	2.6
173.09659	1.2
173.13301	7.2
175.07582	5.2
175.11186	1.4
175.14847	1.3
177.05548	2.4
177.09138	2.3
177.16373	2.2
179.07076	3.5
181.05092	1.4
181.08647	1.6
183.11708	1.6
185.13319	1.1
187.11166	1.8
187.14830	5.7
188.08264	1.4
189.05542	1.4
189.09102	1.4
189.12741	1.2
189.16373	8.1
191.07028	29.0
191.18044	2.2
193.08601	7.3
195.10161	1.1
199.11128	1.2
201.09154	1.2
201.16339	1.2
203.10600	1.3
203.17961	2.1
204.07928	2.3
205.08536	5.1
205.12315	2.8
208.79828	1.1
211.14804	1.1
215.10617	2.2
215.17958	31.1
217.08521	6.8
219.10153	8.2
221.11646	1.3
227.10866	1.1
229.12318	1.3
229.15863	2.4
230.09465	1.4
231.10165	32.1
232.10951	3.1
233.11725	19.5
243.10187	3.1
244.11119	1.6
245.11740	15.3
247.13341	3.2
257.11792	4.3
258.12491	2.3
259.13278	2.7
261.14896	1.1
271.13315	6.1
273.14905	3.4
273.18518	1.7
285.14816	2.0
287.16373	7.5
301.17950	6.5
332.52527	1.2
338.73801	1.0
351.23218	1.6
369.20682	5.5
369.24286	84.1
370.24512	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	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.35816	1.2
54.18249	1.3
55.05516	8.3
57.07067	3.3
65.03945	3.0
67.05167	2.3
67.05507	32.3
68.99783	5.0
69.07059	5.8
69.78996	7.1
79.05489	18.5
81.07060	28.8
83.05019	1.7
83.08607	5.4
91.05492	19.6
93.07056	17.8
95.04965	2.7
95.08047	2.7
95.08609	36.8
97.10139	2.1
98.20852	2.3
98.21460	3.1
105.07021	14.6
107.04939	3.6
107.08598	7.7
109.10162	12.8
109.95717	1.2
111.00794	5.7
111.04430	3.0
116.06203	1.6
117.07018	9.1
119.08595	10.5
121.06519	2.9
121.10139	11.1
123.04414	9.0
123.11713	3.7
129.07030	2.6
131.08595	15.9
133.10144	8.1
135.08003	1.4
135.11694	3.0
137.05968	6.2
137.13281	2.7
139.03909	100.0
139.07513	2.8
141.05342	1.8
143.08563	2.3
145.10149	10.0
147.04364	1.6
147.11691	6.6
149.05978	2.4
149.13269	3.4
151.07518	3.7
153.01889	1.6
153.05521	2.7
157.09987	1.5
159.08017	2.5
159.11719	9.6
161.06053	1.6
161.13286	3.6
163.03909	23.7
165.05527	7.5
165.16357	1.7
167.03372	7.8
167.07060	27.2
168.03786	1.9
173.13231	4.4
175.07535	2.9
175.14786	1.8
177.05441	5.8
177.09108	2.5
177.16429	1.6
179.06908	2.4
185.13274	1.6
187.14870	3.5
189.05460	4.9
189.09033	2.1
189.16411	2.6
191.07066	11.6
191.17990	2.8
193.08684	2.4
201.16400	1.5
203.05229	2.2
203.07019	19.4
204.07619	1.5
205.08603	17.1
211.14926	1.9
215.18025	7.8
216.07567	1.6
217.08624	15.9
217.19493	9.1
219.10139	6.7
220.06891	1.8
221.06908	2.0
229.08514	2.2
229.15907	1.6
230.09351	1.7
231.10194	7.7
231.21086	4.8
233.11725	4.3
243.10202	7.3
243.21126	19.0
244.10898	1.8
245.11810	5.0
257.11746	4.1
258.12558	2.2
271.13293	1.6
273.14853	2.2
285.22104	3.2
287.16455	6.6
301.17889	5.8
351.23111	3.5
369.20233	6.2
369.24243	72.6
369.42563	2.1
370.24594	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.05515	7.8
57.07067	2.3
65.03944	1.7
67.05509	17.3
69.07059	3.3
70.19822	1.0
71.57771	1.2
79.05496	18.1
80.94530	0.8
81.07060	13.9
83.01315	2.0
83.08586	1.7
90.95882	0.8
91.05486	10.3
93.07057	14.3
95.04975	1.5
95.08618	9.1
102.97841	0.8
103.97498	0.9
104.22513	0.8
105.03418	1.4
105.07011	6.6
107.08603	6.0
108.30234	0.8
109.10151	2.6
117.07014	2.1
119.08601	2.7
121.10133	4.4
125.05923	0.9
129.07013	1.6
131.08571	3.7
133.06499	1.9
133.10167	1.1
137.06033	1.2
141.05441	1.1
143.08568	0.9
145.06459	1.2
145.10158	3.0
147.11729	1.5
151.07521	1.1
153.05473	6.6
159.11656	1.6
163.14867	2.9
165.05499	0.9
167.03409	47.8
177.05458	2.7
179.03441	1.3
181.04900	1.9
187.14848	3.7
191.06999	1.9
193.04967	8.9
195.06497	0.9
203.07001	1.6
205.05002	2.5
206.05762	15.4
206.07576	1.3
207.06410	1.7
217.05084	1.9
217.08598	1.8
219.06538	100.0
220.07204	5.5
221.07368	1.1
227.07199	1.0
229.08748	1.0
231.06544	5.2
232.07233	1.6
233.08209	4.7
243.06654	1.6
245.08104	21.0
246.08398	1.0
247.09656	1.0
257.08023	1.2
259.09677	3.0
271.09610	1.7
285.11380	1.0
287.12842	2.2
289.14426	1.5
293.44629	1.0
313.14365	1.8
351.19205	1.4
368.42456	1.8
369.20618	80.9
369.42883	1.5
370.21078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2061
Annotation	Quercetol B
Peak:m/z	Relative Intensity
52.80991	1.1
53.03947	2.6
55.05509	9.8
57.07077	1.6
60.08160	1.8
61.49274	1.0
61.84548	1.0
65.03926	3.0
67.05508	20.1
68.99762	1.5
69.07063	4.1
69.27051	2.6
69.27454	9.9
79.05499	19.0
81.07058	12.5
83.01342	2.1
83.08595	2.4
88.82061	1.1
91.05484	9.9
91.26650	1.1
93.07047	12.5
95.04955	3.5
95.08614	10.2
98.20890	3.7
98.21544	1.6
99.08115	1.6
105.07014	6.9
107.08610	7.4
109.10160	3.7
117.06998	2.3
119.08609	5.0
121.06533	1.1
121.10149	5.9
131.08563	4.3
133.06459	1.3
133.10147	2.2
135.11710	2.2
137.05998	1.4
141.05478	1.2
143.66754	1.2
145.10120	3.6
147.11688	2.8
149.05980	1.4
153.05501	5.9
153.06583	1.0
161.05968	2.1
161.13278	1.2
163.03941	1.6
163.07576	1.6
163.14803	2.9
165.05409	1.4
167.03409	47.9
167.06998	1.5
177.05435	5.1
179.06995	1.6
185.13229	1.3
187.14777	3.3
191.07057	1.3
193.04973	8.6
201.16463	1.3
203.06963	3.2
203.18008	1.9
205.05011	3.6
205.08746	1.4
206.05746	18.1
207.06480	2.5
217.08588	2.7
219.06532	100.0
220.07159	5.3
231.06577	3.4
232.07172	1.5
233.08110	6.0
245.08125	23.9
247.09671	1.6
257.08017	1.2
259.09662	1.8
271.09546	1.6
287.12845	2.7
301.14359	1.7
313.14371	2.3
351.19318	1.5
368.42517	2.8
369.20609	97.5
369.42773	3.2
370.21057	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	369.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01858	2.1
55.05505	8.5
55.51825	1.2
60.71202	1.2
62.90878	1.1
65.03907	1.4
67.05505	17.9
68.99772	3.0
69.03427	1.9
69.07054	5.9
72.04491	3.8
78.95275	1.4
79.05494	20.8
81.03416	1.8
81.07058	19.2
83.01328	3.1
83.04977	4.7
86.91158	1.2
91.05476	31.5
93.07046	16.4
95.04964	5.6
95.08605	10.7
97.02881	1.8
97.06504	1.5
98.21250	7.3
102.93064	1.1
103.05491	1.9
105.07030	53.9
107.04982	2.1
107.08572	9.3
109.06490	3.4
109.10152	2.7
115.05463	3.3
117.07012	23.1
117.49577	1.3
119.08578	24.6
121.06502	4.0
121.10147	5.5
123.04421	1.7
123.08049	1.4
123.11588	1.3
125.05965	4.3
128.06204	5.3
129.07010	10.8
130.07764	2.3
130.17638	1.2
131.08568	40.5
133.06462	2.7
133.10136	18.4
135.08034	3.2
137.05972	3.6
137.09676	1.4
137.13289	1.3
139.03888	1.9
141.05443	12.5
141.07027	2.8
143.08556	14.9
144.68172	1.2
145.10120	52.8
146.10526	1.5
147.08069	3.0
147.11705	10.2
149.09630	2.2
151.03964	1.4
151.07578	3.5
153.01833	10.8
153.05466	39.6
153.06750	2.9
155.08556	7.6
157.10141	6.7
159.07996	1.4
159.11636	10.4
161.05945	3.6
161.09612	2.6
161.13216	3.6
163.11137	2.8
165.05472	1.3
167.03400	100.0
167.07036	5.2
168.03749	1.8
169.04950	4.6
169.10172	7.7
171.11667	3.5
173.13268	2.3
177.05434	5.0
179.03378	3.0
179.07022	9.2
181.04945	1.8
181.08600	1.4
181.10051	1.6
183.11679	5.1
184.16873	1.3
185.04437	1.9
185.13248	12.4
187.11313	2.0
187.14821	40.5
191.07048	2.8
193.04964	1.8
193.08595	1.7
195.06480	6.4
201.12674	2.6
201.16333	9.4
202.18059	1.5
203.07095	2.6
203.18222	1.6
205.04996	3.3
205.06764	1.4
205.08612	3.6
207.06497	2.5
207.10136	2.4
209.08052	3.7
211.14819	17.3
217.08580	4.9
219.06416	1.3
219.10124	3.9
223.09734	1.6
229.15880	26.9
231.10109	2.7
243.10083	1.3
245.08058	2.8
253.15990	1.4
271.13364	2.5
287.09189	2.0
351.19482	12.6
369.16782	3.0
369.20572	33.4
369.31543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14375	1.2
55.01868	2.2
55.05508	3.1
56.14676	1.3
57.03435	3.4
57.10781	1.0
61.02939	1.3
67.05502	2.6
67.27570	1.4
69.03429	8.6
69.07046	1.2
71.04990	2.8
71.48449	2.5
79.05491	3.4
81.03423	5.4
81.07049	4.3
83.05007	6.5
85.02918	8.5
88.37566	1.2
91.05488	5.4
93.07050	6.4
93.50640	1.3
95.04991	1.8
95.08614	4.2
97.02895	3.2
99.04445	3.9
105.07038	31.4
107.08601	4.7
108.97004	1.2
109.02887	1.5
109.06510	2.5
109.10226	1.5
117.07001	1.8
119.04937	3.9
119.08593	12.4
121.06488	3.4
121.10146	4.5
123.08059	3.5
123.11753	1.3
123.12640	1.2
124.69242	1.2
127.03915	3.1
128.06233	1.4
129.06996	1.2
131.08557	2.8
133.06490	4.1
133.10129	12.4
135.08044	2.7
135.11749	2.2
143.08528	3.9
144.09370	1.7
145.10126	7.9
145.90770	1.2
147.08015	4.7
147.11658	7.2
149.09660	1.8
151.07550	4.4
156.09370	2.2
159.11710	6.4
160.08904	3.3
161.09645	16.6
161.13251	2.8
163.11200	26.2
171.11652	5.8
175.03934	1.4
177.12749	23.3
178.73134	1.4
179.10669	4.5
189.12701	5.7
191.14317	4.0
207.13814	100.0
208.14230	2.2
344.94702	1.2
351.14462	2.1
354.41513	1.1
369.15500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2061
Annotation	Quercetol B
Peak:m/z	Relative Intensity
53.03932	0.7
55.01841	0.4
55.05513	1.8
59.75890	0.3
64.56605	0.3
65.03918	0.8
65.13594	0.3
67.05165	0.4
67.05505	5.8
68.99783	0.6
69.07053	1.3
70.45995	1.1
79.05058	0.5
79.05497	7.3
81.07060	3.2
91.05488	5.7
93.07047	4.7
95.04958	1.2
95.08600	2.8
98.21137	0.7
104.69263	0.3
105.07025	2.5
107.04966	0.4
107.08592	2.1
109.06464	0.3
109.10122	0.7
115.83908	0.3
117.07002	1.4
119.08573	1.6
121.10135	1.3
123.04402	0.7
128.06247	0.4
131.08621	1.7
133.06453	0.6
133.10130	1.1
135.08069	0.4
139.03864	0.3
141.05473	0.8
143.08571	0.4
145.10118	2.2
147.11668	0.7
151.07585	0.5
153.01801	1.3
153.05479	6.2
157.10097	0.5
159.11641	0.6
161.13264	0.4
163.03906	1.4
165.05437	0.4
167.03406	17.4
167.07086	0.6
169.04973	0.3
169.10118	0.3
170.02158	0.4
176.04660	1.7
177.05498	0.9
179.03366	0.6
179.07002	0.7
187.14806	1.8
191.17944	0.4
192.04196	3.0
193.04967	4.0
195.06538	0.4
201.16338	0.6
203.07089	0.4
204.04185	15.7
205.04961	5.5
205.06726	0.6
206.05757	13.8
207.06499	1.5
211.14845	0.5
215.07036	0.5
217.05051	0.5
217.08655	1.0
218.05780	1.0
219.06531	61.7
220.07230	4.5
227.06940	0.4
229.15842	0.9
230.05602	0.5
231.06502	1.8
232.07277	1.4
233.08105	1.6
243.06671	0.4
245.08130	2.0
246.08643	0.5
257.08090	0.5
259.09616	0.9
261.11368	0.6
261.14844	0.4
271.09610	0.4
272.10309	0.5
273.11200	0.6
285.11163	0.7
301.14368	0.4
313.14288	0.5
327.15826	0.5
351.19659	0.7
369.20609	100.0
370.20993	2.4
380.81439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05503	2.5
65.03947	0.9
67.05508	7.1
69.07056	1.2
69.47544	1.4
69.47949	3.6
70.31732	0.6
79.05495	7.7
81.07070	3.6
91.05492	6.8
93.07040	5.6
95.04984	1.4
95.08614	3.5
98.21027	2.7
105.07043	4.1
107.08585	2.4
115.05432	0.7
117.07011	1.8
119.08588	2.4
121.06475	0.6
121.10123	1.5
123.04456	0.8
131.08565	4.1
133.10127	1.2
137.05968	0.9
139.03961	1.0
141.05496	0.9
143.08592	0.8
145.10107	2.9
147.08000	1.0
153.01852	1.0
153.05481	7.2
155.08578	0.6
157.10143	1.0
157.52367	0.6
159.11711	2.2
163.03876	0.9
167.03415	17.0
167.07037	0.7
169.04959	0.6
176.04816	1.2
177.05469	1.2
179.03415	0.9
179.07068	1.3
183.11635	0.9
185.13280	0.7
187.14789	3.2
190.06285	0.8
192.04178	2.5
193.04944	3.3
201.16222	0.7
204.04204	16.1
205.04944	4.9
206.05733	11.5
206.53993	0.6
207.06532	1.0
211.14949	0.8
211.17863	0.6
217.08702	0.9
218.05684	1.2
219.06538	58.5
220.07135	4.4
229.15872	1.0
231.06439	0.9
232.07321	1.0
233.08000	1.4
245.08144	1.4
247.09680	0.7
257.08148	0.9
309.15350	0.7
351.19525	1.6
369.20618	100.0
370.20895	3.5
391.90204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01869	2.6
55.05511	2.7
57.03428	3.7
57.61132	1.0
59.04964	1.0
60.03903	1.1
61.02923	3.0
67.05503	2.4
67.09861	0.9
69.03432	11.3
69.07064	2.7
70.86028	2.8
71.04986	2.6
79.05489	4.6
81.03424	5.1
81.07051	3.6
83.04971	6.7
85.02417	1.6
85.02908	20.6
91.05481	7.8
93.07034	8.1
95.04979	1.5
95.08614	4.6
97.02902	4.6
97.06512	1.2
98.21186	1.7
99.04471	2.2
105.07036	31.9
107.04996	2.3
107.08588	7.7
109.02878	2.8
109.06495	2.6
109.10158	3.2
110.10826	1.0
116.48727	0.9
117.07024	3.6
117.97165	0.9
119.04946	3.4
119.08599	17.7
121.06504	4.5
121.10149	5.5
123.08076	5.2
123.11651	1.4
127.03927	4.0
129.07031	1.8
130.07808	1.0
130.99727	1.0
131.08562	3.9
133.06476	5.7
133.10135	11.0
134.27162	0.9
135.08063	2.6
135.11732	2.7
137.05939	1.1
137.09627	1.6
143.08540	5.0
145.05019	2.2
145.10129	9.0
147.08057	5.9
147.11696	13.8
149.09624	2.7
151.07559	2.6
156.09337	2.8
159.08032	1.8
159.11713	7.2
160.08885	3.4
161.09624	14.5
161.13281	4.6
163.11191	34.8
171.11726	7.5
174.10446	3.1
177.12758	26.0
178.13130	1.1
179.10701	3.5
189.09189	1.5
189.12747	11.6
191.14397	2.0
207.06633	1.6
207.13805	100.0
208.14117	1.4
299.44363	1.0
337.10715	1.1
342.47037	1.0
369.13284	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01860	3.3
55.05501	3.6
57.03434	2.6
61.02912	4.6
69.03427	21.1
69.07038	1.8
69.97536	5.6
71.04974	2.9
79.05479	6.8
81.03400	5.0
81.07055	1.7
83.04529	1.1
83.04974	6.8
85.02902	28.2
87.04453	1.4
91.03944	1.2
91.05464	4.2
93.07023	4.3
95.04980	2.9
95.08607	1.7
97.02888	11.9
97.06548	1.6
98.20901	2.6
98.21481	1.8
99.04490	1.2
103.05488	2.5
105.07037	15.9
107.04968	1.7
107.08590	9.0
109.02849	2.7
109.06501	1.6
117.06989	2.6
119.04916	3.4
119.08585	12.7
121.06513	7.9
121.10137	4.7
123.08043	3.8
125.86927	1.2
127.03922	5.7
128.06218	1.3
129.06993	1.6
131.08554	5.3
133.06494	47.9
133.10101	7.8
135.08051	5.1
137.02342	1.8
143.08542	4.2
145.04930	5.2
145.10106	9.7
147.08038	6.8
147.11664	6.2
149.09624	2.7
151.07527	2.9
156.09322	4.6
160.08850	4.5
161.09636	6.8
161.13240	5.6
163.11180	46.0
171.11691	6.5
173.13249	3.5
174.10417	1.6
189.12750	37.9
191.14319	49.4
199.11246	1.3
207.06508	1.6
207.13806	100.0
258.04257	1.3
309.03421	1.2
341.06396	4.2
369.06042	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
53.21973	1.4
55.01868	1.9
55.05508	3.0
57.03437	5.8
59.04990	2.2
61.02914	4.4
67.05514	3.4
69.03429	19.6
69.07069	2.9
70.15047	6.1
71.05001	2.0
73.02934	3.4
77.28366	1.3
79.05486	5.1
81.03415	6.5
81.07053	6.4
83.04971	3.7
83.21628	1.5
85.02913	39.3
91.03952	2.8
91.05490	33.2
92.18034	1.4
93.07049	7.7
95.01360	2.7
95.04969	5.1
95.08612	5.6
97.02905	12.8
98.21378	3.2
99.04424	3.9
101.02415	1.8
103.03957	1.7
105.03384	6.5
105.07036	23.2
107.04970	3.9
107.08587	7.5
109.02875	5.2
109.06528	7.3
109.10175	7.0
113.02380	3.6
117.07030	1.9
119.04942	6.7
119.08596	14.2
121.06545	4.1
121.10150	5.0
122.07316	1.9
123.04397	2.8
123.08082	3.7
123.11723	2.0
127.03905	6.2
128.06216	1.9
129.06996	1.6
131.08568	3.4
133.06491	5.5
133.10138	4.7
135.08073	4.1
135.11685	1.9
137.05994	5.0
137.09621	30.9
140.04745	2.5
141.06992	1.8
141.42688	1.5
143.08554	4.3
145.04961	6.2
145.10133	8.4
147.04454	2.6
147.08037	5.6
147.11682	7.7
149.09621	2.8
151.07544	2.7
153.57957	1.5
155.07086	4.9
156.09325	4.3
158.40997	1.5
159.11681	2.9
160.08801	2.6
161.05884	1.6
161.09598	6.8
161.13235	7.2
163.07576	1.7
163.11195	30.0
167.07062	12.7
171.11702	8.6
173.13292	2.7
174.10367	1.4
175.03972	3.2
175.07526	1.7
177.05490	2.4
177.12695	3.3
179.07083	3.3
189.07057	1.7
189.09105	1.5
189.12741	30.1
191.14305	26.5
193.08585	6.1
194.09355	11.3
195.10170	2.7
196.58289	1.5
207.06526	5.7
207.13829	100.0
208.05176	2.4
234.06656	1.6
247.07460	3.3
263.10825	1.7
269.08084	1.7
275.07053	2.4
277.08603	2.8
290.09198	1.6
293.07968	1.7
307.09622	2.0
309.11230	1.5
315.08649	6.4
337.10751	3.9
338.11185	1.6
339.12161	2.9
341.13916	1.8
351.11874	2.5
351.18140	2.1
369.13394	7.2
369.19052	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01870	0.5
55.05503	1.2
57.03445	1.9
59.04963	0.4
61.02933	1.2
61.10289	0.4
68.65144	0.4
69.03137	0.5
69.03439	6.1
69.07082	0.5
71.01331	0.4
71.04985	1.8
73.02943	0.8
73.06174	0.5
73.06561	9.2
79.60527	0.4
81.03431	1.8
83.05004	1.9
83.05429	0.4
85.02911	11.6
87.04458	1.1
94.02935	0.7
96.51894	0.4
96.57113	0.3
97.02911	3.6
99.04480	0.9
101.06010	2.1
103.03963	0.6
107.07062	0.8
109.02873	1.7
119.07036	1.4
127.03928	3.2
135.05524	0.9
136.07582	0.6
145.04982	1.2
147.05513	1.2
153.01817	0.7
161.07100	3.0
162.05495	2.3
163.05017	8.2
167.03398	1.0
171.05540	3.0
172.06386	1.1
173.07085	3.6
187.05072	0.6
189.06604	6.1
192.89435	0.5
207.07666	100.0
208.06227	0.6
208.08038	1.8
293.78574	0.4
352.10056	0.5
357.61432	0.5
369.02554	0.6
369.12726	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	369.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39812	1.3
53.03940	6.7
55.01868	3.6
55.05522	2.6
57.03430	5.7
61.02921	2.2
67.05499	4.5
69.03436	26.7
70.63306	3.6
70.63630	1.5
71.01311	2.3
71.04999	17.6
71.09624	1.3
73.02917	2.7
76.30524	1.5
79.05493	9.0
81.02970	2.8
81.03422	36.2
81.07066	7.9
83.04975	1.8
85.02914	19.6
91.05491	20.2
93.07055	16.7
95.04967	4.0
95.08640	7.6
97.02902	20.8
99.03836	2.0
99.04465	33.7
103.05476	3.9
105.07038	100.0
107.04948	2.6
107.08623	9.9
109.02895	13.7
109.06503	4.5
109.10153	3.9
117.07015	3.5
118.07837	1.9
119.04927	4.2
119.08586	13.3
121.06519	9.3
121.10149	7.8
121.83208	1.8
122.03652	2.4
123.04422	1.4
123.08111	7.0
123.11716	2.2
127.03934	9.8
128.06232	5.7
129.07005	4.2
131.04907	2.2
131.08591	6.9
132.91193	1.7
133.06511	12.9
133.10141	81.4
135.11740	4.1
137.06012	14.6
137.09627	1.9
141.07074	1.5
143.08556	6.2
145.05019	1.9
145.06528	2.5
145.10110	7.3
146.07249	4.4
147.04446	4.4
147.08047	5.9
147.11717	2.7
149.06081	1.6
149.09633	3.8
149.50694	1.4
151.07547	7.6
157.10155	1.9
159.08054	3.1
159.11671	2.2
161.09634	99.1
162.09985	2.6
163.11220	22.5
167.07056	2.9
171.08057	1.9
173.09688	3.3
175.03876	3.5
175.11208	2.7
179.10684	41.3
185.09753	1.8
187.07416	1.6
189.09108	14.2
201.09135	2.5
203.10681	2.8
207.06529	8.1
207.10196	12.5
207.13890	1.7
217.08595	1.5
219.08018	3.1
225.11220	2.3
231.07991	2.7
234.06801	3.7
247.07576	3.2
248.08267	1.4
249.09099	3.8
263.07071	2.5
274.26389	2.0
276.07962	3.3
277.08636	4.8
279.10263	3.3
287.13016	1.8
293.08054	2.4
294.08820	2.4
305.13867	3.3
306.26599	1.6
307.09558	2.5
309.11154	3.4
323.08893	2.8
323.14850	9.4
337.10623	6.0
341.16000	5.2
351.14566	24.9
369.15112	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	369.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05512	12.2
57.03438	4.4
59.04998	11.0
59.15154	2.1
59.33020	1.9
61.02931	2.5
61.57483	2.3
62.69686	2.2
69.03425	29.8
71.04989	7.9
71.56101	3.0
73.06558	100.0
79.05489	2.7
81.03423	13.8
81.07060	2.9
83.04992	11.8
85.02908	40.9
86.07703	2.9
89.06015	7.9
91.05465	4.5
97.02901	25.8
99.04449	4.3
101.06019	20.0
105.07034	7.0
107.07094	6.5
109.02865	9.4
109.06503	2.2
117.05511	3.3
119.04957	4.8
119.07046	9.7
119.08595	4.1
123.04408	8.5
124.03941	3.2
127.03928	23.6
133.06516	5.0
137.06055	3.5
145.04941	12.1
147.04408	10.3
151.07501	3.0
152.07149	2.8
153.01839	3.3
153.05457	2.8
155.07088	6.6
162.05496	4.3
167.07014	13.6
179.06891	3.5
182.10034	2.2
190.03160	4.9
194.09363	32.8
195.10127	4.1
207.07732	7.9
208.05978	6.0
249.09584	3.7
279.08679	2.7
309.14728	2.4
369.11874	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.10181	1.6
55.05516	14.4
55.87373	1.7
57.03424	3.7
59.04979	2.3
61.02930	3.1
62.71088	1.5
68.65002	1.8
69.03436	15.8
69.64051	9.4
71.04989	6.8
73.02910	1.6
73.06558	100.0
78.72565	1.6
81.03409	6.3
81.95750	1.6
83.04987	12.3
85.02911	36.3
89.06034	6.3
90.98516	1.5
97.02898	22.8
98.30936	1.6
99.04430	3.1
101.06024	22.7
107.07069	6.0
109.02879	7.5
117.05532	2.6
118.32822	1.7
119.07063	9.8
127.03925	17.3
145.04977	9.8
163.06049	2.2
180.06532	1.7
194.09442	1.7
207.06406	3.3
245.10240	2.9
251.11322	3.8
317.47205	1.7
333.15720	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
57.03438	6.3
61.02919	1.5
64.51298	0.5
65.03937	1.6
69.03430	5.7
69.31169	4.3
71.01351	7.1
71.04981	0.9
73.02917	8.6
74.65099	0.4
75.04477	1.3
79.05479	0.6
81.03424	1.3
83.01362	1.0
83.04991	1.4
85.02906	18.6
88.95605	0.5
91.05482	100.0
92.05820	1.1
93.07015	0.5
95.01328	3.5
95.04966	1.2
97.02897	7.4
98.20943	1.9
99.00848	3.0
99.04472	2.5
101.02393	1.9
103.03919	2.2
105.07042	1.8
107.05007	0.7
109.02882	1.1
113.02365	9.1
117.05483	0.6
119.04979	0.9
119.08585	1.0
123.00794	0.9
123.04414	1.0
123.08092	0.8
125.10600	0.5
127.03935	0.6
127.22993	0.5
129.05515	0.6
131.03401	3.4
131.08536	0.6
132.83174	0.4
133.06490	0.7
133.10133	0.7
135.08015	0.5
137.05974	6.9
140.04655	0.5
141.01836	8.4
145.04970	1.3
145.10196	0.8
147.04459	0.6
151.07458	0.4
153.05556	0.6
155.07063	1.2
159.02939	2.3
159.06589	1.0
163.11232	1.3
165.09180	0.5
167.07077	2.8
169.04951	1.2
169.79623	0.5
187.06029	1.8
189.12756	1.7
191.14471	1.2
193.08609	21.2
194.09349	1.3
197.04448	1.1
207.06551	2.1
207.13780	3.9
209.97141	0.5
215.05478	2.9
231.08179	0.6
233.06651	0.7
235.09688	4.0
244.72247	0.5
247.07516	0.8
265.08554	0.5
293.08014	0.6
307.09464	1.0
315.08829	0.9
337.10690	1.5
369.12387	2.4
379.45587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
54.64697	3.0
55.05512	12.1
57.03439	3.6
59.28645	2.9
63.98539	2.8
65.17909	3.4
69.03433	13.4
70.83186	9.3
71.04982	15.0
72.22583	3.3
73.06163	6.9
73.06562	100.0
79.64581	2.8
81.03442	7.9
81.42319	2.9
83.04998	11.3
85.02905	33.8
89.06041	8.3
97.02903	13.0
97.64269	2.7
101.05453	3.1
101.06020	18.0
107.07096	11.2
109.02885	4.7
119.07093	9.6
123.90796	3.2
127.03988	15.0
128.13354	3.4
129.64691	3.5
145.04980	7.9
153.01773	4.1
167.03452	4.3
179.02199	3.3
191.97034	3.2
194.09377	5.1
243.75584	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	368.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
55.05511	8.8
57.03452	1.0
57.07067	3.4
61.73476	1.1
67.05508	9.4
69.03427	3.7
69.07072	8.1
71.04994	1.3
72.04518	100.0
79.05501	9.6
81.07055	10.0
83.04974	2.9
85.06544	1.1
90.16699	1.0
91.05476	8.2
93.07043	15.4
94.17928	1.0
95.04966	4.4
95.08604	5.4
97.02892	11.7
97.06541	3.7
97.10165	3.8
100.07595	1.5
105.07040	7.6
107.04958	2.2
107.08619	4.5
109.06518	1.4
109.10165	2.6
111.04424	8.6
111.08064	1.4
113.06031	3.0
114.09166	9.7
117.07032	2.9
119.08562	4.6
121.06488	8.4
121.10146	11.2
122.30077	1.0
123.04429	21.1
125.05984	2.9
128.10689	6.0
129.07063	2.2
131.08580	15.6
133.10115	3.1
137.05991	1.4
137.09630	1.3
139.11259	2.2
142.12331	2.6
143.08455	1.5
145.10147	4.2
147.08054	2.6
147.11705	2.1
149.09621	14.4
153.05481	2.9
159.11812	1.3
161.09662	1.2
161.13275	3.2
167.03407	8.8
167.10689	15.8
171.11710	1.6
184.16975	63.1
187.14857	4.0
189.12753	4.1
199.11307	1.3
202.18027	95.0
207.13817	1.2
208.88449	1.0
229.15964	2.3
235.13222	2.3
243.44495	1.3
253.14343	9.1
262.18002	2.1
280.19064	41.6
281.19611	1.2
350.26926	1.5
368.28003	5.4
369.20737	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	369.0278
Annotation	Scensidin
Peak:m/z	Relative Intensity
51.03835	0.9
53.03932	2.9
55.01871	1.9
55.05500	3.1
56.75796	1.0
57.03423	3.5
61.02902	1.4
63.02385	1.4
65.03931	1.5
67.01858	2.3
67.05492	2.2
68.99786	2.8
69.03436	15.8
69.07056	1.1
69.47424	5.7
69.47847	3.2
70.95560	1.0
71.04996	7.8
73.02898	1.2
79.05511	6.1
81.03053	1.2
81.03432	14.7
81.07079	5.3
81.07473	0.9
83.04961	2.6
85.02911	13.3
86.60867	1.0
89.03893	3.0
91.05460	10.6
91.54333	1.0
93.07032	7.8
95.04926	2.0
95.08646	5.6
95.09167	1.2
97.02883	7.5
98.20952	4.1
98.21562	1.9
99.04457	15.4
103.05402	2.0
105.07037	51.2
107.04951	5.4
107.08588	6.3
109.02863	6.9
109.06506	3.6
109.10191	2.9
111.00813	2.1
111.04498	1.4
111.08078	1.2
115.05463	1.6
117.03391	5.2
117.07018	4.0
119.04925	1.9
119.08585	9.6
121.06536	3.3
121.10182	6.1
123.04443	8.1
123.08051	4.1
123.11694	1.4
127.03912	5.9
128.06226	1.9
129.07019	1.8
131.04942	1.4
131.08575	3.7
132.05673	1.3
133.06557	5.9
133.09134	1.9
133.10130	33.8
135.04440	9.9
135.08075	1.8
135.11722	1.8
137.02402	1.4
137.05989	7.5
137.09537	1.2
139.03943	2.0
143.08553	4.5
145.02849	8.6
145.06522	2.1
145.10150	5.9
146.07227	2.4
147.04446	2.1
147.08078	4.1
147.11685	3.7
149.09595	1.8
151.03897	1.8
151.07570	4.7
151.11182	2.0
153.01834	100.0
154.02090	1.4
156.09326	2.0
157.06526	1.8
159.04556	1.8
159.08069	2.0
159.11711	3.3
161.05975	2.5
161.09628	42.1
161.13211	2.6
163.03908	49.7
163.11180	19.5
164.59581	1.2
166.02635	5.1
167.07132	1.5
171.02930	6.9
171.11719	1.9
173.09627	1.9
173.13263	1.6
175.03943	2.4
175.07649	1.5
175.11153	1.5
177.12785	6.7
179.03386	5.3
179.07010	1.6
179.10696	20.2
187.03931	2.0
187.07556	1.2
189.09119	11.0
189.12749	3.0
203.10663	1.2
207.06567	4.9
207.10173	6.3
207.13797	28.3
211.07799	1.3
218.07072	1.3
219.08124	1.3
221.09659	1.3
231.08080	2.1
234.06844	2.3
235.07611	1.5
247.07558	1.5
248.65289	1.3
251.07066	1.4
263.10944	1.2
264.07587	1.3
267.10028	1.1
270.05139	1.2
271.06039	2.0
275.07004	1.7
276.07840	1.4
277.08643	3.0
279.06461	1.9
279.10193	1.4
287.05496	3.1
288.06165	1.8
289.07068	54.5
290.07336	1.2
291.10147	1.4
294.08823	1.9
305.08124	1.6
305.14026	1.4
307.09735	1.5
308.10547	1.2
309.11325	3.4
315.08795	1.1
323.09256	1.3
323.14856	3.2
333.13245	2.0
337.10654	6.2
338.11517	1.3
351.14648	9.4
369.02768	38.6
369.13504	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	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
57.03438	6.3
61.02919	1.5
64.51298	0.5
65.03937	1.6
69.03430	5.7
69.31169	4.3
71.01351	7.1
71.04981	0.9
73.02917	8.6
74.65099	0.4
75.04477	1.3
79.05479	0.6
81.03424	1.3
83.01362	1.0
83.04991	1.4
85.02906	18.6
88.95605	0.5
91.05482	100.0
92.05820	1.1
93.07015	0.5
95.01328	3.5
95.04966	1.2
97.02897	7.4
98.20943	1.9
99.00848	3.0
99.04472	2.5
101.02393	1.9
103.03919	2.2
105.07042	1.8
107.05007	0.7
109.02882	1.1
113.02365	9.1
117.05483	0.6
119.04979	0.9
119.08585	1.0
123.00794	0.9
123.04414	1.0
123.08092	0.8
125.10600	0.5
127.03935	0.6
127.22993	0.5
129.05515	0.6
131.03401	3.4
131.08536	0.6
132.83174	0.4
133.06490	0.7
133.10133	0.7
135.08015	0.5
137.05974	6.9
140.04655	0.5
141.01836	8.4
145.04970	1.3
145.10196	0.8
147.04459	0.6
151.07458	0.4
153.05556	0.6
155.07063	1.2
159.02939	2.3
159.06589	1.0
163.11232	1.3
165.09180	0.5
167.07077	2.8
169.04951	1.2
169.79623	0.5
187.06029	1.8
189.12756	1.7
191.14471	1.2
193.08609	21.2
194.09349	1.3
197.04448	1.1
207.06551	2.1
207.13780	3.9
209.97141	0.5
215.05478	2.9
231.08179	0.6
233.06651	0.7
235.09688	4.0
244.72247	0.5
247.07516	0.8
265.08554	0.5
293.08014	0.6
307.09464	1.0
315.08829	0.9
337.10690	1.5
369.12387	2.4
379.45587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01877	0.4
55.05510	0.4
57.03429	0.9
59.04997	0.6
61.02930	1.2
69.03432	3.8
70.03763	0.4
70.06591	0.4
71.04989	0.7
71.26680	0.6
72.08145	0.6
73.02885	0.4
73.06562	1.4
74.06908	0.5
81.03413	1.3
83.04986	0.6
85.02906	7.4
86.03197	0.4
87.04465	0.8
91.03942	0.5
97.02894	2.9
98.20937	0.4
99.04462	0.6
101.06014	0.9
102.05498	0.3
103.21755	0.3
109.02893	1.1
117.05733	0.3
120.06572	0.4
120.08091	0.9
127.03949	1.9
128.04320	0.4
128.07050	0.7
130.28310	0.4
131.64795	0.3
132.04462	7.5
132.05408	0.6
132.06541	0.3
145.04999	1.5
153.01797	0.5
158.31349	0.3
178.04997	67.1
179.05347	1.4
185.33087	0.3
206.04489	100.0
206.09993	3.1
207.04790	1.8
226.49223	0.3
244.62456	0.3
259.66565	0.3
294.30316	0.3
296.46545	0.3
325.84756	0.3
350.15414	0.5
351.12308	0.3
368.15524	3.4
369.02200	0.4
381.49200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1554
Annotation	Casuarine 6-O-alpha-D-glucopyranoside
Peak:m/z	Relative Intensity
56.05023	1.3
57.03418	1.2
60.04513	1.8
60.04787	0.4
61.02908	1.5
62.20948	0.4
62.91155	0.4
64.65362	0.4
68.05010	1.1
69.03428	4.1
69.71880	0.7
69.72290	1.8
72.04501	1.3
73.02896	1.4
74.06064	0.9
80.05013	2.5
81.03388	1.1
82.06564	1.8
84.04488	1.7
85.02505	0.5
85.02911	5.3
86.06068	0.8
87.04446	1.2
91.03931	0.5
93.62477	0.5
96.04468	0.4
96.08118	0.6
97.02898	2.2
98.06049	0.8
98.21056	1.1
99.04446	0.4
102.05534	2.9
103.03899	0.4
106.06545	0.8
108.42543	0.4
109.02879	1.0
110.06054	2.5
114.05539	0.7
116.07078	0.5
122.05996	1.6
124.07569	1.8
127.03906	1.3
128.07082	15.6
130.10207	0.4
132.06558	4.5
134.05978	1.4
140.07018	0.9
142.08627	0.9
145.04967	0.6
152.07080	2.9
158.08174	0.8
160.09656	0.7
170.08144	4.2
185.18765	0.4
188.07462	0.4
188.09181	9.1
188.84923	0.4
200.02165	0.5
206.10239	80.6
207.10590	0.9
246.54872	0.4
286.20096	0.4
350.14545	0.5
368.15509	100.0
369.15747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.61379	0.5
55.01845	0.6
55.05511	3.1
57.07064	0.6
61.02917	0.9
63.30099	0.5
65.03924	0.7
66.99899	0.5
67.05505	8.4
69.03405	0.6
69.07055	2.9
69.53695	0.5
70.05393	0.5
71.04981	0.6
71.57972	0.7
79.05493	9.2
81.07058	8.0
81.81104	0.6
83.04948	1.0
85.02910	0.5
91.05479	12.8
93.07059	6.1
95.04958	1.9
95.08599	3.2
97.02866	0.7
97.06498	0.6
103.05475	0.6
105.07030	9.0
107.04955	0.7
107.08575	2.1
109.10133	1.6
115.05432	0.8
117.07020	2.5
119.08576	6.2
121.10141	0.9
123.08099	0.6
123.11733	0.7
124.01549	0.5
129.06999	1.3
131.08574	2.7
133.10132	3.2
139.03828	0.7
141.05446	0.8
142.07735	0.8
143.08542	0.9
145.10135	1.7
151.03960	0.7
153.01830	2.0
153.05501	3.7
155.08560	0.7
157.10149	0.8
159.11682	1.3
161.13269	2.4
163.03897	2.6
167.03404	25.3
167.07083	0.8
170.02060	0.8
176.04684	2.5
177.05452	1.6
177.49640	0.5
178.02614	1.4
178.06120	0.7
179.03387	0.9
181.05002	0.8
185.13268	1.4
190.06123	0.5
192.04126	2.6
193.04993	6.0
201.16438	0.6
203.06999	1.1
204.04179	21.9
205.04990	3.2
206.05746	26.5
207.06422	1.3
213.16394	0.6
215.07097	0.9
217.05026	1.2
217.08603	1.8
218.05727	3.0
219.06528	99.0
220.07253	8.1
227.06984	0.6
227.14354	0.6
229.04935	1.1
231.06554	3.1
232.07262	4.1
233.08223	3.4
244.07356	0.8
245.08134	6.6
246.08829	0.7
247.09613	0.8
257.08035	1.2
259.09674	3.8
269.11542	0.6
271.09729	0.8
272.10416	0.6
273.11136	0.7
275.12811	1.1
285.56067	0.6
337.14465	0.7
367.19037	100.0
368.19278	3.8
377.88132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	11.4
59.05008	14.8
64.65713	11.0
67.05519	11.7
69.03426	33.0
69.07086	12.2
71.04988	25.0
71.07913	21.4
76.36870	8.8
78.83178	10.4
79.05505	31.2
81.03415	27.7
81.07061	86.9
85.02898	44.3
85.63786	8.8
85.99881	9.2
91.05482	14.0
95.08615	11.5
97.02882	22.8
99.04486	11.6
100.02230	14.6
105.07040	21.4
107.08593	23.9
109.02882	19.9
109.06533	12.9
109.10149	16.4
111.08082	11.0
113.93925	9.7
123.11716	21.0
127.03904	27.8
145.04935	14.6
147.09131	54.0
151.11134	22.5
157.12328	15.3
169.12276	34.9
187.13298	75.8
203.04965	12.7
207.07642	11.7
221.04500	17.2
281.14886	100.0
294.24960	10.3
324.12659	17.7
350.13470	23.8
367.13068	22.2
367.17288	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.05508	24.8
57.07066	9.8
65.03947	3.6
67.05503	42.2
69.03428	11.8
69.07079	26.4
71.04985	10.1
71.30293	3.4
78.04053	2.8
79.05492	36.7
79.18311	3.0
81.07062	65.6
83.04971	4.2
83.08616	11.8
85.06539	8.9
87.40736	3.0
91.05479	58.2
93.07046	78.3
95.04970	42.3
95.08607	49.9
97.06529	14.0
97.10173	3.5
103.05434	5.5
104.33823	2.8
105.07034	90.0
107.04946	3.7
107.08599	60.6
109.06514	19.5
109.10159	42.7
111.08091	4.8
115.05454	5.1
117.07006	20.8
119.08580	100.0
121.06494	13.9
121.10149	54.1
123.08085	8.2
123.11696	20.2
125.09608	3.9
128.06200	14.9
129.07007	16.6
130.07787	7.8
131.08582	53.8
133.10132	56.5
135.08067	17.7
135.11688	21.3
137.09604	6.1
141.06979	7.2
142.07771	23.2
142.66475	3.2
143.08553	45.4
144.09348	12.3
145.06523	4.8
145.10126	71.4
146.07336	8.5
147.08057	13.1
147.11707	20.1
147.41219	3.5
149.09648	15.8
149.13257	4.6
155.08553	11.9
156.09322	16.9
157.10132	50.6
158.10912	7.0
159.08083	4.8
159.11685	38.5
161.09608	41.7
161.13298	9.6
165.07062	4.0
167.03384	9.0
167.08543	8.1
168.09381	5.0
169.10172	19.1
170.10960	8.9
171.08099	5.0
171.11682	32.3
173.09576	6.5
173.13283	27.1
175.11119	9.2
175.14804	15.3
179.08543	9.7
181.10127	9.6
182.10861	7.2
183.11717	26.5
184.12521	3.5
185.09677	5.1
185.13243	23.7
187.14787	14.1
194.10936	9.4
195.11710	14.0
196.12383	7.4
197.13187	16.6
199.11261	4.6
199.14815	17.6
201.12793	5.9
201.16353	7.7
207.11679	6.1
209.13278	20.1
211.14787	13.1
213.12764	8.0
213.16360	7.6
215.14362	4.1
219.06512	7.4
221.13376	3.5
223.14713	5.4
225.12727	5.5
225.16422	7.7
227.14383	16.8
237.16354	5.9
239.17996	11.1
241.19543	6.0
251.18021	7.1
253.19586	3.2
257.19098	4.7
265.19427	4.4
267.17462	4.5
269.18799	3.8
349.25183	13.2
361.21652	3.7
367.18881	7.7
367.22601	5.9
367.26205	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	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01867	1.6
55.05295	1.3
55.05514	13.9
57.03434	5.2
59.04994	3.7
59.38543	1.1
61.02918	1.9
67.05479	1.1
69.03078	2.2
69.03435	39.1
71.04996	5.2
71.56976	1.5
73.02927	1.4
73.06561	100.0
81.03425	8.9
83.04979	10.3
85.02422	2.0
85.02912	27.1
87.04472	20.2
89.06020	4.2
91.05488	1.8
95.04995	1.3
97.02895	24.8
99.04462	8.2
101.02374	1.1
101.06020	2.8
103.03957	1.7
103.05536	1.2
105.05506	9.6
105.07035	2.9
107.04934	2.2
109.02904	6.0
113.03490	3.4
115.03928	4.3
115.05455	1.5
117.05474	1.6
123.04463	3.0
123.06567	10.7
127.03915	16.2
130.06541	1.1
131.04912	3.2
131.08511	1.3
132.05707	1.7
133.04990	9.5
133.06483	2.2
139.03954	1.0
141.07013	2.1
145.04973	6.7
145.06458	1.4
147.06505	1.7
157.06465	1.6
160.05212	2.2
161.05989	3.6
167.07068	17.3
171.04407	1.2
175.03926	1.2
178.05025	1.3
182.94736	1.0
188.04672	1.0
189.05487	1.4
189.07533	1.9
192.07802	7.7
201.07567	3.3
205.08638	1.8
206.04359	2.0
206.10349	2.0
207.06522	1.4
213.07591	4.1
217.10634	1.6
219.06592	1.3
227.09131	1.7
229.08653	1.1
231.06557	7.5
231.08717	3.3
233.08112	3.4
243.06404	1.4
249.09734	2.0
265.04611	1.1
267.10770	9.9
275.09177	1.6
289.07095	2.0
331.13867	2.1
349.14896	4.2
365.38589	1.3
367.04608	3.7
367.10172	8.9
367.14578	1.9
368.15475	2.8
380.77942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1903
Annotation	CHEBI:65958
Peak:m/z	Relative Intensity
53.03939	2.7
55.05509	2.6
65.03926	2.6
66.83253	0.9
67.01875	0.9
67.05513	10.0
68.99805	1.4
69.03402	1.4
69.07058	2.0
70.83157	1.2
70.83469	1.6
72.37383	1.0
79.05500	13.7
81.07066	9.9
83.01340	2.3
83.04985	2.7
91.05486	19.9
93.07048	10.8
95.04964	3.2
95.08616	5.3
97.02865	1.4
98.21136	1.8
103.05460	1.1
105.03394	1.8
105.07030	17.5
107.08607	5.6
107.51874	1.0
108.56458	0.9
109.10132	1.9
117.07012	3.6
119.08592	14.8
121.10151	2.1
125.02332	1.0
128.06213	1.5
129.06993	3.3
131.08591	4.9
133.10172	5.4
135.11682	1.5
137.05969	1.6
141.05486	1.3
143.08539	5.5
145.06541	0.9
145.10150	4.1
153.05478	3.7
157.10143	2.8
159.11690	2.6
161.13261	19.9
167.03404	94.7
168.03773	1.2
177.05441	2.2
181.10155	1.6
185.04568	2.0
185.13264	20.7
191.07047	1.9
193.04993	7.2
199.14839	3.5
201.16402	8.7
203.07010	1.6
205.04955	1.8
206.05782	10.0
209.13263	1.3
217.04927	1.6
217.08528	2.3
219.06537	100.0
220.07092	3.1
227.06963	1.6
227.14308	2.8
231.06476	3.6
232.07365	1.5
232.37369	0.9
233.08148	6.3
243.06503	1.2
245.08110	21.0
245.11865	1.3
259.09705	5.8
271.09698	1.0
273.11316	1.8
293.21317	1.0
325.14221	1.3
339.16019	1.2
349.17908	5.7
367.19052	67.0
368.19412	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05507	0.3
57.03415	0.2
65.03934	0.9
67.05509	0.3
69.03434	1.2
69.07063	0.4
69.74495	1.1
81.03417	0.4
81.07064	0.3
85.02908	0.9
91.05486	11.1
92.05771	0.3
93.07066	0.5
95.08593	0.4
97.02880	0.5
98.20943	0.6
99.04450	0.3
105.07046	0.6
107.04950	0.7
107.08557	0.3
109.02861	0.6
109.10145	0.3
117.07005	0.3
119.04950	25.4
119.08577	0.4
120.05267	0.6
121.06523	0.3
121.10181	0.3
123.04420	1.0
127.03960	0.3
130.06523	3.3
131.04967	0.2
131.08583	0.5
132.04446	0.5
135.08009	0.3
137.06044	0.3
145.10135	0.5
146.06056	0.5
147.04416	100.0
148.04774	1.1
149.06075	0.2
149.09683	0.3
151.11124	0.3
155.06097	0.4
157.06383	0.2
157.07616	4.2
158.06003	1.3
159.08006	0.5
159.09187	0.3
159.11656	0.5
161.09657	0.4
175.08662	2.7
177.05376	0.3
177.09146	0.9
178.04980	0.2
181.04962	0.2
181.53255	0.2
185.07121	0.9
187.11159	2.0
189.12738	0.7
192.07716	0.2
200.04739	0.3
201.06635	0.9
203.08168	12.7
205.08531	0.5
205.12283	1.0
205.76224	0.2
213.08888	0.2
221.09254	2.3
226.40526	0.2
257.53323	0.2
261.72586	0.2
265.52502	0.3
273.08905	0.4
325.11877	0.6
349.11896	1.1
367.12039	1.5
367.17444	0.7
372.58566	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	367.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38186	0.2
53.11924	0.3
54.77036	0.2
65.03937	0.8
67.53929	0.2
69.85207	0.5
69.85625	0.9
71.25325	0.2
79.05467	0.3
81.07050	0.4
91.05484	10.2
95.04966	0.3
98.21167	0.8
107.04972	0.4
107.08561	0.3
119.04948	26.0
120.05275	0.4
130.06541	3.3
132.04460	0.5
133.06433	0.2
137.06010	0.5
147.04413	100.0
148.04778	1.5
155.06079	0.5
157.07622	4.0
158.06050	1.2
159.09261	0.3
166.06673	0.2
167.07097	0.3
175.08698	2.8
177.73213	0.2
185.07140	0.8
201.06609	1.0
203.08156	13.1
207.64224	0.3
209.08063	0.3
219.07872	0.3
221.09201	2.8
223.86908	0.3
273.08762	0.3
283.62146	0.3
349.11914	1.4
349.16006	0.3
367.12036	0.7
367.16220	0.3
381.36319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73122	1.1
53.03940	1.8
55.05510	2.7
56.97345	1.1
57.03424	2.4
59.04979	1.5
62.06089	41.7
67.05508	2.4
69.03420	4.3
70.59397	2.5
70.59772	2.6
71.04987	8.1
72.05330	2.4
72.08139	2.5
73.06550	9.9
73.45449	1.1
74.06071	6.5
79.05482	2.2
81.03419	3.3
81.07040	1.3
83.04984	3.2
84.08123	1.2
85.02917	9.1
85.06549	3.1
86.06069	18.5
86.09699	7.0
87.04459	4.2
91.05491	4.1
92.05796	1.8
93.07056	2.0
97.02897	4.9
97.51488	1.1
98.21052	2.5
101.06030	1.7
102.05572	1.3
103.05431	1.3
104.07106	100.0
105.07035	2.5
106.07374	2.0
107.04953	5.0
109.02869	3.5
116.07095	2.6
119.08585	1.5
120.06564	3.7
120.08933	2.5
127.03931	5.9
131.08556	4.7
132.08891	6.6
133.10103	2.8
144.06552	4.2
145.04976	2.7
145.10120	2.5
146.10478	5.0
150.09915	1.6
153.01755	1.2
159.09195	1.7
162.07640	2.6
164.11575	1.5
167.07063	2.6
169.07545	1.8
170.05986	1.7
174.09979	1.5
175.56328	1.1
191.10657	1.3
192.11040	2.9
263.08536	2.0
266.12320	2.5
317.57562	1.3
366.11032	3.0
382.53827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28807	3.5
53.03950	3.2
57.07088	5.3
57.91001	3.4
60.40285	3.6
62.04603	3.0
67.05506	7.4
69.03429	5.0
69.07057	21.9
69.56510	17.4
69.56934	7.4
71.04958	4.6
81.03407	4.2
81.07059	28.5
85.02911	15.8
85.06537	4.2
91.05502	6.4
93.07070	3.5
95.08608	5.3
97.02892	4.9
98.20940	10.9
105.07126	3.6
109.10175	12.1
119.04948	6.0
119.08606	3.9
121.10191	4.1
123.04433	4.9
123.11709	100.0
127.03906	6.0
130.06563	4.9
145.04964	4.0
147.04417	24.2
151.11182	29.1
169.12253	20.7
174.05562	3.9
177.69862	3.6
187.13228	6.6
192.07677	3.7
198.95808	3.4
264.13641	3.4
277.05331	20.2
288.66489	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	366.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16330	4.9
54.48446	4.0
55.01873	6.5
55.05496	17.5
57.07082	6.7
65.03945	5.3
67.05495	40.0
68.05836	11.0
69.07053	17.2
69.91705	12.5
69.92118	9.8
70.07385	4.9
70.71178	4.4
71.08600	4.7
79.05483	17.9
81.07055	47.2
82.07381	12.6
83.08616	9.3
89.32434	4.4
91.05491	24.7
92.05784	6.1
93.07034	13.4
94.07322	6.6
95.08622	25.4
96.08940	12.3
98.21208	12.5
105.07018	14.6
107.08588	11.5
108.08904	5.1
109.10135	12.5
110.10433	4.7
117.07027	5.6
119.08600	9.7
120.08943	6.8
121.10146	10.0
123.04429	6.0
123.11724	8.7
124.12042	4.5
124.87437	5.0
133.10147	11.7
137.05998	6.2
139.03915	23.7
141.05493	33.0
142.05782	16.2
145.10112	10.5
147.11655	5.7
153.01790	7.5
153.05447	44.6
154.05829	21.9
163.14825	5.0
167.03403	100.0
167.07030	12.8
168.03738	58.4
171.02580	4.6
179.07094	9.8
180.07355	7.0
181.04930	4.7
182.16286	4.6
185.13190	5.1
189.16351	9.9
190.16734	13.7
191.06973	6.4
193.04936	9.7
194.05368	12.4
196.07050	4.3
205.08569	7.2
207.10176	12.4
207.17470	7.8
208.10481	12.3
208.17804	7.3
217.08528	5.9
330.21448	7.3
348.22482	23.5
367.22549	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	365.269
Annotation	2-[(3E)-hexadec-3-enoyl]-3,5-dihydroxycyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03922	0.5
55.01879	0.6
55.05521	4.9
57.03442	0.7
57.06829	0.5
57.07083	5.7
61.60256	0.3
65.03938	0.7
67.01859	0.4
67.05508	5.5
68.99793	2.2
69.03426	1.1
69.07073	4.4
69.84929	1.7
71.04988	0.9
71.08642	2.8
71.69369	0.3
72.91793	0.3
75.05128	0.3
79.05487	1.5
81.03437	1.6
81.07063	6.6
83.04975	1.0
83.08635	3.5
84.76729	0.3
85.02895	0.8
85.06557	0.4
85.10199	1.5
91.05484	2.0
93.03419	0.4
93.07036	0.8
95.04948	1.5
95.08044	0.4
95.08611	5.0
97.02875	0.3
97.06516	0.7
97.10157	1.7
99.04431	0.5
105.07034	1.0
107.08598	0.7
108.68401	0.3
109.02866	1.2
109.06538	2.3
109.10161	3.0
110.16317	0.3
111.04461	2.3
117.06998	0.3
119.04942	3.5
119.08566	0.6
121.10196	0.4
123.04439	9.6
123.11707	0.8
125.06010	0.5
127.03930	9.4
133.10138	0.6
136.02957	0.3
137.05992	12.0
137.07062	0.6
139.03912	61.6
140.04274	0.8
147.04448	1.6
147.11687	0.4
151.03940	2.7
151.07538	0.4
153.01804	2.0
153.05478	4.4
155.03404	40.1
156.03731	0.5
161.06058	0.6
165.05490	16.5
169.04987	1.1
179.07042	1.2
183.06509	0.5
199.99806	0.3
214.28238	0.3
223.13156	0.3
239.23586	0.3
241.75188	0.3
245.22859	0.4
254.49489	0.3
282.55524	0.3
291.19562	0.9
347.25870	1.6
365.26895	100.0
366.27164	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03934	0.6
55.05509	2.6
57.07073	5.7
63.55511	0.4
65.03918	0.5
67.05505	6.1
69.07063	4.3
69.24388	4.0
71.08627	3.6
79.05486	2.0
81.07059	5.5
83.01346	2.9
83.04951	0.8
83.08654	2.3
85.10165	1.0
91.05468	2.2
93.07039	1.9
95.04969	0.5
95.08617	4.7
96.08908	0.5
97.02920	0.5
97.10155	1.7
98.21123	2.3
105.07023	2.0
107.08575	1.5
109.06525	1.4
109.10159	2.8
111.08038	0.9
114.58013	0.5
117.07039	0.6
119.08597	2.3
121.06534	0.9
121.10130	0.7
123.08071	1.8
123.11671	0.6
129.06979	0.6
133.06491	0.6
137.05956	3.2
137.09573	0.6
139.07535	4.5
139.80345	0.4
143.08612	0.5
146.74678	0.5
147.08049	5.5
151.07545	13.2
153.05478	0.8
155.07014	2.9
165.05522	0.9
165.09113	4.9
167.07043	48.1
168.07426	0.6
175.07556	8.4
178.06258	0.9
179.07088	1.4
179.10606	1.0
181.04944	1.1
181.08597	1.5
182.05272	1.3
183.05112	1.0
183.06573	17.2
184.06865	0.6
193.08601	9.4
193.81441	0.4
207.10199	0.7
223.13139	0.7
228.25446	0.5
291.19617	1.6
333.24197	0.8
347.25824	2.5
365.26877	100.0
366.27216	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73779	1.5
70.74145	1.4
85.73306	0.7
101.00876	1.6
119.01923	9.4
137.02927	3.7
158.99883	1.1
177.00960	20.8
182.99992	0.9
201.01027	1.7
216.98909	2.2
217.04063	3.0
219.02028	31.2
219.40475	0.8
220.02238	1.4
222.97882	1.0
223.44641	0.6
223.58885	0.7
225.01170	2.2
234.99989	13.5
236.00009	0.9
240.98929	2.1
243.01981	5.8
253.01102	3.5
259.00006	25.3
260.00162	2.7
261.03079	92.3
262.03220	2.5
263.03159	0.8
264.99048	2.9
267.99603	0.7
273.98724	1.1
275.04654	2.3
277.01074	28.5
278.01135	2.8
279.00989	0.9
282.99997	48.8
284.00052	5.4
284.04755	2.8
285.00150	0.8
291.99808	2.3
301.01059	100.0
302.01193	7.9
303.01099	1.6
307.84805	0.6
315.02454	1.3
319.02182	5.8
324.02554	2.3
325.00909	7.4
343.02118	42.4
344.02209	1.8
354.50848	0.7
357.03461	1.4
358.99969	1.4
360.00095	1.3
361.03192	12.4
363.01022	1.7
363.51016	1.3
366.03671	1.6
372.01477	1.8
372.51840	1.0
385.03134	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	365.2323
Annotation	Antibiotic AB 80
Peak:m/z	Relative Intensity
52.38229	0.4
55.01868	0.9
55.05503	1.7
57.07073	0.6
64.61153	0.5
67.05505	4.6
67.75027	0.4
68.99788	2.1
69.03421	0.8
69.07051	2.4
69.85078	2.1
79.05475	0.6
81.03398	0.7
81.07061	3.5
83.08602	1.2
85.10201	0.5
91.05492	0.5
93.07022	0.6
95.08614	3.9
97.06533	0.5
97.10141	0.6
98.20894	1.2
99.04440	0.4
105.07004	0.6
107.08610	0.5
109.10140	2.5
111.04431	0.6
119.08572	0.6
123.04462	0.7
123.11747	0.5
124.01575	1.7
137.02342	0.6
139.03847	0.8
141.05472	4.3
152.01010	2.2
153.05470	4.5
165.16393	0.4
167.03403	100.0
168.03728	1.3
170.02136	2.4
179.07040	1.3
199.04105	0.4
207.17369	0.5
223.09673	1.0
223.13174	0.5
291.19559	1.3
329.20978	0.7
347.22192	4.1
351.62607	0.5
365.23004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.01854	2.3
55.05508	7.4
57.07080	12.8
67.05511	17.5
69.07066	14.4
69.32775	5.8
69.33198	7.5
71.05002	28.3
71.05378	1.6
71.08635	17.6
79.05492	2.3
81.07059	22.9
83.08611	9.1
85.06540	3.5
85.10185	8.5
91.05488	4.2
93.07054	3.8
95.08611	28.8
97.06570	2.0
97.10169	8.2
98.20842	4.9
98.21534	3.6
98.87487	1.5
107.08592	5.4
109.10171	14.9
111.11761	3.2
119.08572	4.9
119.38657	1.9
121.10169	2.4
123.11758	8.4
125.13277	2.1
131.08562	2.3
133.10152	6.6
135.11740	1.8
137.13274	3.5
141.05473	3.8
147.11662	3.0
151.11174	3.1
155.14301	3.5
161.13223	2.2
162.03131	2.3
165.16397	3.4
177.05463	7.5
189.16386	18.3
197.19017	100.0
207.17448	8.0
225.18517	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.05502	20.2
57.07067	8.3
63.94727	6.1
64.77801	4.9
66.12374	4.9
67.05509	41.4
69.07073	17.6
70.08248	25.0
71.08624	12.2
79.05482	13.7
81.07060	46.7
83.08589	11.4
85.10183	8.0
91.05505	10.2
93.07058	10.9
95.04971	5.1
95.08612	30.2
97.06502	7.9
98.20506	4.8
98.21156	16.9
105.07069	6.6
107.08628	7.7
109.06478	7.7
109.10149	9.0
112.17689	6.7
123.11716	8.2
133.10120	9.8
139.03897	7.1
141.05472	32.1
153.01884	8.9
153.05470	42.6
155.14342	11.2
163.14897	5.9
167.03403	100.0
167.07071	5.4
169.39133	4.8
177.05489	7.4
179.07085	11.7
181.15857	6.8
189.16420	18.7
193.04958	29.7
193.67694	6.2
195.06415	5.5
207.10216	13.4
207.17418	11.4
237.48628	5.7
318.44565	5.2
329.21533	6.4
347.22180	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01880	1.2
55.05509	3.9
57.03431	0.5
57.07066	1.4
59.88678	0.5
65.03922	1.0
67.01847	0.5
67.05168	0.7
67.05506	9.5
68.99786	2.3
69.03412	1.4
69.07066	3.6
69.56853	2.4
69.57267	1.0
71.04984	0.7
71.08630	0.7
79.05490	3.5
80.05823	0.5
81.03401	1.0
81.07059	8.8
83.04987	1.1
83.08609	1.8
91.05493	3.0
93.07065	3.0
95.04968	3.1
95.08613	7.7
97.02878	0.8
97.06497	1.2
97.10172	1.1
99.08086	0.7
105.07027	3.2
107.04924	0.8
107.08582	2.1
109.06522	0.7
109.10168	4.1
111.04427	0.7
111.08078	0.9
113.09625	0.9
119.08583	2.9
121.10137	1.4
123.04426	1.5
123.08051	0.8
123.11732	1.5
124.01549	2.1
125.09594	1.1
126.09779	0.5
131.08543	1.4
133.10126	1.9
135.08081	0.6
135.11685	0.6
137.06041	0.7
139.03839	1.2
141.04373	1.0
141.05472	17.7
142.05800	0.7
143.08556	0.6
145.10129	0.9
147.11714	1.1
152.01068	2.2
153.05461	10.4
157.10132	0.9
159.11671	1.4
161.09615	0.5
161.13298	0.6
163.14813	1.0
165.16447	0.9
167.03404	100.0
168.03734	1.9
170.02107	2.7
177.05484	1.1
179.07089	1.0
183.11768	0.6
185.13258	0.5
189.16382	1.5
193.05055	0.8
195.06555	0.8
207.17461	0.7
214.97194	0.5
291.19528	2.6
305.21115	0.6
329.21097	1.8
347.22183	7.2
347.26019	1.2
365.23279	2.4
368.03094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
54.24190	2.8
55.01873	3.0
55.05505	17.3
57.03429	4.8
57.07089	15.6
67.05510	32.4
69.07068	27.5
71.04987	28.8
71.08636	21.2
71.57758	2.9
74.10892	2.7
79.05480	12.9
81.07059	39.6
83.04967	4.7
83.08608	18.4
85.06541	5.6
85.10165	8.6
87.50848	3.1
89.77294	2.9
91.05461	16.2
93.07049	14.9
95.08607	35.2
97.02890	3.1
97.06507	3.2
97.10201	17.0
103.59937	2.9
105.07015	15.9
107.04864	3.2
107.08568	8.9
109.10148	20.3
111.11698	5.9
113.13657	3.4
119.08551	7.4
121.10153	10.8
123.11701	12.2
125.09611	4.8
129.37744	2.9
130.92068	3.3
131.08551	7.4
133.10110	11.4
135.11736	3.9
137.09663	3.0
138.96889	3.7
141.05460	5.4
147.11682	6.8
149.13246	5.9
151.11197	3.6
153.05424	3.8
155.14197	4.3
159.09201	3.1
159.11693	3.3
165.16313	3.6
167.03395	5.7
167.07024	11.3
177.05498	10.2
181.33568	3.5
189.16426	18.4
197.19028	100.0
207.17447	12.4
211.14917	4.7
225.18483	48.9
231.10223	3.3
280.53333	3.1
291.19556	16.8
319.41693	3.2
347.22366	3.3
365.20859	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	365.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
54.25627	1.8
55.01876	3.9
55.05513	17.3
57.03437	10.8
57.07059	4.1
67.05484	6.7
69.03431	15.9
70.82240	4.1
71.04984	5.2
73.06557	100.0
73.89777	1.7
79.05461	3.5
80.58602	2.0
81.03401	5.8
83.04992	13.3
83.70639	1.8
84.64543	1.8
85.02905	32.9
85.06548	78.8
89.06027	2.3
90.05560	2.9
97.02892	21.1
97.76724	1.9
98.21220	3.6
99.04462	5.0
101.05988	2.8
103.07579	25.6
109.02868	6.5
121.08581	5.7
124.07688	1.9
127.03928	17.6
131.07047	4.8
131.08496	2.0
131.86148	1.8
145.04971	14.0
145.10231	2.3
147.06503	2.5
163.06049	2.9
191.10628	1.9
199.09773	2.5
203.11198	3.2
210.49921	2.2
217.10703	2.9
263.08331	2.2
265.12827	4.7
317.08795	2.1
333.41470	2.3
365.02774	4.3
366.11285	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	365.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.6
53.33629	1.7
55.01865	6.6
55.05513	22.2
57.03424	5.8
57.07063	4.4
57.31025	2.0
59.05008	19.9
60.37932	1.9
67.05170	2.2
67.05508	31.0
69.03424	7.5
69.07069	25.3
69.25328	6.0
69.25754	13.5
70.49094	2.0
70.88972	1.9
79.05495	41.9
81.03400	3.1
81.07057	55.6
83.01335	7.2
83.04982	6.2
83.08621	6.4
86.91273	1.9
91.05485	52.3
93.07051	28.8
95.04978	8.9
95.08606	15.6
96.54426	2.0
97.02888	7.9
97.06533	2.5
97.10159	8.2
98.20679	4.4
98.21364	7.3
105.07033	46.6
107.01083	2.3
107.04971	4.5
107.08601	16.5
109.06534	3.0
109.10162	9.0
115.05472	4.6
115.11256	2.5
115.27604	1.8
117.07005	17.0
117.93959	2.0
118.05810	1.7
118.48822	1.9
119.08606	17.2
121.06496	6.9
121.10156	5.6
123.04443	3.0
123.08101	2.8
125.09609	5.5
128.06216	8.5
129.07025	16.2
130.07753	5.5
131.08569	33.6
133.10143	15.8
135.08049	4.7
135.11729	2.4
137.05989	4.6
137.09665	2.5
138.06697	2.1
139.03914	2.7
139.07535	14.2
141.06976	16.4
142.07808	3.8
143.08562	17.9
145.10143	18.5
147.08064	4.6
147.11687	5.5
149.09628	4.1
151.07539	12.0
153.05476	4.0
153.06851	2.1
154.06351	1.9
154.07790	5.6
155.07092	4.2
155.08540	14.5
157.10095	10.8
159.08055	2.2
159.11713	6.1
161.09671	3.8
163.11189	3.1
165.05450	2.3
165.09148	2.5
167.07054	100.0
169.10136	25.1
170.10832	2.0
171.11650	5.0
173.13269	4.0
175.07545	5.7
179.06998	4.3
181.08591	3.8
181.10121	4.8
183.11739	14.5
185.09778	2.3
185.13260	12.0
189.09119	3.4
189.11214	2.9
191.07047	25.6
193.08595	10.0
198.96162	1.9
199.14920	2.3
204.07872	6.5
205.08600	8.4
205.12212	5.0
207.10173	9.1
211.14816	42.6
211.16737	3.7
212.15587	2.6
217.08611	4.6
218.09291	2.2
219.10159	4.2
223.13242	13.2
229.08707	3.2
231.10191	14.8
232.10878	3.0
233.11723	20.5
241.08560	7.8
243.10109	2.6
245.11757	27.4
247.13303	3.0
253.15817	3.6
255.10246	5.2
257.11719	3.8
267.10214	2.3
269.11700	28.7
271.13312	9.9
273.18457	4.2
281.11728	2.7
282.12531	2.4
283.13385	7.0
284.14084	6.5
285.14865	5.1
291.19565	49.7
295.13281	4.3
297.15009	4.4
309.14780	5.1
310.15634	7.9
337.17902	2.9
344.31061	1.8
347.22339	2.2
365.20758	66.8
366.21201	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65005	0.9
71.17484	1.4
85.02916	1.5
98.21119	1.1
106.78576	0.9
119.01934	2.8
121.76054	1.0
143.01921	1.1
145.03479	1.1
161.02974	2.5
173.03055	1.5
185.02924	1.9
185.04259	22.0
203.05284	44.8
221.26765	0.9
245.05026	5.7
263.06104	1.1
365.10629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01857	4.3
55.05498	4.1
56.68718	1.6
57.03431	2.8
57.07083	1.4
57.54991	1.3
59.04984	2.0
66.11379	1.3
67.05502	17.5
69.03407	5.1
69.07051	3.0
69.69125	7.2
69.69558	2.2
71.04992	93.4
72.05336	1.3
73.06539	3.1
79.05054	2.0
79.05489	28.5
81.03412	2.8
81.07046	6.0
83.04982	14.4
85.02874	4.1
85.06547	12.0
87.04454	3.8
91.05479	44.9
93.07050	20.9
95.04970	6.9
97.02886	2.8
97.06532	3.8
99.04398	1.4
103.05452	3.3
105.06377	2.6
105.07027	32.0
107.04954	9.5
107.08599	9.0
109.02850	2.3
109.06509	3.3
115.05441	3.3
116.06228	3.3
117.05470	2.6
117.07019	18.5
119.07787	2.3
119.08579	28.5
121.06490	13.6
121.10145	5.9
123.04418	1.8
125.06004	7.6
127.03908	3.4
128.06194	3.3
129.07016	13.8
130.07748	4.9
131.04907	2.1
131.08568	100.0
132.08922	2.2
133.06480	1.8
133.10150	6.6
135.08046	2.0
135.11682	3.7
137.05966	3.5
137.09605	1.6
139.07552	4.3
143.08568	5.0
144.05748	2.3
145.06496	13.9
145.10117	52.6
146.10472	1.4
147.08051	8.4
147.11665	4.0
149.05971	5.2
149.09610	20.0
153.01820	3.7
153.06970	1.8
155.08536	4.0
161.09608	5.2
163.11203	14.4
165.09094	3.7
167.07083	9.0
167.10701	3.6
167.29553	1.3
173.09615	41.6
179.10674	10.5
191.10677	62.2
209.11751	17.9
210.12076	1.6
227.12758	5.1
276.69617	1.5
329.10834	2.4
347.11868	10.4
365.02908	1.5
365.12659	14.4
365.17114	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	365.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62490	1.1
55.01868	1.5
55.05499	3.9
57.03431	1.4
57.99475	1.2
67.05507	15.8
69.03424	4.1
69.07027	1.2
69.72662	1.0
71.04994	84.8
73.06560	12.4
79.05489	23.1
80.16769	0.9
81.03393	1.4
81.07045	4.6
83.04983	13.7
85.02908	3.1
85.06069	1.4
85.06550	19.7
87.04458	2.3
91.05480	36.9
93.07050	15.4
95.04976	5.1
97.02914	3.0
97.06493	1.8
98.20959	5.3
99.04438	1.4
103.05454	3.0
103.07564	2.4
105.07035	23.2
107.04961	7.2
107.08579	6.3
109.02907	1.6
109.06505	2.0
111.04366	1.2
115.05474	2.8
116.06226	3.4
117.07027	22.9
119.07788	1.7
119.08586	26.1
121.06495	9.7
121.08601	0.9
121.10185	5.0
125.06005	6.5
127.03889	2.1
128.06236	3.0
129.07016	13.9
130.07767	4.8
131.08572	100.0
132.08910	2.1
133.06494	1.4
133.10121	3.4
135.11691	3.5
137.05966	1.6
139.07556	6.2
143.08534	4.4
145.05026	0.9
145.05453	1.1
145.06503	8.8
145.10129	51.6
146.10477	1.2
147.08052	3.2
147.11703	4.2
149.05960	3.6
149.09598	17.1
155.08534	3.5
158.07259	1.2
161.09595	4.0
163.07573	1.6
163.11172	11.7
165.09186	3.1
167.07042	6.7
167.10718	2.4
173.09625	24.0
179.10683	8.3
191.10680	52.3
209.11752	16.3
221.00830	2.3
227.12874	5.2
296.96851	1.0
347.11475	4.4
354.20724	1.3
355.53894	1.1
365.12695	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	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83700	9.0
85.25281	1.5
98.21081	4.2
185.02908	1.9
185.04253	21.5
186.65396	1.5
203.03413	1.7
203.05287	46.8
245.05002	5.5
365.10867	100.0
366.10880	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27302	0.5
62.28391	0.6
65.19427	0.6
70.08508	1.5
98.21136	1.7
101.00887	1.3
107.88147	0.5
119.01902	1.6
131.01941	1.1
143.01945	1.9
145.03485	1.3
155.01906	0.6
157.03497	0.9
161.03021	0.7
173.02989	1.7
185.03000	1.2
185.04242	21.4
193.31509	0.5
203.05283	46.5
232.52480	0.6
245.05115	3.7
263.06149	1.2
275.06131	1.0
344.09085	0.7
365.10590	100.0
366.10736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88336	1.8
53.03947	5.1
53.93017	2.4
55.00336	1.8
55.01877	14.9
57.03430	4.4
57.07077	35.1
59.04996	3.5
60.04528	6.3
67.05505	8.7
68.32967	2.2
69.03440	22.9
69.07067	10.7
70.00597	8.7
70.02954	7.6
71.05003	2.9
72.04514	25.4
73.02902	13.5
76.98006	1.9
79.05491	2.3
81.03420	30.6
81.07047	2.7
83.04970	5.0
85.02911	25.5
85.06535	11.1
86.09686	6.9
87.08096	3.2
90.05560	50.1
95.04967	9.2
96.08147	4.7
97.02885	20.1
98.02421	17.0
98.20809	2.6
99.04449	11.3
100.03985	7.7
103.07565	9.2
105.07039	2.9
109.02873	32.3
111.04430	2.7
111.77977	2.2
112.07635	2.5
113.06009	8.8
116.03444	18.8
118.05022	43.6
123.04420	2.7
124.07583	22.0
127.03929	28.4
129.99722	2.4
131.07050	4.3
132.06563	6.5
139.03903	3.6
142.08653	17.7
145.04982	10.4
146.07103	2.2
153.01837	3.8
156.10257	2.3
157.04930	2.2
159.53470	2.2
160.09641	5.7
166.08617	3.4
168.07404	3.4
172.09662	2.4
173.08241	21.9
174.11249	6.9
181.05002	3.1
184.09712	31.2
193.04965	2.0
196.06108	2.2
199.06007	10.4
202.10753	100.0
203.09296	2.4
203.11343	2.4
211.09692	6.7
216.08693	6.1
217.07111	7.6
220.11790	36.4
229.07181	27.7
229.10762	7.3
230.10223	5.9
234.09692	18.9
244.12001	3.2
247.11819	9.6
254.37303	2.2
262.12827	12.1
310.12881	4.2
328.13959	26.7
338.01917	2.3
346.15018	28.7
364.15997	19.9
364.19885	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	365.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88136	1.0
55.01862	1.9
55.22101	1.0
56.63311	1.0
56.96568	16.9
57.03437	3.0
60.48878	1.1
61.02927	2.8
67.05510	1.6
69.03435	9.5
69.91734	4.6
71.04990	3.1
73.02918	3.3
79.01862	2.1
80.04984	1.2
81.03439	5.1
83.04987	3.0
84.04491	1.3
84.96049	2.2
85.02904	10.3
91.05460	1.1
97.02910	8.7
98.21365	2.3
98.97591	100.0
99.04448	4.0
101.00884	1.4
104.70085	1.0
107.53084	1.1
109.02868	2.1
110.97573	7.4
113.03478	2.5
116.98628	52.8
119.01929	5.9
121.01709	2.5
123.04424	1.3
124.99103	5.6
127.02413	1.2
127.03922	5.0
128.98605	12.5
130.06537	18.4
131.00197	1.8
131.01923	5.3
132.04463	3.1
133.03497	1.3
134.99669	19.3
139.03889	2.3
143.00179	20.4
143.01935	2.3
144.08099	1.1
145.03429	3.3
145.04987	1.4
145.10117	1.9
146.06030	4.0
146.99690	6.2
149.01201	1.7
149.06618	1.1
153.00748	2.4
153.01863	7.3
155.01953	2.1
157.01691	6.5
157.03503	1.6
157.07629	13.8
158.06056	5.4
158.99664	40.5
159.03296	1.9
160.07687	1.3
161.01236	43.5
161.02921	4.1
161.06618	4.5
162.03023	1.3
163.02737	5.3
163.11302	1.3
169.07693	5.8
170.08357	2.5
170.99651	7.1
171.05026	1.5
173.01245	2.0
173.02945	3.9
173.06844	1.2
175.02829	11.9
175.04338	2.4
175.08627	3.1
177.00728	55.7
177.04205	2.5
179.02287	13.6
179.07661	2.1
182.08388	1.5
183.08987	1.3
185.01218	12.4
185.02882	2.0
185.04536	1.2
185.06923	4.7
186.99162	1.3
187.02751	2.6
187.04318	1.2
189.00739	12.4
191.02391	1.6
191.10762	1.6
193.01657	1.2
195.01823	3.0
196.02101	1.3
197.06818	2.3
199.08621	1.2
200.02266	1.7
201.00688	2.1
203.02298	41.5
203.04048	2.7
203.05692	4.3
203.08060	21.0
205.03879	1.4
206.08498	1.9
207.01851	3.0
207.09181	3.9
213.06593	1.8
215.02225	1.5
215.07742	7.8
217.03845	19.6
217.05797	1.6
219.01849	6.5
221.03317	10.5
221.05147	4.3
225.06479	1.3
227.02017	1.2
227.08101	1.4
229.03836	3.4
231.07616	2.0
233.03310	3.5
235.00963	1.2
237.02823	8.1
239.05972	2.0
239.08165	1.5
241.07056	1.6
243.07649	2.7
245.03296	31.0
247.04895	2.8
251.04468	1.8
255.03870	2.0
257.09323	1.5
263.04315	23.4
265.05887	2.2
275.04376	4.2
277.03232	1.7
277.06012	3.8
279.03894	4.5
281.05307	1.7
286.06012	1.4
294.00522	1.2
299.10214	1.3
303.01474	1.3
305.05624	6.0
305.10855	17.3
311.10199	1.4
323.06567	8.3
323.12085	1.6
329.11374	1.6
341.07544	2.2
347.12451	7.9
348.10764	2.2
363.03061	1.6
365.03796	1.3
365.09851	7.5
365.14151	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96367	0.6
53.03934	1.5
55.01857	1.8
55.05260	1.2
55.05511	16.9
57.03426	1.2
57.07078	17.8
59.04986	1.1
61.55738	0.6
63.54852	0.6
65.03931	1.1
67.01864	2.1
67.05509	9.3
68.99786	2.1
69.03070	1.2
69.03428	12.6
69.07072	21.1
71.04962	1.0
71.08630	6.2
71.57488	1.0
79.05499	7.6
81.03405	1.0
81.07057	13.3
83.00889	1.3
83.01342	18.2
83.05003	5.7
83.08215	1.1
83.08629	12.7
85.02898	1.0
85.10174	2.5
89.06017	2.4
91.05479	3.0
93.07047	12.2
95.04953	3.0
95.08612	9.4
97.02894	1.3
97.06536	8.7
97.10185	7.4
105.07011	2.5
107.04964	1.9
107.08601	8.8
109.06509	1.6
109.10159	3.2
111.04451	9.5
111.08065	3.0
111.11753	2.1
113.05961	0.7
117.07036	0.7
119.08591	1.1
121.06470	1.7
121.10141	7.2
123.04408	1.5
123.08049	1.6
123.11711	1.6
125.02354	16.9
125.06010	6.5
125.09617	2.8
131.08612	1.0
133.08563	1.1
133.10164	1.1
135.08067	1.5
135.11707	7.2
137.09627	1.1
139.03847	1.5
139.07549	2.3
139.11165	2.2
140.04709	6.3
141.05469	17.0
145.10114	1.7
149.09622	2.0
149.13255	3.1
153.01843	2.3
153.05469	21.8
153.09085	1.7
153.12646	0.8
157.08592	1.9
161.13252	0.7
163.07549	1.0
163.11183	1.7
163.14830	1.5
167.07043	2.7
167.10736	1.2
171.10175	1.8
177.09088	0.8
177.12704	0.9
177.16371	0.9
181.04959	7.6
181.08513	3.4
181.12183	1.8
185.11603	1.5
191.14262	1.3
195.10281	3.5
195.12044	0.8
195.13873	0.9
199.13342	1.3
205.15900	0.9
209.11754	5.8
209.15396	0.7
223.13292	9.6
223.16840	0.7
237.14899	11.1
250.06416	0.8
251.04539	1.7
251.06796	1.5
251.16426	12.8
265.17984	11.4
279.19537	12.1
293.21127	12.3
307.10809	0.9
307.22739	9.3
307.26285	1.8
321.24234	5.5
345.27957	1.2
363.28955	100.0
364.29343	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.74115	0.9
55.01877	14.3
55.05520	1.7
57.03442	3.4
57.07071	8.7
59.04994	1.8
60.04521	2.1
61.46138	0.9
67.05508	6.7
69.03433	16.7
69.07072	7.9
69.69106	4.8
70.02955	6.6
71.04977	2.7
72.04522	26.6
73.02918	12.3
74.02437	3.1
79.05486	1.3
81.03425	17.1
82.71641	0.9
83.04980	5.3
85.02909	14.8
85.06545	10.8
86.09699	4.0
87.08100	3.5
90.05562	60.9
95.04975	10.0
96.08141	2.6
97.02905	14.8
98.02417	18.9
98.03045	1.0
98.20941	1.9
98.21484	1.2
99.04475	6.2
100.03997	5.1
103.03945	1.2
103.07588	3.1
107.08601	1.2
109.02891	24.5
111.04453	1.0
112.07608	1.2
113.06044	5.4
116.03461	22.0
124.07603	26.1
127.03927	20.4
130.08681	1.4
131.07100	2.3
132.06552	7.3
132.10197	1.4
139.03928	1.4
142.08640	16.6
145.04982	7.3
156.10239	1.9
158.04482	1.2
160.09695	7.2
166.08684	4.6
167.07047	2.8
168.07413	1.7
169.04942	1.4
172.09706	5.4
173.08174	1.1
174.11285	6.4
177.58641	0.9
178.89767	1.0
181.05032	2.0
184.09702	34.3
187.05956	2.4
198.07664	2.9
199.06042	12.3
202.10760	100.0
203.11337	1.9
211.09676	7.4
216.08711	6.8
217.07104	10.8
220.11818	38.5
226.10777	0.9
230.10263	7.3
234.09737	15.2
239.83089	0.8
244.11823	4.3
262.12866	14.1
310.12891	6.0
328.13934	27.9
346.15045	13.2
364.16083	16.1
364.27020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01865	1.6
67.05501	3.3
69.03417	2.7
69.07060	1.6
69.46844	6.9
70.02956	1.0
71.04987	8.4
72.04510	3.1
73.02945	2.1
73.06548	1.8
78.04716	1.9
79.05507	3.9
81.03416	2.4
83.04977	2.5
84.11124	0.9
85.02913	3.8
85.06544	2.8
85.09399	0.8
86.09734	0.8
87.04499	1.0
90.05541	6.1
91.05483	5.3
95.04982	2.2
97.02901	3.0
98.02420	2.5
98.20831	1.4
98.21458	1.8
99.04476	1.0
103.05497	1.5
104.09523	0.8
105.07043	2.5
106.04185	1.2
107.04945	1.2
109.02876	3.8
116.03492	3.1
117.07034	2.2
119.08581	2.4
121.06553	1.1
123.04443	4.8
124.05244	2.0
124.07584	2.3
127.03936	3.9
129.07013	2.2
131.04869	2.1
131.08575	11.8
131.80965	0.9
133.10104	1.0
139.07578	1.0
142.08578	1.6
143.71284	1.0
145.04997	1.0
145.10158	5.1
145.67589	1.1
148.05194	1.4
149.09596	1.3
151.03934	1.3
152.04684	1.4
159.27950	0.9
163.07532	1.7
163.11243	1.1
167.07050	100.0
168.07379	2.9
172.09727	0.9
173.09669	3.2
178.62709	1.0
184.09761	5.1
188.46545	0.9
191.10640	4.3
199.06094	1.2
202.10744	10.4
209.11757	1.5
217.07115	1.3
220.11763	4.4
230.10196	1.2
234.09738	3.0
262.12744	1.9
328.13898	3.5
346.14944	1.7
358.14111	1.0
364.16599	1.7
365.12814	1.4
385.40207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2529
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
55.01870	0.8
55.05299	0.3
55.05516	3.4
57.03432	0.3
57.07083	1.9
63.16050	0.3
64.15376	0.2
65.03941	0.3
67.01862	1.9
67.05502	1.9
67.99158	0.3
68.99786	1.0
69.03440	1.4
69.07068	3.3
69.27482	2.6
70.06578	0.3
70.45270	0.3
71.08617	0.9
72.07797	0.4
72.08160	6.0
73.08494	1.4
74.90306	0.3
79.05488	1.3
81.03410	0.5
81.07053	2.3
83.04987	0.3
83.08617	2.4
85.06535	0.3
91.05469	0.4
93.07031	0.9
95.04977	0.4
95.08620	1.8
97.02879	0.7
97.06538	0.3
97.10173	1.5
98.06054	0.5
98.21014	1.1
98.21590	0.2
107.08602	0.8
107.15835	0.3
109.06487	0.3
109.10132	0.7
111.00801	0.6
111.04446	0.6
111.08108	0.3
111.11761	0.6
121.10133	1.3
123.04415	1.1
123.11724	0.5
127.03918	4.1
135.11676	0.7
137.05995	1.1
139.03909	11.9
149.06007	0.6
149.13292	0.5
151.03949	0.6
153.01833	100.0
154.02185	0.7
155.03391	3.0
163.03934	1.0
165.05524	1.9
167.03427	0.7
167.07053	0.5
171.02901	0.6
177.05492	0.8
181.04971	6.8
191.07048	0.8
193.08551	1.4
195.06561	0.8
205.08755	0.4
209.08067	0.4
219.21056	0.7
237.22171	0.6
265.23624	0.4
292.23755	0.3
333.11752	0.3
345.24271	1.1
363.25302	20.1
363.30804	3.9
364.25638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2531
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
55.01872	0.7
55.05514	2.0
57.07072	1.2
59.05018	0.2
59.82374	0.2
67.05507	2.4
68.99799	0.4
69.03427	0.3
69.07079	3.1
71.08617	0.9
71.57677	0.2
71.58098	0.3
79.05495	1.9
79.68269	0.2
80.31721	0.2
81.03429	0.3
81.07064	2.3
83.00886	0.3
83.01341	2.6
83.04971	0.9
83.08622	1.4
85.10155	0.3
89.06020	0.7
91.05466	0.6
93.07043	1.6
95.05014	0.4
95.08603	1.6
97.06524	0.9
97.10165	0.9
105.07020	0.4
107.04977	0.3
107.08586	0.8
109.06507	1.4
109.10176	1.2
111.04456	0.6
111.08070	0.5
111.11701	0.8
117.69480	0.2
119.08532	0.3
121.06483	0.3
121.10143	1.3
123.04422	0.4
125.05971	0.8
131.08521	0.4
133.06563	0.4
133.08611	0.3
135.08018	0.3
135.11688	1.1
137.05995	2.8
138.03114	2.9
141.05470	0.3
144.96915	0.2
145.06493	0.2
149.13222	0.2
151.03955	0.3
151.07538	0.9
153.05453	1.0
154.06264	0.3
155.07037	5.0
161.05992	0.6
165.09125	0.8
166.02629	3.1
167.07053	14.5
168.07442	0.2
176.04713	0.3
177.05455	0.6
177.09068	0.5
178.06204	0.4
179.03297	0.3
181.04968	100.0
182.05331	1.2
183.06494	0.8
184.03680	5.0
190.06200	0.3
191.07063	2.2
191.17975	1.4
193.08633	2.7
195.06561	0.4
203.07118	0.3
205.08624	0.7
209.08090	2.4
209.18909	0.5
219.10167	1.0
221.11768	0.8
223.09679	0.5
233.11699	0.4
251.04788	0.4
280.17395	0.2
345.24274	1.7
361.06555	0.3
363.25308	30.3
364.25510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
54.30894	1.0
55.01871	2.2
55.05500	4.6
57.03429	2.0
57.07077	14.4
67.01865	2.9
67.05505	14.7
68.99791	3.3
69.03419	1.1
69.07065	3.8
69.73307	6.1
71.01343	1.2
71.08632	20.5
71.83135	0.9
79.05496	24.0
79.05953	1.7
81.03417	3.6
81.07054	15.2
83.04970	1.9
83.08615	3.0
85.06535	1.3
85.10183	40.5
91.05486	5.1
91.88745	0.9
92.95888	1.1
93.07059	14.3
95.04980	4.1
95.08614	13.9
97.06528	2.5
97.10161	1.1
98.21410	2.4
99.08089	27.7
105.07044	3.0
107.07948	1.2
107.08608	10.7
109.02856	1.9
109.06508	3.2
109.10152	3.7
111.04461	1.7
111.08086	5.3
113.06029	1.0
113.09647	68.5
114.09992	1.3
117.07032	1.6
119.08547	1.8
121.06515	2.2
121.10166	9.4
123.04461	2.2
124.01599	2.0
126.03146	1.4
127.03918	2.3
131.08537	2.1
133.10156	1.2
135.08072	3.5
135.11690	2.1
139.03929	2.0
141.05467	99.7
145.10130	1.5
149.09615	4.0
152.01096	2.7
153.01863	11.1
153.05473	8.7
153.09064	1.5
154.02217	1.1
155.10670	20.6
159.11760	1.1
163.14813	2.2
165.05443	1.5
167.03404	100.0
170.02071	1.8
177.05486	3.6
177.16341	5.0
181.04898	1.4
183.05496	1.5
187.14871	5.6
195.06599	1.5
195.17450	59.0
205.15894	15.5
217.08598	8.2
217.79007	1.0
223.16925	30.7
242.20923	1.0
251.12823	1.7
271.67352	0.9
297.34583	1.1
345.20514	2.3
363.21356	6.1
363.25266	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	363.2529
Annotation	CHEBI:70284
Peak:m/z	Relative Intensity
52.07708	4.6
55.01869	5.8
55.05510	19.6
63.05269	4.3
67.05505	83.0
68.99785	8.1
69.07072	20.0
70.93002	5.4
70.93320	6.9
79.05501	21.8
81.06583	5.4
81.07058	100.0
83.08620	11.6
91.05487	10.5
93.07051	21.0
95.04973	5.1
95.08609	79.3
96.33806	4.8
97.06538	15.2
105.07055	10.1
107.08591	19.6
109.06512	6.4
109.10169	37.7
109.62837	5.1
111.00814	17.6
111.04413	7.5
118.36768	4.6
119.08596	9.2
121.10187	14.1
123.04468	5.2
123.08099	6.6
123.11728	13.7
133.10123	6.1
135.08072	5.1
135.11717	7.3
137.13290	7.0
139.03905	18.3
141.05458	5.3
142.16711	4.8
145.10181	4.9
149.13264	5.9
153.05461	9.8
153.09177	6.3
163.14798	6.0
167.03439	22.1
187.14711	6.6
209.11624	4.9
223.13365	9.8
235.13121	6.4
237.14873	10.4
249.14961	5.3
251.16318	10.0
263.16397	7.0
265.18204	5.8
289.18030	6.4
327.23486	5.3
345.24347	16.4
349.71313	5.7
361.07703	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	363.2529
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
53.03937	0.4
55.01867	0.3
55.05306	0.2
55.05513	1.9
57.07061	0.5
66.48344	0.1
67.05223	0.1
67.05508	1.6
69.03418	0.3
69.06727	0.2
69.07071	3.0
69.91988	0.8
71.08630	0.3
72.04419	0.1
79.05495	1.6
81.07060	1.3
83.01343	1.5
83.04960	0.3
83.08621	1.1
85.10168	0.2
85.85516	0.1
91.05464	0.5
92.93233	0.2
93.07046	1.0
95.04945	0.4
95.08598	1.3
97.02899	1.3
97.06537	1.5
97.10181	0.8
98.20886	0.3
98.21473	0.3
105.04443	0.2
105.07024	0.2
107.04949	0.8
107.08576	1.1
109.06490	0.3
109.10152	0.8
111.04450	0.2
111.08051	0.4
111.11710	0.4
119.08617	0.2
121.06509	0.2
121.10167	1.3
123.11708	0.2
125.05980	1.2
131.08583	0.1
135.04437	0.5
135.08076	0.3
135.11723	0.8
137.05974	0.6
139.07529	0.5
140.53192	0.1
147.08009	0.2
149.09608	0.2
149.13109	0.2
151.07574	0.8
153.05431	0.7
155.07034	3.7
159.08098	0.2
163.04018	0.2
165.09215	0.2
167.07056	5.9
175.07562	0.5
177.05472	0.4
177.09149	0.4
179.03423	0.4
179.07039	0.4
181.04964	100.0
182.05315	1.1
182.51839	0.2
183.06508	0.9
191.07010	0.8
191.17944	1.0
193.08658	0.9
195.06538	0.4
197.08076	0.2
199.05769	0.1
205.08644	0.8
209.08087	1.7
209.18997	0.6
219.10173	0.3
221.11775	0.6
223.09705	0.4
345.24240	1.2
346.82523	0.1
363.25302	26.6
364.25546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2165
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
55.01854	3.1
55.05509	2.9
59.35362	2.7
67.05499	22.1
69.07058	3.5
69.73088	11.9
69.73498	4.3
79.05492	24.3
81.07056	19.2
81.92722	3.1
91.05470	9.4
93.07037	26.8
95.04947	3.8
95.08607	20.1
98.20934	5.4
99.03893	3.5
105.07022	11.2
107.08581	15.8
108.10490	2.6
109.10137	7.3
119.08556	7.7
121.10162	23.4
123.04482	3.0
129.10524	2.9
131.08559	6.6
133.10143	4.7
135.11694	2.7
141.05467	20.0
145.10149	4.8
149.09630	4.8
152.01047	2.9
153.05472	29.0
154.83725	2.6
161.13268	9.1
163.14807	11.6
167.03412	100.0
167.07019	5.1
179.07037	5.2
187.14809	10.7
195.06479	5.6
205.15901	6.5
207.10123	4.9
327.19550	6.5
345.20557	6.3
365.11642	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	363.2166
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
53.03926	0.7
54.98100	0.5
55.01865	2.8
55.05511	4.0
57.06826	0.6
57.07076	9.8
63.31916	0.6
64.33833	0.5
65.03957	0.8
67.05160	0.8
67.05502	8.3
68.99773	1.2
69.07074	4.5
71.04956	0.5
71.08636	10.4
71.11473	1.1
79.05495	5.1
81.03404	0.8
81.07057	9.5
83.04979	3.1
83.08611	1.9
89.58743	0.6
91.05477	1.7
92.05872	0.6
93.07055	4.9
95.04969	1.5
95.08611	5.8
96.08931	0.7
97.06526	4.4
97.10172	0.6
98.06872	1.3
99.04449	1.1
99.08108	0.6
105.07028	2.1
107.04931	1.2
107.08612	3.6
109.02869	0.7
109.06493	1.3
109.10152	1.6
111.04427	2.0
117.07041	0.9
119.04923	1.3
119.08514	0.8
121.06532	0.9
121.10185	4.2
123.04437	6.7
123.08049	2.2
123.11689	1.2
124.01550	1.7
124.08379	1.3
125.05994	0.8
131.08575	1.1
135.08022	1.0
135.11693	1.3
137.05983	1.3
139.03888	1.8
141.05469	9.9
141.12761	1.7
142.05800	1.7
143.06033	0.7
147.04382	1.3
149.13286	0.9
151.07542	5.0
152.00990	1.9
152.07806	1.0
153.05467	9.6
155.14322	1.5
161.06029	0.6
162.03140	1.8
163.03912	0.9
163.07564	2.0
164.04617	0.6
167.03406	100.0
167.07103	2.4
168.03757	3.9
169.03941	1.8
170.02103	0.9
172.38467	0.5
176.04793	0.5
177.05464	16.1
177.09103	0.6
177.16393	3.1
179.07039	17.2
181.04906	0.7
191.07033	7.3
195.06506	3.0
195.17487	2.3
203.14127	0.5
204.14520	0.6
205.08632	2.1
222.15710	0.8
223.09644	3.7
223.17014	4.5
227.23128	0.6
233.08260	0.7
241.17897	0.6
303.19492	3.0
303.35800	0.6
317.21143	1.2
345.20642	1.8
363.21655	45.5
364.21906	1.0
382.21082	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	363.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26966	1.5
53.03940	3.5
55.01870	1.8
55.05521	14.6
57.03437	2.9
57.07089	8.3
59.05001	3.1
59.12642	1.7
65.82800	1.6
67.05175	2.8
67.05511	43.7
69.03436	2.9
69.07070	11.2
70.84575	3.9
71.04980	3.2
71.08619	4.8
79.05055	2.6
79.05499	36.7
81.03421	2.3
81.06576	3.3
81.07062	65.9
83.01354	3.9
83.04978	4.0
83.08634	9.0
85.06538	3.8
89.06029	5.2
91.05488	19.0
93.07055	31.8
95.04982	4.9
95.08060	3.1
95.08619	47.3
97.02908	2.2
97.06528	8.4
97.10145	4.9
105.07039	9.5
107.04977	1.8
107.08604	25.4
109.06496	7.8
109.10161	9.0
111.04506	2.4
111.08094	7.5
117.07014	6.2
119.08576	8.4
121.06474	4.2
121.10150	15.4
123.08076	4.0
123.11737	2.6
125.05949	2.5
125.09649	2.8
125.11520	1.5
127.07565	2.5
129.06979	1.5
131.08583	30.9
133.10123	3.0
135.08098	3.6
135.11713	3.3
137.05965	12.0
137.09648	2.0
139.07538	7.8
141.05464	2.8
145.10133	5.5
147.08012	3.3
147.11681	9.7
149.09534	2.8
149.13266	10.3
151.07562	10.3
153.05515	2.3
153.09077	2.2
155.07037	57.5
163.14812	10.6
165.09143	4.2
165.12740	2.0
167.03432	18.0
167.05623	2.7
167.07050	48.2
171.11749	1.9
173.13275	35.3
175.07506	4.7
178.22310	1.7
181.04970	100.0
183.06505	5.4
184.84390	1.7
191.07022	5.7
191.14313	5.9
193.08620	4.8
195.12306	2.5
209.08171	1.8
209.15341	9.7
216.11086	1.9
225.28842	1.6
236.68854	1.5
325.79416	2.0
345.20648	6.5
363.16211	5.4
363.21680	8.1
363.28848	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	363.2165
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
53.29636	3.2
57.07084	14.8
57.48081	2.8
67.05497	11.0
68.99767	3.3
69.07073	3.5
70.62103	8.3
71.08618	11.1
75.70292	2.6
79.05503	17.9
81.07042	10.4
83.08617	2.8
85.10190	46.7
88.44973	2.7
91.05495	6.5
93.07036	13.5
95.08611	12.3
98.21078	5.7
99.08092	8.5
107.08576	8.4
109.10146	4.4
111.08063	7.3
113.09653	80.6
121.10066	5.3
135.08029	4.9
138.53418	2.6
141.05472	100.0
145.10159	3.2
153.05479	7.2
155.10698	17.5
163.14893	3.9
167.03410	84.7
177.05482	3.2
181.06932	2.9
183.88474	3.0
195.17456	61.2
195.19096	5.2
205.15894	11.2
217.08612	7.1
223.16930	23.4
224.19264	3.1
256.84503	2.7
283.66519	3.2
314.88223	3.4
363.21692	9.0
371.69269	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	363.2166
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
55.01887	0.7
55.05512	1.8
57.07079	20.3
61.18261	0.3
65.03925	0.4
67.01875	1.1
67.05505	6.0
68.99786	1.7
69.07078	1.0
69.46864	2.6
71.01379	0.3
71.05007	0.5
71.08636	17.7
79.05488	2.0
80.71935	0.4
81.03420	0.5
81.07060	9.2
83.04989	1.0
83.08599	0.6
86.00311	0.3
91.05502	0.4
93.07044	2.6
95.04974	0.7
95.08612	2.4
97.02896	0.4
97.10211	0.7
98.21017	1.2
99.04475	0.6
107.08609	1.4
109.02888	0.8
109.10158	0.6
111.04472	1.7
121.10149	2.9
123.04440	0.7
123.11713	2.5
124.01579	1.9
126.03140	0.7
127.03968	0.5
135.11685	1.4
137.02362	0.5
139.03865	0.6
141.05472	60.8
141.12743	16.7
142.05801	0.7
152.01079	2.0
153.01855	0.9
153.05484	1.2
163.14919	0.3
165.12772	0.3
167.03409	100.0
168.03745	1.4
170.02145	2.7
177.16382	3.8
177.53886	0.4
179.07048	0.5
181.15804	0.5
185.04524	0.4
187.14703	0.7
205.08649	2.9
205.15907	0.5
208.63326	0.3
223.09645	10.6
223.16930	0.8
259.47156	0.4
295.29013	0.4
328.54025	0.3
345.20551	0.9
363.21689	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	363.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87672	2.0
53.95962	2.2
55.05500	8.3
57.03439	2.6
57.07059	2.3
67.05177	2.4
67.05509	30.0
69.07054	2.4
71.44859	3.1
74.28355	1.8
79.05498	14.5
81.07061	27.2
83.05000	4.4
83.08612	2.5
85.06523	2.2
87.28749	2.1
91.05479	9.7
93.07048	24.0
94.94133	2.1
95.08618	17.6
97.06504	2.4
97.51472	1.9
99.08090	5.9
105.07034	9.2
107.08600	13.3
109.10149	8.3
117.07015	2.3
119.08522	4.8
121.10150	19.4
121.56830	2.1
123.11691	2.4
125.06015	4.5
131.08603	5.7
135.11682	3.6
137.05936	3.0
137.29327	2.0
139.03902	2.6
139.11195	3.4
141.05466	15.4
145.10146	6.9
153.05475	22.3
158.27182	2.2
159.11699	3.8
161.13235	9.1
163.14839	13.1
167.03412	100.0
167.07050	5.0
179.07045	4.8
181.04926	2.7
187.14828	10.5
191.61832	2.0
195.06596	7.2
205.08598	4.0
205.15877	7.3
207.10281	2.8
209.08154	3.7
223.16957	2.9
297.94708	2.0
298.01962	2.0
307.45987	2.1
327.19562	3.8
345.20361	4.0
363.21683	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	363.2168
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
53.03946	9.7
55.01884	7.5
55.05499	33.2
57.07081	61.6
58.07408	9.2
67.05506	57.3
69.07066	25.1
69.81373	48.7
71.08643	9.9
74.09726	70.9
75.10035	17.4
79.05482	67.4
81.07063	93.8
83.01328	9.3
83.04974	9.0
83.08616	10.9
85.06542	17.5
85.10197	43.2
91.05487	35.4
93.07050	68.7
95.04981	25.2
95.08610	100.0
97.06528	16.2
98.20837	18.3
98.21376	15.6
105.07042	22.0
107.08591	50.8
109.06529	20.9
109.10165	32.1
111.08096	12.9
113.09662	79.1
114.99728	7.3
117.07012	9.7
117.99558	8.4
119.08594	23.2
121.06511	11.3
121.10165	27.4
123.08080	10.5
123.11738	10.0
131.08571	25.2
133.10175	10.3
134.93004	8.6
135.08087	15.9
135.11778	9.8
136.98154	8.4
141.05487	54.5
143.22655	9.2
147.11713	21.5
149.09583	10.6
151.07535	18.2
153.09167	9.9
155.07063	43.9
155.10698	21.3
163.11134	9.3
165.12779	45.4
166.13087	27.8
167.03406	84.5
167.07048	17.7
169.08591	35.3
169.09924	8.1
173.13287	17.6
181.04974	80.2
185.13689	8.4
187.14844	11.6
191.07018	11.8
195.17450	53.5
211.18715	9.4
223.16936	24.3
264.23288	8.7
265.23535	17.0
267.85773	8.4
290.21960	12.6
340.52045	8.8
354.28217	8.0
363.30725	36.2
372.14453	7.8
381.85220	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	363.1802
Annotation	Humirianthol
Peak:m/z	Relative Intensity
53.03939	5.4
55.05489	10.1
57.07069	9.4
60.59777	3.7
67.05202	4.1
67.05508	26.4
68.99800	4.9
69.03437	4.6
69.07070	9.0
71.57774	5.1
71.93248	3.6
77.49419	3.6
79.05500	34.5
80.30752	3.6
81.03421	5.7
81.07066	21.4
82.92778	3.5
83.01395	4.6
83.08611	7.3
91.05490	20.1
93.07060	56.4
95.04958	11.9
95.08615	18.9
105.07035	9.9
107.08607	19.2
109.10204	6.0
117.07022	8.8
119.08552	8.7
121.06470	4.4
121.10149	6.5
123.11677	4.2
126.75996	4.3
127.03965	7.6
131.08597	7.7
133.10173	7.7
135.08064	5.5
135.11697	49.9
135.28049	4.3
139.03932	23.2
141.05528	4.6
143.69313	3.6
145.10115	5.0
149.09602	5.1
149.13257	5.8
153.01845	100.0
153.05470	7.5
159.11720	7.3
167.03430	15.9
167.07005	4.7
169.08662	5.0
177.12758	10.3
179.03412	7.4
181.04935	19.7
285.14883	10.4
303.15857	10.1
363.19382	9.2
363.25333	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.05502	1.3
57.03417	0.6
57.07063	0.8
58.04523	0.4
59.01414	0.4
59.70586	0.4
62.83354	0.4
65.03939	0.4
66.18322	0.4
67.05482	1.6
69.03432	0.7
69.07053	1.1
71.57930	0.4
71.58331	0.5
79.05485	2.1
81.03411	0.9
81.07066	2.4
83.04965	1.3
85.06533	0.9
91.05450	2.4
93.07018	1.6
93.99359	0.5
95.04937	0.7
95.08611	2.4
105.07016	1.6
107.04921	0.7
107.08595	2.2
109.02852	0.8
109.06484	0.8
109.10135	1.5
111.04473	0.6
115.05466	1.6
117.05693	0.6
117.06994	1.6
118.06543	29.4
119.06938	0.6
119.08571	1.3
121.06499	1.0
121.10144	1.7
123.08040	0.7
123.11685	1.3
125.05952	1.5
125.09669	0.6
127.07614	0.7
129.06923	0.6
131.08578	1.0
132.08069	2.6
133.08871	1.1
133.10092	1.6
134.09647	0.5
135.08052	1.0
135.11658	1.0
137.05943	0.7
137.13239	0.7
142.06468	2.1
143.07303	1.9
144.08076	10.9
145.10135	1.1
146.06010	43.4
146.09642	1.6
149.09589	0.7
151.03937	0.5
153.01811	0.6
159.11713	0.8
160.07605	0.8
161.13251	0.7
167.07047	7.5
170.06024	3.5
175.11119	0.6
176.14346	100.0
177.14684	2.0
181.04948	0.6
188.07060	30.9
216.13858	0.7
223.21944	0.5
234.14830	1.4
285.10281	0.4
318.10983	1.3
345.20547	0.7
363.20703	21.1
364.21051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67166	0.6
61.46017	0.6
67.05479	0.6
69.03419	2.2
70.03781	1.2
70.04182	1.3
71.05002	1.0
76.82899	0.5
78.04716	3.7
79.05476	1.7
81.03412	1.0
83.01849	0.6
85.02912	0.9
88.84022	0.6
89.22510	0.6
91.05465	1.3
93.07047	0.9
95.04977	1.4
95.08606	0.8
97.02901	1.1
98.21168	1.6
104.88001	0.5
105.07037	1.4
106.04166	2.0
107.04981	1.5
109.02881	1.3
109.06562	0.8
121.06506	1.8
123.04427	10.3
124.05231	2.9
125.02332	1.1
125.05956	0.6
127.03910	1.5
131.04924	1.4
137.05974	1.4
151.03909	2.5
152.04630	1.9
153.05487	1.1
165.06937	0.7
167.07051	100.0
168.07385	2.0
177.05531	1.8
181.06483	0.9
181.08595	2.4
191.07030	2.3
197.05978	1.1
201.06638	0.7
202.10722	1.6
207.13895	1.0
211.07759	0.6
215.03163	0.6
227.03497	0.7
241.08783	0.7
243.06764	0.7
273.11365	0.7
298.25320	0.6
301.03427	0.9
301.10672	1.6
303.01407	1.5
313.10773	3.7
318.11026	6.2
333.13342	1.5
345.02472	2.5
345.13385	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	363.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.7
55.01876	1.0
55.05513	35.0
56.05843	0.8
57.03439	5.4
57.07071	1.2
57.08731	0.7
59.05006	3.9
61.02917	1.0
67.05512	1.2
67.54883	0.8
69.03433	28.9
69.52479	6.1
71.05000	19.3
73.02915	1.2
73.06557	13.5
75.04453	1.2
78.04693	0.8
81.03043	0.8
81.03419	8.6
83.04985	100.0
85.02904	9.9
85.06553	4.4
87.04440	1.4
91.05506	0.8
93.07058	0.8
95.04960	1.3
97.02903	9.3
97.06481	0.8
98.20680	0.7
98.21229	2.8
99.04459	11.1
101.06023	45.7
109.02896	3.9
111.04397	1.3
115.03913	1.3
119.07019	1.6
121.06519	0.9
123.04415	2.3
127.03934	12.4
129.05489	20.1
132.50449	0.7
141.05519	1.1
143.03374	1.4
143.07054	2.2
145.04924	3.2
147.06514	10.3
167.07062	19.6
173.04454	11.1
199.09669	1.9
227.09090	3.3
245.10196	5.6
273.03741	0.8
273.09601	1.1
299.01895	1.4
301.03375	1.1
303.01340	0.9
313.11002	1.1
318.10938	1.2
327.00961	0.9
345.02625	3.9
345.15506	5.9
363.16379	6.4
372.09305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53415	0.5
53.03939	0.9
55.01874	0.7
55.05504	1.1
56.96570	3.4
57.03428	0.7
59.04981	0.7
61.02927	0.7
69.03419	3.9
70.45845	1.0
71.04989	2.3
73.02880	0.5
81.03404	2.9
83.04992	3.1
84.19974	0.5
84.96076	0.5
85.02908	6.4
89.82534	0.5
91.97785	0.5
95.01277	0.6
95.02453	14.3
95.05035	0.5
97.02896	14.4
98.21069	1.3
98.97583	16.8
99.04452	1.3
101.00906	1.4
103.02471	0.5
107.04930	0.6
109.02887	3.8
111.87685	0.5
111.90081	0.6
113.03495	100.0
114.03822	0.9
115.03942	0.5
116.98627	9.7
119.01944	2.7
127.03931	8.6
127.04887	0.7
128.98602	1.0
131.01962	0.8
133.01669	0.6
134.99664	4.0
137.06006	0.5
141.22163	0.5
143.01892	2.8
145.03529	1.1
145.04968	1.0
146.99681	1.0
153.00671	1.1
153.01836	7.3
153.02983	0.9
154.02156	0.8
155.04504	1.9
158.99651	7.8
161.02969	5.8
161.05943	0.7
167.07089	2.2
171.05061	0.9
173.01396	0.8
173.03024	1.7
173.06657	0.7
177.00734	10.2
179.02525	0.5
183.05025	1.6
185.06612	1.0
187.06252	0.6
191.04276	0.6
200.05518	0.8
201.04289	1.5
201.06129	5.9
203.04132	1.1
209.08276	0.7
215.07620	0.8
219.01813	6.1
219.07156	0.6
221.05365	3.2
223.01166	0.6
223.04922	0.6
225.00688	0.6
225.04379	0.6
227.07413	0.5
237.02814	1.6
239.06636	30.9
240.06651	0.8
243.07173	1.7
246.05667	0.9
247.04681	1.1
257.07724	1.9
259.06842	0.6
261.08377	0.6
263.06064	0.7
273.08212	2.6
275.09958	1.0
293.11002	0.6
303.04495	0.6
303.07608	2.3
309.08545	0.6
317.12411	0.6
321.08197	2.4
345.02634	1.2
363.13080	4.1
363.61142	0.6
384.69736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	1.9
55.05515	12.2
56.06492	0.9
57.03428	2.9
59.04997	1.3
63.60724	0.9
63.85989	0.9
65.03907	1.1
67.05488	3.3
68.88177	0.8
69.03427	11.3
69.07060	1.3
69.20328	0.8
69.85984	3.8
70.06589	1.8
71.04994	7.4
71.13439	0.8
71.43797	0.8
72.04476	1.0
72.08159	9.1
73.02938	1.1
73.06556	3.3
73.08495	2.8
78.04715	3.4
79.05496	2.6
81.03423	3.9
81.07052	1.0
82.19420	0.9
83.04478	1.5
83.04980	30.5
84.08166	1.1
85.02924	5.3
85.06497	1.7
91.05466	1.2
93.07050	1.5
95.04958	3.5
97.02880	2.4
98.21298	2.6
99.04463	4.0
101.06015	16.4
102.09196	2.2
106.04186	1.9
107.04975	1.4
109.02866	3.0
113.06020	2.6
115.03927	1.2
117.05492	1.0
118.08781	1.0
119.04932	1.2
121.06426	1.3
122.03600	0.9
123.04422	10.0
124.03957	1.1
124.05196	2.3
127.03905	6.2
129.05505	7.5
131.04956	2.1
137.05954	1.6
138.05513	1.0
141.10245	1.0
145.04900	1.9
147.06544	4.5
151.03899	2.4
152.04631	1.4
153.01788	1.0
166.05032	2.0
167.07047	100.0
168.07356	1.6
173.04489	2.8
181.06575	1.6
181.08614	1.0
187.10841	1.2
188.11172	2.5
191.07076	3.2
197.05919	0.9
199.09619	1.2
200.15019	0.9
202.10777	1.8
206.87904	0.9
207.10143	1.0
220.11967	1.1
227.09218	1.1
228.14354	2.1
234.09706	1.7
250.59529	1.0
258.15384	1.5
299.01993	1.4
301.03436	1.1
301.10635	2.2
313.10715	3.6
314.11444	1.0
318.11038	6.8
333.13260	2.0
345.02396	4.1
345.13367	1.9
363.04828	1.4
363.10568	2.8
363.16162	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	363.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05513	11.1
57.03440	7.3
59.04985	3.6
61.02908	2.0
69.03437	9.2
70.71782	2.5
71.04978	2.2
72.08160	2.3
73.06551	3.4
78.04695	3.2
79.05482	2.8
81.03432	5.1
82.51822	1.0
83.04986	31.5
85.02900	4.7
90.05518	1.1
91.05415	1.1
95.04949	1.5
97.02927	4.8
98.20970	1.4
99.04443	3.8
101.06024	12.7
103.05453	1.3
106.04185	2.0
107.04959	1.4
109.02860	3.1
110.52064	1.3
115.03940	0.9
119.07037	1.6
121.06493	1.5
123.04413	9.4
124.05232	1.6
127.03916	4.5
129.05493	6.5
131.04887	1.3
133.68910	1.3
137.05945	2.8
138.05431	1.8
147.06520	7.2
151.03879	2.1
152.04669	1.8
165.05559	1.4
165.09167	1.1
166.04990	1.9
167.07050	100.0
169.06549	1.0
173.04419	1.8
181.06537	1.5
181.08652	1.4
184.68912	1.1
187.10745	1.3
191.07008	2.4
202.10699	1.8
207.13841	1.1
213.09174	1.3
224.42987	1.2
227.08916	1.2
237.42232	1.0
245.10196	1.6
301.03674	1.4
313.10651	3.2
318.10858	8.1
333.13196	2.1
345.02502	3.0
363.15942	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	362.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72170	0.9
53.03925	1.3
55.05296	1.1
55.05513	12.7
57.03430	2.4
64.30170	0.9
65.03944	1.5
67.05507	10.7
68.15476	1.0
69.03439	6.4
69.04536	1.6
70.06239	1.7
70.06592	20.6
71.04979	3.5
71.56583	0.8
72.08157	100.0
72.28156	1.1
73.04026	3.5
73.06551	3.8
74.02431	2.2
75.05593	2.5
79.05499	1.5
80.94693	1.1
81.03384	2.4
82.06580	2.3
83.04539	1.6
83.04992	16.1
83.05463	1.9
84.08149	14.2
85.02903	7.6
85.04028	4.4
85.06519	1.8
86.09692	4.5
86.99026	1.1
88.07629	4.0
91.05470	2.1
94.06538	1.0
95.04968	12.1
97.02868	2.9
97.35070	1.0
98.06039	2.2
98.21036	1.2
98.89914	1.0
99.04499	1.5
99.09218	2.4
101.06023	5.8
102.08555	1.6
102.09187	24.0
107.04946	1.8
109.02885	2.2
109.07606	1.4
110.06023	2.0
112.07593	6.7
113.03519	1.7
113.05959	1.1
113.10769	2.6
114.09189	1.0
118.08642	6.7
118.44222	1.1
119.04947	1.8
123.04394	1.5
124.07581	1.4
127.03915	2.8
127.08703	5.9
128.07059	1.1
129.05478	3.9
130.08669	2.5
133.02776	1.7
135.06827	1.6
137.05984	9.5
138.12781	1.9
141.10194	9.5
145.04938	2.5
147.04419	1.3
147.06525	1.7
149.06033	1.9
150.09354	1.1
154.12296	7.8
155.08130	2.3
156.13846	3.0
159.11305	3.3
164.10690	2.3
166.12245	4.7
167.07018	5.6
169.09731	2.3
172.13306	2.2
173.04465	1.5
173.09233	1.9
181.13371	5.7
182.04510	1.3
182.11757	1.6
183.06606	1.8
183.14920	1.6
187.09241	2.0
187.10799	28.9
199.14424	13.8
201.15952	1.5
209.12859	2.7
212.12796	12.0
217.15617	1.5
227.13927	23.2
229.15552	3.7
235.07674	1.6
245.14868	4.3
247.16556	8.3
253.08600	2.6
257.15009	10.9
270.11307	1.7
273.14423	2.4
279.69330	1.2
286.17636	20.9
299.09125	2.9
301.10638	1.5
316.11829	2.7
326.20657	11.0
344.08243	1.7
344.21695	1.9
345.02240	1.3
349.65521	1.1
362.12125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56240	0.7
56.08909	0.7
57.03439	1.0
61.93602	0.7
68.74433	0.7
69.03419	3.0
69.96069	1.3
69.96473	3.2
73.06551	0.8
78.04691	2.1
79.05472	1.1
81.03423	1.2
83.04984	1.5
85.02907	1.4
95.04976	1.0
97.02869	1.1
98.20761	0.9
98.21310	1.7
99.04447	1.5
103.05468	1.2
105.07012	1.5
109.02876	1.9
115.05441	3.4
117.05454	1.1
121.02822	1.5
123.04436	4.2
127.03906	1.4
129.07040	1.0
131.04936	2.9
143.04926	2.5
147.04474	0.8
153.03377	1.0
155.04892	1.8
159.04422	2.6
161.43007	0.8
165.05472	0.9
167.07051	28.5
171.04395	8.2
177.05481	2.4
184.65974	0.8
187.03915	7.8
189.05443	1.8
197.02287	1.1
199.03894	11.7
203.03339	0.8
205.04906	1.5
208.08440	1.0
209.02367	2.4
209.09911	1.0
211.03896	1.8
215.03355	9.6
217.04901	1.9
225.01828	1.3
227.03400	12.9
229.04895	0.9
233.04471	1.4
236.07927	3.6
237.01881	1.5
239.03485	1.3
243.02914	14.7
245.04420	3.1
254.08943	3.4
255.00195	1.1
255.02896	14.7
261.03989	2.6
271.02365	14.9
273.03967	9.6
282.08487	1.2
283.02310	7.7
289.03510	6.9
298.98431	1.6
299.01852	31.2
300.09485	1.5
300.99948	1.5
301.03424	30.6
313.10605	1.2
317.02850	5.1
317.12048	1.1
318.10843	2.3
327.01343	9.6
333.13370	1.0
345.02402	100.0
346.02713	3.2
363.11981	1.3
363.15729	1.7
367.19299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.2
55.05518	19.2
56.34529	3.4
57.03422	3.6
57.07077	29.0
58.07185	4.3
65.03929	7.8
67.05508	42.1
69.03431	7.6
69.07062	37.1
71.04996	8.4
79.05493	22.9
81.03425	7.6
81.07057	100.0
83.04991	25.7
83.08604	17.8
85.06535	31.7
91.05484	32.2
93.07040	48.1
95.04980	21.9
95.08056	5.7
95.08607	76.2
95.52072	4.5
97.06504	4.4
97.10162	13.6
99.08080	5.1
105.07024	22.5
107.04926	13.7
107.08587	40.2
109.02881	7.5
109.06521	4.4
109.10158	54.7
111.08031	4.7
111.11661	7.9
113.06022	9.6
117.07023	5.7
119.08590	28.1
121.06509	9.3
121.10141	29.0
123.04468	4.0
123.11703	44.5
125.09608	5.6
129.06989	11.6
131.04984	4.4
131.08534	13.3
133.10126	16.2
135.08041	5.6
135.11690	24.2
137.05945	13.1
137.13231	19.6
145.10106	10.2
147.11678	15.2
149.13254	26.4
151.03935	5.2
151.07532	16.4
151.14799	5.4
153.05443	6.6
159.11676	11.2
161.06007	20.6
161.09592	6.3
161.13289	7.2
163.07549	7.3
163.14847	6.9
166.06146	4.6
167.07048	51.8
175.14799	5.5
179.06975	10.2
181.04964	5.8
181.08575	30.6
183.07909	4.9
189.09097	25.4
189.16483	6.5
195.06458	5.0
195.08092	6.9
203.17899	5.3
205.19507	9.4
207.10097	4.4
223.20631	10.0
225.09052	5.4
251.06964	4.1
251.20140	4.5
257.11661	5.1
271.24146	4.6
285.11179	9.7
289.25110	4.0
307.26199	7.6
361.05502	13.9
361.12527	6.5
361.20349	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	361.2372
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
50.92918	0.5
53.03933	0.9
55.01862	1.8
55.05505	5.6
57.07060	1.5
62.00718	0.5
65.03923	1.5
67.05505	17.7
69.07072	4.5
69.78931	3.2
71.08636	0.7
71.46747	0.5
79.05498	5.0
79.39946	0.5
81.07063	18.1
83.01345	3.9
83.04960	1.5
83.08630	2.6
85.06544	1.1
85.24453	0.5
87.76402	0.6
91.05474	5.6
93.07047	6.5
95.04971	1.6
95.08607	16.1
97.06499	1.5
97.10165	1.3
98.21183	1.8
99.08159	0.7
99.37622	0.6
105.07052	3.5
107.08601	3.2
109.06532	3.6
109.10154	9.0
111.08097	0.8
119.08569	2.9
121.06465	0.7
121.10135	1.7
122.39441	0.6
123.04418	1.3
123.08080	1.0
123.11685	4.3
129.01790	0.6
133.06477	1.1
133.10110	3.3
137.05986	5.2
137.09586	1.0
138.03139	4.6
141.05470	0.6
147.11671	1.1
151.03859	0.6
151.07512	1.8
153.05487	1.0
155.07043	7.9
161.05968	1.1
163.14796	3.6
165.05484	0.7
165.09145	1.6
165.16354	1.4
166.02644	4.9
167.07051	28.2
175.07649	0.8
177.05338	0.5
179.03499	0.7
179.07024	0.7
181.04962	100.0
182.05347	0.9
183.06511	2.0
184.03670	5.1
189.16391	5.8
191.07036	3.1
193.08629	7.6
194.85228	0.5
205.08539	1.0
207.17419	2.6
209.08098	8.1
217.08620	1.1
219.10213	0.8
221.11726	4.4
223.09607	1.0
231.10196	1.2
233.11671	0.6
235.13272	1.0
245.11839	0.6
263.16467	1.1
277.17990	1.8
343.22696	2.0
361.23730	11.4
361.30661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2373
Annotation	Chimonanthidine
Peak:m/z	Relative Intensity
50.81911	0.2
55.05506	0.4
57.07066	0.4
60.98516	0.2
61.93776	0.2
63.62051	0.2
65.99847	0.2
67.05496	0.3
69.07053	0.4
71.57814	0.2
81.07043	0.4
82.82680	0.2
83.87457	0.2
93.07011	0.3
95.08601	0.7
98.21127	0.3
107.08588	0.3
117.99709	0.2
126.18529	0.2
129.01846	0.6
151.07521	0.4
167.03394	0.6
167.07063	0.4
181.04945	4.5
185.08092	0.4
192.07771	1.1
207.06558	0.6
219.06584	0.6
220.07307	18.8
221.08081	2.7
233.08084	9.0
234.08730	0.5
247.09711	0.6
275.12875	0.2
341.00146	0.2
359.21838	0.2
361.23727	100.0
362.24054	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	361.2736
Annotation	Griffinipregnone
Peak:m/z	Relative Intensity
53.03934	2.3
55.01855	4.0
55.05515	56.0
57.06860	1.2
57.07076	11.9
65.03928	2.5
67.05171	2.3
67.05505	33.0
68.99777	2.6
69.03434	14.8
69.07070	59.3
70.25108	1.2
71.08614	3.7
71.49129	2.1
73.15860	1.2
79.05489	14.8
81.03430	2.3
81.07059	38.6
83.01340	22.2
83.04986	8.6
83.08618	27.8
85.02898	2.6
85.06541	2.8
91.05499	8.6
93.07047	17.6
94.77586	1.1
95.04964	4.3
95.08601	33.6
97.02884	1.6
97.06532	17.0
97.10178	13.1
98.21165	1.4
99.04466	2.0
101.02421	1.4
105.07025	10.9
107.04968	2.3
107.08597	12.8
109.06521	6.5
109.10157	14.5
111.04446	12.4
111.08076	5.5
111.11718	2.7
117.07033	1.4
119.08604	6.6
121.06475	2.3
121.10152	11.0
123.04451	1.3
123.08086	6.3
123.11684	4.2
125.02346	24.9
125.05986	7.9
125.09624	5.5
127.03881	2.9
131.08553	2.9
133.10156	11.2
135.08052	4.3
135.11693	6.0
137.05934	3.1
137.09601	4.2
137.13275	2.2
139.03955	3.2
139.07544	4.6
139.11237	1.6
140.04674	8.2
141.05476	24.7
145.10103	2.7
147.08034	3.7
147.11719	6.4
149.09604	4.7
149.13268	3.6
151.07539	1.7
151.11234	2.1
153.05463	32.3
153.09084	4.3
155.07094	1.7
157.08644	2.0
157.10048	1.8
159.11662	1.6
161.09590	2.8
161.13243	3.4
163.07588	1.8
163.11163	1.8
163.14833	3.2
165.09096	3.6
167.07013	4.4
167.10619	2.3
171.10213	2.3
171.11658	3.2
175.11192	2.2
175.14857	2.0
177.09146	2.7
177.16435	1.5
179.10704	2.8
181.05028	2.1
181.08621	4.3
185.11725	3.2
185.13268	1.8
189.12793	2.3
189.16490	2.1
191.10684	2.1
191.14299	1.6
193.08606	2.3
195.10161	10.4
199.14809	1.6
203.14340	2.6
203.17899	1.6
207.10172	1.5
209.11745	14.9
209.15233	1.8
221.11732	2.1
221.18936	1.4
223.13304	17.0
231.17357	2.0
235.13315	3.6
237.14842	22.2
245.22679	2.4
249.14832	5.9
251.16429	24.9
263.16443	8.9
265.17993	19.0
269.22610	1.6
277.17969	10.6
279.19534	17.8
291.19553	12.1
293.21188	7.5
297.90872	1.2
305.21094	9.6
315.26712	2.3
319.22714	4.4
324.52432	1.6
343.26218	2.8
361.27341	100.0
361.30762	5.2
362.27728	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	361.2372
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
53.03938	0.9
55.01861	1.7
55.05510	9.3
57.07066	2.0
67.01868	1.5
67.05508	13.8
67.62943	0.8
68.99796	2.5
69.03433	1.7
69.07069	10.5
71.06853	0.7
71.07192	1.4
79.05486	4.1
81.07060	13.6
83.04978	1.2
83.08627	4.9
91.05475	2.7
93.07061	4.9
95.08608	11.3
97.10168	2.1
98.21223	0.8
105.07024	1.5
107.08576	2.8
109.06538	1.0
109.10154	6.3
111.00809	2.3
119.04878	0.9
119.08569	1.9
121.10136	3.1
123.04422	2.2
123.11703	1.7
127.03897	4.2
133.10115	1.9
135.11668	1.7
137.05968	3.3
137.13205	1.3
139.03902	28.1
147.11774	0.8
147.13675	0.7
151.03871	1.1
151.14827	1.6
153.01831	100.0
153.05324	4.6
154.02119	1.5
155.03439	3.2
163.03929	3.3
165.05498	7.3
171.02856	1.2
177.05482	1.4
177.16534	0.7
181.04944	11.5
182.05278	1.1
183.05437	0.8
191.07021	1.5
191.17902	4.4
193.08597	5.8
195.06622	1.8
205.08673	1.1
207.10283	0.9
209.08199	1.5
217.19656	4.0
235.20700	1.6
245.11815	0.7
286.38635	0.8
343.22668	3.2
361.23746	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01862	2.1
55.05515	6.0
57.07057	1.5
62.93890	0.5
65.03934	1.3
67.05505	22.8
67.53258	0.5
68.05835	0.8
68.99771	0.8
69.03414	1.1
69.07072	7.0
70.75208	1.6
71.04996	0.7
71.08620	0.8
77.97723	0.5
79.05498	6.6
81.03398	1.2
81.07058	22.6
82.82987	0.5
83.01344	3.5
83.04967	1.5
83.08619	4.2
85.06559	1.3
91.05492	5.2
93.07053	6.2
95.04951	2.0
95.08607	16.7
97.06499	1.7
97.10165	1.2
98.21148	0.7
99.08092	0.6
105.07045	2.9
107.04925	0.9
107.08617	4.5
109.06530	3.7
109.10162	8.2
111.08086	0.8
117.07030	0.7
119.08577	4.6
121.06470	1.1
121.10172	2.7
123.04415	1.1
123.08058	0.8
123.11694	4.5
125.06010	0.8
125.09608	0.7
127.03915	1.6
128.04230	0.9
129.01836	2.5
133.10159	3.5
135.08052	0.8
135.11673	1.3
137.05980	4.5
137.09615	0.7
138.03140	2.5
140.04526	0.5
143.08569	1.0
145.10127	1.0
147.11682	2.0
151.03883	0.7
151.07535	3.2
151.11143	0.5
153.05455	2.4
155.07036	11.2
159.11682	0.7
161.05963	1.5
163.14819	2.2
165.09103	1.1
165.16422	1.1
166.02596	4.6
167.03412	1.4
167.07043	33.8
168.07440	0.9
175.07530	0.6
177.05475	0.7
179.07019	1.2
181.04959	100.0
181.15837	1.6
182.05310	2.7
183.06639	1.2
184.03671	5.7
185.08124	1.2
189.16357	6.0
191.07080	2.9
193.08630	6.1
205.08649	2.1
207.17448	3.1
209.08119	4.5
219.10106	0.9
221.08075	1.3
221.11749	8.8
223.09656	1.4
231.10162	1.6
235.09613	0.7
263.16452	0.9
277.17941	4.2
333.50394	0.5
343.22653	5.8
353.84662	0.6
361.23734	21.4
361.37894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2372
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
52.36116	0.7
53.03933	1.3
55.01871	2.5
55.05512	9.3
57.03452	1.0
57.07070	3.4
65.03931	1.9
67.05504	27.8
68.99790	7.0
69.07066	11.5
69.82959	3.2
69.83379	1.6
71.08620	0.9
75.55262	0.8
77.52390	0.8
77.80962	0.8
79.05492	11.5
81.03417	2.4
81.07059	28.6
83.01335	2.1
83.04983	2.4
83.08612	7.3
85.58434	0.9
91.05471	8.7
93.07042	12.6
95.04973	2.3
95.08606	25.8
97.02871	1.2
97.06519	3.0
97.10173	2.3
98.20897	1.3
99.08088	2.3
102.52295	0.9
105.07021	6.3
107.04951	1.7
107.08590	9.6
109.02886	1.3
109.06535	1.8
109.10161	13.8
111.00816	9.4
111.08076	2.2
119.08566	6.3
121.10142	6.5
123.08086	1.0
123.11712	6.7
125.06019	1.3
125.09563	1.0
127.03918	100.0
127.67646	0.8
129.01849	1.4
133.10136	6.6
135.08002	0.9
135.11705	3.5
136.99794	0.9
137.06004	3.0
137.09590	1.2
137.13292	2.7
139.03899	1.2
139.07553	2.7
145.10153	0.9
147.08026	2.0
147.11699	4.6
149.05927	1.0
149.09557	1.5
149.13278	1.5
151.07579	4.1
151.14790	1.7
153.05458	2.4
155.07034	9.2
161.13293	3.2
163.07607	0.8
163.14824	2.2
165.05518	0.8
165.09094	1.7
167.03345	1.2
167.07054	16.9
169.04958	1.3
175.07561	2.4
175.14839	1.4
177.02251	0.9
181.04959	84.8
181.08531	3.3
182.05312	2.5
183.06569	2.4
189.16405	3.6
191.07022	2.5
193.08661	4.7
205.08661	1.1
207.10144	1.1
207.17439	1.9
209.08072	2.8
217.19545	10.7
219.10275	1.1
221.08083	0.9
221.11754	1.9
223.09674	1.7
223.17007	0.9
231.10370	1.1
233.11847	0.9
235.20634	3.8
237.11157	1.7
245.07553	0.8
249.14726	1.0
251.12839	1.1
256.26541	1.1
263.16629	0.9
265.14206	1.3
277.18066	1.2
279.15802	0.9
325.21646	1.0
343.22604	3.3
361.23660	18.3
361.31018	2.1
366.19678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2372
Annotation	yanuthone F
Peak:m/z	Relative Intensity
53.03937	5.4
55.01876	28.3
55.05513	37.5
57.03186	3.0
57.03442	39.4
57.07075	6.6
65.03948	2.8
67.01852	4.3
67.05167	4.3
67.05508	71.6
68.99785	24.2
69.03420	3.7
69.07066	47.3
70.70242	7.3
71.01367	3.1
71.05012	13.2
79.05492	43.4
80.63455	2.2
81.03416	6.4
81.06574	5.1
81.07059	100.0
82.07372	2.2
83.04983	12.6
83.08620	26.2
85.06551	14.8
91.05481	32.8
93.07043	60.9
95.04977	12.2
95.08611	88.5
97.02891	4.0
97.06535	61.9
97.10161	12.6
97.93871	2.4
99.08099	3.4
105.07040	37.8
107.04968	8.1
107.08599	44.8
109.06504	19.4
109.10155	37.0
111.00800	39.8
111.04428	17.1
111.08107	11.7
111.11683	2.5
113.09638	2.6
117.07008	9.1
119.08587	34.4
121.06522	4.0
121.10135	36.3
123.04416	5.5
123.08073	34.6
123.11700	11.0
125.05981	6.3
125.09660	5.1
126.03138	3.5
127.03934	17.7
129.07022	5.0
130.47711	2.3
131.08580	14.9
133.06514	6.5
133.10121	19.2
135.08070	11.3
135.11687	26.2
137.05969	6.9
137.09642	9.2
139.03897	60.8
139.07559	8.1
139.11174	6.3
141.05467	48.0
143.08536	5.2
145.10124	10.7
147.08055	10.1
147.11667	17.0
149.06027	2.8
149.09583	4.6
149.13246	12.0
151.07535	18.5
151.11191	3.2
153.01845	9.2
153.05469	13.1
153.09039	4.1
157.10132	6.7
159.11722	10.7
161.09624	8.1
161.13257	12.7
163.07579	5.3
163.11241	3.0
163.14857	7.0
165.05487	6.4
165.09134	5.9
165.12772	2.7
167.03397	65.1
167.07094	6.9
169.10098	2.4
171.11684	6.3
173.13229	3.8
175.07579	2.5
175.11250	5.4
175.14790	12.3
177.05486	3.4
177.09042	3.1
179.07057	6.2
179.10683	6.3
181.08607	8.9
183.11789	3.8
185.13275	10.8
187.11160	5.6
187.14861	5.4
189.12830	4.5
189.16447	4.7
193.08855	3.1
193.12241	3.5
193.15865	3.3
195.06596	2.8
195.10190	15.1
199.14867	5.1
201.12738	3.6
203.07068	2.6
203.14371	15.3
203.17874	4.9
207.10103	3.6
209.11739	21.2
217.12212	2.2
217.19424	3.0
221.11760	2.5
221.15376	24.0
223.13255	17.0
229.12109	3.7
229.15892	3.1
235.13295	5.2
237.14920	10.0
241.19576	2.9
247.13359	3.2
249.14886	14.4
251.12787	4.1
259.20654	3.9
263.16458	6.7
263.19998	2.8
265.14423	5.9
267.16284	2.7
277.17978	11.5
277.21616	5.6
287.16455	4.8
287.20004	3.3
289.18042	10.5
291.19571	13.0
291.22705	2.6
301.21561	3.6
305.21109	73.1
305.24609	4.7
319.22855	5.4
325.21765	3.1
343.22653	39.6
343.26382	3.7
344.22849	3.4
361.19922	4.5
361.23749	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2374
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
53.03945	1.2
55.01862	1.1
55.05510	3.9
57.07068	1.0
67.05168	0.9
67.05508	15.0
69.03374	0.6
69.07063	5.2
69.50481	4.2
79.05487	5.7
81.07059	14.9
83.01331	1.9
83.04971	1.4
83.08625	2.7
85.06528	0.9
91.05475	3.2
93.07053	5.2
95.04944	1.2
95.08607	16.1
97.02888	1.4
97.06519	1.4
97.10178	0.9
98.20847	1.1
99.08089	0.8
105.07041	2.4
107.04962	0.6
107.08593	3.1
109.10155	8.8
109.10896	0.7
111.08029	0.5
119.08599	3.4
120.89368	0.6
121.10145	2.1
123.08076	0.8
123.11723	3.4
125.05958	1.7
133.10135	3.4
135.04420	0.7
135.11734	0.8
137.06006	0.7
137.09576	0.7
139.07501	1.8
147.08060	0.6
147.11700	1.5
151.07570	2.9
153.05420	1.0
155.07028	5.6
163.07521	0.6
163.14812	3.9
165.09158	1.1
165.16463	1.1
166.97803	0.5
167.07039	19.1
175.07562	1.2
179.03397	1.1
179.07066	1.2
181.04962	100.0
181.08267	2.8
182.05334	1.5
183.06494	0.7
189.16364	7.3
189.63324	0.6
191.06966	3.0
193.08588	4.5
197.08125	0.8
205.08472	1.1
207.17462	2.6
209.08084	6.0
219.10211	0.6
221.11758	3.7
221.16132	0.5
223.09586	1.6
231.10165	1.8
235.09689	0.6
237.11107	0.5
238.66963	0.5
249.14661	0.6
261.14636	0.6
277.17926	2.1
305.25217	0.5
343.22705	4.4
361.23758	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	361.2372
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
53.03924	0.5
55.01865	2.8
55.05514	9.9
57.03426	0.6
57.07080	2.2
57.15522	0.4
65.03934	0.7
67.01865	2.3
67.05505	15.4
68.99784	2.2
69.03414	1.7
69.06714	0.8
69.07069	11.4
69.75395	2.7
71.08620	0.6
77.13490	0.4
79.05494	6.1
81.03394	0.6
81.06570	0.8
81.07058	17.5
83.01321	0.5
83.04978	1.2
83.08626	5.8
91.05482	4.7
93.07035	6.0
95.04967	1.6
95.08612	15.3
97.02887	0.8
97.06542	2.2
97.10185	3.0
98.20975	1.1
98.21518	0.5
105.07034	3.3
107.08598	5.3
109.06498	1.6
109.10154	7.4
111.00813	1.9
111.04433	1.8
111.08098	0.6
112.80640	0.4
119.04950	1.0
119.08571	2.6
121.10172	3.1
123.04449	3.4
123.08067	1.2
123.11694	2.7
125.05981	0.7
127.03931	6.3
133.10127	2.0
135.08087	0.6
135.11708	2.4
137.05978	3.6
137.09608	0.6
137.13245	1.3
139.03903	34.1
140.04367	0.7
141.05466	1.7
142.71696	0.4
147.04370	0.8
147.11673	1.3
149.13226	0.9
151.03902	1.9
151.07518	0.7
151.14867	1.2
153.01830	100.0
153.05368	4.3
154.02173	0.8
155.03412	3.2
161.13298	1.4
163.03902	3.7
165.01820	0.8
165.05479	8.5
167.03391	3.8
167.07085	1.0
169.04976	0.8
171.02856	1.3
174.32617	0.4
175.14806	0.8
177.05489	2.0
179.03459	1.1
179.07114	0.5
181.04967	10.9
182.00238	0.4
191.06979	1.5
191.17957	9.0
193.08618	6.1
193.19550	0.9
195.06519	2.5
203.07034	1.6
205.08524	1.0
205.19524	0.7
207.10127	1.3
209.08087	0.9
209.19023	1.2
217.08676	1.0
217.19505	4.6
219.10016	0.8
221.15364	1.0
235.20461	2.3
249.14949	1.0
259.20648	0.5
259.84982	0.5
261.15033	0.8
263.16476	0.6
277.17923	1.6
279.15906	0.6
301.06027	0.5
336.13947	0.5
343.22662	6.0
361.19400	0.8
361.23758	13.7
361.28110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2373
Annotation	yanuthone X2
Peak:m/z	Relative Intensity
53.03942	0.5
55.01853	2.4
55.05511	6.0
57.03418	0.7
57.07049	1.7
65.03925	1.1
67.01857	0.9
67.05502	18.8
68.99767	1.2
69.03406	1.5
69.07066	7.6
69.29658	0.6
69.78466	2.1
71.08642	0.8
79.05497	6.1
81.03407	0.8
81.07059	18.6
83.01338	2.1
83.04989	1.1
83.08629	3.4
84.18076	0.5
85.10152	0.7
91.05474	4.2
93.07037	5.3
95.04955	2.0
95.08611	16.8
97.02898	2.6
97.06543	3.3
97.10156	2.3
98.21248	1.5
105.07009	3.1
107.04946	2.2
107.08609	3.6
109.02839	0.5
109.06473	1.5
109.10148	6.7
111.00743	0.8
111.04436	1.3
111.08124	0.5
111.11686	0.5
113.00880	0.5
117.06957	0.8
118.15538	0.5
119.08611	2.5
119.42826	0.5
121.06493	0.8
121.10138	2.5
123.04437	2.2
123.08096	1.3
123.11741	2.6
125.05983	1.5
127.03913	7.1
133.10124	2.8
135.04364	0.7
135.11702	1.6
137.05956	3.2
137.09608	0.8
137.13243	0.8
139.03908	22.6
139.07504	1.2
141.05519	0.6
147.11653	1.2
149.05980	0.9
149.13229	0.6
151.03886	1.0
151.07581	2.7
153.01831	49.7
153.05424	2.7
155.03342	1.1
155.07057	4.8
161.05989	0.6
161.09677	0.6
161.13226	0.8
162.75990	0.5
163.03897	2.9
163.14838	1.6
165.05482	6.0
165.09148	0.5
165.16455	0.9
167.03423	2.2
167.07051	18.4
175.07547	0.8
177.05513	2.8
177.09062	0.6
179.07040	2.3
181.04961	100.0
182.05321	1.0
189.09164	0.7
189.16348	1.6
191.07039	6.0
191.17970	2.6
193.08609	6.8
194.08902	0.6
195.06531	1.4
199.05984	1.2
200.27792	0.6
203.07086	1.7
205.08667	0.9
207.06592	2.8
207.17445	1.4
209.08145	1.9
209.18988	1.8
217.08647	1.1
217.19557	2.6
221.08151	1.2
221.11610	0.6
226.10225	0.5
231.10320	1.0
235.20465	1.3
277.17941	2.4
291.04904	0.6
317.21155	0.6
343.22690	6.1
361.23761	32.4
362.23953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
53.03938	2.1
55.01853	2.0
55.05504	3.2
57.03437	22.7
57.65231	1.1
65.03934	1.7
67.05499	11.5
68.99776	3.3
69.07059	3.0
69.58680	8.2
79.05496	16.0
81.03419	1.4
81.07054	11.7
83.04980	3.6
85.06542	3.1
91.05479	18.5
91.65543	1.3
93.07047	8.5
95.04959	4.3
95.08604	5.9
97.06506	3.0
98.20781	2.8
98.21448	2.1
99.08070	1.6
105.07030	15.3
107.04947	4.7
107.08597	13.3
109.06518	6.2
109.10130	1.7
111.04433	1.8
111.08128	1.5
112.00861	1.2
113.05968	1.8
117.06996	1.8
119.08587	18.3
121.10142	3.4
123.04427	2.8
123.08028	2.4
124.01575	2.6
125.09546	1.6
129.07011	4.3
129.20737	1.1
131.08575	17.8
133.10139	2.9
137.05995	1.6
137.09630	7.1
139.03848	2.0
141.05467	33.6
143.08603	2.8
145.10107	2.4
147.08052	1.6
147.11679	17.2
147.82440	1.2
149.09648	12.7
152.01004	3.4
153.05470	20.2
157.10112	1.6
159.11685	2.1
161.13263	8.9
165.05434	1.9
165.12737	8.0
167.03401	100.0
170.02034	2.2
175.14835	4.1
177.05499	4.7
179.07042	2.7
185.13281	11.8
191.07019	1.5
195.06520	4.5
198.33522	1.2
203.14297	12.1
205.08638	1.4
206.06779	1.4
217.08655	1.3
221.15379	7.1
252.09180	1.3
271.13205	2.8
343.19095	1.6
361.19986	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	361.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	2.4
55.01871	26.5
55.05503	7.2
57.42916	1.8
60.01373	1.6
63.02148	1.7
66.04926	1.6
67.05499	14.0
68.99803	3.3
69.07068	29.6
70.83253	3.3
70.83569	2.5
79.05489	15.2
81.07049	13.8
83.04977	3.6
83.08620	5.3
91.05499	12.2
93.07058	4.9
95.04982	5.4
95.08604	13.2
97.06528	45.5
98.21035	2.3
105.07038	21.0
107.08598	8.3
109.06538	8.5
109.10146	2.4
111.08086	3.4
111.20233	1.7
117.07037	3.1
119.08575	9.2
121.10153	2.4
123.04443	2.8
123.08074	50.1
124.01557	3.2
125.09657	6.0
129.07039	2.3
131.08595	2.7
133.06499	3.8
133.10153	3.9
135.08037	4.1
137.05975	3.0
137.09578	4.2
139.03877	2.1
141.05470	47.8
147.08047	3.3
149.09697	2.0
151.07539	29.7
152.01044	5.1
153.05453	9.8
161.13242	5.0
163.28969	1.7
167.03401	100.0
167.07112	2.4
170.02097	2.5
175.14862	6.5
177.05475	4.2
181.48959	1.8
185.13255	5.1
193.15842	3.6
203.14325	17.7
221.15363	39.9
231.10245	2.2
270.77563	1.7
361.20139	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	361.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.8
55.05509	9.9
57.07081	8.5
65.03919	1.4
67.05510	14.8
68.99768	2.0
69.07066	4.2
70.46810	4.3
71.08628	2.7
79.05497	11.0
81.03410	2.5
81.07059	19.5
83.04970	4.5
83.08642	2.0
85.06576	1.6
85.10183	14.4
91.05489	9.1
93.03373	1.3
93.07039	5.9
95.04976	12.4
95.08606	12.5
97.06538	5.5
97.10180	2.9
98.20796	1.6
98.21324	1.6
99.08097	2.1
105.07034	7.7
107.04961	3.6
107.08582	2.3
109.06519	9.3
109.10155	4.8
113.09637	17.0
119.08596	6.4
121.06501	1.1
121.10143	2.6
123.08054	3.7
125.06004	12.5
131.08571	1.6
133.06508	2.6
133.10129	1.9
135.08084	2.0
135.11624	1.5
137.05984	2.9
139.03899	1.9
139.07558	5.0
141.05481	5.7
143.07022	2.2
147.08109	1.9
151.07571	4.7
153.05428	7.2
155.10585	1.7
161.09549	2.2
161.13435	1.4
163.07436	1.4
165.09221	2.0
165.12741	2.8
167.03415	64.0
167.07019	7.8
167.14235	1.6
177.05458	2.8
179.14325	52.0
189.09183	1.7
193.15900	10.8
195.06540	11.0
203.14345	3.9
205.08815	1.6
209.08127	2.7
215.07036	3.3
221.15375	100.0
231.10117	2.6
233.08047	2.9
237.66925	1.2
299.28775	1.3
343.19080	12.1
343.22760	1.8
361.20221	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	361.2009
Annotation	Komaroviquinone
Peak:m/z	Relative Intensity
53.03928	2.1
55.01876	8.5
55.05514	7.9
57.03434	1.9
57.06868	1.1
57.07077	12.9
66.81423	1.1
67.05507	16.8
68.99792	2.8
69.07066	13.7
69.84542	5.1
71.08639	12.7
79.05492	8.5
81.03395	3.7
81.07054	20.2
81.29852	1.5
83.01322	1.3
83.04976	4.6
83.08603	4.3
85.06539	1.6
86.07670	1.2
91.05492	9.7
93.07052	6.9
95.04961	3.6
95.08617	10.4
97.06530	12.3
98.21189	2.9
103.05508	1.8
105.07010	10.3
107.04923	3.8
107.08601	7.3
109.06517	4.9
109.10138	4.1
110.98438	1.2
115.05484	1.7
115.92806	1.1
117.07047	3.3
119.04961	1.3
119.08568	7.1
121.06499	4.2
121.10158	2.8
123.04426	3.1
123.08078	10.9
123.11693	3.5
123.91599	1.2
125.09679	2.4
127.03947	2.3
129.06999	2.5
131.04958	1.8
131.08563	2.4
133.06496	1.5
133.10109	3.0
134.03627	2.2
135.08110	2.5
135.11668	1.2
137.05963	4.3
137.09636	1.4
139.03912	4.5
141.05482	13.1
141.12723	3.4
143.08594	2.4
145.10143	2.3
147.08034	1.9
147.11716	2.3
149.05884	2.1
149.09816	1.4
151.03979	1.8
151.07549	9.3
153.05479	7.7
155.07027	4.8
159.11702	1.7
160.05200	2.7
161.06013	2.4
161.09634	1.5
161.13277	2.5
162.03120	3.5
163.11371	1.1
163.14763	1.2
167.03404	90.9
167.07047	9.8
168.33220	1.5
170.02135	2.8
175.07558	2.6
175.14824	1.9
177.05501	15.9
179.03384	4.5
179.06990	2.5
181.04965	26.2
181.15831	2.1
185.13164	1.8
189.16423	2.3
191.06982	2.8
193.04967	5.5
193.08607	3.0
193.15848	3.0
195.06454	1.9
203.03510	1.3
203.07056	19.8
203.14322	4.6
205.04990	27.9
207.06537	2.0
217.08624	2.5
219.06508	17.6
221.08112	10.8
221.11490	1.7
221.15341	9.6
223.06035	9.5
252.23268	1.3
269.01358	1.2
343.18976	5.1
343.22614	2.4
361.20065	100.0
361.23584	6.0
361.28854	6.6
362.20483	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	361.2008
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
53.03934	1.8
53.39144	1.3
55.01862	2.0
55.05511	5.5
56.62396	1.4
57.03437	22.8
65.03928	1.6
67.05507	12.5
69.03433	1.5
69.07058	2.1
70.82212	4.3
71.05008	2.2
79.05487	15.8
81.07059	13.0
81.85810	1.5
83.01337	2.4
83.04980	5.4
85.06552	4.3
91.05472	19.5
93.07037	10.2
95.04978	4.5
95.08614	11.2
98.20968	2.1
99.08074	2.2
100.52567	1.4
105.07027	14.8
107.04958	4.1
107.08601	12.4
109.06522	7.3
109.10156	3.9
117.07017	3.1
119.08583	17.4
120.87306	1.5
121.06444	1.9
121.10158	6.5
123.04467	2.3
123.08115	2.8
125.06014	2.5
125.09605	1.7
128.06271	1.8
129.07014	4.0
131.08575	21.8
133.10106	4.2
137.09610	7.5
141.05449	25.5
143.08464	3.3
145.10156	3.9
147.08089	3.3
147.11685	15.0
149.02365	1.8
149.09618	14.2
153.01875	1.8
153.05461	14.5
159.11720	1.9
161.13280	12.0
165.12726	7.6
167.03407	100.0
167.07100	4.2
175.14836	6.3
177.05464	4.8
179.07082	2.4
185.13242	9.5
193.05054	4.7
193.08687	1.8
195.06537	4.6
203.14343	12.4
217.08504	3.0
221.15395	7.7
343.18625	1.6
361.19925	8.0
361.28806	5.5
381.02847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08230	3.2
51.71400	3.3
53.03946	9.0
55.05510	4.5
67.05508	4.1
69.03429	8.0
69.66739	25.2
69.76682	3.6
79.05503	24.4
81.03422	7.4
81.07067	6.2
83.04990	7.2
91.05490	36.0
93.07040	16.7
95.04974	11.7
98.20827	6.8
98.21375	7.0
103.05499	19.4
105.07053	13.6
107.04966	52.6
109.06545	6.3
115.05453	6.0
117.07008	9.3
119.04950	9.0
119.08618	4.3
121.06531	25.4
121.07256	3.9
122.03658	5.2
123.04445	13.0
123.08084	3.8
124.05272	5.0
125.06029	7.4
127.03960	5.4
128.06247	8.1
129.07005	31.4
131.04948	13.9
131.08591	11.0
133.02910	5.0
133.04868	4.0
133.06523	8.5
135.04430	7.9
135.08052	10.9
137.05995	50.7
141.07030	4.1
145.06490	8.5
146.07286	5.7
147.04433	8.5
147.08104	7.1
149.06017	14.9
151.03955	9.8
151.07515	32.5
152.04710	4.2
152.06134	4.5
153.05475	23.7
154.07635	4.8
155.08603	5.3
157.06519	23.2
161.05991	49.6
161.09669	14.1
163.07568	43.3
165.05528	9.1
165.06975	7.0
165.09102	7.9
166.06258	10.7
167.07065	77.4
167.08444	5.3
169.06569	4.3
174.06781	14.1
175.07573	9.7
177.05453	4.6
177.09166	10.1
179.07030	13.4
179.08534	7.7
180.07832	10.8
181.06377	5.0
181.08612	93.7
182.07295	11.2
182.39726	3.6
183.08049	6.1
189.09120	100.0
191.08585	4.2
191.10666	5.4
195.08057	16.0
197.09689	6.1
207.08299	7.0
207.10086	21.2
210.06853	8.8
219.08098	10.1
221.06116	6.3
223.07529	9.4
223.11201	7.0
225.09093	26.3
227.07080	9.1
235.07491	6.7
237.09151	5.6
239.10669	5.8
241.08545	5.2
247.40665	4.1
251.07159	7.2
251.10750	11.1
253.08607	15.4
255.06503	5.8
255.10268	7.9
257.08395	3.8
257.11673	19.1
259.85733	3.7
263.07269	4.3
267.10410	3.9
269.08136	4.3
271.13565	5.2
283.09671	19.4
283.13379	12.0
285.07825	7.1
285.11188	36.5
298.32312	3.7
302.11597	5.1
311.12854	8.2
315.12167	18.7
317.13782	17.6
329.13834	6.7
331.15533	5.2
343.15482	9.2
361.16599	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	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16698	2.1
55.01866	2.5
55.05523	2.6
57.03436	2.9
57.07056	3.6
57.65462	2.0
59.04997	3.4
61.02932	16.4
67.05493	4.3
69.03435	22.7
69.07056	4.6
71.04985	3.4
71.09031	4.3
73.02901	2.6
76.02252	1.9
79.05471	7.1
81.03414	4.5
81.07074	10.8
81.07469	1.9
83.04969	8.8
85.02906	25.2
85.06534	5.7
91.05478	8.2
92.66009	2.2
93.07045	8.3
95.04957	5.2
95.08600	6.0
97.02885	8.8
97.06514	6.4
99.04439	4.0
99.08109	3.2
103.05489	3.3
105.07015	5.3
107.04957	5.3
107.08603	4.3
109.02884	3.2
109.06467	3.8
109.10149	3.6
111.04424	2.7
113.06033	4.1
115.07618	2.5
119.08529	2.8
121.06522	4.7
121.10145	40.5
123.04394	9.6
123.08031	5.7
123.88097	2.3
127.03915	7.9
131.04953	3.7
131.08588	2.9
135.04474	2.6
135.08052	3.4
135.11681	3.7
137.05988	10.0
137.09579	2.2
139.11185	74.6
145.04933	6.2
145.10069	2.9
147.04451	3.4
151.03943	2.3
151.07535	4.4
153.05458	3.3
153.12775	2.5
160.42728	2.1
161.05977	4.5
163.07494	6.9
163.11128	6.5
165.05530	3.4
165.09166	2.4
167.07082	15.4
172.13377	2.2
179.07018	7.1
181.04965	7.9
181.06476	2.6
181.08582	5.0
181.12244	12.3
189.09113	5.8
191.07034	2.6
191.98610	2.1
199.13312	100.0
207.06473	10.0
208.09756	3.0
209.10036	3.5
225.09285	2.8
285.10950	3.4
361.06418	2.0
361.12708	4.8
362.02719	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01872	3.9
55.05497	4.0
65.03936	2.8
67.05486	5.5
69.07067	4.0
69.60261	1.7
69.64105	8.7
71.04984	2.2
77.06316	1.8
78.04708	3.0
79.05490	18.6
81.03366	2.4
81.07070	11.2
83.04969	2.0
84.23164	2.0
85.02908	1.7
91.04943	3.1
91.05485	29.2
93.07047	17.2
94.21651	2.2
95.04964	8.4
95.08594	8.3
97.06530	2.8
98.21185	6.6
101.56516	1.7
103.05467	11.1
105.03377	2.1
105.07034	16.2
106.04164	2.6
107.04962	36.7
107.08611	4.1
109.02875	5.1
109.06539	4.2
109.10153	5.5
111.04435	3.2
115.05444	3.6
115.70906	2.0
117.07018	7.9
118.04163	2.6
119.04945	8.1
119.08595	7.8
120.05731	2.4
121.06520	19.2
121.10106	5.8
123.04440	9.8
123.08002	3.0
123.11645	3.4
124.05217	4.5
125.06005	5.2
128.06221	11.4
129.07013	29.6
131.04945	12.3
131.08607	13.4
133.02829	2.1
133.06479	6.0
133.10143	5.1
135.04411	5.3
135.08072	8.9
135.11734	3.0
137.05974	18.6
138.03154	1.8
139.07463	2.2
141.06992	2.0
143.11034	1.8
145.06464	7.3
145.10139	2.3
147.04436	4.4
147.08083	3.0
148.05098	2.8
149.05998	5.7
149.09578	1.8
150.06776	2.5
151.03914	7.8
151.07547	19.6
152.04651	6.0
152.06316	2.5
153.05487	18.1
153.06807	3.0
154.07678	3.0
155.08524	2.7
157.06485	19.4
158.07137	2.2
159.08022	4.6
159.11697	2.0
161.05980	34.6
161.09572	9.4
163.07539	22.4
165.05620	3.8
165.06995	9.2
165.09093	10.1
166.06273	12.9
166.07626	3.5
167.07059	84.9
167.08553	6.6
167.14293	2.2
169.06583	2.1
173.06026	2.7
174.06767	12.4
175.07559	9.5
177.05498	2.1
177.09126	11.9
178.07863	3.9
179.07027	8.0
179.08594	7.2
180.07820	1.9
181.05104	3.4
181.06607	4.4
181.08606	100.0
182.07239	6.2
183.08070	4.1
187.07556	2.7
189.09119	78.6
190.07863	3.3
191.06882	2.0
191.08559	4.4
191.10628	3.2
193.06538	4.3
194.07265	5.1
195.08054	12.5
197.09615	11.0
199.07498	2.8
203.10738	2.1
207.06412	2.5
207.08249	4.7
207.10193	12.8
208.08842	5.1
209.05984	2.7
209.09608	2.2
210.06792	5.6
211.07489	6.1
212.08311	3.6
218.07353	3.1
219.08051	5.1
219.10201	3.5
221.06044	3.9
222.06743	4.7
223.07579	9.5
223.11177	4.4
224.08347	3.1
225.05493	2.2
225.09132	18.4
227.07056	5.3
229.12250	4.6
235.07645	4.6
236.08353	3.5
237.05537	2.5
237.09090	5.6
239.06960	4.5
239.10693	4.3
240.07845	4.5
241.08711	3.1
242.09319	2.4
251.07060	3.8
251.10655	8.0
251.20145	3.7
253.08664	13.8
255.06493	5.2
255.10193	7.3
257.11752	16.6
264.07904	2.1
265.08362	2.7
267.10077	3.2
268.07352	3.3
268.11069	2.4
269.08035	3.7
270.08859	4.0
271.13031	2.0
279.10245	5.0
283.09631	12.5
283.13187	10.1
285.07928	3.8
285.11206	35.5
286.11801	3.1
296.10330	3.2
297.11108	3.2
299.09280	3.0
299.12674	5.3
302.11469	3.5
311.12894	5.8
315.12320	15.0
317.13861	22.7
329.13507	3.8
331.15463	5.6
343.15460	13.3
361.12372	3.4
361.16757	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
55.01884	2.6
55.05510	7.4
65.03928	2.6
67.05501	3.6
68.73679	2.0
69.03412	3.5
69.07063	3.6
69.46302	19.4
73.02961	2.2
74.50002	2.4
74.58961	2.5
79.05495	16.3
81.07056	11.6
83.08635	6.7
85.02894	4.8
85.06540	6.2
91.05487	28.5
93.07050	21.1
94.04189	3.1
95.04964	9.2
95.08623	8.3
97.02901	3.0
98.20778	5.6
99.08100	2.5
103.05496	12.4
105.07030	15.9
107.04960	29.7
107.08601	3.1
109.06501	5.2
109.10163	3.9
111.04442	3.4
111.08089	9.0
113.02357	3.0
115.05473	6.3
117.07013	6.2
119.04923	9.6
119.08632	4.3
121.06511	21.1
123.04436	9.1
123.11681	3.9
124.05255	6.6
125.05993	4.1
128.06212	7.9
129.07010	25.8
131.04938	9.9
131.08575	12.7
133.02855	5.1
133.06502	5.4
135.04381	2.4
135.08076	7.3
137.06003	19.5
145.06490	6.8
147.04411	6.9
148.05235	3.7
149.06004	7.3
151.03882	5.4
151.07544	22.0
152.04674	4.6
153.05424	18.3
153.06744	2.8
155.07115	2.7
157.06474	22.0
159.08037	3.8
161.05986	37.4
161.09634	10.9
163.07562	20.7
165.05667	4.8
165.06995	7.9
165.09154	6.7
166.06247	10.1
166.07550	2.8
167.07059	100.0
167.08472	4.5
174.06747	12.6
175.07549	7.1
177.09105	7.7
179.07066	6.4
179.08574	4.7
180.07945	3.2
181.05003	3.8
181.06433	4.3
181.06725	4.7
181.08597	78.7
181.10188	4.6
182.07272	9.1
185.11678	2.8
189.09103	71.1
189.10716	4.1
191.08583	2.9
191.10780	2.7
193.06599	4.5
193.08641	2.9
194.07329	4.7
195.08022	12.6
196.08862	2.8
197.06036	3.0
197.09650	9.9
199.07465	4.4
207.08180	5.6
207.10182	14.1
208.08997	4.1
210.06735	6.1
211.07616	6.2
212.08417	2.7
219.08063	6.5
221.05992	4.5
223.07536	6.5
224.08257	3.1
225.09116	17.4
226.09869	3.1
227.07129	8.2
235.07544	3.5
237.09039	3.0
239.07010	5.0
240.07883	6.9
241.08617	3.1
245.12837	4.1
251.07008	3.8
251.10689	4.3
253.08626	9.9
255.06676	4.0
255.10243	2.7
257.08365	2.5
257.11694	14.4
265.08737	2.8
269.08115	3.2
270.08832	5.2
279.10248	3.7
283.09753	10.7
283.13278	6.8
285.07971	3.8
285.11115	24.5
296.10278	3.2
299.12750	4.0
301.11688	5.3
311.12720	8.6
315.12350	18.2
317.13730	17.9
329.10995	3.6
343.15427	10.1
343.19263	2.8
361.12674	5.4
361.16507	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.06660	1.8
53.99430	1.5
55.01869	3.7
55.05495	1.8
65.03932	2.7
67.05493	4.1
69.03399	2.0
69.07054	2.1
69.68403	5.8
69.68812	2.4
71.04996	1.8
75.04093	1.5
76.51791	1.7
77.03925	2.8
78.04717	3.3
79.05499	17.7
81.07057	7.5
85.02894	2.5
85.06536	4.2
91.05483	32.5
93.07058	16.1
95.04978	7.9
95.08585	4.5
98.21011	4.9
103.05473	15.9
105.07045	15.5
106.04170	2.4
107.04960	38.7
107.08588	3.9
109.02870	3.2
109.06499	6.5
109.10136	3.9
111.04434	4.3
111.08102	1.6
115.05451	6.4
117.06998	6.8
119.04942	7.9
119.08559	5.5
120.05682	3.7
121.06513	22.0
121.10128	2.1
122.03629	2.5
123.04421	7.6
123.08071	1.6
124.05194	6.0
125.05976	3.6
128.06264	11.8
129.07013	30.5
131.04932	12.6
131.08560	13.1
133.02802	2.8
133.06467	7.0
135.04448	6.1
135.08089	11.1
136.05191	1.9
137.05988	24.9
138.06796	1.9
141.06992	2.6
143.04906	1.7
144.05740	2.6
145.06500	8.4
146.03607	1.7
146.07291	3.8
147.04402	6.3
147.08057	2.7
148.05226	6.7
149.05997	9.0
149.09579	2.3
150.06693	1.7
151.03853	3.2
151.07550	23.7
152.04698	5.0
152.06203	2.8
153.04407	2.2
153.05458	17.4
153.06828	3.5
156.05690	2.2
157.06511	20.3
159.08051	2.9
161.05988	41.0
161.09613	10.6
162.06633	2.0
163.03941	2.3
163.07573	27.7
165.05545	4.1
165.06995	8.8
165.09163	10.3
166.06264	13.4
166.07617	2.2
167.07068	67.7
167.08549	7.3
169.10080	2.1
173.05911	2.3
174.06799	11.3
175.07491	9.4
177.09152	9.7
178.07779	3.4
179.07024	5.2
179.08566	6.7
180.07756	4.7
181.06580	6.8
181.08600	100.0
182.07312	11.3
182.08742	3.1
183.08102	3.0
187.07474	2.1
187.50923	2.2
188.08284	2.0
189.09116	77.9
190.07816	3.2
191.08611	3.9
191.10632	3.4
193.06516	3.9
194.07260	5.5
195.08046	11.2
197.09666	10.5
198.06755	1.8
199.07593	2.6
203.10580	2.6
207.08043	4.9
207.10144	15.0
208.05267	2.1
208.08820	4.4
209.05966	2.9
209.09657	1.8
210.06734	8.2
211.07515	6.3
212.08194	1.7
219.08052	6.2
220.14482	1.6
221.05963	6.7
221.09859	1.6
223.07529	6.0
223.11217	3.6
224.08316	2.8
225.09073	16.2
227.07002	6.7
227.10545	3.4
229.12173	3.8
235.07460	4.6
236.04700	2.2
236.08325	3.6
237.09181	3.0
238.06232	1.9
239.07077	5.9
239.10689	2.9
240.07802	5.5
241.08603	4.1
242.09294	3.3
243.10065	1.7
247.07471	3.0
250.06429	1.8
251.06990	5.4
251.10675	5.9
253.08630	13.2
255.06453	2.7
255.10210	6.0
257.11734	17.1
259.09988	1.9
265.08633	4.0
267.10165	3.2
268.07156	2.2
269.08084	3.7
270.08713	5.0
271.09735	2.5
271.13281	3.3
279.10147	8.1
281.08264	1.9
283.09613	11.5
283.13278	8.6
285.11230	34.6
297.11017	3.4
299.12845	5.1
302.11496	7.0
311.12695	6.4
315.12256	20.4
317.13840	19.0
329.13876	3.2
331.15332	3.2
343.15527	9.3
361.16446	7.4
361.20767	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	361.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01868	4.1
55.05492	1.7
57.07065	1.8
63.02372	2.1
63.43050	1.4
65.03937	2.7
67.05506	5.6
69.03429	2.8
69.07066	4.8
69.24982	2.6
69.25378	16.2
78.04680	2.8
79.05506	17.7
81.03424	3.7
81.07049	11.1
82.61414	1.7
83.04977	2.4
83.08624	2.6
85.06530	2.2
91.05487	25.7
93.07047	19.4
95.04976	12.2
95.08617	6.4
98.21403	5.5
103.05457	12.3
105.04552	2.7
105.07037	15.6
106.04137	2.4
107.04961	36.6
107.08581	3.3
109.02885	4.2
109.06537	4.5
109.10171	5.1
110.03701	2.0
111.04470	5.5
111.08131	2.0
115.05465	6.4
117.07043	7.1
119.04953	6.9
119.08573	6.8
120.05746	2.0
121.02863	3.0
121.06516	20.7
121.10099	3.4
122.03727	1.7
123.04482	10.9
123.08028	2.7
124.05223	5.8
125.06030	5.1
125.09595	2.1
128.06216	9.9
129.07014	30.1
131.04935	9.2
131.08569	14.0
133.02879	2.2
133.06508	5.0
133.10152	3.4
135.04398	3.8
135.08118	8.3
135.11717	2.4
136.05153	2.2
137.06007	20.1
138.03137	2.7
138.06741	3.2
140.04697	2.2
141.06949	2.7
145.06514	6.3
145.10197	2.2
147.04442	6.4
147.08072	3.2
148.05226	5.2
149.05960	8.2
149.13364	3.0
151.03931	6.7
151.07553	19.0
152.04730	4.2
152.06157	2.9
153.05479	14.4
153.06786	3.0
155.07103	3.3
155.08640	2.5
157.06512	18.3
159.08090	2.0
161.06001	35.3
161.09618	11.6
163.07530	16.4
163.11192	2.3
165.05661	3.1
165.07021	7.6
165.09140	11.2
166.06308	11.2
166.07655	2.7
167.07074	80.5
167.08571	9.0
173.06024	2.3
173.13350	2.2
174.06770	13.5
175.07556	9.7
176.06293	2.3
177.05522	1.8
177.07008	2.5
177.09164	8.7
179.07051	5.6
179.08580	7.2
181.05125	3.6
181.06613	5.8
181.08606	100.0
182.07288	9.0
183.08109	3.5
189.09131	76.4
190.07849	2.7
190.09554	2.7
191.06955	2.1
191.08565	3.9
191.10684	4.2
193.06445	3.6
194.07333	5.7
195.08089	14.6
196.08620	2.3
197.05972	3.8
197.09669	10.6
199.07530	2.5
207.06392	2.0
207.08147	5.7
207.10229	13.7
208.08858	3.4
209.06100	2.2
210.06775	5.6
211.07532	7.4
212.08315	2.4
213.09079	1.9
218.07423	1.7
219.08069	4.3
221.05986	5.8
221.09583	3.2
222.06799	2.3
223.07550	8.6
223.11205	4.8
224.08319	5.0
225.05595	3.1
225.09129	18.6
227.07097	6.9
235.07616	5.6
236.08353	3.7
237.09082	4.5
239.07103	5.3
239.10590	4.1
240.07791	7.7
241.08534	3.4
247.07437	2.5
251.07030	5.5
251.10670	5.8
253.08621	18.8
254.08997	2.9
255.06654	3.9
255.10010	6.7
257.11783	18.7
259.09497	2.0
265.08569	3.5
267.06549	3.3
267.10010	2.6
268.07074	1.7
269.08072	4.8
270.08896	4.3
271.13257	2.8
279.10126	6.0
281.08203	2.4
282.09064	1.8
283.09616	12.1
283.13232	11.8
285.11194	31.8
286.11707	2.3
296.10251	1.9
297.11191	2.8
299.09528	2.1
299.12881	4.6
301.13852	2.6
302.11438	5.1
311.12842	8.3
315.12088	14.0
315.15353	3.1
317.13937	22.4
329.13239	9.9
331.15460	3.6
343.15384	11.4
361.16260	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01871	1.9
55.05507	1.6
57.03444	1.6
59.05001	6.4
69.03429	11.9
69.07064	1.6
71.04987	2.4
71.56588	1.4
73.02912	1.6
73.06553	1.8
81.03414	10.0
81.07020	1.2
83.04977	3.4
85.02911	13.5
86.54362	1.0
87.04459	7.0
91.05445	2.3
93.07063	3.1
93.57420	1.2
95.04951	1.2
97.02894	21.4
99.04466	5.9
105.05512	3.1
105.07029	3.3
107.05013	1.6
109.02863	6.4
113.02372	100.0
113.03558	4.0
117.07069	1.3
119.07313	1.6
119.08595	3.6
121.06508	1.6
123.04443	2.7
127.03925	23.0
129.05472	1.2
131.08601	1.9
133.10207	2.2
135.04463	1.4
137.05959	2.3
139.03954	1.1
145.04968	10.0
146.60359	1.2
149.05994	3.2
153.05476	1.5
159.11687	5.5
162.22572	1.3
163.07516	2.4
165.09157	3.1
167.06984	2.0
181.05009	1.4
181.08684	2.2
191.06961	2.3
192.07381	1.9
205.12276	2.7
208.09689	2.7
209.10014	4.7
223.13243	10.7
231.08719	3.6
237.05409	1.3
239.07077	1.3
253.08430	1.3
271.09607	1.8
311.05463	4.2
316.12030	1.5
343.08087	9.2
361.14514	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63670	1.5
52.79007	1.9
53.03940	4.3
54.83202	1.5
55.01869	3.1
65.03923	2.1
66.91843	1.7
69.03423	2.2
69.07074	2.0
70.01256	7.1
78.04720	2.2
79.05490	15.4
81.03417	3.2
81.07033	6.4
83.04993	2.4
85.06542	3.2
91.05475	30.5
91.06008	2.7
93.07034	12.1
95.04956	10.5
97.02888	1.6
98.21047	3.7
98.57961	1.6
103.05466	12.0
105.04537	2.1
105.07030	17.3
106.04170	2.1
107.04955	37.3
107.08584	3.8
107.66517	1.7
109.02827	1.8
109.06498	2.1
110.03625	2.9
111.04389	1.6
111.08076	2.9
115.05458	4.2
117.07014	6.5
119.04909	8.1
119.08602	2.8
120.05739	4.7
121.06498	15.3
121.10157	2.1
122.03664	2.5
123.04435	8.0
124.05191	4.5
125.05992	3.3
125.56759	1.7
128.06224	7.6
129.07008	34.1
131.04924	11.3
131.08566	12.9
133.02847	3.4
133.06505	5.1
135.04414	5.6
135.08055	7.6
137.05972	21.1
139.07483	2.6
140.04648	1.6
141.05461	1.8
141.06931	1.9
143.04852	2.0
143.08615	2.0
145.06490	6.8
146.07185	2.9
147.04419	7.9
148.05229	4.2
149.05969	7.7
150.06769	2.9
151.03900	5.2
151.07555	20.9
152.04733	4.3
152.06194	2.5
153.01894	2.1
153.05446	14.4
153.06679	2.6
154.07864	1.9
157.06493	18.3
159.08145	1.9
161.05971	37.7
161.07236	2.7
161.09613	14.5
163.07524	22.2
165.05603	3.4
165.06996	9.1
165.09135	9.0
166.06267	11.7
166.07602	2.9
167.05614	3.9
167.07053	81.5
167.08549	7.0
171.08003	2.5
173.05948	2.1
174.06798	13.4
175.07494	9.0
177.06944	2.3
177.09143	9.7
177.12570	2.0
178.07843	1.8
179.07135	4.0
179.08571	5.3
179.10770	2.8
181.05086	2.9
181.06532	5.8
181.08592	100.0
182.07265	7.6
182.08830	3.1
183.02873	3.0
183.08034	2.2
189.09105	77.3
190.07779	2.9
191.07024	2.6
191.08574	5.3
191.10602	2.7
193.06540	3.1
193.10208	2.9
194.07220	3.9
195.08035	12.2
196.08849	2.6
197.05948	2.2
197.09671	9.7
199.07539	3.9
203.10648	2.1
207.08305	3.7
207.10095	10.9
208.08838	6.2
209.06038	4.4
209.09575	2.8
210.06749	6.4
211.07596	4.5
212.08321	4.9
213.09131	1.9
219.08031	5.2
221.06044	5.4
221.09590	2.2
222.06781	5.6
223.07561	8.1
223.11153	4.3
224.08279	2.6
225.09071	15.1
227.07059	5.3
229.12256	3.2
235.07605	4.2
237.09079	3.7
238.06133	1.8
239.07030	4.3
239.10626	2.2
240.07791	4.2
241.08620	4.9
242.09276	3.1
247.07568	4.9
251.07040	4.0
251.10626	6.5
253.04828	2.6
253.08592	17.7
255.06480	2.1
255.10184	6.0
257.11694	18.3
265.08569	3.6
267.10178	3.4
268.07410	2.0
269.07974	3.8
270.08810	4.2
271.13345	2.5
272.06683	2.4
279.10193	6.0
281.08063	3.0
282.08810	2.0
283.09677	13.2
283.13248	8.8
285.07898	3.5
285.11166	35.5
287.09106	3.4
296.10440	2.8
297.11169	3.4
299.09103	2.9
299.12744	6.8
300.09796	2.9
302.11368	3.2
311.12814	9.6
315.12241	18.6
317.13867	20.3
327.68289	1.9
329.13815	3.0
331.15402	2.9
343.15387	11.7
361.05310	2.4
361.12662	2.7
361.16437	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	359.2579
Annotation	methoxydihydrosorgoleone
Peak:m/z	Relative Intensity
55.01859	3.7
55.05516	18.8
55.33056	1.1
56.31783	1.3
57.07068	2.6
65.03925	2.4
67.05508	86.5
69.03439	8.0
69.07073	15.1
69.59465	9.6
79.05494	20.4
81.03386	1.1
81.07059	100.0
83.00889	1.5
83.01344	13.9
83.04974	5.8
83.08621	8.5
85.02928	2.1
91.05492	6.6
93.07055	20.3
95.04961	3.8
95.08611	77.4
97.02909	1.3
97.06541	9.4
97.10187	3.4
98.21308	3.9
105.07031	6.0
107.04976	2.2
107.08593	15.0
109.06512	5.0
109.10161	40.8
109.10912	2.3
111.04477	6.0
111.08079	2.7
115.00343	1.3
117.06962	1.8
119.08578	4.5
121.06538	2.3
121.10139	8.1
123.08083	4.4
123.11702	19.5
125.02365	16.0
125.05975	4.4
125.09628	2.8
127.03913	1.5
129.07085	1.4
131.08562	4.8
133.10124	4.2
135.08043	2.9
135.11688	6.5
137.05998	2.7
137.09605	3.2
137.13286	8.7
139.07521	3.3
140.04651	3.0
141.05466	15.4
141.21046	1.3
143.08557	1.9
145.10161	4.4
147.08093	1.8
147.11665	2.4
149.09601	2.0
149.13298	3.6
151.07602	1.4
151.11147	1.4
151.14827	2.5
153.05478	25.4
153.09074	2.8
156.65738	1.3
159.11662	3.5
161.09651	3.1
161.13261	3.1
163.07701	2.2
163.11258	1.9
163.14818	1.7
165.09099	1.7
165.16441	1.3
166.94054	1.3
167.07143	2.2
167.10681	2.5
171.11659	1.5
173.13251	1.6
175.11226	1.4
175.14783	1.9
177.12732	2.8
177.16373	2.0
179.07043	2.2
179.10672	1.6
181.05016	1.5
181.08638	3.9
181.12285	1.8
185.13300	2.0
187.14786	2.9
189.12798	2.7
193.08624	2.4
193.12398	1.3
195.10204	6.7
197.13181	1.5
201.12730	3.0
207.10158	1.5
209.11690	9.7
215.14293	2.0
217.15807	1.4
221.11748	2.0
223.13274	17.6
235.13284	3.0
237.14844	21.4
243.17413	1.5
243.21147	2.0
249.14957	6.1
251.16437	24.3
257.15292	2.4
263.16467	7.2
265.17984	18.7
271.16974	2.0
272.67862	1.3
275.16577	6.1
277.18085	10.1
279.19559	6.4
289.18039	7.7
291.19571	4.1
293.21152	2.8
303.19568	13.1
317.21069	5.1
341.24759	2.8
359.25812	83.1
360.26147	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	0.8
69.03422	1.3
69.26469	0.8
70.06596	0.8
79.05499	1.0
81.03423	1.0
82.25038	0.7
85.02909	4.1
97.02872	1.3
107.04933	1.2
113.03507	1.6
121.02882	2.0
123.04475	0.8
127.03935	1.1
133.02843	3.5
135.04428	2.7
145.05078	0.8
149.02350	100.0
150.02675	1.4
151.07523	0.8
161.06052	1.2
163.03911	71.1
167.03421	1.3
167.07056	1.5
178.03340	0.7
181.04971	27.8
181.08598	1.3
189.09251	1.1
286.12372	0.7
297.12030	0.8
315.13434	3.1
317.14471	0.7
344.97186	0.7
360.05527	0.8
360.15594	6.2
361.05527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06409	0.7
55.01856	1.7
57.03423	1.8
67.08885	0.8
68.99774	2.0
69.03432	0.7
70.06601	4.0
70.74963	2.2
79.05472	1.2
81.07047	1.5
82.94102	0.8
83.01333	1.6
91.05458	3.6
93.07026	1.4
95.04988	4.4
96.04460	0.9
98.06774	0.7
105.03395	0.7
105.07018	2.1
107.04926	2.0
107.08578	1.3
109.06549	0.8
115.05390	0.9
117.07005	3.4
119.04960	4.9
121.06480	4.1
123.04430	36.3
135.04395	2.9
135.08043	3.6
136.07568	1.9
137.05969	3.0
145.06506	4.0
147.04404	12.8
147.08118	0.8
149.05974	3.1
151.03896	3.0
152.56773	0.7
161.05972	3.1
163.03857	1.7
163.06264	1.5
163.07538	16.8
165.05484	8.0
167.07045	1.3
173.06012	7.0
175.07565	1.5
179.07031	6.6
185.06017	1.0
190.08624	16.9
191.07031	71.3
203.07014	4.3
208.09695	100.0
209.10046	1.1
220.09666	1.7
276.23611	0.8
325.10730	7.1
328.89038	0.8
337.15332	0.7
342.13443	3.1
343.11725	11.2
360.14444	41.2
361.14664	2.5
379.66183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01850	11.8
57.03418	11.4
61.02918	9.6
69.03430	40.0
70.37386	8.5
71.04967	3.7
73.02900	10.0
77.93526	3.0
81.03401	6.1
85.02908	100.0
92.89034	3.0
97.02890	32.9
98.21201	7.4
99.04449	5.3
101.02382	5.1
102.57925	3.1
109.02884	8.3
123.05831	3.4
127.03918	69.3
127.35584	3.0
129.61641	3.6
136.07545	3.3
137.93069	3.3
138.05443	3.9
140.36403	3.1
145.03891	4.5
145.04971	55.3
152.07115	15.2
163.06030	18.8
173.02800	3.4
180.06567	13.1
198.07570	8.9
241.11070	3.3
307.98593	3.7
360.12415	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	361.0547
Annotation	3,3',4-Tri-O-methylflavellagic acid
Peak:m/z	Relative Intensity
53.03944	0.2
55.01877	0.5
55.05499	0.3
57.03421	0.6
59.70094	0.2
65.03929	0.8
67.05482	0.7
68.99790	1.1
69.03429	0.5
69.07060	0.4
69.47038	1.3
79.01852	0.8
79.05480	0.7
81.03413	1.4
81.07050	0.9
83.01369	0.5
83.04954	0.5
85.02901	2.3
85.06530	0.4
86.64004	0.2
91.05480	1.2
93.03404	0.7
93.07023	0.7
95.01320	0.3
95.04958	0.8
95.08601	0.5
97.02904	0.6
97.06520	0.2
98.20741	0.4
98.21353	0.4
103.05467	0.7
105.03416	0.6
105.07034	0.6
107.01330	0.3
107.04955	1.3
107.08607	0.4
109.02894	1.6
109.06499	0.2
109.10113	0.3
111.00804	0.5
111.04418	0.4
119.04967	0.4
119.08577	0.4
121.02879	1.8
121.06491	0.9
121.10152	0.5
123.04432	1.5
125.02358	1.4
126.03103	0.4
127.03920	0.4
128.06207	0.5
129.07001	1.2
131.04953	0.3
131.08571	0.6
133.02832	1.0
135.04414	0.2
135.11771	0.3
137.02318	1.7
137.06026	0.7
138.03123	0.6
139.03926	1.9
139.11166	0.2
140.04657	0.4
141.07005	0.2
143.03375	1.0
146.07307	0.3
147.04391	0.3
149.02341	1.9
149.06032	0.2
150.03157	0.4
151.03914	1.8
151.07556	0.6
153.01831	13.9
153.02872	0.6
153.05467	0.4
153.06709	0.2
157.06465	0.9
161.02342	2.4
161.05984	1.0
163.03860	0.8
163.07559	0.7
165.01849	2.3
165.05563	0.2
165.06981	0.4
166.02599	0.5
166.06256	0.4
167.03413	3.3
167.07066	4.4
171.02924	0.4
171.04413	0.5
174.06764	0.3
175.03975	0.3
175.07567	0.4
177.01845	1.6
177.05470	0.6
179.03400	3.9
179.07042	0.3
181.04991	0.6
181.08620	2.3
183.02911	0.5
185.05974	1.1
187.03911	0.3
189.01823	0.8
189.05467	0.7
189.09111	1.4
191.03421	0.4
193.01299	0.4
194.07231	0.3
195.02902	4.6
195.04573	0.3
195.08038	0.3
197.06093	0.3
199.03888	0.6
203.03391	0.6
203.06960	0.3
205.04953	0.3
207.02928	1.2
207.10150	0.3
208.03671	0.4
213.05537	2.3
215.03380	0.4
216.04271	0.3
217.04974	0.9
219.02936	0.5
223.04007	0.3
225.09131	0.4
227.03371	0.4
229.04921	0.4
230.05751	0.5
231.02876	0.4
231.06506	0.9
233.04448	0.9
235.02386	0.3
237.03885	0.3
241.04974	2.6
244.03703	0.7
245.04489	0.9
251.03429	0.4
253.08611	0.4
255.02896	0.2
257.04340	0.6
257.11719	0.4
258.05276	1.1
259.02634	0.4
259.06024	2.2
261.03937	0.5
263.05563	0.3
267.13016	0.2
269.04501	2.6
272.03271	0.4
273.03967	0.5
275.05484	0.6
277.03485	0.4
279.02853	0.3
283.09821	0.2
283.13245	0.3
283.96948	0.2
285.11111	0.5
286.04807	1.1
287.05499	4.5
289.03485	0.6
290.04166	0.6
291.04990	0.5
297.03937	2.7
301.03494	1.9
303.05020	0.9
304.05743	0.7
305.06525	0.2
314.04514	0.9
315.04980	10.7
315.12402	0.4
316.05542	0.4
317.02991	1.2
317.13898	0.4
318.03677	4.3
319.04462	0.3
325.03375	0.7
331.04498	3.1
332.05252	5.5
333.05936	0.9
343.04498	5.4
344.04514	0.2
361.05530	100.0
362.05844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1129
Annotation	PD 169316
Peak:m/z	Relative Intensity
50.79520	0.8
53.03941	2.5
53.62077	0.7
57.03434	1.0
59.05008	9.2
61.02913	1.1
69.03435	12.4
70.06660	0.8
70.06969	3.5
71.04964	1.6
73.02911	0.8
79.05473	0.9
81.03428	6.9
83.04973	1.1
85.02911	12.5
86.09706	0.9
87.04468	2.0
91.03968	0.8
91.05527	0.9
95.01364	0.7
95.02477	1.2
97.02902	19.4
98.21132	2.0
98.53348	0.7
99.04453	3.5
105.05495	1.3
105.07081	0.7
109.02891	6.3
113.02377	100.0
113.03578	3.1
121.06509	1.1
123.04454	1.2
127.03925	26.1
145.04965	9.2
159.11687	1.0
174.80721	0.9
175.11240	0.7
178.62439	0.9
181.08667	1.2
191.07045	1.0
205.12244	1.1
208.09654	1.4
209.10063	2.3
223.13394	2.2
231.08698	3.9
340.85162	0.8
343.08182	1.3
361.14651	14.0
368.65503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2216
Annotation	Hippochromin B
Peak:m/z	Relative Intensity
50.28868	0.6
53.03941	1.5
55.01870	2.1
55.05516	3.7
57.07042	0.7
65.03941	1.3
67.05510	20.7
68.99780	0.7
69.07071	2.6
69.82259	1.7
69.82664	1.3
74.12471	0.6
79.05494	16.8
81.07062	16.0
82.65414	0.5
83.01340	3.3
83.04993	1.3
85.06499	0.5
91.05065	0.7
91.05497	8.1
93.07043	16.5
95.04976	2.6
95.08613	15.2
97.06532	1.2
97.59502	0.5
98.20873	1.4
98.21465	1.1
105.07043	4.2
107.08595	12.6
109.06521	4.0
109.10164	5.8
117.07014	2.8
117.61801	0.6
119.08570	4.0
121.06477	0.9
121.10154	13.7
123.08063	2.0
123.11693	1.2
125.05995	0.8
131.08585	3.3
133.06493	0.8
133.10117	2.1
135.08055	1.5
135.11684	2.2
137.06006	4.0
138.03137	3.5
139.11151	1.1
143.08617	0.7
145.10136	3.5
147.11615	0.9
149.09641	1.1
151.07561	1.3
153.05466	2.0
155.07034	6.0
159.11684	1.3
161.06046	1.2
161.13269	7.3
163.14822	10.6
165.09062	1.0
166.02608	4.5
167.03358	0.9
167.07054	24.0
177.05460	1.0
177.09151	0.7
177.16431	1.3
179.03392	0.5
179.07018	1.4
181.04964	100.0
181.08333	4.4
182.05301	1.1
183.06572	1.8
184.03685	4.5
187.14828	8.6
191.06999	3.5
193.08607	6.9
205.08617	1.1
205.15961	3.8
209.08063	7.4
213.80595	0.6
219.10179	1.3
221.11827	2.6
223.09589	1.8
231.10283	1.1
233.11708	0.7
237.11063	0.9
249.11287	0.7
271.13321	0.8
329.38303	0.5
341.21109	2.6
359.22208	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	359.2217
Annotation	4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03923	0.5
55.05510	2.2
56.56086	0.3
57.07053	1.1
67.01869	0.6
67.05513	2.6
68.99792	0.4
69.07067	2.3
70.25287	0.5
70.25678	0.7
79.01840	0.4
79.05467	0.7
81.07057	2.1
83.08598	0.6
91.05451	0.4
93.07021	1.1
95.08631	1.5
97.10160	0.3
97.73834	0.3
98.21028	0.5
101.43204	0.3
105.06969	0.3
107.04938	0.4
107.08579	0.4
109.10138	0.5
111.00803	0.5
121.10143	0.5
123.04449	0.7
135.08023	0.3
137.05984	0.4
139.03909	7.7
151.03996	0.3
153.01837	17.5
155.03496	0.3
163.03882	1.1
163.07483	0.3
163.32944	0.2
165.01855	0.3
169.42525	0.3
171.02885	0.4
177.05440	0.6
178.02600	0.4
179.03409	5.3
179.47122	0.3
181.04973	0.7
191.03392	1.1
191.07010	0.6
192.04179	4.7
193.04942	1.2
203.07002	0.4
205.04971	83.9
206.05655	2.7
217.04935	0.5
218.05827	0.4
219.06491	2.5
220.31151	0.3
227.02206	1.0
229.00127	0.6
231.06595	0.3
233.08093	0.5
247.01204	0.3
247.09618	0.4
251.16710	0.3
275.12894	0.3
289.14383	0.5
303.15857	0.6
317.17578	0.3
359.22180	100.0
360.22498	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	359.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43117	0.6
53.03940	1.9
55.01865	2.6
55.05510	4.9
57.03429	1.0
63.41664	0.7
65.03928	1.5
67.05505	26.5
69.03423	1.0
69.07054	2.9
69.55925	5.1
71.04978	1.0
79.05494	21.0
81.07056	20.3
83.01327	3.4
83.04966	2.2
83.08619	1.7
85.06554	1.6
90.24745	0.7
91.05483	10.4
93.07044	16.2
94.68418	0.7
95.04961	2.7
95.08605	13.9
97.06537	1.6
98.21181	2.7
105.07027	6.4
107.04938	1.2
107.08595	14.2
109.06532	4.1
109.10155	7.2
117.06995	2.8
119.08578	4.6
121.06478	1.7
121.10141	19.3
123.04482	1.0
123.08093	1.3
123.11700	2.4
125.05984	1.0
131.08582	4.3
133.10097	3.1
135.08081	1.4
135.11682	2.9
137.05992	5.4
138.03181	3.3
139.11159	1.0
145.10109	4.0
147.11754	1.2
149.09593	0.9
151.03885	0.8
151.07561	1.1
153.01782	1.1
153.05453	2.8
155.07037	8.9
159.11702	1.3
161.06001	0.8
161.13260	6.8
163.11089	0.7
163.14830	13.3
166.02632	4.4
167.03377	1.0
167.07056	28.6
177.16367	2.5
178.06281	0.8
181.04961	100.0
181.08487	2.9
182.05234	1.1
183.06487	1.3
184.03664	3.7
187.14789	9.0
191.07008	4.6
193.08644	6.1
205.08578	1.1
205.15941	7.0
209.08092	5.2
214.90579	0.8
217.08618	0.8
219.10184	1.1
221.11678	4.4
223.09601	3.2
233.11696	1.1
237.11168	1.2
263.12799	0.7
275.16351	1.6
318.13968	1.0
318.18259	0.7
341.21112	4.9
359.22073	16.3
359.25824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64499	0.6
53.03935	1.6
55.01868	1.7
55.05502	3.6
67.05502	21.0
68.90320	0.7
69.03414	0.7
69.07063	3.1
70.88767	0.8
70.89077	0.9
71.04981	1.0
78.35594	0.6
79.05056	0.9
79.05491	13.7
81.07054	16.7
83.01338	3.9
83.04965	1.1
83.08590	0.9
85.06566	1.0
91.05482	8.4
93.07050	17.6
95.04967	1.4
95.08602	11.6
97.06533	1.4
98.21127	0.8
105.07045	5.1
107.08592	12.3
109.06504	2.2
109.10152	5.3
111.08095	0.6
117.07011	2.0
119.08578	3.7
121.06526	1.1
121.10150	15.8
122.34696	0.5
123.04455	0.6
123.07995	0.7
123.11708	1.3
125.09618	0.7
127.12821	0.6
131.08543	4.2
133.06404	0.9
133.10100	1.6
135.08057	1.6
135.11652	1.5
137.05978	4.0
137.09579	0.8
138.03131	4.1
139.11160	0.8
141.05438	0.8
142.06265	0.6
145.10120	3.6
147.11708	0.8
149.09601	0.7
151.03914	0.9
151.07576	1.5
153.05496	1.5
155.07042	6.7
159.11745	1.4
161.05997	1.4
161.13249	6.7
163.14824	8.9
165.09132	0.7
166.02614	4.5
167.03326	0.7
167.07047	21.8
175.07558	0.6
176.04774	0.6
177.16370	1.6
179.07071	0.7
181.04959	100.0
181.08276	3.1
183.06519	0.8
184.03653	5.0
187.14822	6.7
191.07018	3.0
193.08626	6.7
199.33757	0.6
205.08470	0.7
205.15829	3.4
209.08083	6.6
219.10130	0.9
221.11736	3.2
223.09698	2.1
237.11174	0.8
247.13214	0.6
341.21103	2.6
359.22217	8.3
359.37006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2214
Annotation	Canrenoate
Peak:m/z	Relative Intensity
53.03940	1.9
55.05512	7.3
61.39503	1.4
65.03962	2.1
67.05505	52.3
68.99783	3.0
69.07072	2.2
69.99345	7.8
79.05490	15.1
81.07061	53.4
91.05473	5.6
93.07043	23.0
94.03252	1.6
95.04979	1.9
95.08605	43.8
97.06541	2.0
98.19108	1.5
98.20921	3.5
105.07043	5.8
107.08594	9.7
109.10162	25.4
111.00828	2.3
111.08109	1.6
119.08597	4.1
121.10138	14.7
123.04497	2.3
123.11709	13.0
127.03916	9.9
131.08580	3.3
133.10139	5.8
135.11713	11.7
137.05954	2.5
137.13277	5.0
139.03915	34.8
145.10114	2.6
147.11736	2.7
149.13217	9.3
153.01831	100.0
153.05420	3.9
155.03404	3.6
159.11699	4.3
161.13213	2.4
163.03900	2.0
163.14825	3.4
165.05444	8.4
167.07037	4.6
179.07065	2.1
181.04964	33.8
181.08517	2.2
187.14870	2.3
189.16391	21.1
191.07069	3.0
191.17969	5.7
193.08595	4.9
195.06525	4.0
203.07164	1.7
205.08557	3.8
205.19585	2.2
207.10202	2.6
209.08150	4.3
215.17903	13.7
223.09709	2.0
233.18967	10.8
235.09613	1.8
251.12544	1.7
259.13437	2.4
275.16443	1.8
323.20056	1.6
341.21158	10.6
359.22116	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	359.2215
Annotation	Canrenoate
Peak:m/z	Relative Intensity
53.03941	1.4
55.01867	1.2
55.05511	3.7
65.03944	1.3
66.42693	0.9
67.01872	1.3
67.05506	48.9
68.99796	2.4
69.03451	2.6
69.07072	4.9
69.75568	6.4
79.05492	13.6
81.07058	46.4
83.04967	0.9
83.08633	1.6
83.23724	1.0
83.83731	1.0
88.97422	0.9
91.05485	6.4
93.07050	12.5
95.04975	1.8
95.08604	39.3
98.21189	3.4
101.41780	1.1
105.07030	5.3
107.08602	10.5
109.10158	22.7
111.08129	1.0
117.07013	1.3
119.08595	4.5
121.10152	9.5
123.04420	1.6
123.11714	9.1
125.06044	1.4
127.03907	7.6
130.78436	1.1
131.08589	2.4
133.10120	5.5
135.11707	8.7
137.05972	2.8
137.13272	2.5
139.03908	30.9
145.10106	2.4
147.11714	3.7
149.13257	9.4
153.01831	100.0
153.05446	3.1
154.02118	1.2
155.03416	2.3
159.11687	1.5
163.03946	2.8
165.05492	9.5
167.03354	1.4
167.07190	1.3
167.14369	1.6
173.13388	1.3
177.05502	1.5
181.04948	12.7
189.16377	14.3
191.07060	3.1
191.17950	5.8
193.05008	1.6
193.08627	5.9
195.06572	3.4
203.07060	2.0
205.08641	3.6
207.10179	1.9
209.08168	1.3
215.17924	8.1
219.10193	1.7
233.18996	11.7
238.29601	1.0
251.12701	1.1
265.14331	1.1
297.55945	1.1
341.21158	8.3
359.22198	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2217
Annotation	Hippochromin A
Peak:m/z	Relative Intensity
50.11263	0.7
53.03946	2.3
55.01880	1.8
55.05521	4.6
57.03425	1.3
57.07072	1.1
65.03944	2.2
65.26776	0.7
67.05509	36.5
69.03440	1.4
69.07063	3.5
69.62160	3.9
69.62569	1.7
79.05496	22.1
81.07063	28.7
83.01357	2.2
83.04987	1.3
83.08641	1.6
85.06561	1.3
91.05490	10.5
93.07048	22.7
95.04965	2.5
95.08614	21.4
97.06532	2.1
98.21464	1.7
105.07037	5.6
107.04982	0.9
107.08602	13.7
109.06528	3.0
109.10158	11.8
111.04497	1.1
117.07020	2.4
119.08582	5.5
121.10153	20.9
123.04414	1.0
123.11734	5.1
125.06030	1.6
125.09664	0.8
127.03927	4.6
131.08562	3.4
133.10153	4.0
135.08124	1.1
135.11696	5.1
137.05991	2.9
139.03911	10.8
139.07608	2.4
141.05492	1.6
145.10178	5.4
147.08072	1.9
147.11731	2.0
149.09605	1.5
149.13281	3.1
151.03917	1.3
151.07555	0.9
152.78792	0.8
153.01833	28.2
153.05486	3.6
155.07034	6.9
159.11717	2.7
161.13255	5.9
163.11197	2.1
163.14815	11.7
165.05492	2.2
165.09103	0.9
167.03352	4.1
167.07062	21.4
173.13394	0.8
175.07552	1.3
177.09059	1.0
177.16370	1.8
179.06985	1.8
181.04973	100.0
182.05305	1.0
187.14809	7.3
189.16374	4.6
191.06982	4.4
191.17921	1.7
193.08582	5.0
203.17926	0.8
205.08476	1.7
205.15886	8.1
207.06560	0.9
207.10107	1.2
209.08058	4.9
215.18001	3.4
219.10216	1.6
220.29990	0.8
221.11739	1.9
223.09657	3.6
225.49910	0.8
231.10115	1.8
233.11775	1.6
233.19035	3.4
235.09932	0.9
255.62770	0.9
271.13556	0.9
341.21036	5.9
359.22217	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	359.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01866	8.1
55.05510	18.5
57.03428	6.4
57.07074	2.9
58.04657	2.3
65.03930	10.9
66.34100	2.5
67.05507	39.0
68.37855	2.8
69.03431	24.0
69.07070	18.1
70.03395	5.9
70.03808	8.3
71.01325	2.6
71.05002	15.0
79.05488	25.3
81.03411	38.3
81.05850	2.4
81.07056	58.8
82.62822	3.0
83.04981	10.7
83.08620	8.9
85.02904	18.2
85.06537	9.5
88.54425	2.5
90.61444	2.3
91.05482	39.4
93.07040	26.0
95.01341	2.7
95.04993	12.2
95.08605	55.9
97.02914	8.3
97.06530	17.5
97.10184	6.9
98.21236	5.5
99.04466	7.1
99.08061	3.2
103.05464	4.7
105.07027	29.8
107.04955	11.7
107.08579	19.8
109.02874	14.4
109.06540	10.7
109.10162	13.7
110.03669	4.5
111.04485	12.9
117.07040	8.3
119.04970	3.7
119.08591	24.1
121.02861	16.6
121.06519	10.1
121.10175	13.6
123.04460	5.5
123.08092	8.4
125.05994	9.9
127.03902	11.9
128.06262	3.9
129.05507	3.2
129.07013	5.1
131.04935	4.2
131.08589	7.3
133.10124	20.6
135.08035	12.1
135.11676	11.7
137.05949	15.1
137.09602	3.3
137.13342	4.3
139.07552	2.6
141.07011	3.1
143.08607	4.1
144.05667	3.0
145.06560	6.3
145.10144	9.3
147.04424	5.3
147.08051	4.5
147.11687	6.2
148.78841	2.6
149.02287	3.6
149.06029	3.0
149.13292	5.4
151.03938	3.9
151.07521	12.4
153.05482	5.8
153.06935	2.9
155.10628	3.5
159.08058	9.8
159.11723	4.4
161.06024	9.7
161.09621	4.5
161.13248	22.4
163.07533	5.2
165.05673	2.8
165.06941	5.7
165.09216	3.3
166.07816	3.0
167.07057	11.7
167.08473	4.2
173.09550	4.6
173.11765	4.8
173.13231	3.2
175.07568	6.8
175.14766	2.9
176.11406	3.0
177.12732	2.5
178.07782	3.7
179.07083	3.5
179.08560	4.9
179.10774	3.3
179.14301	16.3
181.04979	16.9
181.06519	7.4
182.05400	2.3
182.07278	4.8
183.08067	4.0
184.05276	2.9
184.08742	2.7
187.07623	4.6
191.14407	2.8
193.10078	3.7
194.07314	5.6
195.08037	12.1
196.08844	2.9
197.06046	6.0
197.09799	5.2
197.11800	11.0
197.15361	3.0
198.06660	3.8
199.07509	2.6
205.06525	6.7
207.08105	6.3
209.06009	5.2
209.09654	3.7
209.15327	3.3
210.06837	11.2
211.07561	7.1
212.08365	7.8
213.09108	5.4
219.08037	4.4
219.13959	3.3
221.06064	4.3
221.09604	11.8
222.06773	4.7
222.10323	3.9
223.07510	13.8
223.11234	3.6
224.08347	7.5
225.09236	11.2
225.15007	2.5
227.07146	8.1
227.10785	3.1
234.06708	4.9
235.07574	6.0
237.09190	8.3
237.14908	9.0
238.06252	6.4
238.10002	8.2
238.38869	2.8
239.07045	13.7
239.10822	6.7
240.07777	22.8
241.08609	6.1
242.05763	3.2
245.15509	2.6
246.05222	3.0
248.08270	2.9
249.09239	7.8
251.07086	6.2
252.07874	7.8
253.08617	37.6
253.12311	11.2
254.09244	5.8
255.06570	7.7
255.10144	8.8
257.08209	9.8
263.16342	3.1
265.08652	11.2
266.09314	8.3
267.06891	3.0
267.10214	11.0
268.07404	6.1
269.08182	12.7
270.08856	5.2
277.08688	2.5
277.17996	3.1
279.10147	2.9
281.08127	8.4
281.11758	15.2
282.09055	3.5
283.06415	5.3
283.09702	18.4
284.10455	6.7
285.07675	5.4
285.11252	6.1
287.16547	6.4
295.09720	6.4
297.07721	5.1
297.11240	5.7
298.08493	9.5
298.11868	3.8
299.12790	16.7
300.09714	15.1
305.17551	10.2
305.25006	3.2
309.11069	13.2
310.11996	5.9
311.12723	3.4
313.10754	69.1
313.14398	35.8
315.12234	4.2
323.18500	26.7
326.11530	8.1
327.08435	5.6
327.12250	62.9
331.15250	17.8
341.13831	33.7
341.20020	10.7
359.11334	4.8
359.14972	100.0
360.15421	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	359.1853
Annotation	Rosmaquinone A
Peak:m/z	Relative Intensity
50.21711	1.5
55.01881	3.9
55.05507	6.1
65.03937	2.7
67.01890	2.1
67.05508	50.2
68.99799	2.2
69.03423	2.1
69.07065	3.2
70.76141	5.2
73.56049	1.7
79.05495	32.5
81.03400	2.4
81.07061	100.0
82.07373	1.5
83.04984	2.2
83.08611	5.2
91.05481	17.2
93.07040	23.4
95.04959	9.4
95.08607	24.3
97.06537	3.9
98.21166	1.6
99.04481	2.1
105.07043	12.4
107.04960	3.7
107.08597	19.6
109.06523	36.5
109.10164	13.2
111.04472	2.5
111.08047	2.5
117.07018	10.0
119.04970	3.8
119.08586	9.5
121.06509	3.4
121.10138	12.9
123.04475	2.2
123.08035	3.6
123.11703	3.9
127.03938	2.6
129.06941	2.1
131.08563	15.6
133.10146	4.9
135.08051	20.0
135.11690	3.5
137.05992	15.8
137.09639	3.2
139.03905	7.5
139.07549	6.1
141.05475	75.0
143.08540	2.3
145.06485	2.0
145.10123	12.9
147.11691	3.4
149.09686	3.4
149.13269	3.4
151.03848	1.9
151.07541	4.4
153.01849	18.0
153.05444	15.1
155.07057	12.6
155.08183	2.1
156.19824	1.5
157.10135	3.5
159.08090	3.8
159.11711	9.5
161.13275	5.6
163.07590	1.9
163.11154	3.4
163.14810	5.7
165.05511	2.7
167.03413	56.4
167.07051	24.4
173.09740	1.7
173.13252	10.4
175.07605	2.0
177.05547	3.7
177.16333	1.7
179.06996	3.4
181.03365	3.6
181.04967	60.4
183.11696	4.4
187.14883	8.4
189.16382	3.4
191.07037	5.1
191.14378	4.5
193.08580	5.6
195.06479	1.9
201.12654	7.5
203.07043	1.9
205.08554	2.3
205.15894	5.4
207.10196	3.2
209.08095	3.2
217.08640	9.6
219.10516	1.9
219.13797	12.3
221.11745	2.2
231.10190	2.8
233.18987	2.8
275.16211	1.7
301.19775	1.7
341.21057	5.1
359.18655	2.7
359.22284	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01870	5.6
55.05503	8.2
55.10603	2.1
67.05507	25.7
69.03413	9.9
69.07047	4.5
69.82052	6.2
69.82459	9.5
71.04980	4.4
79.05502	28.0
81.03418	5.2
81.07058	52.7
83.04954	5.3
91.05481	38.5
93.07055	26.3
95.04974	13.1
95.08620	13.2
97.06512	5.6
98.20970	5.9
99.04414	2.9
105.07030	22.2
107.04961	4.5
107.08572	16.5
109.02837	2.5
109.06534	21.1
109.10152	6.3
111.08112	3.0
115.05486	3.8
117.07027	30.9
119.04951	3.0
119.08583	28.9
121.06514	6.5
121.10174	6.2
123.04430	5.8
123.08049	5.8
127.04002	2.7
129.06984	9.0
131.08560	24.7
133.10120	8.9
135.08057	23.2
135.11711	5.6
137.05974	14.9
139.03891	4.1
141.05467	57.4
141.07025	2.7
143.08528	9.7
144.09265	2.7
145.06514	3.1
145.10117	9.4
147.08011	3.8
149.09605	5.6
151.07539	4.8
153.01802	3.6
153.05470	20.2
155.08556	8.6
157.10118	7.9
159.08083	3.4
159.11717	44.1
161.09668	12.1
163.11220	5.5
163.14893	2.7
167.03413	100.0
167.07034	8.7
170.02075	4.1
173.13263	10.7
175.11053	3.1
177.05447	5.3
177.12732	8.4
179.07047	10.5
181.08589	2.6
183.11691	16.2
189.09111	3.8
191.07120	5.0
195.06544	5.5
201.12720	17.7
205.08614	5.7
207.10175	3.5
209.08008	4.0
217.08617	7.8
219.13841	12.3
223.06017	5.8
239.37294	2.7
341.17429	10.2
344.05130	2.9
359.07703	13.3
359.18460	11.1
359.22192	4.6
359.25787	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	359.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
55.01883	3.8
55.05510	10.3
57.03437	4.8
67.05513	26.5
68.60874	3.4
69.03438	10.7
69.07072	8.5
69.81596	22.5
79.05495	30.6
79.09853	3.4
80.86117	3.5
81.03432	4.0
81.07064	50.9
83.08621	5.4
89.59403	3.6
91.05482	49.2
93.07050	32.1
95.04980	15.1
95.08610	16.6
98.21169	12.2
105.07030	23.8
107.04995	8.9
107.08605	17.0
109.06525	21.0
109.10185	6.6
115.17786	3.9
117.07022	27.9
119.04951	3.7
119.08566	33.9
121.06529	8.2
121.10147	10.3
123.04433	8.7
123.08080	7.6
128.06245	6.1
129.07008	9.3
131.08560	27.0
133.10167	14.5
135.08093	18.8
135.11705	5.4
137.05971	11.8
137.09515	4.2
141.05467	51.7
141.07045	3.8
143.08574	8.7
145.06502	4.4
145.10164	12.8
153.01834	12.5
153.05450	25.0
155.08624	6.1
159.08099	3.7
159.11699	40.6
161.09618	11.0
165.05472	4.8
167.03415	100.0
167.07065	7.8
173.13277	13.3
177.05486	7.7
181.04961	8.9
183.11736	14.1
191.07021	5.5
195.06569	6.8
201.12817	16.3
209.08058	5.1
217.08604	7.9
219.13829	9.3
234.29008	3.9
312.03409	4.2
341.17465	10.9
359.07736	7.7
359.18533	10.8
363.51434	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	359.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
54.36082	2.3
55.01866	8.1
55.05514	7.3
65.03946	3.4
67.01875	2.8
67.05505	33.7
68.99789	5.6
69.03444	11.9
69.07067	6.1
69.52671	13.8
79.05501	25.8
81.03420	48.9
81.07060	28.1
83.04976	3.5
83.08623	3.0
85.02924	3.4
85.06560	4.7
91.05486	55.5
93.07045	30.6
95.04973	25.6
95.08621	22.0
97.02876	2.7
97.06538	6.7
97.50498	2.5
98.21350	6.8
99.32355	2.3
105.07034	25.6
107.04944	12.4
107.08598	14.2
109.06547	7.7
109.10155	4.6
111.04457	3.0
115.05466	3.6
117.07038	28.0
119.04939	2.1
119.08581	55.3
121.06500	15.0
121.10154	12.6
123.04460	9.6
123.08096	6.6
123.11701	2.8
125.05988	3.8
127.03936	34.1
128.06242	3.1
129.07025	5.1
131.08571	32.7
133.06528	4.7
133.10126	16.3
135.08051	13.7
135.11703	7.8
137.05991	7.5
137.09621	6.3
139.03889	28.9
140.04309	2.6
141.05450	20.7
141.06996	4.7
143.08559	10.7
144.27657	2.3
145.10152	11.5
147.04318	2.8
147.08044	3.5
147.11694	5.0
149.01410	2.5
149.05945	2.9
149.09641	7.4
149.13275	4.2
151.07503	3.6
153.01834	93.1
153.05441	22.4
155.03391	4.8
155.08594	9.6
156.03650	2.7
157.10153	9.1
159.08067	4.4
159.11707	39.0
161.09633	16.7
161.13264	4.5
163.03929	4.5
163.07582	2.5
165.05501	6.8
167.03406	100.0
167.07065	6.4
168.09364	3.7
170.02150	4.0
171.11710	5.2
173.09633	3.0
173.13280	14.3
177.05531	6.4
177.12735	10.0
179.07051	7.0
181.04936	22.3
183.11697	14.7
187.14877	8.6
191.07043	3.9
195.06544	9.2
197.13309	5.0
201.12735	19.2
205.08568	3.3
215.14301	7.3
219.10385	3.1
219.13853	5.3
231.17294	2.3
233.15338	17.2
323.16422	5.5
341.17294	5.4
341.21164	3.8
359.18369	19.0
359.22183	7.2
359.25851	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	359.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01862	3.6
55.05520	10.2
57.02232	1.8
57.03438	1.9
65.03951	2.2
67.05174	2.1
67.05512	37.0
69.03421	3.2
69.07058	9.1
70.91248	1.6
71.04968	2.3
76.42002	1.7
79.05067	2.5
79.05497	42.9
81.03423	31.5
81.07059	32.0
83.01348	3.2
83.04977	4.6
83.08615	4.1
85.06558	1.6
87.96809	1.6
91.05484	38.0
93.07051	25.1
95.04972	15.4
95.08614	23.1
95.39499	1.5
96.08900	1.7
97.02903	2.4
97.06512	5.7
97.10142	1.6
103.05481	2.0
105.07037	25.4
107.04963	35.5
107.08612	13.7
109.06507	7.2
109.10153	9.2
111.04403	2.2
111.08066	2.0
117.07027	22.2
119.04934	2.7
119.08598	15.9
121.06514	15.2
121.10154	9.6
123.04412	4.3
123.08054	4.5
123.11704	3.2
125.02339	2.1
125.06001	2.2
125.09638	1.5
127.03848	2.0
128.06178	1.9
129.07008	9.8
131.08585	23.8
133.06462	2.7
133.10118	5.8
135.08005	5.2
135.11644	4.7
136.20055	2.0
137.05986	7.9
137.09618	2.8
139.03909	5.1
139.07584	2.9
141.05470	29.2
141.06982	5.1
142.07742	2.1
143.08563	4.7
145.06479	3.4
145.10127	17.8
147.08063	2.2
147.11678	4.6
149.09615	3.4
151.07562	4.7
153.01817	7.4
153.05475	22.8
155.07007	14.6
155.08344	3.4
157.10086	8.0
159.08083	2.5
159.11687	17.9
161.09587	5.6
161.13240	4.2
163.07581	2.1
163.11192	5.2
165.01714	1.7
165.05441	2.4
165.09134	2.5
167.03419	25.9
167.07008	14.7
169.10130	5.2
173.13264	14.5
175.07576	1.8
175.11139	3.5
177.05550	2.8
177.08942	3.3
177.12764	5.2
179.07001	5.2
179.10701	2.2
181.04967	100.0
183.11694	4.8
187.11205	11.0
187.14752	1.8
191.06995	5.0
191.14305	7.0
193.08589	4.7
201.12764	6.2
203.06903	1.8
205.08641	1.9
205.12198	10.3
207.10008	3.7
209.08051	4.0
209.11766	2.1
219.13811	10.3
233.15514	1.6
237.11243	2.8
237.14932	2.3
303.19653	2.2
341.17511	3.9
341.21063	3.5
359.18207	18.2
359.21982	7.0
359.25836	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.7
53.03937	3.3
55.01868	2.1
55.05506	2.6
57.07068	3.1
58.06578	1.1
65.03925	1.6
67.01887	1.8
67.05507	15.9
68.99788	2.4
69.03426	1.5
69.07069	2.0
69.40772	6.9
70.06595	6.2
71.06899	1.0
71.08625	2.2
79.05063	0.9
79.05499	13.0
80.02731	0.7
81.03422	43.0
81.07062	13.8
83.04977	1.6
83.08624	1.6
88.07632	8.1
89.07952	1.3
90.66741	0.9
91.05486	11.3
93.07054	7.4
95.04977	18.3
95.08619	6.3
97.02893	1.0
97.06544	0.9
98.21014	2.9
102.09204	2.0
103.05494	1.1
105.07042	9.8
106.08659	3.7
107.04960	7.7
107.08569	4.6
109.06519	2.9
109.10139	2.2
111.00850	1.2
111.04455	1.3
117.07052	4.8
119.04968	1.4
119.08607	7.0
121.06514	8.5
121.10174	4.6
123.04430	2.6
123.08087	2.2
125.05990	0.9
127.03063	1.4
127.03928	15.7
129.07008	3.2
131.08566	13.5
133.06456	1.1
133.10106	2.9
135.08083	4.2
135.11679	2.0
137.05946	4.3
137.09619	2.9
139.03903	23.0
143.08568	1.8
145.06509	0.8
145.10118	7.1
147.08051	2.0
147.11702	2.2
149.05957	1.2
149.09708	1.3
149.13214	1.5
151.03926	1.4
153.01834	100.0
153.05457	3.3
155.03398	5.5
155.08524	1.2
159.11687	1.7
161.13306	1.0
163.03926	2.2
165.05482	6.4
165.12843	1.3
167.07132	1.1
169.10162	1.3
171.02893	1.5
171.11665	4.2
173.09586	0.9
173.13283	9.2
177.05498	0.9
181.04977	9.4
183.69565	0.8
187.14813	5.6
191.06981	1.2
193.08643	1.5
195.06519	1.5
197.13228	4.4
203.07013	1.5
205.08569	1.2
205.15918	2.0
215.14380	6.8
223.83328	0.9
233.15372	20.2
234.47342	0.8
243.67674	0.9
291.15939	1.0
323.16214	1.3
340.35620	1.5
341.17490	2.6
341.36029	1.8
348.49808	0.8
358.36798	16.2
359.18497	12.1
359.22253	1.3
359.37137	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.63173	0.9
53.03951	1.9
55.01841	1.0
55.05505	1.4
57.03430	1.5
59.04991	1.2
61.02924	1.9
67.05496	2.0
69.03430	5.1
69.07043	0.9
70.06593	1.4
71.04984	1.9
71.08286	1.9
71.08620	1.1
73.02892	1.2
78.49878	0.9
79.05490	4.2
81.03406	2.8
81.07042	3.8
85.02907	16.1
91.05466	5.5
93.07038	7.0
95.04961	2.9
95.08575	1.6
97.02876	3.7
98.21098	1.3
99.04449	0.9
104.77604	1.0
105.07033	7.6
107.04945	1.5
107.08603	19.2
109.02839	2.8
109.06503	1.3
109.10149	2.6
111.10561	0.8
119.08596	3.7
121.06499	3.5
121.10152	1.7
123.11664	1.2
127.03916	3.4
133.10133	18.9
135.11693	19.7
137.06006	2.0
137.09645	2.0
145.04924	2.3
151.11156	3.6
155.27290	1.0
161.09621	10.3
177.05482	1.3
179.10674	33.5
179.12177	1.9
180.11072	1.3
194.18710	1.0
197.11732	100.0
198.11963	1.1
215.72719	0.9
254.85414	0.8
359.14325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16646	0.5
53.03951	2.8
55.01861	2.0
55.05515	2.7
55.08430	0.6
57.03411	0.8
57.07058	2.6
59.60070	0.5
62.59478	0.5
65.03931	1.3
67.05509	14.2
68.99776	1.5
69.03442	1.0
69.07054	1.6
69.61340	3.9
70.06590	4.1
71.06920	0.8
71.08623	1.8
71.40891	0.5
77.03908	1.0
79.05058	1.0
79.05495	18.3
81.03421	32.8
81.07062	9.8
83.01349	3.0
83.04964	1.3
83.08573	0.8
83.81496	0.6
85.02892	0.8
85.06515	0.8
86.90359	0.5
88.07631	5.3
89.07949	0.7
91.04955	0.9
91.05484	11.2
93.06468	0.6
93.07043	9.1
95.04972	7.8
95.08605	6.2
97.02877	2.2
97.06506	1.9
98.20843	1.2
98.21479	1.3
102.09170	2.2
103.05474	0.7
103.09535	0.6
105.07040	7.2
106.08656	4.6
107.04961	23.9
107.08562	3.6
109.06494	2.6
109.10149	3.7
111.00745	1.2
111.04441	0.6
111.08070	1.0
115.05457	0.9
117.07027	6.5
119.04932	0.9
119.08591	6.0
121.06512	11.1
121.10142	2.5
123.08054	1.0
124.76138	0.6
124.92977	0.6
125.05992	2.0
127.03919	8.1
128.06256	0.8
129.06960	1.4
131.04909	1.2
131.08592	7.0
133.10112	2.6
135.08014	1.0
135.11674	1.8
137.05936	3.2
137.09590	2.5
139.07507	1.9
141.06976	3.1
143.08554	2.7
145.06509	1.3
145.10130	13.0
147.08028	2.4
147.11768	0.7
149.09610	1.6
149.13251	1.2
151.07521	2.9
153.05472	2.4
154.07777	1.3
155.07037	14.7
157.10181	0.7
157.82387	0.6
159.08119	0.6
159.11703	9.3
161.09630	4.6
161.13249	0.6
163.11229	3.0
165.05556	1.1
165.09099	1.9
165.95163	0.5
167.07060	15.0
169.10164	4.6
175.07552	1.9
177.05423	1.1
177.12701	3.3
179.03503	1.1
181.04962	100.0
181.08453	2.3
182.05341	1.1
183.06538	3.0
187.11194	13.5
189.55476	0.6
191.07048	2.5
193.08627	4.0
205.12239	9.1
207.10078	1.1
209.08072	1.9
211.11209	0.6
215.17966	1.5
221.11926	0.7
223.09694	1.9
249.92265	0.6
273.14713	0.8
315.34891	0.7
323.16489	1.2
341.17511	1.2
341.35925	2.9
348.44510	0.7
358.36798	13.2
359.18442	12.2
359.22247	2.4
359.25806	1.1
359.37143	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
57.03435	2.3
59.05005	1.8
61.02913	1.7
67.05521	1.5
69.03426	4.6
70.06590	1.7
70.97177	2.4
71.04999	1.2
79.05501	3.3
79.56282	0.9
81.03402	2.2
81.07060	2.8
85.02921	14.0
85.06580	1.8
86.09689	1.5
91.05485	5.7
93.07079	7.0
95.04987	2.4
95.08651	1.8
97.02903	4.1
99.04440	1.4
105.07035	6.8
107.08606	20.2
109.02861	2.1
109.06538	2.2
109.10162	3.0
116.91399	1.2
119.08636	2.4
121.06522	2.2
121.10149	1.1
123.11702	1.2
127.03914	4.0
131.08623	1.4
133.10144	18.5
135.11707	20.7
137.05956	3.4
137.09599	1.7
145.04991	2.0
151.11215	2.0
161.09663	9.7
172.29863	1.0
179.07199	1.3
179.10681	32.1
179.12144	2.1
197.11734	100.0
198.12105	1.8
265.08469	1.5
359.14941	2.4
384.14301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
58.73947	1.4
67.61533	1.1
69.03416	3.4
69.56902	8.6
77.54472	1.0
78.38733	1.1
79.05470	1.8
79.54868	1.0
81.03383	1.3
81.07040	2.0
85.02905	8.8
90.21944	1.3
91.05471	3.4
92.85541	1.2
93.07038	4.8
95.08619	1.9
97.02901	3.4
98.21254	3.9
105.07051	8.2
107.08601	28.6
109.02895	1.8
109.10138	2.0
119.08591	5.7
121.06467	1.8
121.10129	6.1
123.11731	1.4
133.10129	21.4
149.09596	3.4
151.07486	1.5
151.11186	8.0
161.09612	5.5
167.10690	13.5
179.10687	14.2
197.11743	100.0
198.12013	2.5
295.52298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
53.03939	2.4
55.05506	1.8
55.42655	0.6
57.03423	1.1
60.73566	0.6
69.03436	12.2
70.06594	1.3
71.04977	1.0
71.56911	0.6
71.57331	0.7
72.02455	0.6
73.02925	1.1
73.06556	1.3
78.03458	15.1
79.50428	0.6
80.05019	2.3
81.03423	17.9
85.02911	14.6
86.06082	1.5
95.04965	0.8
96.04509	5.6
97.02451	0.6
97.02901	6.1
97.39906	0.6
98.21168	0.9
99.04476	2.5
100.11237	0.8
106.02926	75.0
107.03249	0.8
109.02888	11.3
109.06519	0.6
111.04483	0.8
113.02394	1.4
114.05518	1.8
124.03965	100.0
125.04221	0.7
127.03931	9.4
145.04955	1.6
153.01834	3.2
154.02179	2.4
154.04970	0.7
166.05031	2.2
178.15961	0.6
191.07146	1.5
195.06544	0.7
196.13319	3.2
197.11742	1.3
232.06052	6.3
250.07130	17.2
268.08191	37.0
269.08356	1.1
284.81656	0.7
323.19754	1.2
340.22345	0.9
341.20770	1.0
358.14893	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	359.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.05517	6.9
57.07075	9.6
65.43662	0.5
66.88641	0.5
67.05489	1.8
69.03433	3.8
69.07061	1.1
71.04973	0.7
71.57967	0.6
79.05481	1.6
81.03428	4.0
81.07040	2.3
82.06563	1.4
83.08614	1.2
85.02888	1.6
85.06522	2.3
87.38165	0.6
91.05470	5.7
93.07047	1.2
95.04954	1.1
95.08589	2.3
97.02906	3.5
97.06551	0.7
98.09696	0.6
98.21058	0.8
99.04453	1.0
100.11238	2.4
105.07023	2.0
107.04906	1.4
107.08578	1.7
109.02876	2.5
109.10149	1.1
111.04419	0.6
113.02366	23.1
119.08565	2.0
121.02873	1.2
121.06478	1.0
121.10178	0.9
123.04413	1.0
123.11682	0.8
127.03879	2.1
131.04898	0.7
133.10104	1.1
135.04358	0.7
135.07991	0.8
137.05972	2.4
145.04970	1.4
147.08046	1.3
149.05989	1.1
157.10153	0.6
159.07945	0.5
160.05252	0.9
161.09593	0.7
161.13316	0.6
165.07088	0.6
166.15923	2.0
167.07057	3.5
167.08215	0.6
168.64813	0.6
175.07585	3.0
178.07831	0.7
179.07016	0.6
181.04982	1.2
181.06439	0.9
183.08076	0.8
184.02774	1.2
187.09904	1.4
195.07962	0.8
197.05965	1.1
197.12965	0.7
200.95773	0.7
202.03885	0.6
205.08583	0.9
205.62755	0.9
207.08128	0.8
209.16574	0.8
212.08327	0.6
215.64034	1.3
221.09720	0.8
222.06747	0.9
225.09135	0.7
228.13870	2.6
229.10693	3.5
235.07471	0.8
237.09058	0.8
237.14336	6.3
239.07059	0.9
240.07735	2.1
246.14925	1.2
251.07025	1.0
251.65878	0.8
253.08586	3.5
253.12332	0.9
255.10364	0.7
264.13867	1.3
265.08548	1.0
265.12085	0.7
269.08051	1.0
279.17227	1.0
281.08145	0.8
281.11502	1.3
283.09637	1.3
283.13083	1.1
298.08273	0.7
299.12823	1.6
300.09930	1.2
308.12827	1.1
309.11218	1.8
309.70538	0.6
313.10718	4.1
313.14297	2.9
314.20712	1.4
318.71158	1.4
323.21054	3.1
323.71597	1.2
327.12143	4.6
331.15460	1.1
332.21744	6.7
332.71936	1.8
341.10159	1.1
341.13794	2.7
341.22214	11.4
341.72433	2.8
350.22791	11.7
350.72864	4.2
355.18311	0.8
359.14966	9.2
359.23276	100.0
359.73450	29.7
374.17343	0.9
384.82019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.9
57.03437	2.7
60.04518	1.7
68.05010	3.4
69.03421	5.7
71.56829	1.4
71.57228	1.8
71.91000	1.5
73.06499	1.8
73.87405	1.3
74.06067	1.5
80.04999	1.5
81.03425	3.1
81.07067	1.6
83.04978	1.6
84.04504	2.5
84.08131	1.5
85.02911	7.1
90.58052	1.6
92.81214	1.4
96.04499	2.1
97.02887	4.9
98.97565	3.4
109.02876	2.3
110.06037	2.9
112.07656	1.8
116.98612	1.7
119.01945	3.1
123.06806	2.9
123.61798	1.7
127.03928	3.5
128.07082	3.4
132.06544	3.5
138.05519	3.6
143.01889	2.6
145.03421	2.1
145.05008	1.8
152.07103	3.9
153.01823	17.9
155.01949	2.6
158.06671	2.2
160.07588	2.8
161.02988	2.4
165.97981	1.6
170.08170	3.0
173.01338	1.5
173.02942	3.5
176.07600	1.7
178.08646	5.4
184.04480	1.4
185.03041	1.6
188.07758	2.6
188.09198	7.2
195.53905	1.8
196.03726	100.0
196.09694	13.5
203.03725	1.7
206.10231	3.0
209.03008	1.5
212.07652	1.5
219.01941	1.9
245.04947	1.5
259.02307	1.9
259.06622	2.0
265.39279	1.5
277.03485	4.6
303.01379	6.3
315.59641	1.8
358.08566	54.6
358.15115	5.6
376.98221	1.6
378.00400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03952	2.7
55.05500	1.5
57.03449	1.2
67.05502	0.7
69.03426	9.4
70.06583	0.7
70.11577	0.5
71.04974	1.2
71.56494	0.9
73.02918	0.7
73.06548	1.5
77.66069	0.6
78.03452	10.7
78.03890	0.6
80.05026	2.9
81.02975	1.0
81.03421	14.2
85.02422	0.8
85.02906	11.5
87.85944	0.5
96.04495	3.9
97.02888	4.0
99.04440	2.2
100.23951	0.5
105.07002	0.7
106.02917	58.6
109.02882	8.1
112.03983	1.4
117.06984	0.7
119.04783	0.6
124.03951	100.0
125.04275	0.7
127.03919	6.4
131.50069	0.5
147.04234	0.6
147.58417	0.6
148.11998	0.6
153.01776	0.6
154.02180	0.8
161.05965	0.7
162.74626	0.6
166.05008	1.8
196.06012	0.7
197.11768	1.2
205.57164	0.6
232.06035	5.4
250.07103	14.2
254.19875	0.6
268.08151	33.1
269.08517	0.7
296.10226	0.6
358.13794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03940	3.0
55.01861	0.8
55.05487	1.0
57.03432	1.0
62.33546	0.7
69.03084	0.7
69.03431	11.1
70.06577	2.0
71.04981	1.7
71.17753	1.3
73.02904	0.8
73.06551	1.8
78.03455	11.7
80.05006	2.1
81.03416	15.8
84.04504	0.9
85.02904	13.1
90.41455	0.7
90.89479	0.7
95.05029	0.7
96.04494	5.9
97.02887	4.6
99.04451	3.1
105.07033	0.9
106.02917	66.0
109.02874	10.1
115.55851	0.7
119.04906	0.8
121.10133	0.9
123.04478	0.8
124.03954	100.0
127.03923	8.7
135.04385	0.7
145.04898	0.8
153.01894	1.1
166.05040	2.6
178.03366	0.6
191.07014	1.3
196.04497	0.9
196.09775	1.6
196.13396	1.6
207.22383	0.8
208.09676	1.6
212.05229	0.7
227.10979	0.8
232.06058	5.8
236.22072	0.7
250.07135	15.0
268.08154	34.6
286.38553	0.7
358.15134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2426
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
50.83627	1.4
53.03961	2.6
55.01865	4.7
55.05517	8.8
57.03450	1.6
57.07069	3.1
58.35471	1.4
65.03946	3.1
67.05502	26.3
69.07085	9.8
71.04979	1.6
71.19233	3.5
79.05051	2.1
79.05499	30.5
81.07063	23.9
83.04978	2.1
83.08613	3.4
85.06583	2.1
91.05476	23.9
93.07046	37.7
95.04964	6.5
95.08604	20.4
97.06522	4.1
98.21304	1.8
105.07034	22.7
107.04931	1.9
107.08602	21.2
109.06520	4.3
109.10181	7.7
111.04439	2.4
117.07036	9.3
119.08589	20.2
119.40572	1.7
121.06493	4.3
121.10152	14.6
123.08067	3.6
125.06047	3.4
127.03930	2.2
128.06184	1.5
129.06999	5.9
131.08595	13.1
133.06563	2.7
133.10146	11.8
135.08060	4.8
135.11705	8.8
137.05994	3.5
137.09698	2.9
139.07513	2.6
141.06987	3.1
143.08568	4.7
145.06543	2.3
145.10146	13.2
147.08083	4.1
147.11696	7.8
149.09644	3.4
149.13281	4.9
151.07542	11.0
153.05473	2.5
154.07784	1.7
155.08574	5.1
156.33960	1.7
157.10153	4.1
159.08102	2.1
159.11702	6.4
161.05940	2.1
161.09645	2.5
161.13304	4.4
163.07605	4.0
163.11194	2.6
165.09113	7.5
169.10159	3.8
171.11710	5.3
173.09669	2.7
173.13280	3.8
173.37198	1.4
175.07542	4.1
175.11258	2.8
175.14915	2.7
177.09123	2.4
177.12772	2.3
179.10698	6.9
183.11705	2.3
185.09673	2.6
185.13284	3.6
187.11069	2.2
189.09097	2.8
193.12230	4.6
195.11656	1.6
197.09517	1.5
197.13281	2.5
199.11066	2.4
199.14822	2.0
201.08904	1.8
205.12177	2.7
207.13704	4.0
213.12634	2.6
217.12276	1.8
219.13811	2.6
223.15019	2.2
229.15865	2.0
231.14020	1.9
235.13348	2.0
241.16078	1.5
245.15569	2.5
272.33234	1.6
273.18451	2.3
283.17078	2.0
287.20020	3.6
297.18784	2.4
300.94028	1.8
311.23688	1.9
315.23044	1.7
321.22089	2.5
329.21307	2.2
329.24786	14.2
339.23251	67.0
340.23618	3.0
357.12064	4.9
357.24268	100.0
357.35648	3.7
358.12988	2.4
358.24640	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2423
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
52.24268	1.9
53.03937	5.1
55.00134	2.0
55.01863	3.1
55.05514	15.9
56.21313	1.9
57.03407	2.5
57.07074	4.0
65.03925	2.5
67.05503	41.5
68.99772	2.5
69.03418	8.7
69.07076	17.0
70.06600	3.3
70.25439	7.1
77.50315	2.0
77.65635	1.8
79.02048	1.8
79.05498	60.3
81.06590	2.5
81.07059	46.0
83.01335	13.4
83.04987	7.1
83.08611	9.5
83.68809	1.9
85.02898	4.9
91.05483	37.8
93.07044	83.4
95.04947	8.2
95.08611	37.2
97.06534	10.8
97.10189	4.0
98.21143	4.7
105.07020	35.2
107.04967	2.4
107.08599	58.6
109.06525	5.1
109.10168	13.2
111.04425	8.4
111.08076	2.7
117.06995	7.6
119.08584	26.9
121.06503	5.4
121.10149	33.8
123.04456	2.4
123.11700	3.4
125.02371	10.1
125.05996	7.1
127.03918	8.2
129.07004	5.3
131.08582	14.7
133.10130	23.2
135.08073	3.4
135.11702	38.1
137.06046	3.8
139.03912	18.7
139.07529	2.6
141.05467	9.3
143.08527	5.5
145.09085	2.9
145.10080	12.4
147.08023	5.3
147.11684	25.4
149.09650	4.9
149.13255	17.8
151.07555	3.4
151.11198	2.7
153.01830	64.1
153.05453	17.6
155.03485	2.9
157.10124	7.7
159.11688	9.9
161.09645	3.3
161.13216	11.6
163.03920	2.3
163.07530	5.2
163.14856	7.4
165.05510	5.2
165.09067	2.8
167.07028	4.4
169.10074	2.3
171.11661	5.8
173.09579	2.5
173.13264	8.0
175.07555	2.9
175.14883	3.6
179.07024	3.6
181.04941	14.2
181.08606	2.4
185.13271	8.7
187.14819	21.2
189.16360	17.2
191.07027	4.8
193.08655	3.4
195.06569	3.1
197.13327	2.6
201.12727	2.4
203.14340	5.4
205.08537	2.8
209.11722	5.7
213.16368	12.4
215.14291	5.3
215.17964	3.1
223.13345	8.0
227.10796	2.3
227.14272	3.9
229.15714	3.6
231.10268	2.6
231.17545	8.7
237.14844	4.4
243.14009	2.6
249.14890	3.2
251.16475	4.1
251.98599	2.5
255.17453	2.4
261.14819	3.5
263.16507	2.8
265.18076	2.5
275.16516	3.6
277.18027	7.2
283.20804	2.7
287.16467	7.4
301.18042	8.2
315.19534	5.5
321.18362	5.5
329.21252	5.1
339.19540	18.0
339.23239	5.9
354.36118	2.5
357.20416	18.9
357.24286	100.0
357.35532	22.6
358.24518	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	357.2059
Annotation	Kuguacin M
Peak:m/z	Relative Intensity
50.62899	1.8
53.03954	2.4
55.01877	2.2
55.05519	4.1
56.26583	1.9
59.94366	1.7
67.05508	11.9
69.07059	5.4
69.52770	12.4
76.73821	1.9
79.05497	21.0
81.07052	16.8
91.05484	33.4
93.07045	33.2
95.04967	4.1
95.08613	12.7
98.21411	4.6
99.70361	1.9
105.07028	33.5
107.04946	2.1
107.08585	15.0
109.06512	1.6
117.07013	14.1
119.08578	46.9
119.09449	2.8
121.10162	7.5
125.06059	2.3
125.88570	1.6
127.03915	2.2
128.94035	1.6
129.07007	7.1
131.08569	8.0
133.10133	26.0
135.11679	11.8
137.05966	3.5
139.03943	12.8
143.08557	7.9
145.10120	5.9
147.08066	4.8
147.11707	13.9
149.13275	4.8
153.01826	43.6
153.05492	3.9
155.07025	6.4
157.10103	4.3
159.11696	31.0
161.09634	3.0
161.13257	53.7
165.05428	2.7
165.09138	4.0
167.07053	15.0
173.13353	2.2
175.07581	5.6
175.14812	5.5
178.49661	2.2
181.04959	100.0
185.13266	22.3
187.14861	9.6
189.16359	8.7
191.07002	5.2
193.04906	2.9
193.08658	18.1
195.06580	2.7
196.37318	1.8
203.14296	34.9
205.08672	2.1
209.08144	7.2
213.16391	6.7
219.10060	4.1
223.09686	4.9
231.17419	4.1
237.11194	4.3
273.14923	2.4
339.19501	18.7
356.20239	2.2
357.20517	32.9
382.43225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.206
Annotation	Liphagal
Peak:m/z	Relative Intensity
53.03955	0.8
55.05298	0.8
55.05514	8.5
60.41169	0.7
65.03921	1.9
67.01877	0.7
67.05508	15.2
68.99815	1.1
69.07066	5.2
69.76511	3.0
71.89782	0.7
79.05502	5.7
81.07066	7.6
83.08651	1.4
85.51224	0.8
91.05473	2.9
93.07040	2.4
94.02196	0.7
95.08606	4.9
95.24501	0.7
98.20702	0.9
98.21297	2.6
105.03395	1.1
105.07050	1.7
107.08598	1.5
109.10159	2.3
111.00811	0.7
119.08549	1.9
121.10164	1.1
123.04436	0.9
123.11716	0.7
129.06938	0.7
137.05988	1.3
139.03912	4.8
153.01840	31.8
161.13258	1.2
163.03926	2.5
165.05411	0.9
175.07506	0.8
177.05470	1.2
179.03403	7.5
181.04955	2.3
189.16434	1.8
191.03448	2.0
192.04182	11.9
193.04901	1.7
203.07072	1.0
205.04974	74.6
206.05641	3.4
217.04974	5.3
219.06551	3.3
231.06529	14.8
233.08096	1.1
245.08080	1.0
255.02007	0.8
289.14307	0.7
357.20615	100.0
358.20831	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	357.2059
Annotation	Neodactyloquinone
Peak:m/z	Relative Intensity
50.46195	0.8
53.03939	1.4
55.01859	2.1
55.05511	4.5
59.57720	0.8
62.58871	0.7
67.01875	2.1
67.05507	10.6
68.99793	2.2
69.03430	2.0
69.07081	4.5
69.62956	4.1
69.63382	1.7
79.05491	14.1
81.03408	1.8
81.07058	11.5
83.08602	2.0
85.02917	0.9
91.05479	21.5
93.07052	20.6
95.04969	3.2
95.08609	7.5
97.02924	1.2
97.06530	2.6
97.10162	3.2
98.21130	3.0
105.04558	1.2
105.07034	28.2
107.04884	1.3
107.07887	1.0
107.08591	13.9
109.06501	1.0
109.10136	3.9
111.00755	1.6
111.04431	2.7
111.08100	2.0
115.05476	1.0
117.07021	9.5
119.04967	1.9
119.08593	9.6
121.10133	9.1
123.04452	7.5
123.11700	0.9
125.05967	1.5
127.03914	10.1
129.07018	5.9
131.08562	11.0
133.10135	50.4
134.10425	1.4
135.08075	1.4
135.11681	12.9
137.02542	1.0
137.05986	8.0
139.03905	46.5
143.08551	3.6
145.10141	5.8
147.08089	1.1
147.11694	11.3
149.05998	1.3
149.13252	5.4
151.03786	1.8
151.07581	1.4
153.01831	100.0
153.05408	4.4
154.02180	1.0
155.03386	9.9
155.07034	2.0
155.08585	0.8
157.10150	2.4
159.07957	0.9
159.11693	7.4
161.13240	3.4
162.99916	0.7
163.03923	2.5
165.05469	9.1
165.12762	1.0
167.03410	3.7
167.07065	3.8
171.02924	1.5
171.11707	7.0
173.13222	2.2
175.07567	1.5
175.14832	1.5
177.05449	1.8
181.04970	16.6
185.13240	3.1
187.14853	11.9
189.12781	1.6
189.16367	10.5
191.07069	3.2
192.04166	0.9
193.08632	4.9
195.06544	3.7
199.11157	1.1
203.06989	2.6
203.14365	5.0
205.05022	3.7
205.08626	2.7
209.08194	1.4
213.16411	25.6
217.08626	0.9
219.10265	1.0
231.06561	1.9
231.17455	11.5
237.11255	3.0
257.11722	1.0
264.08594	0.9
285.33939	1.0
339.19568	11.4
357.20602	51.7
358.20877	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2059
Annotation	Neodactyloquinone
Peak:m/z	Relative Intensity
50.39716	1.3
53.03944	2.2
55.05507	5.4
67.05506	14.0
68.99791	1.8
69.07074	4.0
69.58002	8.8
73.52603	1.5
79.05498	27.5
79.30199	1.4
81.07056	20.0
85.69169	1.4
91.05478	22.4
93.07047	39.5
95.04981	3.4
95.08620	11.4
97.02866	1.8
98.21096	4.9
105.06364	2.6
105.07029	21.1
107.08597	28.7
109.06509	1.4
109.10163	5.3
111.00817	1.8
111.58546	1.6
117.07003	5.3
119.08587	18.0
121.10155	15.5
123.04406	2.6
127.03903	6.8
129.07033	2.6
131.08571	7.7
133.10135	26.2
135.11716	20.3
137.05981	3.8
139.03891	33.1
143.08533	3.0
145.10133	8.9
147.11690	19.5
149.13307	5.7
151.11153	1.9
153.01831	100.0
153.05435	3.7
155.03360	3.3
157.10168	3.2
159.11740	5.2
161.13290	8.3
163.03835	2.7
165.05473	8.4
167.07054	1.7
171.11688	3.6
173.13351	2.4
179.07047	1.7
181.04927	16.5
185.13251	4.3
187.14865	20.8
187.16492	2.5
189.16376	18.9
191.06982	3.4
193.08606	6.5
195.06625	5.0
203.06973	2.9
203.14328	5.6
203.17906	3.3
205.04965	4.3
205.08568	3.1
213.16399	15.3
217.08737	2.0
231.17415	12.4
339.19568	14.2
357.20609	35.5
358.20987	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01867	1.3
55.05498	4.2
67.01855	1.6
67.05504	14.2
68.99786	1.9
69.03447	2.2
69.07055	3.7
69.52255	7.2
79.05493	28.6
81.07052	19.9
83.05027	1.4
83.08634	1.3
84.97306	1.2
91.05479	22.3
93.07043	42.0
95.04971	5.4
95.08604	15.7
97.02880	1.7
98.21263	4.8
105.07034	22.3
107.08597	28.3
109.06506	1.7
109.10172	5.2
111.00828	3.4
111.04462	1.6
111.53902	1.2
117.07018	4.4
119.08583	13.5
121.10141	19.4
121.10928	2.1
123.04463	3.1
127.03897	7.2
129.07002	2.0
131.08583	8.2
133.10135	27.1
135.11691	21.9
137.05988	2.8
139.03900	37.4
143.08604	1.2
145.10110	6.3
147.11697	19.5
147.27013	1.3
149.09607	1.7
149.13266	8.0
149.19278	1.2
151.30315	1.2
153.01830	100.0
153.05481	3.7
155.03368	5.0
157.10046	2.8
159.11726	2.6
161.13260	3.3
163.03922	2.5
165.05487	8.9
165.12762	3.3
171.11694	3.4
173.13326	1.6
175.11078	1.5
175.14853	1.4
181.04993	10.0
185.13295	2.1
187.14815	26.0
189.16383	23.1
191.07063	5.0
193.08636	2.4
195.06529	6.0
195.71169	1.3
203.07059	3.1
203.18013	3.3
205.08589	2.3
209.08080	3.0
213.16406	17.4
217.08752	2.0
221.08066	1.6
231.17438	13.6
232.17638	1.3
255.17500	1.5
257.11487	1.3
259.13147	1.3
339.19568	16.1
355.15097	1.3
357.20535	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
55.05511	10.0
59.56671	6.3
67.05491	21.0
67.21754	5.0
69.03423	12.1
69.07045	7.6
71.04975	5.3
79.05471	11.0
80.62858	5.0
81.03423	8.4
81.04533	6.9
81.07066	13.6
83.04974	7.8
85.02896	14.7
85.06538	16.0
91.05420	8.5
93.07021	8.3
95.04948	9.5
95.08611	100.0
97.02874	6.4
98.20802	5.5
99.05595	8.3
105.03378	17.5
105.07037	16.1
106.02921	14.3
106.03684	7.6
107.08585	12.6
109.02915	7.7
109.06525	7.4
112.03962	16.2
113.03488	9.9
113.05993	13.9
119.08617	13.8
121.06448	8.0
121.10145	9.6
123.08080	41.9
124.03952	21.9
131.08516	7.8
135.11690	25.4
137.05986	18.1
137.09576	6.5
147.11690	12.8
149.09622	21.1
151.03961	6.5
161.13252	16.2
163.11191	12.4
165.12697	7.6
167.07021	7.2
175.07494	5.9
177.05475	7.2
189.12801	13.1
191.07057	7.5
193.04909	7.8
207.13782	60.4
221.21104	5.6
265.08682	6.0
265.31195	5.3
268.08029	11.8
300.48428	6.0
330.36536	5.9
339.12247	12.9
357.13443	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1908
Annotation	Suspensoside B
Peak:m/z	Relative Intensity
52.26894	1.6
53.03935	2.9
55.01867	3.0
55.05509	3.1
56.12377	1.5
57.03431	3.3
58.10950	1.4
58.57945	1.5
61.02925	4.5
67.05502	5.6
69.03435	11.7
69.07082	4.4
71.04971	1.8
71.57056	2.1
73.02900	2.7
73.57534	1.6
79.05495	10.6
81.03413	5.6
81.07067	9.5
83.04988	2.5
85.02909	29.2
87.04501	2.9
87.30140	2.1
91.05482	16.3
92.65813	1.8
93.07050	25.7
95.04970	5.2
95.08616	5.0
96.07175	1.9
96.82456	1.6
96.99620	1.5
97.02915	9.3
98.20976	1.6
99.04481	2.5
105.07026	7.0
107.04994	1.6
107.08602	15.3
108.66552	1.7
109.02860	3.2
109.06541	7.7
109.10157	4.3
111.08139	1.6
117.06992	3.8
119.08589	13.8
121.06510	17.6
121.10151	3.6
123.08082	2.5
123.11680	1.9
125.05974	1.6
127.03918	5.8
129.07080	1.5
131.08585	5.7
131.25188	1.5
133.06549	2.7
133.10095	9.0
135.08067	7.2
135.11685	7.4
137.05968	7.7
139.07530	2.3
140.27281	1.6
145.04958	4.3
145.10223	2.1
147.11725	5.4
151.04048	1.9
151.11182	4.5
153.09145	4.9
159.11716	12.6
161.13307	2.1
165.12787	3.5
167.07053	2.0
177.12759	44.6
178.12993	2.0
195.13815	100.0
203.06999	2.1
311.09146	1.6
313.10175	2.2
313.15967	1.8
315.05313	1.9
325.10611	3.6
327.12201	2.4
357.06116	3.7
357.13318	5.2
357.19113	6.3
358.13797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2059
Annotation	Neodactyloquinone
Peak:m/z	Relative Intensity
53.03935	3.1
55.01873	2.0
55.05518	8.9
57.07082	1.7
67.05511	17.6
68.99784	13.5
69.07059	8.6
70.05180	5.9
70.05543	2.1
70.06597	2.8
71.04958	2.5
79.05492	28.5
79.05910	3.1
81.03431	2.6
81.07056	20.2
83.08612	5.0
85.04713	1.4
85.06537	2.7
88.07623	4.8
91.05482	32.1
93.07045	32.0
95.04995	3.1
95.08607	19.4
96.07870	1.6
97.06529	1.5
97.10161	2.0
98.20827	2.1
98.21374	3.3
99.04452	1.8
99.08085	1.9
99.42036	1.6
105.06377	2.9
105.07034	38.4
107.08586	26.3
109.02817	2.4
109.06546	2.7
109.10149	6.6
111.00808	23.1
117.07034	8.6
119.08573	30.0
121.10136	21.1
123.04422	1.7
123.08076	3.2
127.03920	100.0
128.06232	1.8
129.06987	6.6
131.08568	12.5
133.10133	42.0
135.11700	20.9
137.09593	2.8
139.03905	3.9
142.07806	2.0
143.08554	8.6
145.10130	16.5
147.11694	33.2
147.12778	1.3
149.13280	4.9
151.11150	1.6
153.01833	4.2
157.10130	9.2
159.11688	6.4
161.09576	3.1
161.13289	6.0
169.05008	2.6
169.10155	2.8
171.11705	11.4
173.13287	3.6
175.11211	3.5
181.04933	3.3
185.13283	3.5
187.14853	2.9
189.16399	29.4
203.14340	2.7
203.17924	10.4
213.16382	31.2
223.09656	2.0
231.17412	19.5
245.11833	1.7
255.17390	2.2
277.14389	2.3
295.17120	1.7
297.18509	2.7
315.19785	2.1
321.18564	4.0
339.19531	6.2
339.34540	2.7
357.20599	62.6
357.35532	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28553	0.7
52.01896	0.6
53.03942	1.3
56.96556	2.3
57.03430	1.8
61.02926	1.9
65.03931	0.9
69.03426	5.6
70.91381	1.8
73.02911	1.5
73.04761	1.4
75.55139	0.6
79.05499	3.6
81.03420	1.5
85.02903	5.5
87.04473	1.3
91.05379	4.9
94.06593	0.7
97.02905	3.7
98.21107	1.1
98.97581	2.9
103.05441	3.3
105.03410	1.1
105.07033	4.8
107.04971	0.7
109.02905	1.5
116.98631	1.5
117.05769	13.2
119.04854	0.7
120.08113	2.9
120.56326	0.8
122.06025	1.3
123.06784	0.7
127.03910	1.5
130.06526	2.9
131.04968	0.7
131.07310	1.8
132.08098	19.3
133.05235	7.6
134.06061	0.9
136.07539	0.7
137.08412	3.0
138.05498	2.1
138.09183	0.8
145.04967	1.3
147.06807	3.4
148.07576	45.3
150.05524	7.4
150.09171	1.6
151.28764	0.7
153.01836	5.9
160.07579	9.2
164.07097	2.4
166.08646	12.0
168.68253	0.7
174.04433	1.5
176.07077	54.2
177.00728	0.9
177.07492	1.3
186.04443	1.0
194.08138	44.7
204.05478	0.9
208.69849	0.7
230.05246	0.8
237.02737	0.6
286.00943	1.1
333.75616	0.6
338.12479	1.4
356.13400	100.0
357.13702	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
53.49739	3.4
55.05503	16.3
57.03429	6.9
58.53238	3.4
61.02916	5.8
69.03436	22.7
69.63567	26.2
71.04992	11.4
73.06161	6.4
73.06556	100.0
81.03403	16.9
81.07043	3.5
83.04974	15.8
84.04491	11.7
84.39622	3.9
85.02908	40.2
89.06032	72.4
91.07597	3.5
95.08617	7.9
97.02899	36.7
98.21169	13.8
99.04463	4.5
101.06020	17.5
105.03383	4.3
109.02892	13.1
113.02377	21.5
113.03503	12.1
113.09661	4.9
119.07069	16.8
120.08060	4.8
126.05536	4.2
127.03938	24.4
131.10684	16.8
135.06506	20.9
145.04951	15.9
153.01804	28.5
177.05377	3.9
203.16963	3.4
204.08669	4.3
205.04851	4.1
206.05324	12.8
235.78995	3.6
236.06358	9.5
260.06403	4.5
266.26636	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86174	1.5
51.02371	1.8
53.03942	3.5
55.01868	7.5
55.05508	5.4
57.03424	2.3
64.24205	1.4
65.03937	3.1
67.05502	21.6
68.99788	5.0
69.03415	3.3
69.07074	3.1
70.76325	4.7
71.04991	4.0
74.18526	1.4
79.05492	22.8
81.03407	4.6
81.07066	15.4
83.04972	5.0
85.02936	2.4
85.06579	2.1
85.10757	1.9
91.05483	50.3
93.07043	31.7
95.04969	39.5
95.08599	9.0
95.94057	1.7
97.06518	3.6
98.21133	2.2
103.05485	3.6
105.07041	25.7
107.04955	3.8
107.08617	9.0
109.02865	4.4
109.06498	6.5
109.10192	3.0
111.08154	2.1
115.05467	6.4
117.07027	24.6
117.44726	1.6
119.08598	17.7
121.06506	23.6
121.10152	5.8
123.04411	7.0
123.08085	2.7
123.11692	1.7
125.05991	3.0
127.03957	2.1
128.06248	4.8
129.07008	25.0
131.08578	17.7
133.06503	20.9
133.10143	13.4
135.08051	7.8
135.11679	4.8
137.05980	12.3
137.06914	1.8
139.03928	13.2
141.05466	20.0
141.06987	3.8
142.07755	10.4
143.08492	8.1
145.06505	3.3
145.10138	5.3
147.08073	6.4
147.11687	10.3
149.06030	2.0
149.09644	2.7
151.03947	2.4
151.07536	4.7
152.01027	2.8
153.01842	15.1
153.05469	43.1
155.08562	7.0
157.10135	26.2
159.08083	7.9
161.05974	2.7
161.09651	5.2
161.13257	2.3
163.07587	3.3
165.05510	3.4
167.03404	100.0
167.07033	5.0
169.04993	2.0
170.02126	2.0
171.08020	2.8
171.11716	10.0
173.09613	11.4
175.11183	40.2
177.05486	8.4
179.07071	9.4
181.05023	3.9
185.13210	2.2
187.14929	2.4
189.12730	10.4
189.16457	2.5
191.06984	6.1
191.10663	1.8
193.05006	3.4
193.08618	3.5
195.06509	9.2
199.11206	10.3
203.07239	4.4
204.51704	1.7
205.08609	2.2
207.06540	2.7
207.10083	2.3
209.08098	3.9
211.03862	1.9
213.16403	3.1
217.08728	3.9
217.12250	23.5
221.04327	2.6
221.08055	2.1
230.04077	1.8
231.10229	2.6
231.17577	2.8
233.08058	2.8
257.11655	3.3
259.09622	4.2
275.12982	2.4
281.11649	3.4
310.03439	2.0
325.06989	4.5
339.15900	7.3
339.19479	4.3
347.69092	1.9
357.13251	3.8
357.16974	14.4
357.20282	12.7
357.24234	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01869	4.2
55.05512	50.2
57.07077	61.2
67.05509	53.5
69.03458	4.6
69.07067	52.0
70.06583	10.3
71.04979	12.1
71.08620	29.2
71.45711	6.0
71.46061	3.9
72.08141	3.9
73.04759	6.8
73.06554	7.6
76.31190	3.5
79.05497	44.8
79.80698	4.0
80.90876	3.3
81.03417	4.9
81.07065	100.0
83.04993	36.1
83.08624	35.0
85.02892	8.9
85.06546	43.0
87.86649	3.4
88.07616	11.3
91.05453	30.6
93.07047	74.9
95.04951	9.5
95.08048	5.9
95.08614	83.8
97.06528	11.9
97.10195	22.2
99.08092	18.0
100.44833	4.1
105.07028	37.8
107.05014	4.9
107.08604	61.7
108.79028	3.4
109.06506	15.9
109.10170	49.2
109.95006	4.3
111.08046	15.9
111.11710	12.7
115.07545	5.6
117.07008	11.0
119.08580	35.2
121.10143	44.0
123.04401	5.0
123.08076	25.8
123.11720	31.5
124.05244	5.2
125.09592	4.6
127.03928	4.5
127.07549	9.0
128.06255	4.7
131.08571	23.2
133.10118	29.5
135.11688	32.9
136.95065	3.6
137.05977	16.7
137.09602	15.0
137.13263	10.9
139.11124	5.1
143.08478	4.8
145.10118	20.4
147.11691	27.1
149.09628	4.6
149.13269	30.2
151.11194	18.7
151.14838	4.3
153.01849	27.4
153.05461	14.0
153.12726	8.7
157.10127	5.6
159.11748	19.6
161.13228	23.0
163.03822	6.5
163.14816	14.1
165.12802	18.1
167.14442	4.3
171.13805	5.4
173.13319	7.4
175.07590	4.5
175.14790	11.7
177.16373	6.6
179.03421	8.0
179.07024	9.0
179.14337	7.0
181.04953	7.3
185.13361	4.7
187.14821	10.2
189.16360	8.0
191.10757	4.0
192.04088	3.8
201.12750	7.4
201.16357	4.1
203.17958	6.8
205.04961	37.1
205.08643	4.7
215.17923	6.3
217.19527	16.1
221.19029	6.0
227.17909	14.3
229.19522	4.5
231.06638	9.7
231.21107	5.3
235.20575	46.9
245.19023	8.1
249.22197	4.8
263.20081	71.9
283.24173	4.5
291.26877	7.3
299.22235	12.1
301.25281	8.5
313.21616	5.9
319.26309	54.5
334.24149	4.5
337.27359	38.3
355.15237	16.8
355.18884	35.3
355.22662	32.0
355.28336	13.3
355.33585	6.4
356.35263	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62314	1.4
51.23880	1.5
53.03939	1.9
55.05515	18.4
57.06821	2.7
57.07079	32.3
59.04979	4.0
59.52705	1.6
67.05515	25.0
69.03426	4.2
69.07072	27.6
70.62472	2.6
70.62812	3.6
71.05000	7.6
71.08644	2.2
74.63823	1.6
77.03506	1.5
79.05495	21.6
81.03419	9.3
81.07063	100.0
82.07358	1.6
83.04967	4.9
83.08636	15.2
85.02916	3.1
85.06553	28.0
91.05437	12.0
93.07049	44.1
95.04952	4.6
95.08611	67.4
97.02893	2.5
97.06531	6.2
97.10169	6.1
98.21284	2.2
98.40617	1.8
99.04485	2.0
99.08083	4.3
101.06030	1.7
105.07043	26.4
107.08605	45.1
108.51733	1.4
109.06535	12.2
109.10167	43.7
111.08062	3.7
111.11733	2.7
115.07544	2.1
117.07007	4.3
119.08589	20.0
121.06519	3.0
121.10153	30.3
123.04452	1.8
123.08089	9.6
123.11713	34.7
125.09631	2.2
127.03910	2.8
127.07554	6.6
127.11181	3.3
129.06993	1.9
131.08585	9.1
133.10165	14.6
133.82506	1.8
135.08032	4.0
135.11707	26.3
137.05998	4.5
137.09613	4.6
137.13261	24.9
139.11113	1.9
143.08540	2.7
145.10126	8.2
147.08041	1.9
147.11696	13.9
149.09618	5.3
149.13264	31.8
151.07549	13.1
151.11185	8.1
151.14862	2.3
153.05553	1.7
153.09081	3.5
153.12750	3.7
155.14299	2.9
157.10135	6.3
159.08078	2.3
159.11713	14.9
161.09683	2.8
161.13266	12.9
163.11224	3.7
163.14806	5.3
165.12759	6.5
167.10716	5.4
171.11737	2.9
173.13249	6.3
175.07552	2.8
175.11166	2.6
175.14862	4.0
177.12813	4.0
177.16513	2.5
179.14339	4.4
181.12239	6.2
185.13289	2.4
187.14943	1.8
189.16267	2.0
191.10645	3.7
191.14336	2.0
191.17970	3.3
193.12233	5.0
195.13858	3.5
199.14816	3.0
201.12790	2.7
201.16414	6.6
203.17938	4.8
205.19560	4.5
207.08130	1.8
211.13383	2.1
211.20485	2.5
215.18001	8.0
217.19460	4.4
219.17265	2.3
227.17990	3.6
231.20995	1.7
235.20567	5.5
245.19002	2.8
263.20090	11.4
265.05145	2.7
267.15982	2.1
269.08130	2.2
269.12369	1.6
281.21210	3.6
283.06265	3.8
283.24319	7.9
291.26688	3.6
293.07870	2.0
299.08029	1.7
301.25262	13.0
319.23019	1.8
319.26312	42.5
323.09155	1.7
327.12289	2.9
337.27380	9.0
355.11636	6.1
355.22626	7.0
355.26483	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72915	2.2
53.03934	4.6
55.01879	2.9
55.05511	36.1
57.03425	8.5
57.07087	12.9
59.26874	2.4
65.03936	4.9
67.05506	82.2
68.05833	2.4
68.30704	2.3
68.99754	2.5
69.03419	2.8
69.07070	39.9
69.75520	14.5
70.06578	10.9
71.04996	3.2
71.08598	7.7
79.05134	3.1
79.05499	33.4
81.07057	98.4
83.04981	4.3
83.08613	23.9
85.06554	3.3
88.07646	13.2
89.07961	2.9
91.05457	29.8
93.07046	39.0
95.04945	2.7
95.08607	68.7
96.08894	3.8
97.06515	7.7
97.10178	12.7
98.21172	6.5
102.09158	3.8
105.07028	28.0
106.08652	9.2
107.08582	24.5
109.10153	41.7
111.08071	4.6
111.11723	5.5
113.09673	3.0
117.07030	9.9
119.08585	25.8
121.10131	25.7
123.04452	2.6
123.11704	14.0
125.09599	5.2
125.64216	2.3
127.04012	3.2
129.06937	6.4
131.08571	18.4
133.10167	23.2
135.08090	4.3
135.11676	16.5
137.13240	9.5
139.03900	5.5
141.07034	2.3
143.08603	3.0
145.10112	12.1
147.11678	13.8
149.13261	16.0
151.14844	4.8
153.01881	16.2
153.05516	2.6
155.07010	2.7
157.10074	4.5
159.11673	21.7
161.13235	17.4
163.03880	2.6
163.14822	15.1
165.05481	3.3
165.16335	6.5
171.11679	2.7
173.13239	4.9
175.14818	8.2
177.16443	3.3
179.17902	4.3
181.04933	9.6
183.11763	3.6
187.14787	8.5
189.16411	6.5
193.05145	3.3
201.12744	4.3
203.17938	3.0
209.08154	3.4
227.10693	2.6
245.22655	33.9
263.23672	37.3
310.52292	2.3
337.18033	4.1
337.27368	20.6
337.32855	7.2
355.18954	27.8
355.22849	6.3
355.28967	6.3
355.33978	100.0
364.41458	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21336	1.4
53.03950	2.8
55.05516	19.8
56.96550	1.8
57.03428	3.5
57.07077	31.0
59.05003	1.9
61.02916	2.3
65.03917	2.0
67.05176	1.9
67.05509	31.7
69.03421	4.8
69.07072	30.3
69.07436	1.7
69.66945	1.8
69.97588	9.3
71.04990	12.3
71.08622	2.7
77.33915	1.5
79.05489	23.4
81.03430	10.6
81.07058	100.0
83.04977	5.7
83.08626	13.7
85.02905	2.5
85.06064	2.5
85.06548	31.1
91.05444	13.9
93.06467	2.3
93.07050	37.6
95.04960	7.3
95.08607	77.5
97.02884	2.5
97.06529	7.2
97.10179	6.0
98.21131	4.8
99.04420	2.3
99.08090	5.5
101.06038	2.5
105.07027	23.5
107.08594	44.6
109.06526	12.4
109.10162	47.9
110.69835	2.1
111.08096	4.4
111.11685	2.5
115.07545	2.7
117.07064	2.1
119.08588	21.4
121.06514	2.6
121.10136	31.1
123.04428	2.4
123.08068	6.8
123.11713	35.7
127.07554	8.0
127.11199	4.4
129.07066	2.3
131.08565	6.9
133.10156	15.7
135.08032	5.0
135.11676	24.9
137.06009	4.1
137.09630	3.7
137.13257	27.0
139.11185	2.2
141.09117	2.4
141.12750	3.0
143.08609	3.3
145.09103	2.8
145.10104	13.4
147.11662	14.9
149.09619	7.9
149.13257	29.3
151.07574	11.5
151.11165	6.5
151.14816	3.4
153.09058	3.5
153.12744	5.1
155.08522	3.3
155.14340	1.9
157.10138	7.2
159.11682	9.7
161.13286	13.1
163.11172	4.9
163.14819	6.3
165.12770	8.9
167.06972	1.8
167.10681	5.2
168.18530	1.6
171.11656	3.7
173.13306	4.9
175.11195	3.0
175.14799	4.2
177.12631	2.5
177.16396	3.9
179.14323	4.6
181.12245	4.0
191.14284	2.5
191.17999	2.4
193.12219	6.8
195.13800	4.2
199.14836	4.7
201.16443	6.1
203.17921	4.9
205.19510	6.9
213.16519	2.5
215.17941	7.1
217.19577	4.6
219.17500	2.6
224.43332	2.0
227.17839	4.7
235.20607	4.9
245.18938	2.7
251.20169	1.7
263.20013	10.8
265.05212	2.3
281.06897	2.1
281.21484	2.4
283.06235	5.1
283.24164	4.8
291.26718	4.0
295.09714	2.3
301.22046	2.4
301.25262	12.0
319.22830	3.7
319.26337	42.0
323.12833	2.7
337.10941	2.4
337.27286	9.3
355.07700	2.6
355.11700	7.1
355.18854	2.1
355.22687	5.5
355.26459	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.2
55.05515	40.8
57.07080	48.8
59.34828	3.9
67.05506	48.5
69.03435	10.3
69.07076	46.7
71.04987	10.4
71.08644	10.8
73.04714	4.3
73.06563	5.9
75.68331	4.7
79.05498	42.6
81.03427	12.7
81.07063	100.0
82.38062	4.1
83.04993	42.1
83.08614	33.9
85.02917	6.2
85.06552	37.7
88.07633	5.9
91.05424	24.9
93.07050	53.2
95.04982	10.2
95.08618	81.9
95.15450	4.2
95.73938	3.9
97.06538	14.4
97.10172	17.1
98.21271	22.5
99.08119	5.9
105.07043	37.1
106.08688	4.1
107.04932	3.9
107.08603	60.6
109.06535	17.0
109.10166	52.9
110.38705	3.9
111.08086	9.3
111.11758	4.2
115.05497	4.5
117.07043	15.1
117.40121	3.5
117.73531	3.7
119.08585	32.1
121.10136	35.5
123.04459	6.4
123.08104	22.0
123.11714	25.5
124.05253	7.0
125.09663	9.0
127.03967	4.3
127.07564	5.9
129.07013	5.4
131.08588	18.3
133.10144	23.5
135.08035	5.7
135.11699	26.5
137.06003	11.0
137.09581	12.7
137.13257	18.9
139.11208	5.2
143.08603	6.7
145.10161	18.6
147.08029	4.6
147.11742	25.0
149.13307	19.6
151.11215	16.4
153.01840	30.0
153.05489	9.3
153.12721	9.3
157.10176	7.3
159.11720	29.7
161.13309	24.4
163.03882	5.3
163.14862	8.2
165.12784	14.3
167.07155	6.4
171.11713	8.7
171.13719	5.6
173.13304	7.6
175.14874	8.8
177.05573	5.5
177.16447	4.3
179.14383	7.4
181.04994	14.2
187.14850	12.2
191.18071	5.5
192.04237	5.0
193.15985	5.3
197.15407	4.6
203.07155	4.5
203.17973	9.1
205.04971	36.5
213.16319	6.7
215.17975	10.5
217.08643	4.2
217.19545	13.8
227.17964	8.3
231.06537	10.7
235.20593	46.1
245.18985	5.8
249.22241	4.7
263.20065	76.8
271.13345	5.5
291.26743	8.7
299.22226	11.2
301.25354	8.8
319.26367	49.4
320.14526	4.5
337.27353	30.7
355.15286	17.7
355.19089	32.5
355.22455	29.5
355.26434	8.7
356.35324	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	355.1902
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
53.03941	2.0
53.53187	0.9
55.05513	8.5
57.07072	1.3
65.03915	1.2
67.01858	1.3
67.05508	19.8
68.99774	1.5
69.07069	4.3
69.74850	5.7
75.23653	1.1
78.35125	0.9
79.05495	15.7
81.07066	14.4
83.08611	2.0
89.32368	0.9
91.05483	10.8
93.07059	14.0
95.04979	1.8
95.08613	9.4
98.21113	3.6
105.07050	5.9
107.04929	1.1
107.08611	5.4
109.06552	1.2
109.10167	2.1
117.07037	2.5
119.08617	3.1
121.10154	4.3
129.06992	1.2
131.08592	2.1
133.10165	2.7
136.23479	0.9
137.06013	1.2
139.03894	4.6
145.10132	2.7
151.03883	1.0
153.01837	42.0
159.11671	2.4
163.03891	1.1
163.14807	3.2
167.07086	1.4
169.04903	1.1
177.05431	1.5
179.03418	7.9
181.04999	2.5
187.14862	4.1
191.03430	1.3
192.04152	9.8
193.04951	2.3
203.17921	2.2
205.04973	100.0
206.05566	3.2
217.05005	4.0
218.05626	1.9
219.06607	4.1
231.06520	20.4
233.08049	2.1
243.06721	1.1
245.08232	2.5
260.16660	1.0
273.11343	3.1
287.12866	1.8
299.12769	1.9
313.14600	1.7
355.19067	55.8
356.19476	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.53187	0.9
55.05513	8.5
57.07072	1.3
65.03915	1.2
67.01858	1.3
67.05508	19.8
68.99774	1.5
69.07069	4.3
69.74850	5.7
75.23653	1.1
78.35125	0.9
79.05495	15.7
81.07066	14.4
83.08611	2.0
89.32368	0.9
91.05483	10.8
93.07059	14.0
95.04979	1.8
95.08613	9.4
98.21113	3.6
105.07050	5.9
107.04929	1.1
107.08611	5.4
109.06552	1.2
109.10167	2.1
117.07037	2.5
119.08617	3.1
121.10154	4.3
129.06992	1.2
131.08592	2.1
133.10165	2.7
136.23479	0.9
137.06013	1.2
139.03894	4.6
145.10132	2.7
151.03883	1.0
153.01837	42.0
159.11671	2.4
163.03891	1.1
163.14807	3.2
167.07086	1.4
169.04903	1.1
177.05431	1.5
179.03418	7.9
181.04999	2.5
187.14862	4.1
191.03430	1.3
192.04152	9.8
193.04951	2.3
203.17921	2.2
205.04973	100.0
206.05566	3.2
217.05005	4.0
218.05626	1.9
219.06607	4.1
231.06520	20.4
233.08049	2.1
243.06721	1.1
245.08232	2.5
260.16660	1.0
273.11343	3.1
287.12866	1.8
299.12769	1.9
313.14600	1.7
355.19067	55.8
356.19476	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1904
Annotation	Tephrowatsin A
Peak:m/z	Relative Intensity
50.01619	1.9
53.03932	7.5
55.01867	5.1
55.05498	7.3
65.03923	4.4
67.05510	39.6
68.99776	4.7
69.03436	17.3
69.07063	4.8
79.05496	47.1
81.03410	3.3
81.07064	26.0
83.04951	5.0
83.08600	3.2
91.04899	2.3
91.05476	61.6
93.07048	63.3
94.07411	3.4
95.04968	13.8
95.08606	17.5
97.02879	3.0
98.20783	8.1
98.21500	6.0
103.05468	6.6
105.06375	3.2
105.07032	43.0
107.04988	3.6
107.08578	16.7
109.06525	4.1
109.10149	3.2
111.04422	2.7
115.05449	4.9
117.07033	42.0
119.08593	28.6
121.06488	6.4
121.10161	9.7
123.04402	3.7
123.08054	3.6
125.02390	2.7
125.06010	3.0
127.03989	2.6
128.06155	2.4
129.07001	11.7
130.07819	3.7
131.08575	28.3
133.06522	2.9
133.10124	14.7
135.04427	3.8
135.08046	6.4
135.11665	5.9
137.02351	2.1
137.05998	4.1
137.09637	2.7
139.03941	11.3
141.05515	3.4
141.07005	5.8
143.08565	8.1
145.06473	4.4
145.10129	15.1
147.07993	2.8
147.11726	12.6
149.05959	4.1
151.03877	4.8
151.07471	3.3
153.01872	11.5
153.05453	29.1
155.07069	3.4
155.08553	4.9
155.24632	2.1
157.10132	14.9
159.11694	52.7
161.06012	4.2
161.13300	13.3
163.03908	3.8
163.07516	4.3
165.01865	9.8
165.05479	24.1
167.03386	6.0
167.07030	17.3
171.11714	5.5
173.13249	11.1
175.14793	3.6
177.05519	13.0
179.03401	51.7
179.07028	11.2
181.04959	32.3
181.08475	2.3
183.02899	6.7
183.06479	2.0
183.11658	10.9
185.13271	7.6
187.07405	2.5
187.14798	4.1
189.05473	8.7
189.09111	2.3
191.03381	4.5
191.07045	15.4
193.04955	9.6
193.08611	5.8
195.06548	3.3
201.12717	14.1
203.07025	5.9
205.04924	13.5
205.08591	6.4
207.06554	10.1
209.08038	4.2
213.16505	2.4
215.07245	3.8
217.05035	2.5
217.08638	11.3
219.06520	3.4
219.10103	5.9
221.07976	3.1
229.08606	7.4
231.06537	6.5
231.10162	5.5
235.09708	3.6
241.08665	2.9
243.06496	4.9
243.10222	5.6
247.95241	2.2
249.11418	2.3
253.08507	2.6
257.11716	4.3
271.13251	5.7
275.12823	6.9
283.13712	2.9
289.13950	2.4
289.44824	2.2
337.17987	34.3
355.18994	100.0
356.19086	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	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.03929	0.7
55.24172	0.6
64.05059	0.6
69.03423	1.1
69.98582	2.5
73.04752	2.1
79.05499	1.3
81.03398	0.8
83.04983	1.4
85.02894	1.1
86.65131	0.6
89.03924	7.6
91.05815	5.7
97.02921	0.7
107.04946	1.9
110.06042	0.9
117.03378	10.2
122.78019	0.7
129.66010	0.7
133.06480	0.7
135.04424	18.0
135.61992	0.7
145.02859	11.5
145.03969	1.0
147.04430	1.5
147.06190	0.7
153.01849	1.0
163.03909	100.0
164.04242	1.0
171.44662	0.5
173.17148	0.6
174.05574	1.5
175.05820	2.6
178.48470	0.7
193.04924	1.3
193.06822	1.1
205.05032	0.8
211.10741	0.8
236.69197	0.6
245.21034	0.6
268.97766	1.7
285.00998	2.6
355.07010	2.5
355.11588	1.5
377.57343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	2.5
55.05513	6.4
55.35726	1.0
64.85764	0.9
65.03918	2.2
67.01852	1.7
67.05206	1.2
67.05509	11.6
68.99783	2.6
69.03425	3.3
69.07053	3.1
70.02871	4.3
77.03908	1.1
79.05498	13.9
81.03413	4.0
81.07056	15.7
83.01319	1.3
83.04950	1.5
83.08619	1.6
91.05479	33.1
93.07045	13.9
95.04971	5.2
95.08597	7.6
97.02872	1.5
97.06506	2.0
98.20924	2.1
98.21441	1.2
103.05448	2.9
105.07032	46.7
107.04935	2.1
107.08594	7.6
109.06522	2.4
109.10162	2.8
111.00790	2.6
111.04434	2.1
115.05499	1.4
117.07015	13.8
119.04953	1.0
119.08582	23.0
121.06458	1.6
121.10123	3.0
123.04448	2.7
125.02372	1.4
127.03922	10.0
128.06232	2.2
129.07021	8.6
130.07796	1.5
131.08574	35.0
133.10129	15.6
135.08090	1.4
135.11710	1.1
137.05972	4.4
139.03911	38.8
141.06979	2.5
143.08565	10.7
145.10126	47.6
147.11707	10.2
151.07573	1.6
153.01833	100.0
153.05376	5.0
154.02188	1.2
155.03360	3.7
155.08556	4.4
157.10120	4.6
159.08076	1.1
159.11694	8.4
161.05901	1.5
161.09679	1.3
161.13284	1.4
163.03911	4.3
163.11179	1.3
165.01833	1.2
165.05499	7.9
167.03416	2.0
167.06969	2.0
169.10130	3.4
171.02956	2.2
171.11723	2.2
173.09651	1.6
173.13260	3.6
177.05476	2.4
179.07045	1.7
181.04956	6.7
183.11678	4.1
185.13249	9.0
187.14825	38.4
191.07031	4.2
193.05057	1.2
193.08644	1.5
195.06566	3.5
201.12688	1.5
201.16371	4.1
203.07014	3.7
205.08592	2.2
211.14816	14.9
213.92105	1.0
215.17842	1.1
217.08647	1.7
219.10088	1.5
229.08623	1.5
229.15869	17.6
234.13045	1.2
285.10165	1.8
313.48831	1.3
337.18039	10.9
355.14529	1.9
355.18976	37.5
355.22729	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	355.1904
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
53.03939	2.2
55.01863	1.3
55.05517	10.9
57.07081	3.3
65.03931	1.7
66.00734	0.6
67.01865	1.7
67.05511	22.1
67.05870	1.4
68.99795	2.7
69.03427	1.7
69.07075	5.2
71.08641	1.6
71.49171	1.1
79.05058	1.0
79.05499	19.3
81.07057	21.2
83.04968	1.8
83.08608	2.7
85.06529	1.9
91.05490	10.1
93.07050	17.5
95.04964	1.4
95.08614	16.0
97.02939	0.8
97.10154	0.8
99.08138	0.6
105.03394	1.0
105.07052	7.7
107.04930	0.7
107.08606	10.6
109.06523	1.4
109.10164	5.8
111.00798	1.3
115.05431	0.7
117.07030	4.4
119.08584	4.8
121.06507	1.0
121.10150	8.9
123.04412	1.4
123.08044	1.0
123.11697	2.0
127.03893	1.9
129.06955	1.1
131.08582	7.1
133.06503	0.9
133.10153	4.5
135.11673	1.7
137.05983	1.3
139.03914	7.5
145.10124	5.3
147.08069	0.7
147.09781	0.6
147.11682	2.8
148.64616	0.6
149.02457	0.7
149.13359	0.9
151.03944	1.5
153.01837	83.4
153.05331	1.5
154.02165	0.8
155.03400	1.0
155.08542	0.9
157.10033	0.6
158.23822	0.6
159.11732	3.5
161.05981	0.7
161.13274	1.7
163.03909	3.8
163.14836	5.0
165.05478	0.8
165.12793	0.7
169.04990	1.1
171.02971	2.8
171.21478	0.6
177.05501	2.2
179.03423	8.1
181.04945	1.7
181.77139	0.7
185.13338	1.4
187.14835	16.4
189.05560	1.4
191.03435	1.2
192.04187	11.5
193.04913	2.2
200.04753	0.9
201.16447	1.6
203.07054	2.4
203.17969	6.3
205.04973	100.0
206.05554	2.8
211.14867	1.2
213.05525	1.9
215.07062	1.4
217.04939	4.2
217.08440	0.9
218.05714	2.2
219.04640	0.5
219.06543	9.6
227.18066	0.7
229.05075	1.0
229.08588	0.8
229.15884	1.6
231.06537	22.4
231.10063	1.3
233.08186	3.2
235.20596	0.8
243.06432	1.0
243.10069	1.1
244.60617	0.6
245.08119	2.5
247.09482	0.9
257.08145	1.6
259.09723	1.2
261.11230	1.0
263.20120	1.9
271.09729	0.6
273.11188	2.1
275.12820	0.6
281.21255	0.6
285.11270	0.8
287.12897	1.0
299.12891	3.2
299.22314	0.7
313.14276	1.7
313.17755	0.9
319.26318	1.6
337.17999	5.4
355.19049	90.1
356.19397	2.4
377.91211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11683	3.6
55.05509	19.0
57.07079	17.8
59.04985	3.0
59.26101	3.3
67.05511	26.0
69.03418	4.8
69.07064	22.3
69.43829	27.2
71.04988	17.5
79.05494	14.7
81.07060	100.0
83.04977	35.1
83.08640	6.1
85.06541	13.4
91.05482	14.3
93.07047	43.3
95.04969	4.6
95.08046	6.0
95.08610	79.9
97.06530	7.8
98.20776	7.4
98.21432	6.8
99.04483	6.2
105.07024	28.7
107.04920	4.8
107.08598	41.5
109.06532	11.2
109.10156	34.2
111.08073	6.3
117.07069	3.9
119.08582	19.7
121.06541	5.2
121.10153	31.9
123.08065	11.5
123.11723	26.0
125.09631	5.3
127.07586	6.6
127.11240	5.6
129.06979	4.1
131.08574	8.6
133.10149	21.3
135.08057	6.6
135.11705	32.8
137.09624	9.6
137.13258	43.9
145.10088	15.6
147.11703	20.2
149.09656	4.4
149.13251	14.9
151.11186	27.1
153.12723	8.1
155.10696	3.7
157.10129	4.8
159.11705	26.5
161.13274	8.8
163.11168	8.9
165.12759	11.6
171.11705	3.6
173.13239	6.3
175.11214	7.8
177.12726	9.6
179.10667	13.3
181.12263	3.8
183.13875	5.9
185.13222	3.5
189.12653	5.1
191.17963	3.9
194.97371	3.4
195.13869	4.9
199.14783	4.3
201.14806	3.4
201.16481	5.5
203.18034	4.7
213.16397	9.2
215.17992	10.6
225.16457	4.9
229.19547	8.1
231.17488	6.0
233.19067	6.4
237.18565	6.6
243.17480	5.4
245.13913	4.7
247.20599	13.9
249.18594	10.3
261.18448	8.8
266.38632	3.7
279.19434	3.7
289.25287	5.2
299.23718	22.4
305.64404	3.6
317.24716	48.5
335.25833	53.5
350.60468	3.6
353.13876	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	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03940	0.3
55.01867	0.3
56.38092	0.3
57.03432	0.6
61.02919	0.9
69.03439	2.0
69.24805	2.6
71.04966	0.3
73.02885	0.3
81.03403	0.9
85.02425	0.3
85.02911	4.8
91.05438	0.2
97.02878	1.5
98.21238	1.4
99.04448	0.3
103.04222	0.5
108.04475	0.5
109.02905	0.5
127.03920	0.8
127.35705	0.2
132.04469	0.6
139.95978	0.2
141.28476	0.3
145.04930	0.5
146.06062	1.2
177.04224	24.7
178.04539	0.6
192.06564	100.0
193.06874	1.6
290.21475	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	354.1182
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03934	0.4
57.03442	0.5
61.02908	0.8
67.05492	0.7
68.91831	0.3
69.03425	2.0
69.07053	1.4
70.71614	0.7
70.71937	0.5
71.04983	0.7
73.02908	0.7
73.06541	0.5
73.35337	0.3
77.03938	0.4
81.03410	1.0
85.02476	0.4
85.02909	3.4
87.04466	0.6
88.54607	0.4
91.05463	2.9
94.06573	4.6
95.04979	0.6
97.02879	1.6
97.06509	0.6
98.21275	0.5
99.04443	0.5
103.05907	0.3
105.03385	0.5
109.02897	0.6
115.07568	5.9
117.05775	0.9
117.63336	0.3
118.06541	7.2
122.06032	5.4
124.07547	0.4
127.03910	1.3
134.06013	0.7
136.07523	0.5
137.89542	0.4
145.05031	0.8
146.06017	14.9
147.06776	0.6
148.07497	0.4
150.05498	1.3
157.08595	1.3
161.05771	0.4
162.05528	1.4
164.07072	7.4
168.63542	0.4
174.05508	100.0
175.06009	1.7
175.09688	2.6
176.07086	1.1
191.08179	1.5
192.06566	53.1
214.17601	0.3
264.88596	0.3
336.10867	1.0
354.11829	43.7
355.07788	0.5
355.12183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.03950	4.0
55.01874	2.3
55.05507	15.8
56.16211	1.4
56.62422	1.5
57.03431	3.8
57.07064	4.2
60.00772	1.5
61.43811	1.5
65.03939	3.2
67.05505	87.3
69.00883	1.6
69.03417	1.6
69.07065	15.6
69.66791	6.9
71.05006	2.8
71.08633	9.1
79.05493	48.6
81.07056	100.0
83.04945	2.1
83.08645	7.2
84.33083	1.4
85.06538	3.2
85.85561	1.5
91.04961	2.1
91.05483	25.3
93.07044	56.0
95.04967	5.7
95.08606	63.5
97.06529	5.2
97.10172	4.0
98.20923	2.3
99.08084	6.0
105.07035	22.4
107.04964	1.6
107.08592	44.2
109.06487	4.1
109.10159	38.0
109.10917	1.9
111.08091	2.1
111.11733	1.7
112.32482	1.5
113.09676	1.6
115.01051	1.4
117.07048	9.4
117.63220	1.4
119.08585	20.8
121.10136	33.5
123.08042	2.0
123.11709	21.1
129.07013	3.0
130.07832	1.4
131.08563	23.5
133.10139	15.8
135.11691	29.6
137.13271	8.1
143.03728	1.4
143.08553	2.4
145.10124	15.7
147.11699	13.1
149.13272	19.0
151.14796	2.1
153.05457	12.2
153.12740	2.0
155.07063	2.8
157.10132	6.4
159.11693	15.5
161.13235	9.8
163.14803	12.4
165.12744	5.5
167.07059	2.3
171.11673	4.2
173.13264	17.7
175.14830	4.1
177.05473	2.6
177.12671	1.5
177.16394	4.7
179.14412	2.5
181.04987	12.2
182.05319	8.1
183.05469	8.3
185.13251	3.7
187.14763	13.1
189.16365	2.3
191.14290	1.8
201.16507	3.2
205.08582	3.6
213.16383	5.5
217.08606	3.1
231.10243	3.0
233.11688	1.6
233.22646	2.7
235.16780	1.6
243.21089	21.9
261.22141	89.4
262.22357	3.1
263.23734	1.6
268.99771	1.5
279.23270	3.6
291.23145	12.5
309.24225	1.8
317.24722	1.7
335.16745	2.3
335.21646	2.3
335.25760	6.5
353.17361	3.0
353.21182	14.4
353.26813	48.3
354.33475	1.9
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
54.26214	3.7
55.05508	18.8
57.03391	4.4
57.07074	25.3
65.56780	3.5
67.05505	27.9
69.03406	11.4
69.07053	24.1
71.04990	16.9
71.58121	6.6
79.05493	27.4
81.03407	10.6
81.07059	100.0
83.04987	39.1
83.08607	7.1
85.06535	18.9
91.05492	21.8
93.07040	45.3
95.04993	7.0
95.08612	83.2
97.02879	4.3
97.06515	11.9
99.04473	6.6
105.07044	35.1
107.04939	5.8
107.08596	47.7
108.22018	3.6
109.02859	7.5
109.06512	15.1
109.10159	46.6
111.08073	10.0
119.08592	24.0
121.06472	8.8
121.10130	33.0
123.08045	17.7
123.11691	21.7
125.06004	4.6
125.09621	5.9
127.07561	5.2
129.07007	8.1
131.08588	11.0
133.10104	24.9
135.08066	11.2
135.11693	36.9
137.09601	10.7
137.13263	29.4
139.07539	6.4
143.08519	5.7
145.10143	21.6
147.11670	18.3
149.09581	17.6
149.13261	8.4
151.07535	5.3
151.11238	25.5
153.05417	7.0
153.12726	8.7
155.07011	10.9
157.10115	14.9
159.11684	22.1
161.13268	12.9
163.11200	16.0
165.12747	9.4
167.07074	5.8
167.10681	5.1
169.10051	6.4
173.13268	8.1
175.11118	4.8
175.14856	4.9
177.12740	12.0
179.10661	16.5
181.04951	36.1
185.13239	4.1
191.07069	4.8
191.10680	6.4
195.13628	5.6
199.14828	5.2
201.16356	6.8
203.17957	10.9
211.14758	4.0
213.16376	10.2
215.17860	9.9
233.18983	7.6
247.20581	8.2
249.18521	9.1
261.09210	4.5
261.18420	13.7
299.23764	12.5
317.24747	48.9
335.25726	43.5
336.26001	5.3
353.06613	9.0
353.13724	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52267	4.2
53.40477	3.8
55.05514	21.3
57.07076	23.9
58.29386	3.7
65.03948	6.5
67.05196	5.0
67.05507	39.3
69.03428	13.0
69.07076	30.0
70.07413	3.8
71.04993	18.4
71.56492	8.2
73.35448	3.8
79.05509	24.8
81.03429	24.1
81.07065	100.0
81.64964	3.7
83.04990	33.6
83.08608	15.0
85.02908	7.6
85.06530	18.0
91.05489	19.9
92.07152	4.7
93.07054	52.8
95.04960	13.1
95.08044	6.3
95.08617	89.1
97.02915	6.9
97.06527	12.9
97.10178	9.8
98.21052	5.0
99.04458	7.9
105.03385	4.1
105.07034	50.6
107.08599	67.2
109.02889	8.3
109.06533	18.7
109.10159	47.9
111.08078	9.5
117.07024	8.9
119.08585	35.6
119.90790	4.4
121.06494	13.9
121.10155	43.0
123.08057	17.1
123.11705	37.6
125.07394	3.9
127.03924	7.2
127.07583	8.5
127.11148	6.2
129.07045	5.9
131.08546	18.1
133.10127	33.9
135.08067	9.6
135.11707	36.5
137.09628	11.6
137.13283	30.7
141.05452	4.4
143.08560	9.1
145.10153	25.6
147.11699	17.9
149.09636	10.0
149.13257	13.6
151.07533	11.5
151.11218	29.0
153.09087	4.7
153.12767	10.7
155.08408	4.5
157.10152	15.2
159.11713	23.3
161.09647	8.3
161.13248	10.4
163.11180	16.9
165.09041	4.8
165.12752	12.8
167.07036	7.0
167.10725	6.8
169.10104	7.0
171.11670	5.4
173.09636	5.5
173.13318	7.8
175.14882	7.7
177.12810	7.6
179.10687	9.9
181.05005	5.1
182.13957	4.4
183.11688	5.2
185.13278	4.9
189.16467	5.8
191.06865	3.9
191.10686	13.1
195.13774	6.8
201.16367	7.6
203.17877	10.1
207.11819	4.6
207.13849	8.3
213.16365	6.0
217.44150	4.5
225.12540	4.3
225.16418	5.6
229.19495	5.5
233.19075	9.0
243.17514	4.9
247.20580	8.4
249.18625	6.0
261.09171	5.2
261.18570	10.0
263.06931	4.6
293.11575	5.8
299.23666	14.1
317.24738	40.0
321.11313	12.5
335.22177	4.6
335.25815	41.6
353.10059	14.9
353.14096	18.6
353.24487	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	353.1958
Annotation	Pulicanadiene A
Peak:m/z	Relative Intensity
55.01874	2.3
55.05512	10.7
57.07062	2.3
60.25880	1.0
61.02909	3.3
61.76851	1.0
67.05496	13.4
69.07067	31.2
71.05029	1.1
79.05489	11.4
81.07053	22.8
83.01291	1.7
83.04961	4.3
83.08604	1.8
85.06516	1.5
87.26022	1.2
91.05470	4.8
93.07038	19.7
95.04977	2.5
95.08600	12.8
96.75316	1.1
97.06535	6.9
97.10178	8.0
98.21122	8.4
105.07018	5.0
107.04942	2.2
107.08583	3.2
109.06512	3.7
109.10157	2.6
111.04414	1.7
111.11740	5.6
116.73592	1.3
119.08569	2.7
121.09309	1.7
121.10150	21.7
121.10996	1.5
126.72512	1.5
128.06204	1.3
129.07008	3.2
131.08586	2.9
135.04480	1.6
135.11720	1.8
137.05971	18.9
139.11179	52.9
142.07846	1.7
143.08609	2.6
145.10190	3.3
147.11658	1.3
151.07530	1.6
153.05499	1.1
155.07031	100.0
157.10124	3.7
157.12234	82.5
159.11668	1.5
160.51805	1.2
163.07518	1.8
167.07048	8.6
181.04958	93.1
182.05309	1.4
185.13203	1.5
191.07024	3.1
193.08617	1.4
198.14993	1.4
217.14334	6.7
231.10089	1.7
270.45389	1.2
293.17395	5.0
353.17221	1.5
353.21036	2.2
353.24832	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	2.2
55.01877	0.9
55.05514	14.4
56.57269	0.9
57.03440	6.7
57.07075	4.7
57.11222	0.9
65.03928	3.7
67.05506	93.6
68.72490	0.9
69.07070	13.1
71.04990	2.1
71.08639	1.5
75.04476	1.3
77.03942	1.1
79.05494	43.7
79.05959	2.3
81.07057	100.0
83.04974	1.6
83.08630	8.1
85.06535	3.3
91.04952	1.8
91.05477	19.7
93.07043	53.0
95.04971	2.3
95.08607	73.9
97.06510	2.7
97.10159	4.0
98.20686	2.2
99.08087	1.6
105.07029	14.6
107.08596	34.2
109.06480	1.8
109.10156	37.7
111.08056	2.1
113.09663	1.4
117.07011	9.5
119.08581	13.9
119.95486	0.8
121.10146	29.9
123.08069	1.8
123.11724	21.5
125.09597	1.1
131.08565	17.8
133.10146	12.8
135.11690	28.8
137.09633	1.5
137.13277	7.8
139.11150	1.4
143.08575	0.9
145.10138	15.4
147.11688	12.0
149.13257	19.7
151.11154	1.1
151.14804	2.5
153.12758	1.7
159.11697	12.4
161.13280	9.3
163.14851	13.9
165.12685	1.2
173.13272	14.5
175.14851	3.6
177.16397	4.3
179.14317	1.1
181.05028	1.5
187.14815	9.1
189.16449	1.3
201.16357	3.6
205.15810	1.5
215.17903	1.1
233.22644	3.9
243.21068	20.3
261.22137	85.8
262.22449	3.5
263.23645	2.5
279.23175	5.9
317.24619	1.7
335.25845	10.6
353.17368	1.9
353.26871	25.1
354.26883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05511	19.0
57.03430	5.0
57.07072	5.8
65.03963	3.5
67.05507	90.6
69.07070	15.2
69.85429	9.0
71.04987	2.9
73.12159	1.5
75.04443	1.8
77.03933	1.6
79.05498	45.7
81.07061	92.7
82.07367	1.7
83.04995	2.9
83.08623	5.5
85.06532	3.7
89.31256	1.3
91.05489	24.3
91.06020	2.9
91.27183	1.6
93.07049	61.1
95.04982	3.7
95.08610	73.9
97.06513	3.6
97.10178	3.8
98.20767	2.9
98.21381	3.1
99.08087	3.0
100.95148	1.5
105.07043	20.2
107.08604	40.5
109.10162	36.1
111.08013	1.4
115.05334	1.8
115.80723	1.9
117.07031	9.8
117.07746	1.4
119.08582	14.9
121.10157	32.6
123.08150	2.1
123.11710	18.2
131.08578	20.9
133.10130	14.7
135.11707	28.9
137.09613	2.8
137.13239	5.9
145.10153	15.7
147.11723	10.6
149.13261	23.7
151.14874	2.2
153.12735	1.6
157.10168	2.3
159.11682	17.0
161.13246	10.1
163.14838	12.2
173.13245	15.6
174.91927	1.6
175.14886	3.1
177.12657	1.6
177.16370	3.5
187.14809	11.3
201.16389	4.2
205.15791	2.0
218.45985	1.5
233.22644	3.6
243.21112	20.6
261.22165	100.0
262.22552	2.9
279.23065	4.3
281.10907	2.4
335.25778	7.0
353.27036	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.3
55.01876	1.4
55.05512	14.4
56.12692	1.0
56.36906	0.9
57.03443	5.3
57.07067	3.6
63.80000	1.1
65.03939	3.4
67.05505	93.9
69.07070	14.4
69.35620	3.2
69.36045	6.7
71.04990	2.6
79.05495	36.6
81.07056	100.0
83.04994	2.4
83.08612	7.7
85.06544	2.1
91.05479	22.2
93.07047	56.5
95.04971	2.6
95.08607	70.2
97.06543	2.0
97.10181	2.9
98.20816	3.1
98.21503	2.4
99.08088	1.2
103.89593	1.0
104.37495	1.1
105.07031	16.1
107.08594	37.1
109.06510	2.2
109.10159	37.2
111.08085	1.7
113.09635	1.9
117.07023	10.0
119.08568	15.1
121.10139	31.2
123.08055	1.9
123.11708	23.1
123.12574	1.8
125.09658	1.1
129.06967	1.1
131.08563	22.9
133.10130	12.0
135.11691	27.2
137.09642	2.4
137.13243	6.0
139.11151	1.5
145.10110	17.2
147.11699	7.8
149.09644	1.8
149.13254	19.6
151.11176	1.8
151.14812	3.3
153.12683	1.2
159.11697	14.9
161.13254	9.5
163.11279	1.2
163.14822	11.6
165.12753	2.7
173.13251	13.0
175.14786	2.4
177.16434	4.2
179.14360	2.0
187.14824	7.9
189.16312	1.4
191.14360	1.0
201.16330	2.9
205.15837	1.8
233.22621	4.8
235.16730	1.1
243.18721	0.7
243.21075	22.4
261.22144	90.8
262.22598	3.0
263.23810	1.3
267.22217	1.2
279.23090	6.9
299.60666	1.0
335.25723	12.0
353.17371	2.1
353.26825	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1748
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
51.19209	0.4
53.03926	1.6
55.05492	2.0
57.07066	0.8
65.03915	1.3
67.01853	1.1
67.05513	9.1
68.99780	1.5
69.07044	1.7
69.98108	2.4
79.01868	0.5
79.05060	0.6
79.05494	11.4
81.07059	13.4
88.22353	0.4
91.05486	17.2
93.06473	0.6
93.07043	9.9
95.04953	1.6
95.08611	5.3
97.02890	0.6
98.21060	1.1
103.05481	1.0
105.03371	1.3
105.04508	0.6
105.07035	10.6
107.08602	3.4
109.06492	0.6
109.10160	1.6
111.00819	0.6
117.07056	2.4
119.08580	12.0
119.53118	0.5
121.10150	1.3
123.04417	0.8
128.06200	0.8
129.06990	1.4
131.08617	3.0
132.34946	0.5
133.06410	0.6
133.10132	4.8
135.04457	0.6
135.11678	2.2
137.05989	0.6
139.03871	3.4
143.08566	2.1
145.10124	1.9
149.06033	0.6
151.03964	0.6
153.01834	35.8
157.10123	1.0
159.04343	0.6
159.11694	1.8
161.13260	13.8
163.03876	2.2
169.04968	0.6
171.02896	1.0
177.05489	0.8
179.03416	5.7
181.04976	0.6
185.13292	7.8
189.05428	1.0
191.03407	0.5
192.04207	6.3
193.04926	1.4
199.14839	1.0
201.16386	3.5
203.07033	1.6
205.04971	100.0
206.05534	2.4
213.05513	1.5
216.04163	0.7
217.04985	4.7
218.05774	1.5
219.06514	5.1
227.14357	1.2
229.04967	1.2
231.06514	20.1
233.07722	0.4
236.76483	0.5
243.06482	0.7
245.08063	4.6
257.08011	2.0
259.09702	1.5
273.11212	1.9
274.00287	0.5
287.12814	0.7
311.13010	0.7
311.16574	0.7
335.16547	1.6
353.17477	22.5
353.24240	0.9
354.17941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68462	5.9
55.05518	14.4
66.06400	5.5
67.05496	10.4
69.03420	31.6
71.04967	9.4
71.14711	8.5
73.06558	100.0
79.05486	14.7
81.03404	18.1
81.07043	8.3
83.04973	14.8
85.02905	32.0
85.06514	6.3
89.26129	5.6
91.05464	13.6
93.07037	14.8
95.04979	14.8
95.08617	10.1
97.02882	21.2
97.06517	8.0
98.20969	8.4
100.18537	6.5
101.06002	18.9
105.06989	15.0
107.04958	14.8
107.08582	13.9
107.09261	9.1
109.02866	22.0
109.06504	7.0
111.04433	12.6
117.07014	6.2
119.08562	9.0
121.06507	8.3
127.03898	19.4
127.76180	6.8
130.06551	28.7
131.08508	13.9
133.06549	8.6
134.05994	13.9
136.07610	10.0
137.02327	29.0
137.05942	12.7
145.10088	14.6
149.09599	18.3
150.05507	25.4
151.07523	8.3
152.07042	16.4
163.04115	6.2
163.08662	14.5
163.11212	7.8
167.07057	9.2
173.09526	5.8
191.07037	15.1
191.10722	15.4
192.04109	12.9
207.06448	42.8
225.08710	10.7
227.10464	6.4
261.09131	13.7
275.11517	6.6
281.12894	11.1
289.03394	8.3
292.14267	7.6
317.02844	7.9
321.11069	7.3
335.04037	9.5
342.63596	6.7
347.55127	6.6
353.05408	31.1
353.12704	36.0
354.14590	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	353.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33134	8.9
55.05503	26.3
65.24519	8.9
65.71562	8.7
66.92044	8.8
67.05505	19.3
67.44309	10.3
69.03439	46.7
70.86283	11.9
70.86621	21.1
71.04980	14.4
73.06561	100.0
79.05495	11.2
81.03414	26.2
81.07043	22.0
83.04987	21.3
85.02902	52.2
91.05489	20.2
93.07037	19.7
95.04945	22.6
97.02901	26.2
97.06532	11.7
98.21076	15.4
101.06010	17.7
103.05466	10.3
105.07068	22.7
107.04967	14.5
107.08598	25.9
109.02862	25.6
111.04447	20.2
117.07001	12.8
119.08601	20.8
121.06533	18.5
121.10140	14.8
123.07961	15.8
127.03932	26.8
129.05473	19.7
129.07004	13.3
130.06526	55.0
131.08604	26.9
133.10106	13.6
134.06081	13.6
136.07584	18.2
137.02315	39.7
137.06000	16.5
145.04970	11.0
145.10225	12.6
147.04443	13.8
147.08211	9.2
149.09572	22.8
150.05510	38.9
152.07060	40.9
155.14322	10.1
162.81343	10.1
163.08656	25.9
163.11168	13.3
167.07082	24.2
173.09601	13.5
191.06998	30.2
192.04259	25.5
207.06458	44.0
207.10292	10.7
209.11752	15.2
216.42314	9.0
219.02774	9.8
225.08749	18.6
248.55286	10.5
249.10423	10.4
275.12021	12.3
292.14362	12.3
307.09763	11.0
310.15375	13.1
317.02982	15.5
321.11240	12.7
335.03818	11.5
353.05048	50.1
353.13321	61.0
354.14435	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01876	2.4
55.05512	22.3
57.03438	11.9
57.07070	5.5
67.05505	67.0
69.07068	20.9
70.74943	2.4
70.75266	3.4
71.04996	6.3
71.08619	7.9
75.04469	2.1
79.05492	83.7
81.03414	3.4
81.07056	67.9
83.04984	3.9
83.08624	13.1
85.06558	3.2
91.04901	2.1
91.05047	1.2
91.05479	61.1
93.07047	100.0
95.04966	14.4
95.07984	2.5
95.08604	54.2
97.06530	6.3
99.08107	6.4
105.07030	68.9
107.04959	3.8
107.08594	67.5
109.06548	2.7
109.10156	17.1
111.08130	2.1
117.07018	16.2
119.08583	63.3
121.10143	51.0
121.11033	3.1
123.08092	3.5
123.11739	5.3
125.09610	3.2
127.03905	7.2
128.06270	3.0
129.07034	6.3
131.08582	25.8
133.10133	55.5
135.08104	2.4
135.11705	47.5
137.09703	2.8
143.08540	9.5
145.10129	23.5
147.11684	53.6
149.09645	4.6
149.13264	28.7
151.11211	5.2
153.01859	9.1
157.10159	12.1
159.11720	19.9
161.09688	4.5
161.13251	39.3
163.11224	5.7
163.14868	11.0
170.10666	2.0
171.11732	16.4
173.13280	13.6
175.11279	3.4
175.14832	23.3
177.12608	2.4
179.14346	16.4
185.13268	16.5
189.12790	7.8
199.14926	6.6
203.14235	3.1
207.13821	3.5
213.16449	4.5
217.19586	7.3
231.17560	3.9
231.20995	11.7
235.17067	2.3
241.19505	41.3
259.20581	91.9
260.20810	3.8
277.21609	22.4
333.24313	9.4
351.25354	69.1
352.25632	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.1
55.05508	2.0
57.00597	0.9
61.02953	0.9
69.03438	3.0
69.70339	1.0
71.04994	1.2
71.56676	1.6
72.04520	100.0
73.06553	11.8
74.06889	1.7
74.45214	1.2
81.03431	2.0
83.04980	2.2
85.02921	5.5
86.09721	1.0
90.05566	3.2
97.02885	4.1
109.02859	1.9
120.08134	1.0
127.03945	3.4
145.05000	2.3
156.06528	1.1
162.05501	1.1
172.07594	3.4
179.80708	1.2
185.07062	1.5
190.08623	4.7
191.08177	2.7
198.07640	2.9
205.04628	1.1
234.09828	2.3
352.20920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	0.7
55.05518	2.7
56.36935	0.3
57.07049	1.1
65.03925	1.6
67.01866	0.8
67.05173	0.7
67.05507	10.2
68.99789	1.4
69.03423	0.6
69.07047	1.4
71.57978	0.4
79.01846	0.6
79.05068	0.6
79.05498	10.7
79.78045	0.4
81.03407	0.7
81.07059	14.2
83.04979	0.7
83.08601	0.9
91.05481	17.4
93.07043	10.5
95.04966	2.0
95.08601	4.8
97.02873	0.7
97.19816	0.4
103.05465	0.5
105.03364	0.8
105.04492	0.6
105.07033	12.2
107.08607	3.4
109.02877	0.4
109.10127	1.4
111.00766	0.6
111.04407	0.6
115.05439	0.7
117.07045	2.1
119.07785	0.8
119.08583	10.4
121.10165	1.5
123.04430	1.0
128.06209	0.4
129.06969	1.6
131.08568	3.7
133.06490	0.9
133.10120	3.4
135.11688	2.8
137.02409	0.5
137.05954	0.7
139.03903	2.3
141.07013	0.4
143.08554	2.1
143.63750	0.4
145.10095	2.4
147.04333	0.4
149.13242	0.5
151.03983	0.5
151.80780	0.4
153.01831	37.1
155.07036	0.7
155.08575	0.5
157.10129	1.8
159.11705	2.1
161.05945	0.6
161.13261	13.7
163.03920	2.1
165.01883	0.6
165.05429	0.7
167.07060	0.7
168.31342	0.4
169.10059	0.8
171.02884	1.2
171.11668	0.5
175.14742	0.4
177.05464	1.0
179.03412	6.1
181.05025	2.8
185.09573	0.4
185.13255	7.3
189.05505	1.8
191.03401	1.0
191.07068	0.6
192.04182	5.5
193.04993	1.3
199.14815	0.8
201.16331	2.9
203.07022	2.0
205.04967	100.0
206.05635	3.1
209.13306	0.6
213.05443	1.3
217.04997	3.5
217.08607	0.4
218.05705	1.2
219.06537	5.3
227.14348	1.1
229.04988	0.6
231.06520	21.1
233.08049	0.5
243.06447	0.6
245.08142	5.0
257.08063	2.1
259.09714	1.2
271.09528	0.8
273.11255	2.5
285.11276	0.6
287.12839	0.9
295.53296	0.4
311.12924	0.9
311.16357	0.9
317.73914	0.4
325.14395	0.9
327.33981	0.6
335.16431	1.3
335.22318	0.5
353.17474	24.1
353.20697	1.0
353.24731	0.9
354.17825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01876	1.8
55.05514	16.8
56.10633	1.8
57.03450	9.1
57.07070	5.7
59.88694	1.6
61.02932	2.8
65.03956	2.9
67.05168	3.0
67.05506	57.6
69.03431	5.8
69.07073	17.7
69.38678	15.2
71.04988	6.3
73.23874	1.7
74.85680	1.9
75.04484	2.1
79.05496	75.9
81.03423	6.6
81.07059	65.7
81.99541	1.8
83.04982	6.7
83.08628	8.3
85.02911	5.0
85.06547	7.7
91.05483	66.0
93.07050	100.0
93.69314	2.1
94.07391	2.3
95.04980	10.9
95.08607	48.3
97.02927	3.6
97.06534	5.9
97.10188	3.8
99.04472	2.0
99.08092	5.2
105.07035	74.3
107.08601	61.9
109.06527	5.0
109.10171	17.0
111.08071	2.5
116.98504	2.2
117.07005	11.4
118.07896	2.0
119.08587	67.2
119.09442	3.9
121.10149	50.8
123.08080	2.3
123.11734	5.7
125.09643	3.2
127.03888	2.5
129.05603	2.0
129.07008	8.2
131.00031	2.0
131.08571	22.1
133.10143	61.8
135.11705	45.6
137.06017	5.3
137.09685	2.5
143.08574	12.3
145.10123	28.0
147.08139	2.4
147.11702	51.8
149.09637	2.4
149.13252	26.1
151.07520	2.9
151.11110	2.5
157.10136	12.3
157.89473	1.9
159.11713	20.4
161.09636	10.6
161.13254	44.9
163.11224	5.0
163.14851	12.2
165.12837	2.7
167.03465	2.3
167.07173	2.1
171.11699	17.7
173.13275	12.6
175.11273	4.4
175.14830	23.9
176.96858	1.8
177.12834	4.3
177.16455	2.4
179.10603	2.3
181.05000	4.0
185.13300	17.6
187.14839	4.1
189.00627	3.6
189.12782	2.9
189.16396	2.1
193.12268	3.4
199.14841	8.2
200.15265	2.1
203.14404	2.6
207.13969	2.1
213.16460	6.2
217.08867	1.8
217.15962	2.4
217.19553	6.9
221.15527	2.2
231.17470	3.9
231.21106	9.7
241.19508	41.9
242.20105	2.3
249.85867	1.9
259.20581	99.8
260.20908	2.5
273.06433	2.3
277.21677	17.8
283.06238	3.3
333.24347	13.4
351.14536	3.5
351.25375	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02439	0.3
53.03950	0.2
53.98162	0.3
55.05508	0.6
57.07080	3.6
63.31989	0.2
67.05514	1.7
69.03439	0.2
69.07084	1.3
69.81436	1.4
71.01373	0.4
71.08281	0.4
71.08637	5.7
79.05499	1.2
81.07059	4.3
83.01328	0.5
83.08610	0.5
85.10190	2.3
91.05488	0.4
93.07014	0.7
95.04965	0.4
95.08615	4.9
97.02884	1.1
97.06516	1.0
98.21079	0.6
107.04972	0.7
107.08549	0.4
107.17007	0.3
109.06553	0.3
109.10152	0.6
119.08573	0.4
121.10157	0.6
123.11659	0.3
125.05933	0.4
135.11726	0.5
137.05954	1.5
137.13239	0.6
153.05489	0.4
155.05748	0.5
155.07037	9.4
155.14342	3.3
172.12077	0.3
177.05426	0.4
179.03377	0.5
179.07022	0.6
181.04964	100.0
182.05283	1.5
197.08098	2.0
197.15372	1.9
269.90335	0.3
333.27673	0.4
351.21753	4.2
351.29214	0.4
352.22415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.07077	11.1
58.52104	0.3
58.64110	0.3
61.64397	0.3
67.01856	0.9
67.05504	3.8
68.99796	0.7
69.03423	0.8
69.07066	1.1
69.36229	0.5
69.36629	2.1
71.01339	0.4
71.08633	5.1
79.05494	0.9
81.07062	3.8
82.51311	0.3
83.08620	2.7
85.02891	0.4
85.10172	3.5
85.28574	0.3
91.05462	0.5
93.07038	0.5
95.08610	7.8
97.02886	0.4
97.10197	0.9
98.20789	0.7
98.21438	0.7
99.08090	0.4
105.07027	0.3
106.87222	0.3
109.10164	3.7
117.10608	0.3
123.04480	0.5
123.11695	0.9
127.03924	10.9
135.11679	0.5
137.13228	0.4
151.03951	0.8
151.09523	0.3
153.01833	100.0
154.02168	1.0
161.13240	0.9
169.04973	1.8
179.14273	0.3
183.17464	7.7
197.15454	0.5
225.18465	2.2
297.34689	0.3
349.35669	0.3
351.21613	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	351.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05514	14.6
57.03431	2.0
57.07082	11.5
67.05506	40.4
69.07069	16.2
71.04997	3.2
71.08628	3.5
71.56728	2.8
74.06082	6.9
75.44698	1.7
79.05489	13.0
81.07059	66.9
83.04988	4.5
83.08618	12.2
85.06551	2.7
85.10186	7.6
91.05485	11.2
92.07098	7.3
93.07063	17.1
95.04974	4.1
95.08611	100.0
96.08945	2.3
97.06550	5.0
97.10154	7.6
105.07009	13.1
107.04951	4.2
107.08602	9.2
109.06503	3.3
109.10152	36.9
113.09626	7.1
114.26680	2.0
119.08554	13.3
121.06590	2.0
121.10139	10.5
121.54817	1.9
123.08091	3.1
123.11707	8.6
127.03919	10.2
131.08574	4.6
133.10130	10.4
135.11679	6.4
137.05931	3.1
137.09639	3.2
137.13321	4.4
139.03970	2.0
143.08582	1.8
145.10089	3.5
147.11749	2.4
149.09612	2.1
151.14822	28.7
153.01820	2.5
153.05415	5.8
155.07011	7.6
155.08281	1.8
159.08142	2.3
159.11722	3.6
161.13280	19.6
167.07005	2.5
169.10222	3.0
171.11681	1.8
177.09183	6.0
179.14322	31.7
179.17946	4.2
181.04984	16.7
189.16389	3.8
197.15372	8.5
205.08618	3.0
207.17354	4.0
221.11679	2.5
225.18448	2.3
310.88614	2.0
334.27405	3.5
351.29794	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	351.2165
Annotation	Hyperjovinol A
Peak:m/z	Relative Intensity
53.03936	0.5
55.01857	0.8
55.05260	0.9
55.05515	12.7
57.03452	0.7
57.07067	3.8
65.03942	1.4
67.05508	33.8
68.99797	9.2
69.06725	0.7
69.07072	12.7
70.70023	1.3
71.05003	4.1
71.08628	3.9
79.05500	6.3
81.03420	2.5
81.07059	43.5
83.04995	1.2
83.08624	10.5
85.06551	1.7
85.10210	1.0
85.79921	0.7
91.05478	5.3
93.07053	4.9
95.04973	3.1
95.08609	47.8
97.06522	1.9
97.10168	12.0
98.21178	0.6
99.04457	1.4
99.08067	1.0
105.07017	3.6
107.04972	0.6
107.08595	4.5
109.02850	1.5
109.06531	2.3
109.10161	24.1
111.00805	12.6
111.08109	1.0
111.11721	1.9
111.94119	0.6
119.08569	5.0
121.10139	4.1
123.11710	12.7
125.09650	1.2
127.03919	100.0
131.08585	0.9
133.10147	6.6
135.11711	1.8
137.09613	2.8
137.13268	2.6
139.03917	3.7
141.12720	1.3
147.11674	2.3
149.13298	1.4
151.11179	0.9
153.01826	6.4
161.13268	1.2
165.16429	1.3
169.04959	1.2
177.16269	0.7
178.33171	0.7
179.17947	9.9
189.16403	14.8
193.08582	2.2
197.19003	6.0
200.10840	0.7
207.17438	13.9
209.08302	0.6
215.17924	0.7
225.18475	1.9
231.17435	1.1
237.11328	0.9
240.77724	0.5
249.18581	1.6
291.19559	0.7
305.21643	0.7
309.20383	0.6
315.19620	3.8
333.20572	7.3
351.21619	9.3
351.28867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.05512	2.9
57.07066	0.7
63.75014	0.4
65.03959	0.8
67.05168	0.5
67.05504	7.2
67.94669	0.4
68.99799	0.5
69.03421	0.8
69.07067	3.7
69.51649	0.4
69.66615	0.6
69.67021	1.9
71.04962	0.4
71.08634	0.8
79.05503	3.5
81.06582	0.5
81.07059	9.3
83.01341	2.5
83.04995	1.0
83.08624	1.2
85.06532	0.5
85.23187	0.3
86.90366	0.4
91.05474	3.1
93.07047	3.4
95.04985	3.4
95.08611	9.7
97.06548	2.1
97.10180	0.5
98.20969	1.0
98.21503	0.4
99.08073	0.6
105.07042	3.3
107.04970	0.6
107.08575	3.0
109.06528	8.6
109.10141	1.5
119.08585	4.2
121.06503	2.0
121.10160	1.9
123.04449	1.5
123.08057	0.9
123.11718	0.5
131.08563	1.1
133.10143	1.4
135.08109	1.0
135.11703	1.4
137.05986	1.7
137.09673	0.9
137.13228	2.2
138.03140	2.9
139.11172	0.8
143.08554	0.5
145.10133	1.3
147.11694	0.8
149.09674	0.6
151.03845	0.5
151.07535	0.6
152.45030	0.4
153.05453	1.0
155.07043	23.8
159.11668	0.7
161.13263	2.8
163.11206	1.5
165.12798	5.1
166.02664	3.8
167.07056	8.0
171.11719	0.4
173.13298	0.7
179.14319	1.8
181.04970	100.0
182.05299	1.7
184.03690	4.0
187.14775	0.5
189.16431	0.4
191.07104	0.8
191.14259	0.8
193.08633	0.8
205.08743	0.5
210.93182	0.4
229.14241	0.5
233.15204	0.4
261.22223	1.3
276.22598	0.4
277.21344	0.4
289.21655	8.3
289.66095	0.4
291.19531	0.8
295.19128	0.9
301.42444	0.4
315.19608	1.3
327.20755	0.4
333.20615	8.7
333.24231	0.8
351.21591	0.7
351.25369	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	351.2167
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
53.03940	1.1
55.05501	1.5
57.05681	0.6
67.05505	5.0
69.07062	1.6
69.59987	3.9
79.05489	2.7
79.62939	0.6
81.07058	6.9
83.01344	1.3
91.05466	1.6
93.07044	1.3
95.04977	0.9
95.08615	5.1
97.02883	0.6
97.06536	1.3
98.21042	2.2
105.07032	1.6
107.08601	1.6
109.06528	0.7
109.10136	1.3
117.07014	0.7
119.08567	1.5
121.10152	1.0
125.06006	1.0
128.08260	0.6
131.08598	0.6
133.73511	0.5
135.11696	1.1
137.05998	2.1
137.13252	2.0
139.07573	0.8
153.05495	1.3
155.07040	13.6
161.13321	1.8
167.07036	7.0
175.07588	0.7
179.03433	0.9
179.06987	1.4
179.14311	1.8
181.04965	100.0
182.05319	1.8
191.07028	1.5
192.73222	0.6
193.08611	1.0
205.08618	0.7
207.06560	2.0
221.11806	0.6
237.11179	0.8
249.14937	1.0
289.24704	0.6
291.19342	0.8
315.06674	0.6
333.20615	11.9
351.25455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2165
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
50.13165	0.5
52.41464	0.4
53.03956	0.7
55.01862	1.7
55.05505	1.6
57.07070	0.5
65.03929	0.5
67.05214	0.5
67.05509	5.7
68.99791	0.4
69.07053	1.9
71.08678	0.6
79.05494	2.4
81.03432	0.5
81.07060	7.1
83.01347	2.0
83.04990	1.1
83.08624	0.6
91.05478	1.1
93.07062	2.3
95.04960	2.0
95.08612	7.7
97.06514	0.8
98.21124	3.0
99.85799	0.4
105.07011	1.5
107.08558	1.0
109.06534	3.6
109.10124	1.4
111.04415	0.6
119.08583	1.9
121.06528	0.9
123.04421	1.5
123.08107	1.1
131.08611	0.6
132.55493	0.5
133.10124	1.0
135.11720	0.8
137.05981	1.8
137.13292	1.6
138.03120	3.0
139.11234	0.7
151.07643	0.7
153.05457	0.9
155.07040	25.6
161.13243	1.4
165.12764	1.2
166.02631	4.2
167.05774	0.9
167.07056	8.0
179.07167	0.5
179.14311	1.2
181.04962	100.0
182.05324	1.3
184.03647	3.6
191.07037	0.6
191.14366	0.6
193.08594	1.2
233.72310	0.5
261.22415	0.6
289.21579	2.0
291.19745	0.8
315.19415	0.8
333.20605	8.8
333.24225	0.5
337.22458	0.5
351.21591	0.9
351.25424	4.2
351.29297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1803
Annotation	Hysterin acetate
Peak:m/z	Relative Intensity
50.26674	0.9
50.40622	1.0
53.03945	1.4
55.01876	10.2
55.05308	0.9
55.05517	11.2
57.03432	2.8
57.07079	2.1
65.03947	1.0
67.05513	22.8
69.03411	2.8
69.07077	16.3
69.61370	6.3
71.04985	3.5
71.08641	5.0
71.10719	0.9
73.82410	0.9
79.05052	1.3
79.05496	15.9
81.03381	0.9
81.07066	27.7
83.03959	0.9
83.04970	3.3
83.08616	3.2
85.06525	2.4
91.05487	14.4
93.07053	22.1
95.04980	14.4
95.08049	1.7
95.08616	27.7
97.06538	13.5
97.10168	2.4
98.20879	2.3
98.21469	2.0
99.04449	1.4
99.08102	4.5
105.07043	13.5
107.04920	2.6
107.08591	11.1
109.06532	56.5
109.10175	6.2
111.08077	1.6
117.07004	3.7
119.08588	15.1
121.06519	12.9
121.10133	7.5
123.08087	5.3
123.11719	1.7
129.06966	1.5
131.08600	7.3
133.10153	7.0
135.08078	6.5
135.11707	3.1
137.06009	2.3
137.09613	8.7
137.13150	1.1
143.08534	1.0
143.10689	1.4
145.10161	7.2
147.08057	1.4
147.11693	5.5
149.09608	3.5
149.13258	1.2
151.07526	1.6
151.11189	1.9
153.05467	1.2
155.07062	13.8
155.08392	1.5
157.10141	1.8
159.11690	3.6
161.13329	4.5
163.11182	10.1
163.14899	1.4
165.12775	49.7
167.07054	5.8
171.11646	1.8
173.13243	5.5
175.11194	2.0
177.12762	2.4
179.06952	1.0
179.14316	2.5
181.04977	30.2
187.14850	1.5
191.07242	1.0
191.14339	5.8
193.08618	1.7
197.13322	1.6
207.10130	1.4
221.11736	2.4
221.15414	3.5
229.14311	1.8
233.15367	3.9
247.20627	1.4
261.22208	6.4
271.20544	3.0
273.14975	2.8
289.21640	66.0
291.16040	2.8
295.19012	5.6
333.20389	1.3
333.24173	2.6
351.25314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63920	4.1
55.05508	6.5
67.05510	22.8
69.03432	5.1
69.07065	6.2
70.76170	12.1
75.81856	4.0
79.05500	12.6
81.07062	49.7
83.08620	4.5
91.05489	11.6
93.07071	9.8
95.08603	10.2
99.08016	4.4
105.07012	8.6
107.08556	4.7
109.10149	8.2
121.10130	9.0
123.11676	7.5
127.03905	17.4
137.06055	5.3
139.03908	44.5
141.05428	7.0
147.11719	13.0
151.11169	4.5
153.01836	100.0
153.05420	9.7
165.05510	12.7
165.12801	8.9
167.03383	12.8
177.52127	4.5
181.05002	9.0
193.08621	12.7
207.10167	10.1
229.14310	4.2
271.22754	4.9
273.14938	12.8
291.15991	18.2
364.76361	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	351.2165
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
51.46479	1.2
55.01875	2.5
55.05514	9.3
56.40548	1.3
57.07078	13.2
66.12038	1.2
67.05505	20.2
67.84432	1.3
69.07067	14.7
69.89104	4.3
69.89512	2.1
71.04995	29.0
71.08630	15.4
76.69842	1.4
79.05485	5.4
79.98434	1.3
80.40919	1.2
81.07056	31.3
83.08630	6.4
85.06510	1.9
85.10181	8.5
91.05465	5.1
93.07022	4.6
95.04964	1.4
95.08049	2.4
95.08611	31.4
97.06474	2.4
97.10172	8.1
98.20856	2.7
99.08083	1.6
102.40199	1.3
105.07021	4.3
107.08581	5.3
109.10152	15.1
111.11722	3.9
119.08553	4.5
121.10178	3.1
123.11705	7.9
127.03909	4.6
129.09077	1.6
131.08554	1.3
133.10149	6.9
135.11679	2.3
137.09592	3.5
137.13254	2.9
147.11673	3.8
149.13246	1.6
151.11148	3.0
153.05467	1.6
155.14317	3.4
161.13210	1.7
163.03882	7.2
163.14821	1.7
165.16403	2.9
171.11760	2.0
181.04996	5.9
189.16388	13.9
192.12416	1.3
197.19009	100.0
198.19363	2.0
205.04915	1.5
205.45778	1.4
207.17471	7.1
223.88196	1.4
225.18495	47.0
253.17966	2.6
259.20413	2.6
278.29596	1.5
278.36652	1.4
318.61206	1.3
333.24368	1.9
333.27802	1.3
351.25439	2.3
353.32892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.8
55.05512	28.0
56.96560	5.3
57.03439	79.4
61.02929	7.4
69.03432	38.1
70.03915	11.3
70.06586	4.4
71.01354	32.6
71.04969	7.2
73.02929	37.8
73.06171	5.8
73.06558	88.9
75.04468	13.8
79.05515	3.1
81.03399	6.1
83.01328	4.1
83.04986	42.1
85.02909	100.0
85.03425	6.6
85.06519	4.3
87.04459	7.2
93.05543	4.7
95.01326	23.4
95.04934	4.3
97.02893	45.9
98.21114	9.6
98.97578	6.5
99.00819	13.9
99.04433	19.8
101.02381	9.6
101.06023	11.7
103.03948	79.0
104.85867	3.7
108.04418	3.7
109.02936	3.9
113.02373	37.7
115.03884	5.0
117.01818	4.0
117.05511	24.7
127.03908	9.5
129.05508	3.9
131.03410	26.0
133.04849	4.6
141.01831	59.1
145.04977	22.4
146.06033	10.5
147.10149	5.8
153.01852	5.5
157.08612	35.1
158.08080	4.9
159.02908	12.9
159.06493	7.3
169.04935	7.8
171.06490	4.2
175.09682	26.0
187.06073	18.6
197.04594	4.4
199.09595	3.9
203.05864	3.5
207.02893	5.1
210.56277	5.9
212.06310	9.3
215.05519	40.3
233.06529	18.6
239.03040	3.3
333.10638	5.4
351.12241	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
69.03416	1.0
69.63887	1.2
69.64308	1.8
71.04980	0.8
73.06550	1.9
78.07830	0.5
81.03431	0.9
83.04983	0.6
85.02897	1.1
89.06042	0.8
93.91625	0.4
95.04905	0.5
97.02885	0.9
98.20848	0.9
98.21499	0.9
99.04443	0.6
101.06027	1.2
105.06995	0.8
109.02865	0.6
110.79617	0.4
119.08591	0.9
120.08089	0.5
127.03928	1.5
128.30157	0.6
143.08537	0.6
147.04401	0.6
150.58409	0.5
161.09686	0.7
162.79272	0.5
175.08684	0.7
199.08646	2.8
200.09471	7.5
201.10245	7.9
202.10960	0.9
212.09479	1.0
213.10243	8.7
214.11000	5.8
215.11804	20.6
216.12457	1.4
217.09758	1.8
218.10361	0.6
219.11313	10.2
225.10205	0.7
225.13846	0.9
226.10986	2.3
227.11906	1.3
228.09042	0.7
228.12520	3.1
230.14110	0.7
231.11267	2.9
232.11888	0.6
241.09734	2.8
241.13345	4.7
242.10513	11.7
243.11334	2.9
245.09238	0.9
254.10533	1.6
255.11224	0.6
256.12164	4.1
259.10757	3.4
260.11572	4.7
261.12268	1.0
269.12787	4.9
270.13474	0.9
271.14499	1.0
271.68155	0.5
272.11606	1.0
274.13138	1.1
277.11850	3.5
287.13928	3.1
288.14856	0.7
289.15485	0.7
297.12378	7.5
300.11035	3.5
315.13403	17.5
333.02258	0.5
333.10889	0.9
333.14429	19.1
351.15521	100.0
352.15790	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	351.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05509	13.9
57.03451	2.3
59.05003	2.8
63.82218	1.1
67.05518	1.4
68.54049	1.3
69.03429	16.0
70.70717	2.5
70.71047	2.2
71.04997	28.4
73.06558	100.0
74.06870	1.6
81.03432	6.7
83.04984	8.9
85.02906	28.9
87.04455	1.3
89.05647	1.0
89.06041	13.1
90.33671	1.2
93.07040	1.3
97.02893	22.3
98.21194	2.6
99.04485	6.2
101.06035	2.8
101.49130	1.1
107.07050	4.6
109.02899	6.1
115.03864	1.5
117.05488	17.1
127.03928	12.8
129.05490	1.6
145.04965	5.4
162.56424	1.2
173.08095	6.0
185.08115	4.1
188.03780	5.4
189.04129	6.5
190.08694	1.4
197.08113	2.7
215.09181	4.9
217.10826	1.8
233.10316	1.6
251.11243	4.3
253.28604	1.6
333.11142	2.0
333.15366	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	351.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.05518	13.3
57.03446	2.1
63.97464	1.4
66.92536	1.2
67.05515	1.6
69.03435	16.2
70.38535	3.8
71.04995	27.9
73.06559	100.0
81.03416	11.2
81.07055	1.3
83.04991	8.1
85.02903	31.0
89.06030	8.4
97.02901	25.2
98.21265	2.3
99.04459	7.4
101.06017	3.2
103.04002	1.7
105.06977	2.0
107.07080	4.7
109.02917	7.8
117.05498	17.8
127.03911	14.2
145.04979	6.3
173.08099	6.1
181.64178	1.4
185.08124	6.1
197.08078	2.9
208.36026	1.6
215.09146	2.8
233.10083	2.5
251.11249	6.8
255.07684	2.1
259.10657	1.8
261.08911	1.6
269.09296	3.0
273.08630	1.8
287.10449	3.9
297.08801	1.8
315.09784	10.7
315.13757	2.3
333.10809	16.4
333.15302	5.2
351.11728	16.5
351.15561	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
54.48560	1.1
55.01856	1.6
55.05516	11.8
57.03426	1.7
59.05008	1.7
61.02917	2.8
69.03435	14.7
71.04996	43.2
71.55831	1.4
73.06559	100.0
79.05475	1.7
81.03417	6.3
81.07061	1.4
83.05008	6.5
85.02429	2.1
85.02907	27.2
85.06539	2.9
89.06031	8.9
89.32518	1.2
97.02903	16.6
99.04433	4.4
101.06026	2.9
103.03973	1.2
107.04931	1.9
107.07081	7.6
109.02872	5.7
117.05470	6.3
127.03937	17.0
132.95888	1.3
145.04965	4.7
185.08101	2.1
188.03758	1.8
189.03990	1.4
215.09160	2.8
217.10732	1.4
233.10257	1.7
234.98997	1.3
241.09723	1.8
245.10153	1.5
251.11444	2.7
293.01608	1.7
333.10809	1.4
333.15402	3.3
348.23953	1.2
351.11667	1.3
351.15625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.7
57.88250	9.4
59.48614	10.5
67.05495	40.9
69.07072	18.2
70.82102	15.6
70.82444	25.2
79.05495	43.6
81.07063	82.5
93.07039	27.4
95.04993	13.5
95.08621	23.0
105.07050	23.9
106.40923	10.5
107.08565	15.7
109.06540	22.2
109.64220	10.9
121.10168	10.7
127.03969	14.8
133.10165	14.0
139.03920	31.1
147.11717	26.6
151.07462	11.1
153.01819	100.0
169.08656	30.4
193.08618	18.7
195.06544	31.4
213.07498	14.9
245.92538	12.4
291.16028	14.4
315.19577	16.7
333.20584	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1186
Annotation	bisanthene
Peak:m/z	Relative Intensity
53.03927	1.0
55.01885	5.2
55.05505	2.7
57.03422	1.2
59.78727	0.9
62.92084	1.0
64.23970	1.0
65.03976	0.9
67.05503	1.1
68.45403	1.2
69.03427	3.9
69.54204	7.3
71.04987	4.1
73.06559	4.1
78.75316	0.9
81.03413	2.4
85.02905	5.2
89.06030	2.2
91.04907	1.0
91.05489	3.0
93.07063	1.1
97.02892	4.0
98.20683	0.9
98.21252	3.9
99.04446	1.9
105.07025	1.6
109.02839	1.5
109.10142	1.2
119.04924	1.0
119.08506	1.4
122.06056	1.1
127.03918	3.7
130.06520	2.2
132.61258	0.9
137.06061	1.0
139.03970	2.4
147.04375	1.0
153.01846	1.8
161.09573	1.2
162.05524	1.2
168.06583	2.3
173.06915	1.2
175.08678	1.2
177.05412	1.3
179.51558	1.1
185.07057	1.5
185.10760	1.4
186.07870	1.4
189.01955	1.1
198.07822	1.2
199.08571	4.8
200.09425	6.6
201.06602	2.8
201.10210	6.0
202.08664	1.3
203.08163	2.0
212.01801	1.1
213.06627	4.3
213.10202	10.9
214.07350	3.9
214.10973	3.7
215.08308	5.3
215.11818	16.4
216.12521	1.4
217.01257	1.2
217.06105	3.7
217.09554	4.5
219.07838	4.5
219.11272	9.3
226.07434	1.1
226.10956	1.9
227.08235	7.4
228.12564	1.8
231.07678	3.9
231.11345	2.3
232.08438	4.3
233.09227	3.6
237.06671	1.8
241.06064	2.4
241.09735	16.9
241.13493	2.9
242.06941	5.2
242.10556	6.9
243.07642	2.8
243.11382	1.5
244.09850	1.2
245.01028	1.1
245.05589	2.7
245.09238	8.3
249.03993	1.2
251.08144	1.9
255.07640	13.1
256.12042	2.6
259.07175	2.9
259.10812	7.5
260.07910	4.8
260.11588	3.3
261.08740	3.8
261.12390	1.2
269.09262	12.1
269.12494	2.2
271.10770	2.3
273.08698	10.2
277.11899	2.7
287.10373	13.9
287.13535	1.8
289.11896	3.2
289.15027	1.2
291.09729	2.9
297.08707	13.2
297.12332	5.8
300.11081	2.6
305.11243	3.7
305.14499	1.4
315.09735	45.4
315.13373	14.2
316.10355	1.3
323.05243	1.0
333.10837	100.0
333.14468	13.1
334.11111	2.9
351.11786	82.8
351.15552	66.5
352.12061	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03943	5.7
55.01871	1.1
55.05498	0.8
57.03436	2.9
61.02908	0.5
67.05502	1.1
69.03083	0.7
69.03432	12.3
71.01351	3.6
71.04984	1.6
71.57770	0.7
73.02910	1.3
77.03935	1.2
79.05495	3.6
81.03415	11.8
81.07050	2.3
83.01324	1.0
83.04968	1.7
85.02902	11.3
87.04472	0.6
89.01546	0.5
91.05482	5.3
93.07056	3.4
95.04973	8.5
95.08578	0.6
97.02891	32.5
97.06544	0.7
99.04442	2.4
105.03390	100.0
105.04540	2.5
105.07026	28.3
106.03732	0.7
107.04956	1.4
107.08563	3.3
109.02873	4.4
109.06515	1.3
109.10143	0.6
111.04415	1.4
113.02374	0.8
115.03931	3.0
117.07050	1.1
119.04934	0.9
119.08571	4.0
121.06498	0.7
121.10152	0.9
123.04441	1.6
123.08067	1.3
123.42355	0.5
125.02364	0.7
127.03914	4.1
128.06215	1.1
129.06990	0.7
131.08563	1.4
133.06490	1.8
133.10126	19.2
135.04373	1.3
135.08090	0.8
137.05981	1.3
137.09589	0.6
139.03893	2.1
143.08569	2.2
145.06523	0.8
145.10130	2.2
146.07231	1.0
147.04419	1.1
147.08044	1.2
147.11678	0.9
151.07552	1.3
151.11217	0.6
153.05444	0.5
159.08162	0.6
159.11658	0.8
161.06029	0.7
161.09612	18.2
161.10928	1.0
163.03900	2.2
163.11166	5.0
165.09149	0.5
171.07983	0.9
177.09126	0.9
179.10675	4.6
181.04967	2.9
189.09099	4.1
193.04915	0.7
193.67679	0.5
201.05432	0.8
207.10146	2.4
211.06004	0.9
219.06503	6.6
291.10162	1.0
319.09528	0.6
323.14969	1.5
333.13364	1.5
351.10776	24.3
351.14487	7.5
351.24512	1.2
351.74640	0.8
352.10843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01872	1.0
56.96566	16.5
57.03426	1.4
60.64870	0.9
69.03440	4.1
70.56317	0.7
71.56895	1.1
71.95249	1.3
73.06547	1.8
79.01855	1.3
81.03394	2.1
84.96029	4.6
85.02913	5.7
86.09676	1.3
87.04424	1.0
94.74352	0.8
97.02896	4.4
98.21030	0.9
98.97588	100.0
99.04460	1.5
101.00890	1.0
109.02850	1.1
110.97567	8.8
111.05540	1.5
111.52741	0.9
112.99100	1.7
115.35886	0.9
116.98628	56.2
119.00163	1.1
119.01884	2.2
121.01592	0.9
125.02365	1.1
125.06004	1.0
126.96957	0.8
127.03889	2.9
128.98619	9.4
131.00117	2.6
134.99661	16.0
137.06038	0.8
140.00163	1.5
140.98592	1.5
143.00151	1.9
144.98048	2.3
145.01677	4.6
145.03467	1.8
145.04814	1.0
146.99660	6.5
147.03217	3.2
149.01198	1.9
149.05952	0.9
152.98570	2.1
153.00740	1.7
153.01836	10.2
153.05460	1.6
154.02161	1.0
157.06039	2.2
158.99663	36.6
161.01222	2.6
161.02892	1.2
162.05463	1.3
162.99170	1.4
163.02765	4.2
165.04289	3.6
170.99629	3.0
171.03239	3.0
175.02728	2.0
177.00729	36.3
179.02269	0.9
189.00656	2.5
189.04329	14.6
190.04907	2.6
195.01688	2.6
196.21408	0.8
200.02362	2.0
201.00781	1.6
201.04268	0.8
207.03241	1.0
207.05299	2.6
213.04314	0.9
217.03757	1.0
219.01776	11.8
221.04948	0.9
231.03397	1.8
231.05351	3.2
237.02847	22.5
249.06284	1.8
255.03853	1.1
260.04413	1.0
261.32053	0.8
277.03430	0.9
291.07504	28.9
299.83765	0.8
303.01120	1.8
309.08572	84.6
310.08783	1.8
332.10165	4.0
351.09543	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56945	3.6
52.66941	3.8
57.22517	3.7
69.03422	6.1
70.32104	13.0
85.02905	9.5
97.02918	7.9
98.21033	7.2
101.00893	4.8
103.00661	6.8
119.01917	15.2
120.02045	6.9
121.01682	18.0
121.03455	3.8
131.01883	6.5
133.01682	11.4
133.03484	6.7
143.01939	3.7
155.01897	4.9
157.03479	4.7
159.05046	4.3
161.03035	4.9
171.05067	10.4
173.02982	11.7
181.17894	3.6
189.00719	7.6
201.02568	4.0
217.00128	12.9
231.01714	7.9
245.05022	4.8
249.02840	16.2
249.08316	6.2
261.08264	5.5
273.38864	4.0
291.09195	5.5
351.03101	2.3
351.06940	75.4
351.12360	100.0
363.47299	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.4
57.03429	6.9
63.72886	2.8
69.03440	17.2
69.23730	8.4
69.24144	21.4
71.04984	3.6
71.75469	2.8
73.02924	6.4
73.06554	4.8
81.03419	7.1
83.04991	6.0
84.96024	3.5
84.97065	2.8
85.02915	31.1
95.99172	3.0
97.02903	16.2
98.20656	6.3
98.21285	13.4
98.97587	26.3
99.04450	5.5
101.00872	33.1
103.00633	12.8
103.02443	9.8
106.70354	2.8
108.02380	2.3
108.28961	2.5
109.02900	4.7
110.97565	6.8
113.00887	13.3
115.00648	6.6
115.02438	12.5
116.98627	7.6
117.04021	7.5
119.01926	52.3
121.01663	20.3
127.02422	7.5
127.03897	9.5
128.17987	2.8
128.98613	14.5
129.03978	6.0
131.00180	2.7
131.01912	33.2
133.01672	19.5
133.03468	26.5
135.03207	4.6
135.05055	3.4
137.06023	2.9
139.02568	3.7
143.00148	5.4
143.01894	22.5
145.01669	5.7
145.03488	41.6
145.04774	5.3
146.99648	4.0
147.01353	10.1
147.03232	4.5
147.05011	15.3
149.02960	6.7
151.04636	3.5
153.01819	16.2
153.04031	4.8
154.02162	4.0
155.01909	35.5
157.01675	4.7
157.03474	12.4
158.99658	8.3
159.05038	10.8
161.01163	3.8
161.02965	34.7
163.02646	6.1
163.04562	6.4
165.02574	3.5
169.03520	6.2
170.99681	14.1
171.01291	14.0
171.05038	34.0
173.02956	38.5
173.06644	3.9
175.02745	7.4
175.04491	3.6
177.00714	8.4
177.02357	3.1
179.04108	3.4
182.99580	3.4
183.01395	7.9
183.05043	5.2
185.03021	14.6
185.06676	3.9
187.02849	4.9
187.04539	12.3
189.00708	16.6
189.02444	33.8
189.04211	7.5
189.05907	18.1
191.03996	3.8
193.03801	3.6
195.01465	3.3
197.03026	5.2
198.99185	6.7
199.04561	3.8
201.00687	8.5
201.02457	42.4
201.06047	15.3
203.03989	19.0
203.07716	3.1
207.01733	4.1
207.03543	11.1
207.07199	10.6
211.08144	4.7
213.02440	7.9
215.03954	8.4
217.00127	20.2
219.01759	4.4
219.03528	54.8
221.03224	3.9
221.05145	16.7
223.04803	4.2
224.04445	3.4
225.08136	7.2
231.01755	10.3
231.03580	100.0
231.07214	7.6
237.02805	5.2
243.03654	32.9
245.05103	16.7
249.02499	24.1
249.08199	13.4
257.03110	3.7
259.02618	4.6
261.04602	11.0
261.08313	10.3
263.06125	6.9
273.04761	3.6
273.08011	4.2
275.06079	6.6
277.03445	12.5
279.03726	3.3
289.07706	6.9
291.05920	4.5
291.09161	30.3
303.01349	10.3
309.10291	7.6
319.04971	3.3
333.06622	4.0
336.02808	2.8
351.07083	34.5
351.11697	83.4
359.07843	3.1
368.17007	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	349.2738
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
53.00320	0.9
53.03942	2.1
55.01878	8.6
55.05516	39.6
57.03434	2.6
57.07081	35.1
65.03916	1.2
67.01870	8.0
67.05171	1.3
67.05511	22.8
68.99436	1.9
68.99797	39.1
69.03425	4.2
69.07073	58.2
69.56782	2.2
69.57183	5.7
71.01337	0.9
71.04994	2.8
71.08640	15.0
79.05495	16.5
81.03425	4.0
81.07062	27.1
83.04992	9.9
83.08624	30.6
85.02913	1.1
85.06551	1.9
85.10199	6.2
87.00834	2.6
91.05488	5.1
93.07050	22.1
95.04961	3.5
95.08615	21.1
97.02893	4.5
97.06537	15.2
97.10175	18.1
98.21485	1.3
99.04458	1.9
99.08123	1.6
105.07034	4.7
107.04988	4.7
107.08609	20.3
109.06508	3.7
109.10162	12.6
111.00813	79.6
111.04441	20.8
111.08076	8.9
111.11735	4.7
113.02357	1.9
117.07039	2.9
117.32407	0.9
119.08598	5.0
121.06477	5.4
121.10153	18.2
123.04420	2.3
123.08106	4.7
123.11700	4.6
124.01555	1.1
125.05977	5.8
125.09657	6.0
125.13274	1.5
126.03186	4.7
127.03926	26.8
127.07549	1.2
131.08580	3.0
133.10132	3.0
135.08044	5.9
135.11703	15.1
137.09631	1.6
137.13277	1.5
139.03912	54.7
139.07527	5.3
139.11191	4.3
139.14726	0.9
141.05510	2.7
145.10129	3.1
147.11667	1.8
149.05997	2.3
149.09631	5.2
149.13257	9.3
151.07573	1.7
151.11166	1.1
152.01035	1.7
153.05479	12.3
153.09119	4.7
153.12758	3.4
157.08614	2.2
159.11719	2.7
161.09624	0.9
161.13235	1.8
163.07605	2.2
163.11197	3.2
163.14803	4.4
167.03413	60.6
167.07059	6.5
167.10667	5.5
167.14372	1.2
170.02083	2.3
171.10191	3.2
173.13286	2.4
177.09195	1.4
177.12798	3.8
177.16385	2.1
179.07137	1.4
181.04915	1.3
181.08611	8.7
181.12245	4.8
185.11748	4.4
191.10660	1.1
191.14317	2.4
191.17905	2.1
195.06569	1.4
195.10204	17.5
195.13907	4.6
199.13304	3.4
205.15900	2.1
209.11737	23.3
209.15305	2.6
213.14827	2.5
223.11150	1.4
223.13309	30.0
223.16972	2.6
233.18954	1.0
237.14897	27.9
237.18633	3.1
251.16457	31.0
251.20262	1.2
261.25797	1.4
265.17999	29.4
271.24142	1.1
275.20267	2.4
279.19562	28.3
289.25342	2.0
293.21124	23.0
307.22690	7.4
307.26337	8.4
331.26169	1.5
349.23715	12.2
349.27405	100.0
350.27716	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	350.1347
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
50.65008	0.3
53.03935	0.9
55.01862	0.9
57.03440	2.6
59.05002	0.3
60.23870	0.3
61.02930	2.1
62.74557	0.3
69.03436	7.6
69.37125	2.0
71.01344	1.0
71.05009	2.3
73.02898	1.1
73.99444	0.3
75.25510	0.3
79.05484	0.3
81.03413	1.6
84.31649	0.3
85.02901	0.3
91.05482	1.0
93.07024	0.5
97.02839	0.5
98.20930	1.0
99.04469	1.7
105.06993	0.4
107.08545	0.4
116.04915	0.5
117.05568	0.7
118.06551	3.2
120.08133	0.5
132.06873	0.5
132.08090	0.7
133.10120	0.4
145.07617	14.8
146.08420	0.7
147.09177	19.0
157.07657	0.8
159.09175	9.5
160.09941	1.6
161.10733	0.5
172.10002	0.3
173.07056	2.0
173.10745	0.9
175.08653	1.3
177.33080	0.3
183.09090	0.3
184.09891	0.5
185.10748	3.5
186.11493	0.4
187.08669	1.1
187.12363	1.0
189.10246	0.9
191.08160	100.0
192.08513	1.7
197.10696	1.3
199.08673	1.2
199.12305	1.2
201.10217	1.0
203.08180	0.4
213.10295	2.1
215.11812	1.6
216.07709	9.4
219.11314	0.3
225.10202	1.1
231.11348	0.8
233.12846	0.5
243.11240	0.5
245.09189	0.7
245.12807	0.4
259.11008	0.5
263.13931	6.8
271.10782	0.8
289.11850	4.0
307.12888	52.8
308.13303	1.4
350.13474	46.5
351.13855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.9
69.03426	10.0
70.06542	3.7
71.06837	7.3
83.04980	4.8
85.02899	14.8
86.90274	3.6
97.02873	8.1
97.97834	2.7
98.21191	3.5
109.02869	5.3
111.04461	29.6
112.07471	3.1
121.03968	3.3
127.03928	4.7
139.03915	80.3
153.01817	7.7
170.11703	8.2
171.06543	100.0
176.10367	5.4
188.03796	15.6
188.12830	7.2
197.40637	3.8
208.63298	3.1
215.83630	3.9
255.50800	3.3
350.10184	5.5
350.14307	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
52.94766	0.2
53.03944	0.5
55.01876	1.6
55.05517	1.9
57.07066	0.7
65.03943	0.2
65.69890	0.2
66.66430	0.2
67.05499	2.2
68.99782	2.1
69.07072	2.9
69.33931	2.0
69.34331	0.4
70.70832	0.2
71.08637	0.4
72.39389	0.3
79.05491	1.4
81.03391	0.7
81.07063	1.5
83.04967	0.6
83.08624	1.3
91.05470	0.3
93.07043	1.1
95.04973	1.2
95.08598	1.6
97.06512	0.7
97.10163	0.9
99.04472	0.3
105.07104	0.3
107.04943	0.4
107.08585	0.8
109.10165	0.9
109.35082	0.3
111.04436	0.9
111.11740	0.4
111.83768	0.2
119.04959	0.6
121.06549	0.3
121.10162	1.4
123.04437	2.2
124.01571	2.3
130.93182	0.2
135.11700	1.1
137.02361	0.6
137.05954	0.9
139.03909	1.7
141.05481	4.7
149.13191	0.2
151.07605	0.6
152.01059	3.4
153.05469	16.6
163.03886	0.5
163.07571	0.5
165.05466	0.5
167.03404	100.0
168.03737	1.6
169.04926	0.9
170.02116	2.7
177.05502	1.8
179.07062	2.7
181.04967	0.4
191.07045	0.5
191.17935	1.1
195.06567	3.9
205.08598	0.8
207.10141	1.5
209.08102	0.4
209.19020	0.6
219.10138	0.4
223.09685	0.3
331.22791	1.3
349.23734	28.0
350.24304	1.4
358.10718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.9
55.01883	17.5
55.05295	2.4
55.05513	27.9
55.16268	2.0
57.03428	19.1
65.03947	4.2
67.02957	2.1
67.05503	75.1
69.07068	67.7
69.07381	1.2
69.07445	2.2
70.71149	3.5
71.04987	2.9
77.04642	2.1
79.05493	63.7
81.03415	31.4
81.07059	86.5
83.04995	14.2
83.08633	14.9
85.06567	3.7
91.05486	67.9
91.06064	3.3
92.41427	2.2
93.07047	61.2
95.01323	25.5
95.04974	23.8
95.08608	60.2
97.06522	26.0
97.10172	6.4
98.20983	2.4
99.08093	2.5
103.05472	3.7
105.07030	100.0
107.04957	38.1
107.08594	35.5
109.06502	8.3
109.10163	12.7
111.04400	4.0
111.08082	3.3
111.46050	2.2
117.07020	25.7
119.08586	52.1
121.06517	7.7
121.10149	13.6
123.04439	5.4
123.08041	9.5
123.11715	4.1
125.09675	2.9
127.03863	2.0
129.07025	6.0
130.07770	2.8
131.08574	34.2
133.06503	2.9
133.09119	3.1
133.10127	56.1
135.08044	4.7
135.11707	13.4
137.09628	3.7
137.59161	2.8
139.07547	2.4
141.06995	6.1
143.08537	6.8
145.06479	7.5
145.10118	28.9
147.11685	23.3
149.09645	10.5
149.13277	11.0
151.11234	3.7
155.08661	3.3
157.10136	6.1
159.07990	3.6
159.11678	24.0
161.09656	2.5
161.13261	8.8
163.11153	7.5
165.09143	3.5
167.10623	2.4
169.10182	4.1
171.11655	4.9
173.13280	6.2
175.11217	2.3
177.12727	11.0
179.14302	29.7
183.11755	5.7
187.11205	6.9
193.12323	2.7
205.12308	3.5
239.17944	2.9
247.20645	3.6
257.18939	7.4
275.20047	55.8
316.44891	2.4
349.23788	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.94473	0.6
52.25089	0.7
55.05499	4.0
57.07062	2.5
67.05489	3.2
67.41755	0.7
69.07056	3.7
71.58161	1.0
71.79960	0.7
79.05502	5.2
81.07056	12.8
83.00966	0.8
83.01347	9.2
83.04975	2.5
83.08605	2.2
85.06530	1.0
89.06033	1.1
91.05450	1.8
93.07053	4.2
95.08627	4.1
97.06513	1.8
98.17342	0.8
99.08070	1.1
105.07029	1.5
107.08582	3.1
109.06534	5.2
109.10127	1.9
111.04468	1.5
119.08614	1.8
121.06483	0.8
121.10124	2.0
124.39521	0.8
125.06012	5.1
125.58997	0.9
127.07555	10.8
135.08098	1.2
135.11674	1.2
139.07538	2.2
145.10133	1.1
149.05959	4.2
151.07532	2.9
152.04695	2.8
153.05486	2.5
161.28201	0.8
163.07521	1.6
165.09064	1.3
167.03416	1.1
167.07057	5.1
169.08588	5.6
177.05470	3.3
177.09154	1.5
181.04968	8.5
181.08601	2.4
195.06531	47.0
196.06969	0.9
205.08662	1.0
207.06427	1.1
207.10097	1.1
213.07584	12.8
223.09624	2.0
224.57503	0.7
260.36667	0.9
275.20093	1.7
331.22653	2.6
333.12439	1.0
349.23740	100.0
350.24124	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	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
55.01867	1.3
55.05515	3.5
57.07083	2.2
67.01849	1.4
67.05511	3.0
68.99784	1.6
69.00124	0.3
69.03424	1.3
69.07063	5.6
71.08617	0.5
71.58191	0.5
79.05502	2.7
81.07062	4.9
83.04968	0.8
83.08625	2.8
85.06528	0.5
86.48576	0.4
90.17365	0.4
91.05479	1.8
93.07049	3.1
95.04957	0.4
95.08614	3.7
97.02892	0.8
97.06528	1.5
97.10188	1.1
105.07048	1.7
107.04971	0.8
107.08595	3.1
109.06521	2.7
109.10150	1.4
111.00790	0.6
111.04452	0.8
111.08054	0.6
111.11714	0.6
119.08569	1.2
121.10112	2.2
123.04446	0.9
123.08077	8.2
123.11688	0.8
125.09632	0.4
127.03922	2.8
129.94971	0.5
131.08577	0.6
133.10146	1.0
135.08124	0.5
135.11700	1.5
137.05988	0.8
137.09607	0.5
139.03900	7.8
140.63931	0.4
145.10072	0.7
147.11632	0.4
149.06032	0.5
149.09631	1.0
149.13336	0.5
151.03740	0.4
151.11131	0.4
153.01830	100.0
154.02185	0.9
155.03404	1.3
159.11662	0.4
163.03944	0.8
163.11148	0.4
165.05482	1.2
167.03407	0.9
171.02850	0.6
177.05492	0.9
179.14322	4.1
181.04935	3.0
193.08617	1.0
195.06531	0.8
205.19595	0.6
223.20483	0.8
236.88258	0.4
275.19980	2.1
293.21127	1.6
331.22739	1.6
331.26251	0.4
349.23700	27.5
349.27478	9.6
349.30911	0.6
350.23978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.24420	2.5
55.05497	10.0
55.14166	2.4
56.72268	2.2
56.77942	2.5
67.05500	14.3
69.07079	22.3
69.67802	15.4
77.79980	2.4
79.05506	15.0
79.11449	2.2
81.07057	28.1
83.01343	7.5
83.04980	6.7
83.08605	7.5
91.05471	9.0
93.07032	10.9
95.08602	11.2
97.06541	4.4
98.14244	2.4
98.21127	8.7
105.07046	7.7
106.59168	2.3
107.08587	8.6
109.06522	7.0
109.10148	4.3
119.08569	6.6
121.06548	2.9
121.10105	4.6
123.08078	2.4
125.05993	7.9
127.07549	11.4
130.71663	2.3
131.08546	2.8
133.10190	4.1
139.07599	3.0
145.10179	3.3
147.11656	2.7
149.05965	4.9
149.09634	4.7
151.07562	3.4
153.05513	6.0
159.11728	3.7
163.07463	2.7
165.09187	3.5
167.03334	2.7
167.07054	5.7
169.08647	13.8
169.09874	2.9
177.05627	3.4
179.14244	3.3
181.04869	2.8
181.08594	3.3
195.06528	46.3
213.07658	12.4
223.09665	3.3
257.18826	2.6
275.20059	8.9
325.87219	2.9
349.23724	100.0
350.24341	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03939	0.4
53.27025	0.3
55.01862	0.8
55.05511	2.4
57.07056	0.9
60.08147	0.4
65.03917	0.3
67.05498	1.6
68.99770	0.4
69.03418	0.5
69.07070	2.9
69.23386	1.5
69.23811	1.0
71.08639	0.4
79.05486	1.0
81.03403	0.5
81.07064	1.8
83.01334	1.4
83.04978	2.1
83.08607	1.4
91.05436	0.3
93.03413	0.3
93.07023	0.8
95.08606	1.5
97.02877	0.6
97.06521	0.7
97.10191	1.4
97.81249	0.3
98.20954	1.1
107.08583	0.9
109.10146	1.2
111.04436	0.9
111.08064	0.4
111.11676	0.6
119.08604	0.3
121.10158	1.0
123.04388	0.4
125.02302	0.4
125.05992	0.5
135.11719	0.7
137.05943	0.8
139.03908	0.3
141.05470	2.7
149.13277	0.3
151.07544	0.3
153.01828	2.6
153.05476	6.8
163.03914	0.3
163.07527	0.5
165.01845	0.4
165.05444	0.3
167.03404	100.0
168.03732	1.1
169.05000	1.0
177.05449	1.1
179.07069	1.1
181.05020	0.6
185.04469	0.7
191.07040	0.8
191.17952	1.0
195.06540	2.1
205.08601	0.4
207.10193	0.7
209.08138	0.5
209.18901	0.5
283.85092	0.3
331.22552	1.5
349.23746	25.6
350.24091	1.0
350.30396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16142	1.4
55.05515	7.3
57.07080	24.7
67.05216	1.6
67.05510	18.4
69.07062	5.7
69.73362	7.6
69.73787	2.1
70.06518	1.3
71.08629	20.0
79.05492	9.9
81.07057	20.9
83.04984	2.3
83.08628	5.2
90.09328	1.5
91.05467	6.9
93.06646	1.2
93.07054	12.9
95.08606	10.5
97.06551	1.7
98.20916	4.0
98.21494	1.7
102.15203	1.5
105.07047	2.6
107.08610	8.6
109.10161	4.0
117.06973	2.7
119.08575	4.9
121.10152	7.7
123.11698	4.7
127.03918	37.5
129.84357	1.4
131.08571	2.5
133.10159	2.3
135.11684	5.9
137.05971	2.9
141.12758	17.5
147.11603	3.0
149.13286	3.5
153.01836	100.0
155.07013	8.2
159.11705	2.3
160.30806	1.6
167.07013	2.0
177.16357	4.7
179.14331	1.7
179.17915	1.7
179.32245	1.4
181.04996	4.8
185.13252	1.9
191.07010	2.0
195.13747	1.5
199.14828	2.5
209.08104	13.1
219.17336	1.7
257.19080	1.9
275.20108	4.2
279.20935	2.3
331.18958	4.2
349.19757	5.4
349.23758	3.8
349.28455	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56673	1.0
53.03934	3.0
54.06692	1.1
55.01871	6.8
55.05513	18.2
57.03191	1.3
57.03442	14.4
57.07063	3.0
64.69423	1.1
65.03930	2.7
67.05509	35.2
69.03429	3.1
69.07073	26.5
70.74476	1.4
70.74824	2.3
71.04989	2.9
73.32427	1.2
79.05053	2.2
79.05494	32.0
79.75556	1.0
81.03405	2.2
81.07061	53.1
83.01314	1.2
83.04987	10.8
83.08644	5.4
85.02908	1.7
85.06528	2.4
85.85981	1.0
88.18174	1.1
91.05482	26.3
93.07051	43.7
95.04967	10.2
95.08610	27.6
95.75120	1.3
97.02901	1.2
97.06558	6.4
97.10166	2.9
105.07035	36.6
107.04948	13.5
107.08599	28.7
109.02865	1.0
109.06534	13.1
109.10173	12.1
111.08086	3.6
115.05445	1.3
117.07020	11.3
119.04914	1.0
119.08591	19.4
121.06502	14.3
121.10150	14.3
123.08116	6.4
123.11714	4.0
125.06046	1.7
125.09624	3.6
127.03941	1.4
129.07014	4.7
130.07816	1.3
131.08571	19.6
133.06529	4.3
133.10133	25.0
133.11082	2.1
135.08051	6.6
135.11694	8.0
137.06007	1.9
137.09613	4.1
137.13255	1.7
139.07553	1.0
141.07005	2.2
142.07857	1.1
143.08568	4.5
144.09358	1.3
145.06511	2.3
145.10135	19.9
147.08055	4.6
147.11711	13.3
149.09625	7.7
149.13304	7.3
151.07433	1.4
151.11188	8.3
153.01888	1.3
153.05498	2.4
155.08542	2.0
157.10136	5.0
159.08069	3.9
159.11674	12.4
161.09650	5.0
161.13257	4.5
163.11150	9.3
163.14833	1.5
169.10095	2.1
171.11746	4.7
173.09685	3.1
173.13327	7.7
175.11205	4.3
175.14851	1.5
177.09021	1.6
177.12808	2.7
179.14355	1.8
181.04919	1.2
183.11749	3.0
185.13379	1.5
186.04114	1.1
187.11259	2.5
189.12746	1.5
191.14287	2.8
193.12398	1.2
197.13203	1.7
199.14819	1.5
201.12784	4.1
207.13850	4.2
215.17943	1.5
219.13754	2.4
229.19450	2.6
231.17470	1.4
233.19063	2.1
239.17986	5.0
247.20569	5.0
257.19034	16.8
272.25049	1.1
275.20081	100.0
276.20361	2.4
285.10022	2.9
293.21103	7.6
331.22748	2.4
349.19751	2.2
349.23785	35.4
349.30853	1.6
355.32761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	19.0
55.01877	15.8
55.05511	33.5
56.96553	3.8
57.03437	18.8
57.07083	2.7
65.03948	4.4
67.05508	74.2
69.03428	4.2
69.07071	66.7
71.04999	5.6
71.56403	2.3
79.05494	68.6
81.03423	32.1
81.07057	100.0
83.04979	16.8
83.08610	14.5
85.02905	3.9
85.06541	6.3
91.05481	75.8
93.07043	67.1
95.01332	21.9
95.04974	29.3
95.08607	61.3
97.02900	3.1
97.06538	34.3
97.10153	5.7
98.97532	1.8
99.08096	2.6
103.05491	3.9
105.04579	2.7
105.07033	90.4
107.04961	42.2
107.08595	42.7
109.06525	11.0
109.10153	19.1
111.04435	2.6
111.08067	5.1
113.09659	3.9
115.05460	3.5
117.07018	25.6
119.05022	1.7
119.08586	52.9
121.06506	9.9
121.10155	16.6
123.04442	4.7
123.08035	10.2
123.11709	5.9
125.05993	2.7
125.09669	3.4
127.03941	2.2
129.07028	5.6
131.08568	36.5
133.06442	4.5
133.10132	59.7
135.08066	8.0
135.11696	16.7
137.05911	1.8
137.09636	5.1
141.07019	3.7
143.08598	5.6
145.06487	5.9
145.10132	27.4
147.08025	3.1
147.11693	24.1
149.09630	13.3
149.13266	11.9
151.07523	2.5
151.11217	4.9
153.05490	3.5
153.09167	2.2
154.07800	2.3
155.08562	4.2
157.10132	5.5
159.08032	2.6
159.11676	24.0
161.09644	2.2
161.13297	7.5
163.11215	8.3
165.09155	3.9
167.03421	2.6
169.10176	4.9
171.11703	5.5
173.13272	7.7
175.11162	2.7
177.12779	9.0
179.14311	25.4
185.13242	2.1
187.11214	10.1
187.14821	2.9
189.12791	3.0
195.13722	2.9
197.13342	4.3
205.12250	2.1
219.13779	2.5
229.19534	3.6
239.17957	5.1
247.20598	3.4
257.18997	9.1
257.26520	2.9
267.09015	4.2
269.10629	3.2
275.20059	67.3
285.10144	5.3
331.19131	2.5
331.22806	3.6
349.16702	2.0
349.20493	3.4
349.23886	42.5
349.31329	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2011
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
53.03949	0.3
54.57833	0.2
55.01870	0.5
55.05513	8.0
57.03436	0.4
57.07079	2.3
66.37994	0.3
67.01862	1.0
67.05507	3.2
68.92999	0.2
68.99776	1.5
69.03426	1.1
69.06721	0.4
69.07072	7.0
70.13998	0.5
71.08631	1.5
73.32092	0.2
79.05495	2.4
81.03419	0.4
81.06592	0.3
81.07057	4.1
83.04965	0.6
83.08133	0.5
83.08620	6.9
85.06532	0.7
87.69567	0.2
91.05488	1.8
93.07043	2.7
94.39084	0.3
95.04964	0.8
95.08615	3.9
97.02860	0.3
97.06546	1.3
97.10172	7.9
98.21398	0.4
105.03379	0.6
105.07030	1.2
107.04958	0.4
107.08598	2.9
109.06508	1.1
109.10134	1.8
111.04493	0.6
111.08067	0.4
111.11739	1.6
119.08580	1.0
121.10146	2.3
123.04453	1.0
123.08047	1.8
123.11719	0.8
125.06010	0.7
127.03924	7.7
131.08578	0.6
133.10130	0.7
135.08063	0.4
135.11729	0.7
137.09641	0.3
137.13206	0.4
139.03917	1.4
139.07530	0.4
145.10141	0.7
147.11723	0.9
149.13293	0.5
151.03911	1.0
153.01834	100.0
154.02187	0.8
157.10231	0.3
159.11690	0.6
163.14828	1.4
167.03407	5.5
167.07033	0.3
169.04985	2.3
179.14357	1.6
179.17990	0.9
181.04996	0.4
181.16029	0.4
195.02905	10.1
197.19017	3.0
223.16968	1.1
275.20142	0.4
331.18994	0.5
331.22684	0.3
349.20132	5.6
349.23785	1.3
349.27209	2.8
349.31326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01879	2.1
55.05515	19.5
57.03437	4.7
57.07081	17.6
67.05168	2.7
67.05510	44.3
67.17399	1.9
69.07068	20.9
69.58138	3.4
69.58552	10.6
71.04981	4.2
71.08623	2.8
79.05495	36.0
81.03400	2.9
81.07059	68.2
83.01332	2.5
83.04955	6.8
83.08618	13.0
85.06560	12.4
91.05483	23.7
93.06473	2.6
93.07045	40.8
95.04977	6.2
95.08611	61.5
97.06536	13.7
97.10172	4.7
98.20966	6.5
99.04439	2.3
99.08042	2.2
105.07037	23.0
107.04984	3.6
107.08597	36.5
109.06520	8.2
109.10139	19.9
111.08073	6.8
117.07039	11.0
117.07739	2.3
119.08611	14.1
121.06529	5.5
121.10160	24.0
123.04424	5.8
123.08057	6.9
123.11695	9.2
125.06007	4.0
125.09605	2.7
129.07069	2.5
131.08572	28.0
133.06479	2.7
133.10115	10.5
135.08049	5.3
135.11684	7.2
137.05952	9.6
137.09648	3.2
137.13240	2.6
139.41469	2.3
141.05475	40.3
145.10152	10.8
147.11737	15.3
149.09621	4.4
149.13293	13.3
151.07530	5.7
153.01712	2.3
153.05472	40.0
155.07040	3.3
159.11708	2.7
161.13203	6.7
163.11157	3.4
163.14819	14.5
165.05438	2.5
165.12767	2.9
167.03406	100.0
167.07019	4.2
169.04979	6.9
173.13271	29.2
177.05496	3.0
179.07002	7.0
179.14282	5.0
181.04927	9.0
184.64091	2.4
191.14229	6.0
209.15384	9.3
229.19586	2.0
275.20050	4.1
299.91138	2.0
303.23157	10.0
331.19131	6.9
331.29712	2.9
349.19931	6.8
349.23822	7.3
349.27402	4.9
349.31100	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	349.2009
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
54.79152	0.3
55.01869	0.4
55.05505	2.4
55.79552	0.3
57.07078	20.5
66.10716	0.3
67.01867	2.1
67.05503	9.5
68.99780	0.8
69.03426	1.0
69.07055	1.5
71.03023	0.8
71.08633	19.6
73.06585	0.4
77.17838	0.3
79.05505	2.9
81.03419	1.0
81.06577	0.6
81.07059	11.9
83.01334	0.4
83.04959	1.1
83.08600	1.1
85.06554	0.4
91.05474	0.9
93.07053	3.7
95.08616	3.8
97.02912	0.5
97.06538	0.4
97.10167	0.8
105.07016	0.7
107.04965	0.4
107.08551	2.1
109.02869	0.7
109.10178	1.6
111.00802	0.9
111.04436	1.3
119.08603	0.8
119.97132	0.4
121.10127	4.0
123.11716	3.2
127.03919	38.3
133.10115	0.6
135.11691	1.3
139.03903	0.9
141.12746	17.7
153.01833	100.0
154.02138	1.2
155.17966	0.3
171.02858	0.5
177.16380	4.1
179.17940	1.1
187.14853	1.1
191.07025	2.5
205.15889	0.5
209.08095	12.4
221.15381	0.5
223.16954	0.6
235.93539	0.4
303.07886	0.3
331.19000	1.1
349.20126	3.1
349.23743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19827	1.3
53.03954	1.5
55.01882	1.9
55.05507	5.9
57.07078	7.3
65.03942	1.3
67.05507	30.6
69.03459	1.4
69.07072	11.0
69.58717	1.3
71.16540	2.2
79.05493	26.5
81.07056	31.6
83.01347	3.1
83.04991	6.6
83.08615	3.5
85.06488	1.5
85.10190	13.7
91.05490	7.4
93.03368	1.3
93.07047	44.0
95.04981	4.3
95.08617	13.6
97.06537	3.4
105.07044	5.2
107.04957	2.2
107.07874	1.9
107.08591	26.2
109.06538	1.8
109.10192	4.1
110.10277	1.4
111.04462	10.3
111.08065	3.0
113.09658	12.7
117.07058	2.5
119.08583	4.7
121.06521	2.4
121.10147	12.0
123.11716	1.7
125.06052	2.9
131.08530	5.9
133.10115	2.0
135.08075	2.3
135.11684	2.7
137.06004	3.4
139.07570	4.9
145.10104	2.8
147.11737	2.3
149.13260	83.4
150.13680	1.7
151.07564	1.5
153.05551	2.1
153.12769	1.8
154.12042	1.5
155.07004	10.5
159.11760	4.5
166.02625	4.1
167.07060	5.5
167.14336	2.7
177.12743	9.8
178.06355	1.4
181.04967	100.0
182.05325	1.5
184.03699	4.0
191.07056	2.0
193.08635	2.7
195.13837	11.5
203.06992	1.5
219.10153	9.9
221.08168	2.4
237.11215	1.7
260.14008	1.2
266.19254	1.4
273.15018	1.5
275.20059	2.0
331.19055	17.2
349.20117	16.7
349.23975	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05513	4.8
57.03434	0.4
57.07079	1.9
59.05002	0.3
66.15171	0.2
67.01852	1.0
67.05505	4.7
68.99775	0.8
69.03432	0.6
69.07072	3.0
70.18884	0.6
70.19272	0.5
71.04989	0.7
71.08620	0.4
77.45214	0.3
79.05496	5.3
81.07057	8.0
83.01314	0.3
83.04974	0.8
83.08617	3.2
85.06523	0.9
91.05477	1.3
93.07050	6.2
95.08609	6.9
97.02871	0.6
97.06532	3.9
97.10169	2.6
98.21071	0.7
99.08125	0.4
100.74857	0.3
105.07014	1.3
107.08595	5.3
109.10153	2.4
111.04472	0.3
111.08057	0.8
111.11776	0.3
116.14472	0.3
117.07009	0.3
119.08603	0.5
121.10153	6.5
123.08021	0.3
123.11687	1.0
125.05989	0.9
127.03918	7.0
131.08551	0.4
135.07985	0.3
135.11673	1.2
139.03944	0.6
145.10204	0.4
147.11815	0.3
151.03926	0.8
151.07552	0.3
153.01831	100.0
154.02126	0.9
161.13249	0.3
163.14813	7.0
167.03461	0.6
168.94347	0.3
169.04959	1.9
177.16441	0.5
179.17955	1.1
181.04887	0.3
181.15868	1.3
195.02930	0.9
197.19032	4.6
205.15912	0.3
205.41905	0.3
223.16956	1.0
233.23996	0.3
245.13016	0.3
273.04172	0.3
292.27505	0.3
331.19141	1.6
349.20169	2.7
349.23837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
53.03939	2.2
54.35713	1.5
55.01866	2.6
55.05503	8.9
57.03423	4.0
67.01871	1.8
67.05170	2.3
67.05505	31.3
68.99781	3.2
69.03419	3.3
69.07070	7.6
71.05001	2.0
79.05049	2.2
79.05491	28.2
81.06577	2.7
81.07060	53.2
81.69775	1.2
83.04985	2.3
83.08617	3.9
83.60050	1.3
85.06571	1.8
86.61034	1.3
91.05489	14.0
93.07046	33.5
95.04942	2.8
95.08612	29.9
97.06510	2.7
97.10117	1.5
98.20739	4.1
98.21461	5.3
99.08097	12.2
105.07028	11.9
106.12958	1.4
107.04987	1.3
107.08600	21.2
107.64375	1.3
109.06522	2.2
109.10155	12.7
111.00800	2.8
111.08076	3.1
113.09630	2.1
117.07027	3.3
119.04926	1.5
119.08575	9.2
121.06519	1.4
121.10144	18.6
123.04398	1.9
123.08051	1.4
123.11724	4.3
125.09602	2.4
127.03918	19.7
131.08521	7.7
133.10101	6.4
135.08052	3.8
135.11707	3.0
137.05956	3.0
137.09630	2.0
139.03899	26.9
139.11147	3.3
145.10112	5.3
147.11685	3.6
149.09621	3.7
149.13258	3.3
153.01830	100.0
153.05446	3.8
153.09056	1.5
155.03383	1.6
155.07037	2.8
159.11751	2.9
161.13286	12.1
163.03831	3.8
163.14838	16.8
165.05470	7.8
167.03336	1.5
167.07007	2.6
177.16364	2.6
181.04942	17.1
187.14842	12.2
189.54906	1.5
191.07024	3.2
193.04924	1.4
193.08597	2.5
195.06506	2.7
205.15846	7.2
223.16919	9.2
233.62457	1.5
257.11719	1.7
275.20041	2.6
313.17868	3.7
331.18967	6.5
349.20093	8.9
349.23953	2.6
349.34125	2.9
367.76910	1.3
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	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
53.03943	2.8
55.01873	4.5
55.05514	9.5
57.03428	3.3
57.07067	6.5
61.67443	2.0
65.03918	2.1
67.05507	22.1
69.03423	2.1
69.07079	10.1
70.46876	3.7
71.04980	2.8
71.08631	4.7
79.05500	26.3
81.03442	2.2
81.07063	27.9
83.01343	3.8
83.04974	3.8
83.08638	3.1
91.05493	19.4
93.07054	41.9
95.04991	8.3
95.08625	13.0
97.06499	3.0
98.21121	3.0
105.07028	11.3
107.04986	3.9
107.08611	18.2
109.06512	4.4
109.10156	5.7
111.08098	2.1
117.07008	4.9
119.08593	5.6
121.06515	3.6
121.10134	5.4
123.08075	2.0
123.11678	1.8
125.05968	2.1
131.08583	3.1
133.06567	1.8
133.10173	7.9
135.08035	2.2
135.11693	29.4
137.06030	4.1
138.03125	3.5
141.12723	2.1
145.10194	2.1
149.09633	1.8
149.13258	7.6
151.07555	2.3
153.01860	14.7
153.05484	2.3
155.07047	21.5
159.11697	5.3
166.02660	4.2
167.03392	1.9
167.07056	21.1
177.12770	9.7
179.06985	2.2
181.04977	100.0
181.08499	4.0
182.05432	1.9
184.03662	4.5
191.07076	6.3
193.05026	4.2
193.08589	5.9
195.10123	1.7
195.13844	3.2
209.08121	12.9
243.79221	2.0
249.11095	2.0
275.19989	5.0
283.15659	2.2
313.17914	3.4
331.19263	11.6
349.20099	12.9
349.23837	4.1
349.34045	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
55.05516	3.7
57.03437	5.1
57.07079	21.5
61.67831	2.9
67.05505	18.5
68.99790	2.9
69.07070	6.1
69.73711	2.4
69.74050	18.0
71.08629	9.7
79.05495	31.9
79.98451	2.9
81.03423	3.6
81.07056	19.7
83.08612	6.5
85.10188	59.3
91.05485	6.4
93.07038	24.5
95.04973	6.9
95.08606	20.7
97.06513	4.5
98.21071	8.1
99.08092	10.3
105.07015	3.4
107.08596	14.1
109.10164	4.2
111.08102	6.7
113.09653	100.0
114.20729	2.9
117.06994	3.0
121.10126	11.7
127.03919	70.1
131.08530	5.1
133.09991	2.7
134.07458	2.6
135.08087	3.2
135.11714	5.6
139.03888	8.0
141.12755	3.2
149.09648	4.6
149.13242	5.9
153.01842	98.7
155.07063	7.2
155.10675	23.9
177.16335	5.2
181.04913	13.3
187.14825	6.7
195.17458	77.6
203.06995	11.6
205.15860	11.6
223.16940	30.4
319.45065	3.4
336.92487	2.7
349.19788	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	349.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97064	0.5
53.03954	0.8
55.01867	1.3
55.05513	2.7
57.07050	1.0
65.86499	0.7
67.05508	4.1
69.03429	0.9
69.07070	9.8
69.77841	3.3
71.04989	1.1
73.02886	0.6
77.03927	0.9
79.05495	13.3
81.03430	1.3
81.07056	10.7
83.04980	4.8
85.06539	1.7
91.05486	35.5
93.07047	12.1
95.04974	8.1
95.08608	2.6
98.20761	0.9
98.21333	1.5
98.34364	0.5
105.07037	39.9
107.04965	2.2
107.08596	6.8
109.02853	1.0
109.06524	11.9
109.10158	1.7
115.72676	0.6
117.06983	1.6
119.04953	2.2
119.07784	1.0
119.08588	14.1
120.99554	1.7
121.06519	0.9
121.10152	1.7
123.08099	1.7
123.11701	4.1
125.05970	4.4
129.07047	1.1
131.08572	9.6
131.72404	0.6
133.06514	2.2
133.10135	100.0
134.10484	1.3
137.05969	6.9
145.10150	1.9
147.04388	4.7
147.11697	21.8
149.09601	1.8
151.07556	2.6
151.11191	18.9
151.12112	0.4
155.07008	5.1
157.07620	0.7
157.10155	1.9
165.09079	0.8
165.12787	1.8
169.08594	1.0
173.13417	0.7
175.11180	10.3
177.05469	0.7
193.12250	26.0
203.08159	3.3
211.13286	4.3
254.34538	0.6
331.12253	2.5
331.20209	1.0
349.12860	1.4
349.17166	0.9
349.21292	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	349.1494
Annotation	Phyllaemblic acid B
Peak:m/z	Relative Intensity
51.03070	0.8
51.08187	0.8
53.00325	0.8
53.03940	1.5
55.05514	6.8
57.03436	5.3
59.04986	3.4
61.02927	1.2
64.72367	0.8
69.03432	100.0
71.04984	3.5
71.56656	1.1
72.08123	0.9
73.02927	1.4
73.06554	7.1
79.05482	1.1
81.03416	11.5
81.07031	0.9
83.04988	14.8
83.06072	1.3
84.04469	1.6
85.02911	13.2
87.04472	42.9
91.05462	1.7
97.02890	11.4
98.97544	1.1
99.04457	8.4
101.06009	3.3
105.05518	7.2
109.02866	7.2
113.02323	1.1
115.03940	18.4
117.05475	1.8
123.04385	0.9
123.06476	1.1
125.02336	2.8
125.05983	1.0
127.03893	8.2
129.05476	3.3
130.06534	5.0
131.08534	4.1
132.04471	1.6
133.04968	37.3
143.03374	1.4
145.04958	2.7
145.10185	1.0
147.06480	4.1
149.95789	0.9
153.01808	3.7
157.07587	3.3
158.06020	1.1
167.03366	1.3
169.05006	1.8
172.98528	0.9
173.04491	2.1
175.08710	2.5
199.09645	1.0
201.07744	0.9
207.87286	0.9
213.07533	2.5
229.05025	1.2
246.12674	0.9
257.04568	1.1
257.09094	1.0
260.10388	1.4
278.11258	0.9
285.03973	4.0
313.12805	1.5
331.04388	1.5
331.13901	8.9
349.03320	2.0
349.14917	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
56.96572	6.2
57.03448	1.1
69.03426	9.4
70.45496	3.2
79.01866	1.9
81.03416	1.9
82.99857	1.5
84.08121	1.8
85.02905	7.5
86.99335	1.1
87.04472	1.1
97.02892	3.7
98.21149	1.6
98.97581	6.5
99.04473	0.9
101.00890	8.7
105.00331	1.6
107.80730	1.0
109.02878	1.8
110.97568	0.9
112.99149	1.0
115.02460	0.9
116.98615	2.8
119.01932	18.5
122.06004	0.9
123.06378	1.0
125.02351	1.3
127.02448	1.3
127.03880	2.1
128.98645	2.1
131.01907	4.8
133.03473	1.9
134.99672	1.7
136.06186	1.7
137.02946	1.8
137.06572	1.6
141.03987	1.9
143.00186	2.3
143.01910	27.3
143.03096	1.7
143.03516	1.1
145.03468	9.1
145.04796	1.4
146.99652	1.2
151.46426	0.9
153.01825	19.3
153.02965	1.6
155.01903	7.1
157.03459	2.4
158.99684	1.6
159.05048	6.2
161.01436	2.0
161.02963	40.8
163.04514	3.3
167.05486	1.2
169.03471	21.5
169.06891	1.7
171.05061	2.2
173.02960	9.1
173.06302	0.9
174.99118	5.1
177.05945	1.4
185.02913	3.2
185.06596	10.0
187.04526	100.0
188.04912	1.4
190.31487	0.9
191.04030	1.8
193.00192	4.5
197.25275	0.9
199.04500	2.2
201.02339	1.4
201.06061	9.5
203.04021	10.5
203.07773	1.4
205.05612	3.6
210.06184	2.7
211.00945	1.8
211.04549	1.0
215.04079	0.9
217.05495	2.4
219.01784	2.4
221.04930	4.3
229.05597	48.0
235.01079	1.1
235.07054	1.0
237.02795	2.7
243.07231	2.2
245.05070	3.2
247.06720	9.0
257.00992	0.9
261.08356	5.2
263.06180	11.9
271.06400	1.9
277.03586	1.4
285.04523	1.1
289.07690	8.8
303.01343	3.0
303.07504	1.2
307.08835	3.0
321.08627	1.1
349.09964	14.1
349.14090	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01851	0.6
55.05497	2.7
57.07066	0.7
67.05513	3.3
69.03422	1.2
69.07075	5.8
69.40266	5.5
69.71174	0.6
71.04996	0.7
73.06544	0.9
79.05499	10.3
81.03423	1.0
81.07064	6.8
83.04977	3.8
83.08575	0.7
85.06545	1.5
91.05481	33.6
93.07040	6.8
95.04982	5.2
95.08593	1.3
98.21452	1.3
103.05478	0.8
104.97333	0.8
105.07035	36.9
107.04958	1.7
107.08601	3.4
108.08044	0.7
109.02836	0.7
109.06526	5.5
117.07020	1.0
119.08598	13.5
121.10210	0.8
123.11709	1.9
125.06013	3.1
127.03908	0.7
128.06204	0.6
129.06984	0.9
131.08562	7.8
133.10133	100.0
134.10480	1.2
137.05963	5.8
147.11691	22.8
147.78406	0.8
149.09631	0.9
151.07568	2.7
151.11186	10.9
155.07050	2.8
157.10135	1.1
158.45872	0.7
165.12773	1.1
175.11186	9.8
187.10921	0.6
193.12250	29.8
207.97781	0.6
211.13286	1.6
266.33014	0.7
273.39548	0.7
282.44617	0.6
299.25714	0.6
305.07507	0.6
331.12354	1.9
349.12936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66341	0.8
63.02393	1.2
68.99791	1.4
69.03430	14.9
69.50096	4.7
71.04971	1.6
79.01855	6.4
79.18467	0.8
81.03413	2.2
83.05011	1.1
85.02934	0.8
97.02895	34.0
105.07050	1.2
109.02883	1.6
115.05476	1.6
117.07035	1.2
119.08539	0.9
121.02855	0.9
123.04498	1.3
125.02361	41.7
127.03899	1.3
131.04965	0.8
137.02350	1.4
141.05481	27.0
145.06502	2.2
153.01834	40.4
155.04935	2.2
160.05302	0.9
161.05911	0.8
167.03415	15.3
171.02898	8.5
171.04405	2.6
173.06041	1.5
181.01341	10.9
183.04335	0.8
185.05957	1.1
186.03189	1.9
187.03975	1.2
199.03954	1.1
201.05469	9.3
209.00826	12.2
211.03833	1.0
214.02637	2.3
215.03412	1.5
216.04210	2.6
217.04982	2.2
229.04961	30.5
230.05788	1.1
231.06505	2.0
234.98981	1.3
241.04993	3.6
242.02094	7.6
243.02924	1.7
257.04483	23.9
269.03931	1.0
270.01523	4.2
271.02328	3.8
272.03076	0.9
275.05618	1.4
285.03949	100.0
286.04312	1.7
289.34360	0.8
303.04965	7.1
317.02924	7.1
331.04501	54.3
349.05487	4.3
349.09531	1.1
349.13782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65422	1.2
55.01866	3.2
56.96557	4.7
57.03452	3.2
58.99863	1.8
61.02918	6.1
68.98294	1.9
69.03437	11.5
70.06581	1.8
71.61535	1.5
73.02920	4.9
77.00906	2.9
79.01859	2.6
81.03420	4.7
81.07072	1.6
82.99854	4.0
84.08125	1.9
85.02909	21.3
85.06525	3.2
86.99353	3.3
90.58502	1.4
97.02879	11.5
98.21110	11.1
98.97585	9.2
99.04437	2.9
101.00887	46.0
105.00380	2.6
109.02872	4.1
110.97590	3.3
113.00869	15.9
115.02420	5.5
115.03902	2.1
116.98624	4.7
119.01928	100.0
121.01660	2.1
121.25347	1.4
126.98725	1.6
127.02441	2.9
127.03906	6.4
128.98598	3.2
131.01913	74.7
132.02107	1.7
133.03482	17.1
134.02257	2.4
136.06255	2.3
137.02953	9.6
142.03438	1.8
142.08664	1.6
143.01895	19.1
143.02892	2.0
144.99835	6.2
145.01663	1.8
145.03485	13.6
145.04971	4.2
147.01425	1.4
149.02985	12.5
151.04555	2.2
153.01830	18.4
153.02995	2.5
154.03479	2.6
155.01869	19.5
155.02913	1.6
157.03464	7.1
157.17514	1.5
158.99692	3.4
159.05043	2.2
161.01614	2.5
161.02960	23.4
162.03140	1.6
167.07074	5.9
168.99837	32.5
169.03513	3.1
169.06885	2.7
171.05026	1.9
172.99364	4.5
173.01424	2.2
173.02957	35.6
175.04549	5.2
177.02582	2.8
177.04144	6.9
177.54411	3.1
180.99838	10.1
185.02959	9.6
186.04721	4.5
186.54919	2.1
186.99226	1.3
187.00890	38.8
187.04468	9.4
187.07910	2.7
191.00476	2.1
191.04016	3.1
193.00276	2.2
195.03438	1.9
196.99332	22.7
197.03011	2.8
199.00900	18.9
200.01009	1.9
201.02403	8.9
201.05920	1.7
203.04024	8.7
205.01961	3.2
211.00966	2.0
213.02460	5.7
215.00377	78.2
216.00583	2.3
217.01978	2.5
219.01700	2.9
219.03458	7.5
221.05070	9.6
227.00368	4.6
228.03911	7.5
229.01935	38.1
229.05579	4.1
231.03525	11.3
233.01385	4.2
238.01952	3.9
239.06117	7.4
241.01923	12.0
245.01424	5.3
245.05206	7.3
246.05403	1.8
247.03011	90.0
248.03250	2.5
249.04639	2.6
253.02017	2.3
257.01294	1.8
257.04694	1.7
257.18527	1.7
259.02975	26.3
259.05661	1.9
259.06763	2.8
263.06134	2.1
267.07343	1.9
267.57254	3.6
268.07355	2.7
270.04504	3.5
277.03934	5.9
285.03995	3.6
289.04181	18.4
303.01318	5.4
303.19153	2.6
307.05099	2.2
317.03586	11.0
331.04825	2.3
332.94150	1.8
349.05887	8.8
349.10947	38.7
349.19876	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	347.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
57.07072	3.0
67.05515	7.6
69.03425	2.5
69.07073	10.3
69.82155	1.4
71.04971	2.2
71.08639	1.9
79.05482	6.3
81.03433	3.5
81.07067	18.1
83.08624	5.8
83.13985	1.7
85.06536	2.5
91.05471	4.8
93.07062	8.6
95.04987	3.3
95.08598	17.1
97.10160	3.0
98.21303	6.9
103.05461	1.8
105.07043	5.9
107.04958	3.5
107.08607	7.1
109.06520	2.2
109.10146	9.1
111.11733	3.2
115.05386	1.4
118.27674	1.5
119.08589	4.1
121.02917	2.2
121.10180	7.1
123.04414	4.3
123.11725	3.7
125.05974	1.8
125.39484	2.0
129.07076	1.8
131.08594	2.9
133.02850	1.8
133.10133	3.2
135.11655	2.4
137.02330	3.1
137.06073	2.0
137.13280	3.3
139.03891	6.4
145.10091	2.6
147.04465	1.8
149.13266	5.0
151.07521	2.4
151.14793	2.0
153.01845	13.4
153.05486	5.4
154.06155	1.7
157.10083	2.4
159.11769	1.8
161.05963	1.7
163.14896	1.7
165.01862	4.2
167.07121	2.6
167.14310	2.6
181.05000	3.6
183.02904	3.1
191.07088	4.4
193.12277	3.3
195.06570	6.0
213.05365	1.6
216.04274	1.6
217.41077	1.4
229.04889	4.4
230.05728	1.8
243.02890	2.3
244.03625	3.6
257.04507	2.1
258.05176	10.4
259.06058	5.0
269.04626	1.7
273.11349	2.9
285.03970	4.2
286.04810	9.1
287.05588	11.3
291.08603	3.0
293.28555	2.0
300.02444	2.0
301.10699	3.2
303.05035	5.8
315.05179	2.4
315.11578	1.9
329.13895	3.8
329.21207	1.9
331.04477	10.2
332.05338	4.2
347.07620	100.0
347.22168	3.0
348.08014	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	347.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01856	7.0
55.05504	18.0
56.95926	5.0
57.03429	4.6
57.07062	14.1
65.75754	4.3
67.05504	47.2
69.03451	5.0
69.07064	43.3
71.08650	5.4
71.58279	5.7
75.00678	4.4
79.05500	42.5
81.03424	34.2
81.06577	6.1
81.07056	100.0
83.04981	12.3
83.08615	32.0
83.09023	5.7
85.02914	6.4
85.06550	12.8
91.05500	41.3
93.07045	47.6
95.04985	23.8
95.08611	76.2
97.06532	5.9
97.10179	7.8
99.08091	10.9
103.05453	5.2
105.07034	34.8
107.04974	9.5
107.08590	41.0
109.06508	9.2
109.10169	36.2
111.08102	10.7
111.11748	8.4
114.07438	4.3
117.06996	9.9
119.08571	21.1
121.06540	11.8
121.10155	22.7
123.08019	6.5
123.11700	19.3
125.05995	10.4
125.09625	11.9
129.07001	16.3
131.08569	11.1
133.06517	7.4
133.10118	14.1
134.10313	4.8
135.11716	8.6
137.05995	9.9
137.13261	15.1
141.05496	22.9
143.08575	12.8
145.10092	5.8
147.08127	7.6
147.11685	17.4
149.09666	8.1
149.13245	17.0
151.07529	15.5
151.14806	4.6
153.05438	25.5
155.14250	9.8
157.10063	4.7
159.11684	5.9
161.05838	5.1
161.13249	17.6
163.03964	5.7
163.11250	5.7
163.14891	5.2
167.03424	27.5
167.07056	45.3
171.11728	11.0
175.11221	5.8
177.05412	6.0
177.09093	7.4
178.06233	5.2
179.07022	4.3
181.05064	6.1
189.12791	7.1
191.07042	6.5
193.12215	28.3
203.10753	5.2
207.13860	4.4
240.39444	4.5
273.18536	5.0
277.85052	4.8
281.28375	8.0
293.28378	7.3
305.13812	5.1
311.29688	4.6
315.11493	5.4
329.17288	4.8
329.20978	11.4
347.14737	12.2
347.18637	10.3
347.22189	14.9
347.25708	6.1
347.29379	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	347.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01868	1.9
55.05511	5.8
57.03423	0.7
57.07061	1.7
65.03942	1.0
65.88567	0.3
67.05504	21.6
68.99775	2.7
69.03416	0.7
69.07063	6.3
69.12310	0.4
69.77602	1.5
69.78013	0.7
74.39480	0.3
79.05497	4.6
81.03439	0.4
81.07058	18.5
83.04967	1.4
83.08615	3.7
85.06525	1.2
91.05485	3.5
93.07044	4.9
95.04979	2.7
95.08608	14.0
95.09234	0.5
97.02869	0.4
97.06522	1.7
97.10159	1.0
99.08095	0.8
105.07036	2.5
107.04947	0.5
107.08597	3.3
109.06505	0.8
109.10162	7.4
111.04411	0.6
111.08061	0.7
113.09679	0.6
117.00421	0.3
119.04935	0.5
119.08559	2.6
121.06498	0.6
121.10139	1.7
123.04414	4.1
123.08059	1.0
123.11713	4.7
124.01554	2.0
125.05968	0.9
128.06183	0.3
133.06506	0.8
133.10130	3.1
135.11678	0.5
137.02376	0.4
137.06015	2.4
137.09607	0.5
139.03918	2.0
141.05466	8.8
147.04420	0.7
147.11636	0.9
150.00058	0.4
151.03947	0.7
151.07547	1.8
152.01039	2.7
153.05466	37.4
161.13303	0.5
163.07524	0.5
163.14796	3.0
165.05487	0.8
165.16432	1.3
167.03400	100.0
167.07040	2.9
167.14308	0.5
168.03773	1.2
169.04991	2.4
170.02094	2.4
177.05464	3.3
179.07037	8.6
181.15877	2.2
183.06516	0.4
189.16360	4.9
191.07024	1.0
193.04977	0.8
195.06528	5.0
205.08600	1.4
207.10178	11.1
207.17458	2.8
209.08131	1.7
217.08539	2.0
221.08214	0.5
221.11769	0.7
223.09615	0.8
231.10220	0.8
235.09674	0.5
245.11824	0.5
249.11479	0.4
249.14653	0.7
263.16379	3.6
329.21075	4.5
347.18588	1.5
347.22180	17.5
348.22128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54668	0.2
53.03944	0.4
55.01875	1.5
55.05508	2.6
57.03438	0.3
57.07078	1.3
65.03929	0.7
67.05505	10.0
68.05833	0.2
68.99785	2.1
69.06721	0.2
69.07073	2.8
71.04996	0.3
71.08624	0.6
71.57495	0.2
71.57900	0.3
79.05497	2.1
81.03419	0.5
81.07061	8.2
82.07379	0.2
83.04978	0.7
83.08627	2.1
85.06544	0.4
91.05486	1.8
93.07051	1.9
95.04976	2.1
95.08609	6.2
97.02875	0.4
97.06538	0.7
97.10162	0.8
99.04462	0.5
105.07015	1.1
107.04935	0.5
107.08609	1.4
109.06525	0.5
109.10161	4.1
111.04446	1.3
111.08125	0.3
117.07072	0.3
119.08566	1.4
121.06514	0.3
121.10167	0.9
123.04416	1.5
123.08070	0.6
123.11715	1.5
124.01566	1.9
125.06013	0.5
127.03899	0.3
131.08603	0.2
133.10124	1.2
135.11641	0.3
137.02324	0.3
137.05988	0.9
137.09650	0.3
139.03922	1.2
141.05466	3.6
144.10095	0.2
147.04439	0.2
147.11656	0.4
149.13232	0.6
151.07562	0.6
152.01036	2.7
153.05469	20.4
159.11734	0.2
161.13310	0.2
161.86057	0.2
163.14795	0.7
165.05521	0.6
165.16347	0.4
167.03404	100.0
167.14334	0.4
168.03728	0.9
169.04971	0.5
170.02122	3.0
175.11264	0.2
177.05489	1.7
179.07043	2.5
181.05031	0.5
181.08633	0.3
181.15923	0.4
183.40981	0.2
185.04482	0.5
189.09163	0.3
189.16386	1.4
191.07043	0.8
193.05026	0.5
195.06456	1.3
203.07076	0.6
205.08563	0.3
207.06523	0.4
207.10179	0.9
207.17436	1.4
209.08139	0.4
217.08646	0.9
231.10159	0.3
263.16431	0.4
273.18515	0.3
305.21152	0.7
329.21109	1.9
347.22162	14.3
347.29288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.258
Annotation	Volemolide
Peak:m/z	Relative Intensity
51.21400	2.6
53.03942	4.7
55.01868	9.9
55.05515	88.2
57.07087	14.0
63.46750	2.1
67.01860	8.0
67.05509	45.8
68.99796	25.2
69.03455	2.2
69.07072	100.0
69.30843	16.5
69.31258	5.2
71.08633	4.3
79.05495	15.4
81.03412	3.8
81.07060	56.8
83.04995	13.7
83.08625	44.8
87.00860	2.5
89.37035	2.5
91.05493	12.2
93.07055	24.8
95.04955	6.5
95.08613	60.0
97.02905	3.7
97.06532	38.5
97.10169	26.5
98.20826	7.7
98.21508	3.9
105.07056	12.7
107.04967	8.0
107.08589	18.2
109.06522	7.1
109.10152	24.3
111.00038	3.6
111.00809	69.6
111.04461	17.0
111.08086	8.9
111.11726	5.1
113.09206	2.3
119.08574	11.4
121.06506	6.1
121.10159	15.1
123.04479	3.4
123.08064	8.3
123.11756	10.5
125.06015	7.9
125.09617	6.3
126.03165	5.9
127.03917	28.2
128.09448	2.2
131.08588	5.0
133.10120	11.7
135.08073	6.3
135.11694	10.9
137.09630	4.6
137.13297	3.2
139.03908	51.1
139.07538	6.4
139.11153	3.3
141.05475	4.5
143.08560	2.8
145.10120	4.0
147.08057	4.9
147.11702	13.0
149.09601	3.3
149.13287	4.8
151.07527	5.8
151.14783	2.5
153.05475	10.3
153.09100	3.4
153.12836	3.2
154.21487	2.0
157.10077	3.0
159.11696	2.3
161.09688	3.9
161.13297	6.4
162.79343	2.8
163.11162	5.0
163.14806	5.6
165.05528	2.2
165.09096	6.2
167.03421	15.5
167.07047	8.0
167.10681	5.8
169.08614	2.4
171.10222	3.3
171.11653	2.9
175.14865	5.2
177.09149	3.7
179.06985	2.6
179.10732	3.9
181.08598	13.9
181.12277	4.3
185.11841	2.5
185.13249	3.5
189.12814	2.7
189.16360	3.5
193.08601	2.5
193.12425	3.6
195.10201	17.3
195.13783	4.1
199.14865	2.7
203.14331	2.9
207.10292	3.5
207.13948	3.2
209.11700	24.1
209.15358	4.9
221.11731	3.8
223.13298	30.3
231.13893	2.6
235.13261	5.3
237.14856	34.3
240.71028	2.3
245.22778	5.3
249.14867	8.7
251.16458	35.4
263.16446	16.6
265.17981	27.5
277.17938	21.0
279.19510	7.6
287.23700	2.9
291.19489	21.8
305.21030	6.5
305.24496	2.9
329.24829	4.1
347.22519	4.0
347.25827	92.5
348.26291	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Calycanthine
Peak:m/z	Relative Intensity
53.03947	1.0
55.01881	1.8
55.05511	5.6
57.07067	1.0
60.32053	0.4
65.03942	1.0
67.05508	17.4
68.99781	2.5
69.03420	0.5
69.06770	0.4
69.07074	4.8
69.36185	1.3
69.36614	2.0
71.04984	0.5
79.05489	4.3
81.03421	0.5
81.07061	16.0
83.04976	0.7
83.08624	3.0
85.06544	0.6
91.05479	3.6
93.07051	5.6
95.04975	2.5
95.08611	15.6
97.02928	0.5
97.06512	1.4
97.10153	1.0
98.20927	1.5
99.08077	0.4
105.07036	2.1
107.04916	0.4
107.08598	2.7
109.06470	0.5
109.10165	8.6
111.04445	1.0
111.08049	0.4
119.04945	0.4
119.08585	2.3
121.10163	2.0
123.04426	4.6
123.08064	0.7
123.11700	3.3
124.01579	2.2
125.05997	0.6
133.10120	2.9
137.05959	1.6
139.03929	1.8
141.05461	5.2
147.04359	0.7
147.11697	0.6
151.07544	1.4
151.11273	0.4
152.01047	2.9
153.05472	29.6
161.13235	0.7
163.07565	0.5
163.14828	4.6
165.05440	1.0
165.16373	1.0
167.03404	100.0
167.07079	3.2
168.03754	0.8
169.05017	2.0
170.02156	2.9
177.05469	2.6
179.07039	7.5
179.08543	0.6
181.04962	0.4
181.15898	0.9
183.06541	0.8
189.16374	4.5
191.07083	0.9
195.06540	7.6
205.08543	0.8
207.10159	6.6
207.17418	2.4
209.08028	1.2
217.08603	1.3
221.11748	0.9
227.18073	0.4
231.09987	0.5
233.11813	0.4
235.13153	0.4
245.11452	0.4
249.14835	0.5
263.16458	1.2
284.14600	0.4
320.22955	0.4
324.63834	0.4
329.21213	3.4
347.22174	10.0
369.48630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05505	0.5
62.22307	0.2
63.54125	0.2
67.05505	1.1
68.75095	0.2
68.99793	0.3
69.07049	0.5
69.50597	1.3
71.08594	0.3
79.05480	0.7
81.07066	1.4
83.01336	0.3
83.08638	0.2
90.91126	0.2
91.05484	0.5
93.07022	0.3
95.08594	0.7
98.21392	0.6
105.07008	0.3
109.06528	0.2
109.10135	0.3
119.08567	0.3
121.02868	0.2
121.10123	0.3
123.04395	0.6
123.11686	0.2
127.13773	0.2
139.03917	0.5
141.05482	0.2
145.10083	0.3
146.84709	0.2
150.03030	0.2
152.01099	0.6
153.01839	4.3
153.05490	0.8
163.03899	1.5
164.04723	0.5
165.05481	0.3
167.03452	1.4
167.07005	0.4
170.02095	0.7
177.05508	0.7
179.03439	1.0
181.04985	0.5
186.31625	0.2
191.03406	1.1
191.07137	0.3
192.04189	12.5
193.04921	0.5
205.04973	18.5
206.05759	7.8
207.06531	0.9
218.49944	0.2
219.06512	4.0
231.10246	0.3
233.08145	0.5
247.09691	0.7
252.51720	0.2
261.11249	0.9
275.12631	0.5
289.14386	0.8
303.15958	1.0
317.17529	0.7
320.56085	0.2
329.17465	0.9
333.79272	0.3
347.22171	100.0
348.22491	2.1
353.05228	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	347.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01864	3.7
55.05506	4.6
57.03435	6.6
57.07045	2.0
57.53410	1.8
58.05790	1.7
59.99173	2.0
65.03948	1.9
67.05498	5.8
67.69599	1.6
69.03429	10.5
69.07064	2.4
70.06546	1.9
71.04971	3.7
71.57869	2.6
73.39086	2.0
75.04495	3.7
79.05490	12.2
81.03421	4.9
81.07040	6.0
83.04980	15.0
85.02896	7.4
85.06548	19.0
91.05487	21.2
93.07042	11.2
95.04968	5.4
95.08629	2.2
97.02877	4.9
97.06506	2.0
99.04430	2.4
103.05448	3.7
105.07021	16.4
107.04968	5.2
107.08592	7.3
109.02876	4.4
109.06534	3.7
111.04400	3.0
116.06217	2.7
117.07007	8.1
119.04952	3.0
119.08578	5.7
121.06512	21.0
121.10128	7.4
123.04420	5.5
127.03915	4.7
129.06996	5.7
130.07753	3.0
131.07063	3.7
131.08571	68.1
134.03641	3.3
135.04338	2.3
135.11629	2.4
137.05968	16.2
137.09567	2.2
138.05519	2.6
139.03883	2.6
139.07539	3.0
141.07011	2.4
143.04863	1.9
145.06522	2.8
145.10123	40.3
147.11678	2.6
148.05121	2.4
149.06003	29.2
149.09587	13.3
151.07529	19.1
152.06224	6.5
153.05704	3.7
153.06984	28.3
163.11205	9.6
165.07018	6.2
167.07071	3.0
167.08592	4.7
167.10695	7.7
168.05707	2.3
169.06415	11.3
170.07196	4.1
173.04555	2.6
173.09619	3.5
173.13232	2.2
175.07491	3.0
180.05679	2.9
181.06485	33.9
182.07245	3.6
183.08026	4.4
185.11803	2.8
187.07613	3.2
191.10692	26.8
192.08824	2.3
193.01341	4.3
195.02870	2.6
195.08031	7.1
196.05203	2.1
197.05992	17.8
198.06752	6.4
207.04349	11.7
209.06001	9.3
209.11668	14.5
209.15413	3.4
211.07578	19.1
211.09506	3.0
213.09093	25.4
220.08510	2.3
223.07549	2.6
225.05482	6.0
226.06184	3.1
227.10997	2.4
229.08577	3.5
233.88327	2.2
238.09386	2.3
239.06995	7.6
241.08597	28.5
243.06516	2.4
248.02911	2.5
257.08038	2.8
258.08896	70.1
271.09595	11.1
272.10443	100.0
273.11191	43.1
284.10001	4.1
301.12628	17.6
314.11642	4.3
329.10318	5.3
329.14053	3.5
347.13101	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1851
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
55.01876	2.3
55.05518	2.4
56.96555	2.6
57.03182	1.4
57.03439	18.3
57.04824	1.1
57.07075	1.3
65.03933	1.1
67.01848	2.1
67.05499	8.9
68.99792	2.1
69.03420	2.7
69.07050	2.5
69.82926	5.4
70.06586	3.3
73.02949	1.0
79.05495	14.8
81.03423	1.7
81.07060	9.9
83.04983	4.9
85.06539	3.6
88.07654	5.0
91.05482	15.7
92.11560	1.0
93.07038	9.7
94.37402	0.9
95.04935	1.6
95.08610	5.8
97.02911	2.1
97.06531	2.4
98.20831	2.1
98.21373	2.3
99.08097	1.9
102.09184	2.4
105.07032	14.9
107.04949	4.1
107.08588	14.4
109.06506	5.0
109.10152	2.8
111.08083	1.8
117.07002	1.8
119.04911	1.4
119.08574	13.0
121.06473	1.2
121.10147	5.0
123.04385	1.5
123.08085	1.9
127.03943	15.3
129.06985	3.1
131.08563	18.2
133.06468	1.5
133.10120	3.5
137.05989	1.8
137.09584	5.5
139.03905	18.7
143.08562	3.3
145.10194	1.2
147.07974	1.4
147.11659	11.6
149.09624	10.9
153.01828	100.0
153.05405	2.3
154.02158	1.4
157.10149	3.0
159.11736	2.2
161.13232	12.9
161.48860	1.0
163.03897	5.6
165.05487	3.9
165.12724	5.5
175.14857	5.4
181.04977	6.8
182.85016	1.1
185.13258	10.0
191.07220	1.2
193.08585	1.6
203.07137	1.7
203.14302	11.5
221.15369	8.4
223.27660	1.2
257.11768	1.3
261.96820	1.3
269.10623	3.4
281.10553	3.9
285.29779	7.0
287.11615	2.1
299.11707	1.8
311.16287	1.5
322.77609	1.1
329.17419	3.9
329.31949	1.2
347.18649	6.5
347.33429	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	347.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01624	2.0
55.01871	29.1
55.05507	7.1
57.07061	4.7
58.06593	1.8
63.01957	1.8
67.01844	2.3
67.05507	17.3
68.99778	3.2
69.03426	3.4
69.06718	3.1
69.07069	46.1
70.06589	10.6
70.76278	5.1
71.06926	3.3
71.08601	2.3
79.05495	21.1
81.03415	6.8
81.07066	20.5
83.04947	3.5
83.08601	3.0
85.02886	1.9
85.06576	1.7
88.07657	8.3
89.07984	2.9
90.54316	1.5
91.05474	17.1
93.07036	13.0
95.04985	9.1
95.05502	1.8
95.08607	16.0
95.53288	1.5
97.02869	4.3
97.06532	48.5
98.21310	2.1
102.09177	4.9
105.06393	2.1
105.07040	28.5
107.04935	3.2
107.08606	12.0
109.06530	7.7
109.10162	3.6
111.08081	2.2
115.07559	2.3
117.06988	2.4
119.08575	14.2
121.06507	1.8
121.10138	5.3
123.04424	6.6
123.08064	34.3
125.05999	3.2
125.09617	5.3
125.76804	1.8
127.03915	24.5
129.07005	2.5
131.08516	3.2
133.06471	4.9
133.10103	9.8
135.08032	4.1
137.05928	4.2
137.09602	4.9
139.03935	8.6
141.05461	2.1
143.08545	3.7
145.10139	3.9
147.08026	4.7
147.11691	10.5
149.09593	3.7
149.13216	4.1
151.07547	22.9
151.11191	2.5
153.01828	100.0
153.05443	3.5
155.07060	14.6
157.10089	2.3
159.11641	3.7
160.06314	1.8
161.09607	3.1
161.13246	5.4
163.03841	3.6
165.12746	2.5
167.07047	5.9
173.13208	1.9
175.11166	2.0
175.14851	6.5
181.04967	59.0
185.13261	5.9
191.06961	2.4
193.12285	3.6
193.15834	3.6
203.14339	11.1
209.70599	1.7
217.08604	6.2
218.33733	1.9
221.15367	29.1
233.08128	2.8
251.91287	1.7
273.18518	2.2
277.10703	3.3
285.29764	22.3
291.29562	1.6
314.86209	2.1
329.17447	5.2
329.21204	2.3
347.18451	21.1
347.22293	4.2
347.33490	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	347.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01886	0.5
55.05511	0.8
68.01421	0.6
69.03429	1.5
71.04996	1.1
71.09980	1.2
71.10329	0.5
73.06567	1.4
74.13062	0.5
81.03420	3.8
83.04984	1.7
85.02912	4.2
87.15463	0.4
91.05476	1.8
95.02458	21.8
97.02899	12.5
98.21110	0.7
99.04458	1.2
99.41579	0.5
105.07088	0.5
109.02885	3.1
113.03500	100.0
114.03848	0.9
117.07039	0.5
119.02023	0.9
119.08591	0.5
127.03931	9.5
129.06999	0.8
131.08595	8.8
143.01895	1.0
145.10136	2.6
149.05995	0.7
150.89133	0.5
153.01842	0.9
155.04509	2.7
161.02963	0.9
185.07904	0.6
191.10670	1.4
203.04010	0.6
221.05568	3.8
239.06644	28.6
257.07657	1.7
285.13120	3.3
287.11215	1.1
347.13116	28.1
348.13345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0762
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
52.14477	0.3
53.03946	0.4
53.32546	0.4
55.05506	0.5
56.10538	0.4
67.05497	1.0
68.99786	1.8
69.07057	1.4
71.57074	0.4
79.05481	1.3
81.07057	2.8
85.02935	0.4
91.05466	1.4
93.03432	0.5
93.07038	1.1
95.04971	1.0
95.08604	1.7
105.03394	0.8
105.07037	1.2
106.04202	0.5
107.04926	0.8
107.08575	1.4
109.02868	1.0
109.10164	1.3
111.00767	1.0
119.08602	0.6
121.02895	2.0
121.10131	1.1
123.11707	0.7
124.01640	0.4
125.05965	0.4
127.03838	0.4
129.06987	0.5
133.02841	1.0
133.10123	0.8
135.11703	0.7
137.02348	2.5
137.05949	0.6
139.03896	6.2
145.10176	0.5
147.04369	0.9
147.11639	0.5
149.13278	0.5
150.03139	0.9
151.03889	0.5
151.07449	0.4
151.11284	0.4
152.01257	0.5
153.01830	13.1
153.05469	7.1
154.06230	1.1
157.06482	0.7
161.05902	0.5
161.13245	0.6
162.06618	0.4
163.03940	0.9
165.01845	4.3
165.05493	0.4
166.02628	0.6
167.03534	0.4
173.13199	0.5
178.02606	0.7
179.03419	0.6
179.07123	0.5
181.04926	3.0
183.02933	1.6
184.05222	0.4
185.05989	0.7
189.12822	0.5
191.06982	1.1
192.04161	0.4
193.08630	0.5
194.02225	0.6
195.02904	0.4
195.06381	0.6
200.04625	0.4
201.05505	1.5
203.03363	0.5
205.05017	0.7
207.06473	1.4
213.05475	1.6
216.04263	1.9
217.04973	0.8
219.02846	0.5
228.04224	0.5
229.04962	4.3
230.05801	2.3
231.06554	1.6
233.04500	0.7
241.04988	1.3
243.02908	2.0
244.03690	3.2
255.02946	1.4
257.04428	3.4
258.05234	11.7
259.06076	3.7
261.03989	0.9
269.04449	3.0
272.03159	1.1
273.03857	0.6
273.11331	0.5
283.02408	1.1
284.03308	0.8
285.03964	4.1
286.04752	8.7
286.07730	0.3
287.05496	12.8
289.03430	1.3
291.08655	1.7
297.04095	0.6
300.02795	1.1
301.03448	0.9
302.04239	0.9
303.05038	5.9
313.03412	1.9
314.04184	2.7
315.04947	4.1
316.05606	0.5
317.02899	0.7
318.07327	0.5
329.13638	0.9
329.20850	0.6
331.04483	8.8
332.05234	2.9
347.07611	100.0
348.07907	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02056	4.7
55.01871	7.0
55.05513	25.1
56.88101	4.3
62.94936	4.9
67.05505	80.0
69.03432	8.3
69.07069	26.3
71.05001	9.1
79.05484	33.4
81.03384	5.5
81.07054	56.5
82.07415	5.6
83.04984	8.3
83.08620	17.5
85.06555	8.2
91.05488	27.3
93.07044	25.3
95.04965	10.7
95.08617	35.5
97.06563	7.3
97.10186	13.8
98.21070	4.8
98.30356	5.0
105.07021	24.3
107.04935	6.5
107.08598	42.6
109.10160	60.9
117.07012	7.9
119.08611	14.2
120.08956	5.0
121.06521	5.4
121.10174	17.5
122.10519	4.9
125.09663	16.5
131.04918	11.3
131.08623	7.9
132.05328	9.8
133.10156	18.3
135.08089	6.7
135.11751	7.0
137.09642	9.3
147.11691	7.5
149.09610	6.9
149.13226	8.6
155.10635	25.1
159.11726	8.9
160.48091	4.7
163.11159	6.0
173.11740	100.0
173.13162	7.8
175.07503	5.4
189.11324	8.7
191.07103	14.7
192.07440	12.5
195.13838	18.6
213.14948	8.5
226.09445	5.5
254.09138	5.9
268.10507	8.5
270.08636	7.2
275.20044	43.7
286.11572	10.8
287.05563	7.5
293.21219	8.9
296.09964	10.0
300.09479	10.4
301.10608	12.2
303.05023	5.7
312.28107	5.5
314.05902	5.5
314.11066	65.5
315.11728	7.8
346.13870	34.4
346.24414	5.7
347.07587	39.9
355.93091	5.7
369.50171	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	347.0739
Annotation	Limocitrin
Peak:m/z	Relative Intensity
51.21202	1.6
69.03430	2.6
70.02226	3.5
70.02649	5.2
73.02888	1.7
81.03401	2.0
85.02917	9.0
97.02888	2.6
98.20804	2.3
98.21323	2.5
103.47183	1.7
119.01963	1.9
126.18899	1.8
127.03920	3.9
143.01868	2.2
145.04921	2.1
146.02391	1.7
149.44669	1.5
161.02998	1.6
167.04617	1.8
176.06053	4.9
185.06505	2.4
310.46741	1.7
347.07349	100.0
348.07584	2.1
351.11432	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	347.0742
Annotation	Cassipourine
Peak:m/z	Relative Intensity
56.96566	6.3
57.03431	1.3
61.02919	3.5
69.03445	8.3
69.63486	1.2
70.06588	2.9
71.05000	1.5
71.56236	2.2
73.02916	3.1
81.03437	2.2
81.04535	6.1
84.04447	1.7
84.08125	1.9
85.02914	15.1
87.04449	1.5
95.02471	1.4
97.02906	8.0
98.20768	1.4
98.97587	11.2
99.04491	1.7
99.05564	1.4
101.00877	3.2
105.86352	1.2
108.08081	2.8
109.02877	3.1
110.97557	2.9
112.99139	2.9
116.98633	4.4
119.01921	5.7
127.02386	2.0
127.03897	3.9
127.04967	1.4
128.98640	2.5
131.00241	2.4
131.01910	2.8
133.03418	2.7
136.06204	15.8
138.05450	1.3
143.01910	2.4
145.03445	2.0
145.04974	2.6
146.99648	2.0
147.03253	1.6
148.03917	1.4
149.02939	1.3
152.06992	1.6
153.01874	1.9
155.00183	1.3
155.01826	2.5
157.03450	2.1
158.99637	4.2
161.01213	1.7
161.02943	4.3
163.04428	1.7
167.09045	2.6
170.99733	2.0
171.01347	1.6
173.01256	1.7
173.03027	1.9
174.81689	1.3
175.04468	2.4
176.05089	2.1
177.00783	2.4
177.02133	1.7
178.04987	3.3
184.09755	1.3
185.01295	2.2
185.05656	4.5
185.10045	2.5
185.13002	1.4
193.05470	1.3
199.04570	1.5
201.06088	1.5
203.04016	2.0
204.04283	1.5
219.01740	5.2
221.05089	2.3
223.05077	1.1
237.02797	5.0
245.05098	3.3
259.06558	1.4
266.08643	2.0
277.03186	2.7
279.03949	1.5
291.09305	1.5
303.01315	4.1
347.07404	100.0
347.14481	8.3
348.07602	2.1
367.09122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24925	5.8
55.05498	25.1
55.18187	5.9
57.07066	13.6
67.05517	38.2
69.07070	45.7
70.20927	25.6
71.08620	8.8
75.88172	5.2
79.05486	23.8
81.07061	100.0
83.08619	21.0
91.05473	18.8
93.07056	38.4
95.04941	8.7
95.08047	7.4
95.08617	97.2
97.10165	21.6
98.21137	14.1
105.07020	22.5
107.04963	8.6
107.08606	20.2
109.10169	58.1
111.11718	7.7
119.08604	12.5
121.10138	27.9
123.11710	21.2
123.76846	5.3
131.04936	19.8
133.10129	10.0
135.11707	25.3
137.13239	17.7
147.11662	16.5
149.13254	17.1
151.14777	8.9
161.13333	7.7
163.14807	8.3
165.12680	7.3
167.07047	8.3
181.06355	5.7
182.07207	6.7
189.16298	6.3
191.07031	33.3
192.66307	6.3
203.17889	6.6
210.06863	5.5
213.05580	7.6
223.07518	12.3
225.09183	8.9
227.07101	7.9
238.06166	9.5
253.08530	11.1
267.10239	10.2
270.09021	11.7
273.25769	12.1
285.11227	17.7
295.09442	11.9
299.09079	13.4
309.27875	7.3
313.10663	84.8
314.11237	12.0
315.08441	7.7
345.13379	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18919	1.8
55.01870	2.3
55.83226	1.2
57.03445	1.6
57.17566	1.3
59.25239	1.3
61.02927	1.6
65.75188	1.3
66.28619	1.2
67.05491	2.2
69.03427	4.9
69.07064	1.7
69.40728	4.4
69.41158	6.4
70.06600	2.9
71.04988	2.5
79.05495	2.2
79.28870	1.3
81.03403	2.9
82.35138	1.5
83.04966	1.6
84.04476	1.4
85.02907	12.3
85.06531	3.5
86.09700	3.6
91.05480	2.5
97.02895	5.3
98.21352	4.6
105.07035	2.6
106.06541	1.4
107.04947	7.4
109.02887	4.7
116.07113	1.6
120.08112	1.8
121.10155	1.4
124.07597	1.4
127.03900	4.3
131.04880	1.6
131.08563	4.7
137.05945	2.6
138.09142	8.3
142.08597	1.5
145.04947	4.4
145.10052	1.4
147.04474	1.5
149.05983	5.3
150.05484	1.8
152.06244	2.7
153.07021	10.4
165.07011	5.5
166.01256	1.6
166.08768	11.2
167.07204	2.1
167.08569	24.3
167.10666	2.2
169.06570	2.4
171.08095	11.1
177.07001	21.0
178.07761	5.6
179.08585	2.7
180.09305	2.2
181.06500	3.2
183.07976	2.2
184.00671	1.9
184.02194	2.2
184.09717	4.6
190.07866	3.3
191.06917	2.1
191.08559	20.6
191.10341	2.0
192.07323	2.1
194.07234	8.2
195.08067	49.2
196.08572	1.6
197.09529	1.4
199.07512	14.2
202.07745	2.9
202.10756	4.5
203.08592	2.9
207.08067	6.6
208.08839	4.2
209.09608	6.1
211.07544	3.3
213.09108	3.9
219.08075	32.2
221.09666	2.8
223.07550	22.8
225.09068	3.9
227.07095	7.3
237.09105	40.9
241.08607	41.0
247.07515	2.3
251.07047	3.1
254.11775	4.5
258.08994	2.7
259.09674	3.5
265.08618	6.4
269.08112	6.1
271.09518	1.6
272.10440	8.6
283.09659	100.0
284.09949	3.3
287.09146	22.1
300.02319	1.7
300.12314	45.8
311.09109	2.9
311.94485	1.3
314.11115	1.8
328.13968	1.4
329.10184	50.8
346.02652	7.4
346.12991	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	345.2424
Annotation	7-deacetoxyyanuthone
Peak:m/z	Relative Intensity
51.84609	1.3
53.03938	3.3
54.32759	1.6
55.01867	2.8
55.05515	13.7
57.07064	1.7
65.03957	2.9
67.01870	1.5
67.05506	83.8
68.99798	12.1
69.07061	17.6
70.11120	1.3
71.07964	3.2
79.05490	21.4
81.03395	2.1
81.07060	100.0
83.04968	3.3
83.08614	6.5
91.05485	7.6
93.07043	21.2
95.04977	3.4
95.08610	80.2
97.06531	11.1
97.10133	3.7
98.28735	1.4
101.84919	1.4
105.07021	6.4
107.04966	2.2
107.08605	12.0
109.06503	4.2
109.10160	48.0
111.00810	20.2
111.04434	4.9
111.08100	2.1
113.36622	1.3
116.88570	1.7
117.07061	2.0
119.08586	6.1
121.06532	1.8
121.10165	10.5
123.08102	4.3
123.11722	23.5
125.06017	3.6
125.09677	1.8
127.03895	7.3
131.08551	4.7
133.06508	2.4
133.10132	5.5
135.08061	3.8
135.11691	6.9
137.09634	2.3
137.13223	9.2
139.03912	21.0
139.07561	4.2
139.11212	2.6
141.05533	3.1
141.06871	1.4
145.10135	5.5
147.08046	3.6
147.11699	3.7
149.06017	2.5
149.09581	2.0
149.13289	3.3
151.07506	2.6
153.05466	4.7
153.09113	2.3
159.11690	3.6
161.09657	2.2
161.13217	3.6
163.07568	2.7
163.14873	4.9
165.05565	2.4
165.09094	3.2
167.03398	15.3
167.07005	3.7
167.10759	3.0
173.13347	3.3
175.14810	2.7
177.12755	3.3
177.16347	1.7
179.10631	2.1
181.08611	5.3
187.11092	1.7
187.14868	3.2
195.10182	6.7
201.12769	2.1
207.10083	1.6
209.11728	13.7
215.14349	3.3
223.13278	17.6
229.15749	2.2
235.13263	3.5
237.14859	19.5
243.21140	2.1
249.14914	5.7
251.16415	13.6
257.15359	3.6
261.14938	2.9
263.16351	8.5
263.88797	1.6
265.18042	6.5
271.16782	1.8
275.16418	6.4
277.17908	3.6
281.31702	1.7
289.17987	11.8
303.19565	3.2
303.23196	2.5
327.23108	2.9
345.20895	2.5
345.24258	66.5
346.24722	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	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.5
55.01877	1.9
55.05517	7.1
56.96561	1.6
57.03439	2.0
57.07072	3.9
65.03925	2.6
67.05511	11.4
69.03442	2.5
69.07067	11.7
71.04987	2.0
71.08628	1.8
71.58032	1.2
78.92886	1.5
79.05489	9.4
81.03416	3.3
81.06588	1.9
81.07059	36.3
83.04985	4.1
83.08628	6.1
85.06551	4.0
88.85886	1.3
91.05485	7.3
93.07048	15.1
95.04973	3.4
95.08607	27.0
97.06564	3.1
97.10163	4.1
99.04491	1.5
99.08098	1.6
103.05486	6.8
105.07050	11.1
107.04930	7.2
107.08591	14.3
109.02918	2.1
109.06512	3.1
109.10167	11.6
111.04437	3.5
111.08084	4.7
111.11750	2.3
115.05469	1.5
117.07051	1.9
118.04177	3.9
119.05014	2.3
119.08582	8.7
121.06549	1.9
121.10126	8.6
123.04473	2.7
123.11731	8.7
125.06029	2.2
127.03938	2.4
129.06981	1.5
130.04172	1.8
131.04924	28.2
131.08572	5.6
133.06575	2.2
133.10121	5.6
135.08003	1.7
135.11707	6.0
137.06003	9.9
137.09607	1.7
137.13268	8.0
139.03880	3.3
139.11287	1.5
145.06487	3.8
145.10185	2.2
147.04401	2.3
147.08095	2.2
147.11699	4.5
148.05151	1.9
149.13266	5.3
151.07542	3.3
152.06236	4.3
153.01836	3.9
153.05496	2.8
153.07001	3.0
155.08498	1.6
157.10220	2.5
159.04443	3.0
159.08134	1.7
159.11696	3.4
161.06020	2.6
161.13237	2.2
163.11234	2.3
163.14877	3.6
165.05688	1.8
165.06987	8.9
165.09142	2.0
166.07784	2.7
167.07072	4.5
167.08617	4.0
173.05904	2.1
175.07607	3.5
175.14789	1.4
176.04715	5.3
177.07048	1.7
177.09097	1.8
177.12849	2.3
177.16225	1.4
178.07791	4.3
179.08586	4.8
181.06493	8.3
182.07257	7.5
183.08096	2.5
187.11057	1.7
191.07050	34.1
191.18077	1.5
192.07349	1.8
193.06537	3.4
194.07312	2.8
195.08101	6.2
197.09651	2.5
198.06871	2.2
199.07639	2.7
206.07286	3.9
207.08070	5.0
209.06041	5.2
210.06779	10.7
211.07596	4.8
218.44524	1.6
221.05983	5.1
222.06754	3.6
223.07649	7.9
224.08464	4.6
225.09099	11.5
227.07014	8.7
234.06718	1.9
235.07578	4.3
237.05475	5.3
237.09068	1.9
238.06279	6.7
239.07118	6.6
240.07794	2.1
241.08742	3.8
243.06583	2.3
243.17305	1.5
251.07150	3.6
252.07903	5.4
253.08589	11.7
254.09412	5.0
255.06606	6.2
267.06622	4.0
267.10275	12.9
268.07227	2.2
269.08179	7.2
270.08881	10.1
271.09686	3.5
273.25906	2.1
281.08127	5.9
283.06110	3.1
283.09668	3.1
284.07001	1.9
284.10486	5.2
285.11172	15.6
291.26950	2.2
295.09586	13.7
296.10385	2.4
298.08423	4.9
299.09244	17.4
299.12497	3.0
313.10706	100.0
314.11426	15.3
317.06619	5.4
318.73132	1.7
327.12311	9.1
327.19659	1.7
345.06198	5.5
345.13373	50.3
345.20526	5.0
345.24353	3.3
345.28012	1.8
346.06482	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	345.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84625	0.7
55.01869	2.2
55.05498	4.1
61.39631	0.9
65.03937	1.7
67.05167	1.3
67.05507	22.0
68.99779	2.3
69.07050	2.7
69.35326	7.7
77.03941	1.1
78.34795	0.7
79.05495	14.2
81.03410	0.9
81.07069	17.7
83.08607	1.2
85.03825	0.9
85.06557	1.0
90.96664	0.9
91.05019	1.0
91.05487	8.8
93.07048	18.0
95.04958	3.0
95.08607	16.7
98.20912	3.1
105.07023	4.8
107.04955	1.6
107.08600	11.1
109.10164	7.2
113.60831	0.9
117.07013	1.6
119.08591	3.9
121.06511	1.3
121.10145	13.9
123.04434	3.7
123.11726	1.2
123.90170	0.8
124.01587	3.3
131.08580	2.1
132.54816	0.8
133.10101	1.4
135.11694	2.3
137.02228	0.8
137.05933	1.8
139.03851	1.7
139.11086	1.2
141.05457	5.1
145.10066	2.7
151.07553	1.3
152.01056	3.9
153.05472	27.3
153.21306	0.9
159.11725	1.4
161.13255	9.3
163.14847	10.8
167.03409	100.0
167.07082	4.6
168.03738	1.2
169.04901	1.9
170.02074	2.0
177.05498	2.0
177.16406	1.6
179.07028	8.2
181.04881	1.0
187.14816	6.1
195.06523	7.4
205.08574	1.4
205.15904	4.3
207.10216	5.0
209.08099	1.9
223.09572	1.0
235.09535	0.9
300.71222	0.9
327.19489	2.4
332.47028	0.9
345.20645	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	345.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01877	2.9
55.05507	5.3
57.07064	1.9
63.32035	1.1
65.03939	1.7
67.05168	1.5
67.05508	22.7
69.03445	1.5
69.07071	4.9
69.58777	7.0
79.05492	15.2
81.07052	22.4
81.58239	1.0
83.01340	1.7
83.04984	2.4
83.08608	2.4
91.05487	10.4
93.07040	18.2
95.04998	2.2
95.08611	18.6
95.48352	0.9
97.06524	1.1
98.20768	2.2
98.21420	2.2
105.07027	6.3
107.08599	14.0
109.10152	10.0
110.93730	0.9
115.05460	0.9
117.07018	3.1
119.08593	6.0
121.06506	1.4
121.10146	15.5
123.08093	1.4
123.11710	3.6
125.05976	1.6
125.09501	0.9
129.06937	1.2
131.08572	3.5
133.10104	4.9
135.08046	1.6
135.11684	3.8
137.05946	2.4
137.09630	1.2
139.03978	1.6
141.05444	3.1
145.10132	3.7
147.11653	2.2
149.09586	1.6
149.13287	1.2
151.07550	3.0
153.01820	4.1
153.05464	17.8
157.50653	1.0
159.11714	1.6
161.05954	1.2
161.13264	9.0
162.52663	0.9
163.14830	12.3
165.09142	2.1
167.03406	100.0
167.07025	3.9
169.05025	1.3
175.14822	1.3
176.00220	0.9
177.05524	2.9
177.16388	2.3
179.07085	4.2
187.14873	6.1
195.06505	7.3
205.08606	2.0
205.15918	4.3
207.10184	4.1
209.08148	2.0
219.06503	1.7
223.09888	1.1
271.13000	1.2
327.19531	5.9
345.20602	12.2
345.24283	2.1
345.27841	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	345.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08836	1.9
55.05503	6.4
57.07105	2.7
67.05508	22.0
68.99784	3.6
69.07083	4.2
71.48958	2.1
71.58360	3.2
79.05505	15.5
81.07060	24.7
83.61298	2.0
86.59921	2.4
91.05469	9.1
93.07045	20.1
95.04929	3.5
95.08612	18.7
103.76237	1.9
105.07016	6.9
107.08612	13.9
107.20029	1.9
109.10146	9.5
117.07018	2.6
119.08592	6.2
121.10139	12.3
123.04453	2.8
123.11699	2.5
124.01550	3.9
131.08600	4.8
133.10120	3.1
135.11679	4.5
137.05992	3.1
139.03928	3.0
141.05452	5.4
145.10126	2.6
151.30223	2.4
152.00951	2.3
153.05475	26.1
159.11839	2.4
161.13297	11.7
163.14803	10.9
167.03406	100.0
167.07033	4.6
177.16295	2.1
179.07065	4.9
187.14862	6.1
195.06551	8.6
207.10185	3.8
219.10097	2.3
250.75534	2.4
302.76965	2.2
327.19470	2.4
345.20654	11.8
345.27914	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	345.2271
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.03949	3.0
55.01874	5.1
55.05513	41.8
57.03434	4.7
57.57593	3.0
64.19130	2.5
67.05506	21.3
69.03427	8.1
69.07073	18.2
69.67130	19.7
79.05502	22.1
81.07058	26.3
83.04980	6.1
83.08627	26.7
85.06571	4.2
91.05495	8.8
93.07054	20.6
95.04990	5.8
95.08579	13.7
97.06550	4.5
97.10177	52.2
98.21021	9.0
105.07040	8.3
107.08604	22.5
109.06511	3.6
109.10168	7.3
111.04420	4.4
117.07041	4.8
119.08575	9.1
121.06528	3.1
121.10166	13.0
125.06020	3.2
125.09644	51.9
128.41972	2.6
133.10109	8.6
135.08064	6.6
137.05966	4.5
139.11195	18.1
143.10677	6.6
145.10146	6.0
147.08047	4.5
149.09564	4.0
153.01866	4.6
153.05531	3.2
153.09119	17.5
153.10190	2.7
156.14372	2.9
157.12309	8.0
159.11652	3.5
161.13306	3.8
165.09102	2.8
167.03429	5.5
167.07106	4.2
171.10237	5.2
173.13219	3.4
181.04973	4.1
187.46675	3.4
189.11227	100.0
191.07137	4.1
203.12872	2.8
245.04330	3.6
313.10602	6.0
327.15884	5.4
345.09772	8.1
345.16776	8.1
345.20535	10.7
345.24200	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2061
Annotation	Taxusabietane A
Peak:m/z	Relative Intensity
53.03947	1.4
54.08273	1.0
55.01866	2.4
55.05501	3.5
57.18826	1.3
57.23164	0.9
59.37476	1.0
61.90603	1.0
64.53842	0.9
67.05508	19.5
68.99805	3.2
69.03434	1.3
69.07079	1.8
69.69789	3.4
69.70214	2.8
70.89492	1.0
79.05497	14.1
81.03440	1.1
81.07067	19.6
83.04966	1.0
83.08635	1.1
91.05483	8.8
93.07047	16.3
95.04986	1.9
95.08608	12.4
97.06538	1.1
98.20975	3.6
105.07043	3.8
107.08591	12.7
109.10166	4.9
117.07065	2.0
119.08598	3.6
121.10152	14.3
123.04430	3.3
124.01535	2.6
131.08563	3.2
133.10136	1.8
135.11678	1.7
139.03932	2.3
139.11174	1.1
141.05479	5.7
145.10127	3.2
147.11790	1.0
151.07590	1.8
152.01044	4.8
153.05472	24.5
161.13274	7.8
163.07460	1.2
163.14832	9.6
167.03410	100.0
167.07091	3.2
168.03696	1.0
169.04985	1.1
170.02129	2.5
177.05492	3.4
177.16364	1.3
179.07016	8.5
187.14767	5.0
195.06552	9.3
205.08633	1.7
205.15916	3.0
207.10201	5.3
209.08054	1.4
221.08119	1.3
303.18848	1.1
327.19498	1.1
345.20624	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	345.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01859	1.8
55.05510	4.7
57.07062	0.8
65.03929	1.6
67.01867	0.7
67.05506	26.9
68.99793	2.7
69.07066	2.5
69.58037	4.7
70.41232	0.6
71.21111	0.7
79.05495	19.2
81.03424	1.5
81.07059	19.0
83.04952	1.6
83.08627	1.1
91.05491	9.0
93.07047	18.1
95.04970	4.2
95.08604	12.0
97.06517	0.8
97.10155	1.2
98.21304	2.1
98.40363	0.7
105.07045	5.6
107.04948	1.1
107.08598	12.8
108.08873	0.7
109.06509	1.6
109.10155	7.1
111.04406	1.2
115.10006	0.7
117.07005	1.6
119.08562	4.7
121.10146	16.7
123.04438	4.2
123.11700	2.8
124.01526	1.8
125.09631	1.1
131.08560	3.0
133.10110	1.7
135.11685	1.5
137.05975	1.1
139.03888	1.4
139.11221	1.9
141.05467	6.9
145.10118	3.6
147.11729	1.0
149.09660	1.0
151.07613	1.6
152.01074	3.3
153.05473	30.4
159.11650	1.1
161.13284	9.7
163.03864	0.8
163.07585	0.7
163.14819	16.1
165.05574	1.3
167.03409	100.0
167.07079	2.4
168.03758	1.4
169.04997	1.5
170.02104	1.6
177.05479	3.0
177.16440	2.3
179.03384	1.1
179.07065	7.5
179.14355	0.9
181.04991	1.2
181.08600	1.0
187.14841	7.4
191.06970	1.0
195.06554	6.9
199.31799	0.6
203.07085	0.9
205.08614	1.3
205.15909	5.9
207.06505	1.3
207.10158	5.7
209.08128	2.6
217.08557	0.9
219.10236	1.3
221.08156	1.1
221.11658	0.8
222.67603	0.7
223.09619	0.8
231.10162	1.0
235.09547	0.7
261.14911	1.5
280.90302	0.7
327.19553	4.6
342.86691	0.8
345.20599	14.5
346.20981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56063	0.6
53.03946	1.4
55.01872	2.2
55.05523	3.6
55.05743	0.6
56.03143	0.7
57.03434	0.7
57.07064	0.8
57.92377	0.6
65.03950	1.5
67.05511	22.9
68.99786	2.4
69.03423	0.9
69.07065	3.3
71.04979	1.1
79.05059	0.9
79.05495	14.9
81.03398	0.7
81.07059	20.7
83.04987	1.1
83.08617	1.0
85.06528	0.7
91.05485	9.2
93.07043	15.8
93.48988	0.6
95.04972	2.9
95.08042	1.2
95.08607	14.7
97.06531	1.7
97.10172	0.8
98.20805	2.3
98.21503	1.3
99.04486	0.8
105.07037	5.1
107.08600	11.9
109.06519	1.2
109.10176	9.6
111.08010	0.7
117.07004	2.0
119.04968	0.9
119.08579	4.8
121.06509	0.8
121.10156	15.7
123.04448	4.0
123.11732	1.9
124.01549	2.6
125.09576	0.9
131.08575	3.4
133.10141	2.4
135.08090	0.9
135.11693	2.1
137.02286	0.7
137.06001	1.0
139.03900	2.5
139.07574	0.6
139.11195	1.8
141.05478	8.1
145.10143	3.5
147.04366	0.6
147.11710	1.2
147.33458	0.6
149.09535	0.7
149.13251	0.8
151.07527	1.3
152.01004	2.6
153.01878	1.1
153.05461	27.1
159.11755	1.2
161.13266	9.7
163.07521	1.3
163.14830	11.9
165.05437	1.0
167.03407	100.0
167.07056	3.4
168.03758	1.6
169.04959	1.8
170.02065	2.5
173.13156	0.7
176.04773	0.7
177.05505	3.2
177.16388	1.9
179.07060	6.6
181.05009	3.8
183.06602	0.7
187.14810	8.0
191.07043	1.2
193.08620	0.8
195.06540	6.2
205.08675	1.5
205.15857	4.4
207.10172	6.9
209.08102	2.1
215.99545	0.6
217.08553	1.2
219.10098	1.1
221.11713	1.1
223.09647	2.0
229.08528	0.7
245.11551	0.8
261.14471	0.6
327.19446	4.6
345.17191	1.2
345.20633	17.4
345.24280	1.3
346.33301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2061
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
50.46506	0.4
53.03938	1.7
53.14426	0.6
54.26478	0.4
55.01875	0.6
55.05513	5.3
57.07061	0.6
64.48872	0.5
65.03940	1.1
67.05507	21.6
68.05827	0.4
68.99812	0.7
69.03420	1.5
69.07053	2.8
69.62987	2.6
70.83265	0.5
79.05494	14.3
81.03391	0.7
81.07059	17.7
83.01323	1.8
83.04974	2.8
83.08609	1.8
91.05479	5.7
93.07045	17.0
95.04974	1.8
95.08609	15.3
97.02911	0.7
97.06541	1.0
97.10174	0.5
97.30794	0.5
98.20959	1.7
100.41473	0.6
102.53999	0.5
105.07018	4.4
107.04971	0.6
107.08585	12.9
109.06529	1.4
109.10170	6.8
111.04451	0.9
117.07020	1.5
119.08573	5.2
121.06490	0.5
121.10143	13.9
123.04449	0.8
123.08047	0.9
123.11716	2.5
125.02363	0.5
125.05998	1.0
131.08569	2.9
133.10147	2.6
135.08043	1.1
135.11678	2.7
137.05983	1.3
139.11182	0.8
141.05466	3.7
145.10085	3.4
147.11650	1.2
149.09636	0.7
149.13318	0.6
151.07561	1.2
153.01884	1.0
153.05472	19.4
154.11676	0.5
159.11685	0.8
161.06036	0.7
161.13226	7.7
163.03912	0.6
163.14825	14.1
165.05457	0.7
167.03401	100.0
167.07014	2.9
168.03760	1.4
169.04958	1.5
175.14801	0.7
177.05476	2.3
177.16426	2.2
178.25475	0.5
179.07072	4.1
187.14818	6.4
191.06976	1.0
195.06509	7.7
205.08615	1.9
205.15857	4.2
207.10069	2.4
209.08144	2.6
217.08565	0.8
219.10121	0.9
223.09586	0.6
226.17801	0.5
245.11691	0.7
327.19598	5.2
345.20642	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	345.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	1.3
55.05515	1.8
57.07063	1.6
61.02928	1.1
61.96601	0.7
65.03919	0.9
66.08444	0.8
66.81692	0.9
67.05495	2.4
69.03429	8.9
69.07069	12.2
71.04972	1.7
71.34209	2.0
79.05488	3.9
81.03443	1.9
81.07059	20.2
83.04997	4.3
83.08566	1.1
85.02912	8.7
85.06542	5.5
91.05466	2.7
93.07036	1.8
95.04969	2.1
95.08604	6.3
97.02876	2.4
97.06525	3.2
99.04459	3.8
99.07487	1.1
99.08101	14.2
103.05504	0.9
105.07030	1.5
107.04964	1.2
107.08588	3.8
109.02884	2.3
109.06528	5.4
109.10165	3.4
111.08128	1.6
116.04960	1.1
119.08580	1.9
121.06493	1.2
121.10157	11.7
122.06057	2.3
123.04385	2.5
123.08080	3.5
123.11710	4.9
125.09650	7.9
127.03929	1.8
127.07554	3.5
131.04944	3.0
134.04451	0.8
137.06000	4.2
137.09602	3.2
137.13223	1.6
139.11197	10.3
140.07051	3.0
142.90283	0.8
144.04442	1.8
145.04951	1.2
145.10199	0.8
147.04324	0.9
147.11646	2.0
153.05447	1.6
165.05455	1.2
165.12730	5.3
167.07054	2.0
167.08499	1.2
171.04448	0.9
172.03888	3.8
176.04749	1.3
177.56473	0.9
181.06403	1.0
182.07309	0.9
183.13817	100.0
184.14162	1.3
191.07040	4.9
195.05511	0.9
201.11209	1.7
204.06581	9.1
206.08122	1.1
207.08058	0.9
210.06581	1.3
221.05991	1.0
225.09158	1.5
227.07024	1.3
237.05391	1.0
243.03020	0.9
253.08714	2.1
255.02956	1.3
267.10107	1.2
285.11133	2.2
295.09692	1.6
299.01776	4.6
299.09180	1.4
301.03439	1.7
313.10648	9.6
314.11270	1.4
327.01514	1.7
327.12268	1.0
345.02432	6.0
345.06509	1.3
345.12805	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	345.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01867	2.2
55.05503	6.1
57.03436	1.1
57.07090	0.9
61.05610	0.8
65.03928	2.2
66.10583	0.8
67.05502	27.3
67.77439	0.8
69.03421	1.4
69.07051	2.8
70.46925	2.6
79.05055	1.5
79.05487	20.0
81.03400	1.2
81.07058	21.0
83.01345	1.2
83.04960	3.4
83.08613	1.1
91.05477	9.0
93.07043	20.0
95.04955	1.5
95.08600	15.8
97.06527	1.8
105.07037	5.7
107.04991	1.3
107.08595	15.4
107.62791	0.8
109.06512	1.2
109.10164	8.1
117.07015	2.9
119.08582	4.7
121.10135	16.1
123.04440	0.8
123.11700	2.6
125.05981	1.9
131.08591	4.6
133.10129	2.6
135.08084	1.2
135.11667	1.1
137.06010	2.0
139.03912	1.9
139.11172	1.2
141.05444	7.5
145.10117	3.7
147.11690	1.1
149.13199	1.0
151.07597	1.9
153.01811	2.6
153.04457	1.0
153.05466	27.2
153.06726	1.5
161.13246	9.3
163.07527	1.0
163.14815	15.8
165.05461	1.8
167.03398	100.0
167.07072	3.5
168.03726	0.9
169.04970	1.2
177.05464	3.3
177.16380	2.8
179.03383	1.2
179.07024	5.1
181.04942	2.1
181.08641	1.0
185.04465	1.1
187.14806	8.7
191.07042	2.2
192.04149	0.9
193.05045	0.9
193.08571	1.0
193.30928	0.8
195.06514	5.2
203.07028	0.9
205.08574	2.1
205.15880	7.2
207.06627	1.2
207.10106	2.7
209.08090	3.5
217.12898	0.9
219.10043	1.3
221.08141	1.1
223.09676	1.7
231.06673	1.0
249.11301	0.9
250.84279	0.9
316.98990	0.9
327.19501	7.7
345.16837	6.7
345.20584	20.6
345.24072	1.0
346.20834	0.8
346.33011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77892	0.4
51.41456	0.5
51.61060	0.5
53.03935	1.7
55.01870	0.9
55.05507	2.0
57.07077	1.1
65.03919	0.7
67.01874	1.5
67.05508	9.4
68.35432	0.5
68.99784	2.0
69.03429	1.0
69.07066	2.9
69.65588	2.7
77.94312	0.4
79.05058	0.9
79.05499	14.3
81.03412	0.6
81.07061	16.9
83.04969	0.8
83.08633	1.3
85.70232	0.5
91.05477	7.8
91.82795	0.4
93.07051	16.4
95.04993	2.6
95.08039	0.8
95.08613	9.1
97.02929	0.8
97.06555	0.7
105.03409	0.5
105.04469	0.6
105.07030	4.2
107.04957	1.8
107.08602	7.2
109.06507	0.8
109.10146	2.7
111.00820	1.2
111.04437	1.1
115.05496	0.5
117.07029	2.9
119.08612	2.4
121.06483	0.8
121.10143	4.8
122.58225	0.5
123.04397	2.2
123.11725	1.1
125.05988	1.0
127.03909	6.0
131.08536	2.9
133.10162	2.5
135.08060	1.0
135.11693	6.8
137.05946	0.5
137.09615	0.5
139.02968	0.5
139.03888	3.4
143.08553	0.6
145.06528	0.6
145.10133	1.3
147.11705	1.0
149.02292	0.5
149.13307	2.3
151.03957	0.9
151.07565	0.8
153.01836	100.0
154.02144	1.0
157.10150	0.6
159.11710	2.2
161.13266	0.6
163.03891	0.4
163.07507	0.7
163.11209	0.5
165.01871	0.5
165.05539	0.5
167.03452	3.6
167.07089	0.6
169.04980	1.2
171.02898	0.8
173.13217	1.1
175.03926	0.6
175.14828	1.7
177.12787	1.6
179.03383	1.8
181.04961	1.1
183.03021	0.6
187.14812	0.6
193.04974	1.6
195.02908	16.0
201.12775	0.7
205.04987	2.2
205.08611	0.7
207.06517	0.8
219.13840	0.5
223.13248	0.6
229.04948	1.2
231.06520	1.3
233.08060	0.9
235.05988	0.6
251.99797	0.6
261.14792	0.6
327.15903	5.2
327.19446	0.9
345.16986	3.0
345.20609	1.5
345.23874	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
53.03930	2.4
55.01872	2.7
55.05255	0.9
55.05511	13.5
55.05780	0.7
57.03431	1.1
57.07082	2.9
65.03941	3.7
65.28913	0.5
65.38120	0.5
67.01858	2.9
67.05505	72.6
68.99792	9.1
69.03432	2.9
69.07069	14.1
71.01351	0.9
71.04984	1.0
71.08643	0.6
71.57775	0.7
75.98180	0.5
77.03919	0.5
79.05495	31.3
81.03426	2.1
81.07059	86.1
82.07397	0.7
83.01329	0.7
83.04984	4.7
83.08617	5.9
85.02914	0.7
85.06555	1.0
87.00849	0.6
91.05479	15.7
93.07047	31.7
95.04961	6.1
95.08608	68.0
97.02885	2.2
97.06528	8.8
97.10172	3.5
99.04454	1.2
99.08067	0.6
101.28681	0.5
105.03401	1.0
105.04524	0.6
105.07034	11.7
107.04947	3.4
107.08595	19.8
109.02819	0.5
109.06514	4.2
109.10156	34.2
111.00804	15.2
111.04453	6.1
111.08100	2.8
111.11739	0.9
115.05451	0.7
117.07030	5.2
119.04970	0.7
119.08581	7.8
121.02827	0.5
121.06503	1.9
121.10146	17.0
123.04442	5.4
123.08090	3.5
123.10807	1.2
123.11707	16.6
124.01592	0.8
125.05977	2.2
125.09644	1.7
126.03146	1.2
127.03921	11.5
127.71431	0.4
128.06192	0.7
129.06984	1.5
131.08575	7.8
133.06560	1.2
133.10123	6.6
135.08075	4.3
135.11696	10.7
137.05992	1.9
137.09647	2.5
137.13232	6.2
139.03912	15.6
139.07530	1.8
139.11205	1.4
141.05476	4.6
143.08586	1.8
145.06487	0.9
145.10115	5.4
147.08043	2.9
147.11667	3.8
149.06055	2.5
149.09599	2.5
149.13257	5.7
151.03871	1.6
151.07564	2.9
151.11272	0.6
151.14819	2.0
153.01831	100.0
153.05441	13.9
153.09084	1.2
154.02197	0.9
155.07063	0.7
155.08469	0.6
157.08578	0.6
157.10112	1.3
159.08069	0.7
159.11691	5.8
161.09607	1.2
161.13254	5.3
163.03905	1.0
163.07593	2.3
163.11186	1.7
163.14833	6.7
165.01823	0.6
165.05482	2.8
165.09119	2.1
165.12671	0.6
165.16403	1.0
167.03406	33.1
167.07062	3.7
167.10634	1.4
169.04985	1.8
169.10016	0.9
170.02107	1.0
171.10129	1.6
171.11632	1.0
173.09645	0.9
173.13268	3.2
175.03830	0.6
175.07486	0.8
175.14760	2.8
177.05467	1.4
177.09094	0.9
177.12747	2.6
177.16354	1.7
179.03389	2.2
179.07062	4.1
179.10678	2.0
181.04970	1.5
181.08643	4.5
183.11674	1.2
185.13307	0.8
187.11198	1.3
187.14838	5.0
189.12793	0.9
191.07042	1.6
191.10553	0.5
191.14244	1.0
193.05006	1.0
193.08592	1.1
195.02887	15.0
195.06528	3.7
195.10153	4.8
195.13916	0.6
197.13309	1.0
199.14870	0.9
201.12732	1.8
201.16373	0.6
203.14293	0.8
205.04951	3.2
205.08621	1.0
205.16014	3.1
207.06499	0.8
207.10147	3.2
209.08070	1.1
209.11739	9.0
211.14915	0.8
213.14819	0.7
215.10616	1.1
215.14278	1.2
217.08675	0.7
217.12157	0.7
219.13760	0.9
221.11732	1.1
221.15356	0.8
223.09853	0.6
223.13293	12.0
225.12880	0.7
229.04924	1.4
229.08768	0.6
229.12280	1.2
229.15829	1.1
231.06487	1.3
235.05916	1.0
235.13277	2.3
237.14870	11.0
239.14377	0.6
243.13853	1.9
243.21065	1.4
247.13275	1.1
247.16951	0.7
249.14877	4.0
251.16447	7.1
257.15305	1.4
261.14877	2.6
263.16403	5.1
265.17944	3.5
267.21057	0.5
271.16940	1.7
275.16440	4.7
277.18045	2.5
279.19467	0.9
285.22046	0.8
289.17941	6.5
294.99905	0.5
299.23724	0.6
303.19446	3.1
303.22903	1.0
313.10748	0.6
317.24567	0.6
327.16034	5.3
327.19577	1.6
327.22772	2.7
345.09814	0.7
345.16946	3.0
345.20529	5.8
345.24240	35.0
346.24438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	MLS002695095
Peak:m/z	Relative Intensity
52.17004	0.9
53.03946	2.0
55.01880	1.2
55.05501	1.6
57.03413	1.2
60.12093	0.9
64.02749	1.0
65.03931	1.1
65.43694	1.4
69.03421	2.2
70.06564	2.2
70.17024	2.3
70.17413	2.5
79.05486	3.3
81.03407	3.2
81.04510	1.9
81.07049	3.0
83.05001	5.3
85.02905	2.1
91.05473	4.2
93.07040	1.8
94.04158	4.2
95.04984	2.4
97.02900	2.5
98.21081	2.8
99.04428	1.5
102.04674	1.7
103.05479	12.0
105.07038	2.9
107.04958	8.1
109.02877	1.3
109.06534	2.6
111.04417	1.3
115.05466	3.0
116.07112	1.7
117.03394	1.3
117.07030	1.8
118.04207	6.1
119.04916	1.6
121.06519	2.5
122.03661	8.3
123.04440	1.5
127.03934	1.6
130.04143	4.9
131.04933	35.8
131.05923	1.8
133.06477	1.2
137.05986	100.0
139.03912	2.4
143.04959	2.3
143.87456	1.0
145.06497	1.6
146.03619	1.4
147.04411	4.1
148.05167	2.9
149.05940	2.4
150.05536	2.4
152.06212	2.3
153.05484	2.8
153.06973	3.2
154.07780	1.4
157.06447	1.4
158.03575	1.3
159.04448	4.8
160.05179	1.2
161.05998	4.7
163.07504	1.3
165.01909	1.5
165.05630	2.2
165.07019	9.2
165.09172	1.3
166.07652	1.3
167.07065	4.1
167.08566	4.7
171.04404	2.6
173.06046	2.5
175.03923	1.5
175.07559	3.3
176.04669	11.3
176.06076	1.5
177.05446	2.8
177.07054	3.4
178.07796	4.4
179.07230	1.1
179.08586	6.0
181.06506	11.6
181.08032	1.3
181.08614	1.1
182.02669	1.6
182.07257	6.7
183.02943	1.7
183.08089	1.4
183.11322	1.3
187.03914	2.1
191.07043	69.3
192.05724	1.7
193.06494	5.8
194.07297	4.9
195.08049	7.2
196.08804	1.3
197.05986	1.5
197.09668	2.6
199.03899	3.3
199.07620	3.2
203.07036	2.1
205.06445	3.0
206.07275	4.5
207.08017	7.4
209.06035	5.5
210.06796	9.8
211.07550	6.5
213.09148	1.6
215.03401	3.2
220.05357	1.6
221.05963	7.3
222.06740	3.1
223.07597	7.6
224.08417	5.4
225.09076	10.4
227.03442	3.0
227.07013	9.3
234.06831	2.0
235.07527	4.3
237.05536	3.6
237.09053	2.6
238.06284	6.5
239.07050	7.5
241.08640	3.6
242.09372	1.7
243.02840	4.8
245.04370	1.7
249.05534	2.5
251.07149	2.9
252.07864	6.2
253.08601	14.8
254.09454	3.8
255.02937	3.6
255.06503	7.4
256.07214	1.2
263.07083	1.4
265.08661	2.4
266.05835	2.2
267.06589	4.6
267.10165	16.6
269.08145	5.5
270.08856	10.0
271.02417	4.6
271.09592	3.2
273.03906	2.8
275.17972	1.2
277.08679	2.4
280.07422	1.2
281.08096	5.8
282.08823	2.4
283.02466	1.9
283.09705	3.6
284.10419	4.6
285.11264	19.8
289.03241	1.4
294.08682	1.6
295.09659	14.0
297.07669	1.4
297.11163	1.5
298.08365	3.9
299.01752	9.4
299.09109	13.1
301.03583	7.5
309.11200	2.8
313.10706	93.8
314.11380	12.5
315.08603	3.2
327.01511	2.2
330.10901	3.4
345.02426	19.7
345.06152	1.3
345.13342	55.6
345.17532	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	345.1332
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01857	3.0
63.25990	1.4
65.03924	3.9
69.82338	8.9
69.82644	1.7
71.60647	1.4
81.22019	1.5
88.27704	1.5
93.03385	3.5
95.04976	2.5
96.02108	4.6
103.05462	2.0
107.01283	4.0
111.04437	27.3
128.06128	1.9
129.07002	3.7
131.04953	1.6
137.05972	2.3
139.03885	15.8
141.07001	2.6
144.05685	3.3
145.06482	4.3
146.07245	1.9
152.06200	2.8
153.05452	2.3
153.06927	4.1
155.08498	2.1
157.06517	3.3
159.08063	5.4
160.08784	5.6
161.05972	5.8
161.09593	3.2
165.07030	4.7
166.07944	1.8
167.03372	5.5
167.08598	2.8
168.05673	5.6
169.06517	3.7
170.07362	2.0
171.08026	3.1
173.05923	3.6
175.07582	2.6
176.79276	1.8
178.07790	3.9
179.08517	7.1
179.10013	1.6
180.09290	1.7
181.06508	7.8
181.10031	1.9
182.07260	2.8
183.08000	4.6
185.05946	5.8
185.09633	3.1
187.07529	3.4
188.08296	8.1
189.09079	4.9
195.08057	8.0
196.05232	3.6
196.08798	2.6
197.05936	6.1
197.09676	2.8
198.06783	20.6
199.07608	3.0
200.08398	2.6
205.06517	1.8
206.07324	3.8
207.08060	6.9
208.08891	1.8
209.05934	5.1
209.09521	2.2
210.06737	3.6
211.07629	11.9
211.11171	4.7
212.08279	3.7
213.05444	10.1
213.08963	3.8
214.09886	1.9
215.07024	1.9
221.09608	3.5
223.07558	5.5
224.08305	7.3
225.05440	3.2
225.09047	4.5
226.06238	6.5
227.06889	4.2
228.07835	4.6
234.06891	2.2
235.07513	4.3
236.08179	2.1
237.09052	3.0
238.06258	4.4
238.09866	12.2
239.07063	22.7
239.10655	16.2
240.07774	11.0
241.04950	6.1
241.08586	17.4
242.05591	2.2
243.06480	18.9
249.09042	3.5
251.07066	3.4
252.07791	5.4
253.04994	1.7
253.08659	10.0
253.12209	6.6
255.06485	3.5
255.10229	1.8
256.07288	18.2
256.10947	4.1
257.07986	2.4
258.08911	2.1
263.06757	2.5
266.09402	3.3
267.06915	3.4
267.10159	34.3
268.07355	22.8
268.10403	3.7
269.08112	30.6
270.08664	1.9
271.09650	7.4
271.13214	7.1
281.08102	3.8
281.11490	3.3
283.09631	3.0
284.06781	5.5
284.10382	10.8
285.11176	2.6
286.08383	8.2
295.09647	11.7
296.10501	14.9
299.09222	100.0
299.12717	18.5
300.09491	3.9
313.10626	25.1
317.13876	3.6
327.12247	73.0
328.12622	2.7
345.13333	42.4
346.13583	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	345.0605
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
55.05510	0.4
67.05493	0.5
69.07047	0.5
69.36637	0.8
69.37035	2.2
79.05489	0.4
81.07049	0.8
85.06541	0.5
91.05485	0.8
93.07013	0.4
95.08617	1.0
98.20785	0.8
98.21442	0.8
103.05472	0.8
105.07032	0.4
107.08611	0.4
109.02885	0.5
109.10149	0.7
111.04424	0.5
115.05454	1.3
117.03378	0.5
117.06993	0.5
119.04971	0.4
123.11683	0.4
127.03868	0.4
130.04185	0.6
131.04939	2.1
135.11699	0.4
137.05974	0.9
139.05486	0.4
143.04970	0.4
144.05840	0.3
145.06474	0.9
147.04393	0.9
155.04938	0.3
157.06464	0.4
158.03610	0.5
159.04451	1.0
167.03352	0.5
167.07066	0.5
171.04399	1.1
172.05095	0.4
173.05966	1.4
175.03912	0.9
178.40205	0.3
179.03433	0.6
179.08420	0.5
181.06482	0.4
183.04353	0.6
185.06093	0.4
186.03111	1.8
187.03883	1.2
188.08427	0.4
189.05481	0.8
191.06992	1.9
195.08109	0.6
197.02303	0.5
197.06096	0.4
198.03125	0.6
198.06847	0.5
199.03951	2.1
201.05437	3.4
203.03398	2.9
206.07465	0.4
207.07957	0.6
210.06769	0.7
211.07524	0.6
212.01170	0.4
212.04774	0.6
213.01781	0.4
213.05519	0.4
213.08952	0.4
214.02591	3.1
215.03392	1.3
221.05972	0.4
223.07658	0.4
225.09091	0.6
226.02695	0.4
227.03412	0.9
228.04161	1.9
229.01436	0.5
229.04956	3.1
231.02876	4.3
237.05537	0.4
239.07001	0.6
239.10718	0.5
241.01291	2.4
241.08675	0.9
242.02139	6.9
243.02843	0.7
243.06625	0.6
245.04472	0.6
246.05304	0.5
247.06099	0.5
252.07910	0.6
253.08627	1.0
255.06589	0.4
256.03659	1.3
256.07217	0.4
257.00845	0.7
257.04468	1.2
259.02383	3.9
267.10071	2.0
269.00836	2.9
269.08167	1.0
270.01596	3.8
271.02365	2.2
271.99551	0.4
274.04977	0.8
284.03110	1.1
284.10233	0.5
285.03931	12.4
285.11154	0.7
286.01147	1.0
286.04660	0.6
287.01877	9.9
295.09659	1.2
296.10373	0.5
297.00348	1.4
297.07669	0.8
299.01929	2.6
299.04910	0.4
299.05936	0.4
299.09155	2.8
299.12579	0.6
299.99045	0.9
300.02493	0.4
301.03406	2.0
302.04291	1.0
312.02625	1.9
313.03424	33.7
313.10684	5.2
314.04132	4.0
314.11322	0.5
315.01355	24.6
316.02011	1.2
327.08575	1.3
327.12296	2.9
329.03003	3.6
330.03705	32.6
331.04138	0.7
345.06058	100.0
345.13141	4.4
346.06396	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
54.41671	1.0
55.01861	2.8
55.05482	1.2
57.02319	0.9
65.03948	6.5
65.59399	0.9
67.05499	1.5
68.02634	1.6
69.07063	1.7
69.69363	2.3
69.69776	3.9
71.58318	1.0
79.05497	1.8
81.03433	1.0
81.07045	3.3
83.04974	1.6
91.05473	2.5
93.03381	2.9
93.07051	2.1
95.04995	1.2
95.08582	2.8
96.02155	5.0
98.21053	2.6
105.07054	1.7
107.01309	1.9
107.08624	1.7
111.04449	28.0
115.05463	2.6
117.07059	2.0
121.06545	1.7
123.04443	1.8
123.11704	1.4
128.06198	1.2
129.07004	3.3
131.04909	2.9
135.08084	1.3
137.02394	1.7
137.06009	2.5
139.03897	16.8
141.07007	2.7
144.05717	4.1
145.06479	3.8
145.10204	1.1
147.04430	1.8
147.08195	1.1
151.03995	1.7
152.06195	2.4
153.05493	3.6
153.06987	6.2
154.07719	2.2
155.04915	1.3
155.08562	2.4
157.06483	6.0
157.10161	1.2
157.86084	1.2
158.07146	1.2
159.04350	1.4
159.08063	8.3
160.08871	6.3
161.06017	6.7
161.09637	2.6
162.06767	2.0
163.07539	1.2
165.06927	4.7
166.07800	1.7
167.03409	7.1
167.04643	1.5
167.08580	3.2
168.05753	5.6
169.06525	4.5
170.07176	1.8
171.08057	2.3
171.72206	1.2
173.05960	1.4
174.06807	1.5
175.07518	1.7
177.07065	1.0
177.09093	1.0
178.06311	0.9
178.07805	4.1
179.08568	8.9
181.06509	10.4
181.10129	1.6
182.07285	4.1
183.08022	4.7
184.08841	2.1
185.06017	5.9
185.09653	3.1
187.07596	6.3
188.08318	9.9
189.09114	2.3
191.07011	5.2
192.71802	1.3
193.06494	2.4
194.07274	1.5
195.08031	6.4
196.05261	4.8
196.08859	2.4
197.05995	5.8
197.09561	3.2
198.06773	22.1
199.07536	5.2
200.08289	3.0
206.07346	2.5
207.08058	9.0
208.05208	1.3
208.08842	3.4
209.06020	5.5
209.09560	2.5
210.06732	6.3
211.07579	13.3
211.11096	6.4
212.08295	2.7
213.05493	8.9
213.08981	5.8
214.06299	1.6
214.62268	1.3
215.07076	2.4
219.07976	1.0
221.06015	2.5
221.09723	5.0
221.11420	1.0
223.07509	8.2
224.04706	3.1
224.08316	8.5
225.05516	3.3
225.09186	5.5
226.06325	7.4
227.07024	6.4
227.10698	2.3
228.07806	5.7
228.11433	1.2
234.06708	2.7
235.07515	4.0
236.08327	2.9
237.05505	3.7
237.09196	2.8
238.06229	3.5
238.09903	10.0
239.07042	26.0
239.10651	18.3
240.07802	12.5
241.05038	5.3
241.08612	17.8
242.05760	1.1
242.09149	1.5
243.06599	14.2
243.10260	1.4
249.09070	4.6
251.07018	3.8
251.10222	1.2
252.04256	1.2
252.07796	5.9
253.04886	2.5
253.08623	14.0
253.12175	4.7
254.05734	3.0
254.09387	1.3
255.06467	5.8
255.10176	2.5
256.07318	20.8
256.10934	2.9
257.08035	1.8
258.08896	2.2
263.07013	2.5
265.08698	1.7
266.09506	1.3
267.06641	4.5
267.10147	32.9
268.07321	24.6
268.10419	1.6
269.08105	32.9
270.08835	3.4
271.06339	1.2
271.09915	8.2
271.13126	8.2
281.08124	3.5
281.11746	6.9
283.09555	1.9
284.06799	4.6
284.10428	10.7
285.11142	4.2
286.08331	6.2
295.09717	11.4
296.10394	11.9
299.09152	100.0
299.12805	22.1
300.09564	2.2
309.11169	2.0
312.09897	1.9
313.10699	31.2
314.11267	1.7
317.13876	2.2
327.12311	78.4
345.13327	56.8
346.13516	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	345.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22556	1.2
56.96563	3.6
61.02933	1.9
69.03430	1.6
70.56138	5.1
83.04978	2.1
85.02901	2.2
97.02893	3.9
98.21032	2.6
98.97610	2.4
98.98473	2.5
101.00878	1.5
116.98605	1.8
119.01923	6.2
131.01927	1.6
137.02969	1.7
140.98776	1.3
158.97295	2.4
176.98329	1.6
177.00938	13.5
200.98334	2.9
201.00984	6.4
212.98322	2.7
214.96523	8.0
214.99991	1.5
219.02010	100.0
220.02184	4.6
224.98434	2.2
242.03606	5.8
242.99406	3.1
245.94408	1.8
248.55411	1.5
256.97617	35.7
259.97549	1.9
262.96460	1.9
267.95483	3.1
280.97269	2.8
284.93716	1.8
287.93756	2.0
297.93079	2.5
298.98050	58.6
301.94153	2.1
319.44135	3.2
321.99380	5.4
339.94238	2.4
345.07654	1.7
369.14456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.03437	1.0
58.47969	0.6
69.03406	1.0
72.08152	1.7
79.17070	0.8
79.81734	0.7
81.03404	1.3
85.02905	2.5
86.09660	0.8
87.60003	0.8
91.05473	1.3
93.68753	0.7
95.01324	2.7
95.04964	0.7
96.99891	0.7
97.02902	1.1
98.21132	0.8
98.97636	1.1
103.05448	2.0
105.07032	1.6
109.02890	1.3
113.02367	1.2
115.05470	6.9
120.03175	0.8
127.05473	0.9
131.04951	4.7
132.04449	1.4
132.14175	0.7
136.07547	0.7
137.06029	4.6
139.12311	0.8
140.09361	0.6
143.04948	4.2
143.61470	0.8
147.04446	0.9
153.01845	4.2
153.03180	1.2
155.04935	1.4
159.04439	4.5
161.05974	1.8
165.06563	1.4
171.04420	13.9
173.50899	0.8
177.01991	1.0
177.05510	2.3
181.02873	1.9
183.04469	1.5
183.07640	1.2
187.03925	11.1
189.05470	2.4
191.06970	1.2
199.03918	18.7
205.05008	2.1
209.02330	2.9
211.03995	1.7
215.03397	11.7
217.04996	3.5
219.51031	0.7
225.01840	1.3
227.03416	16.6
233.04485	2.8
237.01898	2.3
239.03378	1.3
243.02881	20.4
245.04471	4.9
253.01280	1.6
255.02887	17.6
261.03851	4.0
271.02377	19.0
272.02936	0.9
273.03973	12.4
281.00894	1.0
283.02359	11.3
289.03458	8.1
299.01868	48.3
300.02451	1.4
301.03439	37.9
302.00677	1.2
313.10760	0.9
316.01959	1.9
317.02930	10.7
327.01373	13.3
345.02423	100.0
345.13217	7.4
346.02823	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	345.0605
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
55.05507	1.9
67.05523	2.8
69.03442	1.0
69.07065	2.8
69.61565	2.3
69.61996	1.3
79.05499	2.0
81.03401	1.1
81.07063	7.3
83.08620	1.4
83.46394	0.5
85.02884	0.7
91.05479	2.7
93.07045	3.3
95.04963	1.2
95.08601	6.5
97.10173	0.7
98.21374	0.8
102.04625	0.5
103.05460	2.2
105.07050	3.4
107.04912	1.2
107.08590	2.1
109.02932	0.6
109.10143	2.8
111.04460	0.5
115.05437	0.9
117.07085	0.8
117.86178	0.6
118.04194	0.9
119.08585	2.5
119.40078	0.5
121.10150	2.3
123.08008	0.6
123.11691	1.7
123.57237	0.6
125.09627	0.6
127.03895	0.6
130.04192	1.0
131.04919	6.7
131.08565	0.9
133.10147	1.5
135.11678	1.6
137.06003	1.5
137.13234	0.9
139.03951	0.7
139.05367	0.5
143.04951	0.6
145.06503	1.1
145.10051	0.6
147.04414	0.8
147.11722	0.9
149.13243	0.9
151.07552	0.6
153.01813	1.1
153.05421	0.8
157.10202	0.5
157.69040	0.5
159.04431	1.3
159.11682	0.9
163.07520	0.6
165.07010	1.4
167.03474	0.7
167.07042	1.8
167.08438	0.7
168.05762	0.6
173.05998	1.0
173.13243	0.9
175.03925	1.1
175.07556	0.6
176.04616	1.0
177.09128	0.7
178.07802	0.9
179.08560	0.9
181.06500	1.5
182.07257	1.1
183.11661	0.6
186.03140	1.4
191.07063	6.2
192.05873	0.6
194.07291	0.7
195.08101	1.0
197.02368	0.8
197.09628	0.7
198.03107	0.6
199.03879	1.6
201.05505	2.6
203.03368	1.9
203.10637	0.7
206.07318	0.6
207.08084	1.0
209.06029	0.9
209.19434	0.5
210.06789	2.2
211.07552	1.5
214.02647	2.0
215.03415	1.3
221.05978	1.3
223.07571	1.7
224.08339	1.3
225.09117	2.2
227.03345	0.8
227.07065	1.9
228.04202	1.2
229.05014	3.2
229.07370	1.4
231.02901	4.1
237.05397	0.7
238.06154	1.3
239.07050	2.0
241.01399	1.9
241.08429	0.7
242.02144	6.5
247.08513	0.7
252.07758	1.0
253.08601	2.7
254.09354	1.4
255.06628	1.0
256.03702	1.2
257.04422	0.8
259.02371	2.8
267.06726	1.1
267.10056	2.1
269.00897	1.9
270.01587	3.0
270.08929	1.6
271.02515	1.5
274.04538	0.8
281.08060	1.3
283.09647	0.8
284.03299	1.1
284.10501	1.0
285.03998	10.5
285.11206	2.7
286.01187	0.9
286.04666	0.6
287.01889	8.8
295.09561	2.7
297.00250	1.6
298.08072	0.8
299.01868	1.6
299.09213	3.1
301.03406	2.1
302.04224	0.8
312.02567	1.9
313.03427	32.0
313.10715	24.0
314.04077	2.6
314.11523	3.0
315.01355	21.2
327.12445	0.8
329.02975	4.4
330.03711	30.6
345.06064	100.0
345.13226	10.0
345.27881	1.1
346.06378	1.4
359.34940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05511	9.3
57.03447	10.2
63.23867	2.7
64.92905	2.4
67.05502	24.3
68.69704	2.8
69.07069	22.7
70.02338	13.2
71.04993	10.4
79.04784	2.6
79.05492	28.5
81.03423	12.1
81.07053	19.8
83.04961	4.7
91.05484	18.5
93.07056	17.0
95.04977	17.4
95.08614	12.1
96.08936	2.8
97.06535	100.0
97.10165	2.9
98.20971	6.0
99.08102	7.3
105.07057	10.3
107.08608	8.0
109.06519	9.3
109.10174	4.2
111.08035	3.1
115.07571	23.0
117.07008	7.6
119.08599	7.6
121.06512	3.4
121.10162	5.1
123.08215	2.7
131.08566	8.1
133.10175	8.1
135.11691	5.4
135.93968	2.5
139.07558	3.4
145.10117	6.6
149.13274	5.2
159.11737	6.4
171.11720	3.9
177.12767	6.0
209.33487	2.5
223.13338	3.5
273.18478	4.5
291.19495	6.0
313.10721	8.5
344.12082	5.9
344.23056	3.1
345.13257	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
57.03434	1.4
57.95921	0.7
61.02909	1.4
69.03425	3.2
70.97073	1.6
81.03417	1.7
85.02417	1.1
85.02909	14.1
87.15919	0.6
91.05486	6.6
92.55303	1.0
95.01212	0.8
97.02904	3.7
102.82910	0.9
109.02880	1.8
119.04954	17.5
123.04439	2.4
127.03921	3.1
128.67668	0.8
131.04942	0.8
132.01508	0.7
145.04994	2.6
147.04413	100.0
154.08595	0.8
165.05486	41.9
166.05846	0.8
176.90337	0.7
180.08850	1.0
182.08202	1.1
191.07040	0.9
194.97488	1.1
212.98573	1.0
237.95641	0.8
243.13667	0.7
269.16937	0.7
299.01855	1.2
301.03220	0.9
313.10635	1.8
314.99545	1.1
343.99893	1.6
345.02359	2.5
345.13321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01859	0.8
55.05515	0.9
56.96569	4.6
57.03438	1.6
61.02932	2.5
67.05511	3.1
69.03432	7.2
70.06591	1.4
71.05004	1.6
73.02915	2.8
81.03428	4.0
81.07066	0.9
83.01366	0.7
83.04985	1.3
85.02914	11.1
87.04446	0.7
91.03938	0.8
91.05470	4.9
93.05762	0.7
93.87161	0.6
96.04480	0.7
97.02899	7.8
98.97608	3.8
99.04457	2.3
99.81645	0.6
101.00881	0.9
107.04989	0.6
108.08125	8.7
109.02867	2.8
109.75219	0.6
110.97566	0.6
112.99173	0.7
116.98636	2.1
118.06538	1.7
119.01904	2.7
119.04967	5.2
122.05993	0.8
123.04468	2.1
123.06847	0.9
123.67583	0.6
127.03909	5.2
128.98619	1.1
131.00166	0.7
133.01582	0.8
133.03375	0.9
134.99651	1.0
136.07588	100.0
138.05536	4.8
143.00208	0.9
143.01933	1.7
144.01991	0.9
145.01576	0.7
145.03462	1.7
145.05009	1.9
146.06013	4.3
146.99681	0.9
148.03931	1.7
148.07588	1.0
153.01808	0.9
154.94249	1.2
157.03532	0.9
163.02699	0.9
164.07076	32.7
165.05478	2.1
166.05023	5.8
171.01414	1.8
172.01534	1.8
172.95213	1.0
173.01317	0.9
173.02963	1.7
177.00702	0.8
179.02222	0.8
182.08134	57.9
183.07605	3.5
184.06139	1.1
185.01212	0.7
185.03004	1.4
196.01637	1.2
205.00142	0.7
214.02643	1.7
219.01826	1.3
226.02493	0.9
237.02768	1.6
241.07332	0.7
245.05043	1.2
248.05502	0.8
248.99295	1.6
254.02695	0.7
259.02420	1.1
267.00089	0.7
277.03479	1.8
291.97253	0.6
303.01447	2.4
308.11340	1.8
326.12445	3.2
344.09467	2.8
344.13394	47.8
345.02475	1.2
345.13199	1.9
362.00787	1.3
362.07355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03956	5.6
55.01859	8.0
55.05510	16.9
57.03424	6.5
57.07067	8.0
59.04981	5.4
64.48933	1.9
65.03925	3.7
67.05179	2.3
67.05511	32.8
68.99783	2.7
69.03421	9.7
69.07079	10.4
71.04995	19.1
71.58126	3.8
79.05495	33.3
81.03412	4.3
81.07063	44.4
83.04968	6.1
83.08617	4.7
85.06538	4.4
91.05487	58.7
92.64268	2.0
93.06466	4.1
93.07052	80.8
95.04974	51.1
95.08611	76.6
95.09226	3.3
97.06535	14.6
103.05438	3.1
105.07033	100.0
107.04950	7.8
107.08595	51.7
109.06540	15.3
109.10147	6.5
111.04420	2.5
111.08107	2.6
115.05453	5.9
117.07014	37.2
117.98755	2.0
119.04942	6.4
119.07788	2.9
119.08590	42.0
121.06512	15.6
121.10149	19.8
123.04417	18.4
123.08078	20.0
123.11699	9.5
125.05971	4.6
128.06212	5.8
129.06978	12.9
130.07759	13.6
131.08591	14.7
133.06494	8.6
133.10126	32.1
135.08058	27.1
135.11716	14.2
137.05960	7.4
137.09628	5.1
139.03886	7.6
139.07558	2.1
141.05478	5.6
142.07742	4.7
143.08569	18.5
145.06459	2.5
145.10130	64.8
147.04391	5.3
147.08032	13.5
147.11674	7.6
149.09602	3.6
151.07536	47.4
153.05463	34.3
153.09116	3.1
155.08499	2.9
156.09317	3.8
157.10088	9.9
159.08017	4.2
159.11703	36.0
161.09616	8.4
161.13293	31.5
163.11194	55.6
165.09125	15.7
167.03404	60.0
167.07039	7.7
167.08492	3.0
167.43961	2.1
169.10066	3.1
171.11708	7.4
173.09605	3.6
173.13257	4.6
175.11185	5.5
175.14885	3.2
177.05447	3.8
177.09123	6.1
179.07045	52.3
179.10632	2.6
181.04909	4.6
185.13264	14.2
187.11203	6.9
187.13239	9.9
187.14746	2.7
189.12767	6.0
191.07034	3.5
191.14301	2.6
195.06535	5.2
199.11099	3.1
201.12704	2.8
203.14320	32.9
204.03825	2.0
205.08566	3.3
207.10066	4.2
207.13751	6.0
209.13275	2.4
215.14386	2.6
221.15347	23.7
223.09692	5.6
223.14986	2.9
240.23190	4.0
241.15973	3.0
245.11583	2.3
263.16370	9.8
268.02957	2.1
269.15442	3.3
285.07651	4.5
286.19266	4.5
287.20190	2.6
300.10019	3.8
325.17917	6.5
325.21634	8.3
328.09390	14.6
343.11865	29.9
343.18939	47.9
343.22693	67.2
344.23065	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	344.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	1.2
65.42463	0.8
69.03440	1.8
69.26519	7.1
70.06575	0.8
85.02921	1.3
97.02922	1.6
98.06048	1.0
98.21538	1.2
98.97578	1.6
112.07611	16.1
122.04568	1.6
127.03902	1.0
130.08647	0.9
137.06084	0.8
140.05623	3.1
152.05629	1.0
153.01790	4.7
154.03445	1.3
157.05920	0.9
158.05338	1.7
158.06642	34.0
159.06825	1.1
170.06622	4.0
171.04272	0.7
172.04535	1.5
175.07022	1.1
176.07690	20.0
182.08168	1.6
188.07726	14.5
215.05141	14.2
225.10841	12.1
233.06200	49.0
234.06291	0.8
239.12401	1.7
243.11932	5.6
247.07719	1.3
251.12421	50.7
252.12651	1.4
256.07794	1.6
263.12415	28.6
269.13452	26.3
281.13470	100.0
282.13663	2.6
288.92856	0.8
292.15018	1.0
295.15424	0.8
304.15179	1.6
344.13217	1.6
345.02502	2.2
362.17584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19393	0.9
53.03940	2.9
55.01877	1.2
57.03428	2.6
59.87562	0.9
61.02917	2.5
61.05686	1.0
66.85999	0.9
69.03436	17.4
70.95406	2.3
73.02915	2.0
78.03454	16.1
80.05026	2.5
81.02977	1.7
81.03424	24.0
83.05006	1.0
85.02909	25.0
89.06036	2.5
95.04980	2.2
96.04507	4.2
97.02897	9.6
99.04463	4.5
106.02922	71.9
109.02876	14.6
115.05453	0.9
119.04929	0.9
121.04607	0.9
122.06037	50.5
124.03960	100.0
125.04264	0.9
127.03905	11.5
131.04927	1.1
133.08611	1.6
136.07515	0.9
145.04965	3.7
147.04404	2.5
154.04974	4.0
164.07126	5.1
164.66187	0.9
166.05006	2.0
171.04373	1.3
182.08133	42.0
199.03975	1.7
206.08231	0.9
215.03461	1.6
227.03366	1.2
232.06151	5.4
243.02931	2.4
250.07132	29.8
255.02890	2.1
268.08182	29.5
271.02432	3.0
273.03931	1.8
283.02301	1.1
299.01883	6.4
301.03326	4.5
317.02875	1.2
327.01398	1.1
344.13300	3.2
345.02429	14.9
345.13498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
61.02922	1.2
69.03419	2.7
69.76911	0.7
71.10508	1.5
81.03399	2.2
85.02908	16.1
91.03931	0.8
91.05489	4.5
97.02901	4.3
98.20995	1.1
109.02895	1.8
116.89415	0.8
119.04951	18.2
123.04414	3.0
127.03909	3.4
131.04955	1.1
145.04962	2.5
146.37753	0.8
147.04416	100.0
165.05489	52.2
165.06641	0.9
180.08691	1.5
182.08156	1.1
189.63873	0.7
191.07068	2.6
215.71330	0.8
299.01752	1.1
313.10712	2.5
344.13132	1.2
345.02423	1.1
345.13336	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(-)-Siccanin
Peak:m/z	Relative Intensity
50.45390	1.3
51.02341	1.3
53.03943	2.8
55.01870	4.0
55.05512	9.0
57.07076	1.9
65.03964	1.9
67.05504	23.0
68.99794	10.0
69.03429	2.3
69.07066	9.9
69.55366	9.1
74.06130	1.3
77.03922	1.4
79.05497	31.1
81.03416	2.2
81.07056	30.3
83.04977	4.1
83.08625	4.5
91.05486	20.2
93.07050	46.4
95.04970	4.8
95.08612	22.2
97.06528	7.6
97.10164	3.2
98.20889	4.1
105.07030	12.4
106.07436	1.7
107.04948	2.3
107.07861	1.8
107.08594	32.8
109.06511	3.3
109.10159	8.3
111.00809	17.2
111.04438	7.0
111.08127	1.7
117.07005	3.7
119.08572	14.2
121.06490	3.0
121.10151	23.2
123.08105	2.4
125.05973	2.3
125.09644	1.5
127.03930	4.1
129.07002	2.9
131.08566	4.6
133.10135	9.7
135.08073	3.3
135.11682	22.7
139.03902	10.7
139.07523	2.3
141.05443	1.7
143.08586	2.4
145.10155	4.5
147.08092	2.3
147.11690	3.8
149.05969	2.5
149.09619	2.4
149.13258	10.6
151.07553	2.3
153.05463	3.2
157.10127	2.6
159.11684	5.4
161.13286	9.3
163.14818	6.0
165.05434	2.4
165.09123	3.2
167.03426	7.0
167.07021	2.7
171.11653	3.6
173.13287	2.4
175.14827	3.8
179.07014	2.2
181.08623	3.6
183.11682	2.0
185.13300	4.4
189.16425	1.7
193.08606	2.0
195.10162	3.2
197.13248	1.4
199.14816	1.9
201.12752	2.5
203.14461	1.7
209.11757	4.2
215.14316	2.2
217.19560	1.7
221.11827	2.1
223.13255	4.1
235.13242	1.9
237.14778	3.1
241.19518	5.1
249.14870	5.2
249.32068	1.4
251.16405	2.1
259.13266	1.8
261.14816	2.4
263.16403	5.6
273.14853	4.1
275.16473	2.1
277.18021	2.4
283.17142	1.6
287.16507	7.5
301.18011	8.3
301.21518	3.4
315.19522	5.6
325.21762	4.0
343.22678	100.0
344.23181	2.7
359.64450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Metachromin U
Peak:m/z	Relative Intensity
51.02376	1.5
52.79132	1.4
53.03942	3.4
55.01862	5.5
55.05278	1.7
55.05508	14.0
57.07061	2.5
65.03931	3.4
65.21088	1.4
67.01862	2.0
67.05173	2.4
67.05505	32.1
68.99794	14.9
69.07068	13.5
70.82670	3.5
71.04964	1.4
71.75468	1.5
79.05067	2.8
79.05497	49.4
81.03410	2.9
81.07056	45.5
83.04966	5.5
83.08614	7.5
85.10165	1.6
91.05479	45.1
93.07045	74.4
95.04980	10.1
95.08049	2.6
95.08609	33.7
97.02872	1.5
97.06535	12.0
97.10160	4.6
103.05458	2.2
105.04505	2.2
105.07028	43.7
107.04947	5.8
107.08597	42.1
109.06535	3.8
109.10175	11.6
111.00809	21.7
111.04417	6.1
111.08056	3.9
115.05432	2.1
117.07011	12.1
119.04890	2.3
119.08578	38.9
121.06493	3.3
121.09333	2.9
121.10155	37.1
123.04430	12.0
123.08047	2.8
123.11697	4.7
125.05959	4.3
125.09563	2.2
127.03911	6.2
128.06213	1.7
128.97202	1.3
129.07007	7.5
131.08597	13.0
133.10132	22.8
135.08047	5.6
135.11690	34.0
137.05968	2.4
137.09595	4.8
139.02908	2.0
139.03911	15.5
139.07489	2.6
141.05453	6.2
143.08589	10.5
145.10100	7.1
147.04367	2.6
147.08005	5.0
147.11688	10.9
149.05945	2.0
149.09621	2.9
149.13240	16.7
151.07515	5.2
153.05469	27.5
153.09064	3.0
157.10133	5.5
159.10443	2.1
159.11699	28.6
161.05940	2.0
161.09624	2.2
161.13260	52.8
163.07520	2.0
163.11227	2.4
163.14813	6.5
165.05487	3.6
165.09084	2.0
167.03407	73.8
167.07042	5.1
167.10640	2.8
169.10098	2.6
171.11644	4.8
173.09633	2.4
173.13269	4.2
175.11241	2.1
175.14832	10.5
177.05432	1.9
177.09198	1.7
179.07036	27.3
179.14302	1.6
181.08626	3.6
183.11655	2.6
185.13268	15.8
189.16356	1.8
195.06496	7.1
195.10173	4.5
199.14842	1.8
201.12782	2.0
201.16483	1.6
203.14342	23.0
205.08659	2.2
207.10146	3.0
209.08044	6.2
209.11737	8.6
215.10535	1.7
217.19357	1.8
221.11725	2.2
223.09592	2.2
223.13286	4.0
227.14226	1.6
229.12202	1.9
231.13602	1.4
235.13411	2.9
237.14833	4.5
241.19502	4.8
243.13834	2.9
249.14958	4.2
251.16397	2.7
259.13348	2.9
261.14774	2.4
263.16412	5.4
269.15329	1.9
273.14914	3.5
277.18152	2.0
287.16452	10.1
297.22165	1.6
301.17917	6.5
301.21310	2.7
315.19659	5.3
325.17929	7.5
325.21585	5.4
343.18967	18.4
343.22665	100.0
343.37650	3.4
344.23032	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	343.2268
Annotation	Metachromin U
Peak:m/z	Relative Intensity
50.89619	0.5
51.02374	0.7
53.03940	1.2
55.01871	1.5
55.05510	7.9
57.07080	3.7
65.03944	1.5
65.08687	0.6
67.05169	1.1
67.05507	18.3
68.99791	5.5
69.03413	0.6
69.07066	8.1
71.08210	1.2
71.08617	0.8
79.05498	9.1
81.07058	19.7
83.08620	5.2
85.10210	0.9
91.05483	12.4
93.07050	10.6
95.04970	1.7
95.08604	17.4
96.35788	0.5
97.02921	0.6
97.10158	2.5
103.05472	1.1
105.07028	8.3
105.24446	0.5
107.04982	1.7
107.08592	6.6
109.06509	0.7
109.10155	6.6
111.00801	5.7
111.04490	2.6
111.11722	0.7
117.06999	2.1
119.04937	1.9
119.08587	6.8
121.02851	0.6
121.06490	1.7
121.10145	7.2
123.04428	12.3
123.11707	3.0
127.03930	2.7
129.07010	1.1
131.08563	2.1
132.47687	0.5
133.06493	1.1
133.10152	6.7
135.04413	1.2
135.08069	0.6
135.11702	3.4
137.05980	4.7
137.13235	1.7
139.03903	100.0
140.04216	1.7
143.08565	1.1
147.04419	1.5
147.08069	0.6
147.11684	3.7
149.02264	0.7
149.05977	7.9
149.13258	0.8
151.03867	2.9
151.14827	2.6
153.01830	5.2
153.05486	2.9
155.03391	1.5
157.06433	0.7
157.10121	1.0
160.05183	0.7
161.05936	1.3
161.13226	1.8
163.03905	54.2
163.07547	1.4
164.04263	0.5
165.05470	11.4
167.03352	1.1
167.07037	0.6
173.13290	1.1
175.07619	0.7
175.14828	1.7
176.04688	1.8
177.05476	11.1
177.09116	2.5
177.16373	0.8
179.07033	1.0
179.17960	0.9
189.05469	5.3
189.09070	0.9
190.06212	0.8
191.07018	9.4
191.17998	4.3
192.84099	0.6
193.08655	1.0
199.14931	0.6
203.07033	26.9
204.07672	1.2
205.08614	10.5
205.19516	3.8
217.08617	10.7
217.15939	0.6
217.19499	9.7
219.10162	1.2
231.10159	4.3
233.11691	0.9
234.55853	0.6
240.23186	0.8
245.11711	3.8
247.13266	3.6
247.16806	0.8
259.20557	1.3
261.14764	4.3
265.85135	0.7
273.14798	0.8
275.16467	6.8
287.16360	0.8
301.18106	0.9
315.19656	0.8
325.18289	0.7
325.21826	0.8
343.19101	5.2
343.22672	62.1
343.37329	1.0
344.23068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1905
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
55.01870	1.8
55.05511	3.6
57.07072	1.5
62.29391	1.0
67.05503	7.6
68.99792	1.4
69.03421	1.5
69.07069	3.3
69.67201	3.3
69.67618	3.6
72.08134	0.9
79.05490	10.8
81.07061	13.8
83.01325	2.2
83.04957	2.9
88.79870	1.0
91.05486	23.4
93.07049	15.2
95.04961	2.2
95.08607	5.2
97.53201	1.0
98.21335	2.5
103.05453	1.3
105.07036	33.5
107.08619	5.8
109.06524	1.1
117.07029	14.8
117.53306	0.9
119.07781	1.9
119.08586	28.4
119.09448	1.4
121.10148	3.4
123.04398	1.1
125.05972	2.2
128.06255	2.0
129.06998	4.1
131.08559	6.7
133.06473	3.0
133.10144	17.8
135.11708	1.6
137.05962	2.5
137.09547	1.1
139.03847	1.1
141.05463	5.8
143.08559	8.4
145.10114	3.0
147.08038	2.4
147.11662	2.2
151.07529	6.2
153.04297	1.8
153.05475	23.3
157.10196	2.4
159.10429	2.1
159.11708	32.5
161.06021	1.8
161.13269	53.5
161.63101	1.1
162.13654	1.2
163.11241	1.7
167.03406	100.0
167.07025	3.2
169.04976	3.5
173.13214	1.8
175.14793	5.8
177.05424	2.9
179.07043	19.5
185.04411	1.1
185.13258	19.4
191.07059	1.6
195.06564	8.3
196.63525	1.1
203.14326	32.2
205.08574	4.4
207.10068	1.7
209.08156	5.7
223.09618	6.0
259.13446	1.7
283.38574	1.1
325.18033	12.4
336.69153	1.1
342.37344	3.3
343.19092	24.4
343.26074	2.2
343.37729	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	343.1904
Annotation	(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Peak:m/z	Relative Intensity
53.03939	3.1
55.01870	3.0
55.05498	6.1
57.07057	1.5
63.72209	1.6
66.04713	1.5
67.05499	13.3
68.06588	1.4
68.99766	2.7
69.07048	4.5
70.91690	4.0
79.05495	19.3
81.07057	16.8
83.01322	1.6
83.04980	2.4
91.05486	36.6
92.79628	1.5
93.07056	19.2
95.04975	7.6
95.08598	7.0
98.21204	2.1
103.05479	3.2
105.07032	45.3
107.04948	4.7
107.08601	9.9
109.06512	2.8
109.10163	1.5
111.04450	2.0
115.05476	1.9
117.07016	27.1
119.04917	3.7
119.08584	27.7
121.06521	2.4
121.10156	4.8
123.04435	31.6
123.08036	1.6
125.05979	2.8
127.03930	3.7
128.06244	4.3
129.07011	10.5
131.08543	9.8
133.06506	2.6
133.10127	26.1
135.07945	1.4
135.11684	2.4
137.05963	10.7
139.03911	10.4
141.05444	12.5
142.07767	1.7
143.08548	15.4
145.10094	3.7
147.04462	6.7
147.08064	2.8
147.11691	4.5
151.07547	22.3
152.00981	2.8
153.01804	4.7
153.04300	2.9
153.05475	48.5
155.07019	2.9
157.10042	3.6
159.11705	48.7
161.09575	2.3
161.13260	40.5
163.03944	3.1
163.07523	2.7
164.04700	3.8
165.05437	4.1
165.09021	1.6
167.03404	100.0
167.07085	13.7
169.04973	3.2
171.11647	2.3
173.13297	3.0
175.14792	6.8
177.05438	7.6
179.07042	84.4
181.04971	4.5
181.08586	2.1
183.11684	1.7
185.13268	19.4
189.12782	3.1
191.07036	3.9
193.99863	1.8
195.06598	9.0
203.14325	49.9
205.08609	6.1
209.08090	2.6
223.09639	8.6
226.72087	1.5
231.10124	3.9
240.23257	1.5
325.18011	8.9
343.19034	59.3
343.22543	4.1
344.19382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1903
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
53.03946	3.1
55.01867	3.0
55.05508	2.6
58.72380	1.3
62.24493	1.1
67.05506	12.6
68.99792	3.7
69.07062	2.9
69.93494	2.5
69.93898	3.0
72.94737	1.2
73.19192	1.3
79.05497	16.7
81.07059	18.4
83.04979	2.5
91.04971	2.2
91.05486	30.9
93.07047	20.6
95.04987	3.6
95.08618	7.5
98.21264	3.2
105.07037	37.4
107.04996	1.6
107.08606	10.3
109.10134	1.6
109.55385	1.3
111.00784	2.2
115.05437	1.8
117.07020	13.9
119.08582	38.7
121.06540	1.7
121.10165	7.7
123.04424	13.1
123.08044	1.9
124.01615	1.4
125.06015	1.5
128.06253	1.4
129.06978	4.2
131.08582	9.7
133.10133	21.3
133.45247	1.2
135.11681	4.8
137.05986	3.4
137.09612	4.3
139.03883	4.0
139.07645	1.4
141.05496	9.2
143.08623	6.6
145.10069	3.2
147.04475	2.9
147.08055	2.5
147.11705	3.5
149.13257	2.8
151.07573	6.7
152.01161	1.5
153.05472	34.4
157.10185	1.5
159.11702	37.4
161.09618	1.5
161.13263	61.2
163.07487	1.7
164.04546	1.7
167.03412	100.0
167.07088	4.3
169.04907	2.8
170.02115	2.7
173.13295	2.1
175.14832	6.7
177.05484	3.7
179.07039	33.4
185.13271	20.8
191.07103	1.6
195.06540	9.8
203.14330	29.9
205.08807	2.1
207.10210	3.6
209.08115	6.0
209.11728	2.2
223.09677	5.4
231.10202	1.5
238.01328	1.4
259.13519	2.1
324.43445	1.8
325.18048	11.7
325.52933	1.3
343.19012	29.7
343.22751	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	343.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	2.3
55.05501	3.1
58.76915	0.9
63.42944	1.0
67.05504	8.3
68.99775	2.5
69.03454	1.1
69.07051	2.5
71.05026	1.3
73.02901	0.9
79.05493	14.8
81.03434	1.1
81.07064	9.3
83.04980	2.2
91.05489	26.8
93.07048	13.0
95.04967	4.3
95.08614	5.0
98.20862	5.6
98.21562	1.9
105.06380	1.8
105.07035	24.6
107.08593	9.7
109.10170	1.4
115.05476	1.3
117.07021	11.0
119.07884	1.2
119.08585	29.6
121.06550	1.4
121.10136	2.8
123.04446	5.6
124.01588	1.3
129.06981	3.7
130.07846	1.2
131.08559	6.3
133.10130	13.4
135.07999	1.1
135.11736	1.1
137.05966	4.2
137.09584	2.5
139.03900	2.3
141.05429	5.2
143.08556	4.6
145.10109	2.1
147.11667	1.7
149.13231	1.1
151.07509	3.6
152.01096	1.6
153.05473	24.8
157.10167	2.2
159.11700	18.4
161.06155	1.2
161.09654	1.3
161.13268	35.3
163.03848	1.9
165.05467	1.4
167.03410	100.0
167.07042	4.4
168.03755	1.9
169.04999	2.5
175.14839	4.1
177.05548	2.2
179.07042	13.4
185.13287	9.8
195.06506	6.3
203.14357	16.7
205.08560	3.3
207.10156	1.1
209.08136	2.8
223.09659	3.0
223.18202	1.1
232.60878	1.0
235.09764	1.3
245.11729	1.4
259.13461	1.5
284.66605	1.1
325.17984	7.1
342.37436	2.7
343.19055	19.8
343.37747	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27726	1.1
53.03937	1.4
55.01876	2.4
55.05508	3.6
58.70176	1.0
62.97974	1.1
65.03942	1.6
65.64645	1.2
67.05508	10.2
68.99754	2.5
69.07066	3.5
69.93568	2.4
69.93986	4.1
71.04990	1.4
79.05495	13.2
81.07060	14.0
91.05486	27.2
93.07054	17.5
93.41476	1.2
95.04958	4.1
95.08614	5.8
98.21225	3.0
103.05495	1.8
105.07033	38.7
107.04960	1.6
107.08588	4.4
109.06557	1.3
111.04465	1.3
115.05492	1.6
117.07011	11.3
119.04941	1.7
119.08583	36.4
121.10148	4.6
123.04430	12.7
123.72678	1.2
129.07018	4.6
131.08560	9.0
133.06520	1.4
133.10133	16.3
135.08109	1.1
135.11734	1.9
137.05989	3.3
137.09593	4.1
139.03903	2.8
141.05464	7.3
142.33873	1.1
143.08598	6.3
145.10172	1.5
147.04413	1.8
147.07991	2.8
147.11682	2.4
151.07556	8.5
152.01077	3.0
153.01924	1.2
153.05478	36.0
157.10103	1.7
159.11693	30.1
161.13266	62.3
162.13628	1.1
163.03935	1.3
163.11284	1.3
164.04680	1.5
167.03410	100.0
167.07057	4.3
169.05006	1.3
170.02136	2.9
175.14859	6.7
177.05457	2.6
179.07039	33.0
179.08545	2.3
185.13258	22.3
191.07001	1.4
195.06578	9.2
203.14331	31.2
203.16167	2.1
205.08604	3.2
207.10178	3.3
209.08057	6.2
214.99297	1.2
223.09691	5.7
325.17978	11.0
343.15079	2.4
343.19067	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
52.89683	1.2
55.01870	2.2
55.05509	1.2
56.04122	1.1
61.14305	1.1
67.05495	2.8
69.01537	1.0
69.03419	3.8
72.35130	1.0
76.96442	1.2
79.05489	4.1
81.07043	4.4
83.08607	1.1
86.99065	1.4
91.05460	5.3
93.07052	2.9
95.04947	2.0
95.08611	2.9
98.11363	1.0
98.20749	3.7
98.21472	3.5
103.05470	13.6
105.07026	17.2
107.04917	6.5
107.08582	1.6
109.06504	3.7
109.10159	3.3
115.05434	7.7
117.07058	1.5
118.04174	2.2
119.01667	2.6
119.08574	2.3
121.06473	1.2
121.10138	1.6
122.03658	1.9
123.07997	1.5
129.06978	1.6
131.04010	1.8
131.04932	21.2
133.06505	9.2
135.08055	2.0
135.11647	1.3
137.05981	29.1
141.06975	3.5
141.48587	1.1
145.06500	1.8
146.03633	12.4
147.04391	2.9
149.05956	2.4
151.07565	7.5
160.05188	1.7
161.05986	100.0
162.06407	3.2
163.07545	39.2
165.07022	3.2
166.07791	2.2
167.08577	1.4
169.06403	3.0
175.07550	43.0
176.06163	1.5
176.07796	1.3
177.06953	2.5
177.09100	1.9
178.07736	3.6
179.08551	6.2
181.04950	1.1
181.06482	3.0
181.83281	1.1
182.07434	1.2
189.07043	3.1
189.90681	1.2
190.07809	7.8
191.08597	2.7
193.06410	1.5
194.07301	12.3
195.08087	3.5
196.08879	1.2
197.05934	1.6
201.09050	3.0
202.07918	1.6
203.08588	2.4
204.09262	1.4
205.06577	8.2
205.08296	2.1
205.10109	10.0
207.08063	10.0
208.08781	2.9
209.06020	1.5
209.09608	3.3
210.06775	2.5
211.07521	3.1
215.08595	4.2
218.07281	6.4
219.08073	3.4
219.91487	1.2
220.08774	1.4
221.06100	7.7
221.09573	3.9
222.06741	10.6
222.10336	3.1
223.07524	4.5
224.08292	7.4
232.08769	4.6
233.05946	3.1
233.09618	18.1
234.06693	3.8
234.10394	3.8
235.07538	12.6
236.08322	4.4
237.05450	5.1
237.09103	14.0
238.06070	2.0
239.07042	2.8
239.10678	5.0
240.07793	1.1
241.08548	2.5
247.07542	2.3
249.05418	2.4
249.09149	4.0
250.06273	12.5
250.09871	8.4
251.06987	4.3
251.10733	2.5
252.07886	5.2
253.08595	3.7
254.09416	1.4
255.10201	1.8
260.08261	1.8
261.09113	13.3
262.09937	3.8
263.07129	5.9
264.07831	4.7
265.08594	38.7
265.12146	10.4
266.09250	1.6
267.06567	1.4
267.10254	11.0
269.08136	8.6
277.08566	2.5
278.09366	11.6
279.10086	3.5
281.08121	2.8
282.08780	3.1
283.09866	1.9
283.13205	3.4
284.10538	6.4
284.13330	1.3
293.11707	24.5
294.12332	2.2
295.09589	3.7
296.10303	2.4
297.11227	21.5
299.12775	18.9
300.09967	1.6
310.11923	4.9
311.12766	76.9
312.13251	1.9
325.06683	1.3
325.10672	1.7
325.14322	12.2
343.11682	12.8
343.15390	49.8
343.22009	2.2
343.26236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03937	6.2
55.01883	6.2
55.05510	5.3
57.03428	5.7
58.61384	1.2
61.02923	8.0
65.03926	2.1
67.05505	4.0
69.03435	25.3
69.07075	8.3
69.79077	7.2
70.99570	1.3
71.04995	3.7
73.02920	5.4
79.05492	16.3
79.37546	1.4
81.03421	12.8
81.07063	8.3
83.04979	2.4
83.08606	2.5
85.02903	57.2
85.06532	1.9
87.04459	4.5
91.03957	4.3
91.05493	10.2
93.07045	24.2
94.07366	1.4
95.04990	4.4
95.08594	3.7
97.02898	21.0
97.06539	16.9
98.21047	3.7
99.04463	5.0
100.11258	13.6
103.05428	1.5
105.07050	9.3
107.04958	5.1
107.08601	15.5
109.02875	8.4
109.06515	5.0
109.10146	1.8
111.08073	1.5
115.05448	1.6
117.07030	5.5
119.08587	20.1
121.06507	10.6
121.10145	29.0
127.03909	14.0
128.06224	1.4
129.07016	6.0
130.07800	3.1
131.04875	1.9
131.08577	1.4
133.06487	1.9
133.10098	1.8
135.08015	2.0
135.11739	11.5
137.05948	6.6
139.11217	1.8
145.04976	7.7
145.10117	26.6
151.03934	2.1
153.12773	4.8
157.06509	3.0
161.05972	4.4
163.07545	3.9
163.11186	62.3
165.06993	1.6
165.12729	3.0
167.07065	6.7
171.06598	1.3
174.06778	3.9
175.07593	3.8
181.04990	13.9
181.08670	12.8
181.12234	100.0
182.12607	1.8
189.09093	10.6
209.16464	1.7
216.09082	1.3
279.10101	1.8
279.12958	1.6
283.13464	1.6
297.11304	2.5
299.12622	3.0
311.12766	4.3
325.08279	1.6
325.14514	2.1
343.04526	3.5
343.11469	3.2
343.15485	6.2
343.17773	2.1
343.30649	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
57.03430	5.4
61.02919	2.3
69.03413	6.5
71.03323	2.2
71.04955	3.6
71.08614	9.3
71.08969	2.0
71.14468	4.1
73.06549	9.4
75.90524	2.1
77.33294	2.0
77.79664	1.8
78.99768	2.0
79.05486	2.7
81.03413	3.0
81.07069	16.9
81.15895	2.0
83.04974	2.2
85.02919	17.1
93.53786	2.1
97.02902	10.9
98.20864	2.6
99.04480	3.0
99.08096	22.1
109.06530	20.3
114.90388	1.9
117.09144	100.0
127.03881	5.1
127.07559	45.4
145.04892	2.9
153.01775	2.4
163.03914	5.3
163.09668	22.7
180.06537	3.6
180.08643	5.2
180.12238	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.8
57.03433	7.6
59.05000	2.0
60.97152	1.8
61.02935	1.9
69.03432	7.6
70.06594	3.3
71.05000	4.3
71.08622	5.1
72.04523	4.9
75.01164	1.9
79.05508	4.7
81.03421	6.9
81.07059	15.9
85.02910	16.5
85.06535	2.5
90.05568	4.4
91.05467	11.9
97.02893	7.7
99.04459	2.6
99.08092	23.7
109.02885	4.4
109.06521	19.4
117.09135	100.0
120.08083	4.1
123.07941	1.6
127.03945	5.3
127.07563	47.8
132.06581	2.3
137.05969	3.7
138.09135	2.9
142.25066	1.7
145.04988	4.8
145.08650	1.7
153.01834	6.6
163.09677	25.0
198.07564	2.2
208.07889	2.3
234.09624	2.1
342.15408	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.2
57.03419	1.4
57.07073	15.4
61.02909	2.8
68.38937	1.4
69.03419	3.7
69.07041	2.6
69.24959	2.9
69.25364	11.8
81.03425	2.9
81.07061	1.9
83.08607	2.8
85.02912	18.8
85.84090	1.3
86.09695	3.1
89.06031	40.2
97.02901	5.6
98.21252	7.4
101.09663	15.5
105.14415	1.6
107.07067	39.5
109.02881	2.4
121.10207	2.1
123.04401	1.5
127.03919	3.1
133.10062	1.5
137.05975	3.7
139.11208	1.6
145.04956	2.7
163.13298	100.0
192.57759	1.7
205.85432	1.5
229.74190	1.5
241.14642	1.4
247.54266	1.4
282.08545	1.7
310.11551	1.7
342.22910	1.7
343.04434	2.0
343.11670	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81796	1.7
56.96568	3.6
70.98261	1.5
70.98610	4.0
98.20802	1.6
98.97582	15.5
116.98632	11.2
127.96186	1.8
134.99678	3.7
174.97682	1.6
177.01004	8.1
201.00987	1.7
216.98712	8.4
218.98712	3.2
219.01962	11.6
220.02069	3.6
234.96382	3.7
234.97746	1.7
234.99870	17.5
235.99940	1.9
236.99588	7.7
240.98900	4.1
243.02002	2.3
253.01041	3.9
258.96906	3.0
258.99942	29.7
260.00156	1.8
261.03079	20.9
264.99057	3.3
273.01227	1.6
276.97522	9.5
277.01047	25.7
282.99994	81.7
284.00125	6.9
284.99747	1.6
300.97644	14.2
301.01001	100.0
301.98062	1.4
302.01144	9.0
303.01297	1.7
308.49350	1.4
318.98709	23.8
319.02182	5.5
324.02744	2.8
325.01086	10.4
333.00430	1.5
342.98605	4.3
343.02112	61.1
344.02264	2.9
360.99216	8.3
361.03534	14.2
366.03769	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	343.1236
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01880	9.5
56.96574	8.0
64.14455	6.6
69.03426	36.3
69.31608	53.1
73.02914	13.0
81.03430	11.4
85.02909	100.0
97.02910	33.8
97.19939	6.1
98.21416	16.4
99.04440	13.5
109.02843	12.2
115.02415	7.7
119.01907	10.1
127.03927	76.2
128.38176	7.1
129.79855	6.1
145.04971	48.8
158.82234	6.2
161.02977	10.4
172.95073	6.6
173.02957	8.3
198.98613	14.7
205.24820	6.3
251.02394	8.3
277.03436	6.6
303.01407	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.9
55.01879	12.0
55.05512	33.7
57.03422	6.8
57.07065	3.8
58.32563	2.3
62.75986	2.2
62.90472	2.3
65.03952	3.2
67.05507	61.5
68.99758	2.7
69.03073	3.9
69.03430	57.4
69.07061	27.4
71.01350	5.3
71.04995	18.5
71.09960	4.6
72.42104	2.5
73.02892	4.3
73.06560	2.3
79.05060	3.4
79.05492	52.9
79.05951	3.4
81.02976	4.3
81.03423	62.6
81.07056	100.0
83.04982	36.7
83.08627	19.9
85.02901	20.2
85.06536	14.9
87.04436	2.3
91.05476	52.7
93.07050	63.6
95.01326	2.6
95.04964	17.4
95.08610	87.2
97.02885	22.6
97.06517	20.1
97.10163	7.4
98.20910	3.0
99.04466	13.2
99.08090	7.0
100.11265	5.1
101.06058	3.0
103.05483	3.3
105.07034	57.5
107.04971	11.5
107.08594	35.0
109.02859	15.5
109.06527	19.9
109.10155	31.6
111.04420	9.4
111.08073	9.1
115.05478	5.5
116.06258	3.0
117.03348	2.8
117.07035	18.2
119.04931	3.8
119.08578	42.3
121.06497	18.2
121.10149	20.7
122.03621	4.3
123.04412	3.9
123.08094	13.2
123.11697	11.6
123.21008	2.4
125.05979	4.4
125.09618	5.4
127.03910	18.5
128.06218	6.1
129.06970	13.2
131.04907	6.1
131.08549	16.8
133.06508	18.4
133.10126	27.0
135.08035	16.0
135.11685	18.1
137.05980	50.4
137.09584	8.3
137.13272	4.5
139.07494	3.9
139.11110	3.2
141.07004	3.3
143.08540	10.8
145.06508	5.0
145.10100	13.7
146.07286	3.5
147.04430	3.7
147.08051	11.1
147.11661	11.4
149.05978	11.0
149.09608	4.6
149.13281	5.5
151.03954	3.2
151.07538	46.9
151.11159	6.4
153.05447	5.4
153.09052	3.5
154.12238	5.0
155.08479	3.5
157.10130	10.8
159.08101	7.5
159.11652	11.8
161.05963	7.7
161.09595	10.9
161.13275	28.8
162.06691	3.1
163.03755	2.6
163.07524	6.7
163.11177	5.3
163.14813	5.1
165.09065	6.6
167.07065	6.1
169.10088	4.0
171.08069	3.5
171.11678	6.6
173.09734	2.9
173.11714	7.9
173.13303	8.2
175.07562	13.0
175.11131	4.1
175.14857	5.2
177.09099	8.9
177.12790	5.0
177.16492	2.4
179.10680	10.0
179.14311	9.9
181.05028	3.1
182.15413	3.6
185.09711	3.6
185.13269	3.6
187.07597	13.5
187.11263	3.7
189.09059	6.9
189.12697	4.9
189.16335	4.0
190.07721	2.9
191.08595	3.4
191.14389	7.1
195.13789	4.9
201.12700	4.8
203.08528	3.2
203.14384	4.7
207.12032	2.9
207.13834	10.9
209.15375	11.6
210.14894	3.9
217.08649	8.4
219.08057	6.1
219.13823	5.9
220.08804	3.0
221.15356	6.1
225.14864	12.1
231.08127	4.7
234.06758	4.7
235.07533	3.7
235.13412	3.9
235.17007	4.0
237.09099	4.1
237.14883	17.7
238.09940	4.4
240.07816	3.7
248.08270	5.0
249.09206	5.5
249.14767	2.8
251.07056	3.4
251.10602	3.3
251.16472	11.3
253.08444	2.8
253.12212	2.8
259.16867	3.5
263.10715	5.2
263.16400	10.2
265.08542	5.8
266.09305	6.8
267.10342	3.4
269.15323	3.0
275.16400	3.0
277.08600	7.3
277.18109	6.7
279.10037	3.6
280.11066	7.9
281.11771	7.7
283.09601	5.9
287.16370	14.7
291.10056	9.6
293.17386	4.6
295.09592	5.9
297.11200	4.0
305.17471	39.4
305.24878	5.9
309.11221	18.9
310.11780	4.3
311.09149	3.8
313.14346	11.1
323.12595	6.2
323.18521	54.0
323.25659	5.1
326.11465	4.3
341.10275	4.1
341.13837	58.3
341.19974	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	341.2112
Annotation	14-(4'-Hydroxybenzoyloxy)dauc-4,8-diene
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	1.2
55.05511	4.2
57.07071	1.9
60.94269	0.8
65.03943	1.3
67.05176	1.3
67.05508	22.1
68.99798	6.9
69.03412	1.6
69.07066	6.0
71.24174	1.8
79.05496	16.9
81.06583	1.8
81.07060	34.2
83.08605	2.3
83.51679	0.9
91.05479	18.0
93.07048	14.5
95.04973	2.3
95.08613	26.5
97.02914	1.2
103.05537	1.2
105.07034	14.6
107.04945	1.4
107.08591	8.9
109.10155	6.5
111.00821	7.4
111.04457	4.5
115.05456	1.5
117.07033	10.5
119.04935	1.3
119.08575	10.4
121.06530	2.1
121.10150	8.8
123.04437	8.8
123.11678	3.1
127.03908	1.8
129.06987	2.2
131.04936	1.0
131.08583	16.0
133.10132	10.3
135.11687	6.2
137.05981	6.8
137.13271	4.8
139.03909	100.0
143.08566	2.0
145.06506	0.9
145.10135	10.6
147.04466	1.0
147.08038	1.6
147.11687	8.1
149.02336	1.1
149.05959	2.5
149.13225	6.2
151.03867	2.1
151.07533	1.3
153.05492	5.1
155.07138	1.0
155.08540	1.7
157.06485	0.9
157.10071	1.5
159.08063	2.3
159.11693	13.3
161.05980	1.4
161.13272	3.8
163.03908	20.1
163.07550	1.6
163.14812	2.4
165.05496	11.2
167.03445	4.6
167.07027	13.2
169.10196	1.3
171.11665	1.3
173.13268	5.3
175.07578	1.5
175.14821	2.2
177.05475	5.8
177.09122	2.6
177.16377	2.0
179.03448	1.1
181.04951	0.9
181.08600	0.9
186.24738	0.9
187.11171	1.0
187.14813	8.0
189.05539	5.3
189.09027	1.6
189.16406	13.2
191.07050	13.4
191.17943	1.8
193.08621	2.6
197.13440	0.9
201.05621	1.1
201.12778	1.5
203.07036	21.5
203.10759	0.9
203.17995	5.8
205.08612	15.6
215.07059	1.6
215.17964	20.8
217.08646	14.1
219.10167	6.2
229.08554	2.6
230.09410	1.4
231.10220	5.2
231.21126	1.1
233.11719	2.4
243.10211	5.1
245.11693	4.1
257.11700	6.4
257.18970	4.6
258.12509	1.3
259.13315	8.9
271.13187	1.4
273.14810	4.7
285.14929	1.7
299.16641	1.1
323.16574	1.5
323.20032	3.2
341.17648	3.6
341.21115	76.6
342.21420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.4
55.99776	1.7
57.03195	1.5
57.03441	16.6
57.07079	53.6
62.54731	1.5
67.05513	13.4
69.07075	14.0
70.25011	2.8
70.25416	3.1
71.08636	38.6
76.49480	1.4
81.07067	14.7
83.08623	9.1
85.10190	21.0
89.06029	2.6
95.08607	17.1
97.10166	7.5
98.20763	1.5
98.21292	2.7
103.07585	1.6
109.10171	10.0
109.45818	1.4
111.11667	2.1
113.32740	1.5
113.66178	1.5
123.11716	3.4
133.68556	1.7
218.50305	1.5
267.26889	2.9
285.27872	5.4
341.30530	100.0
341.39542	5.3
342.30835	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	341.3051
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
55.05517	9.2
57.03441	19.1
57.07081	58.5
67.05201	1.9
67.05508	15.2
69.07077	12.0
69.93322	1.4
71.04993	1.4
71.08637	46.7
71.58134	2.4
73.71845	1.4
79.05492	2.1
81.07066	21.4
83.08630	10.4
85.10192	19.4
89.06042	2.9
91.05438	1.5
93.07055	2.2
95.08608	24.1
97.10172	9.6
103.07581	2.4
107.08550	1.9
109.10174	12.2
111.11736	4.3
121.10133	1.7
123.11716	4.9
137.13269	2.6
146.70763	1.3
156.06641	1.7
159.07993	1.5
159.11620	1.7
176.14078	1.4
267.26978	3.6
285.27933	4.1
341.30533	100.0
341.39685	4.8
342.30966	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01863	6.7
55.05510	19.5
57.03426	3.6
57.07079	3.4
58.16025	1.7
63.02389	1.6
65.03945	9.1
67.05511	34.1
69.03083	1.5
69.03435	26.3
69.07065	16.6
69.34669	13.6
70.42957	1.7
71.01351	1.6
71.04994	10.0
73.02914	2.0
79.05048	2.3
79.05496	30.2
81.03420	38.6
81.07060	58.9
83.04991	19.4
83.08607	11.8
85.02898	10.2
85.06532	6.5
91.05475	29.6
93.03399	2.4
93.07049	29.5
95.01315	1.8
95.04973	13.0
95.08611	50.2
97.02901	12.4
97.06537	15.6
97.10166	4.1
98.21410	4.2
99.04447	6.1
99.08099	3.0
103.05451	2.8
105.07037	31.1
106.31081	2.1
107.04990	9.9
107.08590	20.1
109.02891	7.5
109.06541	12.6
109.10162	18.0
110.03647	5.6
111.04446	7.1
111.08064	6.7
113.05875	1.5
115.05450	5.4
117.07024	9.1
119.04929	1.7
119.08585	23.8
121.02852	6.8
121.06513	8.4
121.10149	12.3
122.03610	1.7
123.04456	3.3
123.08083	7.9
123.11704	8.2
125.02359	2.6
125.06021	11.8
125.09655	8.5
125.10416	2.1
126.01676	1.6
127.03915	12.0
128.06210	4.2
129.05472	2.0
129.07031	9.8
131.04921	4.4
131.08574	13.5
132.05731	1.7
133.02875	2.8
133.06459	4.9
133.10126	16.0
135.04402	3.0
135.08060	9.5
135.11710	9.8
137.05986	23.4
137.09601	5.7
137.13289	3.8
139.07521	1.8
139.11172	3.2
141.07014	1.8
143.08553	7.0
145.06458	5.7
145.10103	10.1
147.08051	5.2
147.11687	5.7
149.02341	7.1
149.05983	4.0
149.09642	3.8
149.13301	5.7
151.03914	3.5
151.07556	17.7
151.11197	3.2
153.05487	16.7
153.06660	2.7
155.08513	2.6
157.06482	2.9
157.10159	4.4
159.08064	9.6
159.11673	4.8
161.05983	5.8
161.09581	7.6
161.13266	11.3
163.03900	2.3
163.07535	3.2
163.11198	1.7
163.14876	3.0
165.05608	1.8
165.07037	5.0
167.07082	5.1
167.08575	4.3
169.10107	1.7
171.08003	3.9
171.11726	3.5
172.51201	1.6
173.09502	3.5
173.11783	2.8
173.13171	4.0
175.07553	6.3
175.14815	3.3
177.05487	3.6
177.09119	3.6
177.12744	4.7
178.07790	3.6
179.05846	1.8
179.08569	3.7
179.10674	4.1
179.14290	8.0
181.05003	17.8
181.06441	4.0
182.07289	2.0
183.11636	1.7
183.86566	1.5
184.08853	2.8
185.13280	3.3
187.07579	9.7
187.11208	2.1
189.07083	2.1
189.09111	3.3
189.12698	2.7
191.08556	3.7
191.14288	2.6
193.10135	2.8
194.07292	3.1
195.08005	8.0
196.08904	1.5
197.05923	1.6
199.07555	2.9
199.11215	2.0
199.14801	2.1
201.09117	1.8
201.12859	1.6
202.07742	2.6
203.08636	3.1
205.06456	4.4
206.07303	7.1
207.07993	4.1
207.13815	3.5
208.08920	2.2
209.06015	2.8
209.09677	3.1
209.15372	5.1
210.06703	2.3
210.10405	2.4
211.07558	5.3
215.18092	1.9
217.08511	1.9
217.12346	2.1
218.07187	2.6
219.08083	6.4
219.13902	3.6
220.08896	3.0
221.09619	10.5
223.07556	8.5
223.11115	3.4
223.16901	2.0
224.08311	2.4
225.09062	4.2
225.14882	4.7
227.06978	3.1
227.10556	2.7
231.08125	3.4
233.06010	2.2
233.15456	3.1
234.06752	6.9
235.07516	6.9
236.08163	2.5
237.09116	9.1
237.14813	8.9
238.09935	7.6
239.07031	4.1
239.10614	3.4
240.07660	3.1
241.08418	1.9
242.05890	2.1
248.08276	5.2
249.09097	11.8
249.18460	1.8
250.09787	2.7
251.07024	10.3
251.10489	2.9
251.16512	5.3
252.07753	3.2
253.08591	4.3
253.12212	9.0
254.09435	2.4
255.06456	2.9
255.10175	10.1
257.08151	6.5
259.16922	3.2
263.07065	3.4
263.16364	5.1
265.08618	6.6
266.09384	10.6
267.10193	10.0
267.15823	1.9
268.07367	4.3
269.07962	3.3
269.15488	1.9
270.08765	3.4
270.12442	3.1
271.09674	2.6
277.08585	9.0
277.18027	2.4
278.09354	2.5
279.06622	5.3
279.10046	2.7
280.10910	3.6
281.08072	6.0
281.11697	19.4
282.08698	2.4
283.09665	14.8
284.46835	1.9
285.14841	5.3
287.16562	8.0
291.10138	4.1
294.08844	6.6
295.09549	8.5
296.10394	3.3
297.11053	2.5
298.11862	7.8
300.09915	9.8
305.17514	19.2
305.24631	2.9
308.10498	2.2
309.07733	3.5
309.11224	37.4
310.11819	12.0
311.09100	3.9
311.12854	4.0
313.10709	7.4
313.14258	49.3
323.12714	4.2
323.18494	28.6
323.25650	2.2
325.11273	1.8
326.11441	8.8
341.10278	5.6
341.13812	100.0
341.20007	6.9
341.64951	1.6
342.14108	4.0
357.44571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44981	2.1
55.05510	3.7
57.03439	2.7
63.94581	2.7
67.05495	5.8
69.03418	6.0
69.07056	6.5
71.56331	3.3
72.45189	1.9
73.02902	2.6
79.05488	6.4
81.07066	13.9
84.08138	9.2
85.02919	2.9
85.06538	4.6
91.05454	10.8
93.07063	10.3
95.04943	2.2
95.08623	6.4
103.05480	3.0
103.84191	1.9
105.07025	8.2
107.04960	4.8
107.08603	17.4
109.02893	3.8
109.05759	1.8
109.06499	5.1
109.10167	12.2
111.08033	2.1
115.05500	2.3
117.07047	3.8
119.08591	7.4
121.10177	12.1
122.03632	2.7
122.07329	3.7
123.04417	2.3
123.11702	2.7
125.09645	2.4
129.06985	4.1
131.08575	5.2
132.30215	2.0
133.02863	6.7
133.10138	100.0
134.93718	2.0
135.08057	12.5
136.64468	2.1
137.05988	18.3
137.09631	46.8
139.11203	2.4
145.10124	3.9
147.11635	2.1
149.13271	11.3
151.07549	2.6
151.11162	2.3
161.05975	3.8
173.13174	4.3
175.07610	3.4
185.40215	2.0
187.07544	6.4
189.09055	2.7
191.14299	23.1
197.12885	15.9
209.15424	5.5
217.08600	4.9
221.09555	2.8
248.08118	2.9
249.09013	3.5
265.08609	3.7
277.08694	2.5
279.10037	2.7
291.10178	4.3
309.11032	3.8
311.12677	2.4
323.12692	5.7
323.23196	2.7
341.13672	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39941	2.2
53.03949	13.4
53.48931	2.4
54.69174	1.9
55.01872	12.9
55.05513	31.2
57.03432	7.1
57.07071	4.7
58.08013	1.9
59.72549	2.1
65.03929	4.4
67.05505	66.3
69.03078	3.4
69.03435	65.6
69.07074	25.3
71.01330	4.5
71.04996	20.2
71.57396	2.0
73.02921	2.4
74.26652	1.9
75.16628	2.1
79.05055	3.5
79.05494	61.0
81.03420	73.0
81.07060	100.0
83.04985	43.1
83.08617	14.9
85.02917	17.0
85.06548	13.4
86.95370	2.2
91.05481	53.9
93.03375	2.1
93.07046	57.5
95.01340	4.7
95.04982	21.7
95.08610	85.9
96.92467	2.0
97.02894	30.1
97.06533	28.8
97.10156	8.7
98.21146	2.1
99.04478	14.4
99.08105	5.2
103.03929	2.7
103.05428	4.2
105.04533	2.1
105.07029	53.7
107.04972	11.3
107.08599	29.4
109.02905	12.2
109.06504	25.8
109.10159	22.8
111.04441	8.5
111.08080	11.8
113.05994	2.4
113.09669	2.5
115.03924	4.4
115.05421	2.9
117.07016	20.3
119.04899	2.2
119.08585	42.0
121.06519	19.2
121.10143	21.2
122.03658	3.3
123.04417	8.6
123.08095	15.9
123.11684	6.5
125.05986	4.1
125.09648	5.7
127.03924	23.7
128.06221	5.9
129.07016	13.4
131.04944	5.0
131.08582	26.6
133.02856	3.4
133.06479	18.9
133.10132	23.6
135.04417	2.2
135.08052	15.4
135.11678	12.0
137.05991	34.7
137.09622	6.8
137.13255	5.2
139.07515	3.7
139.11108	2.5
141.06964	3.4
143.08556	8.2
145.06483	5.1
145.10118	12.2
147.04387	3.6
147.08020	10.4
147.11655	13.0
149.05971	6.1
149.09612	6.4
149.13261	5.8
151.07545	34.6
151.11179	4.2
153.05463	2.6
153.09129	2.3
155.08580	6.0
155.10718	2.6
157.06519	3.8
157.10149	8.3
159.08051	8.8
159.11717	10.8
161.05989	11.2
161.09651	10.1
161.13277	24.3
163.07571	6.7
163.11209	3.5
163.14801	4.5
165.05548	3.2
165.06900	2.3
167.07082	5.1
169.08641	4.3
169.09972	4.4
171.08092	2.8
171.11723	7.6
173.09616	3.7
173.11754	6.7
173.13330	6.6
175.07558	10.5
175.11188	3.9
175.14839	3.9
177.05429	3.5
177.09140	3.9
177.12721	8.0
179.07051	2.8
179.10646	2.2
179.14299	14.6
181.10052	4.0
183.08026	2.2
183.11717	2.8
185.09673	2.6
185.13217	4.9
187.07545	18.9
189.09093	6.3
189.12820	4.0
191.08575	3.6
191.14320	7.6
193.12303	2.2
195.08015	2.7
195.13771	3.1
199.11055	2.9
199.14812	2.7
201.12793	3.2
203.08644	6.1
207.13837	9.4
209.15402	12.6
217.08617	15.6
219.07948	3.8
219.13768	5.9
221.09694	5.0
221.15305	4.2
223.07613	2.7
223.16890	5.1
225.14825	10.8
227.14261	3.6
231.08052	5.0
231.13808	4.2
233.15408	4.6
235.07587	4.3
235.16867	2.9
237.09128	3.5
237.14841	17.8
238.09840	4.0
241.15932	3.3
245.15569	2.6
248.08313	4.6
249.09053	4.5
249.14819	4.1
250.06367	3.0
251.07008	5.0
251.10713	2.7
251.16576	12.9
259.16837	2.5
261.14801	2.5
263.10696	3.5
263.16409	13.7
265.08643	8.1
266.09433	3.7
269.15411	4.3
270.08646	2.4
275.16473	5.0
277.08667	3.8
277.17947	6.8
279.10208	4.2
280.07941	2.3
280.10721	9.8
281.11691	5.1
281.17545	3.8
282.08740	2.5
287.16498	19.4
291.10248	8.9
293.08130	3.6
293.17419	7.8
295.09613	5.4
296.10284	2.5
297.11115	7.9
305.17474	50.5
306.17957	2.2
308.10303	2.8
309.11176	12.4
311.09253	2.7
311.12662	5.0
323.12878	11.2
323.18530	61.3
326.11377	3.2
341.10272	3.7
341.13818	47.9
341.19534	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	340.1026
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
53.03941	0.6
55.03504	0.3
57.03426	0.5
59.46476	0.4
60.48563	0.4
61.02909	1.1
69.03433	2.7
70.72529	0.8
73.02951	0.3
74.18554	0.4
81.03436	0.8
85.02901	4.8
97.02899	1.9
98.21017	0.4
104.04999	0.6
109.02843	0.7
116.58192	0.3
127.03950	0.9
132.04453	4.7
145.04951	0.7
160.03938	0.4
178.04996	100.0
179.05312	1.6
250.69629	0.3
340.10327	0.8
354.28851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
62.83984	0.7
68.39218	0.5
69.58432	0.5
70.62244	2.1
76.29083	0.6
82.51862	0.7
103.29384	0.9
104.04978	2.0
122.05965	1.1
125.49264	0.6
132.04462	9.1
178.04999	100.0
179.03464	0.9
179.05289	2.1
260.45474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.4
69.03415	1.1
69.82475	0.8
69.82873	1.2
70.55206	0.3
71.76158	0.4
75.08054	0.4
81.03402	0.6
85.02900	2.4
90.79556	0.4
94.06615	0.4
97.02859	0.5
98.20837	0.8
98.21425	0.8
104.04970	1.3
109.02888	0.6
118.71239	0.4
122.06058	0.6
122.22108	0.4
132.04462	5.5
148.04742	0.8
178.05005	100.0
179.03392	2.3
179.05319	1.1
211.03102	0.5
239.16068	0.5
296.14963	0.4
340.17603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
53.30401	0.8
55.01868	2.3
55.05500	3.3
55.29381	0.8
57.03426	0.9
58.10775	0.8
64.31484	0.8
65.03931	1.6
67.05508	10.4
68.99785	1.5
69.03432	1.5
70.75949	1.4
77.36314	0.7
79.05495	9.5
81.07055	8.6
91.05484	18.0
93.07042	5.9
95.04955	3.2
95.08608	3.1
97.06531	0.8
98.21131	0.9
103.05475	1.3
105.07034	19.6
107.04893	1.1
107.08600	2.3
107.48695	0.8
109.06558	1.0
109.10158	0.9
111.04467	0.9
115.05443	4.4
116.06222	1.1
117.07023	36.3
119.08573	7.3
121.06476	1.8
121.10135	1.3
123.04430	3.0
123.08030	0.9
127.13337	0.8
128.06204	1.8
129.07025	9.0
130.07790	4.9
131.04872	0.9
131.08574	38.6
133.06509	1.6
133.10123	3.7
135.08017	1.5
137.05965	2.5
139.03912	1.8
141.05484	3.9
141.06973	4.2
142.07751	3.6
143.08575	2.6
144.09311	3.9
145.06505	0.7
145.10123	4.6
147.08035	1.4
147.11678	1.3
151.07556	2.9
153.01817	0.9
153.05461	16.6
155.08580	4.4
157.10149	7.6
159.11699	100.0
160.12030	1.3
161.05901	0.9
161.09560	1.3
161.13261	0.9
165.05496	1.5
167.03415	43.3
167.07016	5.9
168.09480	1.2
169.04955	1.3
171.11720	1.4
173.09692	1.3
173.13280	6.8
177.05486	2.1
179.07018	4.8
183.11696	9.6
191.07031	1.2
195.06548	14.8
201.12746	19.6
205.08820	0.9
207.06450	1.2
209.08026	5.2
217.08630	1.6
231.06563	1.2
263.10938	0.9
299.20120	0.9
323.16357	6.1
341.17450	11.1
341.21164	2.9
341.24579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01859	10.1
55.05492	3.1
56.96555	11.2
57.03436	13.4
57.79779	2.4
60.04535	3.1
61.02937	14.6
67.89370	2.6
69.03080	3.0
69.03440	50.2
71.04986	8.1
71.56886	4.5
73.02909	14.8
80.66302	2.7
81.03414	13.5
83.05013	3.1
84.04482	3.1
85.02424	5.3
85.02910	92.8
86.03227	3.9
87.04477	6.6
88.04079	2.5
89.65211	2.4
90.25838	3.1
91.03965	5.2
97.02285	4.2
97.02894	46.4
98.21245	2.6
98.97593	20.8
99.04427	7.2
99.30873	3.0
104.30427	3.2
106.02800	2.5
109.02876	9.4
110.97576	2.6
112.99146	16.3
114.09157	5.1
115.03976	5.9
116.98640	11.2
119.01862	15.0
120.02004	3.8
121.01675	3.7
127.03960	24.2
128.02258	3.6
128.98601	3.4
131.00172	21.2
131.01758	2.8
132.06548	3.0
132.10214	3.1
133.03378	6.0
134.99669	2.9
140.02319	8.3
142.08650	2.5
143.01875	8.2
145.01717	9.5
145.03432	5.4
145.04967	17.0
149.01202	8.0
150.01843	3.4
153.01833	28.3
153.02875	4.2
155.01964	4.8
157.03490	5.3
158.99649	7.6
160.03790	4.3
160.06050	4.7
160.09677	3.6
161.02963	8.2
163.02695	5.0
168.56451	3.5
169.04237	43.6
173.01201	8.2
173.02888	6.7
175.02849	6.4
175.04468	6.5
177.00710	5.8
178.04869	100.0
178.07036	14.2
178.10732	18.5
178.54988	4.4
184.06082	4.7
187.02831	3.2
189.55681	8.1
191.02290	3.0
193.03865	11.2
193.05429	3.6
203.03809	3.4
205.03741	3.9
206.10109	3.5
211.04825	4.9
219.01677	9.1
221.04976	4.2
235.04659	5.2
235.06688	9.4
237.02824	6.9
241.06679	4.7
244.05165	3.0
245.05074	5.7
247.06741	7.2
250.07085	71.3
250.57301	10.2
259.07578	57.8
259.57727	9.3
337.10016	25.5
340.15521	6.6
355.09152	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	339.1955
Annotation	5,7-Dimethoxy-8-prenylflavan
Peak:m/z	Relative Intensity
55.05514	11.2
57.03444	4.6
57.07079	9.7
65.03925	1.8
67.05510	11.5
67.93027	0.9
69.06721	1.0
69.07071	14.2
71.08617	2.7
71.56947	0.8
79.05055	1.1
79.05492	13.8
81.07057	15.2
83.01363	3.9
83.05024	0.8
83.08617	8.8
85.06533	3.9
91.05486	11.9
93.07046	14.1
93.48059	0.8
95.04939	1.4
95.08038	1.2
95.08604	13.0
97.06537	0.9
97.10185	4.6
98.21046	1.0
105.07030	11.4
107.04925	0.9
107.08602	10.2
109.06508	7.7
109.10152	6.2
111.08049	1.7
111.11701	1.2
115.05421	2.0
117.07037	4.5
119.08590	8.5
121.06496	2.4
121.10181	4.6
123.11680	2.1
125.06005	1.2
125.09650	1.0
128.06216	4.4
129.07019	11.8
131.08571	8.5
133.06519	1.5
133.10121	2.5
135.08107	0.8
135.11719	6.4
137.06007	7.7
139.07532	1.2
141.07045	1.4
142.07793	1.7
143.08571	21.3
145.10168	5.9
147.11693	8.5
149.13310	0.9
151.07547	2.6
153.05449	3.1
155.07030	6.2
155.08351	1.7
156.09366	1.2
157.10121	7.7
158.10942	1.3
159.11713	15.4
161.06056	1.2
161.13277	1.9
165.09093	1.3
167.07050	50.3
169.10112	1.0
171.11702	6.5
173.13304	2.2
177.05573	1.4
181.08563	1.7
185.13275	46.4
186.14072	6.8
187.14737	1.2
191.07042	13.2
193.08621	5.8
195.10179	2.7
204.07742	1.1
205.08604	2.8
215.07031	0.9
217.08667	2.5
219.10062	4.5
225.09048	1.1
227.07060	0.9
229.08649	2.4
230.09396	1.2
231.10182	7.8
237.12868	1.1
241.08583	2.9
242.09396	1.4
243.10234	5.7
244.11050	2.7
245.11743	9.5
251.10747	0.9
255.10226	1.8
257.11713	5.4
265.12259	1.8
265.25482	0.8
267.10120	2.6
268.10971	1.4
269.11771	2.7
271.13403	1.9
281.11697	1.0
282.12375	1.0
283.13330	3.9
284.14038	1.5
297.14960	2.3
311.16425	2.5
321.27908	6.2
339.19568	100.0
339.28845	27.1
340.19907	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	339.2896
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
53.03941	1.2
55.01883	0.9
55.05510	17.1
57.03438	2.4
57.07077	93.5
57.44848	0.9
67.05505	15.9
69.03436	1.1
69.06718	1.5
69.07071	21.3
69.70995	1.7
69.71382	5.6
71.04984	4.1
71.08632	2.0
73.06580	0.9
79.01642	0.8
79.05490	8.5
81.07060	40.6
83.04971	1.9
83.08611	16.3
85.06545	58.2
85.10206	1.1
86.21501	1.0
91.05472	5.7
93.07052	18.2
95.04993	1.4
95.08614	40.9
97.06531	3.3
97.10171	8.4
98.21229	3.3
99.08115	1.6
105.07047	9.0
107.08597	19.4
109.06501	7.0
109.10160	21.2
111.08089	7.5
111.11700	2.9
117.07024	1.9
119.08567	5.5
121.10146	13.8
123.08083	12.6
123.11713	18.8
125.09592	1.4
125.13271	1.1
127.07542	4.2
127.11211	2.7
128.06268	1.4
129.06995	2.1
131.08594	2.7
133.10138	5.6
135.11681	9.8
137.09608	9.1
137.13263	12.5
139.11180	1.1
141.12726	3.9
143.08543	3.5
145.10149	2.3
147.11670	11.6
149.13254	8.4
151.11153	5.8
151.14798	2.9
155.14317	2.2
157.10144	1.7
158.10919	1.1
159.11685	5.7
161.13280	3.9
163.14822	7.1
165.12743	4.7
165.16473	1.6
167.07065	8.5
171.11699	2.2
173.13281	2.5
175.14915	1.9
177.12766	1.6
177.16434	1.2
179.14214	1.8
179.17889	1.6
185.11790	1.0
185.13188	5.9
186.14128	1.9
187.13313	1.1
191.07019	1.1
191.18146	1.0
193.19524	3.1
203.17960	15.4
205.19490	2.6
211.20642	1.1
217.19534	1.3
219.21104	3.4
221.19020	2.5
229.12057	1.0
229.19601	3.0
231.10136	1.5
237.22168	3.0
243.10222	1.4
265.21841	2.4
265.24988	1.2
271.13275	1.1
275.27454	6.7
285.25754	4.0
293.28400	7.8
303.26889	9.9
321.27887	100.0
322.28210	1.6
339.19666	14.9
339.28961	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	339.1955
Annotation	5,7-Dimethoxy-8-prenylflavan
Peak:m/z	Relative Intensity
53.03957	0.9
55.01875	0.9
55.05501	2.8
55.94715	0.7
56.84996	0.8
57.07074	1.1
62.11378	0.8
67.05508	9.2
67.57088	0.9
68.99780	2.6
69.07056	2.5
69.70032	5.5
79.05492	10.6
81.07058	7.0
83.01375	0.9
91.05489	13.4
91.88485	0.8
93.07052	14.4
95.04960	2.1
95.08611	6.8
98.20956	1.8
98.21507	0.9
103.05452	1.0
105.07027	11.1
107.04951	2.2
107.08594	8.5
109.10137	2.2
111.00802	4.1
111.03103	0.8
111.04423	1.2
115.05446	2.2
117.07018	6.4
119.08589	6.8
121.06512	1.9
121.10160	3.0
123.04421	2.5
124.05266	1.0
125.05923	0.9
127.03918	1.4
128.06206	4.3
129.07007	9.8
130.07739	1.3
131.08565	10.0
133.10103	5.5
135.08073	1.9
135.11700	6.6
137.05980	1.9
139.03905	40.2
139.07527	2.4
141.06998	1.2
142.07713	1.5
143.08560	13.9
144.09315	2.2
145.10124	8.5
147.08081	1.5
147.11700	8.6
149.05966	1.2
149.13251	2.0
151.03972	1.0
151.07524	1.2
153.05505	5.4
155.08533	1.6
156.09297	1.0
157.10139	8.8
158.10837	1.3
159.11729	8.3
161.13258	1.6
163.03906	7.0
165.05489	4.3
167.07051	25.5
169.10141	1.6
171.08308	1.1
171.11703	9.4
173.13258	2.6
175.07521	2.4
175.14828	2.0
177.05461	2.2
177.09085	1.5
179.07106	1.8
181.08636	1.4
185.13264	29.3
186.14018	2.9
187.14844	5.5
189.05472	2.0
189.16460	1.0
191.07024	17.7
193.08575	2.6
199.11140	1.2
201.09154	1.1
201.16386	2.6
203.07034	9.3
205.08565	8.1
213.05258	1.1
213.16383	14.7
214.16814	1.0
215.06976	1.4
217.08562	9.2
219.10127	8.5
227.10686	1.0
229.08597	1.9
231.10156	7.0
233.11870	1.6
241.08597	2.7
242.09381	0.9
243.10176	6.3
244.10843	1.1
245.11746	7.7
255.10201	2.8
255.17500	1.2
257.11719	4.9
269.11716	1.4
271.13321	2.4
283.13354	4.7
297.14880	2.9
311.16370	2.9
321.18628	1.8
328.18771	1.1
339.19550	100.0
340.19858	2.7
342.50095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1957
Annotation	5,7-Dimethoxy-8-prenylflavan
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	0.8
55.05513	12.1
57.03424	2.5
57.06869	0.7
57.07076	8.8
65.03926	1.4
67.05507	13.1
68.99840	0.8
69.03419	1.2
69.07070	14.6
71.08624	1.5
71.57368	0.9
71.57766	1.0
79.05498	14.1
81.07058	14.8
83.01334	3.1
83.08620	6.8
85.06540	3.0
85.10171	0.9
91.05481	14.5
91.64787	0.9
93.07050	13.5
95.04974	2.2
95.08605	11.9
97.06519	1.6
97.10170	4.6
99.08020	1.0
103.05448	0.8
105.07040	12.7
107.08592	12.4
109.06522	7.1
109.10149	5.5
111.08105	1.8
111.11720	1.1
113.05987	0.8
115.05425	2.0
117.07020	7.9
119.08575	7.7
121.06496	2.6
121.10137	6.1
123.04412	0.9
123.08080	1.1
123.11673	2.4
125.06140	1.0
128.06207	5.9
129.07024	12.3
131.08572	9.1
133.06464	1.1
133.10146	2.3
135.11697	5.7
137.05981	8.5
137.13249	1.7
141.06969	1.8
142.07777	2.3
143.08563	22.0
144.09358	2.0
145.06424	1.5
145.10144	5.8
147.11673	8.2
149.13261	2.6
151.07523	3.4
153.05460	3.7
153.06621	0.8
154.06175	0.9
155.07047	6.2
155.08492	1.6
157.08897	1.1
157.10110	8.5
158.10883	1.3
159.11707	18.9
161.05925	1.3
161.13274	2.4
165.05493	1.1
165.09151	1.3
167.07051	56.0
169.10146	1.1
170.10873	1.5
171.11707	8.4
173.13298	2.6
173.44730	0.9
175.07448	1.0
176.04639	1.7
177.05466	1.7
177.09096	1.1
178.07899	0.8
181.08568	3.0
185.13268	51.1
186.14063	8.6
187.14705	0.9
191.07030	17.4
193.08582	5.5
195.10162	1.5
196.32468	0.8
203.17952	0.9
205.08621	3.9
211.07585	1.2
213.09088	1.0
215.06990	1.7
216.07742	1.0
217.08598	2.1
219.10168	7.6
223.11067	0.8
227.07018	1.2
229.08658	2.4
230.09404	1.2
231.10159	9.2
233.11768	1.4
237.09006	0.8
237.12735	1.4
241.08629	3.4
242.09358	1.0
243.10121	6.1
244.10909	3.8
245.11760	7.5
250.10120	1.4
251.10606	1.3
254.09488	1.4
255.10133	1.7
257.11768	4.9
258.12704	1.1
265.12271	1.5
265.25278	1.7
267.10144	1.3
268.10846	1.1
269.11838	2.0
271.13260	1.4
281.11908	2.1
282.12601	2.0
283.13281	3.8
284.14218	1.3
295.13318	0.8
296.14178	0.9
297.14951	2.9
309.14935	1.3
310.15729	1.1
311.16357	2.7
321.27899	5.7
323.16867	0.8
339.19562	100.0
340.19907	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	339.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71493	1.7
52.43677	1.6
53.03963	2.3
55.01878	1.6
55.05514	11.6
55.79395	1.6
57.03425	3.0
59.05012	2.1
61.02924	4.3
62.06802	1.7
69.03441	16.4
70.95937	4.0
73.06557	100.0
81.03422	7.3
83.04977	12.3
85.02908	33.1
87.04472	2.1
89.03941	2.3
91.05502	7.9
91.07650	2.4
95.04993	2.4
97.02893	20.3
99.04431	2.4
101.06030	19.0
107.35641	1.7
109.02890	6.9
117.03387	5.0
119.04958	13.2
119.07083	10.7
127.03925	13.6
133.06490	4.2
145.02853	20.0
145.04970	8.4
147.04416	62.2
149.05954	4.2
163.04005	2.9
163.06084	2.1
176.02322	1.8
177.05476	45.1
178.05939	2.5
179.05942	2.6
279.78732	1.8
339.01306	3.4
339.18719	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1803
Annotation	Ankalactone
Peak:m/z	Relative Intensity
50.89056	0.8
53.03955	1.3
55.01875	2.9
55.05259	1.5
55.05514	22.1
55.18372	0.8
61.02937	1.4
62.08315	0.7
67.05513	4.8
69.03426	2.6
69.07079	4.4
70.92105	0.7
71.01610	1.4
73.12185	0.8
79.05497	7.3
81.07062	7.7
83.01346	1.2
83.04977	1.6
83.08619	13.1
87.36723	0.8
91.05467	2.0
93.07079	1.0
95.08607	1.1
97.02914	2.1
97.06536	1.5
97.10174	34.9
105.07011	0.9
107.04955	1.9
107.08600	7.7
109.06516	3.5
117.07024	0.8
119.08512	0.8
125.05991	2.2
125.09635	53.9
126.09909	0.8
137.04977	1.5
137.05984	18.2
143.10680	86.2
153.05478	1.3
155.07039	100.0
156.07382	1.4
158.04953	0.9
167.07079	5.3
175.07558	0.9
177.05331	0.8
179.74182	0.9
181.04965	92.5
183.06635	0.9
191.07024	2.3
197.08101	1.2
203.12798	5.0
205.08749	1.0
279.15991	4.7
339.19177	1.2
339.23062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1803
Annotation	Trimethylolpropane trimethacrylate
Peak:m/z	Relative Intensity
55.01856	4.1
55.05517	23.5
57.07078	15.3
67.05505	11.4
68.99758	1.3
69.03415	2.5
69.07065	11.4
70.06582	5.1
71.08622	5.0
71.57839	1.8
79.05499	13.8
81.03425	2.3
81.07063	18.1
83.01339	2.7
83.04983	1.9
83.08620	13.5
83.64339	1.2
83.94891	1.3
87.29675	1.2
88.07630	6.5
91.05487	8.9
93.07040	8.5
94.72098	1.3
95.04945	2.3
95.08622	6.3
97.06518	1.6
97.10172	34.9
97.58952	1.2
98.21106	1.6
102.09180	3.5
105.07014	6.0
107.08604	9.5
109.06497	4.0
109.10137	5.0
110.03702	1.4
111.04431	1.4
117.06998	2.6
119.08550	5.1
121.06540	1.4
121.10133	4.8
123.04418	8.5
125.06022	1.6
125.09635	52.4
129.07005	3.0
131.08569	3.1
133.10115	3.8
134.48799	1.2
137.05998	8.3
137.09544	1.3
138.03130	2.5
139.03911	4.4
139.11200	10.0
140.04709	1.7
141.05476	21.8
143.08527	4.0
143.10675	87.4
145.10143	2.1
147.11737	1.8
149.02354	14.2
149.05899	1.5
151.03935	1.4
151.07559	2.4
153.05463	5.4
155.07033	87.9
157.10103	3.6
157.12244	13.9
163.14745	1.3
166.02617	3.6
167.03413	20.9
167.07060	18.0
169.10120	1.2
171.11740	2.2
173.97585	1.2
175.07642	1.6
177.05508	2.8
179.07080	3.0
181.04965	100.0
183.11597	1.6
184.03650	5.6
185.13252	1.5
191.07016	7.7
191.08568	1.2
193.04976	31.1
193.08638	2.4
194.05263	2.2
197.08131	2.1
197.13124	1.5
203.06960	1.5
203.12772	4.1
217.08650	1.7
221.01112	1.4
223.14883	1.4
224.65663	13.7
225.15746	2.9
229.12216	2.5
247.13458	1.8
256.26309	9.6
261.14941	2.0
262.10681	2.0
279.15903	6.6
280.11676	1.7
320.07452	1.4
321.27832	2.7
330.26877	1.5
339.19766	10.6
339.23242	6.5
339.27631	63.9
339.77856	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	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
52.58543	0.5
53.03947	2.4
55.01875	1.2
55.05506	1.9
57.03433	1.5
57.07075	1.1
65.03959	0.5
67.05518	2.7
67.61577	0.5
69.03433	8.6
69.06736	0.5
69.07064	3.3
69.92914	1.3
71.05003	2.1
73.02919	1.0
76.59142	0.4
79.05493	3.3
81.03423	22.7
81.07062	6.5
83.04992	1.2
83.08612	0.9
85.02911	7.2
85.06531	0.6
86.52126	0.5
89.03915	7.9
91.05459	3.0
93.07047	5.2
95.04967	1.6
95.08604	4.3
97.02885	1.8
97.06525	0.8
97.10165	0.7
98.20832	1.0
98.21439	1.0
99.04458	2.3
100.11262	0.7
105.07030	2.6
106.04199	0.7
107.04955	0.5
107.08601	3.2
109.02892	7.3
109.06520	1.1
109.10149	3.3
111.08098	1.0
111.11770	0.5
117.03384	26.3
117.07005	0.9
119.04972	0.5
119.08604	2.4
121.06525	1.1
121.10158	2.9
123.08102	0.5
123.11719	2.5
125.09648	0.5
127.03942	2.8
129.07047	0.7
131.04936	0.8
131.08539	0.9
133.06541	0.7
133.10146	1.6
134.03659	2.0
135.04393	1.3
135.11687	1.8
137.06010	1.8
137.09605	0.6
137.13251	0.5
139.11172	0.9
143.08563	0.6
145.02850	61.2
145.10118	1.6
146.03212	1.2
147.11702	1.9
149.05989	9.5
149.09633	0.9
149.13243	0.6
157.10146	0.8
159.11732	1.0
161.09592	0.8
161.13234	0.6
162.06720	0.5
163.03886	1.3
165.07007	0.5
165.09093	0.5
165.12852	0.6
167.10635	0.5
177.05476	100.0
178.04802	3.8
178.07602	0.5
186.05504	1.3
187.14810	0.8
189.07103	0.7
190.07765	0.7
191.08557	0.6
195.06572	3.3
207.08165	0.8
210.15001	0.5
218.07262	1.0
219.08076	2.6
220.08525	0.5
221.05948	0.9
234.06763	0.6
235.07552	1.1
236.08325	0.8
237.09114	0.6
242.19044	0.4
246.06680	0.8
247.07480	2.6
248.08505	0.6
249.09096	1.3
251.10605	0.6
261.09250	1.1
263.06888	0.7
264.07797	1.9
265.08612	0.7
275.06973	0.5
277.08459	0.9
278.09329	0.9
279.10580	2.0
280.07291	0.8
281.08093	0.6
293.08060	0.8
293.11490	0.6
303.23132	1.0
306.08875	0.5
307.09644	5.3
309.07526	0.8
309.10962	0.5
311.12613	1.1
321.09683	21.1
321.24310	0.6
322.10318	0.5
324.09769	1.3
339.12390	9.9
339.25543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1449
Annotation	Mimopudine
Peak:m/z	Relative Intensity
53.03925	0.9
54.49052	0.5
55.01862	2.6
55.05510	0.9
56.05021	1.4
56.96543	1.1
57.03436	5.3
60.04511	1.7
61.02925	2.7
61.95720	0.5
66.82832	0.6
67.05514	0.7
68.05023	1.4
69.03435	9.7
70.06586	1.2
70.14204	0.6
71.01343	1.6
71.04980	1.3
71.54894	0.9
72.04510	1.2
73.02923	3.9
73.06539	0.8
74.06072	0.8
80.05001	1.5
81.03415	3.3
82.06555	1.6
83.04980	0.6
84.04494	2.0
85.02908	15.5
86.06074	0.6
87.04456	1.5
91.03935	1.0
93.58845	0.5
97.02895	6.3
98.06077	1.2
98.97578	2.0
99.04450	1.3
99.23756	0.5
101.00880	1.4
102.05540	3.1
103.03987	0.7
106.06561	1.2
107.78178	0.5
109.02885	1.2
110.06017	2.8
110.97562	0.5
112.99164	0.5
113.00863	0.8
114.05511	0.6
115.03954	1.6
116.07093	0.6
116.98597	0.8
119.01891	2.4
120.02000	1.3
122.06038	1.3
124.07607	0.9
127.03903	5.2
128.07077	12.9
128.98666	0.7
131.01884	2.4
132.02011	1.7
132.06593	3.4
133.01671	0.8
133.04965	0.7
134.06003	1.1
140.07057	1.6
142.08615	0.8
143.01915	3.3
145.03450	2.0
145.04924	3.1
146.03600	3.1
152.07088	3.1
153.01869	3.6
155.01903	2.0
156.02032	0.9
157.03517	1.9
158.03552	1.6
158.08145	1.8
158.99634	0.8
160.09715	0.8
161.02946	1.9
167.05502	1.9
170.08131	3.6
173.01479	0.7
173.02884	2.9
174.03120	1.8
174.04527	0.7
176.09203	2.9
183.05043	1.1
183.54973	0.7
185.02905	1.6
186.03244	0.7
188.09213	8.1
190.02675	0.6
191.03868	0.7
201.00671	0.6
201.05963	0.7
203.03970	1.6
206.10252	62.7
217.01897	1.4
218.02127	4.9
219.01758	1.6
221.05205	0.8
230.02124	1.6
231.03528	1.1
235.06297	0.6
236.03140	1.6
237.02754	0.8
240.06549	0.8
245.05093	3.6
248.03214	0.9
248.06409	0.9
256.50888	0.6
257.05856	1.2
270.12708	0.6
272.06598	0.7
291.05716	0.8
305.07245	0.7
320.13416	0.6
333.06708	0.8
333.10321	0.7
338.14456	100.0
339.14905	1.8
351.07700	1.7
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
51.62101	0.3
53.03952	0.8
55.01865	0.4
55.05516	0.4
57.03430	0.6
60.60089	0.3
61.02937	0.4
63.02362	0.7
67.05503	0.8
69.03433	11.5
69.07068	0.9
69.24305	0.5
69.74018	1.8
69.74428	0.5
71.04986	0.5
71.23851	0.4
71.89672	0.3
77.49242	0.3
79.05486	1.0
79.36612	0.4
81.03424	6.0
81.07048	2.4
83.04954	0.3
83.08631	0.3
85.02925	2.3
88.24571	0.3
89.03918	6.3
90.38023	0.3
91.05466	1.5
92.74001	0.4
93.07037	2.8
93.33321	0.4
95.04977	0.8
95.08607	1.9
97.02898	1.8
97.06535	0.6
99.04449	1.1
105.07066	0.7
106.04160	0.3
107.08591	1.1
109.02872	3.1
109.06557	0.4
109.10151	1.5
110.70097	0.4
111.08077	0.4
117.03387	20.8
119.08545	1.2
121.06570	0.4
121.10165	1.7
123.11694	1.1
127.03925	4.8
130.35542	0.3
133.10100	0.5
134.03647	1.4
135.04417	1.4
135.11674	0.7
137.05981	0.8
145.02850	51.5
145.10115	0.5
146.03154	0.6
147.04372	0.4
147.11674	0.4
149.05994	8.0
149.09598	0.5
151.11148	0.6
154.12407	0.3
159.11659	0.4
162.03133	0.3
163.03867	0.8
175.11163	0.4
177.05478	100.0
178.05963	2.0
186.05530	1.4
195.06505	1.0
215.07167	0.5
231.06296	0.3
234.06636	0.4
247.07623	0.5
274.49332	0.3
279.10199	0.4
307.09683	0.7
321.09698	7.4
339.11142	1.8
339.25500	0.4
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
53.03933	0.4
54.29652	0.3
55.01851	0.3
55.05280	0.3
55.05507	2.6
57.03425	0.6
57.07083	2.3
65.03928	0.3
66.04701	0.4
66.81095	0.3
67.05162	0.4
67.05507	5.3
69.03420	0.5
69.07079	2.7
71.04994	1.0
71.08616	0.6
79.05495	1.5
81.07062	4.3
83.00970	0.3
83.01357	2.8
83.04984	0.3
83.08620	1.1
85.02896	0.4
85.06540	0.3
85.10152	0.3
86.27303	0.3
91.05495	1.3
93.07034	1.5
95.04975	2.2
95.08609	2.7
97.06520	0.6
97.10152	0.7
98.20702	0.6
99.04450	0.6
100.00417	0.2
101.02381	0.9
105.07036	0.8
107.08604	0.4
109.06519	0.5
109.10157	1.1
111.04422	0.6
111.08062	0.5
112.05234	0.3
113.76471	0.3
119.08573	0.4
121.10119	0.6
123.04427	0.3
123.08038	0.3
123.11683	0.4
125.02361	0.7
125.05949	0.3
125.09612	0.3
127.03931	0.7
135.11710	0.5
137.06021	0.3
140.04684	4.1
141.05460	0.7
153.05467	1.3
181.68102	0.3
197.11713	0.5
211.13239	0.8
225.14819	0.9
229.58873	0.4
239.16498	0.5
253.18002	0.8
267.19525	0.6
281.21118	0.5
335.18332	0.3
337.27374	100.0
338.27692	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	337.2737
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol
Peak:m/z	Relative Intensity
53.03941	4.4
54.50460	1.6
55.05513	36.3
57.03433	7.1
57.07076	54.8
59.05021	2.2
63.48088	1.8
65.03958	2.7
67.05505	52.4
69.03439	2.7
69.07069	43.6
69.75480	11.0
71.05008	10.9
71.08652	10.0
79.05497	22.8
81.07059	100.0
83.04984	80.9
83.05367	1.9
83.08621	28.7
85.06542	42.2
85.10165	2.6
87.69193	1.9
91.05479	13.7
93.07049	34.5
95.04987	4.1
95.08608	82.7
97.06543	13.4
97.10181	14.8
98.20791	2.1
98.21352	4.2
99.08081	2.8
105.07036	22.3
107.08589	36.4
107.09282	2.6
109.06538	13.1
109.10155	44.4
111.08073	12.0
111.11722	8.0
113.09654	2.3
118.56806	1.6
119.08591	19.0
121.10147	24.4
123.08096	20.5
123.11696	24.8
125.09663	8.2
125.13291	3.1
127.07553	8.3
127.11232	2.6
129.06960	1.9
129.09122	2.7
131.08594	3.5
133.10132	17.6
135.08047	3.1
135.11685	20.7
137.09641	12.7
137.13245	12.8
139.03917	6.3
139.11270	4.0
141.05469	3.9
141.06943	2.0
141.09094	2.5
141.12610	1.9
145.10136	7.4
147.11703	16.4
147.81380	1.8
149.09647	2.5
149.13307	15.2
151.11221	13.9
151.14809	3.3
153.12747	7.0
155.08554	2.1
155.14288	3.5
157.10132	3.2
159.11719	6.3
161.13266	16.0
162.57399	1.7
163.11247	2.3
163.14862	6.8
165.12759	10.3
167.03415	41.7
169.08536	2.0
169.10101	2.9
170.75381	1.9
171.11765	4.0
173.13350	2.0
175.14880	4.3
177.16412	5.9
179.14311	7.0
183.11815	3.0
185.13266	4.2
187.14859	2.2
193.15892	3.4
197.15335	3.5
199.14795	2.6
201.16447	3.5
203.17999	6.0
211.14825	3.5
213.97044	1.8
215.18044	3.4
217.19550	18.0
221.18999	2.9
227.17897	6.8
231.20998	2.4
235.20557	32.0
245.19034	8.4
245.22794	2.1
249.21902	1.9
253.08708	5.1
253.21640	2.0
263.20081	66.7
267.10303	2.4
273.25787	4.8
278.91110	2.0
283.24109	2.8
291.26764	9.3
299.22214	10.9
301.25275	7.6
319.26273	40.8
337.17993	21.0
337.23700	17.4
337.27380	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1444
Annotation	Mimopudine
Peak:m/z	Relative Intensity
55.01863	1.2
56.05025	1.0
57.03436	3.4
59.04971	0.5
60.04510	1.1
61.02915	1.1
68.05019	1.2
69.03422	2.1
70.06568	0.4
71.01353	1.7
71.56129	0.4
72.04504	1.3
73.02598	0.3
73.02922	2.9
74.06069	0.6
79.05449	0.3
80.05009	2.5
82.06577	1.5
84.04495	0.8
85.02905	2.8
86.06097	0.5
87.04455	1.0
88.12892	0.3
96.04504	0.5
96.08126	0.8
97.02898	1.4
98.06039	1.0
102.05547	2.9
106.06530	0.8
110.06049	2.6
114.05539	0.6
115.03898	1.0
116.07063	0.6
122.06015	2.0
124.07575	1.1
127.69041	0.3
128.07083	13.5
132.06566	3.7
133.04953	0.7
134.06007	1.1
140.07051	0.7
142.08638	0.6
145.03476	0.5
146.03673	0.5
152.07097	2.0
158.03719	0.4
158.08134	0.7
160.09665	0.8
170.08121	3.8
188.09183	9.5
206.10246	64.8
218.02161	0.6
271.14786	0.4
285.94781	0.4
338.14456	100.0
339.14670	1.7
342.30728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01874	1.3
55.05254	1.7
55.05511	20.9
55.56768	1.1
57.03437	1.6
57.07079	58.7
59.04989	2.2
65.03934	1.4
65.10010	0.9
67.05508	28.8
69.03423	4.5
69.06725	1.9
69.07076	32.2
70.13028	2.3
70.13419	1.9
71.05000	14.4
71.08625	3.2
73.06572	1.0
79.05496	19.9
81.03420	3.1
81.07061	100.0
83.04984	8.0
83.08620	17.7
85.06545	51.6
85.07072	1.7
91.05486	11.8
93.07042	33.0
95.04979	4.9
95.08613	79.0
96.08960	1.1
97.06530	7.6
97.10167	6.9
98.21017	2.0
99.04462	1.6
99.08097	7.8
101.06056	1.3
105.07034	29.3
107.04968	1.2
107.08596	41.1
109.02898	2.3
109.06532	17.4
109.10160	49.4
111.08086	4.7
111.11720	4.5
113.09692	1.4
117.07004	3.8
119.08586	24.8
120.29082	1.0
121.06501	4.1
121.10148	29.5
123.08089	11.6
123.11713	43.3
125.09655	4.7
125.13265	1.7
127.07577	11.4
127.11215	5.1
128.78772	1.0
129.06992	1.5
131.08595	6.6
133.10130	18.2
135.08063	3.4
135.11705	28.5
137.09641	6.5
137.13257	22.8
139.07518	1.0
139.11176	3.4
141.09123	1.5
141.12758	4.4
142.07796	1.3
143.08566	4.0
145.06432	1.4
145.10127	14.7
147.11693	16.7
149.09641	7.2
149.13272	20.0
151.07530	1.5
151.11194	11.6
151.14854	3.8
153.09131	1.4
153.12759	9.4
155.14301	3.8
157.10159	4.2
159.11693	19.4
161.09634	1.2
161.13277	19.0
163.11211	4.3
163.14859	5.0
165.12784	8.9
165.16457	1.5
167.10713	3.2
167.14352	1.7
169.10130	1.3
169.12300	2.2
171.11667	4.6
173.13271	6.6
175.11301	1.4
175.14803	5.9
177.12761	4.2
177.16359	5.2
179.14333	6.0
181.12234	5.0
183.13649	1.3
185.13312	2.4
187.14796	3.5
189.12775	1.8
189.16399	2.6
191.14331	1.9
191.17993	5.5
193.12259	3.7
193.15831	2.1
195.13774	4.2
197.15479	1.5
199.14845	7.1
201.16350	11.2
203.17950	4.1
205.15979	1.4
205.19508	6.8
207.17395	1.3
211.20625	3.1
213.16437	3.2
215.17967	13.6
217.15950	2.0
217.19525	6.2
219.17455	4.6
221.18916	2.8
223.20619	3.4
227.17973	4.0
229.14349	1.4
231.20822	1.3
233.19130	1.4
235.13142	1.6
235.20604	8.8
237.18539	5.6
249.18654	1.1
249.22160	2.5
251.20078	2.8
263.20074	3.7
273.25806	3.4
277.25327	1.6
283.24170	8.7
291.26801	8.0
301.21820	1.6
301.25256	24.8
319.26324	71.9
320.26642	1.6
337.10715	5.1
337.16675	1.9
337.21155	1.6
337.23770	1.6
337.27435	23.1
338.27679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
52.23407	1.1
53.03938	2.3
55.01889	1.8
55.05515	19.8
57.07081	60.5
59.05004	2.8
64.86510	1.0
65.03956	1.4
67.05170	1.5
67.05510	27.5
69.03428	3.0
69.07070	33.7
71.04999	17.9
71.08644	2.7
71.57224	1.3
73.06553	1.5
79.05060	1.4
79.05500	19.8
81.03419	2.9
81.07064	100.0
81.18536	1.2
83.04992	5.9
83.08141	1.4
83.08627	24.3
85.06551	59.6
85.07069	2.9
91.05488	12.1
93.07053	36.5
95.04963	4.4
95.08614	77.6
97.06554	8.0
97.10172	8.8
98.21340	1.2
99.04456	1.8
99.08080	7.9
101.06005	1.6
105.07043	30.3
107.04965	1.4
107.08606	44.7
109.06537	20.6
109.10163	48.9
109.10918	2.7
111.08101	6.2
111.11731	3.7
113.09647	2.8
115.07609	1.3
117.06995	2.6
119.08591	26.4
121.06493	3.4
121.10149	34.8
121.11026	2.3
123.04452	1.3
123.08086	14.6
123.11720	48.3
125.09656	2.8
125.13319	2.0
125.82271	1.0
127.07558	11.4
127.11208	7.0
129.07007	2.9
131.08589	7.9
133.10146	20.0
135.08054	4.0
135.11703	29.1
137.09630	5.8
137.13255	21.3
139.11180	4.2
141.09087	2.1
141.12752	3.1
143.08571	4.5
145.10135	15.4
147.11699	18.4
149.09654	7.1
149.13277	18.2
151.11189	15.1
151.14825	3.4
153.09091	1.4
153.12790	8.0
155.14299	5.8
157.10155	5.9
159.11705	18.5
161.09572	1.4
161.13290	20.6
163.11177	4.5
163.14844	4.4
165.12761	9.1
167.10678	1.4
169.12253	1.3
171.11649	5.7
173.13298	7.6
175.11093	1.8
175.14845	7.3
177.12730	2.8
177.16394	5.4
179.14265	6.7
179.17914	1.2
181.12210	4.1
181.15849	1.5
185.13246	2.7
187.14828	3.1
189.16402	3.8
191.14340	2.6
191.17990	6.3
193.12236	5.0
193.15862	2.3
195.13843	3.2
199.14853	7.6
201.16400	9.4
203.17912	3.4
205.19449	5.5
207.13759	1.3
207.17429	2.1
211.20619	4.0
213.16431	2.5
215.17967	15.8
217.19612	6.5
219.08252	1.2
219.17458	4.0
221.19022	2.2
223.20634	2.9
227.14432	1.3
227.17935	4.1
229.19576	1.4
231.17447	1.7
231.21086	2.0
234.06526	1.3
235.17036	1.4
235.20616	8.7
237.18410	4.2
245.19110	2.3
249.08925	1.4
249.22153	2.8
251.20107	1.9
262.06232	2.1
263.20047	4.5
273.25681	3.8
283.24176	8.6
291.26831	7.0
301.21823	1.4
301.25278	24.8
305.08032	1.2
319.23392	2.6
319.26324	72.9
322.08170	2.0
337.10782	8.9
337.16656	1.7
337.23776	2.0
337.27457	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
55.01866	0.9
55.05511	3.6
57.03430	1.0
57.07078	4.1
57.80820	0.7
67.05225	0.7
67.05510	7.5
69.07050	3.3
71.08640	1.1
71.57535	0.9
72.08163	1.7
72.50925	0.7
74.09722	1.4
79.05479	2.4
81.07063	11.7
83.01337	2.7
83.08619	3.6
91.05476	3.5
93.07028	1.4
95.04984	1.1
95.08618	9.3
97.10171	1.3
105.07029	2.9
107.08606	1.7
109.06543	7.2
109.10154	2.9
111.08047	1.0
119.08601	1.1
121.06522	2.2
123.04427	1.1
123.11706	1.6
133.06506	4.0
137.05983	18.8
147.08047	2.4
151.07542	5.4
153.05490	3.5
155.07025	6.0
161.05949	6.5
165.05592	1.2
165.09145	5.2
167.07054	100.0
168.07414	1.3
175.07581	2.1
177.05389	1.6
178.06230	2.0
181.08598	1.3
183.06599	4.4
184.09824	0.7
193.06845	1.1
193.08627	21.1
199.74879	0.8
257.83170	0.7
319.22702	2.7
337.23767	81.8
337.32529	1.7
338.23929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
50.94480	0.4
55.01859	0.5
55.05518	4.0
57.03429	0.5
57.07079	4.6
65.03922	0.5
67.05505	5.0
68.99794	1.8
69.03426	0.8
69.07070	5.4
71.04986	1.0
71.08638	2.0
79.05493	1.0
81.03419	1.2
81.07059	6.0
83.04985	1.0
83.08621	2.8
85.02907	1.0
85.06535	0.5
85.10186	0.9
90.01602	0.3
91.05470	1.5
93.03374	0.4
93.07034	0.7
95.04962	1.3
95.08607	5.2
97.10162	1.4
97.48173	0.3
98.21134	2.0
105.07038	0.4
107.08596	0.6
109.02905	1.0
109.06520	1.4
109.10162	2.3
111.04452	1.8
112.72115	0.3
119.04940	2.9
121.10117	0.5
123.04435	9.3
123.11732	0.7
127.03922	7.8
133.10104	0.6
135.04413	0.4
137.05978	12.0
137.13232	0.4
139.03906	57.3
147.04420	1.8
151.03889	2.9
151.07524	0.8
151.14845	0.3
153.01779	2.5
153.05447	3.4
155.03397	38.7
165.05484	18.8
167.07094	0.6
169.04889	0.6
179.07014	1.2
183.06468	0.5
217.19495	0.5
235.20728	0.6
276.59998	0.4
319.22668	2.2
337.23743	100.0
338.24231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	Topsentolide B3
Peak:m/z	Relative Intensity
55.05517	3.7
57.07081	5.9
67.05515	5.6
69.07072	3.3
70.23412	1.0
70.23799	0.9
71.04992	0.7
71.08641	2.4
72.04513	1.1
79.05517	1.0
81.07065	6.1
83.01337	3.1
83.04971	1.3
83.08630	2.1
85.06535	0.5
85.10186	1.5
91.05484	1.7
92.60289	0.4
93.07032	1.4
95.04970	0.7
95.08618	6.5
97.10128	1.0
98.20898	0.6
98.21399	0.5
105.06982	1.1
107.08580	1.0
109.06519	2.5
109.10159	4.3
119.08596	3.4
121.06502	0.8
121.10133	0.4
123.08054	2.0
123.11738	0.6
124.05245	0.5
125.06000	0.8
129.07001	0.8
135.08069	0.6
137.05994	3.3
137.09631	0.8
139.07565	4.7
141.05527	0.6
147.08044	7.8
149.07249	0.5
151.07555	15.1
153.05504	0.6
155.07069	2.7
165.05522	1.8
165.09129	6.6
167.03395	3.6
167.07054	49.3
169.08688	0.4
175.07568	9.5
177.05519	0.7
178.06268	1.8
179.07004	2.5
179.10706	0.5
181.04938	2.3
181.08623	1.5
183.06554	21.1
189.09100	0.5
193.08632	10.3
199.79678	0.4
202.81848	0.4
207.10178	0.5
219.24103	0.5
258.67325	0.5
319.22760	2.6
337.23764	100.0
338.24149	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	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	38.3
55.13443	2.4
57.03430	10.0
57.07079	26.5
65.03894	3.1
67.05508	45.8
69.07066	38.4
69.43029	19.7
71.04990	6.4
71.08640	15.8
72.68512	2.5
74.46598	2.0
79.05502	18.1
81.07062	84.8
83.04986	6.8
83.08618	26.4
85.02892	8.7
85.06518	8.5
85.10171	6.9
91.05481	13.3
93.07031	15.0
95.04958	4.0
95.08616	100.0
95.09233	5.0
97.06505	5.0
97.10166	10.3
101.06041	2.4
105.07062	17.4
107.08561	6.4
109.06522	3.1
109.10168	15.8
115.07574	3.0
119.08578	27.5
121.10179	14.3
123.08069	11.0
123.11675	5.2
127.03915	10.4
127.07557	3.2
133.10114	13.3
135.11743	11.5
137.09615	4.9
137.13264	25.6
141.05495	4.4
149.13219	3.4
153.01837	99.8
155.08487	2.3
161.13278	59.6
167.03401	19.2
167.07086	3.2
169.15836	8.4
179.14348	25.6
197.15369	40.5
337.17963	7.2
337.27414	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2008
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
53.03937	0.4
54.44144	0.3
55.01847	0.4
55.05510	3.7
57.03424	1.1
57.06822	0.4
57.07078	5.4
67.05505	9.0
69.03416	0.3
69.07068	3.8
69.57407	1.5
69.57820	0.7
71.01353	0.7
71.04978	0.4
71.08630	6.9
79.05487	1.8
81.03424	0.3
81.07057	12.6
83.01321	0.4
83.04971	1.3
83.08627	1.5
85.06535	0.4
85.10183	3.4
85.46353	0.3
91.05474	0.9
93.07055	1.7
95.08608	11.8
97.06535	0.3
97.10152	0.7
98.20914	0.7
105.07020	0.8
107.08608	1.5
109.10178	1.9
111.04421	0.5
111.08074	0.3
111.11685	0.3
112.02949	0.3
113.06025	0.3
119.08508	0.3
121.10143	0.9
123.04408	1.0
123.11716	0.8
128.16174	0.3
133.10139	0.6
135.11696	0.4
137.13229	2.1
140.66309	0.3
141.05466	9.6
147.11670	0.5
149.13246	0.5
155.14310	7.2
161.13261	0.5
165.01833	0.3
165.05554	0.4
167.03401	100.0
168.03709	1.0
180.69858	0.2
183.06564	1.9
187.58572	0.3
197.15385	2.1
337.20367	3.5
337.27325	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	337.2009
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
50.01585	0.4
55.01867	1.5
55.05497	1.6
55.87776	0.3
65.03941	0.4
67.05507	5.7
68.99773	1.3
69.07063	2.0
70.80323	0.8
71.04967	0.4
79.05504	1.2
81.03394	0.7
81.07062	5.1
82.63371	0.4
83.04966	0.5
85.06508	0.4
91.05482	0.8
91.56750	0.3
93.07061	1.1
95.04974	0.7
95.08610	5.4
97.02895	0.6
97.06542	0.4
97.10171	0.4
105.07027	1.2
109.02850	0.7
109.10149	0.9
111.04429	1.1
119.08562	1.1
121.10123	0.9
123.04423	1.4
124.01579	2.0
127.03873	0.4
133.10136	0.7
135.11678	0.6
137.13235	2.0
139.03951	0.7
141.05466	15.1
152.01080	2.7
153.04286	0.8
153.05464	10.1
153.12689	0.6
155.14313	0.4
161.13251	1.4
161.46727	0.4
167.03401	100.0
168.03671	0.8
169.04951	0.4
170.02098	2.2
177.05446	0.9
179.07034	1.6
179.14267	1.3
193.04939	1.3
195.06470	0.6
207.10265	0.7
223.09769	0.9
277.17950	0.7
301.18045	0.9
307.24268	0.5
309.40311	0.6
319.19064	10.4
320.19714	0.5
337.20264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
51.46801	1.5
51.56894	1.5
55.01875	2.8
55.05518	16.1
57.03428	4.5
57.07076	37.7
65.03932	1.4
67.05505	28.7
69.07072	13.9
71.04990	23.6
71.08623	2.8
79.05483	7.1
81.07059	31.2
83.08625	8.5
85.06528	2.5
85.10176	2.6
91.05478	4.6
93.07043	8.8
93.16305	1.8
94.62896	1.5
95.08041	2.8
95.08607	38.1
97.06487	2.3
97.10161	4.9
98.21301	9.0
104.53345	1.4
105.07024	4.8
107.08585	5.2
109.06514	1.4
109.10152	19.6
119.08559	6.1
121.02921	1.8
121.10144	3.8
123.11699	5.8
124.14003	1.4
127.11186	7.5
133.10100	3.7
135.11664	3.5
137.13254	5.1
139.90302	1.7
141.05481	2.8
153.37694	1.6
161.13261	12.2
167.03381	24.6
167.07039	1.7
169.15884	100.0
177.05414	9.9
179.14291	6.8
179.15701	1.7
182.05357	2.6
183.05365	1.8
195.06490	2.0
197.15369	53.5
201.91631	1.6
266.36469	1.7
337.27347	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
58.06586	1.7
61.65029	0.4
61.93092	0.5
63.02364	0.7
70.06605	0.6
71.17600	0.6
71.17921	0.9
72.08150	1.1
79.76695	0.5
84.08129	0.6
87.04457	1.4
89.03910	6.2
91.05473	0.5
98.06057	4.5
98.21201	0.6
107.04922	0.5
117.03381	24.9
125.10735	1.6
126.09155	26.4
134.03653	1.6
135.04434	1.5
135.05424	0.4
139.47943	0.4
143.10722	0.9
143.11800	12.7
144.10197	3.5
145.02846	67.7
146.03178	0.9
149.05984	7.6
152.07042	0.8
161.12848	9.8
163.03943	0.7
166.04984	2.4
169.09770	1.0
177.05470	100.0
178.05794	1.1
182.04472	0.5
186.05479	0.7
187.10773	1.1
207.02724	0.5
221.74371	0.6
224.59415	0.5
234.11253	34.1
238.53348	0.5
267.17737	0.5
269.06955	0.5
283.10825	1.5
288.62625	0.5
301.11700	1.1
319.12946	2.3
319.16599	2.1
320.14835	1.4
337.17569	37.0
338.17929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81086	0.3
51.59042	0.4
58.06597	0.7
63.02368	0.4
67.42522	0.4
70.70964	1.2
72.08127	0.5
87.04462	0.7
89.03392	0.6
89.03905	4.1
91.05469	0.4
98.06062	1.9
98.21207	0.5
106.04161	0.4
110.07551	0.4
110.17416	0.3
112.53084	0.4
117.03387	17.9
123.08071	0.4
125.10735	1.7
126.09160	13.5
134.03651	0.9
135.04411	0.9
143.11800	10.3
144.10176	2.2
145.02849	62.2
149.05997	6.7
157.36243	0.5
161.12857	5.0
163.04039	0.4
169.01160	0.5
169.09752	2.1
176.07019	0.4
177.05476	100.0
178.05858	1.2
186.05515	0.8
187.10780	0.8
199.14525	0.4
209.90509	0.4
218.23351	0.4
219.08928	1.1
234.11259	47.8
235.11653	0.9
319.13278	0.5
319.16434	2.6
320.14764	2.1
337.04544	1.7
337.17581	35.7
338.17886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
55.01886	5.9
55.05500	6.0
57.07070	13.8
64.28658	4.8
65.18298	4.8
67.05524	23.8
69.07079	7.0
69.46082	38.8
71.04993	8.5
79.05463	8.0
81.07066	39.1
91.05476	9.3
93.07051	11.7
95.08601	17.6
98.21323	17.3
105.07018	7.8
109.10139	7.1
119.08578	11.4
123.11716	8.3
133.00349	4.6
137.05978	10.2
147.08124	5.8
147.11687	14.3
149.64091	4.5
153.05447	12.6
155.07048	26.0
161.13278	7.6
167.03392	15.9
167.07019	58.6
169.15889	40.4
177.05496	15.4
181.04953	100.0
195.06483	5.6
197.15381	10.7
221.11600	6.2
315.03064	5.5
319.19095	13.1
337.19931	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	337.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.05510	8.6
56.96568	8.8
57.03447	13.7
59.05003	77.0
61.02928	5.8
69.03438	53.5
69.40554	28.8
71.04993	52.9
71.76070	3.7
73.06558	39.9
73.96334	3.1
79.55929	3.6
80.40469	3.3
81.03429	29.9
83.05001	10.7
85.02905	100.0
87.04485	5.1
89.06049	15.1
89.48930	4.1
93.22985	3.2
95.04997	5.9
97.02893	57.6
97.06567	4.2
99.04458	22.4
103.03970	13.5
103.05470	3.9
105.03470	4.0
107.07090	6.2
109.02870	23.1
110.81410	3.6
115.03918	4.4
117.03376	3.9
117.05502	39.1
123.04455	9.3
127.03925	61.4
128.15253	3.1
129.05574	4.6
131.04945	7.6
139.03934	6.6
141.07021	3.6
145.02870	15.4
145.04921	21.5
153.01851	8.0
159.06577	7.6
161.07104	16.8
165.27026	3.2
171.06593	7.0
173.08148	10.6
177.05501	19.6
185.08084	7.3
187.04056	3.8
191.07059	4.7
193.53697	3.6
197.08003	3.5
205.08704	3.8
215.09190	6.0
234.11343	6.5
251.11263	8.1
275.09241	6.6
277.07129	8.6
291.10019	6.2
319.13455	19.2
337.03610	4.1
337.10178	17.8
337.13922	14.3
337.17676	11.0
351.64740	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	337.1645
Annotation	Illudacetalic acid
Peak:m/z	Relative Intensity
51.03889	2.6
51.51947	2.3
53.03929	3.6
55.05500	8.0
57.03429	4.6
57.07065	8.8
57.52135	2.4
67.01814	2.6
67.05512	30.3
68.99795	5.6
69.03426	4.4
69.07053	7.2
70.89458	5.1
79.05515	8.9
81.07071	25.9
83.01367	3.1
83.08600	3.9
85.06540	5.6
86.49233	2.6
91.05473	11.5
93.07059	15.5
95.04965	8.0
95.08610	34.7
97.06520	3.3
98.21220	3.7
105.07028	7.4
106.46737	2.5
107.08595	7.4
109.02876	3.0
109.06532	5.9
109.10155	11.4
111.08125	4.8
119.08586	12.7
121.10160	4.2
123.04401	6.4
131.08536	2.9
137.05951	7.9
137.09648	16.1
139.03912	5.1
141.05479	16.6
147.11699	7.0
152.01059	3.4
153.05467	36.9
155.07065	9.6
161.05870	2.8
161.13274	4.8
167.03412	100.0
167.07040	26.4
177.05460	7.4
179.07047	9.0
181.04950	32.6
181.22261	3.0
191.06993	3.5
193.08632	11.3
195.06483	2.6
207.10178	16.6
209.08281	3.6
217.08636	5.3
221.11699	4.9
245.18184	3.0
259.13412	6.4
270.05026	2.5
277.14316	11.8
319.18832	5.3
319.26303	4.0
337.17792	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	337.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27827	2.2
55.01879	11.1
57.03419	2.7
61.02932	13.0
65.03891	2.9
68.99785	3.3
69.03421	3.2
69.69360	10.7
69.69769	4.8
71.06837	2.3
73.02906	3.4
75.02405	2.3
79.05486	3.5
81.03407	5.3
83.01321	4.4
85.02928	4.0
91.05509	6.8
93.07065	2.5
95.04964	2.9
97.02890	2.9
101.02383	7.1
103.05463	26.1
105.07043	10.1
107.04952	4.5
108.63210	2.2
109.02921	3.9
115.05431	14.6
117.03414	13.9
117.07005	7.3
118.04142	15.4
119.04976	3.6
119.83832	2.7
123.04406	3.4
126.09177	7.8
127.03914	2.7
128.06245	6.0
129.03421	4.2
129.07030	6.4
130.04167	10.8
131.04932	92.8
131.08594	3.0
132.05740	5.2
133.06483	13.8
135.04501	2.3
141.07011	18.6
143.04926	5.6
143.11798	8.1
144.05717	7.6
145.02852	25.8
145.06491	8.7
146.03639	18.0
147.04398	12.8
148.05211	6.0
149.05960	4.5
153.06871	2.6
155.03442	3.4
155.04915	4.7
156.05731	3.0
157.02870	8.8
157.06497	14.4
158.03709	3.3
158.06032	2.4
158.07275	4.0
159.04401	15.3
159.08086	5.2
160.05267	7.4
161.05988	30.8
161.12868	2.8
163.03952	4.5
167.07086	6.6
168.05597	3.6
169.06493	24.7
171.04459	9.8
172.05174	6.0
173.02435	3.4
173.05998	11.0
174.03128	6.2
175.03955	10.5
175.07462	3.8
175.08768	4.3
176.04709	21.0
177.05476	47.7
178.06267	6.5
181.04950	5.9
181.21104	2.2
183.04483	3.5
184.05209	4.2
185.02336	2.7
185.06027	11.8
186.06776	9.5
187.03917	49.7
187.07570	10.7
188.04721	11.8
189.01863	16.8
189.05490	23.7
189.30913	2.9
190.02493	3.1
190.06320	6.8
191.07048	83.8
192.04237	3.1
193.08627	9.3
196.05171	2.9
197.06017	20.7
199.03992	4.9
200.04700	9.1
201.05469	5.3
201.09059	7.5
202.02486	2.4
202.06274	3.1
203.03462	12.1
203.07005	7.0
204.04205	47.2
204.07832	3.2
205.04898	13.1
205.08597	11.3
206.05753	7.9
211.07610	5.3
212.04732	3.2
213.05528	11.6
214.06279	10.2
215.03539	4.1
215.07034	22.1
216.04214	8.6
216.07747	2.6
217.05058	21.9
217.08595	8.1
218.05806	15.6
219.06535	68.7
221.08115	5.1
225.05368	4.4
227.03430	3.8
228.04260	2.8
229.08623	15.0
230.05775	4.7
231.02901	9.5
231.06508	11.5
233.08051	11.6
234.05247	7.8
234.11241	16.9
235.05960	14.1
241.04857	4.6
242.05731	4.9
243.06580	21.4
244.03644	4.6
244.07393	3.0
245.04453	39.8
245.08105	19.6
247.05962	2.6
247.09669	19.0
249.07584	13.5
257.08105	26.0
259.06046	5.4
260.06824	33.9
261.07526	3.7
262.04712	23.3
263.05536	20.1
263.09293	3.8
273.07608	17.3
275.06067	4.8
275.09143	89.5
277.07089	100.0
278.07794	2.6
287.05618	12.9
291.08621	6.5
301.07101	15.2
319.08121	25.5
319.12439	4.6
337.09659	13.3
337.13837	5.8
337.17487	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	337.0808
Annotation	(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol acetate
Peak:m/z	Relative Intensity
56.22386	1.9
56.96571	58.3
57.03443	2.3
57.21875	1.8
61.02934	2.3
65.37482	1.8
69.03429	6.0
69.85691	11.0
70.98122	18.7
71.65609	1.7
71.95276	3.4
74.97622	2.8
81.03427	4.8
84.96056	11.0
85.02938	9.5
87.04443	2.1
88.99165	8.9
92.43517	1.9
95.83474	1.8
97.02898	5.0
98.20800	2.4
98.21349	4.1
98.97591	100.0
105.03423	2.6
110.97581	29.1
112.99158	11.0
115.00730	4.3
116.98632	40.0
119.01881	2.0
124.95494	4.9
127.03909	4.8
128.98610	32.2
131.00162	13.5
133.01729	7.6
134.99680	8.1
140.98557	5.1
142.96527	4.5
143.00200	4.8
144.98079	3.8
145.01727	2.7
146.99663	23.1
149.01213	7.4
151.02765	3.7
152.98615	4.8
153.01819	3.3
156.98082	3.7
157.03474	3.4
158.99667	21.2
161.01288	5.8
161.03032	3.0
163.02654	3.0
165.00705	9.1
170.96106	6.7
170.99675	6.9
173.01259	4.0
173.02841	2.1
174.99239	10.5
175.02824	6.3
176.12769	2.1
177.00703	14.5
179.02258	2.8
184.97675	3.3
185.18208	1.9
188.97098	14.3
189.00734	17.0
190.98738	3.8
191.02261	4.2
193.00229	9.8
193.03844	3.9
195.01682	2.6
201.00793	3.4
202.98648	10.5
203.02293	2.8
205.00256	5.1
206.98112	10.9
207.01801	12.1
211.01068	2.1
212.97079	5.1
217.00285	6.0
217.03857	2.9
219.01767	37.4
220.99709	4.8
223.01294	3.3
230.98134	17.7
235.01242	6.2
235.04820	2.8
237.02832	51.6
237.05138	3.6
244.99597	14.3
248.99161	4.1
249.02917	3.2
255.03859	3.7
263.00754	29.4
264.01083	2.1
267.04062	2.2
277.02377	12.8
277.05966	31.9
281.01797	5.2
295.07019	94.2
311.67368	1.8
337.07986	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.81251	2.1
55.78945	2.3
59.39536	2.3
69.82383	13.6
77.63630	2.5
98.20901	4.3
98.21413	3.4
103.42384	2.2
119.01887	4.3
131.01860	3.2
145.03406	6.4
145.78406	2.4
146.73259	2.2
151.26295	2.2
155.01848	3.3
157.03375	3.6
173.02881	4.3
206.10262	11.4
217.01892	7.3
337.08765	100.0
338.14133	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	337.0915
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.02385	0.7
53.03948	3.1
55.01876	0.4
57.03439	8.1
67.05481	0.6
68.99773	0.4
69.03427	1.1
70.06602	0.9
70.68096	0.7
71.01350	4.8
71.16334	0.4
72.08156	0.6
73.02919	16.8
75.04486	0.7
76.73342	0.4
77.03940	1.2
77.70078	0.4
79.05503	4.0
81.03418	0.9
81.07068	0.8
85.02907	27.9
88.37968	0.4
91.05473	0.8
92.76569	0.4
95.01351	2.6
95.04973	4.3
95.08611	0.5
97.02920	0.5
98.20882	0.4
99.00813	1.5
101.02390	7.7
103.03944	9.2
103.35101	0.4
105.03393	100.0
106.03749	0.8
109.02881	0.7
113.02381	2.7
113.03512	0.8
116.72179	0.4
117.03356	0.6
121.10130	0.5
123.04435	19.8
126.09173	0.7
126.12802	0.7
130.85965	0.4
131.03415	4.1
133.06488	0.5
141.01825	2.5
144.13850	0.9
145.02847	2.9
147.04408	0.8
159.02873	4.5
166.05074	0.7
175.07454	0.5
176.30350	0.5
177.03966	1.1
177.05489	4.5
179.07040	6.9
193.12140	0.4
211.10745	1.1
226.56088	0.4
234.11356	2.6
253.74678	0.4
291.09818	0.5
297.59619	0.4
301.11728	0.5
319.12912	0.7
337.09149	32.4
337.17477	2.1
338.09470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02738	1.0
55.05499	1.4
56.96566	50.6
57.03437	1.3
59.04988	1.1
61.02930	1.5
69.03419	3.1
69.98978	5.4
70.98122	18.8
71.04979	1.9
71.95248	2.9
74.97597	2.3
81.03427	2.1
83.05019	1.2
84.96033	9.5
85.02911	5.7
88.99169	7.5
90.83076	1.0
97.02876	5.2
98.21178	2.4
98.97587	100.0
99.04451	1.2
101.00922	1.2
103.24333	1.0
107.00185	1.4
109.02863	1.2
110.97571	35.6
112.99142	14.2
115.00691	3.1
116.98620	37.9
119.01908	2.0
124.95515	5.2
124.99097	1.2
126.97092	1.3
127.00632	1.3
127.03899	3.0
128.98605	32.8
131.00168	15.4
131.01839	1.9
133.01764	7.4
133.03413	1.4
134.99644	7.5
140.98584	4.2
142.96548	6.4
143.00165	6.1
143.01866	1.7
144.98083	2.7
145.01717	2.6
145.04933	1.7
146.99649	25.7
147.00775	2.0
149.01207	5.6
151.02753	3.1
152.94960	1.8
152.98579	6.8
155.01884	1.2
156.98021	2.5
157.01662	1.7
158.01230	1.4
158.99664	14.7
160.97551	2.4
161.01239	5.5
161.03000	1.3
162.99200	2.1
163.02763	1.8
165.00725	10.6
168.06335	1.3
170.96007	8.3
170.99686	7.5
172.97583	1.2
173.01254	3.9
174.99203	5.8
175.02765	7.4
177.00734	11.6
179.02332	1.4
184.97569	5.0
186.99159	1.4
188.97087	21.4
188.98755	2.0
188.99084	1.7
189.00705	17.0
189.06024	2.0
190.98633	2.1
191.02257	2.8
193.00230	2.2
193.03857	4.7
194.71947	1.1
198.99149	1.4
201.00743	4.6
202.98570	9.1
205.00145	6.4
206.98167	8.2
207.01778	10.0
212.97093	4.4
217.00110	3.1
217.03775	4.5
219.01775	38.3
220.99692	6.3
223.01288	3.0
230.98175	19.8
232.99654	2.2
233.03226	1.8
234.06009	2.3
235.01222	4.5
235.04796	2.6
237.02840	48.1
244.99721	14.2
248.99196	7.8
249.02791	2.4
255.03902	2.5
256.06918	1.7
263.00757	28.5
265.05969	1.7
277.02353	10.4
277.05936	27.6
281.01834	5.3
281.05225	1.9
283.33408	1.2
295.03549	4.0
295.06992	83.7
305.01877	2.9
318.08527	2.3
330.87152	1.1
337.08038	33.8
355.09052	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	337.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
56.96569	14.9
57.03429	2.5
60.05654	1.8
66.05323	1.9
69.03422	6.9
70.04795	6.3
70.06561	2.6
73.02922	2.4
81.03400	2.2
82.99847	3.1
83.04994	1.9
85.01389	3.5
85.02918	13.3
88.29141	1.9
97.02876	8.2
98.20908	3.3
98.21426	2.1
98.97592	13.9
101.00890	22.5
103.02477	11.4
109.02888	2.4
110.97547	6.4
112.99125	3.8
113.00848	10.2
114.77065	1.9
116.98615	3.6
119.01927	33.2
121.01645	2.8
121.03519	2.8
127.02445	12.1
127.03900	6.6
128.07117	2.1
128.98627	10.3
131.00325	1.8
131.01909	42.8
133.03473	6.7
137.02956	2.6
139.02417	5.5
143.00204	2.3
143.01938	10.2
145.03476	67.1
145.04681	3.7
146.03668	2.5
146.99658	5.1
147.01399	3.1
149.02946	4.5
153.01799	3.8
155.01907	26.1
156.98053	11.2
157.03473	40.7
158.99803	2.6
159.05032	2.9
161.02974	7.0
163.04465	4.5
167.01938	5.1
168.05101	2.2
171.01408	13.0
171.05006	3.4
173.01582	2.1
173.02972	48.4
174.99161	48.3
175.00648	3.8
175.02888	2.6
175.04552	8.1
183.01379	4.0
185.02939	12.7
187.04500	4.8
188.97069	2.6
189.02470	10.4
193.00230	37.2
197.03012	2.2
199.00876	7.5
201.02446	7.3
203.04016	5.5
206.10239	11.1
211.00960	5.7
217.00142	21.6
217.01959	100.0
218.02170	3.0
219.01720	2.4
221.05092	10.6
228.99963	3.4
229.01981	42.5
229.05437	2.6
235.01094	6.7
235.03067	31.5
235.06610	3.5
237.02797	5.5
239.06075	7.1
245.04996	4.1
247.01094	5.3
247.03195	22.7
247.06781	5.4
255.03964	3.1
256.00461	2.4
258.04791	2.5
265.07690	2.7
275.06033	7.0
291.09409	2.4
319.05130	5.3
337.05408	4.1
337.09213	40.6
337.17297	5.7
338.14532	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03945	4.6
55.01859	2.0
55.05268	1.3
55.05515	24.2
57.03440	24.4
57.07079	5.1
65.03942	4.1
67.05506	98.6
68.05820	0.9
69.03415	1.8
69.07071	26.5
71.04984	4.2
71.08627	2.0
71.57933	1.5
76.06483	1.1
78.27117	1.1
79.05495	52.3
81.07057	83.8
82.07375	1.2
83.04971	3.0
83.08622	8.3
85.02911	1.2
85.06541	2.8
91.05482	26.1
93.07047	54.6
94.07376	1.2
95.04999	6.0
95.08610	66.5
97.06512	3.6
97.10165	3.7
99.08102	1.4
105.07031	19.4
107.04957	1.1
107.08598	28.6
109.06500	2.4
109.10162	31.1
111.08078	2.0
116.59980	1.0
117.07035	6.9
119.08586	16.2
121.10143	22.2
123.08081	2.1
123.11706	8.7
129.07047	1.4
131.08578	10.9
133.10138	11.5
135.08000	1.3
135.11691	16.8
137.09628	1.2
137.13260	2.2
143.08591	1.6
145.10100	7.7
145.73004	1.0
147.11696	7.3
149.09648	2.0
149.13243	7.4
151.11142	1.3
155.07083	1.2
157.10098	1.9
159.11723	5.6
161.13301	4.9
163.14818	2.8
167.03401	3.2
173.13243	6.2
175.14841	2.1
177.12775	1.4
181.04947	2.1
185.13271	1.4
187.14876	2.1
189.16460	1.0
195.11790	1.4
197.13182	1.6
199.14734	0.9
201.16417	1.8
243.21114	2.7
261.22235	5.4
278.96301	1.0
317.24835	2.4
335.25815	100.0
336.26056	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	5.2
55.05516	26.8
57.03432	20.4
65.03950	4.0
67.05511	95.5
69.07077	22.9
69.07406	3.4
69.69099	24.4
79.05495	42.4
81.07063	88.0
83.08636	8.4
91.05492	25.0
93.07054	52.9
95.08618	62.5
97.06534	4.6
98.20886	8.6
105.07036	14.5
107.08604	22.4
109.10181	34.8
112.05434	3.4
119.08588	9.8
121.10168	18.3
123.11716	10.1
131.08560	8.7
133.10139	10.2
135.07994	3.9
135.11736	11.3
140.36893	4.0
142.21695	4.0
145.10153	5.4
147.11719	7.2
149.13251	7.2
159.11801	4.5
165.52895	4.0
173.13272	6.8
175.14827	4.6
261.22189	9.0
261.67902	4.5
335.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37630	1.1
52.44986	1.2
53.03932	4.2
55.01854	1.5
55.05516	25.9
57.03438	26.7
57.07057	4.3
58.78823	1.1
65.03936	3.8
67.05507	100.0
68.99763	2.1
69.03418	1.9
69.06713	1.8
69.07067	23.0
71.04988	2.8
72.37167	1.2
73.58356	1.1
77.03934	1.4
79.05497	45.6
81.03419	1.5
81.07058	86.7
83.04967	4.0
83.08620	11.3
85.02903	1.7
85.06530	2.6
91.05481	25.7
93.06465	2.1
93.07049	51.3
95.04952	4.2
95.08610	71.0
96.08925	1.4
97.06526	4.8
97.10149	4.7
98.20801	4.4
98.21496	3.5
99.08116	1.6
105.07028	18.1
107.08601	28.6
109.06535	2.2
109.10157	27.2
111.08067	1.9
111.11701	2.3
117.07015	4.4
119.08600	11.2
121.10146	23.0
123.08064	1.8
123.11693	9.4
127.03927	17.8
131.08574	10.0
133.10144	10.2
135.08116	1.1
135.11682	17.1
137.09497	2.3
137.13260	3.4
142.82289	1.7
145.10132	5.2
147.11700	7.5
149.13277	9.2
159.11700	5.1
161.13255	5.6
163.14813	4.3
167.03448	1.8
173.13243	6.2
175.14879	1.3
177.12840	1.5
177.16388	1.6
181.04930	1.5
187.14873	1.7
214.51761	1.4
243.21141	4.4
261.22266	8.2
277.14246	1.2
317.24750	1.7
335.25800	98.1
336.26184	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	1.6
53.70943	0.7
55.01860	2.8
55.05260	1.3
55.05511	19.3
57.03434	1.8
57.07078	11.1
65.03924	1.1
65.55878	0.8
67.01853	2.9
67.05168	1.1
67.05502	18.1
68.99780	1.3
69.03431	13.0
69.07069	23.9
71.04976	1.8
71.08646	4.4
71.58258	0.8
72.04509	1.8
74.63678	0.7
79.05486	11.5
81.03421	1.0
81.07056	19.4
83.00883	1.3
83.01339	16.4
83.04978	6.5
83.08614	11.3
85.10165	1.8
91.05474	4.2
92.58796	0.8
93.07040	13.9
95.04979	3.8
95.08604	12.8
97.02877	1.9
97.06532	7.0
97.10178	6.8
98.21024	0.9
99.04414	1.3
101.02372	1.0
105.07014	2.9
107.04942	1.5
107.07951	1.0
107.08598	10.4
109.06505	2.0
109.09435	1.0
109.10155	8.0
111.04438	10.2
111.08057	4.0
111.11662	2.3
117.07001	1.0
119.08575	2.6
121.06503	1.3
121.10148	9.6
123.04412	1.6
123.08025	1.4
123.11710	2.2
125.02360	16.7
125.05982	5.0
125.09612	2.2
131.08560	2.9
133.10115	2.3
135.08047	1.0
135.11678	7.5
137.06021	1.1
137.09538	0.8
137.13293	0.9
139.03860	2.3
139.07500	1.1
139.11148	1.9
140.04689	6.4
141.05464	17.2
142.66736	0.8
145.10094	1.3
147.11632	1.6
149.09599	2.3
149.13211	4.6
153.01831	26.8
153.04321	1.4
153.05470	21.1
157.06783	0.9
157.08588	0.9
159.11603	1.3
163.07524	1.4
163.11067	1.6
163.14789	2.3
165.09007	1.0
165.12723	1.8
166.13103	1.8
167.07027	2.3
167.10641	1.6
171.10098	1.2
173.13268	1.0
177.09085	1.3
177.12660	2.0
177.16316	0.9
181.04938	2.5
181.08669	3.9
181.12225	1.1
185.11778	0.9
191.14278	1.6
195.10161	3.9
199.13229	1.2
203.26691	0.8
209.11707	4.8
223.13251	8.8
223.16852	1.1
237.14856	11.7
251.16460	13.1
265.17996	10.0
279.19504	9.8
279.22870	1.9
289.25311	2.0
293.21106	3.6
317.24527	1.3
333.24301	0.9
335.21506	14.1
335.25735	100.0
336.25980	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.7
55.01867	2.3
55.05259	1.5
55.05510	25.3
56.62751	0.7
57.03440	22.4
57.07067	3.6
60.66973	0.9
60.67288	0.8
65.03949	4.5
67.05506	96.0
69.06717	1.6
69.07069	23.0
69.42442	7.0
70.99635	0.7
71.04991	2.1
75.72951	0.9
79.05492	50.8
81.07058	86.5
83.04982	2.2
83.08629	8.0
85.06532	1.8
90.32938	0.9
91.05480	27.0
93.07047	53.3
95.04980	4.8
95.08608	73.1
97.06525	3.9
97.10166	3.8
98.20885	2.3
105.04494	1.3
105.07038	16.5
107.07860	1.6
107.08594	27.0
109.06523	1.4
109.10159	27.1
109.10915	1.4
110.91467	0.8
111.08134	1.5
117.07027	6.2
119.08582	14.2
121.10150	21.3
123.11716	9.3
125.09636	1.6
129.07082	1.0
131.08559	9.1
133.10124	7.5
135.08015	1.3
135.11684	14.0
137.09601	1.4
137.13237	2.0
145.10127	6.0
147.11676	5.8
149.13268	7.5
153.05460	0.9
159.11693	3.5
160.86613	0.9
161.13254	4.8
163.11177	0.8
163.14824	2.9
165.12776	2.0
165.74060	0.8
166.32524	0.8
167.03406	1.3
173.13257	4.6
175.14819	2.6
177.16382	1.7
187.14818	2.1
191.14182	1.0
201.16370	0.9
220.82455	0.8
243.21078	2.6
261.22214	5.1
268.47430	0.9
273.01477	1.0
298.10309	0.9
317.24786	2.3
335.25800	100.0
336.26337	2.1
344.29190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.04109	2.9
55.05515	15.7
57.03447	22.4
59.20228	3.5
65.03948	4.8
67.05506	67.7
69.07068	11.7
69.94244	16.1
79.05497	34.2
81.07061	68.4
83.08618	7.9
91.05479	14.5
93.07038	38.5
95.08611	54.3
97.10160	3.6
98.21062	7.6
105.07073	15.8
107.08598	22.7
109.10175	24.3
112.64859	3.0
112.82437	3.0
119.08573	5.1
121.10116	15.4
123.11706	8.6
131.08562	8.3
133.10112	12.3
135.11684	18.2
145.10127	11.8
147.11685	8.6
149.13283	9.0
161.13275	6.7
163.14784	3.6
187.14848	4.7
189.88672	3.4
219.52383	3.4
230.12314	3.1
240.87747	3.3
243.21080	8.8
261.22156	11.0
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03945	1.8
55.05507	14.7
57.07075	18.2
58.06594	1.1
65.03940	1.0
67.05505	13.2
69.03426	2.2
69.07065	10.1
69.91173	3.2
69.91582	2.2
70.06594	5.3
71.04997	11.1
71.06930	1.7
79.05490	7.7
79.64159	1.2
81.06571	2.0
81.07057	37.9
83.04983	100.0
83.08637	2.3
85.06541	16.7
86.09676	1.2
88.07634	2.3
91.05493	5.7
93.07050	15.4
95.04974	1.2
95.08606	31.4
95.73170	1.2
97.06525	4.8
97.10178	2.0
98.21432	1.1
105.07029	9.7
107.08601	19.0
109.06514	7.0
109.10151	17.9
111.08070	2.7
111.11755	2.0
119.08562	10.6
121.10140	13.5
123.08082	7.2
123.11707	18.4
125.09646	2.1
127.07565	4.2
131.08574	3.7
132.10236	1.8
133.10124	8.9
135.08026	2.4
135.11723	11.3
137.09637	4.9
137.13280	5.5
139.11209	1.5
143.08504	1.2
145.10143	7.3
146.11795	1.2
147.11691	10.4
149.09645	8.1
149.13261	6.8
151.07605	1.2
151.11186	8.4
151.14809	2.1
151.86272	1.0
153.09099	1.9
153.12764	4.5
153.78285	1.1
155.10684	2.9
157.10159	1.7
159.11685	8.4
161.13261	3.5
163.11189	4.5
163.14836	3.0
165.12773	5.0
167.10666	3.4
169.10117	1.3
173.13258	4.6
175.14780	2.8
177.12802	3.1
177.16338	2.3
179.14348	1.7
181.12231	1.5
187.14879	2.6
189.16389	2.5
191.14281	1.5
191.17992	2.4
193.15953	1.6
199.14868	2.0
201.16423	4.6
203.17993	5.0
213.16484	1.5
215.17929	5.2
217.15860	1.5
219.17386	1.8
221.18997	4.7
225.16426	3.6
229.19492	9.6
229.23552	3.5
233.19104	5.7
235.16885	1.4
237.18457	1.8
243.17401	7.1
247.20641	4.7
251.20007	2.0
261.18533	12.8
265.21649	2.2
272.25858	1.8
273.26199	13.0
279.19543	3.9
281.22723	2.2
289.25189	1.5
299.23602	6.0
316.25156	1.1
317.24765	14.8
335.25775	31.1
335.29877	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	335.2215
Annotation	Phomactin A
Peak:m/z	Relative Intensity
55.01867	1.1
55.05512	2.4
57.03424	0.4
57.07070	0.9
67.05505	4.4
68.56194	0.3
68.99786	1.0
69.07076	2.3
69.43701	0.4
69.66299	2.0
78.95477	0.4
79.05499	2.7
81.07068	3.7
83.01340	2.6
83.04975	1.0
83.08608	1.7
91.05472	1.3
93.07030	1.6
95.04962	1.2
95.08600	3.2
97.06518	1.2
97.10162	1.3
98.21157	1.3
105.07043	0.8
107.08569	1.7
109.06506	0.8
109.10145	1.4
111.04472	0.5
121.10120	1.2
123.04458	0.5
123.11745	0.5
135.11658	0.6
137.05945	2.1
138.03114	3.3
141.05486	1.3
146.35931	0.4
147.92535	0.4
149.13162	0.4
151.07536	0.9
153.05466	4.2
155.07040	2.4
155.92473	0.4
163.07472	0.4
163.14795	1.7
165.05428	0.6
166.02649	3.3
167.03407	23.4
167.07051	9.6
170.02174	0.7
177.05484	1.2
179.07062	0.5
181.04964	100.0
182.05295	1.3
183.06494	0.8
184.03670	4.5
191.07062	1.5
193.08571	1.4
195.06494	0.8
205.08638	0.8
209.08084	2.2
219.10225	0.7
221.11678	0.8
233.11751	0.4
317.21136	1.9
335.22174	29.1
335.25742	2.2
336.22601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
53.03938	0.7
55.01862	1.4
55.05258	0.8
55.05511	11.7
57.03427	1.7
57.07071	3.8
57.17336	0.4
60.59358	0.4
61.44902	0.4
67.05508	14.9
68.99792	6.0
69.03413	0.7
69.07069	16.7
71.04985	1.3
71.08623	1.2
71.57112	0.6
79.05490	8.1
81.03413	1.4
81.07059	14.8
83.04975	0.9
83.08615	8.1
85.02939	0.7
85.06544	0.8
85.10181	0.8
87.00841	0.8
91.05481	3.4
93.07051	9.7
95.04958	1.0
95.08610	13.3
97.06017	0.5
97.06508	2.7
97.10168	4.8
99.08064	0.8
105.07038	2.4
107.04945	0.4
107.08586	5.9
107.91359	0.4
109.02881	1.7
109.06530	0.8
109.10159	8.6
111.00802	9.4
111.04414	0.9
111.08049	1.5
111.11740	1.2
117.07047	0.4
119.08571	1.4
121.10146	7.4
123.04436	1.7
123.08089	0.6
123.11714	2.2
125.05969	0.9
125.09612	0.6
125.13269	0.5
127.03916	100.0
128.04274	0.9
131.08580	0.7
133.10138	1.3
135.08060	0.6
135.11720	4.5
136.53412	0.4
137.09636	0.5
139.03886	0.5
139.07539	0.6
145.10129	1.0
147.11746	0.7
149.05984	1.1
149.09564	0.4
149.13252	1.9
151.07544	0.8
153.01820	0.6
153.05476	0.8
159.11705	0.7
161.13248	0.7
162.05840	0.4
163.14851	0.5
167.03386	2.9
169.05020	1.1
169.08580	1.9
173.13264	0.6
181.04887	0.5
190.13029	0.4
191.17911	3.2
193.08566	0.7
207.10147	0.5
209.19000	1.8
229.92377	0.5
233.18921	0.5
251.12881	0.5
251.20049	1.5
257.82257	0.4
261.22345	0.5
265.14459	0.9
281.95520	0.5
290.31805	0.5
296.92471	0.4
317.24661	0.4
321.38412	0.4
335.22134	4.0
335.25854	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	Phomactin A
Peak:m/z	Relative Intensity
53.03933	0.3
55.01872	0.6
55.05516	2.6
57.03425	1.1
57.07050	0.7
60.40186	0.2
62.54527	0.2
65.03926	0.2
67.05502	3.1
69.03415	0.5
69.07069	2.5
71.08599	0.3
71.57256	0.2
77.03902	0.2
78.52752	0.2
79.05489	2.9
79.75058	0.2
80.71865	0.2
81.07056	4.0
83.01342	1.2
83.05003	0.3
83.08622	2.0
85.06544	0.4
86.53045	0.2
91.05453	1.0
93.07043	2.2
95.04932	0.5
95.08609	3.0
97.02899	1.3
97.06547	2.0
97.10171	1.4
98.21001	0.2
105.07019	0.8
107.04958	1.2
107.08604	1.5
109.06532	0.2
109.10168	1.0
111.04424	0.3
111.08082	0.5
119.08585	0.3
121.06455	0.2
121.10143	1.4
121.23399	0.2
123.11684	0.5
125.05982	1.1
126.72548	0.2
131.08580	0.2
133.10126	0.3
135.04355	0.4
135.08070	0.3
135.11681	0.5
137.05942	0.6
137.13205	0.3
139.07547	0.4
149.13274	0.3
151.07532	0.8
153.05472	0.5
155.07031	3.0
163.14851	1.4
165.09196	0.2
167.07047	5.3
173.13321	0.2
175.07614	0.3
177.05446	0.2
177.09079	0.4
179.03381	0.4
179.07010	0.3
181.04959	100.0
181.15858	0.5
182.05272	1.0
183.06502	1.1
191.07010	1.0
193.08598	0.7
193.78683	0.2
195.06624	0.2
205.08672	0.4
209.08095	1.2
219.10085	0.3
221.11797	0.4
223.09679	0.3
236.02492	0.2
317.21112	0.6
335.22180	23.1
335.25784	1.9
336.22446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Phomactin A
Peak:m/z	Relative Intensity
55.01862	0.5
55.05512	2.1
55.91670	0.2
57.07070	0.9
58.50233	0.2
67.01867	1.7
67.05501	1.3
68.99773	1.3
69.03423	1.1
69.07064	3.1
71.08062	0.4
78.00248	0.2
79.01830	0.2
79.05485	0.6
81.03395	0.2
81.07050	1.5
82.57448	0.2
83.01335	0.4
83.08619	1.8
85.02913	0.2
85.10161	0.3
85.40578	0.2
91.05453	0.3
93.07026	0.8
95.08591	1.1
97.02882	0.7
97.06506	0.3
97.10169	1.3
107.04924	0.2
107.08581	0.6
109.10155	1.2
111.00797	0.9
111.04427	0.7
111.11726	0.4
121.10150	1.1
123.04380	0.5
125.05989	0.3
127.03913	2.5
135.11679	0.8
137.05951	0.7
139.03900	8.5
143.14304	0.2
149.05989	0.4
153.01823	100.0
154.02155	1.2
155.03426	1.2
160.83119	0.2
163.03922	0.6
163.07414	0.2
165.05467	1.1
167.03413	0.6
167.07111	0.3
169.04997	0.4
170.64401	0.2
171.02895	0.8
176.08795	0.2
177.05463	0.7
181.04959	3.9
191.07040	0.7
191.17929	1.0
193.08678	1.3
195.06453	1.0
205.08592	0.4
209.08185	0.2
209.18965	0.6
219.10016	0.2
223.10175	0.2
317.21063	1.2
335.22156	25.0
336.22522	1.0
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	Phomactin A
Peak:m/z	Relative Intensity
53.03944	0.4
55.01859	0.3
55.05512	2.3
57.03427	0.8
57.07062	0.8
67.05513	2.3
69.03401	0.3
69.07066	1.7
69.64875	1.1
69.65289	0.3
71.08604	0.2
72.05524	0.3
79.05503	2.5
81.07052	2.8
83.01336	1.2
83.04951	0.3
83.08620	1.5
85.06519	0.5
91.05461	0.6
93.07056	1.3
95.04950	0.6
95.08603	1.7
97.02898	1.8
97.06532	1.5
97.10157	1.0
98.21038	0.8
105.07022	0.5
107.04930	1.1
107.08604	1.4
109.06497	0.4
109.10149	0.9
111.04457	0.4
121.06481	0.3
121.10105	0.7
125.05981	1.5
125.09559	0.3
126.55873	0.2
135.04411	0.6
135.11700	0.5
137.05991	0.3
139.07533	0.4
147.08119	0.3
147.11650	0.4
151.07544	1.0
153.05507	0.7
155.07062	2.6
163.07663	0.3
163.14841	1.1
167.07056	5.5
175.07484	0.3
179.03468	0.5
181.04959	100.0
182.05276	0.8
183.06514	0.5
191.06841	0.3
193.08638	0.4
195.06490	0.3
205.08511	0.4
209.08116	1.3
221.11595	0.3
223.09622	0.6
232.56877	0.2
306.75482	0.3
317.21182	1.0
335.22174	23.8
335.25647	1.4
336.22632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Acronyculatin B
Peak:m/z	Relative Intensity
53.03923	0.5
55.05504	2.2
65.03930	0.4
67.05514	4.3
68.99786	0.8
69.03432	0.7
69.07068	3.4
70.87582	0.9
71.04989	0.6
71.08628	1.0
78.04795	0.5
79.05490	1.9
81.03425	0.7
81.07056	5.1
83.04980	3.3
85.06522	0.8
91.05470	1.4
93.06100	0.5
93.07064	3.0
94.93060	0.5
95.04973	1.1
95.08598	3.8
97.06507	0.9
97.10149	0.4
99.08083	0.7
101.53997	0.5
105.07018	2.3
107.08582	1.8
109.06525	1.1
109.10159	1.6
119.08587	1.3
121.06532	1.1
121.10131	1.1
123.04459	0.6
123.11761	1.1
124.01466	0.6
125.05984	0.7
127.03938	0.8
127.07536	0.4
133.10121	1.2
135.11722	1.1
137.05971	0.9
139.07495	0.7
141.05460	1.3
145.10106	0.9
147.01320	0.5
149.13257	1.0
151.07532	0.7
153.01869	2.3
153.05484	5.5
161.13237	0.8
163.03931	1.0
163.11107	0.7
165.05429	0.6
167.03409	32.4
167.07027	1.5
173.13362	0.5
176.04704	2.8
177.05475	3.0
178.06337	0.5
179.03412	2.2
179.06993	0.8
181.04947	2.1
184.32727	0.5
192.04225	2.9
193.05008	6.4
193.08611	0.7
203.06984	1.1
203.32352	0.5
204.04199	19.2
205.04974	8.8
205.08633	1.5
206.05745	5.8
207.06543	1.8
207.10187	0.5
215.06961	0.7
217.05002	0.9
218.05710	0.7
219.06538	42.7
219.10071	1.2
220.07184	0.7
221.08107	0.6
231.06503	2.4
232.07271	1.4
233.08089	1.1
245.08115	0.8
247.09642	0.8
275.16534	0.6
299.16418	0.5
317.17480	27.3
335.18536	100.0
335.29865	1.8
336.18787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01865	2.4
55.05518	10.7
56.05038	2.8
57.07075	2.8
58.06587	4.4
60.36452	1.2
62.15566	1.2
65.99767	1.4
67.05170	2.0
67.05509	29.4
68.99795	3.2
69.03417	4.0
69.07074	8.4
70.62962	1.2
71.04993	2.8
71.08624	3.7
71.56218	1.7
74.06080	1.7
79.05053	2.3
79.05497	24.9
81.03459	1.5
81.07064	54.0
82.07368	1.3
83.04972	5.0
83.08617	6.4
85.02874	1.3
85.06539	3.7
86.06059	2.0
88.07635	13.8
89.07969	4.0
91.05486	14.0
93.07041	24.1
95.04948	4.5
95.08613	38.5
97.02892	2.2
97.06527	7.8
97.10155	1.5
98.21387	1.6
99.08091	4.0
100.49612	1.2
105.07052	12.6
107.08602	24.6
109.06527	3.8
109.10157	9.2
111.00780	1.6
111.04447	1.4
111.08069	4.8
117.07013	5.1
119.08598	8.3
121.02877	1.4
121.06542	2.2
121.10167	8.1
123.04462	6.3
123.08080	2.0
123.11695	2.6
125.09619	3.1
127.03917	27.3
131.08577	17.1
132.10240	2.9
133.06442	1.6
133.10072	3.6
135.08060	3.1
135.11674	5.5
137.06007	3.5
137.09573	2.0
139.02911	2.5
139.03912	29.6
141.05466	3.0
145.10149	5.6
147.11662	9.1
149.09647	2.4
149.13257	14.3
151.07510	1.9
153.01836	100.0
153.05466	4.8
155.03384	4.4
155.07031	3.8
162.11206	1.7
163.03905	4.9
163.11243	2.6
163.14819	9.9
165.05522	5.5
165.12814	1.9
167.03404	26.6
167.07077	2.4
171.02873	1.8
173.08185	1.3
173.13264	22.1
177.05518	2.2
179.07060	1.4
181.04927	8.3
182.68744	1.4
187.14748	1.4
191.14333	6.7
209.15361	8.2
243.25194	11.8
287.27835	7.6
299.16522	2.5
317.17419	6.1
317.20782	1.8
335.18649	11.0
335.26105	2.3
335.29855	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
53.03947	1.3
54.64151	0.6
55.01863	1.4
55.05505	4.2
57.03442	1.0
57.07076	5.4
65.03941	0.9
67.05508	17.8
68.99783	1.9
69.07076	6.0
69.51783	1.5
69.52187	4.3
71.08625	0.7
76.22535	0.8
79.05492	13.6
81.07059	16.6
83.04973	5.3
83.08603	2.7
85.10177	8.9
88.81596	0.6
91.05486	3.9
93.03400	1.6
93.07045	21.4
95.04967	1.7
95.08607	9.0
97.02818	0.6
97.06514	2.2
98.20827	1.6
99.04442	0.8
101.50884	0.7
105.07059	1.4
107.04945	1.5
107.08595	14.8
109.06543	1.3
109.10150	1.4
111.04450	8.0
111.08059	1.3
113.09637	11.4
117.06991	1.5
119.08549	2.2
121.06532	0.7
121.10146	6.8
123.04426	1.0
123.11703	1.0
124.01551	1.6
125.92586	0.6
127.07520	0.7
131.08568	0.8
133.10129	1.5
135.11671	1.0
137.06047	1.2
139.07529	1.9
141.05461	7.6
149.13260	52.8
151.07549	0.8
151.14847	1.0
152.01056	2.5
153.05428	2.9
153.09105	0.6
153.12759	1.4
159.11697	4.1
163.03929	0.9
167.03403	100.0
167.14345	2.9
168.03763	0.9
170.02092	2.2
177.05496	1.2
177.12749	5.1
178.98944	0.7
179.07019	1.5
195.13783	8.6
203.07094	1.2
205.08606	11.3
207.06540	1.0
223.13246	0.7
239.17999	1.5
261.14807	1.3
265.19586	0.7
317.17490	9.5
317.20880	1.1
335.18561	14.1
335.22400	1.2
335.26669	2.2
358.68494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	Juruenolide C
Peak:m/z	Relative Intensity
53.03934	0.8
54.72314	0.6
55.01861	0.8
55.05515	2.9
56.56485	0.6
57.03431	0.9
57.07086	5.1
65.03929	0.6
67.05173	0.7
67.05509	13.1
67.07471	0.7
68.99782	1.3
69.03418	0.8
69.07079	4.0
79.05495	10.3
81.07063	11.7
83.04997	4.6
83.08604	1.2
85.10188	9.0
91.05486	3.2
93.03384	0.8
93.07050	13.3
95.04967	1.4
95.08593	6.4
97.06524	1.8
98.20945	3.9
98.21622	1.3
105.07010	2.3
107.08611	9.7
108.11015	0.5
109.06500	0.6
109.10149	1.7
111.04439	4.9
111.08077	1.5
113.09654	8.2
113.96364	0.8
116.97234	1.3
117.07007	1.0
119.08561	1.9
121.10143	4.7
123.04442	1.1
123.11700	1.5
124.01545	0.6
125.05969	1.2
131.08600	1.1
133.10114	2.2
135.11723	1.8
137.05980	1.3
139.03873	0.9
139.07558	0.9
141.05457	6.2
147.11659	0.7
149.13264	32.1
151.07603	0.6
151.14786	0.8
152.01080	1.5
153.05501	2.2
153.12727	1.6
155.06973	1.1
159.11710	2.3
164.88594	0.6
165.05484	0.6
167.03410	100.0
167.14316	1.2
170.02113	1.3
177.05452	1.5
177.12798	3.5
179.07062	1.3
181.05014	1.0
185.04434	0.9
195.13818	7.3
203.17943	1.1
205.08603	9.2
207.06560	0.9
219.06573	1.2
223.09650	0.7
228.44972	0.6
243.25089	1.0
317.17508	4.0
335.14526	1.0
335.18570	20.8
335.29892	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Juruenolide C
Peak:m/z	Relative Intensity
51.42624	1.2
53.03932	3.1
55.01870	2.9
55.05508	7.5
57.03428	1.0
57.07078	2.7
64.77304	1.2
67.05508	16.2
68.99792	2.3
69.07071	3.1
71.04992	2.7
71.33636	1.4
71.34000	1.8
73.18173	1.4
79.05492	20.7
81.03409	2.0
81.07058	14.2
83.04993	1.8
85.06548	1.5
91.05482	12.8
93.07044	39.3
95.04965	4.7
95.08617	8.2
105.07035	6.2
107.08597	11.2
109.10130	3.8
111.04433	1.2
111.91981	1.2
117.07032	2.9
119.08595	4.0
121.06521	2.0
121.10149	2.9
123.04449	3.0
123.08021	1.6
123.11723	1.7
124.01539	1.6
125.05914	1.4
133.10104	4.4
135.08095	2.5
135.11696	27.4
137.05975	2.6
139.03906	2.2
141.05455	13.1
145.10158	1.7
147.11662	1.6
149.13258	5.9
151.11191	1.6
152.01047	2.1
153.01828	2.0
153.05463	24.9
155.06999	2.2
156.37608	1.4
159.11726	5.0
165.05492	2.7
167.03409	100.0
168.03772	1.4
170.02121	3.0
172.87755	1.3
177.05449	5.3
177.12764	7.5
179.07048	4.6
181.04974	2.1
193.05023	3.7
195.06573	4.4
195.13872	1.7
275.19867	2.1
291.45715	1.2
299.16449	3.9
317.17435	13.4
335.18469	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	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32770	0.5
53.03936	1.1
54.87326	0.4
55.01864	0.9
55.05492	1.4
56.96535	0.5
57.03451	1.0
57.07055	1.1
62.58257	0.4
65.03924	0.7
67.01871	0.6
67.05506	6.6
67.17836	0.4
68.99783	2.0
69.07056	1.8
69.82817	2.8
71.04995	0.9
71.08634	14.8
72.04512	4.0
73.04871	0.5
79.05046	0.9
79.05492	9.0
81.03429	2.4
81.06631	0.8
81.07062	8.4
83.04970	1.4
83.08604	0.5
91.05476	2.1
93.07050	8.4
95.04964	2.2
95.08615	5.4
95.59576	0.5
97.06535	4.3
99.07482	0.9
99.08098	14.4
105.07008	1.4
105.73899	0.5
107.08601	5.3
109.06493	1.7
109.10162	2.4
110.34631	0.5
111.04441	1.4
111.08071	1.4
114.09171	0.6
117.06995	0.8
119.08591	1.3
121.06440	0.7
121.10176	2.3
123.04445	0.7
123.11712	0.9
124.01560	1.0
125.06004	1.3
128.10698	0.7
131.08562	1.0
133.10109	0.9
135.08099	1.1
135.11679	1.5
137.02341	0.6
137.05949	0.9
139.03915	0.7
141.05472	17.6
145.10095	0.6
147.11678	1.1
149.13263	17.7
151.07582	0.8
151.11197	1.0
152.01045	2.7
153.01883	0.9
153.05470	5.9
153.12761	2.8
155.07042	0.6
159.11588	0.7
160.05144	0.7
161.06026	0.8
165.05501	1.1
165.12793	3.0
166.13074	3.2
166.15462	0.4
167.03409	100.0
167.14323	4.5
168.03737	0.8
170.02092	1.4
171.42102	0.4
173.75540	0.5
175.07614	0.9
177.05498	1.6
177.12762	2.2
179.07018	1.6
181.04991	2.0
183.06516	1.9
191.07089	1.2
191.14288	0.5
195.13864	4.4
197.04578	0.5
203.07033	5.8
213.14812	0.9
219.06564	0.6
219.10161	4.7
221.08058	3.7
236.20123	0.9
237.11160	1.5
237.20407	1.6
317.17538	2.5
335.18564	16.6
335.22440	1.0
335.25641	1.7
335.27661	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92521	0.9
53.03935	1.8
53.83853	0.8
55.01856	1.0
55.05512	11.1
57.03440	5.2
57.07071	1.6
65.03934	3.0
66.02689	0.8
67.01856	2.6
67.05506	48.3
68.99804	2.4
69.03414	2.7
69.07074	10.2
71.02781	2.1
71.04979	2.0
79.05058	1.8
79.05498	31.8
81.07060	59.6
83.04975	4.2
83.08627	6.3
85.02874	1.0
85.06521	2.3
86.99944	1.0
91.05488	18.7
93.07048	30.6
95.04967	3.2
95.08611	48.0
95.09228	2.3
97.06536	7.0
97.10180	1.9
99.08140	1.7
103.07542	0.9
105.07031	13.3
107.08595	23.5
109.06534	3.0
109.10162	10.6
111.00806	2.1
111.04430	1.6
111.08072	4.9
117.07050	5.2
119.04894	1.1
119.08572	7.9
121.10149	15.4
123.04454	5.6
123.08077	2.0
123.11723	2.9
125.09642	3.0
127.03919	22.5
129.07024	1.6
131.08572	19.5
133.10130	4.3
135.08054	1.6
135.11713	10.4
137.05975	5.4
137.09555	1.6
139.03905	29.8
141.05435	1.2
143.08618	1.2
145.10109	7.1
147.11690	12.1
149.13269	11.2
151.03963	1.2
153.01831	100.0
153.05444	2.8
153.09113	1.1
155.03400	3.7
155.07039	3.1
159.11778	1.4
161.13249	2.0
163.03885	4.1
163.14813	8.1
165.05466	6.1
165.09125	0.9
165.12741	1.5
167.03456	1.4
167.07059	3.3
171.02901	1.2
173.13275	24.2
174.11879	0.9
177.05450	1.1
181.05005	8.0
187.14835	2.1
191.07150	1.3
191.14325	5.0
193.08670	2.0
208.76428	1.0
209.15340	7.3
261.22144	2.8
317.17487	6.1
317.24783	1.1
331.97275	1.1
335.18649	6.6
335.25766	18.6
335.29788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
53.03942	4.5
55.01884	10.6
55.05513	21.1
57.03435	2.9
57.07077	2.7
58.06600	2.6
65.03935	10.8
67.05168	4.3
67.05505	60.0
69.03423	6.4
69.07070	9.4
69.50129	16.9
74.06105	2.9
79.05493	55.2
81.07059	66.5
83.01340	19.2
83.04975	9.0
83.08620	7.8
85.02883	3.3
86.06036	2.6
88.07634	9.2
89.07951	3.3
91.05484	25.1
93.03416	12.0
93.07047	45.5
95.04962	12.3
95.08613	21.5
97.02901	3.4
97.06526	10.1
98.21170	8.4
105.07043	18.7
107.04954	10.7
107.08590	19.8
109.02849	4.5
109.06503	7.8
109.10164	6.6
111.04465	12.3
111.08036	3.5
117.07004	11.0
119.08594	15.5
121.06494	8.8
121.10149	39.1
123.03548	2.3
123.04425	7.7
123.08053	6.7
123.11693	12.9
125.05970	4.4
125.09586	2.8
127.03930	4.5
129.05466	4.1
131.08554	9.9
133.06433	2.9
133.10175	6.8
135.04465	5.1
135.08063	9.1
135.11710	9.4
137.02332	15.8
137.05969	8.5
137.09676	3.5
139.03868	3.8
139.07542	4.7
141.05460	3.9
143.08566	4.3
145.06522	5.3
145.10115	14.9
147.08049	8.3
147.11690	11.7
149.05959	4.9
149.09602	5.5
149.13260	3.3
149.27885	2.5
151.03920	5.6
151.07591	11.3
153.05473	29.3
155.07042	6.1
155.08534	5.2
157.10109	4.0
159.08032	5.7
159.11690	6.3
161.02295	3.2
161.05974	5.5
161.09648	2.7
161.13191	2.4
163.07495	10.6
163.11201	14.0
165.05545	12.3
165.09145	5.4
165.12772	4.3
167.03331	2.4
167.07050	26.2
169.05089	2.8
169.06723	2.4
169.10085	6.1
171.06517	4.0
171.11703	3.1
172.92584	2.6
173.09769	3.9
173.13243	3.5
175.07536	4.2
177.05449	6.5
177.09113	6.2
177.12785	2.7
179.03403	28.4
179.06934	14.0
181.04973	100.0
181.08597	3.4
185.09705	2.4
187.07578	6.1
187.11198	6.5
189.05443	3.4
189.09035	3.1
189.12727	5.5
191.07050	36.3
191.10696	2.8
191.14342	5.5
193.04959	3.9
193.08609	6.5
194.05771	7.5
195.06517	3.1
197.04469	20.2
197.09679	3.0
197.13170	4.1
201.09099	7.8
201.12750	3.2
203.10751	2.7
205.08580	14.3
206.05843	2.5
207.06500	21.9
207.10080	3.2
207.13792	4.3
209.08063	5.1
211.14940	2.7
215.10699	6.1
215.14410	4.2
217.08603	5.5
219.06499	3.0
219.10077	13.2
219.13785	8.7
221.08170	3.9
223.09674	2.9
229.08556	2.9
229.15901	6.7
231.10202	6.7
233.08093	3.1
233.11736	4.5
233.15393	10.6
235.09479	2.2
239.14368	3.7
242.24826	3.4
243.10173	4.1
243.13765	5.4
243.17400	3.7
243.25154	9.0
247.09636	4.1
247.16910	6.1
253.16055	5.2
257.13025	2.2
257.15305	12.6
261.14786	6.4
271.16949	15.0
273.14639	3.7
275.16476	22.5
281.15399	7.5
287.27719	3.7
289.17932	17.4
293.17407	2.9
299.16422	30.6
317.17471	66.9
317.20663	2.3
335.18729	20.5
335.29861	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	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01865	2.2
55.05507	10.2
57.03437	6.1
57.07063	2.1
61.01682	0.8
63.95056	0.8
65.03926	2.6
67.05505	63.9
69.03431	3.8
69.07072	14.3
69.25405	0.8
71.04985	3.3
71.36687	1.9
77.11447	0.9
79.05494	35.6
81.03417	2.2
81.07056	37.1
83.01342	3.2
83.04990	5.5
83.08604	5.7
85.02890	1.6
85.06547	3.6
87.26497	1.0
91.04966	1.4
91.05487	19.9
93.07046	44.2
95.04943	5.1
95.08606	23.0
95.09160	0.7
96.95364	0.8
97.02886	1.5
97.06544	7.5
97.10160	1.3
98.98410	1.0
99.08121	1.2
105.04526	1.2
105.07042	7.2
107.04956	3.2
107.08600	24.9
109.06509	2.6
109.10157	10.8
111.08027	2.0
116.27531	1.2
117.06986	4.8
119.08590	9.6
121.06522	2.8
121.10144	15.1
123.08063	1.9
123.11724	2.3
125.05991	2.5
131.08559	3.5
133.10141	6.3
135.08080	2.1
135.11699	87.0
135.42145	0.9
136.12053	2.2
137.05966	7.0
137.09607	7.4
139.07541	3.6
143.08568	1.6
145.10121	10.5
147.08012	1.1
147.11649	2.3
149.05927	0.8
149.13292	2.5
151.07565	6.4
155.07031	43.3
159.11670	1.6
161.13272	1.7
163.11183	8.6
165.12895	1.0
167.03336	1.0
167.07040	34.1
173.13231	1.4
175.07538	3.0
181.04961	100.0
181.12241	5.6
182.05299	1.7
183.06589	1.6
186.02837	1.0
191.07074	5.4
193.08629	2.7
209.08118	2.2
243.21065	2.0
261.22040	1.8
271.17062	1.1
303.23401	1.1
317.17444	4.4
335.18793	7.9
335.25806	24.6
335.29840	1.2
345.41592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
50.78231	1.4
52.57848	1.3
53.03948	3.2
55.01878	4.1
55.05515	8.7
57.03426	3.5
57.07073	9.4
59.59505	1.5
61.53432	1.4
67.05505	24.8
68.99792	4.0
69.03421	3.4
69.07076	8.7
70.81573	3.9
71.04998	32.0
71.08631	8.3
79.05498	17.3
81.03436	1.8
81.07062	37.9
81.12364	1.6
83.04968	2.1
83.08618	3.9
85.02909	2.3
85.06515	1.6
91.05495	9.0
93.07048	17.2
95.04966	5.1
95.08612	25.2
97.02907	2.0
97.06545	2.0
97.10159	2.2
98.20889	1.5
99.04474	1.4
99.08073	1.9
101.08986	1.4
105.07018	5.7
107.04964	1.6
107.08618	17.0
109.06510	4.9
109.10176	9.0
111.04463	2.7
111.08078	2.0
111.11739	1.7
117.07035	4.8
119.08614	3.9
121.06483	2.2
121.10157	10.0
123.04473	3.0
123.11748	1.9
124.01582	2.2
127.03915	6.5
129.67105	1.7
131.08577	6.3
133.10139	4.1
135.08076	4.8
135.11676	7.4
137.05988	3.1
137.73190	1.7
139.03905	6.8
141.05481	45.2
141.12727	4.5
145.10104	1.7
147.11714	2.9
149.13268	24.9
151.14835	1.5
152.01056	1.7
153.01831	19.0
153.05472	6.2
153.12738	2.0
155.07057	3.5
159.11681	6.3
162.03152	4.3
163.14810	2.3
165.05539	2.6
165.12764	2.3
166.13116	3.5
167.03412	100.0
167.07123	2.3
167.14337	6.6
170.02116	2.3
171.26421	1.6
173.13297	4.1
177.05493	48.2
177.12759	25.1
179.03413	4.8
179.07101	1.8
181.04962	5.1
183.05583	3.1
191.14404	1.7
195.06458	2.3
195.13821	11.5
209.15323	1.8
269.39133	1.5
317.17548	5.1
335.18512	36.9
335.25574	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05507	3.8
55.92500	0.9
65.03936	3.6
67.05502	9.9
69.03418	2.7
69.07070	100.0
69.52128	7.1
71.04996	3.1
79.05504	4.7
80.05014	1.2
81.03419	5.0
81.07063	16.0
83.04982	2.8
83.08589	1.3
85.06548	3.0
91.05471	5.2
92.04997	4.1
93.03397	0.9
93.07053	6.2
94.06573	3.7
95.04974	3.2
95.08621	8.7
97.02885	1.0
97.06528	19.3
98.20687	1.0
98.21287	3.0
99.04459	0.9
105.07034	6.3
107.04987	1.1
107.08598	7.4
108.04489	1.9
109.02851	7.5
109.06538	2.2
109.10177	5.5
111.04458	1.0
111.08113	1.6
117.07036	1.8
119.08595	3.3
121.05230	1.3
121.06523	1.5
121.10146	3.4
122.06024	7.6
123.08110	1.0
123.11715	2.1
124.07587	3.2
125.06014	1.1
127.03938	1.8
129.07005	1.3
129.09091	1.3
131.07289	1.4
131.08563	3.1
133.10112	3.6
135.08046	2.4
135.11673	3.1
137.05991	4.7
137.09648	1.2
138.05495	7.3
140.07059	6.8
143.08562	1.2
144.08072	3.3
145.06451	1.2
145.08890	2.6
145.10129	4.9
146.09663	4.8
147.06911	1.5
147.08038	1.9
147.11707	2.9
148.03952	1.7
149.09641	2.6
149.13173	0.9
150.05507	78.3
151.05936	1.1
151.11203	1.0
152.03539	1.1
152.07007	1.0
153.01790	0.9
155.08623	1.4
157.08867	2.8
159.08102	1.0
159.10478	1.0
160.07596	1.1
161.08350	3.6
161.09575	1.8
161.13167	1.1
162.09106	1.9
163.11198	3.1
164.03490	1.4
166.05016	32.1
167.07132	1.9
168.06572	1.1
172.07570	2.4
172.11217	3.7
173.08316	1.8
173.09706	1.9
174.09140	2.4
174.12817	5.8
176.03415	7.9
178.05017	2.4
185.08417	2.2
185.13271	0.9
186.07675	1.5
188.07164	1.3
188.10648	2.2
189.16386	1.9
190.08635	1.9
190.10718	0.9
190.12305	5.8
191.10651	1.4
194.04517	3.1
198.07832	1.2
200.07010	1.3
200.10727	7.8
202.12280	7.8
212.09105	0.9
216.10295	4.7
218.08322	1.2
218.11751	28.3
225.18445	2.1
226.08698	1.6
228.10197	16.9
234.11272	3.7
243.19540	1.2
244.09755	1.7
245.12819	2.1
246.11241	27.0
255.11287	2.1
256.09747	1.1
257.09348	1.3
260.27390	1.0
261.08755	1.2
261.12222	0.9
262.10760	1.5
271.10785	3.9
272.09155	3.2
273.12256	3.5
274.10678	3.3
284.63254	1.0
287.10220	9.4
289.11737	10.0
290.10187	2.9
291.13589	1.0
299.10168	7.6
299.20044	1.1
317.11322	33.3
317.21152	1.7
335.12247	22.5
335.18506	1.4
335.21967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
53.42317	1.3
55.01859	1.8
55.02693	1.1
55.05515	18.5
57.03431	3.2
67.05498	2.1
68.99786	1.8
69.03424	12.3
69.07066	2.2
71.04989	3.2
71.28814	2.4
73.06556	100.0
78.21484	1.2
79.05480	2.2
81.03414	9.5
81.07053	2.6
83.04970	5.7
85.02905	19.6
91.05482	3.6
95.04960	1.9
95.08615	2.5
97.02895	16.4
97.06506	1.5
99.04468	4.4
101.06018	22.3
103.05479	1.6
105.07035	1.9
107.04942	1.6
107.08563	1.9
109.02892	16.6
111.04478	1.8
119.08513	1.5
121.02835	3.5
121.06488	2.8
123.04323	1.2
127.03910	14.4
129.06941	1.3
137.02341	4.3
137.06007	2.0
145.04999	3.0
145.10121	2.6
146.05989	1.8
147.08028	1.3
149.39258	1.3
153.01814	4.2
155.35403	1.2
157.08644	3.5
163.03906	2.9
177.05482	2.5
179.03357	3.2
181.08543	1.9
191.03328	2.3
199.09636	2.9
205.04968	4.7
217.04977	6.6
217.10802	3.0
221.04355	2.9
233.04428	9.4
235.11702	2.0
243.02950	1.7
245.04480	9.0
261.03995	6.1
271.10663	1.6
273.03922	9.9
287.10278	2.2
289.03455	22.3
290.03525	1.5
291.04980	22.1
317.02835	11.5
317.11200	7.0
317.15442	2.6
335.04062	11.1
335.11935	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01859	5.1
55.05516	36.7
57.03440	3.0
59.04996	5.6
61.85305	2.0
65.03915	2.3
66.72063	1.8
68.99786	4.1
69.03433	21.4
69.31493	1.8
69.75716	10.6
71.04995	5.1
72.22330	2.0
73.06557	100.0
79.05488	2.8
81.03424	16.4
81.07021	4.7
83.04984	12.6
85.02907	36.1
91.05460	5.0
93.03395	2.1
93.07049	1.9
95.01330	2.5
95.04963	3.6
95.08630	3.6
96.75739	1.9
97.02903	25.7
98.20949	4.2
99.04439	10.6
101.06017	44.3
102.82080	1.9
103.03938	3.1
105.07035	4.8
109.02903	14.5
109.10147	4.0
111.04419	3.4
111.08109	2.5
119.08585	3.2
124.39321	2.2
125.02380	2.8
127.03931	24.2
128.06212	2.2
131.04933	2.5
135.04370	2.6
135.08081	2.7
137.02319	14.6
137.05972	3.3
137.07985	2.1
139.00285	4.7
139.03897	4.7
145.04958	5.4
149.02368	2.4
151.03915	6.1
153.01826	8.8
155.10690	2.7
157.08597	4.1
163.03897	7.2
163.07558	2.3
165.05484	4.7
167.03404	4.7
169.01337	17.0
173.06160	2.1
173.07788	1.9
179.07097	2.5
181.01283	7.6
181.08656	3.3
185.00845	2.5
187.03838	2.2
187.06023	3.6
191.03401	4.2
191.07059	3.8
199.09702	5.8
212.60669	2.0
215.03419	4.3
217.10495	2.4
219.02899	4.3
227.09114	4.9
233.04393	5.0
259.11777	6.7
261.03909	9.8
287.10187	4.9
289.03531	14.4
307.04565	2.0
317.02966	37.1
317.11209	8.8
317.15955	2.6
333.07529	2.0
335.03973	98.0
335.07315	4.2
335.18918	2.2
336.04352	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	335.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24268	0.9
52.76736	1.1
55.05490	1.6
56.96572	11.7
57.03419	1.7
57.95392	1.1
66.04528	0.9
69.03124	1.1
69.03435	10.8
70.06583	1.9
70.98126	1.4
71.04981	1.6
71.56915	1.2
73.02913	1.6
73.06528	1.2
73.14272	0.9
77.00896	1.2
81.03398	4.5
82.99845	2.7
83.04977	2.3
84.04523	1.0
85.02922	6.6
87.04439	3.4
88.99159	1.0
91.05487	1.3
96.72973	1.1
97.02897	5.0
98.97571	9.8
99.04444	2.1
100.99120	1.4
101.00895	18.3
101.05944	1.1
102.00965	1.0
103.02497	1.1
108.08077	2.1
108.68075	1.0
109.02865	1.8
109.08437	3.8
110.97537	1.7
113.00834	4.6
115.02421	4.4
115.03922	2.2
116.98635	5.2
119.01932	42.6
120.08121	9.4
121.03489	1.1
125.02407	1.3
127.02421	1.7
127.03911	2.4
128.98589	2.9
129.03972	2.4
130.06514	2.5
131.00217	2.4
131.01913	22.3
131.05562	8.1
133.03503	7.4
133.04973	1.9
134.99599	1.7
137.03006	5.3
137.05925	2.2
138.06268	1.5
138.61760	1.0
143.01906	81.6
144.98074	2.7
145.03416	8.9
145.04604	1.6
145.04811	1.3
146.99606	1.7
147.01408	1.3
147.03304	1.2
147.04985	4.1
149.02946	3.7
149.06613	10.4
153.01825	11.3
153.07478	1.5
154.02145	2.0
154.03435	1.4
154.07397	1.3
155.01904	25.4
155.05481	3.0
156.02664	2.4
157.03413	3.0
158.99629	3.5
159.05003	4.5
161.02972	100.0
162.03044	1.8
162.99118	3.9
163.02690	2.0
163.04572	1.2
171.05037	3.2
173.01392	1.6
173.02957	23.0
173.06601	32.5
175.04488	4.1
177.00684	3.0
177.06046	3.8
181.00140	1.2
184.04498	3.6
185.03094	1.8
185.04904	2.0
185.06604	29.2
187.04527	2.0
187.08138	5.7
191.06064	1.7
191.07646	9.0
197.06546	1.7
199.08043	2.2
201.00644	1.9
201.06058	2.6
203.04016	10.0
203.07648	17.9
205.00189	4.0
208.99565	1.1
211.00769	1.2
215.07654	16.2
215.10706	1.2
217.09248	1.9
219.01761	4.1
221.03137	1.5
221.05107	22.9
223.01178	4.4
226.09106	1.0
227.07573	2.7
233.08722	3.5
237.02739	3.7
238.91237	1.1
241.02327	1.2
244.07610	1.1
244.57942	1.8
245.05013	2.2
247.01270	1.5
256.30289	1.1
257.08759	5.2
273.07950	1.2
275.06906	2.1
275.09775	39.8
276.10034	2.4
277.03360	2.4
289.03802	2.5
293.10828	98.4
294.10989	1.9
303.01215	2.9
307.12424	1.7
309.08582	1.2
316.12271	2.9
317.12750	3.2
335.11835	51.7
336.11954	2.9
346.62900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25891	1.8
55.01859	5.6
55.05505	4.8
57.03426	2.4
57.07076	8.9
67.05503	13.8
69.07066	8.0
70.35184	1.6
71.08631	14.4
71.49659	3.6
72.04521	77.0
79.05493	9.6
81.07060	19.0
83.73796	1.7
85.06535	3.6
89.06042	3.0
91.05481	8.3
93.07053	15.6
95.04972	16.8
95.08601	21.0
97.06542	6.0
99.08077	5.6
100.07602	3.6
103.06234	1.8
105.07052	9.7
107.08594	15.4
109.06538	20.9
109.10174	5.1
114.09173	22.9
117.07008	3.0
119.08585	9.1
121.06517	4.1
121.10191	4.5
123.08108	2.2
128.10690	6.5
131.08583	5.5
133.10149	9.7
135.08054	2.1
135.11667	2.4
137.05980	2.1
142.12299	5.0
145.10120	3.5
147.11667	4.8
149.13245	4.5
151.14902	1.7
154.90001	1.7
155.07048	9.6
156.13861	2.3
157.10196	2.0
159.11728	1.8
163.14877	2.1
165.12775	100.0
167.06940	1.9
168.07405	1.6
173.13295	6.8
175.11205	3.2
177.12769	2.4
179.14282	2.1
180.13914	5.1
182.15427	18.2
184.13370	3.1
184.41689	2.1
191.14241	9.0
201.12784	5.2
212.16504	9.6
220.16969	10.9
229.19623	3.3
236.20105	41.5
271.20532	4.7
278.21225	2.5
289.21628	12.7
316.26440	6.4
329.70532	1.8
334.13519	2.8
334.21573	8.3
334.27472	56.9
335.25964	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
55.05495	5.2
57.03423	2.1
57.07069	5.5
67.05520	9.5
69.07071	7.3
69.61672	5.5
69.62080	2.2
71.08633	11.2
72.04520	75.3
77.88651	1.1
78.23568	1.1
79.05523	6.8
81.07057	15.4
83.04981	1.7
85.06541	2.3
88.07627	1.6
91.05483	5.6
93.07053	13.5
93.36473	1.2
95.04977	13.7
95.08615	16.7
97.06519	4.0
98.20901	3.5
98.21493	2.1
99.08103	6.3
100.07624	3.0
102.27153	1.1
104.07905	1.1
105.07055	8.1
107.08594	12.6
109.06527	20.6
109.10123	5.9
111.06107	1.2
114.09168	16.3
117.07071	2.2
119.08577	6.8
121.06519	2.8
121.10156	4.0
123.08072	1.6
128.10725	9.1
131.08571	5.3
133.10112	9.5
135.08028	2.4
135.11681	1.2
135.97754	1.3
137.09590	3.3
140.10719	2.3
142.12286	4.9
145.10136	2.9
147.11684	4.0
149.09639	3.4
149.13284	3.8
151.11154	1.3
154.12257	2.3
156.13831	3.1
159.11714	2.5
161.13251	1.6
163.11168	2.0
163.14854	2.3
165.12769	100.0
167.03415	1.6
168.03764	2.5
168.13881	2.0
173.13281	5.7
175.11186	5.0
178.80396	1.3
179.14246	1.5
180.13843	4.9
182.15413	14.9
184.06128	1.3
184.13379	1.9
184.16968	1.8
187.14838	2.1
191.14255	8.5
194.15431	2.2
201.12732	3.8
212.16431	10.8
220.16992	13.3
229.19533	3.4
236.20102	36.9
253.19658	2.1
271.20547	6.2
278.21066	1.8
289.21692	10.6
291.23523	1.3
316.26416	7.9
334.27420	49.2
351.19708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0396
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
51.02374	0.2
53.03943	0.2
55.01873	1.4
55.05510	0.4
57.03436	0.4
57.07061	0.7
62.19883	0.2
65.03931	0.6
67.05515	0.4
68.99787	3.6
69.03422	0.5
70.72141	0.5
71.01337	0.7
73.02916	0.3
75.19391	0.2
79.01839	0.6
79.05495	0.4
81.03403	0.7
83.04948	0.2
85.02895	1.4
85.06525	0.7
91.05468	0.3
93.03397	0.7
93.07019	0.3
95.01331	0.8
95.04971	0.5
95.08593	0.2
97.02910	0.9
99.00796	0.2
101.06027	0.3
107.01342	0.2
107.04934	0.5
109.02888	2.0
111.04436	0.7
113.02335	0.9
119.04955	0.3
121.02843	0.6
123.00801	0.9
123.04443	0.5
125.02341	1.8
127.00271	0.6
127.03899	0.8
131.04904	0.9
133.02831	0.3
135.04384	0.5
137.02345	2.7
139.00269	1.8
139.03893	3.2
141.01796	0.8
142.02551	0.3
143.03407	0.8
145.02835	0.2
147.04437	0.3
149.02332	0.6
150.05513	0.2
151.03917	0.4
153.01822	10.5
153.02774	0.4
155.03355	0.2
159.04391	0.8
159.10173	0.6
161.02403	0.2
163.03900	2.2
165.01837	2.1
166.99808	0.6
167.03470	0.2
168.00520	0.3
169.01317	21.6
171.02861	0.7
171.04233	0.2
173.02415	0.5
175.03891	0.5
177.05449	0.4
179.03447	1.1
180.99698	0.3
181.01315	4.6
182.02077	0.4
185.00821	2.2
187.03885	1.9
191.03360	1.9
193.01361	0.5
193.05017	0.4
195.02911	0.4
199.03906	0.4
205.04926	1.7
207.02910	0.3
209.00850	0.5
210.01595	0.4
211.02426	0.8
215.03383	3.4
215.05255	0.1
219.02867	1.8
223.02316	0.3
227.11797	0.2
233.04454	4.5
235.02306	0.9
237.03944	0.8
243.02924	1.5
243.11237	0.2
245.04338	0.4
247.02351	0.7
248.03307	0.2
251.05481	0.5
255.01434	0.3
260.03040	0.5
261.03940	6.8
271.02411	1.6
271.10834	0.3
273.04059	0.2
279.05011	1.3
287.10178	0.3
288.02655	0.2
289.03400	7.1
289.11887	0.3
290.03900	0.2
299.01672	0.3
299.10297	0.3
306.03632	1.6
307.04022	0.3
317.02917	4.6
317.11325	1.3
335.03952	100.0
336.04266	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Nb-Desmethyl-meso-chimonanthine
Peak:m/z	Relative Intensity
51.22594	0.2
52.00895	0.2
55.05497	0.4
56.61539	0.2
57.07088	1.0
60.60537	0.2
67.01849	0.3
67.05497	0.7
69.07060	0.3
71.08640	0.4
79.05500	0.3
81.07041	1.1
85.10175	0.3
89.06021	0.3
91.05474	0.4
93.07049	0.5
95.08602	0.9
98.20708	0.5
98.21391	0.9
98.98449	1.0
105.07040	0.4
107.08598	0.5
109.10165	0.6
114.65608	0.2
116.10009	0.2
119.08576	0.4
121.06481	0.4
121.10145	0.3
123.04432	0.3
133.10164	0.3
137.05988	0.9
139.03937	0.3
153.01825	3.1
164.04672	0.4
176.98822	0.2
179.03384	2.0
181.04979	0.7
192.04179	18.8
193.04968	4.8
205.04955	8.2
206.05768	0.6
219.06609	0.6
247.09676	0.3
330.68756	0.2
333.20596	100.0
334.20889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	(-)-7-Hydroxycannabichromane
Peak:m/z	Relative Intensity
53.03944	5.2
55.01854	3.6
55.05511	53.1
57.03433	2.5
57.07078	11.0
65.03961	1.8
67.01855	2.7
67.05180	2.0
67.05508	34.8
68.99784	3.4
69.03432	15.1
69.07069	59.1
69.36105	12.0
71.04993	2.0
71.08620	4.6
79.05492	17.6
81.07062	46.3
83.00889	1.8
83.01342	25.3
83.04970	7.3
83.08619	26.9
85.02920	2.7
85.06547	1.4
85.10168	3.1
89.06000	3.2
91.05496	11.3
93.07040	14.2
95.04959	5.8
95.08610	39.2
96.39966	1.4
97.02894	1.7
97.06543	19.0
97.10167	9.4
98.20794	3.0
98.21467	2.1
98.98447	4.8
99.04486	2.0
105.07027	10.3
107.04946	3.0
107.08602	13.2
109.06507	6.8
109.10162	15.4
111.04445	11.8
111.08076	4.9
111.11696	4.3
117.06997	1.8
119.08566	10.3
121.06513	4.1
121.10177	8.4
122.38291	1.3
123.04397	3.0
123.08054	5.8
123.11686	5.8
125.02342	22.7
125.05997	8.0
125.09618	4.4
129.06961	2.2
131.08559	2.9
133.06461	1.3
133.10117	10.2
135.08040	3.0
135.11687	7.5
137.05911	2.9
137.09601	5.4
137.13235	3.5
139.03911	2.8
139.07533	4.2
139.11200	1.5
140.04683	5.4
141.05458	28.6
141.85994	1.4
143.08611	2.8
145.10124	2.9
147.08017	3.0
147.11681	7.6
149.09630	2.8
149.13255	5.7
151.07581	2.3
151.11182	2.0
151.14850	2.0
153.01851	3.9
153.05467	39.2
153.09097	5.1
157.08606	2.6
159.11681	1.9
161.09642	4.1
161.13237	2.8
163.07550	2.2
163.11139	2.2
163.14813	2.0
165.09114	4.0
165.12703	1.9
167.07033	3.4
167.10620	2.2
171.10182	2.6
171.11699	3.5
173.13225	1.9
175.11232	2.7
175.14821	3.2
177.09122	2.0
177.12784	2.7
179.06912	1.7
181.08585	5.1
181.12184	2.4
185.11751	1.9
185.13254	2.3
189.16324	1.6
191.17931	2.2
193.08556	1.7
193.12238	2.0
195.10207	7.8
199.13342	1.8
203.10825	1.7
203.14366	2.0
203.17856	1.7
207.13713	1.5
209.11795	13.8
217.15752	1.8
217.19492	4.3
221.11624	2.5
223.13315	16.1
231.13791	1.8
235.13225	3.9
237.14828	17.1
249.14841	4.7
251.16415	19.8
259.17056	1.7
263.16489	8.5
265.17987	9.7
277.17984	11.1
277.21097	2.6
283.88428	1.3
287.23721	4.0
291.19537	4.9
315.23245	5.1
333.24228	100.0
334.24478	1.9
347.05106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.11949	1.0
56.09079	1.0
57.03428	1.3
61.02913	3.6
63.65005	1.0
69.03448	5.9
69.44025	1.5
69.44424	7.6
71.04974	1.6
73.02892	1.8
81.03409	3.6
81.07043	1.0
85.02419	1.7
85.02911	25.8
91.03960	1.3
91.05481	13.1
97.02901	5.9
98.21114	4.2
98.98454	2.4
99.04481	1.0
105.07011	1.4
109.02894	1.9
109.06505	1.7
115.57526	1.0
119.04960	7.9
121.49180	0.9
127.03905	4.8
133.40395	1.0
137.05989	100.0
145.04979	5.9
154.08603	1.4
155.07048	6.0
172.09764	2.1
179.07088	1.9
180.08698	3.9
221.98917	1.0
263.09161	2.1
289.19580	1.1
299.37616	1.0
334.14026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Nb-Desmethyl-meso-chimonanthine
Peak:m/z	Relative Intensity
53.03931	0.3
53.73902	0.2
55.05496	0.9
57.03433	0.3
57.07072	0.4
67.05497	1.5
69.07056	0.9
79.05495	1.3
81.07054	2.1
83.04965	0.3
83.08624	0.2
85.02928	0.3
91.05471	1.0
93.07035	1.1
95.04990	0.3
95.08596	1.5
97.06486	0.3
97.10163	0.3
98.21238	1.5
98.98453	2.4
101.96317	0.2
105.07018	0.9
107.04916	0.5
107.08610	1.1
109.06519	0.3
109.10151	0.8
116.34322	0.2
117.06985	0.3
119.08563	0.9
121.06487	0.3
121.10130	0.7
121.71036	0.2
123.04443	0.5
123.08099	0.4
123.11726	0.3
127.03889	0.3
131.08583	0.6
133.10121	0.9
135.11665	0.3
137.05899	0.2
139.03903	1.0
145.10110	0.3
147.04341	0.4
147.11700	0.4
149.09720	0.3
151.03867	0.4
151.78273	0.2
152.45175	0.2
153.01834	1.3
153.05461	1.1
155.07091	0.4
159.11705	0.3
161.05907	0.4
161.13289	0.2
162.10332	0.2
163.03874	1.1
164.04803	0.2
165.01840	0.8
165.05466	0.3
166.02629	0.5
167.03397	9.4
167.07043	0.3
171.11594	0.2
177.01906	0.6
177.05464	2.3
178.06259	0.3
181.04910	1.8
183.02841	0.4
185.04442	0.5
189.16415	0.2
191.03471	0.6
191.06990	0.4
193.04938	1.5
193.08705	0.3
195.02914	0.6
203.07008	0.3
205.04971	1.0
205.85417	0.3
206.05751	15.8
207.06207	0.4
219.06526	22.6
220.07297	4.3
221.08051	0.3
233.08051	3.5
247.09578	0.5
261.11185	1.0
275.12741	1.3
287.16284	0.3
289.14417	0.7
297.14761	0.4
303.15717	0.3
305.17404	0.4
315.15729	1.6
317.17392	0.8
318.18225	2.6
333.17435	4.0
333.20584	100.0
334.20847	2.0
344.46188	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	333.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.5
67.05479	0.4
69.07051	0.5
75.02489	0.2
79.05476	0.4
81.07034	0.5
89.06027	0.6
91.05470	0.5
95.08615	0.6
97.48078	0.2
98.21309	1.4
98.98447	0.8
99.44411	0.2
119.08570	0.5
144.93027	0.3
151.09642	0.4
159.11719	0.2
165.09067	0.5
165.75354	0.2
167.03418	0.4
175.07565	0.6
181.04961	4.1
189.16592	0.3
191.07060	0.2
192.07843	0.7
206.05785	0.3
207.06529	0.5
219.06490	0.6
220.07309	20.7
221.08080	2.7
233.08087	6.3
234.08783	0.5
247.09697	0.4
331.19113	0.4
333.20590	100.0
334.20911	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	5-Dehydrosinularolide
Peak:m/z	Relative Intensity
53.03944	0.9
53.88495	0.5
55.01861	2.1
55.05300	0.5
55.05515	6.1
57.03429	0.6
57.07067	0.7
58.13028	0.4
65.03923	0.5
67.01863	2.1
67.05509	19.7
68.99790	2.1
69.03434	2.2
69.07076	8.1
70.75775	0.7
70.76112	0.9
71.08629	0.6
79.05498	4.2
79.63946	0.5
81.03397	0.6
81.07064	16.6
83.01416	0.5
83.04995	1.1
83.08633	3.8
85.06557	1.1
91.05492	3.7
91.75048	0.4
93.07058	5.5
95.04954	1.1
95.08616	20.2
97.02883	1.3
97.06527	0.4
97.10157	1.3
98.21127	0.9
105.07034	1.6
107.08581	3.7
109.06512	0.6
109.10166	11.0
111.00815	1.8
111.04459	1.3
118.51248	0.5
119.04939	0.6
119.08578	2.4
121.10188	1.2
123.04448	2.1
123.11729	4.8
127.03935	3.4
133.10149	2.4
137.05995	2.0
137.09680	0.5
139.03912	29.8
145.04567	0.5
147.11714	1.1
149.06059	0.5
149.13274	0.7
151.03949	0.6
153.01842	100.0
153.05324	3.1
154.02199	0.9
155.03426	1.7
156.61098	0.6
161.13258	0.5
163.03873	3.6
163.14836	8.6
163.16109	0.9
163.34145	0.5
165.05490	8.5
165.16417	1.6
167.14342	0.5
169.05037	0.8
171.02971	0.6
177.05434	2.4
177.16441	0.5
181.04973	9.4
181.15880	1.0
189.05644	0.5
189.16389	5.6
191.07048	1.0
193.08630	5.8
195.06538	2.0
203.07059	1.6
205.08521	0.6
207.17557	2.2
209.08157	0.5
217.08574	0.6
221.11780	0.6
231.10242	0.6
235.13347	0.6
249.14893	1.4
315.19617	5.3
333.20627	12.5
357.29294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01869	10.4
55.05515	29.0
57.03442	40.7
57.07080	4.5
57.45789	2.5
65.03936	4.7
67.01871	2.9
67.05508	55.4
68.99789	19.1
69.03428	3.8
69.07071	19.6
69.62087	14.2
71.04995	9.4
72.04527	2.9
79.05494	41.9
79.71848	2.2
81.03431	6.3
81.07064	67.4
83.04977	12.7
83.08631	9.3
85.06552	9.3
86.01006	2.1
91.05487	33.7
93.07051	52.9
95.04972	11.6
95.08608	53.5
97.02897	2.9
97.06525	29.6
97.10180	6.4
98.20856	4.2
98.98459	13.0
99.04457	2.4
105.07034	34.5
107.04974	10.9
107.08602	34.5
109.06526	14.9
109.10160	23.9
111.00806	35.0
111.04446	15.0
111.08097	6.6
115.03876	2.4
117.07048	11.3
119.08586	30.8
121.06520	9.9
121.10143	15.9
123.04416	5.3
123.08084	16.0
123.11708	7.7
125.06010	5.6
125.09624	5.7
126.49323	2.3
127.03915	13.9
129.06998	4.9
131.08565	14.1
133.06474	5.3
133.10139	26.5
135.08067	10.6
135.11708	18.0
137.05995	5.3
137.09624	8.6
137.13248	3.3
139.03902	40.6
139.07541	4.3
139.11235	3.6
141.05458	17.0
143.08569	5.0
145.10123	10.5
147.08090	10.4
147.11696	18.3
149.05995	4.4
149.09621	5.4
149.13242	11.5
151.07574	3.1
151.11185	8.6
153.01860	3.2
153.05476	4.4
153.09102	3.2
155.06998	2.1
157.10060	5.1
159.08189	3.1
159.11707	13.2
161.05957	3.0
161.09645	4.1
161.13292	5.0
163.07539	3.4
163.11105	3.1
165.05489	8.4
165.09155	6.6
165.12746	7.7
167.03433	33.8
167.07069	8.1
169.10078	5.0
171.10330	3.0
171.11720	7.6
173.09709	4.0
173.13300	9.2
175.11186	5.4
175.13495	2.7
175.14774	12.5
177.05490	2.3
177.09082	5.3
177.12813	5.5
179.07089	3.7
179.10747	3.2
181.05107	4.7
181.08612	8.0
181.12254	4.7
183.11763	3.2
185.13240	4.0
187.14821	4.2
189.12793	3.3
189.16357	6.7
193.08638	2.8
193.12335	5.3
195.10199	9.6
197.13432	2.4
199.14812	3.5
203.10806	2.6
209.11786	8.5
213.16510	6.4
213.33844	3.0
217.15813	3.1
220.16800	2.8
221.11664	2.8
223.09726	2.6
223.13293	2.4
231.17432	4.2
235.13266	4.4
235.16794	4.3
237.11151	11.5
243.13882	3.9
249.14821	7.9
249.18483	7.2
255.17526	2.2
259.16956	8.1
259.20663	2.4
261.14944	7.9
273.18503	2.9
277.18005	100.0
298.11621	2.8
314.13983	2.2
315.19620	19.0
315.23245	5.5
333.16882	6.5
333.20670	21.2
333.24301	20.5
334.27542	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03940	2.9
55.01871	2.9
55.05508	3.6
57.03439	10.6
57.07079	15.3
59.05006	14.2
61.02933	10.1
65.03935	3.0
67.05500	9.4
69.03431	38.5
69.07066	13.9
70.68475	3.4
70.68809	2.9
71.04982	7.8
73.02905	3.9
79.05481	4.2
81.03423	14.3
81.07041	6.3
83.01322	2.5
83.04974	2.9
83.08617	6.5
85.02908	92.9
85.06556	14.1
87.04471	5.0
91.03965	3.9
91.05475	10.0
91.89128	1.8
93.03378	2.3
93.07058	11.1
95.04958	5.1
95.08612	58.3
97.02897	25.0
97.06538	9.5
98.21240	2.4
98.98464	13.1
99.04459	6.1
99.08099	19.8
105.07024	4.7
107.08603	12.1
107.72816	1.9
109.02863	10.2
109.06516	9.5
109.10153	24.4
109.15920	1.7
111.04438	1.7
111.08069	13.4
111.11746	1.9
113.09653	59.4
119.08564	3.3
121.10138	2.3
123.04424	2.1
123.11696	2.0
125.02335	2.0
127.03931	17.3
127.11199	48.2
129.06909	2.2
135.08054	2.3
135.11688	21.2
136.02124	1.9
137.06001	5.9
137.13219	3.5
142.02611	2.4
145.04962	22.6
147.04468	2.4
147.57637	1.9
151.03883	2.1
153.01799	10.5
153.05579	1.9
153.07106	1.8
153.12749	100.0
155.14339	6.5
167.07047	4.8
167.08536	2.1
168.00591	1.9
169.01323	19.9
169.12195	3.4
171.13834	51.7
177.12784	2.6
193.08598	1.8
195.13829	2.9
199.03862	1.8
201.09903	1.7
213.14903	3.4
225.10286	2.2
226.06229	2.1
226.11012	4.9
227.11719	5.6
228.10294	2.5
244.03726	2.5
245.04469	3.3
255.11362	2.6
261.03998	2.3
262.04688	1.9
270.09964	4.7
272.11551	5.8
273.04007	2.4
283.10858	2.9
289.03720	2.4
290.04285	3.3
297.16800	2.4
301.03342	3.4
301.11884	38.5
318.03763	18.7
333.02615	3.8
333.06058	81.9
333.10236	4.0
333.14270	11.2
333.18988	5.0
334.06625	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	333.2059
Annotation	Callicarpone
Peak:m/z	Relative Intensity
53.03947	0.5
53.28022	0.4
55.01865	1.3
55.05515	6.8
57.03425	0.9
57.07059	1.5
61.03314	0.4
65.03941	0.9
67.01891	0.4
67.05505	19.5
68.99795	7.9
69.03432	0.6
69.06717	0.5
69.07072	6.7
69.51045	3.0
71.04989	1.6
71.08614	0.8
74.46123	0.4
79.05495	7.7
81.03402	1.5
81.07062	21.2
83.04987	1.0
83.08627	3.2
85.02926	0.4
85.06532	1.6
87.00825	0.8
91.05483	8.9
93.07043	7.1
95.04979	0.9
95.08611	18.6
97.06522	1.4
97.10173	2.7
97.23703	0.4
98.20964	1.1
98.98453	2.2
99.04442	0.7
99.08095	0.8
105.07037	7.4
105.07683	0.9
107.04966	0.6
107.08599	6.7
109.02861	1.2
109.06513	1.2
109.10163	13.2
111.00811	15.0
111.04479	0.6
111.08090	0.9
113.09620	0.6
116.89471	0.4
117.07067	0.6
119.07767	0.7
119.08580	8.1
119.09353	0.8
121.06505	0.7
121.10163	3.6
123.04382	0.5
123.08085	1.3
123.11711	6.2
124.21078	0.4
125.06010	0.8
125.09645	0.7
127.03919	100.0
129.06960	0.4
131.08554	1.5
133.10141	10.8
135.08054	0.7
135.11658	2.4
137.09604	0.7
137.13278	0.9
139.03906	1.3
139.11139	0.6
143.08524	0.6
145.10176	1.0
145.51546	0.4
147.11674	4.5
149.06000	0.8
149.09628	0.9
149.13269	1.7
151.11241	0.8
151.14880	0.4
153.01843	2.3
153.05455	0.7
159.11726	0.7
161.09682	0.6
161.13304	2.0
163.03908	0.7
163.14857	1.8
165.05556	0.6
165.12767	0.5
165.16435	0.9
167.03447	0.5
169.05031	2.3
171.11620	0.7
175.11179	0.5
179.17940	0.8
181.05016	2.2
181.08578	0.5
185.13341	0.6
187.14900	0.7
189.16391	22.9
192.04176	2.7
193.08594	1.2
195.06604	0.6
205.04988	4.4
205.19572	1.2
206.05763	1.4
207.10173	0.6
207.17410	4.6
209.08118	0.6
213.16370	1.0
219.06657	1.3
219.10080	0.6
223.09647	0.7
231.17419	1.1
233.11766	0.8
237.11208	0.7
245.11656	0.6
245.18933	0.5
249.18536	1.2
251.12816	0.7
259.20541	0.6
273.18524	0.5
275.12759	0.5
291.19727	0.5
297.18481	1.0
315.19543	2.8
315.22797	0.6
333.20609	28.0
333.24176	2.2
353.13974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01875	5.6
55.05495	1.7
57.07056	0.7
63.59668	0.5
65.03935	0.6
67.01859	1.1
67.05176	0.7
67.05510	10.8
68.99792	1.9
69.03398	0.7
69.06715	0.9
69.07070	12.3
69.91133	1.8
71.04976	0.5
71.08629	1.1
72.32126	0.5
72.77148	0.5
79.05502	8.2
80.05841	0.5
81.03420	6.0
81.07056	5.5
83.04972	1.9
83.08625	0.7
85.02912	0.5
91.05490	6.8
93.07045	6.0
94.07368	0.9
95.04968	6.8
95.08610	3.0
97.05914	0.6
97.06541	10.8
98.21095	1.4
98.98463	5.8
104.52213	0.5
105.03400	0.6
105.07031	6.3
107.04961	1.2
107.08608	4.1
109.06507	1.7
109.10157	1.3
111.04435	1.6
113.06033	0.6
113.71704	0.5
117.06994	1.0
119.08575	3.0
121.10140	1.7
123.04436	8.6
123.08118	0.9
123.11665	0.7
124.01588	1.2
125.06011	0.8
125.09606	1.1
129.07013	1.1
131.08566	1.4
133.10130	2.3
134.47389	0.5
135.11693	0.7
137.05989	0.8
139.03893	1.8
141.05472	17.6
145.10176	0.6
147.08061	0.9
147.11702	8.1
149.09612	1.7
149.13258	5.1
149.35144	0.5
151.07541	1.3
151.11194	4.8
152.01035	1.8
153.01770	2.6
153.05469	6.5
157.10149	0.8
160.05219	0.6
161.05952	0.8
163.04033	0.5
163.07527	0.6
165.05385	0.5
165.12784	2.7
167.03410	100.0
168.03833	0.7
168.07457	0.7
170.02126	2.2
173.16670	0.5
175.07576	1.1
175.11247	3.9
176.98888	0.6
177.05521	0.9
177.09117	1.6
179.07086	1.5
181.04980	2.4
182.05316	1.6
183.05312	1.0
185.04503	0.8
191.07042	0.9
193.08594	0.6
193.12204	3.7
195.06624	0.9
203.07027	5.0
205.92188	0.5
207.10068	0.5
217.08560	1.7
219.06566	1.8
219.10088	1.2
221.08127	3.7
226.47835	0.5
242.35712	0.6
245.08124	0.7
263.09198	0.8
287.16306	0.5
306.54984	0.5
315.15851	3.2
315.19122	0.8
315.23184	0.5
333.16949	11.1
333.20370	1.4
333.23889	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	333.1695
Annotation	Asperfuranone
Peak:m/z	Relative Intensity
53.03934	1.8
55.01872	4.1
55.05504	1.1
67.01862	1.0
67.05506	8.0
68.99794	1.2
69.03424	0.7
69.07071	13.0
70.46549	0.9
70.46946	1.0
71.08623	1.0
78.34319	0.6
79.05490	6.3
81.03418	5.6
81.07049	2.7
83.04971	2.0
83.08577	0.6
91.05485	5.4
91.73293	0.4
93.07055	4.8
95.04977	4.5
95.08582	1.5
97.06535	8.6
98.21178	0.9
98.98451	1.1
105.07045	4.9
107.04946	0.8
107.08620	4.0
109.06509	1.3
110.60300	0.5
111.04447	1.2
117.07056	0.6
119.08571	3.6
121.75253	0.5
123.04433	8.7
123.08078	1.2
124.01566	2.0
125.06019	1.0
125.09601	1.1
129.06979	1.0
133.06467	1.1
133.10094	1.5
137.05972	0.8
139.03880	0.8
141.05472	15.8
145.06480	0.5
147.08101	0.7
147.11694	8.8
149.09628	0.9
149.13235	3.5
151.07542	1.4
151.11162	4.5
152.01088	2.9
152.02084	0.5
153.05469	5.7
165.12779	2.8
167.03409	100.0
168.03743	1.2
170.02161	2.5
175.07573	1.1
175.11197	5.1
177.05460	0.7
179.07083	1.4
181.04979	1.0
183.06613	1.2
185.06071	0.5
192.65077	0.5
193.12231	3.1
195.06528	0.6
203.07002	5.3
217.08672	1.6
219.06586	1.2
219.10190	1.7
221.08118	4.3
235.09726	0.6
237.11296	0.6
245.08119	0.7
315.15854	3.3
333.16965	12.9
333.20737	1.1
353.07809	0.7
359.85266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01864	2.3
55.05505	2.8
57.03430	2.2
59.51393	0.8
59.89759	0.8
61.02921	1.1
67.05499	3.1
69.03424	5.6
69.07069	2.9
70.69663	2.1
70.70014	1.3
71.04992	5.9
73.02889	0.8
79.05483	4.5
81.03428	4.8
81.07061	6.9
83.04948	1.0
83.08600	1.0
85.02409	1.6
85.02896	12.5
91.05504	6.4
93.07053	6.6
95.04967	3.1
95.08599	3.4
96.03158	0.9
96.17146	0.9
97.02890	4.7
97.06516	0.9
98.21056	1.3
98.98458	7.3
99.04455	2.0
105.07035	8.9
107.04966	2.7
107.08616	7.1
109.02846	5.2
109.06535	2.5
111.04513	1.2
111.08105	1.1
115.03963	1.3
117.07006	1.9
117.42188	1.0
119.04964	1.8
119.08584	5.5
121.02854	0.9
121.06509	3.6
121.10152	1.6
123.04421	2.8
123.08065	1.0
125.09642	1.6
125.13325	1.1
126.03197	1.1
127.03909	2.8
129.06993	1.4
131.08566	3.5
133.05002	1.3
133.06468	2.2
133.10121	2.6
135.04396	1.4
135.08081	1.0
135.11703	4.0
137.02361	1.7
137.05995	5.6
137.09619	1.3
139.03867	1.0
143.08559	3.0
145.10136	2.8
147.04366	2.1
147.08073	5.0
147.11671	1.9
149.09615	1.2
152.06114	1.2
153.01830	8.1
153.05473	1.7
153.06958	2.4
153.12700	2.8
157.06509	1.1
158.06035	1.0
159.08067	1.0
159.11725	1.0
161.09633	1.7
165.05515	0.9
165.06897	1.5
165.12733	4.1
165.33728	0.8
166.02614	1.2
167.03412	1.5
167.07060	6.0
168.00545	0.9
169.01314	1.6
170.07272	1.5
171.08032	2.1
171.11656	1.3
173.09637	4.2
173.13327	2.3
177.12805	1.8
181.06477	2.5
181.08578	3.5
183.08124	1.4
183.11629	1.0
189.11234	1.3
189.12810	2.3
193.08638	2.1
195.08066	1.8
197.05995	2.2
198.06779	2.1
205.04950	1.4
207.13919	1.1
208.03647	1.0
213.09122	1.7
216.04201	2.4
219.02898	4.0
219.13889	1.1
220.03792	1.3
226.06100	1.2
227.07076	1.4
231.13872	2.0
235.37459	1.0
241.08586	2.4
243.03262	1.1
243.06778	1.1
244.03603	5.1
245.04488	3.1
245.12062	1.1
259.06122	0.9
261.03979	3.2
261.14777	2.3
269.08136	1.0
272.03146	2.6
273.03979	1.7
273.11145	3.3
287.05527	1.2
288.09982	1.4
289.03433	2.1
290.04208	3.0
297.16992	1.3
300.02692	1.4
301.03418	7.4
301.10645	5.9
315.13052	3.4
315.18002	1.1
317.02902	6.6
318.03723	37.4
318.11145	1.6
319.04034	2.1
333.06049	100.0
333.13321	6.3
334.06387	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	333.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01868	1.4
55.05510	8.3
56.65792	0.8
57.03434	2.4
57.07069	2.1
58.99576	2.6
59.05021	1.7
60.32849	0.7
60.36676	0.8
65.03942	1.4
67.05504	4.3
69.03079	1.3
69.03433	25.8
69.07055	2.2
69.62758	1.3
69.63174	4.1
71.04996	100.0
72.05332	1.0
73.06561	7.2
77.42692	0.7
79.05486	3.6
81.03419	9.9
81.07052	2.7
81.93790	0.8
83.04984	19.4
85.02911	9.3
85.06543	3.2
86.99055	2.4
87.02680	0.9
87.04459	1.7
89.06030	10.8
91.05481	6.3
93.07031	3.1
95.04965	2.9
95.08592	1.2
97.01130	1.1
97.02896	11.4
97.06530	0.9
98.21302	2.8
98.98504	5.5
99.04461	7.5
99.51909	0.9
101.05997	2.4
105.00120	4.4
105.07035	6.1
107.04958	1.5
107.08566	1.5
109.02888	4.7
109.06485	1.8
110.76201	0.7
111.04426	2.9
113.02364	1.8
113.06017	1.8
115.03914	1.3
115.07575	1.2
117.05500	64.5
119.04929	2.1
119.08582	2.5
121.06495	4.4
121.10153	0.9
123.04439	2.0
125.02293	1.3
125.06033	1.6
127.03925	8.0
129.05486	3.3
129.06982	1.0
131.07051	3.1
133.06548	1.6
133.10158	4.7
136.22121	0.8
137.05931	1.8
139.07526	1.1
143.03409	2.5
144.51881	0.9
145.04935	1.9
147.04454	1.4
147.11696	2.6
149.05992	1.1
151.07596	0.8
153.01796	2.2
153.05473	2.7
153.07152	1.3
161.06017	1.1
165.07057	1.9
167.07076	4.8
169.06541	1.1
173.04491	2.0
175.11176	2.1
179.07045	1.3
181.06519	3.1
181.08623	5.7
185.08138	2.0
192.01918	0.8
193.01463	1.0
193.08578	2.0
193.12286	1.6
195.08099	1.5
197.06097	1.9
197.08127	2.4
198.06805	1.6
199.09645	1.1
209.06052	1.1
211.07582	1.0
211.88206	0.8
213.09114	3.5
215.09120	2.2
226.06288	1.0
227.03798	1.3
227.09094	1.5
231.08643	1.5
241.08583	3.0
245.11913	1.2
261.09637	2.2
269.08105	2.2
271.05963	1.0
273.11249	3.2
301.10632	7.0
302.11615	1.2
315.14435	5.3
318.10876	1.7
333.02368	1.2
333.13239	14.1
359.14612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01880	1.5
55.05518	9.2
57.03436	2.9
58.98149	0.9
58.99585	3.5
61.01138	0.8
65.03970	1.1
67.05511	9.4
69.03432	23.1
69.07065	3.8
69.51891	2.9
69.52306	4.3
71.04996	100.0
73.06554	6.4
73.40978	0.8
79.05506	7.8
81.03424	9.6
81.07056	6.5
83.04973	13.9
83.08621	3.2
85.02900	8.0
85.06544	5.2
86.99065	6.7
87.02694	1.7
89.05997	1.3
91.05484	15.2
93.03402	1.1
93.07053	5.0
95.04978	5.2
95.08612	2.2
97.02892	8.6
97.06509	1.2
98.21257	3.6
98.46129	1.1
98.97548	1.3
98.98477	9.6
99.04462	5.1
101.06048	2.0
103.05480	1.7
105.00090	8.7
105.07043	13.1
107.04971	3.1
107.08611	2.2
109.02872	4.4
109.06531	2.1
111.04449	3.6
113.06010	3.1
117.05496	20.5
117.06904	0.9
119.04909	1.5
119.08582	7.4
121.06535	5.3
121.10149	1.2
123.04452	2.8
123.08119	1.2
125.02343	1.0
125.06012	2.0
126.09155	2.0
127.03924	9.5
129.05457	3.5
129.07037	1.3
131.07033	1.7
131.08582	2.7
132.99556	1.9
133.06512	2.6
133.10144	12.7
137.05965	3.2
145.04994	1.1
147.04382	1.1
147.11682	10.6
151.07565	2.0
152.06229	1.5
153.01869	2.9
153.05486	2.8
153.06963	2.3
154.08704	2.7
155.07053	1.7
157.10149	1.3
161.05878	1.1
165.05557	1.1
165.07008	2.2
167.07045	3.4
167.08543	1.0
172.09740	4.1
173.04472	2.6
175.11217	6.3
176.98900	1.1
177.05643	1.2
179.07062	1.1
181.05014	1.5
181.06528	2.5
181.08615	4.3
193.08609	1.9
193.12271	4.4
195.08096	1.8
197.05869	1.0
198.06772	1.6
209.05937	1.4
210.06850	1.1
211.13289	3.8
213.09123	3.1
223.07645	1.4
226.06293	1.1
227.07040	1.3
241.08661	3.0
243.06468	1.6
269.08081	2.1
273.11252	4.0
275.08932	1.0
301.10721	9.1
315.14313	3.0
318.11142	1.8
333.02505	2.3
333.13489	29.0
333.23386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
54.36880	1.5
55.01860	4.3
55.05510	16.4
57.03426	4.7
57.07069	3.4
58.99327	2.2
58.99588	27.1
61.01164	3.0
65.03925	3.4
67.05173	2.4
67.05505	25.8
68.99777	1.9
69.03432	12.0
69.07070	12.0
69.76295	1.4
69.99259	5.3
69.99677	3.1
71.04993	69.9
73.02859	1.9
73.06535	6.4
77.00623	2.2
79.05127	1.8
79.05497	22.5
79.64222	1.5
81.03425	13.0
81.07061	15.9
82.78030	1.4
83.04981	26.1
83.08627	2.1
85.02888	5.2
85.06528	6.7
86.99053	26.3
87.02669	5.1
89.00618	4.2
89.06016	2.5
91.04958	2.5
91.05484	30.1
93.03400	2.0
93.07048	13.9
95.04979	16.5
95.08601	4.2
97.01115	4.7
97.02881	2.9
97.06515	6.3
98.20776	1.8
98.21313	3.2
98.98470	20.5
99.02681	3.2
99.04454	4.3
99.08082	2.4
101.06010	4.7
103.05478	1.8
105.00092	37.6
105.07033	32.6
107.04926	5.7
107.08586	5.0
109.01101	2.0
109.02859	5.2
109.06535	4.3
111.02670	2.6
111.04427	15.1
111.08067	2.2
113.06016	16.5
115.05462	1.6
117.05495	11.1
117.07036	2.3
119.04906	1.9
119.08574	16.5
121.06470	4.8
121.10084	1.8
123.02635	2.4
123.04420	11.0
125.04211	1.5
125.05999	3.0
127.03918	2.9
129.05499	11.7
129.06995	4.6
131.07010	4.1
131.08571	6.5
132.99559	7.3
133.06522	2.9
133.10136	42.2
135.02621	1.7
135.08046	2.8
137.06006	5.9
139.07700	1.5
141.05437	2.9
147.08110	1.7
147.11688	26.7
151.02138	1.6
151.07600	3.6
153.01852	3.7
153.03680	2.4
157.10252	2.1
163.03883	2.2
164.42731	1.6
165.01761	2.5
165.12802	2.2
167.03435	5.9
167.07040	5.6
171.06509	7.6
175.11182	13.0
177.05792	2.0
177.09106	6.5
181.03094	2.0
181.08644	2.7
185.02705	3.9
187.04126	1.6
193.01328	5.8
193.08586	2.1
193.12238	12.6
197.05936	1.6
199.04204	4.2
211.13374	4.0
213.10432	1.7
215.03764	2.4
227.03722	5.1
245.04723	2.2
263.45377	1.6
269.12585	2.0
301.10779	4.1
305.02896	3.7
312.62552	1.5
315.13263	6.8
330.03494	1.7
333.02490	10.9
333.13681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05508	1.0
65.03938	1.0
66.91177	0.5
67.05492	0.9
68.99784	1.3
69.03423	1.3
69.07066	0.8
70.65449	0.5
71.04988	1.0
72.65070	0.5
79.01861	0.6
79.05490	1.6
81.03420	2.5
81.07060	1.7
83.05000	1.1
85.02899	2.1
85.06539	0.7
91.05465	3.3
93.07040	1.7
95.04985	0.7
95.08607	1.5
97.02910	1.3
97.06517	0.5
98.20706	1.2
98.21387	2.0
98.51376	0.6
98.98459	7.1
99.04478	0.8
105.07026	1.6
107.04952	1.1
107.08595	0.9
108.02094	1.0
109.02901	3.8
109.06506	0.8
109.10208	0.5
111.00813	1.8
111.04454	0.9
119.04919	0.8
119.08606	1.3
121.02856	0.6
121.06522	3.3
123.04441	1.2
125.02373	0.8
125.06020	1.0
125.09640	0.5
127.03927	2.7
133.06500	1.5
133.10179	0.5
135.08083	0.5
137.02342	2.0
137.05998	5.7
138.03088	0.7
139.03902	3.9
143.03439	0.8
147.04437	1.0
149.05984	0.8
149.77747	0.5
151.07703	0.6
152.06139	0.8
153.01831	28.7
153.05453	1.9
153.06989	1.2
153.12785	1.1
155.08583	0.7
159.08061	0.6
161.05974	1.0
161.09630	1.1
165.01842	4.0
165.07014	1.1
166.02605	0.8
167.03458	3.1
167.07060	6.5
169.06473	0.6
170.07260	0.9
171.02875	2.3
171.04343	0.8
176.98996	0.6
179.03401	1.3
179.07069	0.8
180.05673	0.5
181.06439	2.3
181.08636	3.4
183.02835	1.2
183.04314	0.5
183.08098	0.8
189.05455	1.1
193.04977	1.7
193.08609	1.3
195.08092	0.9
197.06055	0.9
198.06795	1.6
199.07458	0.7
200.04646	0.5
205.04927	1.3
206.05721	1.8
208.03642	1.8
211.07588	0.8
213.09132	1.6
215.06958	0.7
216.04303	1.4
217.04976	5.7
219.02905	8.7
225.05499	0.7
226.06277	1.1
227.06976	0.7
233.04497	3.9
234.05035	0.6
241.04980	0.7
241.08699	1.4
243.02921	1.4
244.03651	3.4
245.04478	6.5
245.11636	0.6
247.02391	0.9
259.06030	1.4
261.04004	2.7
269.08362	0.8
272.03214	1.2
273.03918	6.0
273.11148	2.6
277.07281	0.8
287.05295	2.3
289.03455	3.7
290.04272	2.9
296.73706	0.5
297.06082	0.8
300.02618	0.5
301.03387	10.3
301.10693	5.0
302.11481	0.8
304.05859	0.9
315.13034	0.8
317.02927	0.7
318.03720	18.3
318.10974	1.1
333.06046	100.0
333.12988	4.2
334.06326	2.3
338.27356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1335
Annotation	2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone
Peak:m/z	Relative Intensity
53.03938	3.9
55.01856	3.8
55.05491	5.9
57.03458	1.3
65.03931	8.3
67.05497	2.4
67.51159	1.2
68.99792	6.9
69.03433	9.0
69.66695	7.4
71.04991	1.8
78.04727	1.6
79.01831	2.2
79.05481	9.2
81.03413	7.4
81.07058	2.4
83.04946	2.5
83.06100	1.6
83.08604	7.2
84.04507	1.9
85.02882	1.5
87.04453	5.4
91.05484	21.4
93.03419	2.5
93.07043	4.5
95.04959	5.3
96.04497	1.5
97.02903	2.2
97.88264	1.2
98.20914	3.9
98.21506	1.6
98.98475	16.7
99.04453	4.0
103.05439	6.1
105.03419	2.5
105.04506	1.1
105.07027	14.9
107.04972	12.0
107.08571	2.1
109.02890	7.6
109.06523	2.3
110.09673	2.0
111.04425	9.7
113.06005	1.2
115.03903	2.0
115.05442	3.9
117.07018	1.6
119.04935	9.9
120.05730	3.5
121.02857	20.1
121.03890	2.6
121.06516	28.0
122.03639	1.9
123.00768	1.5
123.04446	7.8
124.01571	1.8
124.05219	2.3
125.02314	1.7
125.05975	2.1
127.03925	2.8
128.06177	2.0
129.06607	2.3
131.04893	3.6
133.02859	3.1
133.06485	10.8
135.04407	2.3
135.08058	2.8
137.02348	2.4
137.04192	1.3
137.05969	21.8
138.03139	1.8
138.06764	1.4
138.09123	2.6
139.00272	5.9
139.03879	3.6
141.05452	1.3
141.07014	5.6
142.07756	1.5
143.04904	2.1
145.06485	3.0
147.04407	6.3
147.08054	1.3
149.02353	3.1
149.05984	4.2
151.03876	3.5
151.07558	3.9
152.01036	2.2
152.04636	1.6
152.06209	10.5
153.01852	8.2
153.05461	19.4
153.06955	12.3
155.04898	2.6
155.08539	2.8
157.06497	4.0
159.04320	1.5
159.06427	1.5
159.08009	1.8
161.02370	1.8
161.05969	8.6
163.03914	2.5
165.01869	22.8
165.05624	2.1
165.07004	11.6
166.07674	2.6
167.03409	100.0
167.07059	36.7
167.08525	4.8
168.05750	3.3
169.06487	8.5
170.02094	2.4
170.07294	7.4
171.08105	2.8
173.05992	2.3
174.11197	1.8
176.06116	1.5
176.98874	1.9
177.05496	2.6
177.07008	4.9
179.03458	8.8
179.06964	6.8
180.05695	4.7
181.05022	1.0
181.06480	28.9
181.08582	41.3
182.07300	6.4
183.04402	2.3
183.08032	7.6
185.04550	2.1
185.06042	1.5
185.09616	5.5
186.03174	1.7
187.07440	2.1
189.01822	3.0
193.01335	91.7
193.06700	2.1
193.08611	16.7
195.08066	10.1
196.05197	2.3
197.05901	11.5
198.06776	19.6
199.07527	4.9
203.03474	2.0
205.08743	2.9
206.09392	3.0
207.02852	4.7
208.05167	4.1
209.05968	7.3
210.06647	2.1
211.07437	7.1
212.04691	2.0
212.08203	4.6
213.05389	1.8
213.09070	22.9
215.07022	7.0
217.04825	1.4
223.03960	2.1
223.07498	3.5
225.05411	5.7
226.06261	10.2
227.07016	8.3
227.10614	2.7
228.04135	2.4
229.08551	3.0
231.02925	3.9
235.02394	5.0
237.05377	4.9
238.06184	1.6
239.06894	3.6
240.07687	2.7
241.08528	19.0
242.05524	2.0
242.09471	2.8
243.06465	8.5
245.04486	7.2
245.11742	4.4
251.07088	2.7
253.04678	1.5
255.06502	2.2
255.10188	4.2
257.08038	3.5
258.08789	3.8
259.02350	2.1
269.08060	11.7
271.06000	7.6
272.10202	2.2
273.08624	0.9
273.11224	26.1
275.09167	5.1
283.09622	3.5
285.07584	2.5
286.08420	7.0
287.05478	3.4
287.09433	1.9
288.09900	2.8
301.10699	63.5
302.11612	11.7
303.08380	2.5
305.02930	12.7
315.09247	1.9
315.12494	2.6
315.19171	1.8
318.10956	13.1
333.02328	43.5
333.06061	26.0
333.13257	35.3
333.18967	1.4
336.94678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0604
Annotation	Crombenin
Peak:m/z	Relative Intensity
53.03944	0.9
55.01871	1.2
55.05509	0.7
58.57726	0.3
65.03938	5.8
67.00006	0.4
67.01864	1.0
67.05500	0.6
68.99789	4.5
69.03420	1.1
69.73915	0.9
69.74326	1.8
71.04996	0.7
72.08143	0.8
79.01847	1.3
79.05480	1.0
81.03411	3.4
81.07052	0.4
83.04977	1.3
84.04501	1.4
85.02893	1.0
86.09720	0.6
91.05490	1.8
93.03411	1.4
93.07036	0.8
95.01262	0.5
95.08588	0.6
97.02895	1.0
98.20795	0.5
98.21356	0.8
98.98480	4.0
99.04431	0.8
103.05463	0.9
105.07030	1.3
107.04951	2.4
109.02882	5.2
110.09691	1.9
110.32024	0.4
111.04451	5.1
119.01299	1.7
119.04905	0.7
119.08616	0.5
121.02869	21.1
121.03936	1.8
121.06488	1.1
123.04435	0.8
124.01557	2.3
125.02387	0.7
127.03932	0.7
131.04935	0.4
133.02843	0.9
133.10204	0.4
135.08063	0.8
137.02354	1.1
137.05968	1.4
138.09189	2.4
138.10036	0.5
139.00327	1.9
139.03894	1.3
144.45911	0.4
145.06451	0.6
147.00745	0.8
147.04430	1.2
149.02332	2.1
149.05917	0.4
151.03911	1.1
152.01028	2.3
153.01859	3.6
153.05463	1.2
153.06847	0.6
156.10194	1.4
158.03635	0.7
161.02350	0.6
161.05997	0.5
163.03897	0.8
163.07558	1.4
165.01840	24.9
165.06970	0.6
167.03401	100.0
167.07030	2.9
168.03706	0.8
170.02095	3.2
170.07249	0.5
172.05064	0.4
174.11308	2.9
175.03973	0.4
176.98949	0.7
179.03412	3.6
179.07048	0.6
181.04994	0.4
181.06491	1.3
181.08580	1.6
184.17488	0.4
185.04475	2.0
186.03101	0.7
187.03900	0.9
189.01831	1.3
193.01329	92.4
193.08549	1.1
193.41887	0.4
194.01598	0.8
195.08075	0.7
197.05948	0.6
198.06679	0.6
200.04556	0.6
201.05458	0.8
203.03398	0.8
207.02843	0.9
211.09540	0.5
215.06985	0.5
217.01373	0.7
217.04926	1.3
218.05565	0.4
231.02815	1.3
235.02390	1.8
241.08525	0.6
243.06444	0.5
245.04443	6.3
246.04974	0.5
259.02237	0.6
263.01804	0.7
269.08234	0.6
273.11081	1.1
287.02423	0.6
287.05533	4.2
287.10251	0.4
297.18124	1.8
301.10779	2.2
305.02908	6.0
315.19037	0.8
333.02283	18.9
333.05994	26.2
333.10248	1.0
333.13126	1.5
333.20059	2.0
334.06357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0604
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
55.01859	0.2
58.90173	0.2
59.81188	0.2
65.03917	0.3
66.51528	0.2
68.99791	0.4
69.03418	0.3
69.86723	0.8
80.03735	0.2
81.03436	0.9
87.09167	0.2
91.05452	0.2
97.02898	0.2
98.20943	0.6
98.91574	0.2
98.98473	1.0
99.04422	0.2
105.07018	0.2
107.04901	0.2
108.02099	1.6
109.02885	4.1
110.06229	0.2
111.00790	0.7
121.02851	0.3
121.06461	0.2
123.04360	0.3
126.03141	0.6
127.03918	0.5
131.04953	0.2
136.01566	0.2
137.02373	1.6
137.05975	0.6
138.03113	0.4
139.03874	0.4
139.81828	0.2
144.63666	0.2
152.01054	0.4
153.01831	13.2
161.05969	0.3
163.03920	0.2
165.01807	0.8
166.02612	0.5
167.03442	0.9
167.07010	0.5
170.02069	0.3
178.02531	0.3
179.03384	0.8
189.05510	0.3
191.03436	0.3
192.04086	0.5
193.04959	0.5
194.02238	0.2
202.40944	0.2
203.03403	0.6
204.04129	0.5
205.04945	2.1
206.05748	3.2
208.03683	3.6
209.20244	0.2
210.01770	0.2
210.55470	0.2
212.04529	0.2
215.03433	0.2
216.04216	1.5
217.04967	1.7
219.02890	18.2
220.03619	0.8
229.05028	0.3
231.02919	0.2
232.03685	0.7
233.04451	8.4
234.01692	0.4
234.05188	2.4
243.02858	2.9
244.03671	4.7
245.04443	3.5
247.02385	1.6
249.03783	0.2
255.02922	0.3
257.04434	0.2
259.06036	0.4
261.03983	4.1
262.04791	1.0
272.03186	0.7
273.03952	2.2
277.07059	0.2
287.05511	0.3
289.03439	5.4
290.04236	5.6
300.02625	0.8
301.03430	6.2
304.05930	0.3
317.03012	0.5
318.03708	57.2
319.04050	0.9
333.06046	100.0
334.06345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0605
Annotation	Quercetagetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01867	0.2
55.11792	0.2
57.45711	0.2
65.03931	0.3
65.58906	0.2
68.99775	0.6
69.03407	0.3
69.67342	1.4
80.98182	0.2
81.03393	0.9
85.25416	0.2
90.84790	0.2
91.05463	0.4
95.04967	0.3
98.20736	0.4
98.21333	0.5
98.98441	1.0
105.07004	0.6
107.08630	0.3
108.02129	1.2
109.02888	3.9
111.00788	0.7
111.04466	0.4
121.02841	0.6
121.06516	0.4
123.04418	0.4
126.03126	0.3
127.03892	0.6
133.10095	0.4
137.02345	1.4
137.05978	0.5
138.03088	0.3
139.03897	0.6
147.04405	0.4
151.03903	0.4
152.01114	0.4
153.01828	11.6
160.05148	0.3
161.05963	0.3
163.03888	0.2
165.01834	1.1
166.02621	1.0
167.03374	0.8
167.07014	1.1
177.05455	0.4
179.03383	0.8
188.04694	0.4
189.05502	0.4
191.03404	0.7
192.04224	0.4
193.04900	0.4
194.01947	0.3
198.06665	0.3
203.03320	0.5
205.04961	1.9
206.05759	2.7
208.03668	4.0
210.01628	0.3
216.04182	1.2
217.04985	2.3
218.02032	0.6
219.02893	16.8
220.03539	0.5
229.05061	0.4
231.02991	0.3
232.03723	0.8
233.04451	7.5
234.01674	0.4
234.05209	2.3
243.02879	2.5
244.03667	4.6
245.04422	3.5
247.02354	1.3
249.03731	0.2
261.03967	4.3
262.04678	1.4
272.03198	0.8
273.03909	2.4
277.07208	0.3
287.05450	0.4
289.03409	4.9
290.04202	5.7
300.02567	0.9
301.03442	7.7
301.10641	0.3
304.05734	0.3
315.05237	0.3
317.02869	0.4
318.03708	54.7
319.04059	0.6
333.06049	100.0
334.06293	1.8
351.94757	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	333.0604
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
53.03960	0.3
54.00706	0.3
67.01853	0.4
68.43079	0.3
68.99800	0.6
69.03404	0.9
69.87692	1.7
81.03441	1.5
81.03831	0.3
81.07056	0.4
83.04978	0.4
85.02893	0.5
91.05463	0.9
93.06989	0.5
95.08588	0.8
97.02846	0.5
98.21109	1.0
98.98483	2.4
105.07024	1.3
107.08540	0.4
108.02104	1.7
109.02902	4.6
109.10146	0.4
111.00764	0.5
119.08552	0.6
121.02865	0.5
121.06483	0.5
123.04472	0.4
123.08099	0.4
125.02349	0.3
126.03165	0.5
127.03893	1.0
131.89600	0.4
133.10091	0.4
137.02328	1.0
137.05960	0.7
138.03127	0.5
147.11664	0.4
151.07664	0.4
153.01836	12.0
153.05484	0.5
161.09589	0.9
165.01828	1.1
166.02621	0.9
167.03412	0.9
167.07079	1.2
169.71344	0.3
177.05496	0.6
179.03386	0.9
189.09158	0.4
189.67879	0.3
191.03343	0.4
204.04134	0.4
205.04956	2.5
206.05743	2.7
207.02734	0.3
208.03696	3.8
210.01678	0.4
216.04158	1.0
217.04904	1.8
218.02058	0.4
219.02904	17.5
220.03624	0.6
232.03683	0.9
233.04463	8.1
234.01660	0.5
234.05209	2.5
243.02885	2.6
244.03680	4.6
245.04498	3.1
247.02528	1.5
261.03949	4.5
262.04691	0.9
273.04004	1.9
277.07233	0.4
287.05374	0.8
289.03442	5.0
290.04166	6.3
300.02631	0.4
301.03464	8.0
313.71866	0.3
318.03714	56.3
319.04169	1.1
333.06052	100.0
334.06396	1.3
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
55.05508	13.2
57.03431	5.0
57.07080	83.6
67.05508	29.6
69.07063	18.7
69.99307	5.2
69.99709	5.9
70.06596	11.7
71.06955	2.1
71.08634	57.9
75.04478	3.6
75.68980	1.7
79.05489	6.1
81.07056	38.4
82.90223	1.9
83.08620	21.9
85.10184	30.8
87.69720	1.6
88.07632	16.9
89.07957	4.4
91.05464	6.4
93.07027	5.8
95.04983	2.4
95.08614	51.2
97.10154	8.5
98.20866	2.2
98.98470	99.5
99.11725	2.8
100.98918	3.7
102.09142	2.8
103.09465	2.3
105.07036	6.0
106.08667	5.9
107.08572	2.9
109.10146	23.0
111.11717	2.7
116.99581	2.0
117.06999	2.5
119.08593	4.6
121.10153	3.4
123.11721	11.1
126.40446	2.0
131.08537	3.6
133.10124	4.1
137.13248	5.3
145.10146	4.1
147.08238	2.3
147.11636	2.0
153.01851	11.0
157.10178	2.3
161.13351	2.3
173.13239	1.9
174.99225	3.4
176.98914	8.0
179.03438	2.5
181.04962	6.0
185.13237	1.9
191.07054	6.7
239.23621	12.5
257.24771	6.4
303.19443	2.1
313.21771	4.0
313.27408	48.3
313.32950	6.6
331.18945	13.4
331.22583	4.8
331.26294	3.6
331.33994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.76426	0.5
57.03427	1.6
59.45437	0.5
61.02912	1.9
63.77734	0.5
65.03940	1.4
67.05509	2.6
67.80218	0.5
69.03433	6.7
69.94405	1.5
69.94803	1.0
71.04979	0.7
71.27104	0.5
73.02893	1.3
79.05484	1.1
81.03418	1.9
81.07079	0.8
85.02910	7.9
87.04462	1.9
93.05809	0.8
96.08124	0.9
97.02890	4.2
98.20914	0.9
98.21439	0.7
99.04485	1.0
106.06541	5.2
108.08119	100.0
109.02897	1.2
109.08447	0.9
110.05997	0.5
119.12212	0.6
123.06798	4.2
124.07594	16.5
125.02413	0.8
127.03921	2.2
134.06020	10.8
136.07581	13.3
152.07071	66.2
153.01845	1.0
153.07364	0.7
154.08647	2.1
161.05579	1.8
165.76756	0.5
170.08124	7.1
172.54378	0.5
219.07195	0.8
285.43250	0.5
314.12332	40.4
315.12967	0.5
321.10419	1.9
332.13412	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	333.0604
Annotation	Laricitrin
Peak:m/z	Relative Intensity
52.83911	0.2
55.01855	0.4
55.05506	0.3
59.67345	0.2
60.04470	0.2
65.03934	0.7
67.05491	0.6
68.99775	1.6
69.03421	0.5
69.07047	0.3
71.04994	0.4
71.56503	0.3
79.05489	0.3
79.82440	0.2
81.03420	1.0
81.07069	0.4
85.02894	0.7
91.05463	0.7
93.03438	0.3
93.07031	0.4
95.04961	0.5
97.02901	0.4
97.10152	0.3
98.98464	2.1
105.07024	0.6
107.04950	0.6
108.02094	0.4
109.02886	2.8
111.00803	1.7
111.04424	0.5
115.05461	0.4
117.07028	0.2
119.04870	0.3
119.08570	0.4
121.02911	0.4
121.06498	0.9
123.04420	0.8
125.06013	0.4
125.09665	0.3
126.03152	0.3
127.03905	0.6
129.07002	0.3
131.08572	0.3
133.06483	0.3
133.10109	0.3
135.08116	0.2
136.81862	0.2
137.02336	2.1
137.05989	2.4
138.03198	0.5
139.03911	3.6
140.04686	0.3
145.06564	0.3
147.04396	0.8
147.08046	0.2
149.05971	0.2
151.03868	0.4
152.01125	0.3
152.06261	0.3
153.01834	15.8
153.05418	0.4
157.06442	0.2
161.02275	0.2
161.05977	0.7
161.09619	0.2
163.03922	0.4
165.01849	3.2
165.05579	0.3
166.02589	1.0
167.03415	2.6
167.07051	2.7
169.06383	0.2
171.02936	0.4
176.98961	0.2
177.05473	0.3
178.02652	0.2
179.03448	1.2
179.07263	0.2
180.04182	0.2
181.06404	0.4
181.08600	0.5
183.02852	1.0
183.96236	0.2
185.05992	0.3
188.04688	0.3
189.05484	1.1
193.04962	1.0
195.08011	0.3
198.06860	0.4
199.03893	0.6
201.05559	0.3
203.03436	0.4
203.07016	0.3
205.04962	1.3
206.05734	1.3
207.02896	0.4
208.03639	1.7
210.01559	0.5
213.09056	0.4
216.04207	1.2
217.04970	5.2
219.02898	8.8
220.03467	0.4
221.04434	0.3
227.03529	0.3
229.04933	0.5
231.02823	0.3
231.06401	0.3
233.02370	0.4
233.04475	3.9
234.01636	0.4
234.05252	0.9
241.04971	1.0
241.08546	0.3
243.02864	1.9
244.03693	3.1
245.04453	6.9
247.02425	0.7
255.02937	0.8
259.06003	1.2
261.03946	2.3
262.04724	0.5
272.03159	0.9
273.03906	5.4
273.06622	0.3
273.11118	0.5
277.06992	1.3
287.05499	2.3
288.10190	0.5
289.03467	4.4
290.04251	2.7
300.02637	0.8
301.03415	9.3
301.10605	1.1
302.04010	0.3
304.05966	1.1
315.04941	0.4
318.03720	17.4
319.04050	0.5
333.06039	100.0
334.06369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	Cannabielsoin
Peak:m/z	Relative Intensity
51.50161	1.6
53.03946	1.9
55.01882	4.0
55.05515	13.7
57.03425	1.8
57.07079	12.9
65.03916	3.3
67.05511	87.1
68.99789	2.0
69.03437	8.5
69.03745	2.0
69.07069	12.3
70.25385	5.6
71.05019	1.7
71.08620	7.5
79.05505	27.4
81.07066	100.0
83.01356	14.4
83.04977	5.8
83.08647	7.7
85.02890	1.9
85.10180	3.8
88.48962	1.8
91.05480	7.9
93.07055	24.8
95.04946	4.7
95.08616	89.0
97.06550	9.2
97.10159	4.5
98.21282	3.0
98.98473	19.7
99.04488	1.6
105.07035	7.0
107.04921	2.1
107.08595	13.8
109.06517	4.3
109.09454	3.3
109.10170	49.7
111.04433	7.8
117.06977	3.1
119.08588	7.2
121.06519	2.3
121.10159	12.1
123.08081	4.5
123.11717	18.6
125.02338	14.2
125.05993	5.5
131.08565	6.3
132.78960	1.7
133.10126	6.2
135.08011	2.7
135.11693	12.7
137.05949	2.5
137.09659	2.5
137.13261	9.1
137.14117	1.9
139.07562	1.8
140.04695	4.3
141.05476	15.2
145.10133	6.4
147.08035	3.7
147.11690	5.0
149.09665	2.6
149.13278	6.1
151.07576	3.2
153.05489	24.8
153.09096	2.4
157.10005	1.9
159.08064	1.8
159.11711	4.3
161.09763	3.7
163.07567	7.3
165.09125	3.2
167.07022	2.1
169.10179	2.6
173.13263	3.8
177.09128	3.7
177.12746	3.0
179.07031	3.2
179.10649	2.3
181.08597	2.9
187.11116	3.1
187.14783	2.9
189.12759	2.8
189.16406	2.2
191.14299	2.8
191.18010	4.9
193.08484	3.5
195.10231	7.6
201.12714	2.8
201.16446	1.8
203.14301	1.6
207.10158	3.1
209.11755	9.5
213.89154	1.6
215.14195	2.8
215.17967	6.2
223.13304	20.5
229.12491	2.2
229.15906	4.5
235.13307	4.0
237.14900	19.4
239.23575	2.4
243.13858	3.8
244.67294	1.6
249.14923	6.7
251.16389	7.4
257.15265	3.4
257.19156	2.4
261.14862	4.0
265.18018	5.7
267.20966	2.0
275.16501	7.6
285.22098	4.4
289.17883	3.4
313.21671	7.1
313.27393	4.5
331.22687	91.0
331.34009	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69141	2.1
53.35034	1.9
55.05502	13.7
57.03426	8.1
57.07077	100.0
58.07406	2.9
65.03963	2.8
67.05170	2.7
67.05508	35.9
67.75529	1.9
69.07073	16.0
69.97204	10.7
70.06607	11.0
71.08635	67.5
75.04489	3.4
79.05495	12.6
81.03432	15.4
81.07060	44.2
83.08619	28.4
85.06553	2.2
85.10189	37.5
88.07630	13.0
88.36465	2.1
89.07993	4.6
90.15405	1.8
91.05465	8.7
93.07046	8.4
95.04972	4.2
95.08615	51.8
95.09223	2.5
97.10176	13.1
98.21081	5.5
98.98470	56.5
100.98932	2.9
105.07016	3.5
106.08664	4.9
107.04934	4.6
107.08586	7.3
109.06525	2.7
109.10167	24.0
111.00796	2.2
117.07040	5.2
119.08576	5.6
121.06493	6.3
121.10154	6.1
123.11722	12.4
127.03935	5.5
127.74232	2.1
131.08546	5.4
135.08066	4.4
137.13219	5.7
139.03958	10.1
145.10127	8.8
147.08023	3.5
153.00555	3.0
153.01828	53.6
155.03464	2.6
159.11702	2.6
161.09668	3.1
163.14787	3.3
165.05560	3.9
165.16319	2.1
181.04996	15.8
187.11162	4.1
189.12741	2.3
221.22614	2.4
239.23729	19.3
257.24887	8.4
313.27383	63.1
313.33011	5.0
331.15607	3.2
331.19061	7.6
331.22635	2.4
331.34003	98.0
352.11490	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	331.1904
Annotation	Przewalskin B
Peak:m/z	Relative Intensity
53.03938	2.8
55.01872	4.3
55.05509	8.9
57.03410	1.1
57.07076	5.6
58.07407	1.1
62.32293	1.3
65.03944	1.7
67.05506	33.2
68.11610	1.2
68.99791	15.3
69.07083	6.5
70.06588	6.8
70.45857	2.3
70.46216	2.8
71.04986	1.8
71.06895	1.4
71.08628	2.0
72.21230	1.1
79.05058	1.8
79.05499	33.7
81.03411	2.7
81.07062	36.0
83.04993	2.4
83.08608	4.2
85.06543	3.2
88.07635	9.0
89.07966	2.2
91.05483	21.3
93.07049	39.3
94.07394	1.1
95.04956	5.8
95.08614	34.8
97.02892	1.1
97.06526	4.5
97.10136	1.4
98.98470	63.6
99.04479	1.9
102.09159	2.1
105.07031	15.8
106.08669	3.5
107.04943	1.4
107.08589	34.7
109.02866	2.1
109.06526	1.5
109.10160	17.2
111.00807	24.4
111.08090	2.1
113.09623	1.8
113.80564	1.0
115.05550	1.1
117.07015	11.0
119.08573	14.5
121.10146	35.0
123.04473	1.4
123.08055	1.8
123.11720	3.4
125.05889	1.2
125.09647	1.0
127.03921	100.0
129.07025	2.1
131.08586	18.8
133.10129	10.1
135.08083	3.2
135.11723	10.3
137.06009	2.3
139.03929	7.6
139.04849	1.5
139.11162	2.4
141.06941	1.7
143.08524	1.8
145.10124	22.0
147.11684	4.6
149.05997	2.4
149.09592	3.3
149.13284	2.6
151.03854	2.4
152.54492	1.1
153.01860	14.0
155.08514	1.8
157.10199	1.4
159.08119	1.1
159.11694	7.6
161.13277	7.5
163.11240	1.6
163.14825	22.8
165.05522	2.5
167.07040	2.3
169.04956	5.1
169.10112	3.0
174.99167	2.2
176.98920	4.0
177.12807	1.5
177.16391	18.7
181.05025	6.6
183.11705	2.1
187.11232	1.5
187.14836	53.3
188.15379	1.8
191.07062	4.5
193.08743	2.3
193.10306	1.4
201.16425	1.9
203.07068	5.1
203.17982	4.2
205.15910	17.5
209.08083	1.8
211.14888	2.8
223.09615	2.0
225.16399	5.7
229.15918	3.2
230.16336	1.3
230.26944	1.2
231.10020	1.3
233.08170	1.7
237.11208	1.7
239.10684	3.2
247.17067	2.5
257.11551	1.8
271.17044	1.8
287.16394	2.7
295.16870	8.5
313.18060	9.2
313.33066	3.4
331.15509	1.7
331.19049	20.1
331.22791	2.9
331.33994	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01872	4.3
55.05509	8.9
57.03410	1.1
57.07076	5.6
58.07407	1.1
62.32293	1.3
65.03944	1.7
67.05506	33.2
68.11610	1.2
68.99791	15.3
69.07083	6.5
70.06588	6.8
70.45857	2.3
70.46216	2.8
71.04986	1.8
71.06895	1.4
71.08628	2.0
72.21230	1.1
79.05058	1.8
79.05499	33.7
81.03411	2.7
81.07062	36.0
83.04993	2.4
83.08608	4.2
85.06543	3.2
88.07635	9.0
89.07966	2.2
91.05483	21.3
93.07049	39.3
94.07394	1.1
95.04956	5.8
95.08614	34.8
97.02892	1.1
97.06526	4.5
97.10136	1.4
98.98470	63.6
99.04479	1.9
102.09159	2.1
105.07031	15.8
106.08669	3.5
107.04943	1.4
107.08589	34.7
109.02866	2.1
109.06526	1.5
109.10160	17.2
111.00807	24.4
111.08090	2.1
113.09623	1.8
113.80564	1.0
115.05550	1.1
117.07015	11.0
119.08573	14.5
121.10146	35.0
123.04473	1.4
123.08055	1.8
123.11720	3.4
125.05889	1.2
125.09647	1.0
127.03921	100.0
129.07025	2.1
131.08586	18.8
133.10129	10.1
135.08083	3.2
135.11723	10.3
137.06009	2.3
139.03929	7.6
139.04849	1.5
139.11162	2.4
141.06941	1.7
143.08524	1.8
145.10124	22.0
147.11684	4.6
149.05997	2.4
149.09592	3.3
149.13284	2.6
151.03854	2.4
152.54492	1.1
153.01860	14.0
155.08514	1.8
157.10199	1.4
159.08119	1.1
159.11694	7.6
161.13277	7.5
163.11240	1.6
163.14825	22.8
165.05522	2.5
167.07040	2.3
169.04956	5.1
169.10112	3.0
174.99167	2.2
176.98920	4.0
177.12807	1.5
177.16391	18.7
181.05025	6.6
183.11705	2.1
187.11232	1.5
187.14836	53.3
188.15379	1.8
191.07062	4.5
193.08743	2.3
193.10306	1.4
201.16425	1.9
203.07068	5.1
203.17982	4.2
205.15910	17.5
209.08083	1.8
211.14888	2.8
223.09615	2.0
225.16399	5.7
229.15918	3.2
230.16336	1.3
230.26944	1.2
231.10020	1.3
233.08170	1.7
237.11208	1.7
239.10684	3.2
247.17067	2.5
257.11551	1.8
271.17044	1.8
287.16394	2.7
295.16870	8.5
313.18060	9.2
313.33066	3.4
331.15509	1.7
331.19049	20.1
331.22791	2.9
331.33994	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38872	1.0
53.03943	1.3
55.01860	1.9
55.05496	4.2
67.01854	2.6
67.05170	1.8
67.05506	26.6
68.99775	1.5
69.03429	1.4
69.07065	2.6
69.84533	5.5
79.05492	16.4
81.07059	23.4
83.08627	1.5
91.05478	8.9
93.07039	19.6
95.04968	1.8
95.08609	14.1
97.02886	0.9
98.20830	2.1
98.21375	1.8
98.98483	7.9
105.07028	5.4
107.08610	14.2
109.06538	1.5
109.10155	9.3
111.00769	1.8
117.07009	1.4
119.08565	4.1
121.10161	15.1
123.11691	4.1
127.03931	5.7
131.08534	3.8
133.10133	2.8
135.11691	2.7
137.05966	2.4
139.03899	24.9
139.11198	1.7
145.10100	2.7
149.09633	1.2
149.13266	1.2
151.03943	1.4
153.01831	100.0
153.05341	2.4
155.03371	1.1
161.13263	10.2
163.03903	4.3
163.14822	20.4
165.01808	1.9
165.05516	4.7
167.03391	2.4
167.07076	1.0
171.02795	0.9
176.98929	1.5
177.05547	1.8
177.16370	1.9
181.04955	9.2
187.14867	6.5
189.05368	1.0
191.06949	2.3
193.04836	1.6
193.08591	2.9
195.06516	2.9
205.08623	1.6
205.15887	4.1
207.06474	1.1
221.08116	1.2
242.47665	1.0
313.17963	8.2
331.19022	18.6
331.22687	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Przewalskin B
Peak:m/z	Relative Intensity
53.03947	1.7
55.01857	1.4
55.05511	6.1
57.03413	0.6
57.07073	3.6
57.15873	0.6
59.42135	0.6
65.03925	1.1
67.01857	1.7
67.05503	32.4
68.99786	2.8
69.03436	2.1
69.07071	3.2
70.06590	3.1
71.08614	1.8
71.30700	1.0
79.05493	18.5
81.03436	1.2
81.07054	24.0
83.01331	0.8
83.04996	1.1
83.08601	1.9
85.06526	1.0
88.07615	3.9
89.07967	0.9
91.05487	7.7
93.07042	21.5
95.04966	2.0
95.08605	15.6
97.02865	0.9
97.06538	1.2
98.98466	34.7
99.04465	0.7
102.09162	1.4
103.05442	0.7
105.07021	5.1
106.08662	3.1
107.04972	1.0
107.08590	16.7
109.02843	0.7
109.06512	1.1
109.10152	9.0
111.00798	1.9
111.04445	1.1
117.07021	2.2
119.04945	0.7
119.08575	3.7
121.06496	1.2
121.10139	16.9
123.04425	1.5
123.11703	2.6
125.06023	1.2
127.03931	6.8
131.08571	4.0
133.10106	3.8
135.08037	1.1
135.11684	3.9
137.05974	3.2
137.09668	0.6
139.03899	27.9
139.11168	1.1
140.04236	0.7
145.10161	3.7
147.11667	1.2
149.05975	0.9
149.09618	1.0
149.13222	1.4
151.03899	1.9
151.07472	0.9
151.75961	0.6
153.01828	100.0
153.05325	3.7
153.73560	0.7
155.03410	1.3
155.07086	0.7
159.11693	2.1
161.13272	11.4
163.03922	3.0
163.14822	20.1
165.01833	2.1
165.05464	5.8
167.03410	1.6
167.07045	2.3
171.02936	1.1
175.07645	0.7
175.14848	0.8
176.98970	1.8
177.05466	2.1
177.12741	1.0
177.16351	1.5
179.03383	0.6
179.07079	1.4
181.04959	15.5
181.08595	0.7
183.02901	1.4
187.14845	7.0
191.07019	4.1
193.05019	2.1
193.08629	4.0
195.06627	3.4
203.07024	1.0
205.08621	1.3
205.15868	5.3
207.06540	2.3
207.10213	0.8
209.08037	1.7
219.10168	0.8
221.08171	1.1
229.08482	0.8
231.10179	0.7
235.09575	0.9
247.13261	0.8
257.11594	0.7
271.13330	1.1
295.16785	0.7
308.85681	0.7
313.14481	1.0
313.17963	9.6
313.32910	1.8
330.33752	2.6
331.08133	1.0
331.19031	19.9
331.22589	1.3
331.33987	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2266
Annotation	Jasmolin I
Peak:m/z	Relative Intensity
50.44603	0.9
53.03930	1.9
54.25183	0.9
55.01860	2.3
55.05512	16.2
57.03432	1.2
57.07075	5.7
65.03927	4.2
67.01854	1.8
67.05505	89.3
68.99778	2.6
69.03428	8.2
69.07066	12.7
70.06542	1.2
70.53358	3.4
71.01323	1.2
71.05005	1.6
71.08626	2.2
73.14062	1.1
79.05057	1.6
79.05495	26.5
81.07057	100.0
83.01346	10.8
83.04967	4.8
83.08620	6.9
85.02896	1.7
85.55060	0.9
88.07645	1.4
91.05472	9.6
93.06472	1.3
93.07053	27.0
95.04963	5.6
95.08607	77.9
97.06522	8.9
97.10167	2.8
98.21364	1.6
98.97848	2.0
98.98470	33.6
99.04445	2.0
101.02380	1.5
105.07030	10.6
107.04962	3.3
107.08587	16.0
109.06510	3.6
109.10156	46.9
111.04446	6.7
111.08067	2.9
117.07040	3.0
119.08604	8.2
121.06516	4.0
121.10141	12.7
123.04441	1.6
123.08076	5.3
123.11720	19.2
125.02372	14.9
125.06001	6.7
125.09646	2.4
129.07001	1.5
130.84955	0.9
131.08568	7.4
133.10130	5.8
135.08054	3.5
135.11710	11.0
137.05978	3.6
137.09583	1.0
137.13240	7.1
139.03882	2.0
139.07518	2.4
139.11142	1.5
140.04659	3.8
141.05473	13.3
143.08580	1.6
145.10147	5.5
147.08054	3.1
147.11714	3.6
149.09613	4.7
149.13260	7.6
151.07518	2.7
151.11145	1.1
151.14786	1.7
153.01849	6.2
153.05470	24.9
153.09111	3.3
157.08614	1.7
157.10043	2.1
159.11708	5.5
161.09610	4.5
161.13223	1.8
163.07590	5.7
163.11115	3.3
163.14772	2.3
165.09091	2.8
167.07001	2.3
167.10687	1.0
169.08597	1.2
171.10204	2.4
171.11710	2.2
173.09761	1.1
173.13289	4.6
175.11247	1.8
175.14799	1.4
176.98953	2.1
177.09087	3.3
177.12691	2.0
179.07065	2.5
179.10629	1.9
179.14331	1.3
181.04951	1.2
181.08604	4.0
183.11636	1.3
185.11768	1.3
185.13297	1.4
187.11194	3.3
187.14859	2.9
189.12752	2.9
189.16446	1.2
191.14279	1.7
191.17964	2.5
193.08655	2.5
193.12297	1.6
195.10175	8.0
197.13165	1.3
199.11316	1.0
199.62671	1.1
201.12741	5.0
201.16336	1.6
202.01935	1.0
203.14293	2.4
205.05049	2.1
207.10255	2.1
209.11719	11.9
215.14326	3.9
215.17972	6.8
219.13797	1.2
221.11644	1.7
223.13263	19.2
229.12294	1.6
229.15915	2.7
229.19490	1.3
235.13303	1.5
235.16916	1.1
237.14847	16.6
239.17926	1.6
243.13797	3.2
249.14839	4.1
251.16467	9.5
257.15317	3.3
257.19177	2.1
261.14929	4.2
263.16412	3.4
265.17902	3.0
267.21057	1.5
271.16885	2.1
275.16458	7.2
275.19394	1.2
277.17853	1.1
285.22031	4.6
289.18069	4.6
295.20361	1.3
313.21536	9.3
313.27328	1.6
331.19214	3.9
331.22656	79.7
331.33878	17.1
332.23077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1751
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
53.03943	1.2
55.05507	2.2
57.03421	1.5
57.07066	3.5
60.01765	1.0
65.03944	1.3
67.05511	3.6
69.03438	6.7
69.07058	2.4
69.33723	10.0
71.04989	4.5
79.05504	1.2
81.07059	6.0
83.04988	3.0
85.02927	5.4
85.06550	12.6
91.05483	10.0
93.07049	2.0
95.04972	4.2
95.08618	2.2
97.02922	2.5
97.06503	1.6
98.20795	2.8
98.21461	2.1
98.98471	41.2
99.04470	1.3
103.05491	3.0
105.07040	3.3
107.04945	5.0
107.08598	2.9
109.06552	2.8
109.10149	11.8
111.04401	1.4
113.06007	4.4
117.07046	1.6
119.04959	5.3
121.06520	3.3
121.10122	4.2
122.03644	2.3
123.08097	1.5
123.11720	12.5
127.03928	1.4
129.07021	5.6
131.04955	2.3
133.06520	1.9
135.08084	2.5
137.05984	21.1
139.11183	4.7
149.06013	5.7
150.06726	2.0
151.04002	2.3
151.07553	23.9
151.11145	6.6
153.01837	2.2
153.12769	1.3
157.06506	3.6
161.06006	9.4
163.07529	9.8
165.07022	3.0
165.09201	1.3
166.07764	1.6
167.08603	4.6
169.12251	100.0
170.12680	2.0
174.99216	1.8
175.07578	1.7
176.98933	3.4
177.05264	1.3
178.07790	1.4
179.03384	4.6
181.06465	2.0
182.07211	1.3
189.09149	12.0
193.10144	2.2
195.08064	6.9
207.08261	1.4
207.10265	3.7
209.05730	1.5
210.06787	3.3
218.07256	1.5
221.06078	2.9
221.09677	2.0
223.07565	2.7
225.09096	2.0
227.10674	7.3
238.06215	1.7
239.06973	1.4
249.09293	1.5
253.08617	3.9
253.12315	3.1
255.10153	8.1
269.08139	2.0
270.08731	2.4
285.11172	6.4
287.12808	11.9
313.14276	3.2
316.09048	3.0
331.04364	4.1
331.11530	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	331.1903
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.03942	1.2
55.01868	0.9
55.05505	4.0
67.01851	1.1
67.05507	22.7
68.99796	2.6
69.03423	2.1
69.07064	2.1
70.77828	1.6
70.78149	0.9
79.05492	13.3
80.32813	0.9
81.07063	22.2
83.08619	1.0
91.05492	6.9
93.07042	19.3
95.04995	1.4
95.08613	17.1
95.12782	0.9
97.02911	0.8
98.21042	1.8
98.98472	1.6
105.07030	4.6
107.08588	15.2
109.06564	0.9
109.10162	7.9
111.00838	1.9
111.04484	0.9
117.07039	1.0
119.08590	3.6
121.10144	13.2
123.08082	0.9
123.11717	2.5
127.03917	3.4
131.08565	2.8
133.10144	2.7
135.11681	2.6
137.06013	2.0
139.03911	24.2
145.10120	3.6
147.11758	1.3
151.03966	1.1
153.01834	100.0
153.05333	4.1
154.02173	1.7
155.03333	1.1
159.11685	1.4
161.13240	10.3
163.03844	2.3
163.14819	18.7
165.05481	5.9
167.06996	1.3
175.12971	0.8
177.16385	1.0
179.14279	0.8
181.04955	13.3
187.14848	6.9
191.07063	3.8
193.08595	3.2
195.06560	4.0
205.15901	4.5
209.08099	1.5
221.08003	0.9
282.65845	0.8
313.17917	7.3
331.19022	11.1
331.33969	2.3
332.38467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05507	4.4
57.07069	0.9
67.01849	2.0
67.05168	1.4
67.05508	25.3
67.05870	1.6
68.99791	2.1
69.03414	1.9
69.07065	4.1
70.82486	2.5
79.05500	15.5
81.07060	23.5
90.20762	0.8
91.05490	8.8
93.07047	17.0
95.04959	1.3
95.08607	19.4
97.02874	1.5
97.06505	1.3
98.21217	1.1
98.98450	2.2
105.07032	5.6
105.24059	0.9
107.08602	14.6
109.06462	1.3
109.10159	9.1
111.00798	1.8
115.62009	0.8
115.97308	0.8
117.07001	1.1
119.08591	5.7
121.10139	16.0
123.04376	1.0
123.11714	2.4
127.03900	4.1
131.08546	2.9
133.10114	2.1
135.08051	1.8
135.11687	2.4
135.84653	0.8
137.05991	1.7
139.03894	23.1
139.11162	1.4
145.10120	2.0
147.11682	1.2
151.03816	1.1
153.01833	100.0
153.05362	4.0
154.02168	1.0
155.03436	1.3
159.11671	1.4
161.13281	10.3
163.03862	3.1
163.14827	18.0
165.05496	5.2
167.03372	1.1
177.05292	1.1
177.16299	2.0
181.04970	10.2
187.14839	7.1
191.07004	2.2
193.05011	1.0
193.08604	3.0
195.06447	2.7
203.07005	1.3
205.15953	4.0
209.08167	1.1
243.10197	1.2
313.18011	5.2
331.19019	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
54.53432	1.3
55.01864	4.0
55.05508	1.6
56.74892	1.4
56.96567	12.9
65.03955	2.4
67.05497	3.9
69.03431	2.2
69.07078	1.6
71.23511	2.5
78.78464	1.2
79.05480	5.6
81.03371	1.9
81.07052	8.8
83.04973	2.2
85.02876	1.5
85.06577	1.8
86.94666	1.1
91.03925	1.2
91.05486	38.9
93.07044	4.4
94.04189	4.2
95.04973	9.2
95.08601	4.7
98.85724	1.3
98.98470	59.1
98.99123	2.8
99.59499	1.4
103.05475	7.2
105.07052	9.9
107.04978	8.0
107.08599	9.8
109.02895	3.2
109.06545	6.1
109.10169	3.2
111.04443	2.3
114.88411	1.3
115.05475	3.2
116.99489	1.6
117.06996	2.7
119.04947	21.2
119.08578	6.1
119.18406	1.4
121.06519	7.3
121.10117	1.9
122.03665	10.7
123.04449	3.2
123.08075	4.0
123.11733	2.8
128.06210	5.7
129.07013	18.3
131.04944	8.3
131.08575	3.3
133.06493	3.7
133.10118	3.2
135.04436	1.9
135.08029	4.9
135.11676	1.4
136.05215	3.4
137.05988	91.0
138.06345	1.4
139.07497	1.8
141.06992	3.5
143.08607	1.7
145.06494	4.2
145.10094	2.4
146.03650	1.6
147.04424	1.8
149.05971	14.5
151.03940	5.8
151.07552	100.0
152.06203	4.9
153.01834	5.9
153.06967	5.4
154.93202	1.7
155.08548	1.7
157.06509	15.0
157.30157	1.5
159.04507	1.3
159.11729	2.1
160.05276	1.4
161.05994	16.0
161.09639	5.0
163.07552	24.6
165.07013	21.2
165.09164	5.3
166.07715	3.7
167.07063	4.6
167.08577	19.0
168.05714	4.0
169.06485	4.2
169.10150	1.7
169.12267	2.2
171.08151	1.6
172.94296	5.5
174.06808	6.1
174.99219	2.6
175.07555	5.1
176.98924	4.7
177.05521	2.2
177.07050	3.8
177.09088	3.3
178.07770	8.7
179.03378	2.0
179.08571	2.3
180.05750	1.7
181.06517	9.3
181.07848	1.3
182.07253	8.2
183.04277	1.7
183.08063	5.3
184.05217	2.4
184.08815	1.8
185.06017	2.5
187.07520	1.6
189.07407	1.9
189.09114	36.7
190.95351	5.4
191.08585	1.6
192.09280	2.3
193.06468	7.9
193.10143	9.2
194.07339	6.8
195.08072	33.6
196.05190	3.1
196.08760	2.3
197.05978	9.7
197.09599	1.7
198.06790	3.4
199.07582	3.2
202.07816	1.9
203.06721	1.5
203.08600	3.0
205.06564	2.2
206.07385	2.2
207.04523	2.1
207.08084	1.6
207.10205	4.4
209.05933	5.5
209.09721	3.9
210.06789	15.2
211.07582	10.7
212.08356	7.6
213.05476	5.4
213.09065	3.7
214.06227	3.6
219.08049	1.7
221.06094	10.9
221.09625	14.0
222.06758	1.7
223.07596	15.1
224.08322	4.9
225.05487	3.7
225.09096	13.7
226.06183	2.9
227.07040	5.0
227.10674	35.9
228.07809	2.7
229.08459	1.7
230.05791	2.0
233.08456	2.1
234.06766	2.4
237.05452	3.2
237.09062	3.8
238.06200	8.3
239.07054	5.7
239.10739	1.7
240.07864	5.1
241.04955	3.1
241.08618	4.7
241.12231	2.5
242.09172	1.6
243.10071	1.4
245.08304	1.9
249.09109	3.0
251.07027	2.4
251.09477	14.2
252.07809	2.5
253.08652	15.8
253.12239	18.7
255.06581	4.3
255.10161	33.0
256.07306	2.2
256.10791	1.5
257.08075	3.7
267.06537	1.4
267.10233	8.7
267.17291	1.8
269.08029	3.5
269.10800	5.8
270.08884	3.7
271.09583	4.7
272.10455	4.4
281.11530	8.0
284.10474	1.6
285.11240	23.4
285.18619	1.7
287.12814	47.1
299.09286	3.2
299.12701	1.5
313.07205	1.7
313.14297	13.9
316.09140	4.8
331.08182	8.0
331.11743	59.2
331.15359	4.9
331.19199	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
64.17663	1.3
65.03941	2.3
67.05522	1.9
69.03429	2.3
69.34835	13.6
79.05485	3.7
81.07055	2.8
91.05483	35.4
94.04163	3.5
94.46561	1.5
95.04985	5.3
98.20805	3.6
98.21461	2.4
98.98474	38.0
103.05447	5.7
105.07039	4.9
107.04969	8.8
109.06528	4.4
110.10628	1.5
115.05450	3.0
117.07051	2.3
119.04950	22.2
119.08604	1.6
121.06525	8.7
122.03622	7.2
128.06216	6.0
129.07014	17.2
131.04950	6.1
133.06451	4.1
135.08057	6.4
136.05223	4.8
137.05981	91.9
143.04941	2.0
145.06502	4.8
146.03651	1.8
147.04410	2.7
148.05165	2.2
149.05988	17.2
151.03932	4.5
151.07547	100.0
152.06227	7.5
153.07007	6.5
154.07780	2.0
155.06055	4.3
155.08655	2.1
157.06517	17.8
161.05981	17.4
161.09641	5.0
162.06714	2.2
163.07553	27.0
165.05629	2.3
165.07005	18.5
165.09111	3.2
166.07817	5.1
167.07173	2.4
167.08519	18.7
168.05765	3.5
169.06485	4.6
169.07719	3.0
171.08064	1.6
174.06783	6.4
175.07561	5.0
176.98895	2.5
177.05577	1.7
177.06990	3.3
177.09079	4.3
178.07736	7.1
179.05994	2.1
180.05536	1.5
181.06517	9.4
182.07326	4.1
183.08134	4.1
184.08858	2.1
185.07199	2.3
189.09113	39.3
191.08632	1.7
193.06302	7.0
193.10156	8.1
194.07318	4.8
195.05653	8.3
195.08081	25.8
196.06511	2.8
197.05821	7.7
197.09680	2.9
199.07652	4.2
202.07912	2.1
203.08565	3.7
206.07362	1.9
207.08211	2.6
207.10178	5.7
209.05995	5.0
209.09607	5.4
210.06708	14.6
211.07419	10.7
212.08345	6.2
213.06798	1.7
214.06271	1.8
219.07994	1.6
220.08932	2.0
221.05762	7.8
221.09523	13.0
223.07495	12.0
224.08368	5.9
225.06624	4.9
225.09152	13.9
227.07001	5.4
227.10655	32.8
228.07822	3.2
229.06180	2.4
235.07526	1.8
237.09146	3.9
238.06299	6.8
238.09897	2.8
239.06825	3.2
239.10632	1.6
240.07889	5.1
241.04805	1.7
241.08632	3.2
242.25873	1.5
243.10179	1.6
249.06805	2.5
249.09016	6.9
252.07875	2.4
253.08598	17.0
253.12250	17.7
255.06410	3.5
255.10178	35.0
256.07321	1.5
256.10889	1.6
257.08228	2.0
267.07596	3.7
267.10291	4.9
269.08167	4.1
269.11783	2.5
271.07153	7.6
271.09735	3.2
272.10486	4.4
277.06076	2.2
281.11780	6.1
284.10440	1.9
285.08585	11.5
285.11264	18.0
287.09515	3.2
287.12750	45.7
288.10001	2.4
288.13055	1.7
295.07010	6.8
299.09247	3.5
301.14374	2.1
313.08231	26.5
313.14236	12.6
316.09192	2.1
331.09094	8.4
331.11789	48.1
331.15439	3.9
331.18542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
55.01863	2.8
55.05507	2.1
56.05047	1.5
69.03405	2.0
69.07053	4.9
71.56731	1.9
77.42348	1.5
79.05459	3.9
81.03409	2.3
81.07040	4.7
83.04978	1.9
84.50264	1.7
85.02903	1.8
85.06544	1.6
86.00653	2.0
91.05481	31.7
93.07036	2.1
94.04172	3.6
94.66055	1.5
95.04951	6.6
97.06528	1.4
97.47162	1.3
97.73315	1.6
98.98470	74.1
99.04398	1.7
100.98877	3.3
102.05525	2.7
103.05478	7.0
105.07059	7.1
105.07609	1.5
107.04955	6.7
107.08577	1.9
109.02875	2.5
109.06525	4.4
109.10155	1.8
111.04408	2.1
113.05953	1.6
115.05442	3.0
117.03348	1.8
117.07040	2.1
119.04945	18.9
119.08550	2.0
121.06500	6.7
122.03635	10.1
123.11715	2.8
127.03898	2.0
127.07423	1.5
128.06201	4.5
128.07097	2.9
129.07011	10.5
131.04921	6.7
132.01114	3.2
133.06480	2.5
135.08099	4.3
136.05190	3.2
137.05981	100.0
143.08545	1.8
145.06467	3.6
146.03662	2.5
146.07254	2.1
147.04364	1.9
147.07991	2.0
149.05989	13.4
151.07550	83.4
151.09399	3.1
151.11174	1.8
152.06201	5.9
153.01833	2.7
153.06998	6.3
157.06508	12.2
159.04688	3.1
159.08031	2.8
161.05992	8.6
161.09555	1.8
163.03889	2.5
163.07535	17.7
165.06993	16.4
165.09119	3.3
166.07782	3.4
167.07085	3.9
167.08571	16.5
168.05716	3.8
169.06474	4.6
171.49677	1.6
174.06786	5.6
174.99246	2.4
175.07530	3.9
176.98882	3.5
177.06931	1.7
177.09145	3.0
178.07791	6.7
179.08601	2.2
180.05780	2.0
181.06474	9.0
182.07280	6.7
183.08122	4.5
185.05930	2.7
189.09114	32.6
191.08589	1.9
192.09355	2.5
193.06461	4.1
193.10135	7.1
194.07274	2.7
195.05624	2.8
195.08067	25.5
196.05226	4.4
196.08809	2.0
197.05925	7.6
198.06818	1.8
199.07516	1.8
202.08980	6.2
206.07236	1.9
207.04514	2.0
207.10156	4.5
209.05968	5.1
209.09497	2.1
210.06749	11.1
211.07574	9.4
212.08255	6.3
213.05370	4.0
214.06233	3.7
221.05991	9.1
221.09544	8.6
223.07494	12.1
224.08313	4.4
225.09081	10.1
227.07043	4.2
227.10649	27.7
228.07794	3.5
234.06860	1.7
237.05347	2.0
237.09126	2.6
238.06277	7.5
239.07091	5.1
240.07875	3.5
241.04909	2.6
241.08603	3.4
241.12282	1.9
243.10126	2.1
249.09058	5.0
251.06900	1.7
253.08597	11.3
253.12259	12.7
255.06689	3.6
255.10138	28.0
256.07349	2.1
267.10400	6.5
269.08011	5.7
269.11658	2.1
270.08685	2.9
271.07040	1.9
271.09787	4.7
272.10358	3.9
273.07755	2.2
281.11652	4.9
284.10645	1.7
285.08438	5.9
285.11234	14.9
287.12772	39.8
288.10199	1.6
295.07181	1.9
295.10602	1.7
299.09167	2.2
313.08411	12.1
313.14569	9.5
316.09201	1.8
316.14999	1.5
331.04776	2.8
331.11880	60.4
331.19684	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
56.51333	1.5
60.93780	1.5
71.23745	3.5
77.92414	1.6
78.21279	1.7
79.05500	3.0
81.07053	2.4
85.02925	1.6
91.04949	3.1
91.05481	31.3
94.04199	3.1
95.04969	6.8
95.08644	1.4
98.21017	2.7
98.98466	33.1
100.34624	1.5
103.05471	5.3
105.07036	5.3
107.04967	5.5
109.06513	5.4
115.05462	1.7
117.07008	3.9
119.04957	20.0
121.06487	6.2
122.03653	8.0
123.08092	2.9
128.06224	3.7
129.06984	13.7
131.04904	4.3
133.06458	2.1
134.03615	2.1
135.04411	1.6
135.08055	6.9
136.05174	4.2
136.17174	1.6
137.05978	90.6
145.06471	3.6
146.03583	2.2
147.04373	2.3
149.06021	14.5
151.03925	3.1
151.07547	100.0
152.06248	4.5
153.07004	3.2
157.06517	15.8
158.07243	2.1
161.05945	12.5
161.09612	4.7
163.03935	1.6
163.07549	20.7
165.07027	12.1
165.09074	4.4
166.07735	3.7
167.08521	16.8
169.06522	4.1
174.06747	8.8
175.07585	4.1
176.98895	3.0
177.06982	3.1
177.09160	4.6
178.07733	8.3
179.03400	2.4
179.08524	1.7
181.06435	8.5
182.07294	5.0
189.09109	33.6
192.09227	1.9
193.06505	8.7
193.10129	7.1
194.07219	2.6
195.08063	28.6
197.05994	6.0
197.09531	1.8
199.07516	1.7
200.62711	1.6
203.08569	2.3
205.06500	2.1
206.07245	2.8
207.04257	1.8
207.08167	2.6
207.10201	5.0
209.05923	3.1
209.09706	3.6
210.06754	11.3
211.07524	6.6
212.08363	5.4
221.06041	10.4
221.09572	12.9
223.07584	9.9
224.08243	5.3
225.01860	2.6
225.05496	3.1
225.09116	13.4
227.07037	4.5
227.10646	33.3
228.00540	3.2
229.04788	2.1
237.05415	2.1
237.09067	3.2
238.06235	6.4
238.09906	2.4
239.06967	3.2
240.07860	3.5
241.08546	2.7
249.09116	6.8
252.07967	2.3
253.01424	3.6
253.08675	15.4
253.12221	17.3
255.06396	2.8
255.07259	2.8
255.10159	35.0
256.10876	1.8
267.10339	4.9
269.08112	4.4
269.11453	2.1
271.02396	8.4
271.09647	2.3
272.10446	4.4
281.11630	7.8
285.11182	25.6
287.12772	43.1
295.10513	1.6
298.11951	2.7
299.01862	18.4
299.09149	2.2
299.12595	1.7
300.02698	2.0
300.99887	4.4
313.08316	2.2
313.14413	12.3
316.02100	14.6
331.04517	41.6
331.11844	16.5
331.15601	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
67.05495	2.3
68.07357	1.5
71.24108	3.4
74.02551	1.4
79.05494	4.5
81.07055	2.4
91.05483	29.3
93.07014	1.6
94.04188	4.7
95.04959	6.0
98.21198	2.4
98.98470	43.0
103.05473	5.5
105.07027	5.6
107.04983	9.1
109.06512	5.3
115.05482	2.1
117.03352	1.9
117.07007	2.8
119.04952	21.1
120.05669	2.0
121.06512	7.1
122.03673	8.5
123.04476	2.9
123.08037	2.5
128.06224	3.2
129.07025	14.8
131.04932	6.2
131.08504	2.4
133.06451	3.0
133.10104	1.8
135.08070	7.3
136.05226	4.7
137.05984	79.6
140.62912	1.6
143.04985	1.7
145.06464	4.3
148.05238	2.2
149.06023	15.7
151.04019	2.8
151.07549	100.0
152.06187	3.8
152.08000	1.6
153.01802	1.5
153.07057	1.8
157.06500	13.0
159.08081	2.0
161.06020	15.4
161.09636	4.9
163.03915	2.0
163.07561	27.2
165.07002	12.6
165.09120	5.1
166.07739	4.1
167.08559	17.5
169.06552	2.4
174.06787	6.5
175.07480	5.1
176.98920	4.7
177.06973	1.7
177.09113	3.3
178.07788	5.3
179.03325	3.3
179.08519	2.6
181.06439	5.4
181.10159	1.7
182.07249	4.4
183.08078	2.2
184.08868	2.5
189.09109	36.5
192.09418	2.4
193.06447	9.2
193.10184	7.1
194.07278	3.7
195.08081	29.1
196.08847	3.0
197.05994	6.5
203.08560	1.7
204.86279	1.9
207.08125	1.9
207.10149	8.4
209.05722	4.9
209.09666	3.6
210.06702	8.7
210.10162	1.5
211.07582	6.9
212.08316	5.2
221.06073	9.8
221.09573	10.4
223.07524	14.8
224.08304	4.6
225.05540	2.6
225.09142	10.1
227.07076	2.7
227.10666	29.8
237.09117	4.2
238.06265	6.8
239.07011	3.8
240.07808	3.5
241.08672	2.6
241.12152	1.9
249.09113	6.3
252.07739	2.7
253.08641	13.7
253.12288	15.0
255.06390	2.7
255.07243	2.4
255.10175	33.2
257.08002	1.7
263.10657	2.4
267.10196	5.8
269.08206	3.4
270.08621	5.1
271.09647	2.2
272.10364	2.3
281.11722	5.2
285.11234	21.9
287.12799	46.4
298.11975	2.5
298.46494	1.7
313.14426	13.1
316.09055	10.1
330.21198	1.6
331.04785	2.3
331.08325	1.9
331.11499	14.4
331.15601	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	331.1175
Annotation	Samaderin A
Peak:m/z	Relative Intensity
53.03917	0.8
55.01872	1.0
65.03928	0.9
67.05498	2.5
69.07063	1.5
71.48128	1.3
76.87159	0.9
79.05490	4.6
81.07034	1.8
91.05455	5.1
93.07036	2.1
95.04967	3.6
95.08608	1.5
98.20979	1.3
98.98470	20.0
103.05473	1.5
105.07008	3.2
107.04962	59.6
107.08578	2.2
109.06541	1.7
119.04926	3.8
121.02872	4.3
121.06493	3.4
123.04436	1.3
124.05192	1.6
131.04939	1.6
135.04411	3.2
135.08058	6.8
137.05975	4.2
139.03871	1.4
143.63965	1.0
147.04361	1.1
148.05193	3.2
148.40762	1.0
149.05946	1.5
151.07523	3.4
152.04706	2.6
152.06004	1.0
153.09157	1.4
154.01122	0.8
155.08545	1.6
157.06485	0.9
161.05969	1.4
163.03909	1.0
163.07544	18.9
165.05542	1.5
165.07039	2.8
167.03409	5.8
167.07042	2.0
167.08676	0.8
168.05605	1.3
169.08655	1.4
171.08018	1.0
175.03932	1.8
176.04692	1.4
176.98915	1.7
177.05560	1.2
178.07660	1.1
179.08553	2.8
181.06479	3.5
181.08536	1.1
182.07224	3.6
183.06541	1.3
183.08038	2.4
185.05934	1.3
191.07033	85.3
192.07480	1.3
195.06540	100.0
196.05220	1.2
196.06946	1.6
196.08839	2.3
197.05940	2.2
197.09668	5.6
199.07460	1.6
209.06000	1.2
209.08134	3.9
210.06790	2.6
211.07521	4.3
211.11224	1.7
212.04834	1.0
213.09081	1.4
214.09937	4.0
222.31895	1.0
223.07556	1.1
224.08330	1.5
225.09074	7.4
227.06985	3.6
228.07753	1.1
229.12262	1.1
237.05545	1.0
237.07451	4.9
238.06062	1.2
239.07036	1.6
239.10690	2.8
241.08589	13.6
242.09352	3.6
243.10049	1.7
253.08638	7.4
254.09372	10.4
255.06528	11.3
256.07028	1.1
257.11740	71.5
258.11954	1.4
269.07986	4.3
270.08884	14.4
271.09561	2.0
272.10284	0.9
284.10461	1.9
285.11224	70.0
286.11743	1.3
297.07474	1.2
298.08365	1.1
299.09161	1.0
313.10712	19.0
316.09003	2.5
321.59308	0.9
331.11728	27.0
331.15390	1.7
332.12189	1.3
340.54947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05503	1.9
67.05501	2.4
68.63898	0.9
69.07088	1.2
71.24276	1.2
71.24590	1.2
79.05495	5.5
81.07037	3.0
83.01360	2.0
86.80940	1.3
91.05482	5.4
93.07053	2.3
95.04957	3.1
95.08605	2.0
98.21184	1.3
98.98470	65.1
103.05498	1.3
105.07049	5.6
107.04959	55.7
107.08597	2.4
109.06434	1.1
109.10177	1.0
111.04379	1.2
116.99495	1.7
117.07001	1.9
119.04962	2.7
119.08595	1.3
120.05689	1.4
121.02883	5.4
121.06508	3.3
121.10124	1.5
123.04472	2.1
124.05186	1.5
133.06424	0.9
133.10172	1.2
135.04382	3.9
135.08047	5.3
137.05983	3.2
139.03905	1.5
141.07014	1.1
145.06459	1.0
145.10036	1.1
147.08058	1.0
147.11548	1.0
148.05199	3.5
149.05951	1.7
149.27309	0.9
151.03970	1.0
151.07556	2.8
152.04678	1.5
152.06058	1.1
153.09079	1.6
157.06543	1.1
161.06026	1.0
163.03993	1.3
163.07549	20.6
165.05621	1.0
165.07059	1.8
167.03398	6.2
167.07115	1.6
167.08524	1.7
170.07324	0.9
174.99255	2.6
175.03911	2.1
176.04797	1.8
176.98895	5.1
177.05467	1.3
179.03331	1.8
179.08531	2.7
181.06506	3.1
181.08682	1.9
182.07314	3.9
183.06538	1.5
183.08064	2.3
191.07037	93.9
192.07478	1.8
193.04977	1.9
195.06538	100.0
196.06950	1.9
196.08759	1.9
197.09627	6.2
198.06711	1.4
199.07661	1.2
207.08124	1.0
209.06273	1.2
209.08026	4.9
210.06767	2.5
211.07561	4.1
213.05417	1.1
214.09927	2.5
224.08353	2.7
225.09093	8.9
226.09982	1.5
227.06985	3.5
229.12250	1.2
237.05470	1.2
237.07486	5.5
238.06146	1.3
238.09862	2.2
239.07033	1.5
239.10655	3.2
241.08640	13.0
242.09360	4.3
252.99841	1.3
253.08600	8.1
254.09364	13.6
255.06596	8.8
257.11734	71.4
258.12070	2.3
267.10284	1.7
269.08090	4.3
269.11603	1.1
270.08868	15.8
271.09622	1.2
284.10358	1.5
285.11227	70.1
286.11392	1.3
298.08475	1.1
313.10764	19.3
313.14304	1.9
331.08084	2.4
331.11749	18.1
331.15414	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Samaderin A
Peak:m/z	Relative Intensity
50.47667	1.2
53.03951	2.4
55.01867	1.9
55.05513	1.6
56.96556	3.7
56.96856	1.1
57.03438	1.4
67.05499	2.6
69.03431	2.3
69.07079	1.3
69.49610	5.0
69.50034	4.9
79.05511	6.2
81.03399	1.8
81.07051	6.3
83.01336	3.0
91.05479	11.3
93.07049	2.5
95.04981	5.9
95.08604	3.4
98.21176	4.7
98.98465	68.5
103.05476	2.1
104.09808	1.2
105.07038	5.5
107.04957	55.5
107.08618	2.2
109.02903	2.6
109.06528	2.6
109.10139	2.1
111.04351	1.9
115.05431	2.1
116.98752	1.2
117.07009	1.6
119.04914	7.0
119.08595	2.8
120.87561	1.2
121.02867	5.8
121.06486	3.5
121.10127	2.3
123.04430	4.5
123.11724	2.5
124.05221	1.4
127.03923	1.9
129.07019	2.3
131.04929	4.4
133.02847	2.0
135.04431	4.1
135.08066	5.5
137.02327	4.3
137.05994	12.8
139.07594	1.3
141.06973	2.8
145.06473	2.4
145.10136	1.3
148.05212	4.7
149.06004	2.4
151.03888	2.7
151.07558	9.2
152.04663	2.4
152.06200	2.5
153.01819	4.5
153.07027	5.5
154.07780	2.7
155.08531	2.7
157.06511	4.0
159.07996	2.4
161.06023	2.5
163.03903	2.4
163.07523	23.5
163.08784	1.9
165.05626	2.2
165.07022	7.5
166.07845	1.6
167.03439	7.5
167.07057	3.3
167.08563	3.0
168.05710	2.8
169.06479	3.6
169.10133	1.2
171.08049	1.6
172.94246	1.9
174.99200	1.6
175.03998	1.5
176.95665	1.4
176.98965	3.9
177.09169	1.3
179.03421	4.4
179.08517	2.6
180.04123	1.4
181.04947	5.9
181.06523	7.9
181.08047	1.2
182.07251	8.2
183.06590	2.3
183.08080	6.3
184.05220	1.7
185.06009	5.2
186.10626	1.2
189.09137	3.1
191.07036	84.5
192.07574	1.7
193.04988	3.7
194.05644	1.3
194.07321	1.7
195.06526	100.0
196.05234	1.8
196.08806	2.9
197.06024	3.7
197.09636	6.7
198.06775	2.0
199.07613	2.9
200.08124	1.4
207.06520	1.4
209.05992	3.4
209.08160	3.8
210.06783	5.4
211.07533	8.3
211.11183	1.4
212.04674	1.2
212.08331	2.6
213.05537	5.0
213.09047	1.7
214.06358	4.0
214.09958	3.0
221.05898	1.4
222.06802	1.6
223.07664	1.7
224.08241	2.4
225.05518	3.0
225.09122	11.8
226.06313	1.2
227.06982	6.5
227.10674	3.4
228.07780	2.9
229.08597	1.6
229.12221	2.3
230.05757	2.5
237.07552	5.4
238.06302	4.3
239.07112	3.9
239.10619	2.8
240.07715	1.5
241.04987	2.9
241.08553	16.5
242.09323	2.6
243.10124	1.9
251.07248	1.3
251.09579	5.0
253.08582	10.1
253.10948	1.3
253.11729	1.1
254.09438	11.6
255.06497	10.6
255.10199	2.1
256.07339	3.5
257.08249	6.1
257.11722	78.5
269.08035	7.3
269.10651	1.9
270.08862	15.5
271.09738	6.1
273.07541	2.6
281.04648	1.2
281.08087	2.6
284.10382	2.4
285.08072	3.1
285.11209	72.9
287.12885	3.5
288.10065	2.0
299.09180	5.3
313.07367	3.3
313.10751	19.9
316.09088	3.7
331.04150	4.7
331.08084	57.8
331.11798	69.1
331.18900	2.7
332.08444	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	329.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62798	0.4
55.05511	3.1
57.03436	0.4
57.07069	1.2
65.03978	0.4
67.05509	3.7
67.88615	0.4
69.03412	0.5
69.07064	4.2
69.54980	2.9
69.63934	0.4
71.08628	0.7
73.46999	0.4
79.05489	1.7
81.07063	8.0
83.08605	2.7
85.06530	0.9
91.05473	1.5
93.07028	2.2
95.04980	0.6
95.08615	8.8
97.10165	1.5
98.21173	1.4
98.98469	100.0
99.08087	0.8
100.98891	0.7
103.05442	0.8
105.07037	1.2
107.08602	1.9
109.02833	0.5
109.06527	0.6
109.10172	4.5
111.11701	1.0
115.05456	0.5
116.99515	2.1
119.08585	1.1
121.10154	1.8
123.11710	2.0
131.04942	0.6
131.08614	0.6
133.10168	0.5
135.11749	0.8
137.05998	1.6
137.13263	0.9
139.11125	0.5
143.17474	0.4
145.10124	0.6
149.05965	0.5
149.09630	0.5
149.13289	1.4
151.07593	0.9
151.14857	0.5
152.06226	0.4
154.07693	0.4
163.07512	0.8
163.14890	0.5
165.05492	0.5
165.09167	0.4
167.03447	0.5
167.07039	0.7
174.99228	7.8
175.00674	0.7
175.07585	1.4
176.98914	4.8
181.06519	0.5
197.05957	0.7
198.06802	0.6
203.10695	0.4
208.03323	0.4
208.05174	2.2
225.05522	0.4
226.06183	0.8
227.07207	0.4
236.04657	0.6
239.06982	0.6
241.08620	1.7
242.05722	0.5
251.00150	0.6
252.99873	1.1
253.05078	0.4
254.05666	0.7
269.08112	2.4
271.05942	0.5
283.09436	0.7
285.10214	0.9
286.08353	1.0
287.09213	0.5
297.07718	1.1
297.11255	1.0
299.09143	0.4
301.10898	0.8
311.29428	0.5
315.08655	4.4
329.10199	4.3
329.13821	3.4
329.17465	0.8
329.21112	1.2
329.24777	1.3
330.10980	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	329.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48195	0.5
51.28193	0.4
55.05513	3.1
57.07069	1.9
67.05505	3.5
69.07063	6.4
70.76393	0.5
70.76733	1.0
71.08655	0.7
79.05492	2.5
81.07063	12.3
83.08632	3.8
85.02895	0.7
85.06545	1.3
91.05475	0.9
93.07050	3.8
95.08606	10.5
97.06554	0.8
97.10180	1.8
98.98470	100.0
99.08083	1.4
99.73353	0.4
100.98892	0.9
105.07045	1.5
107.08624	4.0
109.10161	6.6
111.08076	0.9
111.11736	1.8
116.99527	2.2
119.08633	1.0
121.06544	0.5
121.10169	2.0
123.11710	4.3
125.13266	1.1
131.04901	0.7
131.08560	0.6
133.10124	0.7
135.11670	1.1
137.05977	1.3
137.13254	2.1
145.10107	0.5
147.11681	0.7
149.09583	0.5
149.13249	2.9
151.14836	1.1
151.40939	0.5
151.94121	0.5
153.01695	0.5
157.70403	0.5
163.14825	0.9
165.05554	1.0
167.07114	0.5
167.14307	0.9
174.99228	6.4
175.07646	0.7
176.98952	3.1
181.04889	0.5
197.05948	0.6
197.86652	0.4
208.05168	1.6
225.05382	0.7
241.08583	0.6
243.06467	0.7
252.99782	1.3
268.07208	0.6
269.08224	1.1
293.28372	1.9
301.10669	0.6
315.08597	3.4
329.10281	2.8
329.13785	1.4
329.17426	0.9
329.21140	1.1
329.24722	0.6
330.10995	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	329.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50930	0.6
55.05516	4.6
57.07063	2.1
67.05508	5.9
69.03433	0.8
69.07068	10.4
70.85462	1.1
70.85777	0.7
71.08630	1.2
79.05493	2.7
81.07056	17.2
81.76517	0.8
83.08625	5.1
85.06551	1.6
91.05486	1.3
93.07043	5.1
95.08609	17.5
97.06620	0.7
97.10165	4.1
98.21133	1.2
98.98469	100.0
99.08102	1.3
100.98882	0.7
107.08609	3.4
109.10170	9.0
111.11723	2.3
116.99501	2.4
119.08581	1.2
121.10148	2.3
123.11720	4.5
125.13350	0.8
131.08624	1.0
134.45930	0.7
135.11661	1.5
137.06038	1.0
137.13278	3.3
148.20482	0.6
149.13287	3.5
151.14819	2.0
153.12759	0.6
159.11818	0.7
163.14862	1.8
167.07101	0.9
174.99219	7.2
175.07587	1.0
176.98930	3.9
178.79955	0.6
208.05234	0.8
269.08386	0.9
271.06033	0.8
293.28464	2.0
311.29532	1.3
315.08655	1.3
329.10181	2.5
329.13791	1.5
329.17398	0.7
329.20999	1.6
329.24741	1.4
330.10922	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	329.2111
Annotation	Longithorol C
Peak:m/z	Relative Intensity
50.40216	0.6
53.03939	1.3
55.01880	1.4
55.05513	4.3
57.07064	0.6
63.42380	0.5
65.03947	0.8
67.05505	8.1
68.99786	1.0
69.03444	2.8
69.07059	4.0
72.08173	0.6
75.18463	0.5
77.01593	0.7
79.05058	0.8
79.05495	14.3
81.07055	11.6
83.01331	4.6
83.04974	1.8
83.08612	1.5
91.04961	0.9
91.05482	12.8
93.07045	20.0
94.91806	0.6
95.04969	1.7
95.08601	7.4
97.02889	0.5
97.06530	2.9
97.10108	0.6
98.21247	3.7
98.98466	100.0
100.98886	0.6
105.04530	0.5
105.07024	13.7
107.04930	1.2
107.08601	12.9
109.06528	1.3
109.10168	3.9
111.04419	2.6
111.08071	0.9
113.05923	0.6
116.99487	2.3
117.07023	3.1
119.08583	12.3
121.06473	1.9
121.10158	7.1
123.04478	0.8
123.08064	1.0
125.02354	4.6
125.05997	1.5
125.09597	1.0
127.03938	0.9
128.06198	0.7
129.06984	1.7
131.08563	4.9
133.10135	8.7
135.08061	1.6
135.11688	10.5
137.05981	1.6
137.09598	1.0
139.03906	2.8
139.07552	0.6
140.01083	0.6
140.04688	0.8
141.05463	3.1
143.08563	2.2
145.10130	3.2
147.08017	1.5
147.11702	7.2
149.09627	1.8
149.13252	1.9
151.07552	0.9
153.01825	12.7
153.05461	6.3
153.09099	1.4
157.10143	2.2
159.11708	3.1
161.09607	1.3
161.13260	15.1
163.07565	1.1
163.11174	1.7
165.05434	1.4
165.09102	1.6
167.07062	1.4
171.11679	2.1
173.13268	1.2
174.99228	7.0
175.11238	0.8
176.98894	4.0
177.05415	0.7
177.09074	1.0
177.12729	2.2
177.16310	0.8
179.07014	1.9
179.10529	0.7
181.04916	1.7
181.08580	1.3
185.13193	3.1
187.11203	1.0
187.14822	1.5
189.09076	0.6
189.12758	1.2
189.16299	3.7
191.06950	0.9
193.08664	1.4
195.10143	1.6
201.12708	1.0
203.14240	3.3
209.11748	1.4
211.14886	0.8
213.12730	0.6
213.16371	4.6
217.12152	0.6
217.15836	0.6
221.11812	0.8
223.13252	1.3
227.17838	0.9
229.41562	0.6
231.17365	1.0
235.13310	1.0
249.14864	1.7
251.00006	0.8
251.16457	0.8
252.99712	0.7
255.13852	0.8
255.17349	0.7
259.13330	1.2
263.16284	1.1
265.19540	1.0
269.15323	0.7
273.14865	2.2
283.20306	3.0
285.21988	0.7
287.16357	2.2
293.18799	0.6
301.17953	2.2
311.16351	2.0
311.20001	6.4
329.17505	2.8
329.21078	36.8
330.33682	1.3
337.92389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1746
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
53.03935	1.3
55.01870	3.3
55.05508	4.2
57.02105	1.0
60.71815	1.1
61.51060	0.9
65.11520	1.1
67.05500	9.7
68.99790	10.0
69.07066	3.8
70.83295	1.8
79.05486	11.9
81.03426	1.2
81.07063	15.2
85.06544	1.4
91.05484	29.5
93.07040	17.0
95.04979	3.1
95.08604	9.0
98.20947	1.9
98.98466	100.0
105.07033	42.7
105.07748	1.6
107.08600	8.9
109.06532	1.8
109.10168	1.6
111.00802	17.6
117.07005	8.1
119.08582	49.5
121.10151	3.6
127.03918	46.4
128.06216	1.8
129.07010	5.9
131.08549	9.4
133.06465	1.5
133.09230	1.8
133.10138	23.2
135.08035	1.7
135.11644	1.3
139.03926	2.5
142.07764	2.1
143.08543	12.3
145.10146	4.9
147.08073	2.9
147.11728	4.7
149.13284	2.0
153.01863	2.3
155.08618	1.7
157.10115	6.7
159.11684	9.6
161.09630	4.1
161.13257	84.9
171.11716	1.4
173.13327	1.3
174.99182	9.6
175.11157	2.5
175.14806	17.0
176.98959	3.4
181.04959	3.7
185.09700	1.8
185.13261	44.1
186.13988	1.5
191.07068	1.5
199.14781	2.7
201.16393	4.0
203.14308	18.7
203.64362	1.1
209.13425	1.2
223.14909	1.5
227.14323	4.2
241.15942	1.2
245.15398	2.8
249.11189	1.3
251.14320	1.7
251.47490	1.1
252.99657	1.7
269.15305	2.7
275.14203	1.2
293.15512	2.3
311.16354	9.0
329.17474	26.2
329.21133	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	329.1747
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
52.66317	1.1
53.03935	1.0
55.05516	2.5
66.52998	1.1
67.05508	5.9
68.99793	2.6
69.03436	3.1
69.07074	2.4
69.42249	0.9
69.42555	9.5
76.54227	1.1
79.05505	9.7
81.07057	11.3
83.05024	1.0
91.05482	23.0
93.07050	14.6
95.04993	2.2
95.08604	5.4
98.21289	4.1
98.98471	34.4
103.05473	2.1
105.07040	26.5
107.08597	3.9
111.00761	1.7
117.07024	13.0
119.04955	1.3
119.07780	2.1
119.08584	27.6
121.10168	4.7
123.04412	2.7
125.05978	1.9
127.03903	5.1
128.06204	1.6
129.06995	4.3
131.08592	4.7
133.10132	16.1
135.11632	1.7
135.12589	1.0
137.05989	6.2
137.09589	2.1
139.03908	24.5
143.08557	4.8
144.09451	1.2
145.10115	2.4
147.08041	2.0
147.11691	2.1
153.01837	100.0
153.05403	3.4
155.03380	2.9
157.10101	2.0
159.11700	30.7
161.09668	1.5
161.13266	55.9
165.05481	20.5
174.99257	2.6
175.14839	2.5
176.98901	2.6
181.04948	9.2
185.13239	12.1
191.07091	4.1
195.06587	6.9
203.07104	1.5
203.14334	20.0
209.08064	6.1
247.33920	1.0
271.58481	1.0
311.16385	16.3
329.17474	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	329.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80425	0.8
53.03938	1.1
55.05503	3.0
67.01858	0.9
67.05508	5.4
68.99777	1.9
69.03421	2.6
69.07072	3.0
70.66727	1.8
73.88266	0.7
76.32004	0.7
76.69955	0.7
79.05501	10.2
81.07056	11.2
91.05484	19.4
93.07051	14.8
95.04964	1.9
95.08598	4.8
98.21381	1.1
98.98470	33.2
103.05425	1.1
105.07030	24.0
107.08591	5.0
109.06525	1.0
110.31239	0.9
111.00827	2.3
111.04465	1.7
116.99429	1.0
117.07018	13.4
119.05029	1.8
119.08585	25.1
121.10170	4.0
123.04434	1.2
125.05988	1.0
127.03895	4.0
128.06247	1.6
129.06981	3.8
131.08583	7.0
133.10136	16.2
135.11684	2.4
137.05978	7.4
137.09608	2.1
139.03903	20.3
140.99342	0.8
143.08557	6.5
144.09367	1.0
145.10127	2.3
147.04424	1.2
147.08083	1.8
147.11679	2.9
149.13339	0.8
153.01833	100.0
153.05457	2.6
155.03418	3.4
157.10176	1.8
159.11700	26.9
161.13260	52.3
163.03914	2.7
165.05486	20.2
167.07079	0.9
171.02959	1.6
173.13246	1.5
174.99258	3.5
175.14838	4.1
176.98930	1.6
181.04962	7.2
185.13280	11.8
191.07056	3.3
193.04987	1.1
193.08716	1.3
195.06491	4.9
203.07118	0.9
203.14333	22.8
209.08054	5.4
213.16432	1.4
267.62442	0.9
270.05457	0.8
311.16446	15.4
311.19989	0.8
329.13507	1.1
329.17505	21.0
329.21106	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	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05503	0.7
57.07066	0.6
61.77222	0.2
67.05496	1.5
69.03436	0.4
69.06767	0.2
69.07067	1.3
69.66054	0.2
79.05499	0.5
81.03418	0.3
81.07057	2.9
83.08622	0.7
85.06515	0.3
91.05482	0.7
93.07058	1.0
94.04191	0.3
94.22152	0.2
95.04971	0.5
95.08610	1.7
97.10155	0.4
98.20765	0.4
98.21434	0.8
98.98467	36.8
99.08126	0.3
100.98898	0.2
105.07014	0.4
107.04962	0.9
107.08582	0.8
109.06530	0.3
109.10146	1.5
111.04406	0.3
111.11703	0.2
116.99496	0.9
119.08559	0.3
121.02869	4.7
121.10136	0.4
122.03669	0.4
123.11715	0.7
134.03639	0.4
136.05197	0.8
137.05968	0.3
137.13300	0.6
138.29697	0.2
147.04411	0.3
147.11684	0.2
149.13301	0.8
151.03938	0.9
152.04697	0.5
155.14288	0.4
163.14847	0.3
164.04654	0.4
165.05452	0.7
167.03441	0.5
167.14340	0.3
174.99242	3.1
175.07562	0.3
176.98953	1.4
179.03453	0.5
181.04953	0.3
192.04198	0.7
193.04916	0.3
195.06436	0.2
195.08096	0.4
197.04391	0.3
197.06020	0.7
202.06200	0.2
203.07166	0.2
211.07509	0.3
212.08382	0.6
215.03355	0.6
225.05533	0.3
229.07520	0.3
238.04727	0.3
238.12468	0.2
239.07079	0.3
240.07809	0.8
241.08575	1.2
243.06497	1.5
252.99783	0.5
257.08047	1.6
267.06506	0.7
267.09000	0.5
268.07294	0.9
269.08057	0.7
271.05994	4.9
285.07513	2.0
285.10226	1.0
286.08340	5.7
286.11319	0.4
293.28561	0.2
295.06006	0.3
296.06876	0.4
297.07568	1.4
299.05499	0.9
311.09100	0.7
311.12619	0.3
313.07053	19.1
314.07840	35.3
315.08298	0.5
323.20209	0.2
329.10190	100.0
330.10504	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2112
Annotation	Longithorol C
Peak:m/z	Relative Intensity
53.03939	2.0
55.01874	2.4
55.05514	9.5
65.03931	1.4
67.01884	1.5
67.05510	20.8
68.99781	2.1
69.03410	4.8
69.07069	7.5
69.94730	5.2
71.04969	1.1
71.06945	1.2
79.05067	2.0
79.05498	29.6
81.07060	22.9
83.01343	12.3
83.04967	4.2
83.08598	4.1
85.02890	1.6
91.04969	1.7
91.05487	20.9
93.07050	42.3
95.04958	5.3
95.08613	16.5
97.02871	1.4
97.06540	5.7
97.10188	1.8
98.20875	2.4
98.98471	100.0
103.05473	1.2
105.07043	21.6
107.04932	2.0
107.08604	28.5
109.06525	2.5
109.10171	5.4
111.04420	4.2
111.08089	2.1
116.99492	2.2
117.07014	3.7
118.40380	1.3
119.07799	1.7
119.08584	20.6
121.06488	2.8
121.10143	18.3
123.04459	1.5
123.08032	2.3
125.02382	8.9
125.05957	3.3
125.09638	2.4
126.13739	1.2
127.03866	1.1
129.06960	3.3
131.08551	9.1
133.10133	19.5
134.96793	1.1
135.08046	1.5
135.11696	23.4
137.05974	1.8
137.09656	1.9
137.13222	1.2
139.03903	4.0
139.07555	1.4
140.04642	1.4
141.05438	8.1
143.08498	3.2
145.10085	6.4
147.11699	12.8
149.09627	4.1
149.13237	5.0
151.07562	2.3
153.01849	17.5
153.05479	16.0
153.09090	2.4
153.76378	1.2
157.08571	1.0
157.10149	4.9
159.11674	9.7
161.09619	3.5
161.13246	22.8
162.99747	1.2
163.07544	2.2
163.11194	1.8
163.14828	1.6
165.05428	4.2
165.09175	2.7
167.07053	3.5
167.10664	1.8
170.55159	1.1
171.11662	5.4
173.13280	3.2
174.99229	8.2
175.11211	2.9
175.14850	1.7
176.98903	3.4
177.09094	2.4
177.12759	2.2
179.07018	3.7
181.04976	2.2
181.08574	2.4
183.11682	1.4
185.13225	2.9
187.14803	2.2
189.12740	3.5
189.16374	8.3
191.07132	1.5
193.08578	2.6
195.06395	1.3
195.10139	2.9
199.14832	2.5
201.12721	1.9
203.14417	7.1
207.10109	1.9
209.11610	2.3
213.16379	8.9
215.14456	1.4
217.08534	1.1
221.11662	1.3
223.13239	3.9
229.12277	2.1
231.17496	2.8
235.13364	2.0
237.14905	3.1
249.14871	3.3
255.17451	2.5
259.13269	2.1
263.16507	2.3
265.19547	1.7
269.19104	1.3
273.14893	4.5
283.20508	4.9
287.16351	6.5
293.18939	1.5
301.18069	5.8
311.16452	4.0
311.20029	11.5
329.17526	5.5
329.21085	78.3
330.21222	2.6
341.95782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.45730	0.3
58.10700	0.3
67.05529	0.3
67.23555	0.3
70.00111	0.7
70.00496	0.6
74.53499	0.3
84.01753	0.3
92.82800	0.4
93.07017	0.4
93.55313	0.3
95.08569	0.4
98.21196	0.8
98.98470	27.4
108.73891	0.3
116.99475	0.5
121.10159	0.3
124.05212	1.0
134.03601	0.4
135.04381	0.4
136.05173	0.8
137.02373	2.8
139.03903	0.7
148.05003	0.3
150.55634	0.3
151.03947	0.4
152.04672	1.7
167.03426	3.3
174.99194	2.1
176.98956	1.1
179.03395	1.3
180.04147	0.9
181.05042	0.4
241.08669	0.9
243.06409	0.5
269.08191	0.4
271.06061	1.2
283.23938	0.3
285.07535	2.8
286.08432	3.4
297.07669	1.6
299.05441	1.9
313.07050	18.2
314.07837	37.4
315.08218	0.7
329.10196	100.0
330.10535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.04712	0.2
62.86430	0.2
69.07063	0.3
69.60255	1.5
70.41294	0.2
71.82309	0.2
81.07061	0.3
91.05475	0.5
93.59701	0.2
98.21276	0.8
98.98466	19.7
105.07024	0.3
107.04957	2.6
110.03648	0.7
116.99507	0.3
119.04930	0.6
120.04855	0.4
120.05723	6.6
121.02870	1.8
121.06384	0.2
125.02368	0.5
138.03125	1.8
150.03128	0.4
153.01863	2.6
163.03964	0.3
166.02580	1.6
167.03438	2.0
168.04152	0.7
174.99236	1.3
176.98918	0.8
179.03392	0.4
180.04146	0.3
181.01416	1.2
184.03729	0.5
192.04178	0.6
193.01413	0.2
193.04935	0.8
195.02863	2.1
202.97328	0.3
208.03612	0.4
239.07016	0.7
240.07784	0.5
252.99901	0.3
255.06636	0.3
256.07379	0.5
267.06543	3.3
268.07300	4.3
269.08002	0.4
271.06009	1.6
283.05981	0.7
284.06818	0.4
285.04407	0.5
285.07547	4.4
285.10587	0.4
295.06003	0.7
296.06799	2.9
297.07578	1.5
299.09079	0.3
300.06268	3.7
301.07004	0.5
311.05521	2.0
313.07053	24.1
314.07678	1.2
329.10187	100.0
330.10458	1.6
351.95892	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	329.1017
Annotation	Perseal C
Peak:m/z	Relative Intensity
55.05497	0.7
57.07088	0.7
65.03917	0.8
67.05167	0.8
67.05506	10.9
69.07043	1.2
70.11472	1.1
70.11869	0.7
79.05488	2.4
81.07061	3.1
85.06554	0.5
91.05478	1.0
93.07038	1.0
95.04976	5.3
95.08598	2.6
98.21283	1.0
98.98466	37.3
107.04967	1.2
109.02859	0.5
109.10176	1.2
111.11703	0.6
116.99503	0.6
119.04951	3.6
121.02874	3.9
121.10126	0.6
123.11710	0.8
135.04416	11.3
150.03157	0.5
153.05469	1.0
163.03915	6.2
168.04167	1.4
173.13219	0.5
174.99261	2.7
176.98920	1.1
181.04970	8.2
182.07265	0.5
193.04977	1.1
207.08076	0.9
225.09093	0.6
239.07124	1.2
240.07822	0.8
253.08495	1.1
267.06479	7.7
268.07260	8.1
269.08023	0.8
281.08087	37.3
282.08472	1.2
283.09589	0.7
295.06036	1.9
296.06766	10.3
311.09128	100.0
312.09467	1.7
326.04535	0.5
329.13885	0.6
329.24762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.29146	0.2
55.05486	0.8
57.07043	0.5
60.42253	0.2
66.83851	0.2
67.05510	1.2
69.03428	0.3
69.07075	1.4
71.08633	0.3
75.37937	0.2
79.05463	0.7
81.03404	0.3
81.06638	0.3
81.07052	3.1
83.08584	0.8
85.06522	0.3
91.05455	0.7
93.07024	0.6
94.04171	0.2
95.04939	0.7
95.08627	1.9
95.60268	0.2
97.10161	0.5
98.20641	0.4
98.98467	23.9
99.08091	0.3
100.98849	0.4
107.04922	1.0
107.08607	1.1
109.10130	1.3
111.08022	0.4
111.11715	0.4
116.99477	0.7
119.08570	0.3
121.02869	5.1
121.10165	0.4
122.03607	0.3
123.11707	0.8
124.05190	0.2
134.03621	0.3
136.05225	0.8
137.13231	0.9
139.47449	0.2
149.13252	0.5
150.03064	0.2
151.03851	0.5
152.04683	0.3
155.14348	0.3
160.14885	0.3
163.14835	0.3
164.04684	0.4
165.05455	1.0
165.06804	0.3
167.03394	0.7
167.07028	0.4
167.14311	0.3
174.99236	1.6
176.98882	0.8
179.03366	0.5
181.05034	0.4
183.07793	0.2
183.72842	0.2
192.04190	0.9
193.04907	0.4
195.06479	0.5
195.08078	0.3
195.81587	0.2
197.06017	0.4
211.07523	0.3
212.08261	0.8
215.03329	0.5
220.42342	0.2
225.05486	0.5
239.07076	0.4
240.07799	1.0
241.08504	1.1
243.06548	1.5
252.99806	0.3
253.04851	0.3
257.08051	2.1
258.08685	0.3
267.06506	0.5
267.09042	0.2
268.07263	1.0
269.08084	0.8
271.06030	5.2
281.28455	0.3
285.07507	2.5
285.10159	0.5
286.08301	5.2
293.28271	0.4
296.06656	0.3
297.07620	1.5
299.05591	1.2
313.07059	18.9
313.53436	0.2
314.07843	36.8
315.08224	0.8
329.10196	100.0
330.10535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73365	0.3
53.03942	1.5
55.13085	0.2
56.96556	0.4
59.88907	0.3
69.03439	2.4
71.51604	0.4
72.41043	0.3
73.06548	0.3
81.03422	3.2
85.02904	2.4
91.05504	0.6
93.07053	1.4
97.02899	4.1
98.98467	36.4
99.04452	1.0
99.98814	0.3
103.05465	6.1
103.07668	0.4
109.02885	4.0
110.06021	0.3
113.05966	0.3
116.99486	0.8
120.08107	100.0
121.08426	1.1
121.12688	0.3
124.03975	0.3
125.46185	0.3
127.03906	4.2
129.83206	0.3
131.04997	0.4
138.05492	0.5
143.67039	0.3
148.07639	0.8
153.01823	1.5
155.03580	0.4
156.37984	0.3
157.04997	0.8
166.05011	0.6
166.07253	0.9
166.08627	6.4
173.04443	0.5
174.31091	0.3
174.99223	3.1
175.05940	0.4
176.98944	1.4
184.09621	0.5
193.07114	0.8
202.10782	0.6
208.09825	0.4
246.11194	0.4
247.04706	0.8
264.12274	0.5
274.10687	0.5
282.13321	0.5
292.11722	2.7
310.12875	1.3
328.13812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
54.06168	0.3
54.80158	0.2
55.01866	0.4
57.03428	0.3
57.07086	0.4
59.05002	0.7
60.83315	0.3
67.05511	0.4
69.03434	2.4
69.07079	0.5
71.05004	0.3
71.35617	0.3
71.56907	0.5
72.04520	0.5
73.02917	0.8
73.06551	0.3
81.03419	5.2
83.04985	0.7
85.02915	3.5
85.06561	0.4
87.04494	0.3
89.06019	0.3
90.05548	0.5
91.05501	1.1
93.07039	2.0
95.04966	0.8
96.08141	0.3
97.02902	2.6
98.02415	0.9
98.98470	35.1
99.04453	1.0
100.03966	0.3
102.61727	0.3
103.05476	7.0
103.97333	0.3
107.04960	0.7
109.02879	8.3
116.03438	0.6
116.99487	0.4
120.08109	100.0
120.16829	0.3
121.08462	0.9
124.07597	1.6
127.03926	3.7
130.06473	0.3
131.04900	0.4
132.08102	1.0
138.05547	0.4
142.08679	0.7
145.05005	0.6
157.04944	0.7
166.08647	6.1
166.12134	0.3
172.09657	0.5
173.04417	0.8
174.99243	2.7
175.05948	0.3
175.99611	0.6
176.98981	0.8
178.08861	0.3
184.09697	1.8
197.50797	0.2
198.07578	0.5
202.10759	4.8
208.09705	0.5
264.12302	1.2
274.10739	0.6
282.13425	0.5
292.11789	2.9
310.12823	3.9
328.13892	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77265	0.5
54.07535	0.5
55.05506	1.9
57.03146	0.5
57.10431	0.6
58.32353	0.6
67.05505	3.9
69.07066	1.7
70.63803	0.8
70.64123	1.1
79.05482	2.7
81.07058	5.4
83.08625	0.6
91.05498	2.4
93.07042	2.3
95.04977	0.8
95.08620	2.3
97.06522	0.7
98.09727	0.9
98.21195	1.2
98.98474	100.0
100.98921	0.8
105.07057	1.7
107.08607	1.6
109.06507	0.6
109.10206	0.7
111.08120	0.5
116.99525	2.2
117.07050	1.4
117.68063	0.6
119.08595	1.9
121.10189	1.1
123.08105	0.7
131.08546	0.6
133.10149	2.3
135.07979	0.6
135.11728	1.0
140.01060	0.6
143.80617	0.6
145.10204	0.8
147.11699	1.2
149.13216	0.6
159.11748	0.7
163.11200	0.7
174.99228	7.9
175.99568	0.9
176.98935	3.3
181.12273	0.8
195.13835	1.1
258.04962	1.1
275.20090	1.2
324.62717	0.6
327.69998	0.7
328.09079	2.3
328.15848	0.6
329.20929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.1
66.02908	0.9
67.05505	7.1
69.03393	1.0
69.07075	5.6
69.24127	9.0
71.04990	0.9
79.05471	3.8
81.03423	1.2
81.07056	9.2
83.08612	1.4
84.15823	1.1
91.05471	4.1
93.07050	4.7
95.08578	3.3
97.06522	1.7
98.09686	2.0
98.21471	1.7
98.98467	100.0
100.98892	1.0
105.07022	3.2
107.08600	1.9
109.06539	0.9
109.10133	2.5
112.57384	0.9
116.99500	2.8
117.07000	1.3
119.08557	3.5
123.08116	1.1
123.11710	0.9
131.08580	1.9
133.10106	3.1
135.11673	3.5
140.01089	1.2
140.66335	0.9
141.07065	1.0
141.96304	0.8
145.10117	1.3
147.11732	1.7
159.11685	1.8
174.99242	7.4
175.99414	1.1
176.98903	3.6
181.12306	1.3
232.22984	1.0
256.17462	0.9
275.20001	2.9
328.09042	1.9
328.19266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14633	0.9
54.83475	0.9
55.01879	2.4
55.05260	1.4
55.05512	23.8
65.26698	1.0
67.05508	7.8
69.03426	3.6
69.07070	6.2
70.09789	3.2
79.05498	12.8
81.07060	7.1
83.04991	1.7
83.08622	17.6
91.05481	6.7
93.06539	0.9
93.07022	5.5
95.08617	3.3
97.10171	35.2
98.21132	2.5
98.52146	0.9
98.98469	100.0
105.07032	5.3
107.08602	34.8
109.06544	1.3
109.10168	1.3
117.07081	1.4
119.08598	3.2
121.10147	1.9
125.09630	26.2
131.08588	1.3
133.10135	2.7
135.07982	2.4
137.06017	1.9
140.01099	1.1
143.10670	2.0
145.10127	3.4
147.11690	2.7
149.09660	1.8
151.07553	2.0
152.07895	1.8
153.09117	2.2
159.11717	0.9
165.74554	1.0
171.10213	3.3
174.99248	8.1
176.98943	2.8
181.12292	1.5
189.11223	41.0
239.18048	1.7
257.18982	3.7
275.20068	30.8
293.21182	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97817	0.6
55.05503	2.5
67.05502	5.8
69.07076	3.6
69.49181	2.5
69.49612	2.9
69.58592	0.6
79.05503	4.7
81.07053	8.0
83.04994	1.0
83.08620	1.2
91.05488	4.1
93.07044	4.6
95.04953	1.5
95.08610	3.1
97.06549	1.0
98.09700	2.4
98.21040	2.9
98.98466	100.0
103.02092	0.7
105.07064	3.4
107.08594	3.9
109.06526	0.7
109.10135	0.9
111.08057	1.0
116.99487	2.4
119.08611	2.1
123.11709	0.9
131.08595	0.9
133.10126	2.3
135.07980	0.7
135.11729	2.1
140.01085	1.5
145.10126	1.3
147.11720	1.6
149.09598	1.0
159.11646	1.2
174.99248	7.0
175.99438	1.0
176.98918	2.1
181.12202	1.9
195.13814	1.5
252.99725	0.8
275.20084	2.5
328.08899	1.0
328.19424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28942	0.2
52.79166	0.2
53.03942	0.5
55.01869	0.6
55.05511	0.3
56.96568	2.1
57.03439	1.5
61.02930	1.8
67.05514	0.3
69.03431	5.6
70.06583	0.3
70.81979	0.5
71.04975	0.7
71.95278	0.3
73.02914	1.0
81.03432	3.0
83.01349	0.3
83.04984	0.8
85.02908	10.8
87.04483	1.3
91.03946	0.7
97.02894	4.3
98.21019	0.3
98.74447	0.2
98.97604	2.1
98.98469	12.6
99.04456	0.9
101.00900	0.3
103.03867	0.2
106.38908	0.2
109.02911	1.2
110.97530	0.4
113.02319	0.2
115.03966	0.2
116.07145	0.2
116.41366	0.2
116.98647	1.2
116.99496	0.3
118.59597	0.2
119.01900	0.4
119.03555	0.9
120.08111	1.6
121.05122	5.4
127.03934	2.3
128.98636	0.4
131.01894	0.4
132.01936	0.3
134.06015	0.3
138.05499	0.9
143.01909	0.3
145.03569	0.3
145.04959	1.4
146.08073	0.3
146.99689	0.4
148.06206	3.0
148.07486	0.5
149.08122	0.3
150.05508	1.1
152.07162	0.3
153.01849	0.8
157.03458	0.4
158.99632	0.6
161.01228	0.3
161.02939	0.4
166.07256	100.0
167.07568	0.5
168.98116	0.5
172.04633	0.2
172.94330	0.5
173.01189	0.4
173.02930	0.3
174.03654	0.4
174.99174	1.0
176.99107	0.3
183.04163	0.3
190.95450	0.9
193.07262	0.2
194.07486	0.3
200.41182	0.3
208.96472	0.2
219.01837	0.6
221.05067	0.3
232.96457	1.3
237.02850	0.5
246.57210	0.4
247.06546	0.5
250.97597	0.6
257.00769	0.3
259.02444	0.4
277.03442	1.0
303.01425	1.9
304.01840	0.3
310.08902	0.4
328.12640	6.3
346.04868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03948	1.7
53.37872	0.4
55.01869	1.1
57.03436	2.9
59.12896	0.5
61.02930	3.3
63.46918	0.4
67.05494	0.9
69.03069	0.8
69.03431	11.7
69.41605	2.9
71.04976	1.4
73.02916	1.8
78.03451	3.8
80.05015	1.7
81.03414	8.2
83.01350	0.6
83.12089	0.4
85.02904	27.3
87.04453	1.4
91.03966	1.2
95.04964	0.4
95.08590	1.4
96.04503	2.5
97.02893	9.8
98.20788	0.9
98.21449	0.7
98.98464	27.2
99.04448	2.8
101.84126	0.4
104.04998	0.9
106.02918	21.3
109.02880	7.0
110.09631	0.5
116.99470	0.5
119.08628	0.5
120.08122	0.6
124.03954	71.6
127.03909	7.9
137.75360	0.4
138.05534	0.7
138.09093	3.4
145.04964	4.9
148.02158	75.7
148.07544	1.1
149.02455	0.7
166.03226	100.0
166.08629	6.3
166.12317	0.7
167.03560	1.1
174.99199	1.9
176.98938	0.5
180.04800	0.5
184.09727	0.7
184.40335	0.4
185.42097	0.5
189.04802	0.5
196.06071	0.5
196.39655	0.4
198.72430	0.3
232.06129	1.0
250.07108	12.9
268.08182	9.5
315.18234	0.4
328.08472	1.9
328.13831	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03936	2.8
55.01874	1.1
55.05519	4.9
57.07067	2.5
59.04985	0.7
67.05510	11.0
69.07070	3.7
77.03968	0.9
79.05492	7.2
81.03417	1.7
81.07063	9.7
83.04978	1.0
83.08614	2.6
85.06524	1.2
91.05482	13.4
93.07053	22.3
95.04971	27.3
95.08613	16.9
97.06554	6.9
97.10168	1.2
98.20564	1.4
98.21092	4.9
98.30095	0.7
98.98470	100.0
103.05443	4.7
105.04527	1.3
105.07035	20.3
107.04948	0.9
107.08596	11.7
109.06532	4.4
109.10165	8.5
115.05456	2.8
116.06297	0.7
116.99513	2.1
117.07054	7.0
119.04957	1.1
119.08590	22.5
121.06528	6.5
121.10144	11.0
123.08081	1.8
123.11710	3.2
128.06232	3.4
129.07028	3.2
130.07793	2.3
131.04935	1.4
131.08566	8.9
133.06509	1.2
133.10130	13.4
135.08090	2.3
135.11693	2.9
137.06018	4.2
137.09587	2.3
140.01082	1.3
141.06998	1.5
142.07793	3.7
143.08543	8.5
144.09361	2.4
145.06502	1.6
145.10133	12.7
147.08083	1.0
147.11687	5.6
149.09576	1.8
151.07576	2.8
152.06226	5.8
153.01837	2.0
153.05510	2.6
153.07022	3.5
155.08586	2.1
156.09361	2.3
157.10146	10.9
159.08043	2.0
159.11682	13.5
161.09666	4.5
161.13298	2.8
163.07510	1.2
163.11214	0.8
167.08603	0.8
168.05698	1.4
168.09494	0.8
169.10205	4.7
170.10951	1.3
171.08035	4.0
171.11652	5.3
172.12531	1.0
173.09625	1.6
173.13225	5.2
174.99232	13.3
175.14845	5.3
179.08537	1.5
180.09431	0.9
181.10155	2.7
182.10889	1.7
183.11719	3.3
184.12483	1.0
185.13266	3.2
187.11211	2.6
187.14804	4.6
188.08325	3.0
189.12715	1.4
189.16324	1.3
193.10123	0.9
195.11774	2.3
197.13318	4.0
199.14854	3.2
201.12801	0.9
201.16461	1.7
203.10611	4.1
205.04979	1.8
206.10950	0.8
207.11681	1.6
209.13266	2.6
209.25063	1.0
211.14819	2.8
213.16431	1.9
215.02631	1.4
215.14342	1.0
217.15926	1.1
225.16469	1.7
226.17305	0.8
227.14337	1.4
228.09511	1.3
233.03688	4.7
235.14821	1.4
239.17982	1.4
251.04741	2.5
253.15848	1.8
281.22617	1.1
291.21246	1.4
309.22144	2.3
327.07870	18.6
327.16226	4.3
327.19550	2.4
327.23022	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03948	0.7
54.75502	0.5
55.01866	1.0
55.05518	2.4
57.07079	1.2
66.04726	0.6
67.05499	4.1
67.75204	0.5
69.03422	1.0
69.07075	5.5
71.17436	1.3
79.05490	3.6
81.03416	1.5
81.07059	13.3
83.08614	2.2
85.02940	0.5
85.06541	6.0
91.05487	5.2
93.07057	5.9
94.04189	2.5
95.04958	1.0
95.08618	9.0
96.76614	0.6
97.10192	1.1
98.98470	100.0
99.08103	3.1
103.05471	14.8
105.07040	9.2
107.04972	3.1
107.08609	5.9
109.02935	0.8
109.06534	2.8
109.10169	6.8
111.08080	2.1
111.11739	0.8
115.05466	1.6
116.99513	2.8
117.07025	2.0
119.04951	1.3
119.08594	2.2
121.06503	6.2
121.10157	2.3
122.03658	5.7
123.04465	0.7
123.08097	1.9
123.11713	4.4
125.09684	0.8
129.07013	1.0
131.04938	17.3
131.08653	0.6
132.70280	0.5
133.06499	25.1
133.10126	0.7
135.08061	9.2
135.11726	1.5
136.05164	0.8
137.05981	84.9
137.13242	1.3
138.06351	0.7
143.04959	1.3
143.08485	0.6
145.06485	5.9
145.10173	0.7
147.04399	0.7
147.08096	2.1
147.11726	0.6
149.05974	1.9
149.13272	3.3
151.03957	1.2
151.07555	11.2
151.14868	0.7
157.06503	1.6
162.06796	1.0
163.07549	39.9
163.14842	1.6
164.07936	0.7
165.07048	0.6
165.09149	1.5
167.14372	0.7
171.08063	1.0
171.13765	0.8
174.99229	13.4
175.07547	3.1
177.09120	1.0
179.08521	1.1
179.56407	0.6
187.07516	1.0
187.45366	0.7
189.09109	2.1
202.07761	0.8
203.10735	1.3
207.08051	1.5
217.10020	0.8
220.08803	1.1
223.07516	0.8
224.08368	0.9
235.07509	1.5
235.11235	1.4
240.07683	0.7
245.09622	1.6
249.09134	0.8
251.00038	1.5
253.08574	1.2
263.10690	2.9
267.10168	1.1
273.25824	0.6
277.08670	1.1
279.26794	0.6
291.26877	1.3
295.09967	1.1
295.13245	9.1
299.12875	0.8
301.96585	0.6
309.27802	1.9
312.13547	1.0
327.12241	4.7
327.15945	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1955
Annotation	Malabaricone A
Peak:m/z	Relative Intensity
50.61195	0.6
52.90636	0.6
53.03941	1.2
55.05513	2.9
57.07076	1.6
58.05080	0.6
65.03925	1.2
67.05506	19.1
68.99780	3.4
69.07066	2.2
69.45756	1.8
69.46187	3.3
72.08154	2.8
79.05494	10.4
80.95695	0.6
81.07059	11.9
83.08607	0.6
91.05490	13.6
93.07043	9.2
95.04965	5.9
95.08604	5.7
98.98470	100.0
105.07026	11.3
107.04967	1.9
107.08576	4.5
109.10172	5.4
111.04421	0.7
115.05435	1.0
116.99503	2.5
117.07017	9.9
119.08580	8.7
121.10166	4.7
123.04436	6.4
123.11712	1.5
125.05991	1.0
129.07030	2.1
130.07780	1.3
131.08572	13.8
133.10152	6.4
134.10483	1.0
135.11711	1.0
137.05998	4.4
137.13289	0.7
139.03889	4.5
141.05443	7.6
143.08560	1.9
145.06497	0.8
145.10133	19.4
147.04385	1.2
147.11641	1.6
149.06001	0.9
149.13272	3.1
151.03954	0.9
151.07532	2.4
153.05470	93.9
155.08562	0.9
157.10138	0.9
159.11713	4.2
161.13269	9.5
163.03920	1.6
163.07545	2.0
163.14899	1.3
165.05486	1.1
167.07091	3.3
169.10162	0.9
174.99261	11.8
175.14856	1.7
176.55391	0.6
177.05495	10.2
177.09067	0.6
179.07059	6.3
181.08569	1.6
183.11742	0.7
185.16945	0.7
187.14827	33.8
189.09190	0.9
191.07083	4.0
191.10760	0.9
193.08627	0.7
193.97890	0.6
195.10197	0.8
197.06085	1.1
201.05492	0.7
201.09300	0.7
203.07045	2.4
204.07877	0.8
205.08611	9.1
206.90337	0.6
207.10187	1.1
211.07518	1.2
215.07138	1.7
216.07887	1.5
217.08592	10.1
219.10104	5.0
221.09700	0.8
225.09064	0.7
227.07124	1.8
229.08679	3.2
230.09430	2.0
231.10109	2.9
239.10748	1.2
243.10179	11.5
244.10951	1.9
245.11765	2.7
251.00069	2.3
256.11020	0.8
257.04459	0.7
257.11557	3.4
258.12436	0.9
259.13196	3.8
269.11682	0.7
271.13333	4.0
281.22623	0.6
285.14795	1.5
295.16891	1.0
299.16428	1.9
310.31049	1.9
327.08820	1.6
327.19553	81.1
327.33691	1.9
328.19882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1229
Annotation	1-O-Methylglobuxanthone
Peak:m/z	Relative Intensity
53.03945	0.5
55.01871	1.5
55.05511	1.3
57.07063	0.8
57.96880	0.6
58.65476	0.4
65.03935	1.6
67.05511	2.1
67.88182	0.4
68.81506	0.5
69.03418	1.1
69.07072	2.7
70.86462	0.9
70.86789	0.6
73.31319	0.4
77.01625	0.5
79.05492	1.4
79.15375	0.4
81.03423	0.9
81.07056	4.4
83.08581	0.9
85.06572	0.7
91.05491	1.9
93.03387	0.5
93.07056	2.4
95.04991	1.1
95.08612	4.4
96.02120	1.1
97.06554	0.6
97.10164	0.6
98.98470	100.0
99.83743	0.4
103.05460	0.7
105.07039	1.2
107.01306	0.7
107.04971	2.8
107.08596	1.8
109.02898	0.7
109.06480	0.9
109.10168	2.0
111.04440	6.5
111.08063	0.7
115.05485	1.1
116.99506	2.3
119.04953	0.6
119.08576	1.2
120.31478	0.4
121.02872	7.9
121.03757	0.8
121.06479	0.9
121.10155	1.7
122.03685	0.6
123.04404	0.9
123.11736	1.4
128.06267	1.0
129.06993	1.3
130.83720	0.5
131.04939	1.2
133.06462	0.6
133.10146	0.6
135.11717	1.1
137.06000	6.9
137.09644	0.7
137.13280	0.8
139.03906	2.9
141.06975	1.1
142.02670	0.5
143.04921	0.7
144.05698	1.0
145.06483	2.0
147.08096	0.7
147.11758	0.5
149.02415	1.0
149.13177	0.7
151.03886	2.7
151.07553	0.9
152.06223	1.3
153.05544	0.8
153.07005	2.4
154.07814	0.6
155.08569	0.8
157.06461	0.6
159.08098	1.4
160.08833	0.7
161.05995	1.3
161.09663	0.7
161.13293	0.7
162.06757	0.5
163.07555	0.9
165.06975	2.6
165.09106	0.7
166.07741	1.2
167.03421	1.5
167.08591	1.7
168.05792	0.5
169.06517	1.5
169.10184	0.6
171.08061	0.5
174.97731	0.6
174.99229	11.0
175.04037	0.5
175.07581	1.6
178.07764	3.3
179.08524	2.6
181.06459	4.1
182.07292	2.7
183.08060	1.7
184.08862	0.7
185.09576	0.6
187.07581	1.2
188.08307	2.3
189.07080	1.1
190.07822	0.5
191.08583	0.7
194.07344	1.4
195.08122	4.1
196.08844	1.2
197.06046	3.6
197.09630	1.1
198.06783	0.9
199.07530	0.6
202.07793	1.2
203.06920	0.6
203.08595	1.1
205.06557	1.1
206.07315	1.6
207.08052	4.2
208.08797	0.7
209.06076	1.3
209.09610	1.0
210.06752	5.9
211.07570	3.0
211.11171	1.3
212.08362	1.6
213.05515	0.9
213.09143	1.9
215.06989	0.6
217.06561	0.7
218.07349	0.9
219.08040	0.7
220.08957	0.6
221.06041	1.3
221.09674	2.6
222.06789	1.4
222.10307	0.5
223.07523	6.0
224.08339	3.5
225.05496	1.0
225.09134	3.3
226.06270	0.9
227.07112	1.1
227.10643	1.0
229.08345	0.5
234.06837	2.3
235.07591	3.5
235.11095	0.6
236.08311	0.9
237.05360	1.0
237.09105	3.0
238.06250	2.8
238.09883	3.3
239.07045	5.1
239.10699	3.3
240.07823	9.8
241.08516	2.4
243.06538	2.6
247.07547	0.7
249.09155	3.3
251.00034	1.3
251.07040	2.7
252.07877	2.8
253.08626	19.6
253.12117	3.5
254.05774	0.7
254.09435	2.0
255.06476	0.7
255.10162	1.0
256.07327	0.9
256.11011	0.8
263.07077	1.1
263.10693	0.7
265.08542	1.6
266.09302	2.7
267.06958	1.0
267.10184	10.5
268.07312	3.6
268.09894	0.5
269.08087	7.2
271.13348	2.3
277.08597	4.0
280.07236	0.9
281.08499	4.1
281.11206	4.0
282.08905	1.2
283.09659	4.7
284.10428	3.6
286.08310	1.5
294.08853	1.4
295.09622	5.7
296.10449	3.8
297.11160	1.1
299.09207	2.5
299.12796	9.6
309.11240	2.7
312.09961	2.0
327.12268	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.75337	0.4
53.03937	0.9
55.01871	1.3
55.05496	1.0
55.90352	0.4
57.03424	0.4
61.83937	0.5
65.03935	1.0
67.05502	1.8
69.03447	1.0
69.07070	1.6
71.48090	0.5
71.48435	0.7
76.24289	0.4
77.01595	0.6
79.05498	3.8
81.02918	0.5
81.03411	1.5
81.07053	3.2
85.06551	0.7
91.05476	4.7
92.32395	0.4
93.07040	2.1
93.31190	0.4
94.04188	2.9
95.04955	1.4
95.08620	2.5
98.98469	100.0
103.04786	0.7
103.05479	15.3
105.03370	0.7
105.07033	8.9
107.04958	3.4
107.08565	1.0
109.02842	0.5
109.06533	2.6
109.10156	1.9
111.04449	0.5
111.08073	0.6
115.05432	1.6
116.99496	2.0
117.07023	1.6
119.04946	1.7
119.08572	1.6
121.02819	0.6
121.06514	4.8
121.10139	0.7
122.03644	5.8
122.89036	0.5
123.04419	1.1
123.08073	1.2
123.11671	0.9
125.05930	0.5
128.06226	1.1
129.07010	1.4
131.04935	18.7
133.06499	29.7
133.10092	0.4
135.08055	9.4
135.11728	0.6
136.05209	0.5
137.05981	80.9
139.03848	0.5
143.04929	1.4
143.08548	1.2
145.06476	5.9
147.04390	0.6
147.08075	0.9
149.05972	1.9
150.97249	0.4
151.03918	1.3
151.07550	10.4
153.06984	0.7
155.06052	0.6
157.06520	3.0
159.11697	0.5
160.05171	0.9
161.05948	1.0
162.06709	1.0
163.07550	40.5
165.07019	0.6
165.09126	0.9
171.08051	1.2
174.99232	13.8
175.03935	0.7
175.07623	2.3
177.09134	1.4
178.07748	0.6
179.08672	0.6
181.06485	0.6
187.07532	1.5
188.08371	0.6
189.09087	1.8
191.08594	0.6
195.07945	0.8
202.07794	0.5
203.10727	2.3
206.07249	0.7
207.08049	1.4
211.07295	0.5
215.84117	0.5
217.06480	0.5
217.10133	0.9
220.08777	1.4
223.07579	1.1
234.06812	1.4
235.07603	1.4
235.11156	1.7
237.08913	0.5
239.10637	0.6
240.07721	0.6
245.09607	1.3
248.08272	0.5
249.09056	1.0
250.99921	1.4
252.07751	0.8
253.08513	1.3
263.06973	0.5
263.10672	3.0
266.09467	0.6
267.10141	1.6
277.08649	1.3
280.07254	0.6
281.08386	0.5
283.09778	0.6
291.19354	0.5
294.08835	0.6
295.09698	1.3
295.13248	7.8
299.12723	1.4
327.01462	0.5
327.08398	1.1
327.12210	6.9
327.15891	6.9
327.19464	0.9
327.22992	0.9
327.26611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01874	0.9
67.05505	2.6
69.03432	1.5
69.07096	0.8
70.03169	1.1
70.03577	2.3
70.06590	1.0
77.03951	0.5
79.05493	3.7
81.03419	2.0
81.07060	2.0
91.05495	4.9
93.07043	1.9
94.04192	2.5
95.08614	1.8
98.21069	1.6
98.98472	100.0
103.05475	17.3
105.07039	8.6
107.04969	2.5
107.08613	1.3
109.02878	1.7
109.06522	2.8
109.10184	1.8
113.77596	0.6
115.05466	1.8
116.99510	1.9
117.07040	1.9
119.04914	1.3
119.08605	1.9
119.52817	0.7
121.06503	5.7
122.03648	6.7
123.04444	0.6
123.08028	1.0
129.07007	0.8
131.04936	18.9
133.06497	31.3
135.08063	12.3
136.05225	0.9
137.05986	86.6
137.09561	1.4
141.36334	0.6
143.04964	1.1
144.05615	0.8
145.06496	7.9
147.04425	1.2
147.08014	3.0
149.05997	1.6
151.03870	0.6
151.07552	10.8
157.06471	3.2
159.08182	0.7
161.05942	0.9
163.07553	47.1
165.07033	1.0
165.09161	1.5
171.08043	1.6
173.05913	0.9
174.99248	11.3
175.07532	2.3
177.09050	1.2
178.07680	0.9
187.07570	1.9
189.09155	2.3
197.05956	0.7
202.07765	1.1
203.10663	2.4
205.06557	0.9
206.07266	1.1
207.08060	2.1
220.08820	1.6
223.07510	0.7
235.07565	1.9
235.11162	2.6
237.05391	0.8
245.09659	1.1
248.08435	1.2
249.09138	1.4
251.00060	1.5
252.07820	1.1
263.10648	4.0
267.10141	1.4
277.08594	1.5
283.09656	0.8
295.09732	2.6
295.13275	11.4
309.11261	1.6
327.05142	3.8
327.08472	1.1
327.12140	6.4
327.15897	8.0
327.26538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01867	2.0
55.05513	6.4
57.03429	4.6
61.02927	6.3
69.03434	13.9
69.07065	1.0
69.55066	6.9
71.04981	2.3
73.02904	3.8
77.87264	1.2
81.03426	9.4
83.08620	19.2
85.02907	80.1
86.09664	1.3
87.04467	2.2
91.03973	4.8
91.05486	1.3
95.79280	1.0
97.02895	21.6
98.21466	2.3
98.98470	100.0
99.04434	3.4
100.03973	1.2
101.09660	15.0
103.71928	1.1
109.02877	15.3
115.03925	1.2
116.99525	2.5
119.08559	2.4
119.10685	1.3
119.32840	1.0
126.09174	1.2
127.03927	20.1
136.07564	2.1
137.05968	1.6
137.09564	1.6
145.04964	31.2
147.10170	2.7
153.01776	1.8
154.08650	1.8
163.05984	5.4
164.07063	2.6
174.99229	10.0
185.08981	1.1
280.72906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	1-O-Methylglobuxanthone
Peak:m/z	Relative Intensity
53.03951	0.9
54.08841	0.5
55.01884	3.0
55.05513	1.3
57.07076	0.7
58.57333	0.7
65.03929	3.5
67.05505	2.0
69.03429	0.9
69.07057	2.7
69.49086	4.3
71.04971	0.6
79.05505	1.3
81.03412	0.8
81.07063	4.8
83.04986	1.3
83.08598	0.6
85.06519	1.1
91.05479	3.6
93.03397	0.9
93.07034	1.9
95.04963	1.2
95.08606	3.7
96.02116	2.4
98.21172	2.0
98.98467	79.1
103.05453	1.0
105.07043	1.2
107.01321	0.6
107.04974	3.9
107.08604	1.8
109.10175	1.9
111.04438	13.0
111.08076	0.8
111.11727	0.7
115.05481	1.9
116.99535	1.8
117.07018	0.7
119.08599	0.7
121.02877	14.1
121.03806	0.8
121.06493	1.2
121.10132	0.7
122.03658	0.7
123.04371	0.9
123.11715	1.5
128.06273	0.9
129.06990	1.6
131.04929	1.8
133.02855	1.2
133.06500	0.8
137.02386	0.6
137.05977	8.6
137.09706	0.7
137.13234	0.9
138.62886	0.5
139.03876	5.3
141.07011	1.1
143.04961	1.2
144.05710	2.1
145.06508	3.0
147.04439	1.4
147.08054	1.3
149.02336	1.3
151.03926	1.9
151.07562	0.9
152.06218	2.2
153.05713	0.7
153.07010	2.9
154.07791	1.0
155.08591	1.3
157.06503	2.3
159.04330	0.6
159.08055	4.4
160.05151	0.7
160.08859	2.0
161.06013	2.1
161.09621	0.9
162.06801	1.7
163.07515	0.8
165.05669	1.1
165.06978	5.8
166.07829	2.1
167.03410	2.9
167.08540	3.5
168.05739	1.4
169.06421	2.9
173.05888	0.9
174.99225	10.4
175.03917	1.3
175.07555	2.6
177.05582	0.8
177.07021	1.6
178.07777	4.1
179.08592	4.3
181.06490	5.9
182.07239	4.8
183.08037	2.6
184.08836	0.8
185.05930	0.9
185.09613	1.2
187.07542	2.5
188.08272	3.3
189.07054	2.0
189.09154	1.1
190.07791	0.6
191.08568	1.4
193.06538	1.7
193.10205	0.9
194.07318	3.2
195.08057	8.4
196.05226	0.6
196.08885	2.4
197.06009	5.0
197.09636	2.4
198.06752	2.2
199.07501	1.1
202.07838	1.3
205.06500	2.6
206.07253	3.7
207.08025	5.2
208.08907	1.7
209.06000	3.2
209.09610	1.4
210.06757	10.2
211.07553	5.6
211.11172	1.6
212.08353	2.8
213.05504	0.9
213.09087	2.3
215.07098	0.7
217.06525	0.9
218.07338	1.0
219.08139	1.6
220.08789	1.0
221.06000	2.3
221.09651	5.9
222.06779	2.6
223.07533	9.5
224.08308	7.1
225.05510	2.5
225.09062	7.4
226.06227	2.2
227.07068	1.5
227.10722	1.7
234.06718	4.4
235.07574	4.9
235.11249	0.7
236.08348	1.4
237.05406	1.7
237.09068	5.1
238.06233	5.0
238.09882	6.4
239.07016	8.7
239.10605	6.0
240.07822	20.3
241.05042	0.8
241.08580	4.6
243.06480	4.7
248.08247	0.6
249.09128	6.0
250.06396	1.0
250.09886	1.1
251.00066	1.2
251.07042	4.3
252.07780	5.4
253.08629	35.1
253.12245	8.6
254.05739	0.9
254.09393	4.7
255.06497	1.7
255.10097	2.6
256.07401	1.3
256.11072	1.2
258.08878	1.2
262.06198	1.1
263.07053	1.2
265.08621	2.3
266.05750	1.0
266.09402	5.5
267.07016	1.4
267.10168	18.3
268.07370	7.0
268.10501	1.0
269.08118	12.3
271.09998	0.8
271.13278	3.3
277.08578	7.9
278.09442	0.7
279.06519	0.6
280.07346	1.0
281.08115	7.1
281.11710	6.2
282.08899	2.3
283.09653	9.0
284.10339	6.4
286.08392	2.1
294.08765	1.1
295.09644	7.1
296.10428	6.4
297.07794	1.0
297.11227	2.5
299.09174	4.2
299.12793	17.0
309.11252	4.9
312.09924	2.7
327.12259	100.0
328.12631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03942	2.5
55.01859	2.6
55.05513	18.9
57.07068	6.4
59.05000	3.2
60.39506	1.8
67.05504	32.1
69.03435	2.0
69.07069	28.7
69.39525	17.5
71.04993	22.7
71.08603	1.8
73.06613	2.6
79.05495	19.5
81.07059	100.0
83.04984	3.4
83.08611	12.8
85.06569	3.0
89.13165	2.0
91.05499	10.5
93.07053	45.9
95.04971	4.1
95.08611	71.5
97.06523	7.3
97.10168	10.1
98.21127	8.9
99.08090	4.4
105.07024	15.8
107.08593	43.7
109.06483	2.3
109.09448	3.8
109.10162	52.8
111.08087	6.5
111.11736	4.3
113.09662	3.0
119.08604	14.6
121.06496	2.0
121.10151	32.4
123.11713	32.1
125.09621	4.0
127.11207	6.3
131.08606	5.8
133.10130	9.3
135.11690	22.8
137.05984	7.3
137.13257	17.6
139.11212	3.8
141.12723	2.8
145.10172	5.6
147.11668	10.1
149.13269	33.0
150.14563	1.9
151.07501	2.8
151.11273	2.2
151.14822	3.1
153.12746	8.5
159.11684	6.0
161.13284	2.7
163.03845	2.4
163.07628	2.0
163.11226	2.9
163.14816	6.1
175.14830	4.1
177.16426	6.3
179.17882	2.5
183.08154	2.2
187.14870	2.9
189.16319	3.4
191.17921	3.8
194.07448	2.7
201.16362	3.6
203.17938	12.4
205.06584	2.8
206.07309	2.2
208.59673	2.2
221.06050	3.0
222.06796	3.7
233.09602	2.8
237.09149	4.8
239.07082	2.8
249.05409	2.5
250.06354	4.1
259.24100	3.2
265.08575	7.3
277.25327	13.2
285.83032	2.0
289.25278	4.1
293.08060	4.2
293.11325	2.5
295.26425	13.4
307.26352	17.1
325.07144	4.1
325.10678	15.1
325.14322	9.8
325.21454	4.1
325.27475	12.2
326.11099	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31252	2.1
55.05515	10.8
57.07075	3.5
61.23846	2.0
67.05498	15.2
69.07072	25.0
69.37772	9.5
69.38198	8.7
69.73882	1.9
69.79816	2.3
70.23008	2.3
71.05775	2.1
79.05486	6.7
81.07063	38.7
83.08604	7.1
83.54494	1.9
91.05480	8.1
93.07051	14.1
95.08611	69.5
97.10152	7.5
98.20932	9.4
98.21629	3.9
105.07040	20.8
107.08595	23.6
109.10154	38.0
111.11709	7.8
117.06993	5.2
119.08581	31.0
121.10159	18.0
123.11716	17.9
131.08600	13.5
133.10156	15.4
135.11710	10.6
137.13278	9.1
143.08554	3.5
144.09381	2.4
145.10117	20.9
147.11655	10.7
149.13260	8.3
159.11707	13.9
161.13289	22.3
163.14807	12.0
171.11710	2.9
171.63251	2.4
172.12466	3.0
173.13310	14.2
175.14812	10.1
177.16389	2.6
185.13257	5.8
187.14821	28.4
189.16408	9.6
191.17970	6.2
199.14850	3.0
201.16408	18.6
203.18010	6.1
215.17920	13.9
217.19478	2.4
229.19534	12.6
231.21233	2.6
241.19530	5.3
255.21034	2.5
269.22726	4.0
325.28903	100.0
342.81784	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	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22761	1.1
56.96554	1.6
61.80134	1.3
64.62262	1.1
69.65770	4.1
69.66180	4.2
91.97729	1.3
97.02903	2.0
98.21236	3.5
98.97589	3.6
98.98444	1.5
101.00861	7.1
108.13557	1.4
113.03500	2.4
116.98634	2.5
119.01131	2.4
119.01929	32.4
120.02032	5.1
121.01692	4.9
134.99817	1.5
137.02945	7.6
139.02773	1.6
142.03546	9.0
143.03693	2.2
160.04559	2.4
177.00941	16.7
178.01083	4.2
179.00798	5.9
181.00479	1.6
201.50610	1.3
217.04083	3.3
217.99132	1.5
219.02022	18.3
220.02213	3.8
221.01805	10.1
223.01508	13.1
225.01018	2.3
236.00085	5.4
238.95544	2.2
240.95399	2.0
243.01996	14.6
256.96628	20.7
257.92081	1.4
257.96658	8.2
258.96487	12.9
258.99985	1.9
259.96597	1.7
259.97464	1.8
260.00204	13.2
260.96219	2.8
261.03082	100.0
262.03165	8.5
263.02957	5.3
272.94754	2.6
274.94620	2.7
274.97797	6.8
275.04733	1.5
276.97516	3.5
278.01099	7.2
278.97180	1.5
279.00891	2.1
279.98273	3.2
283.00021	3.6
284.00128	25.7
284.04852	3.5
284.99802	7.5
285.99832	1.5
293.61108	2.7
299.28345	1.6
299.61206	2.5
299.94833	1.8
300.95282	1.5
301.00830	3.3
301.94800	1.5
302.01163	39.4
302.97238	7.6
303.00943	6.1
303.04022	1.5
304.01038	1.6
304.90280	1.3
307.28479	2.2
310.96069	4.0
311.46112	19.7
311.95990	21.7
312.46039	5.8
316.95724	3.4
317.93100	7.8
318.43387	3.9
318.93396	2.9
320.01971	1.4
320.46756	5.2
320.96790	6.1
321.46829	2.2
322.97043	2.3
323.47021	2.2
326.01569	1.9
326.93912	2.1
329.44266	4.9
329.94171	2.8
344.02209	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1646
Annotation	14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01865	6.6
55.05511	17.1
56.50410	0.9
56.96528	1.1
57.03417	3.6
58.16238	1.1
67.05233	0.9
67.05502	10.7
69.03450	1.2
69.06783	1.1
69.07077	12.8
70.74706	3.3
72.96163	1.1
73.66611	1.1
79.05499	12.1
81.03398	2.2
81.07045	13.0
83.01330	1.6
83.04964	4.0
83.08622	45.8
89.86671	1.0
91.05480	11.3
93.07041	8.3
95.04967	8.4
95.08614	5.3
97.02885	2.0
97.06525	2.4
97.36572	1.3
105.07027	8.1
107.04385	1.3
107.04962	13.7
107.08582	3.9
109.06548	7.6
109.10145	2.8
111.04568	1.3
111.08088	25.3
117.06986	3.8
119.08556	4.7
121.06490	2.4
122.07289	3.9
123.04417	1.9
125.05917	2.2
129.09119	100.0
131.08534	4.0
133.06465	4.1
133.10115	1.6
135.08009	2.4
135.11678	1.8
137.05968	16.7
137.09602	2.9
141.07005	1.7
145.06473	2.5
147.08028	4.4
151.07501	1.5
153.05489	2.2
155.07037	88.3
161.09592	2.3
163.11157	2.3
165.09108	1.2
167.06995	3.9
171.52330	1.0
175.11154	1.2
181.04965	90.7
187.11128	1.2
187.14870	2.3
191.07013	1.6
215.14323	3.1
219.13570	1.0
233.15356	9.9
265.14410	6.7
290.18701	1.5
336.22162	1.1
348.41727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27404	1.0
53.03946	1.3
55.01863	2.3
55.05507	8.7
57.03458	0.9
59.08252	0.8
61.02924	3.1
64.60748	1.0
67.01854	1.7
67.05505	8.3
68.99780	1.9
69.03428	2.2
69.07067	23.2
70.62323	2.7
71.58278	1.0
73.22047	0.8
79.05494	7.5
81.07069	11.9
83.04966	3.1
83.08612	1.3
85.06580	1.0
91.05479	2.3
93.07043	13.8
95.05000	1.4
95.08607	9.9
97.02901	1.4
97.06541	5.4
97.10166	6.6
98.21119	1.7
99.04456	1.3
105.07046	1.6
107.08592	1.6
109.10168	2.5
111.11719	3.6
115.51431	1.1
119.08558	1.2
121.10143	15.2
123.04388	1.8
127.03917	45.4
131.08582	1.8
134.38148	1.0
139.03894	8.6
139.10072	2.0
139.11180	49.2
153.01831	100.0
153.05443	3.1
154.02103	1.4
155.03436	1.4
157.12245	66.9
159.11632	1.2
163.03915	1.3
163.14906	0.9
165.05530	0.9
167.07170	1.0
171.02861	3.3
173.11807	1.6
181.04974	5.2
183.46390	1.0
217.14342	4.5
246.58934	1.0
265.14319	5.9
325.21585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86821	1.0
55.01877	2.1
55.05257	1.0
55.05511	9.0
57.03442	1.7
61.02919	2.3
62.08664	1.0
67.01864	2.8
67.05510	6.8
68.99786	1.5
69.03407	2.6
69.07069	20.6
79.05481	5.2
81.07063	11.7
83.04969	2.9
83.08636	1.2
91.05466	2.6
93.07050	11.8
95.04971	1.5
95.08622	7.4
97.02921	1.2
97.06535	5.0
97.10166	5.6
97.81847	0.8
98.21361	4.5
105.07027	2.0
107.08572	2.3
109.10142	3.9
111.00782	1.4
111.11691	4.8
119.08581	1.7
121.10144	15.7
123.04402	1.3
127.03921	40.8
131.08546	1.4
137.06004	1.5
137.09660	1.0
139.03912	8.1
139.11180	43.6
149.09496	1.2
153.01831	100.0
153.05412	2.2
155.03424	1.4
157.12248	65.7
162.35541	1.0
163.03926	2.0
165.05460	0.9
165.88109	0.9
171.02940	2.1
171.11642	1.0
171.79143	1.0
181.04929	4.3
191.06984	1.3
195.06491	1.1
217.14308	5.7
265.14432	5.7
266.35382	1.1
325.17917	1.5
325.21777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1647
Annotation	Eremofortin D
Peak:m/z	Relative Intensity
51.15079	0.7
55.01865	2.4
55.05270	0.8
55.05517	15.9
57.07068	2.6
67.01876	1.8
67.05519	5.1
68.99809	1.3
69.03430	3.0
69.07075	4.7
69.58407	4.6
70.06586	0.9
79.05486	4.2
80.27503	0.8
80.90537	0.8
81.03405	2.1
81.07060	6.5
83.04974	2.4
83.08627	9.7
91.05482	2.4
93.07043	2.5
95.04964	1.8
95.08596	2.3
97.10180	26.8
98.21315	2.5
105.07027	1.8
107.08600	5.5
109.02909	1.0
109.06481	1.2
111.04376	1.3
113.06049	1.0
119.08546	1.0
123.04428	3.3
124.01578	1.0
125.09641	38.5
126.03151	0.9
129.06931	0.9
131.08519	1.6
133.06468	1.1
135.11707	1.2
137.05963	2.2
139.03893	3.5
141.05479	93.4
143.10683	69.6
145.10017	0.9
149.02328	3.3
151.07574	1.5
152.01083	2.1
153.05473	13.2
155.07045	1.3
167.03416	100.0
167.07106	2.9
169.05049	1.2
170.02095	2.6
177.05511	4.8
179.07002	2.3
181.04984	2.4
183.06529	1.3
191.06995	1.9
193.04953	5.8
195.06534	2.7
203.12810	4.9
210.64073	1.7
224.65697	1.5
247.13202	1.4
265.14386	6.4
283.15308	1.8
307.22525	1.2
325.17737	3.1
325.22012	1.7
325.26080	11.8
325.76199	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	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03954	0.6
55.01869	0.5
56.76159	0.3
56.96572	3.9
57.03435	0.9
61.02926	1.0
63.17548	0.3
69.03435	2.8
69.07072	0.4
70.06577	0.5
70.90217	0.7
71.05016	0.4
73.02904	1.7
76.02272	0.4
81.03427	1.1
83.04977	0.6
84.96053	0.5
85.02917	5.5
86.09705	1.2
87.04448	0.6
87.10043	0.4
91.05490	0.9
95.04966	0.4
95.08632	0.3
97.02885	2.5
98.21118	0.4
98.97601	2.8
99.04475	0.8
109.02891	1.0
110.97571	1.1
112.07565	0.3
112.99146	0.4
116.77180	0.3
116.98635	2.0
117.05614	0.6
118.06556	3.8
119.01953	0.7
119.04954	0.4
127.03927	1.7
128.98636	1.6
131.00229	0.6
133.07619	4.0
134.99680	0.8
135.21805	0.3
139.03897	0.6
143.01949	1.0
145.07617	100.0
146.06094	0.4
146.08440	1.9
146.99635	1.1
147.09174	0.6
149.01305	0.4
149.03030	0.4
153.01834	4.6
155.01976	0.4
157.03468	0.4
158.99701	0.5
161.01225	0.4
161.02969	0.8
163.05045	18.2
163.08678	56.7
164.07066	0.6
170.99655	1.3
173.02994	0.6
175.04697	0.4
177.00684	0.6
185.01224	0.6
187.04506	0.5
189.00719	1.8
191.02240	0.6
203.02263	0.7
204.48712	0.4
219.01866	1.0
229.00240	2.4
237.02708	0.9
273.25549	0.3
310.05054	0.4
325.10605	3.2
325.13950	70.3
326.14078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.05510	13.8
57.03439	4.4
58.66793	1.9
59.04993	4.4
69.03430	19.5
70.22817	1.8
70.93902	1.6
71.56635	2.8
73.06560	100.0
79.05494	2.5
81.03428	10.2
81.07047	2.1
83.04984	9.8
85.02094	2.1
85.02906	36.8
91.05475	2.1
97.02891	28.4
99.04454	2.9
101.06018	16.1
101.12505	1.9
105.06960	2.0
107.04943	5.5
109.02890	9.0
119.07073	8.7
121.02862	7.3
127.03909	22.4
130.06468	2.8
135.04449	3.2
145.04980	13.9
151.22978	1.9
153.01785	2.2
162.05548	11.8
163.03929	35.1
163.05908	16.1
163.08707	3.6
163.69257	1.9
165.06863	1.8
173.02933	2.6
174.03702	6.0
199.09615	2.8
219.03539	4.8
241.13638	2.0
245.10234	3.1
307.12799	2.4
308.05820	6.6
314.89435	2.0
325.13959	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	325.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.05510	13.8
57.03439	4.4
58.66793	1.9
59.04993	4.4
69.03430	19.5
70.22817	1.8
70.93902	1.6
71.56635	2.8
73.06560	100.0
79.05494	2.5
81.03428	10.2
81.07047	2.1
83.04984	9.8
85.02094	2.1
85.02906	36.8
91.05475	2.1
97.02891	28.4
99.04454	2.9
101.06018	16.1
101.12505	1.9
105.06960	2.0
107.04943	5.5
109.02890	9.0
119.07073	8.7
121.02862	7.3
127.03909	22.4
130.06468	2.8
135.04449	3.2
145.04980	13.9
151.22978	1.9
153.01785	2.2
162.05548	11.8
163.03929	35.1
163.05908	16.1
163.08707	3.6
163.69257	1.9
165.06863	1.8
173.02933	2.6
174.03702	6.0
199.09615	2.8
219.03539	4.8
241.13638	2.0
245.10234	3.1
307.12799	2.4
308.05820	6.6
314.89435	2.0
325.13959	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	325.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.05510	13.8
57.03439	4.4
58.66793	1.9
59.04993	4.4
69.03430	19.5
70.22817	1.8
70.93902	1.6
71.56635	2.8
73.06560	100.0
79.05494	2.5
81.03428	10.2
81.07047	2.1
83.04984	9.8
85.02094	2.1
85.02906	36.8
91.05475	2.1
97.02891	28.4
99.04454	2.9
101.06018	16.1
101.12505	1.9
105.06960	2.0
107.04943	5.5
109.02890	9.0
119.07073	8.7
121.02862	7.3
127.03909	22.4
130.06468	2.8
135.04449	3.2
145.04980	13.9
151.22978	1.9
153.01785	2.2
162.05548	11.8
163.03929	35.1
163.05908	16.1
163.08707	3.6
163.69257	1.9
165.06863	1.8
173.02933	2.6
174.03702	6.0
199.09615	2.8
219.03539	4.8
241.13638	2.0
245.10234	3.1
307.12799	2.4
308.05820	6.6
314.89435	2.0
325.13959	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	324.1654
Annotation	Pro Ala His
Peak:m/z	Relative Intensity
57.03425	0.8
58.06600	11.8
59.13416	0.3
61.02914	0.9
67.01224	0.3
69.03438	2.0
72.08150	0.5
73.02914	0.7
85.02903	1.9
87.04498	0.7
88.07629	6.1
96.31617	0.3
97.02879	1.2
99.04456	0.4
108.49079	0.3
118.08651	0.5
127.03912	0.8
144.10201	0.7
162.11249	40.2
163.11685	0.4
191.94418	0.3
324.16516	100.0
325.16809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01875	11.8
56.96565	8.2
57.03442	15.2
58.06600	4.0
59.06924	1.8
61.02935	13.7
69.03073	3.2
69.03435	45.8
70.92918	5.0
71.04989	4.8
72.56133	1.9
72.62087	2.2
73.02921	13.2
76.10233	2.1
79.01861	2.2
81.03415	11.9
85.02908	100.0
86.03249	3.0
88.07624	2.6
91.03944	3.2
97.02897	36.6
98.21284	2.4
98.97565	10.1
99.04480	12.0
101.02352	5.6
105.03411	2.7
109.02879	8.5
115.03920	5.2
116.98611	2.8
119.01876	6.9
123.88890	2.3
127.03923	56.4
128.98636	2.8
131.01895	2.8
140.71387	2.0
145.01721	3.7
145.03404	2.8
145.03819	3.5
145.04964	32.6
145.07620	10.1
146.99632	3.5
153.01833	26.8
154.03813	3.8
154.04893	3.7
158.99689	3.0
161.01256	2.0
161.02942	5.2
162.11270	14.9
163.02751	7.7
163.04367	14.1
163.08723	4.8
163.11633	15.5
173.02953	4.1
174.55969	2.0
175.02710	2.1
183.02263	2.2
189.00584	3.0
200.04388	3.1
213.03394	4.2
219.01691	4.0
223.04552	5.3
229.32211	2.7
235.04510	2.4
235.06593	13.9
235.56694	3.0
244.07057	11.6
297.51410	2.3
307.08954	3.0
325.07587	3.0
325.13779	9.7
325.16879	58.8
326.09100	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	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03949	1.5
57.03450	4.7
60.98129	1.0
61.02914	2.7
62.38113	0.9
69.03431	9.3
71.01328	1.7
71.04991	2.6
71.10612	1.9
71.21058	0.9
73.02911	2.0
75.04474	1.3
81.03426	2.2
81.75845	1.1
85.02897	5.3
89.39660	0.9
91.05504	1.3
93.07059	1.1
99.04440	3.7
108.08115	2.2
118.06583	2.1
130.05000	2.2
132.06805	1.9
135.04431	1.7
145.02850	1.0
145.04965	1.8
145.07614	9.8
147.09180	98.0
152.14354	2.8
159.09229	2.6
163.03923	6.9
173.07195	1.5
183.70683	1.0
191.08167	100.0
263.13965	3.0
281.14999	49.6
281.18491	3.9
289.11868	1.1
307.12897	7.3
325.13956	78.9
326.14679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01877	2.2
57.03446	2.6
59.04989	0.4
61.02932	0.7
64.14645	0.2
69.03433	15.3
69.40572	1.6
69.40976	0.5
70.14362	0.2
71.01360	1.3
71.04646	0.4
71.05000	5.3
73.02902	0.7
74.31944	0.2
75.04482	0.3
79.05474	0.3
81.03423	16.4
87.04476	0.4
91.05490	1.0
93.07059	0.5
95.04977	0.3
98.20882	0.6
98.21470	0.6
99.04454	6.5
107.08601	0.4
116.04974	0.6
117.05513	1.9
118.06551	5.0
132.02388	0.3
135.08066	0.3
137.05998	0.3
138.52086	0.3
145.06549	0.6
145.07625	6.9
147.09181	9.9
148.06363	0.5
161.07021	0.4
162.07887	1.2
163.03941	1.8
163.07487	0.6
163.08661	1.3
170.43343	0.3
173.07121	11.8
175.08681	5.4
187.08653	0.3
191.08167	100.0
192.08508	0.8
203.08144	0.5
205.09825	0.5
213.10252	0.4
215.11719	0.5
231.11298	0.3
233.09290	1.2
238.47690	0.3
281.14975	0.3
289.11835	1.6
307.12888	30.8
308.13235	0.4
313.75497	0.3
325.13953	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
52.02357	0.5
54.47871	0.4
55.01860	0.6
55.05505	2.2
57.07061	1.6
65.03947	1.0
67.05506	7.2
68.99783	2.7
69.07059	1.1
69.40078	3.8
69.40485	1.0
71.98031	0.6
79.05482	0.9
81.07055	4.3
83.08615	1.7
91.05483	1.5
93.07067	0.5
95.04977	5.1
95.08608	4.1
98.20981	1.9
103.05457	0.6
106.44238	0.5
107.04932	1.2
107.77592	0.5
109.06542	0.7
109.10159	1.9
111.04425	0.5
115.05443	0.8
119.04940	2.6
120.33708	0.5
121.06487	0.6
123.04433	22.6
123.08035	0.7
125.06003	0.7
128.16911	0.6
128.54128	0.5
133.06509	1.4
135.44800	0.5
137.05975	4.1
139.03902	7.6
139.07542	0.6
140.64687	0.5
141.05458	7.3
147.04445	2.8
150.03114	0.6
151.03935	1.7
151.06282	0.6
151.07532	10.5
151.08656	0.9
153.05472	100.0
154.05795	1.2
161.05981	1.2
163.03949	1.0
164.04710	2.6
165.05486	1.4
167.07037	1.5
169.04961	6.1
179.07037	25.3
193.08624	1.2
207.10139	0.5
221.18614	0.5
267.13742	0.5
281.77316	0.5
305.21039	1.3
323.14209	1.4
323.22180	63.3
324.22699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
51.40733	2.0
53.03938	6.3
55.01868	8.3
55.05516	29.8
57.03435	8.4
57.07085	8.8
58.41009	1.7
59.04980	5.4
63.14254	1.6
65.03941	2.9
67.05510	39.0
69.03130	2.0
69.03432	20.0
69.07071	81.8
69.22787	17.8
71.05008	8.8
71.08611	2.8
73.06552	2.3
79.05494	36.9
81.03435	8.4
81.07060	89.4
83.04984	17.2
83.08627	16.5
85.02890	2.3
85.06557	9.9
91.05479	33.7
93.07048	100.0
95.04960	15.6
95.08611	95.1
97.02854	3.7
97.06531	15.9
97.10165	15.8
98.21224	9.1
99.04484	1.9
99.08092	2.3
103.05437	2.3
105.07032	55.6
106.04755	1.7
107.04943	3.6
107.08599	47.4
109.02850	4.7
109.06530	16.7
109.10162	47.5
111.08091	12.2
111.11731	11.2
117.07018	5.9
119.08578	26.3
121.06534	5.2
121.10146	83.2
123.08085	14.9
123.11710	29.2
125.05964	1.9
125.09641	15.1
125.13248	4.3
127.03858	2.5
127.07567	2.0
128.06215	2.2
129.06995	2.9
131.08575	13.3
133.10135	56.7
135.08034	5.3
135.11723	16.2
137.05952	7.7
137.09612	14.1
137.13255	7.0
137.72733	1.7
139.11185	22.5
143.08551	5.8
145.10104	7.5
147.11674	10.1
149.09622	16.6
149.13261	8.3
151.11168	8.3
151.14615	1.9
153.09137	1.9
153.12738	7.6
155.10677	5.7
157.10130	6.6
157.12224	3.6
159.11662	6.3
161.05963	4.0
161.09627	17.2
161.13246	7.3
163.11125	3.8
163.14809	4.2
165.12749	5.6
167.10696	28.0
169.10118	1.9
171.11681	3.8
173.13275	3.8
175.11185	3.5
175.14851	3.9
176.40550	1.9
177.12659	2.2
177.16389	4.2
179.10684	5.5
179.14360	2.1
181.12228	2.2
185.11731	2.8
185.13287	2.9
187.14720	2.5
189.16403	2.5
193.15953	2.4
194.62630	1.9
197.11690	1.8
199.14781	2.3
203.08549	3.8
203.17998	2.4
207.13780	2.5
217.19525	1.9
220.08847	2.3
220.60475	2.0
231.08054	5.1
233.18903	1.8
234.06805	2.4
235.07364	2.4
235.20709	4.0
247.07565	3.1
248.08418	3.8
249.49930	1.8
259.24118	2.0
261.22092	3.2
263.10651	4.2
269.22617	4.6
277.08505	2.0
283.06119	2.2
287.23697	11.3
291.10181	7.4
293.07889	2.3
305.17511	2.9
305.24747	17.5
308.10400	2.5
323.08966	7.4
323.12744	12.9
323.18103	12.8
323.25836	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03938	4.1
55.01868	3.5
55.05509	17.4
57.03436	8.9
57.07072	3.5
59.04988	2.8
65.03960	1.5
67.05168	1.9
67.05507	29.2
69.03432	17.1
69.07070	68.1
71.04980	5.6
71.24094	2.9
79.05492	33.8
81.03410	5.0
81.07061	47.1
83.04989	6.0
83.08638	6.5
85.06570	3.2
91.05476	21.0
93.07047	98.4
95.04967	11.9
95.08608	92.4
97.06525	12.6
97.10182	5.9
99.08082	3.6
103.05484	1.4
105.07034	22.5
106.12348	1.3
107.04935	2.0
107.08598	29.0
109.02911	1.5
109.06506	12.6
109.10154	24.1
111.08086	5.0
111.11720	11.9
117.07009	1.3
119.08576	7.1
121.06494	2.5
121.10146	100.0
123.08081	11.3
123.11697	4.3
125.09629	11.9
129.07007	1.9
131.08582	13.4
133.10149	8.6
133.11041	1.5
135.11699	5.2
137.05972	1.7
137.09615	13.1
137.13373	1.4
139.11192	28.0
141.09146	1.5
142.07855	1.3
145.10132	2.2
147.11699	2.4
149.09625	15.1
149.13217	1.7
151.07506	2.6
153.12657	1.6
155.10652	7.1
159.11621	1.5
161.09578	3.2
161.13214	1.6
163.11203	1.5
163.14822	1.7
165.12738	1.6
165.16174	1.2
167.09303	2.4
167.10681	41.7
175.11292	1.4
179.10686	1.7
184.25613	1.4
185.11668	2.1
191.05049	1.3
202.07591	1.4
287.23853	1.9
289.26422	1.3
291.10303	2.0
305.24774	5.9
323.12582	3.0
323.18454	10.3
323.25821	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
52.70184	0.9
53.03930	4.1
55.01857	3.4
55.05514	20.9
55.24483	1.1
57.03443	9.8
57.07067	4.9
59.04990	2.7
65.03919	1.6
67.05506	36.7
69.03433	14.3
69.07072	74.3
69.39352	6.2
69.39752	2.5
71.01349	1.6
71.05011	8.9
77.03871	1.2
79.05496	35.9
79.05959	2.2
81.03418	5.8
81.07059	55.6
83.04989	6.4
83.08627	8.4
85.02898	2.0
85.06540	6.1
87.04480	1.4
91.05482	22.4
93.07048	100.0
94.07446	1.3
95.04974	14.5
95.08610	92.6
97.02897	1.5
97.06536	12.9
97.10162	6.8
98.20831	3.4
98.21529	2.0
99.04430	2.0
99.08080	3.1
104.99326	1.1
105.07037	35.6
107.04922	2.2
107.08593	35.9
109.02871	3.9
109.06527	10.5
109.09451	2.1
109.10159	29.1
111.08063	6.5
111.11713	10.3
115.05451	1.2
117.07021	1.4
119.08585	12.4
121.06513	2.5
121.10146	95.4
123.08092	11.2
123.11714	13.8
125.09628	13.7
127.03916	2.3
129.07011	2.4
131.08566	12.7
133.10127	19.7
135.08041	1.5
135.11687	9.4
137.06010	3.8
137.09605	11.4
137.13266	5.3
139.11189	26.4
141.09109	2.0
143.08533	1.4
145.10123	4.7
147.11653	5.2
149.09619	14.1
149.13263	7.5
149.17337	1.1
151.07553	2.7
151.11217	1.8
153.12682	1.2
155.10706	6.5
157.10136	1.6
159.11674	4.2
161.06023	2.1
161.09671	6.6
161.13264	3.8
163.11252	3.0
163.14801	1.8
163.53491	1.1
165.12764	4.1
167.10683	33.4
173.13266	2.1
175.07635	1.4
175.14902	2.6
177.12822	1.9
179.10449	1.1
181.12161	1.4
185.11800	1.2
189.16391	1.9
190.52664	1.2
191.14397	1.3
194.90018	1.1
199.07605	1.4
201.16486	1.2
203.08549	1.9
207.17322	1.6
220.08934	1.0
231.07901	2.8
231.17505	1.4
231.21484	1.6
237.05733	1.3
269.22696	1.6
287.23740	2.9
291.10150	4.0
305.24756	7.9
308.10245	1.2
323.05716	1.3
323.09061	3.8
323.12823	9.8
323.18253	5.7
323.25870	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1852
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.01863	3.7
55.05510	3.7
57.08491	1.8
65.56349	2.1
67.05505	18.4
68.99777	3.4
69.07051	2.5
69.58480	8.0
69.58904	6.1
71.05004	4.2
79.05486	10.5
80.06306	1.9
81.03360	2.8
81.07061	26.0
83.04924	2.5
83.08627	1.8
91.05476	7.0
92.50095	1.7
93.07029	7.0
95.04957	4.0
95.08608	16.9
97.06534	2.4
98.20961	6.3
98.21514	2.1
98.78552	2.0
105.07035	6.8
107.08572	3.3
109.10150	2.1
111.48395	1.8
114.56790	2.3
119.08545	4.8
120.25503	2.1
121.10129	4.4
123.04411	7.0
123.08059	29.7
123.11717	4.0
124.01528	2.5
131.08701	1.7
137.05980	5.5
137.09619	3.8
141.05479	26.2
147.11673	4.5
152.00992	2.6
153.05463	47.1
155.07027	4.5
165.05399	2.2
167.03412	100.0
167.07132	3.5
177.05453	2.4
179.07010	4.7
181.04910	4.7
191.06895	2.9
193.08630	2.7
195.06487	4.6
207.10240	5.0
221.11826	4.0
244.35020	2.4
263.12793	4.6
266.78061	2.2
287.16422	3.5
305.17499	7.7
323.22488	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1853
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
50.90264	1.0
53.03946	4.3
55.01862	5.2
55.05515	19.2
57.03432	2.5
57.07075	2.3
57.19808	1.0
59.04976	1.9
65.03929	1.7
67.05170	2.6
67.05508	29.9
69.03432	100.0
69.07072	23.6
71.01366	1.6
71.04965	11.9
73.02915	1.6
77.03903	1.3
79.05500	28.0
81.03423	39.0
81.07059	45.8
83.04984	19.4
83.08628	8.6
85.02894	6.4
85.06526	3.6
91.05483	21.7
92.22850	1.3
93.07051	38.7
95.01315	1.8
95.04977	15.1
95.08607	41.0
95.11639	1.1
97.02888	7.7
97.06532	10.6
97.10173	5.3
98.20899	1.7
98.21458	1.2
99.04446	3.4
99.08102	2.3
101.40083	1.1
103.05493	1.6
105.07037	34.8
107.04988	5.6
107.08593	23.3
109.02887	13.5
109.06521	10.6
109.10161	17.0
110.03664	1.8
111.04446	4.0
111.08073	5.6
111.11712	2.7
115.05463	3.6
117.07026	7.0
119.08585	18.5
121.06504	9.2
121.09306	1.7
121.10143	23.1
121.75730	1.4
123.04429	2.7
123.08051	7.9
123.11728	6.6
125.05933	1.7
125.09629	5.5
127.03907	11.1
128.06218	2.0
129.07014	3.9
131.08549	13.3
133.06474	5.2
133.10127	26.3
135.08029	6.7
135.11737	7.1
137.05998	5.4
137.09627	5.2
137.13251	2.4
139.11211	5.9
141.07018	1.8
142.07780	1.6
143.08556	4.2
145.06514	2.8
145.10104	7.2
147.08046	4.1
147.11667	7.0
149.05975	2.5
149.09645	5.8
149.13252	4.6
151.07553	21.2
151.11223	1.9
153.01767	1.7
155.08554	1.8
155.10623	1.1
157.10155	6.8
159.08092	1.9
159.11710	6.0
161.05998	2.0
161.09634	11.2
161.13261	5.4
163.07530	1.4
163.11168	2.2
163.14847	1.8
165.12790	1.6
167.10678	5.8
169.10136	1.6
169.12282	1.2
171.11691	3.3
173.09599	1.3
173.11708	3.9
173.13255	4.4
175.07581	1.3
175.11232	2.4
175.14853	2.8
177.12714	2.5
179.10652	1.6
179.14323	2.1
183.11572	1.6
185.13234	2.1
187.14790	1.1
189.12683	2.0
189.16408	1.1
191.14294	2.9
193.12193	1.4
195.13817	1.9
199.11304	1.1
199.14722	1.5
201.12753	3.3
201.16527	1.4
203.08479	2.4
203.14265	1.5
207.13777	3.7
207.17448	1.1
209.13451	1.3
209.15302	5.6
219.13785	4.8
225.14862	3.8
235.16837	1.5
237.14873	24.1
248.08281	1.5
259.07675	1.3
259.16992	2.4
260.08340	1.3
263.10745	1.4
263.16461	4.4
269.15308	1.7
277.17944	3.9
287.16412	5.8
287.23578	2.5
291.10165	4.6
291.59351	1.0
292.11047	1.4
305.17426	15.3
305.24655	3.6
323.09082	2.3
323.12512	4.1
323.18527	90.7
323.25540	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	323.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01874	6.3
55.05516	3.1
65.03933	5.8
67.05509	6.5
68.99781	8.0
69.03425	12.0
79.05492	14.6
81.03412	7.0
83.04981	8.0
85.02901	4.8
91.05469	3.0
93.03399	4.5
95.04958	14.0
97.02893	26.6
99.04460	8.6
105.07082	2.8
107.04961	13.2
109.02897	3.7
111.00783	4.8
111.04437	21.1
112.35991	2.4
115.05492	3.2
117.07124	2.9
119.04909	2.7
121.10111	4.3
123.04437	37.4
127.03913	10.9
131.04860	2.4
135.04437	6.6
139.03908	100.0
143.06903	4.6
145.06485	2.7
147.04430	4.7
149.05992	4.8
149.09631	4.1
150.03099	3.0
151.03903	28.2
153.01920	3.0
153.05475	2.8
155.03392	10.2
159.04419	4.9
160.07588	6.2
161.05960	3.2
161.07901	8.0
163.03902	28.6
164.98320	2.8
165.05525	2.7
169.06459	4.5
173.06017	3.1
177.05460	3.8
179.03357	16.3
181.04971	26.8
189.05490	4.0
190.61421	2.9
201.05559	6.1
203.03328	2.8
203.07011	4.4
205.08888	3.0
212.04686	12.0
213.05470	6.9
215.07103	7.3
217.04883	3.7
240.04187	11.8
241.04967	5.8
243.06470	8.1
259.06097	8.8
261.07657	11.4
269.04495	39.2
277.07129	6.0
287.05490	28.8
305.01889	8.8
305.06729	14.5
323.07620	4.9
323.13046	19.7
323.16263	3.0
344.49557	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1853
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.05507	0.6
57.07079	6.6
64.44324	0.2
67.01855	0.7
67.05508	1.6
68.99792	0.7
69.03415	0.7
69.07067	1.1
70.37936	0.5
71.01349	0.5
71.08634	9.4
71.34926	0.2
79.01890	0.2
79.05484	0.2
81.03396	0.2
81.07059	4.8
83.08634	0.4
85.09709	0.3
85.10188	4.8
85.65944	0.2
95.08610	6.1
97.02892	0.3
98.21297	0.3
109.02863	0.2
123.04441	0.3
127.03921	9.9
130.00058	0.2
133.61305	0.2
137.13255	1.0
151.03944	0.7
153.01834	100.0
154.02185	0.8
155.14313	10.0
169.04955	2.0
192.70659	0.2
197.15346	2.2
219.52380	0.2
240.93729	0.2
323.18527	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	323.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97607	6.6
54.93539	6.0
55.05504	9.4
57.07085	7.1
62.57393	7.4
63.46791	6.1
67.05502	26.5
68.08379	6.4
69.03428	10.6
69.07044	9.5
71.57722	8.3
79.05481	29.8
81.03394	7.3
81.07060	68.9
83.04982	8.9
91.05470	29.5
93.07047	30.2
95.04958	7.8
95.08601	34.4
105.07033	19.5
107.08639	11.4
109.06539	7.9
109.10177	8.3
111.04401	7.5
111.08123	6.5
119.08580	11.5
121.06504	11.9
121.10131	24.3
123.04384	8.8
123.08052	12.0
123.11681	15.4
127.03913	9.8
131.08565	14.2
135.11720	8.9
141.05455	37.8
147.11629	6.9
149.09712	13.8
151.07561	7.9
153.05487	100.0
159.71136	7.3
161.13217	7.7
165.12827	8.0
167.03429	79.7
167.07068	8.0
167.10677	16.2
181.05003	9.3
193.04713	6.5
195.06560	9.4
207.10231	7.9
224.95923	7.1
291.10074	10.4
305.17346	16.0
323.12726	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	323.1854
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.97607	6.6
54.93539	6.0
55.05504	9.4
57.07085	7.1
62.57393	7.4
63.46791	6.1
67.05502	26.5
68.08379	6.4
69.03428	10.6
69.07044	9.5
71.57722	8.3
79.05481	29.8
81.03394	7.3
81.07060	68.9
83.04982	8.9
91.05470	29.5
93.07047	30.2
95.04958	7.8
95.08601	34.4
105.07033	19.5
107.08639	11.4
109.06539	7.9
109.10177	8.3
111.04401	7.5
111.08123	6.5
119.08580	11.5
121.06504	11.9
121.10131	24.3
123.04384	8.8
123.08052	12.0
123.11681	15.4
127.03913	9.8
131.08565	14.2
135.11720	8.9
141.05455	37.8
147.11629	6.9
149.09712	13.8
151.07561	7.9
153.05487	100.0
159.71136	7.3
161.13217	7.7
165.12827	8.0
167.03429	79.7
167.07068	8.0
167.10677	16.2
181.05003	9.3
193.04713	6.5
195.06560	9.4
207.10231	7.9
224.95923	7.1
291.10074	10.4
305.17346	16.0
323.12726	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
53.22200	1.8
55.01869	9.3
55.05510	8.7
57.03425	7.6
61.29889	2.4
65.20666	2.2
67.05504	12.0
69.03426	12.9
69.07078	7.7
71.04979	3.7
71.56335	2.6
79.05495	35.4
80.41283	2.3
81.03417	4.2
81.07058	41.8
83.04929	3.8
85.02904	8.1
86.09720	5.6
91.05488	16.5
93.07056	13.8
95.01353	17.2
95.04975	11.7
95.08611	4.6
96.08934	2.5
97.02879	3.3
97.06538	20.8
101.02348	2.6
105.07034	10.2
107.04942	7.8
107.08604	7.5
109.06530	32.0
109.10164	3.9
110.35078	2.2
111.04411	2.9
111.08078	5.0
113.02316	3.3
117.07007	3.5
118.11732	2.4
119.04958	6.0
119.08597	11.4
121.06514	6.9
123.08052	5.1
125.05990	5.0
129.07008	6.5
131.08582	5.5
135.08063	8.4
137.05986	9.5
139.03896	10.3
139.07574	2.6
141.01750	4.1
141.05479	2.7
145.10089	3.6
147.08052	11.5
149.05983	3.8
149.09723	2.5
155.07053	6.8
163.07549	12.0
165.09148	24.1
167.07040	5.1
175.07626	4.3
177.05295	2.6
179.83620	2.6
181.08595	10.3
183.10141	6.1
191.07056	7.2
193.08617	29.1
197.04459	8.1
199.09631	18.9
209.08066	9.1
211.09663	19.2
225.07484	2.9
227.09154	9.7
237.07530	4.1
255.08647	100.0
269.10135	4.4
273.09674	5.4
308.96292	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55183	6.3
64.55332	5.3
65.35731	4.6
70.77502	7.5
70.77843	11.7
71.39900	5.4
85.02882	9.2
91.82480	5.4
97.02879	7.5
101.00871	8.4
119.01955	7.6
133.40825	5.8
143.01927	33.0
155.01903	12.6
161.03021	20.9
161.84317	6.4
173.02982	20.2
203.03984	18.2
232.56694	7.2
232.86041	5.7
263.06317	10.8
323.07419	100.0
324.16608	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1285
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.83099	0.8
51.64628	0.8
53.03929	1.1
55.01860	1.2
55.67048	0.9
57.03432	2.3
59.37515	0.8
61.02912	3.1
62.29938	0.9
69.03434	11.1
70.00542	4.3
70.06570	1.3
71.04970	0.8
71.31443	0.8
71.96360	0.9
72.04535	0.8
73.02904	3.3
81.03399	2.9
84.16973	0.9
85.02905	14.0
87.04457	2.6
91.03943	1.5
96.56000	0.9
97.02904	7.4
97.06517	0.9
97.24787	1.0
98.20921	1.6
99.04463	1.6
107.05002	1.4
109.02867	2.5
111.04436	1.1
115.05439	2.5
117.05721	0.9
117.07039	1.2
118.55425	0.9
123.04414	2.2
124.02161	1.7
127.03927	3.5
128.07085	1.1
129.67145	1.0
130.06508	4.9
131.07353	1.0
132.08089	8.5
139.03873	4.5
142.03271	4.7
142.06526	30.9
143.07323	7.9
144.08089	17.4
145.06494	1.2
151.03865	1.8
153.01816	1.7
155.03476	2.1
155.06035	1.1
158.06015	4.8
159.06798	1.9
160.04263	3.6
160.07587	98.0
161.04491	1.1
161.07895	1.7
163.03838	1.0
179.03360	1.5
181.04825	1.2
202.08614	1.9
204.03723	1.3
243.06557	1.1
248.02626	1.3
258.01196	1.8
261.07718	1.6
269.04459	2.7
286.00540	1.5
287.05389	2.1
304.01685	11.6
322.12814	100.0
323.04910	0.9
323.13019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64423	0.1
56.96569	0.7
57.02753	0.1
67.37244	0.1
71.55622	0.1
71.56000	0.2
71.95247	0.3
81.74456	0.1
81.98205	0.1
97.66579	0.1
98.21133	0.1
98.97582	2.9
101.00887	0.2
108.98431	0.1
116.98617	2.1
119.01929	2.2
120.02068	0.1
122.97773	0.3
134.99673	1.1
137.02945	0.4
140.98856	0.2
141.99614	0.2
142.03554	0.2
153.00850	0.2
158.99817	0.7
171.98610	0.1
172.98904	0.1
177.00957	13.2
178.00993	0.6
179.01372	0.2
182.99799	1.4
191.02533	0.1
195.02037	0.1
201.00932	5.8
202.01048	0.1
202.93484	0.2
216.98828	0.2
218.03728	0.2
219.02008	100.0
220.02132	3.7
221.02490	0.6
224.02498	0.2
230.93294	0.1
232.92996	0.3
233.03574	1.1
234.99716	0.4
236.00081	0.2
236.92017	0.1
236.99579	1.0
237.02985	0.3
238.95576	1.2
242.03612	5.0
256.96637	8.8
257.96713	0.5
258.96667	0.1
258.99747	0.5
260.00189	0.2
260.04807	0.1
261.03070	0.7
261.97192	0.2
262.95654	0.3
272.94427	0.5
274.94159	1.3
274.97687	2.3
275.97830	0.2
276.04733	0.2
276.95529	0.2
277.00839	0.5
278.01065	0.4
279.00735	0.1
279.98187	1.4
280.96481	1.7
283.00198	0.1
290.95624	0.3
292.95184	0.6
296.94528	0.2
297.99216	0.2
298.18546	0.2
298.97684	35.8
299.18777	0.3
299.97867	0.9
300.98068	0.2
301.01138	0.3
303.98322	0.2
312.99289	0.7
316.41306	0.1
316.93347	0.2
316.95374	0.4
316.98782	0.5
317.95135	0.2
319.43744	0.6
319.93744	0.3
321.99286	3.9
322.99432	0.2
325.42270	0.2
325.92303	0.2
328.44247	1.1
328.94412	0.7
329.44247	0.3
334.92853	0.3
334.96777	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	321.2061
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03945	0.7
54.49825	0.6
55.01871	1.0
55.05514	4.3
56.51604	0.5
56.88758	0.5
57.07083	3.0
60.92532	0.6
67.05503	3.6
68.99795	0.7
69.03410	0.7
69.07077	3.6
71.57706	1.0
71.58079	0.5
79.05491	1.2
80.19382	0.5
81.03430	0.6
81.07051	6.0
82.07326	0.6
83.01339	1.0
83.04980	2.5
83.08641	4.1
83.09087	0.8
85.06538	1.5
91.05491	0.6
93.07031	2.8
95.04928	0.6
95.08615	6.4
97.02872	0.8
97.06524	1.3
97.10188	1.6
105.07025	1.3
105.40958	0.5
107.08605	2.7
109.10164	2.7
111.04511	0.7
111.08093	1.1
111.36771	0.6
119.08567	0.9
121.10138	2.4
123.08109	1.3
123.11713	2.1
125.05994	0.8
127.03896	1.0
127.07615	0.6
127.11272	0.7
131.08578	0.8
133.10074	0.9
135.11693	1.4
137.09595	0.7
137.13261	1.4
139.03891	2.4
139.37946	0.6
141.05476	3.4
147.11778	0.6
149.13216	0.7
151.11221	0.9
153.01836	22.1
153.05472	6.3
163.03871	0.6
163.14807	1.9
167.03413	100.0
168.03743	0.8
169.05017	0.8
177.05476	0.9
181.04993	3.3
181.15981	0.8
184.93660	0.5
185.04494	0.7
191.06982	1.2
195.06560	2.7
203.17879	0.7
205.08665	0.7
209.08073	0.8
238.09053	0.5
303.19601	1.7
321.20639	33.1
321.27917	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
54.15455	0.7
55.01867	3.6
55.05512	17.3
57.03427	1.5
57.07081	11.9
67.01866	2.5
67.05509	7.3
68.99435	1.1
68.99794	17.1
69.03441	1.8
69.06719	1.7
69.07070	25.7
71.08640	6.2
72.46183	0.7
76.31264	0.8
79.05490	6.0
81.03402	1.2
81.07057	10.8
83.04971	5.3
83.08622	12.5
85.06546	1.2
85.10200	2.5
85.78664	0.8
90.35230	0.9
91.05497	2.5
93.07042	9.5
95.04950	2.2
95.08608	8.0
97.02905	2.7
97.06545	6.8
97.10178	7.0
98.20776	2.3
98.21457	3.2
101.49697	0.8
105.07023	1.6
107.04981	1.3
107.08595	9.1
109.06507	1.4
109.10147	3.7
111.00806	32.0
111.04441	7.8
111.08080	3.0
111.11739	2.5
119.08593	2.1
121.06513	2.1
121.10131	7.8
121.24917	1.0
123.04420	2.5
123.11673	2.0
124.01553	1.6
125.05994	2.8
125.09631	1.8
126.03146	2.7
127.03925	11.2
128.77089	0.8
131.08514	1.0
133.10107	1.1
135.08058	1.9
135.11699	4.5
137.05984	1.0
137.13283	1.1
139.03905	22.4
139.07550	1.7
139.11163	1.4
141.05449	3.0
145.10107	1.7
147.11815	0.9
149.09604	1.5
149.13257	3.1
151.07620	1.4
152.01082	1.7
153.01888	2.3
153.05457	13.0
153.09135	1.6
159.11752	1.2
163.03902	1.2
163.07651	1.2
163.11224	1.4
163.14825	2.5
167.03407	100.0
167.07001	5.8
167.10707	2.3
168.03688	1.9
169.05009	1.2
170.02077	2.1
171.10170	1.7
177.05443	1.7
177.12679	0.9
179.07045	2.8
181.04979	5.8
181.08624	4.0
181.12222	1.1
181.15851	1.9
195.06544	5.1
195.10158	6.5
195.13806	2.0
199.13297	1.4
205.08643	1.0
205.15950	1.3
209.11729	10.3
209.15205	1.2
223.13321	10.8
237.14874	11.3
250.71579	1.0
251.16447	11.6
261.22150	1.1
262.98697	0.8
265.17972	7.5
279.19656	3.9
279.23239	3.2
293.15140	1.0
303.19678	1.5
321.20609	25.7
321.24265	36.9
321.27924	1.6
322.21017	1.4
322.24680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
53.03940	0.4
55.01883	1.4
55.05521	1.7
57.07066	0.3
65.03939	0.4
67.05505	1.2
68.87646	0.2
68.99789	2.3
69.07059	1.2
78.26775	0.2
79.05476	0.8
81.03422	0.6
81.07052	1.5
81.59774	0.2
83.04960	0.3
83.08614	1.3
84.59877	0.2
91.46856	0.2
93.07027	0.8
95.04958	0.6
95.08591	0.6
97.02874	0.4
97.06536	0.3
97.10164	0.9
98.20857	0.9
99.04453	0.5
105.06999	0.3
107.08562	0.6
111.04469	0.7
121.06425	0.3
121.10178	0.4
123.04415	1.2
123.11651	0.3
124.01566	2.0
133.22707	0.2
137.02330	0.4
137.05981	0.6
139.03928	1.1
141.05470	2.8
149.05989	0.4
151.07549	0.4
152.01048	3.1
153.05470	10.1
163.03891	0.5
163.07536	0.4
163.14809	1.3
167.03401	100.0
168.03712	0.7
169.04968	0.6
170.02127	2.7
177.05452	1.2
179.07069	1.2
181.15871	0.4
195.06508	2.3
205.08614	0.7
207.10139	0.7
209.07973	0.4
217.80984	0.2
250.52744	0.2
303.19501	0.6
321.20609	20.3
322.20889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
55.01857	0.5
55.05512	5.0
57.03449	0.5
57.07074	2.7
58.35425	0.4
59.24138	0.4
65.03929	0.5
67.05505	3.4
68.99773	0.7
69.03448	0.7
69.06770	0.4
69.07078	3.5
69.85925	1.9
79.05490	1.8
81.03416	0.5
81.07063	4.8
83.01337	1.3
83.04984	2.5
83.08617	2.4
83.83526	0.4
85.06535	1.6
87.06308	0.4
91.05476	0.9
93.07027	1.9
95.08606	5.5
97.02897	0.8
97.06526	0.9
97.10155	1.8
98.21274	1.0
105.07037	0.5
107.08602	2.4
109.10150	2.6
111.04375	0.8
111.08067	1.0
119.08567	0.8
121.06510	0.6
121.10148	2.1
123.08060	1.1
123.11707	1.1
127.03906	1.7
128.14578	0.4
133.10100	0.5
135.11685	1.3
137.05974	0.5
137.09579	0.6
137.13252	1.1
139.03909	1.9
141.05460	2.9
149.13232	0.6
150.37462	0.4
151.07506	0.5
151.11169	0.9
153.01831	23.1
153.05441	6.1
163.03862	0.4
163.07495	0.6
163.14781	2.1
165.01906	0.5
167.03401	100.0
168.03790	1.3
169.04970	1.2
174.16911	0.4
175.16965	0.4
176.08246	0.4
177.05449	0.7
179.07048	1.1
181.05000	2.0
181.15942	0.5
183.10152	0.5
184.52406	0.4
191.07010	0.8
191.18013	0.5
195.06557	1.6
203.17931	0.7
207.10162	0.7
209.08133	0.7
221.52679	0.4
226.67621	0.4
234.17503	0.5
241.70213	0.4
303.19489	1.4
321.20639	25.7
321.27911	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	321.2059
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
51.14255	0.2
53.03945	0.4
55.01857	1.3
55.05508	2.5
55.16493	0.2
57.07063	0.6
65.03916	0.3
67.01858	0.4
67.05499	1.8
68.99780	2.2
69.03445	0.4
69.07064	1.5
69.63602	0.3
69.64011	1.3
71.04968	0.3
71.08621	0.2
79.05484	1.1
81.03403	0.6
81.07057	2.3
83.04971	0.4
83.08624	2.0
85.06493	0.2
90.72339	0.2
91.05475	0.5
93.07025	1.3
95.04955	1.0
95.08610	1.8
97.02908	0.4
97.06532	0.5
97.10191	1.0
98.21152	0.8
99.04456	0.6
103.05416	0.4
107.04949	0.3
107.08585	0.8
111.04444	1.0
111.08070	0.5
121.10136	1.1
123.04436	2.2
124.01566	2.1
126.40450	0.2
127.03921	0.3
132.39767	0.2
135.11664	0.3
137.02345	0.6
137.05957	0.7
137.13245	0.2
139.03889	1.2
141.05455	3.8
147.04414	0.3
151.03902	0.3
151.07536	0.8
152.01030	2.9
153.05461	13.1
163.03917	0.3
163.07538	0.6
163.14821	1.8
167.03394	100.0
168.03764	0.8
169.04903	1.1
170.02115	2.7
177.05482	2.1
179.07059	2.4
181.05025	0.5
181.15886	0.5
183.06543	0.3
191.07101	0.4
193.08627	0.3
195.06549	2.9
204.08025	0.2
205.08606	1.0
207.10182	1.4
209.08159	0.3
219.10190	0.4
303.19672	1.1
321.20602	23.4
322.21057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74966	1.5
52.17649	1.3
53.64167	1.5
54.36743	1.5
69.99464	6.4
85.02924	2.1
91.72119	1.7
95.06094	3.9
98.20840	3.0
98.21401	1.8
101.00880	3.8
111.05569	5.8
119.01926	5.5
123.05529	4.7
131.01941	4.1
133.03485	4.7
141.06578	12.4
143.01842	2.4
145.03485	2.3
159.05054	3.6
159.07671	10.5
161.02982	3.1
171.05026	3.6
173.02995	2.6
175.04535	1.7
177.06073	1.9
219.03546	2.9
219.07140	2.1
221.05095	3.4
231.07103	3.0
240.15915	1.5
245.05112	2.4
247.03017	2.1
261.08249	2.9
273.08511	1.6
279.09296	1.7
300.19843	1.5
303.01318	1.5
321.11813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41208	1.0
63.49050	1.0
71.21558	2.0
75.61266	1.0
85.02915	1.5
95.06095	2.3
101.00889	1.9
111.05589	6.9
115.02449	1.6
119.01975	3.0
123.05576	5.0
131.01976	1.5
133.03531	2.5
137.03137	0.9
141.06621	12.6
141.07677	1.4
147.05145	1.3
157.03537	1.1
159.05072	1.5
159.07663	8.2
171.05072	2.0
173.03058	1.8
219.07175	1.8
221.05186	1.3
231.07236	2.0
279.09439	1.1
315.41125	1.1
321.11682	100.0
322.11783	1.5
333.04565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
54.15274	4.3
55.01865	12.1
55.05516	24.2
57.03419	4.3
59.05004	66.9
67.05495	9.1
69.03132	4.9
69.03439	55.8
69.99347	22.4
71.04983	12.9
73.06560	71.0
76.15399	4.1
80.40302	4.6
81.03405	15.2
81.07047	4.5
83.04974	6.4
85.02914	100.0
86.25233	4.8
87.04464	17.1
91.05466	6.0
93.07037	5.8
97.02905	46.6
98.21228	12.6
99.04455	13.3
101.06004	32.9
105.07066	6.7
107.04953	5.9
107.56355	4.7
109.02854	20.1
122.05975	6.0
122.64952	4.7
127.03918	81.3
139.03903	7.6
145.04959	19.0
150.05493	7.9
152.07065	5.3
153.01799	5.1
153.05437	6.6
164.07106	5.1
175.03932	4.5
185.10770	4.8
201.01801	6.4
219.19412	4.0
229.01312	7.5
231.02727	5.2
231.09081	5.4
231.11238	21.6
234.98955	12.1
247.02299	10.7
257.00784	11.6
259.02356	7.4
275.01947	25.1
277.03357	5.3
285.00406	10.7
285.12146	10.4
303.01373	72.1
303.09708	37.6
303.13754	12.9
303.64059	4.1
321.02484	8.2
321.10611	9.0
321.14368	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05515	2.3
56.96570	15.7
59.04999	2.2
61.02927	2.1
69.03421	9.2
69.60876	1.8
70.63484	6.0
73.02915	3.6
74.75446	1.8
78.45203	1.9
79.05489	2.2
81.03431	4.2
82.99850	2.5
83.04952	2.0
84.96042	2.0
85.02912	13.6
91.02443	2.7
97.02916	9.6
98.21101	3.4
98.97585	22.2
99.04461	6.1
99.08085	2.4
99.82708	1.8
101.00880	41.7
109.02895	2.2
110.06055	2.7
110.97594	4.4
112.99148	2.2
113.00861	8.0
115.00670	4.0
115.02441	13.5
116.98595	9.4
117.03959	4.5
119.01923	100.0
120.02058	2.9
120.67397	1.9
121.01597	1.9
127.03915	8.9
128.98631	5.7
129.03996	3.9
131.00293	1.8
131.01909	29.9
133.01756	3.9
133.03468	32.4
134.99657	2.8
135.05054	3.7
137.02950	14.8
141.06528	2.0
143.00194	2.0
143.01918	16.0
144.99857	5.0
145.03491	11.5
145.04988	3.0
146.99660	2.7
147.05099	5.4
149.02972	5.0
151.04562	5.1
152.98500	2.1
153.01820	4.9
155.01933	10.9
157.03496	6.8
158.05611	3.1
158.99634	5.6
159.01387	2.6
159.03244	2.6
159.05034	5.5
161.01205	3.1
161.02979	24.2
163.04347	2.1
168.99780	15.4
170.99738	1.8
171.01413	5.5
171.05084	8.0
173.02985	34.8
174.99089	2.7
175.04509	6.0
177.00690	6.0
177.02473	5.8
177.04385	6.1
177.06111	2.5
182.56262	1.8
185.02962	6.2
187.00877	37.4
189.00804	2.8
189.02469	15.6
189.04056	2.1
189.06075	6.8
191.04059	12.6
191.05702	2.8
193.00288	3.1
195.05357	3.1
196.99409	9.2
201.00714	2.1
201.02449	36.2
201.06097	2.9
203.03906	6.8
205.01978	12.3
207.03456	3.2
213.02441	9.6
215.00395	48.0
217.00023	2.1
219.01732	7.5
219.03537	65.0
219.07050	3.9
219.93726	1.8
221.05074	14.5
223.01109	2.4
229.01936	22.8
231.03545	12.4
231.07103	3.3
233.01402	5.7
233.05037	19.6
235.45808	2.0
237.02678	9.7
239.00555	1.9
242.04936	2.2
245.05136	3.1
247.03001	74.3
248.89934	2.0
249.04402	9.4
257.00839	5.3
259.02402	5.0
261.04611	6.0
261.08246	8.9
265.04034	12.3
270.04547	2.7
275.01956	5.2
277.03384	7.8
279.09567	11.6
285.00327	5.6
289.04080	11.1
303.01352	28.8
304.01724	2.1
321.02353	4.1
321.06711	9.2
321.10513	11.5
339.09882	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	321.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69394	1.2
52.67446	1.3
55.01848	1.4
56.05031	5.4
56.96565	24.5
57.03429	2.6
68.05018	2.3
69.03420	4.8
69.07075	2.0
70.06598	2.4
70.39864	4.4
71.04996	2.2
72.93742	1.4
73.06560	1.6
79.56470	1.7
81.03410	4.1
83.04977	2.1
83.08596	1.9
84.04510	13.8
84.95658	1.4
84.96046	15.0
85.02902	7.6
86.09705	1.9
86.99060	2.0
91.05480	2.7
94.06561	2.6
97.02901	3.8
97.96787	2.1
98.21216	2.3
98.97587	89.0
102.97081	2.0
109.02850	4.1
110.03207	1.6
110.97579	19.9
112.07569	5.1
112.99149	1.8
114.03727	2.6
114.05520	6.4
115.97804	1.6
116.98621	51.4
124.99132	2.4
126.05498	7.4
127.03876	3.7
128.98618	25.8
131.00153	3.2
134.99669	21.9
139.03802	2.4
140.07050	3.6
140.98544	4.2
141.05443	2.2
142.04893	3.0
143.00212	7.2
144.95872	1.9
144.98029	2.6
146.99664	18.5
149.01213	1.7
152.98610	9.8
153.00676	2.2
153.01849	5.0
157.02943	1.5
158.97433	3.1
158.99626	16.6
161.01231	11.1
162.99124	3.8
165.00668	1.9
168.06601	2.5
170.08090	2.5
170.99673	16.9
173.01131	2.4
173.02415	2.3
174.05855	8.5
177.00743	19.3
177.02110	2.8
186.07635	32.0
189.00708	7.7
190.05305	1.8
195.01785	2.0
201.00374	2.3
201.01892	5.3
203.03392	3.2
203.14340	1.5
215.03391	2.2
218.04890	9.6
219.01723	26.0
219.05281	3.6
229.01335	5.7
231.02966	4.9
234.98984	7.6
237.02832	43.2
242.03308	2.0
243.07954	3.6
246.09071	1.6
247.02365	5.3
255.03683	3.4
257.00812	8.5
259.02405	4.7
261.06482	11.5
275.01843	8.5
277.03467	3.8
279.07538	100.0
280.07935	2.0
285.00214	5.6
293.08835	2.0
297.08594	16.7
302.09064	3.3
302.97983	3.0
303.01364	43.8
303.10049	7.1
304.01651	1.9
321.02399	5.0
321.08530	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0241
Annotation	Luteic acid
Peak:m/z	Relative Intensity
50.91862	0.5
53.98263	0.4
59.04999	0.5
64.45064	0.5
67.05498	0.7
69.03435	1.0
70.06606	0.6
72.08251	0.4
74.77813	0.5
78.96025	0.5
79.05487	1.2
81.03420	1.2
84.04464	0.6
85.02898	0.7
89.03905	0.6
91.05482	1.9
95.04968	0.7
96.35423	0.6
97.02886	0.6
98.20879	2.0
98.21565	0.8
103.05488	0.7
117.03392	1.4
119.04955	1.0
121.02876	0.6
125.02346	0.6
127.03884	0.8
129.03433	0.7
136.07530	0.5
136.60291	0.5
139.03905	2.7
145.02856	1.2
147.04424	3.8
151.03865	0.7
152.06976	0.6
153.01807	0.9
153.05515	0.6
157.02852	2.2
163.03934	1.5
164.07083	0.9
173.02397	4.6
175.03922	2.6
179.03371	0.7
185.02333	1.5
187.03862	2.5
191.03445	2.5
193.50073	0.5
201.01872	12.2
203.03410	5.5
207.02986	1.0
213.01878	1.7
215.03423	1.9
217.01375	0.7
219.03021	2.3
221.00737	0.5
229.01352	9.3
229.03447	0.4
231.02875	8.9
241.01343	1.7
241.43907	0.6
244.10381	0.6
247.02409	9.8
257.00824	20.3
257.03525	1.1
257.10992	0.7
258.99789	1.0
259.02393	13.5
273.10547	1.8
275.01889	18.5
277.03433	8.0
285.00320	15.7
285.02817	0.3
286.01025	0.6
303.01358	100.0
304.01730	1.2
321.02405	11.7
321.10153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.8
55.05506	9.8
56.96561	25.1
57.03444	6.8
59.49734	5.7
69.03429	24.6
69.07069	59.1
70.06587	43.3
71.04992	7.3
71.57484	10.3
72.08146	7.2
81.03422	17.5
83.04993	9.7
84.04494	12.6
84.96066	10.0
85.02917	65.1
97.02905	25.6
98.97582	74.3
109.02884	100.0
110.97572	18.5
111.04453	6.1
112.07612	28.5
116.98611	41.3
127.03929	20.7
128.98598	24.9
130.08640	14.9
134.99704	21.2
140.07095	46.9
141.05484	99.9
143.00197	7.7
145.05002	12.9
146.99693	9.3
153.01816	61.4
154.02122	10.0
156.06557	9.9
158.08115	71.7
158.99680	15.8
161.01236	12.3
170.99603	10.9
177.00687	27.0
182.08171	7.6
184.03267	8.3
186.07623	11.1
189.00609	8.4
200.08981	7.5
219.01779	13.9
221.09282	6.7
237.02847	28.3
247.04736	11.0
257.00732	8.5
259.02176	7.2
279.07504	61.6
303.01395	24.9
321.08734	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	321.0242
Annotation	Luteic acid
Peak:m/z	Relative Intensity
55.05480	0.4
55.35925	0.4
67.05515	0.4
69.03420	0.7
70.74186	1.0
73.06557	3.0
79.05486	0.5
81.03420	0.5
85.02890	1.1
87.04457	0.5
89.03948	0.7
91.05470	1.9
97.02885	0.9
101.81596	0.4
103.05443	1.0
107.04878	0.4
109.02818	0.5
117.03382	1.1
119.04926	1.2
119.08509	0.5
121.02810	0.4
125.61826	0.4
127.03902	0.8
129.03371	1.1
131.04926	1.0
133.02858	0.9
135.04364	0.6
139.03928	2.6
143.07002	0.4
145.02866	2.1
146.05998	0.5
147.04445	3.2
147.05440	0.6
153.01877	0.5
153.05460	4.2
157.02847	1.7
163.03944	2.1
166.04971	0.6
173.02351	4.7
175.03928	3.7
185.02338	2.0
187.03926	2.3
189.01944	0.5
190.08582	0.6
191.03410	2.7
198.19485	0.5
201.01830	11.5
203.03398	6.0
204.13951	0.4
207.02945	0.9
213.01808	2.4
215.03389	1.8
217.01382	1.0
219.02928	2.5
229.01312	7.9
231.02870	9.4
241.01357	1.7
243.02852	0.4
247.02399	7.1
257.00815	19.8
259.02386	16.7
259.05157	0.6
274.88922	0.4
275.01855	18.3
277.03421	11.4
277.15610	0.4
285.00287	14.3
285.11545	0.5
286.00961	1.0
303.01343	100.0
304.01797	1.1
321.02402	11.6
321.14240	0.9
322.69061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.05511	10.4
56.40053	1.2
56.58382	1.1
56.68586	1.0
57.07061	2.9
65.03947	1.8
67.05505	86.4
69.07071	9.7
69.80909	4.4
71.04987	1.3
79.05054	1.9
79.05491	27.7
79.05955	1.4
81.03456	1.1
81.07056	100.0
83.04973	1.6
83.08627	5.4
85.02902	13.0
85.06538	3.5
91.05479	17.7
92.75292	1.0
93.06466	1.7
93.07045	31.4
95.04969	4.2
95.08607	63.7
97.02811	1.0
97.06537	3.5
97.10152	2.6
99.08064	1.6
105.07035	13.2
107.08588	21.5
109.06500	2.0
109.10158	38.5
111.08084	1.5
113.06008	2.7
117.07024	5.8
119.08586	12.0
121.06512	1.8
121.10140	17.5
123.04436	1.0
123.08081	1.8
123.11710	23.5
125.09605	2.0
127.03899	2.2
129.07062	1.4
131.08569	13.8
133.10132	7.9
135.11688	14.7
137.05942	3.3
137.09590	2.5
137.13243	10.4
139.03775	1.1
139.07574	1.1
145.10094	10.4
147.08064	1.2
147.11684	8.4
149.09631	1.7
149.13249	9.1
151.07582	1.2
151.14781	2.4
153.01828	4.1
153.05493	2.8
153.12622	1.6
155.07037	11.1
157.10130	1.8
159.11699	8.6
161.13286	6.0
163.14812	7.7
165.09137	1.3
165.12749	1.8
167.03461	2.0
167.07089	4.9
171.11746	1.9
173.13252	8.3
175.14761	3.3
175.46283	1.1
177.16367	1.9
181.04985	16.5
183.02879	3.6
185.13176	1.8
187.14838	7.1
189.16431	1.3
191.07018	1.9
199.14830	1.7
201.16351	3.4
205.15732	1.1
207.06525	3.4
213.16418	2.0
215.17982	1.6
227.17833	1.3
233.22633	1.3
243.21057	15.3
259.20639	1.1
261.22119	25.7
273.03931	1.5
283.24237	3.7
301.14548	2.0
301.17978	1.4
301.21558	1.5
301.25153	3.5
310.68979	1.1
319.04456	12.7
319.07922	2.2
319.15359	4.2
319.19019	5.1
319.23157	1.3
319.26328	24.6
319.29959	2.2
320.04788	1.5
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
55.05503	2.2
57.02961	1.6
69.03428	6.2
70.06594	100.0
71.04994	6.0
71.56434	2.0
75.70177	1.5
81.03432	2.9
83.04971	6.9
84.05325	5.7
85.02916	5.4
95.04985	2.1
97.02930	3.8
98.06049	1.6
109.02876	2.4
111.04461	4.7
112.04761	1.9
112.07607	73.7
116.07091	21.3
123.04340	1.7
125.55673	1.6
127.03889	2.5
130.08665	3.5
139.03964	4.0
140.07057	11.8
153.01814	8.8
158.02740	3.6
158.08138	88.3
176.09186	1.9
231.02888	1.8
239.05026	3.1
247.02550	2.3
248.06532	1.8
248.72772	1.7
257.00934	3.3
259.02454	3.3
275.01880	4.0
277.03342	3.6
285.00232	2.8
299.24393	1.6
302.12363	2.7
303.01410	23.5
303.13281	1.8
320.13138	3.8
321.02518	3.0
321.14285	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	319.2269
Annotation	Divinylether polyneuric acid
Peak:m/z	Relative Intensity
53.03942	3.5
55.01878	9.2
55.05259	3.1
55.05515	55.5
57.03434	2.2
57.07080	12.1
63.23275	2.0
67.01863	3.7
67.05165	3.7
67.05508	50.3
68.99472	2.4
68.99795	24.6
69.03429	2.6
69.06724	4.1
69.07075	64.7
69.85157	1.6
71.08623	5.0
71.13298	2.9
71.13641	3.5
75.32313	1.9
79.05495	19.5
81.03431	5.6
81.07064	67.9
83.04989	11.1
83.08628	26.8
84.70473	1.8
85.02923	2.0
85.06544	3.8
89.06050	3.1
91.05478	16.9
93.07052	25.9
95.04963	7.5
95.08615	58.7
97.02874	3.9
97.06540	27.0
97.10189	17.4
105.07050	15.4
107.04975	3.4
107.08593	18.6
109.06523	6.7
109.10168	29.6
111.00819	49.1
111.03852	1.5
111.04465	15.1
111.08083	7.6
111.11737	3.1
117.07002	2.2
119.08586	14.5
121.06499	4.4
121.10169	11.3
123.04444	4.5
123.08093	9.7
123.11725	11.2
125.05985	7.9
125.09641	3.1
126.03172	3.7
127.03918	16.9
131.08586	3.5
133.10136	11.3
135.08040	6.0
135.11688	9.0
137.05956	2.7
137.09628	4.8
137.13229	5.1
139.03918	38.8
139.07568	4.1
141.05487	3.4
143.08670	2.8
145.10112	4.5
147.08049	4.9
147.11716	11.5
149.05902	2.4
149.09604	2.3
149.13277	5.7
151.07558	4.9
151.11185	2.2
151.14757	3.2
153.01863	2.3
153.05452	9.4
153.09090	5.7
153.12753	3.0
157.08611	2.7
157.10133	3.0
159.11687	5.5
161.09676	4.1
161.13249	11.3
163.04019	2.3
163.14867	2.9
165.05432	5.4
165.09123	6.2
165.12744	2.1
167.03404	24.2
167.07118	12.8
167.10704	5.1
168.00580	2.0
171.11661	3.2
173.13376	2.2
175.11278	3.2
175.14766	5.3
179.07051	4.4
179.10643	3.2
181.04933	6.5
181.08647	11.6
181.12271	4.7
183.02904	10.0
185.11771	1.9
185.13316	3.1
189.12753	3.8
191.14296	2.1
193.05019	2.3
193.12337	2.2
195.10213	12.8
195.13789	3.0
206.05765	20.6
207.10153	2.7
209.11720	17.9
209.15355	2.1
217.19531	9.5
219.06552	5.0
221.11798	3.4
223.13290	23.5
231.13858	4.0
231.21135	2.2
235.13213	6.9
237.14854	23.2
241.19536	2.4
249.14905	11.8
251.16475	11.0
259.20612	3.2
263.16422	13.2
277.18027	4.8
277.21625	5.5
301.21606	4.6
319.04462	6.1
319.07904	3.8
319.19009	100.0
319.22690	69.8
319.26398	6.2
319.29962	3.4
320.19360	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	319.2268
Annotation	2-[2-(2,3,3a,4,5,7a-Hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-5-heptenoic acid
Peak:m/z	Relative Intensity
50.23308	2.0
53.03923	3.4
54.83015	2.1
55.01873	14.8
55.05513	77.9
57.07079	12.6
65.03935	2.9
66.28395	1.8
67.01852	3.7
67.05508	77.3
67.05866	3.8
68.36773	2.0
68.99792	37.0
69.03416	5.4
69.07072	100.0
69.92829	11.2
71.01349	2.0
77.06593	1.8
77.48696	2.0
79.05128	2.0
79.05501	26.6
81.03417	10.8
81.07060	85.6
83.04977	16.0
83.08623	40.5
85.02903	3.3
85.06553	2.5
87.00811	3.2
88.07604	3.5
91.05476	21.2
93.07052	30.8
95.04986	13.1
95.08609	70.2
97.02895	4.4
97.06537	46.5
97.10166	24.1
98.20932	3.5
98.21452	2.2
99.04442	2.1
105.07042	21.2
107.04932	5.7
107.08603	25.0
109.02873	2.4
109.06530	12.9
109.10161	30.8
111.00806	73.7
111.04427	20.1
111.08069	8.5
111.11727	4.9
111.45655	2.1
115.05414	2.7
117.07000	4.8
119.08580	19.4
121.06475	6.0
121.10143	17.3
123.04430	3.5
123.08076	12.1
123.11701	10.8
125.05959	8.6
125.09621	4.2
126.03132	5.8
127.03917	23.4
129.06969	3.5
131.08545	6.2
133.06487	5.5
133.10127	13.9
135.08054	9.1
135.11687	13.6
137.05965	5.1
137.09578	7.5
137.13264	6.4
139.03917	60.0
139.07507	6.5
139.11137	5.8
141.05435	8.0
143.08546	2.9
145.10152	4.8
147.08023	8.4
147.11699	15.7
149.05963	4.5
149.09592	6.7
149.13229	6.6
151.07527	7.8
151.11139	4.8
151.14772	5.6
153.01840	51.0
153.05455	16.4
153.09059	6.2
153.12756	3.2
159.11725	4.1
161.05992	2.7
161.09586	5.5
161.13252	12.2
163.03842	3.5
163.07556	2.4
163.11136	2.1
163.14796	3.9
165.05457	5.5
165.09087	6.3
165.12837	4.3
167.03416	55.8
167.07051	16.6
167.10649	6.2
167.54352	2.3
168.00546	4.1
171.10207	4.0
171.11641	5.0
173.13206	3.9
175.07420	2.3
175.11201	4.3
175.14790	7.5
177.05478	2.8
177.12753	2.5
179.06956	4.1
179.10640	5.4
179.14284	2.8
181.04918	17.8
181.08614	11.4
181.12210	3.7
181.15761	2.0
183.02896	13.7
185.11734	3.7
185.13223	5.1
186.01591	4.2
189.12784	3.4
191.14249	2.4
191.17813	2.9
193.08549	4.5
193.12227	4.3
195.02849	3.6
195.10197	17.6
195.13783	3.3
199.14859	3.5
203.10590	3.5
203.14311	5.7
209.11717	23.0
217.04933	3.1
217.12300	2.3
217.19548	13.6
221.11603	4.8
223.13283	32.2
223.16682	2.6
231.13901	3.5
235.13287	10.6
237.14821	29.4
241.19501	5.0
249.14793	14.3
249.22032	2.8
251.16429	12.1
257.26721	3.0
259.20544	4.5
263.16437	18.9
271.27969	2.5
273.03812	4.3
273.22272	3.2
277.17960	8.5
277.21564	3.7
283.20459	3.5
301.14410	3.6
301.17999	3.2
301.21533	7.3
319.04398	27.2
319.08017	10.0
319.15170	4.3
319.18973	8.0
319.22626	89.4
319.30191	14.3
320.23093	3.6
323.87146	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	319.1903
Annotation	Ubiquinone
Peak:m/z	Relative Intensity
53.03926	1.0
53.99773	0.3
55.01876	1.9
55.05516	3.5
57.03426	1.0
60.42712	0.4
65.03921	0.8
67.05506	16.9
69.03414	0.7
69.07069	2.6
69.81771	1.8
71.04977	0.7
79.05063	0.6
79.05492	8.0
81.03404	0.5
81.07058	25.5
83.01345	2.3
83.04961	1.7
83.08595	0.9
85.02899	0.4
85.06534	0.5
91.05479	4.7
93.07050	3.6
95.04960	1.5
95.08604	4.0
97.02868	1.3
97.06535	2.1
98.20798	0.8
98.21445	0.8
105.07024	4.6
107.04980	0.9
107.08607	2.1
109.06503	1.5
109.10127	0.5
112.86189	0.4
117.06950	0.5
119.08571	4.2
121.06522	0.7
121.10130	4.6
123.04464	0.5
123.08032	1.3
123.11705	5.0
125.05972	1.6
127.03947	0.5
133.10100	0.5
135.04288	0.6
135.08025	1.1
137.05988	2.5
137.13229	0.8
139.07541	4.1
139.11160	1.3
145.10118	0.4
147.08051	1.3
147.11690	10.2
149.05965	0.6
151.07532	6.2
153.01833	0.7
153.05421	2.9
155.07031	12.5
157.07655	0.4
161.05948	0.6
163.03931	0.5
163.07579	0.4
165.05463	1.5
165.09105	1.5
165.12740	5.9
167.07042	46.6
168.07423	0.6
175.07581	2.5
175.08934	0.5
177.05521	0.9
177.09103	0.6
179.03395	1.5
179.07082	2.5
179.10684	0.5
181.04958	100.0
182.05298	1.7
183.02930	0.9
183.06499	1.5
189.09003	0.4
191.07054	3.8
193.04887	0.4
193.08624	4.5
197.04370	0.5
204.07849	0.5
205.08586	1.5
207.06412	0.4
207.10118	3.2
209.08141	3.4
217.08675	0.6
217.75974	0.4
219.10197	1.5
221.08208	0.7
221.11736	7.2
223.09647	1.2
231.10178	1.4
233.11713	1.0
235.09674	0.6
235.13286	5.1
236.08861	0.4
237.11230	0.5
245.12080	0.5
274.40320	0.4
296.05890	0.4
301.14728	0.4
301.17978	6.5
319.04492	2.5
319.08112	0.8
319.19055	22.1
319.30203	0.7
320.19415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1904
Annotation	6beta-Isobutyryloxysenberginone
Peak:m/z	Relative Intensity
53.03940	0.9
53.31763	0.4
55.01874	2.8
55.05511	3.5
55.61309	0.4
57.07074	0.8
58.98042	0.4
59.05003	0.5
65.03929	1.3
67.05506	25.2
68.99801	2.6
69.07063	3.6
70.70900	0.7
70.71237	0.8
71.04991	0.5
79.05498	4.5
81.03432	0.8
81.07061	24.9
83.04955	1.3
83.08609	1.4
85.06503	0.7
89.06026	0.7
91.05480	3.2
93.07035	4.6
95.04974	2.5
95.08609	23.1
96.02104	0.4
97.02869	0.6
97.06531	0.6
97.10111	0.6
97.85420	0.5
99.04437	0.7
105.07014	1.9
107.04948	0.6
107.08601	1.6
109.06512	1.2
109.10159	2.4
111.04483	0.8
113.09687	0.6
119.08599	2.9
121.10152	1.9
123.04417	2.8
123.08050	1.1
123.11720	0.5
124.01574	1.8
125.06043	0.4
133.10092	1.1
135.11671	3.0
137.02365	0.9
137.05936	1.5
137.13252	2.8
139.03922	1.9
139.11198	1.2
141.05479	6.2
151.07524	1.0
152.01021	2.9
153.05472	30.3
153.12750	1.8
161.13252	3.9
163.03905	0.5
165.05470	0.8
167.03404	100.0
167.07065	2.6
168.03743	1.3
169.04959	1.6
170.02129	3.2
175.07642	0.6
177.05484	2.7
179.07033	6.6
179.14317	3.4
181.04993	1.8
181.08675	0.5
183.02931	0.7
183.06660	0.6
191.07016	0.9
193.05070	0.6
195.06508	3.9
203.07074	0.6
205.08572	0.7
207.06691	0.4
207.10197	4.0
217.08572	1.2
219.10222	0.6
221.11728	1.0
231.10263	0.5
235.13362	1.6
265.25760	0.5
285.40005	0.4
301.17935	3.6
319.04498	1.5
319.08099	0.7
319.19040	19.3
320.19412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1904
Annotation	Ubiquinone
Peak:m/z	Relative Intensity
53.03942	1.1
55.01876	1.6
55.05513	2.7
57.03428	1.1
57.07072	0.6
61.70138	0.3
65.03938	0.8
67.05505	14.1
69.03420	0.7
69.07072	2.4
69.93416	1.1
70.06581	0.4
71.04967	0.6
75.06004	0.3
79.05050	0.5
79.05492	6.6
81.03395	0.4
81.07059	24.2
83.01345	2.1
83.04987	1.6
83.08631	0.4
85.06555	0.5
91.05480	4.4
93.05977	0.3
93.07055	4.2
95.04968	1.2
95.08615	3.8
97.02882	1.5
97.06538	3.1
98.20927	0.5
98.21472	0.5
105.07037	4.9
107.04971	1.7
107.08594	2.0
109.02868	0.4
109.06529	1.5
109.10159	0.8
111.04472	0.4
111.08118	0.3
117.06994	0.5
119.08583	3.9
121.06503	1.0
121.10158	3.8
123.08062	1.3
123.11711	4.8
125.06010	0.9
127.03926	0.5
135.04433	0.6
135.08076	0.9
135.11646	0.4
137.05971	2.0
138.06805	0.3
139.03978	0.3
139.07556	3.8
139.11195	1.2
141.05453	0.9
145.10109	0.4
147.08034	1.0
147.09138	0.3
147.11700	6.6
149.05959	0.3
149.09641	0.7
151.07545	6.7
153.05472	2.4
155.07036	12.9
163.03992	0.6
163.07542	0.7
165.05498	2.0
165.09117	1.2
165.12766	4.2
167.07050	42.9
168.07375	0.6
175.07571	2.0
177.05457	0.8
177.09087	0.9
179.03377	1.1
179.07086	2.9
179.10661	0.9
181.04962	100.0
182.05322	0.9
182.08907	0.3
183.06517	1.1
189.09084	0.5
191.07037	3.5
191.10605	0.3
193.08626	4.7
203.10704	0.4
205.08646	1.8
207.06541	0.4
207.10126	2.4
209.08113	4.0
217.08630	0.4
219.10190	1.0
221.08347	0.4
221.11717	6.0
223.09654	1.2
231.10236	1.4
233.11751	0.4
235.09756	0.3
235.13301	3.8
237.11224	0.5
245.11902	0.5
257.26736	1.2
259.13245	0.4
301.18021	6.3
317.56354	0.3
319.04584	0.7
319.19052	22.6
319.30301	2.9
320.19452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	2.0
55.05500	3.2
57.03437	1.7
65.03929	2.0
67.05171	1.2
67.05508	17.3
67.38830	0.9
69.07059	2.5
69.82446	2.1
69.82865	2.3
71.05003	0.9
79.05506	9.2
80.44769	0.8
81.07061	35.0
83.01337	3.9
83.04987	1.4
91.05482	6.3
93.07063	4.7
95.04969	2.0
95.08072	0.8
95.08594	5.8
97.06518	2.2
98.21220	2.9
105.07039	6.9
107.08582	3.5
109.06528	5.7
109.10132	1.1
119.08592	3.8
121.06512	2.5
121.10149	5.0
123.11712	5.3
125.06043	1.3
133.06569	1.9
135.08121	0.8
137.05984	7.8
138.03111	4.1
139.07503	1.6
139.11119	1.6
147.08089	1.4
147.11688	9.4
151.07616	4.4
153.01828	3.3
153.05455	5.4
155.07051	15.9
161.05983	2.9
165.05467	2.0
165.09119	2.1
165.12727	5.7
166.02660	4.3
167.07053	55.1
168.00368	1.0
176.04736	1.3
179.03314	1.0
179.07014	1.7
181.04970	100.0
181.08325	4.2
183.02953	1.3
183.06538	1.9
184.03664	5.2
191.07010	5.5
193.08604	8.5
201.23962	0.9
205.08632	1.2
207.10098	2.2
209.08067	5.4
217.08595	1.0
219.10202	1.1
221.11755	8.2
223.09720	1.7
231.10165	1.7
235.13239	4.4
271.28275	1.8
301.17957	6.2
319.04688	4.5
319.07843	1.0
319.15369	1.3
319.19073	17.5
319.30524	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	319.1905
Annotation	Salvidorol
Peak:m/z	Relative Intensity
50.55462	0.1
52.46247	0.1
56.55051	0.1
57.07064	0.2
67.05491	0.3
68.72411	0.1
68.99800	0.3
69.89237	0.7
70.71594	0.1
81.07048	0.6
91.05453	0.1
93.07027	0.2
95.08579	0.3
98.21234	0.3
105.07078	0.1
110.41258	0.1
116.81357	0.1
121.06489	0.2
121.10148	0.2
121.65080	0.1
124.01616	0.2
127.03973	0.2
137.05954	0.2
139.03856	0.4
147.11586	0.2
150.03195	0.3
152.01070	0.9
153.01834	6.3
163.03928	1.6
164.04680	0.7
167.03406	1.4
168.04102	0.2
169.04970	0.4
170.02106	0.6
171.02853	0.5
177.05457	0.3
178.06302	0.2
179.03381	0.8
181.04971	0.2
183.02908	0.3
191.03360	0.2
192.04185	13.4
193.04874	0.5
204.04112	0.2
205.04974	19.7
206.05748	7.6
207.06506	0.6
219.06522	3.6
219.09824	0.2
220.07202	0.2
233.08112	0.3
245.04396	0.2
247.09607	0.5
261.11273	0.9
269.70901	0.1
275.12836	0.5
289.14380	0.3
303.15811	0.2
304.16724	0.3
319.19043	100.0
320.19409	2.3
328.53909	0.2
341.84488	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01868	0.7
65.03922	0.3
67.01865	0.4
68.99788	5.3
69.03419	0.5
70.61096	0.6
70.61466	0.5
71.01339	0.3
81.03424	0.6
83.04931	0.3
93.03370	0.4
97.02911	0.6
98.21182	0.5
103.05489	0.4
109.02895	2.9
111.00797	4.7
111.04455	0.6
113.49100	0.3
121.02835	0.8
121.06483	0.4
123.04469	0.3
125.02389	0.6
126.03092	0.6
127.03901	0.7
131.04968	0.3
133.02831	0.6
133.06512	0.6
137.02344	5.0
139.03931	0.7
147.01039	0.3
147.04420	0.7
149.02415	0.4
153.01830	26.5
153.05457	0.9
155.04956	0.4
158.21204	0.3
159.04414	0.4
161.05974	0.7
165.01849	6.4
166.02631	1.3
171.04443	1.2
175.03941	0.8
177.05515	0.6
179.03404	3.2
183.02881	2.5
189.01796	0.4
189.05457	2.8
191.03462	0.4
193.01445	0.6
194.02151	0.5
195.02893	1.4
199.03931	0.9
203.03406	2.1
207.02827	0.8
216.04276	0.3
217.04971	9.2
219.02895	0.8
221.04489	0.9
227.03400	1.1
229.04939	0.9
231.02815	0.7
232.03745	0.6
233.04532	0.4
235.02518	0.4
235.06024	0.9
244.03720	0.7
245.04469	11.4
245.07002	0.6
255.02876	1.3
263.05533	1.6
272.03030	0.4
273.03952	9.0
290.04190	2.5
291.04953	0.4
301.03464	1.9
319.04486	100.0
320.04822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26005	13.4
56.96558	20.3
57.03413	24.1
61.02906	23.8
69.03413	32.9
70.36263	17.3
71.18171	29.5
73.02908	28.4
73.83813	13.7
74.71645	14.0
77.47365	15.6
81.03430	19.7
83.04974	37.6
85.02878	34.5
87.72770	14.6
97.02869	40.9
98.97576	27.3
99.40272	14.9
110.08086	14.3
119.01919	36.1
126.09263	16.4
136.03763	14.0
137.05922	21.5
143.01889	25.2
145.03423	20.4
153.01822	51.1
161.02925	21.0
166.05000	29.1
173.02937	32.3
183.02905	19.4
197.02924	18.2
213.98061	17.9
221.05115	30.0
245.66225	14.3
254.66370	18.3
283.10782	24.2
301.11862	31.9
319.07404	100.0
319.09680	48.7
319.13132	54.6
319.18579	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	319.0448
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.66362	0.2
55.01876	0.2
57.59127	0.2
65.03921	0.2
67.01863	0.4
68.99787	2.3
69.03418	0.3
69.06046	0.2
69.27340	0.9
69.27770	0.8
72.12436	0.2
77.26179	0.2
79.01868	0.2
81.03419	0.6
89.54424	0.2
97.02883	0.3
109.02888	1.7
111.00811	3.4
111.04427	0.7
115.05445	0.4
121.02866	0.3
121.06511	0.2
125.02366	0.5
127.03924	0.6
133.06526	0.3
137.02361	3.2
139.03883	0.4
147.04395	0.5
149.02347	0.3
149.06097	0.2
153.01828	17.0
153.05441	0.5
161.02379	0.2
161.05992	0.5
165.01842	4.9
166.02583	0.9
171.04349	0.7
175.03876	0.4
177.05455	0.5
179.03403	1.7
183.02922	1.7
183.04356	0.3
189.05492	1.5
193.01334	0.5
195.02867	1.1
199.03914	0.8
201.05460	0.3
203.03412	0.8
207.02902	0.6
214.15213	0.2
216.04208	0.5
217.04974	6.0
219.02831	0.4
221.04463	0.6
227.03392	0.6
229.05005	0.3
231.02843	0.5
232.03691	0.3
235.02434	0.3
235.05975	0.4
239.01828	0.3
244.03621	0.4
245.04457	7.6
255.03017	1.0
263.05484	1.0
272.03232	0.4
273.03961	6.8
283.02188	0.3
290.04156	1.9
291.04883	0.2
301.00555	0.2
301.03482	1.4
319.04483	100.0
320.04736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.37598	0.2
55.01866	0.5
57.55474	0.2
65.03935	0.4
67.01855	0.5
68.99431	0.3
68.99791	4.3
69.03421	0.5
69.48656	0.2
70.84321	0.4
70.84695	0.4
76.52451	0.2
78.54234	0.2
79.01865	0.4
81.03398	0.7
93.03382	0.4
97.02878	0.6
98.20995	0.3
103.05447	0.2
107.01313	0.2
109.02885	2.6
111.00805	4.5
111.04456	0.7
115.05447	0.3
119.01284	0.2
121.02852	0.5
121.06474	0.5
123.04453	0.2
124.50855	0.2
125.02348	0.7
126.03122	0.3
127.03929	0.7
133.02859	0.6
133.06488	0.4
137.02338	4.2
139.03889	0.7
143.03397	0.2
147.04401	0.6
149.02408	0.4
151.03850	0.2
153.01831	22.5
153.05356	0.4
155.03526	0.2
159.04361	0.3
161.02292	0.5
161.05972	1.1
163.03941	0.4
165.01839	5.9
166.02611	1.0
171.04430	0.8
177.05496	0.8
179.03386	2.7
183.02922	1.8
189.01895	0.4
189.05498	2.0
191.03365	0.2
193.01328	0.5
193.05014	0.3
194.02075	0.4
195.02921	1.2
199.03975	1.0
203.03378	1.6
204.04039	0.2
207.02866	0.8
214.78714	0.2
216.04105	0.3
217.04973	8.4
219.02928	0.5
221.04378	0.5
227.03397	0.6
229.04985	0.6
231.02902	0.6
232.03700	0.5
235.02327	0.5
235.06088	0.7
239.01918	0.2
244.03612	0.8
245.04465	9.3
255.02927	1.5
263.05527	1.0
272.03156	0.6
273.03943	7.1
279.72141	0.2
290.04230	2.0
291.05023	0.2
301.03464	1.6
319.04483	100.0
320.04773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Myricetin
Peak:m/z	Relative Intensity
59.13579	0.3
59.33278	0.3
59.71307	0.3
65.03932	0.4
67.01862	0.6
68.99795	3.4
70.93129	0.6
79.01848	0.3
81.03395	0.5
81.55576	0.3
93.03380	0.5
95.01287	0.3
97.02908	0.4
98.21023	0.6
103.05473	0.3
109.02888	2.3
111.00813	4.2
111.04427	0.8
118.97509	0.3
121.02882	0.6
121.06487	0.5
125.02351	0.6
126.03131	0.6
127.03986	0.7
137.02344	3.8
139.03893	0.9
143.03412	0.4
149.02342	0.4
153.01836	23.1
155.04851	0.4
161.05984	0.9
165.01833	4.4
166.02594	1.0
168.75734	0.3
171.04411	0.8
175.03961	0.7
177.05507	0.6
179.03380	2.7
183.02930	1.9
189.01823	0.5
189.05486	2.4
193.01358	0.6
195.02919	1.7
199.03908	0.9
203.03430	2.1
204.03941	0.4
207.02960	0.8
217.04990	8.4
219.02954	0.6
221.04434	0.6
227.03366	0.9
229.04886	0.7
231.02881	0.5
232.03784	0.4
235.02432	0.4
235.05966	0.6
243.74640	0.3
244.03696	0.6
245.04469	10.2
255.02904	1.4
263.05484	1.1
265.70554	0.3
269.17578	0.3
273.03925	8.1
273.06653	0.5
290.04190	1.7
301.03363	2.0
319.04495	100.0
320.04837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.95771	0.1
53.58804	0.1
55.01875	1.1
65.03949	0.4
67.05492	0.4
68.99796	2.4
69.71050	0.9
71.01325	0.2
71.21913	0.1
79.01855	0.2
81.03407	0.6
85.02920	0.5
91.05476	0.3
93.03404	0.7
95.01319	0.5
95.04985	1.0
97.02892	0.3
98.20869	0.3
98.21468	0.2
101.60468	0.1
102.15794	0.2
104.44489	0.2
105.03426	0.2
107.01350	0.3
107.04957	0.6
109.02873	0.5
111.04440	0.1
113.02374	0.5
115.05466	0.8
119.04963	0.2
121.02873	1.8
123.00796	0.8
123.04424	1.3
125.02370	1.1
127.00283	0.4
127.03914	0.3
131.04929	0.3
133.02869	0.3
133.06482	0.3
135.04442	0.3
137.02354	7.4
137.03418	0.6
139.00284	0.7
139.24725	0.2
141.01820	0.5
142.02579	0.2
143.04919	0.5
147.04408	1.3
149.02350	0.6
149.05969	0.4
151.03917	0.5
153.01843	1.8
155.03424	0.2
155.04810	0.2
157.02855	0.2
161.05981	0.6
163.03896	0.3
164.52116	0.1
166.99797	0.3
169.01332	14.6
171.02885	0.6
171.04428	2.2
175.03918	1.3
177.05542	0.5
181.01335	2.3
182.02080	0.3
185.00861	0.6
185.02313	0.2
187.04015	0.2
189.05534	0.9
191.03401	0.2
193.05002	0.1
195.02946	0.4
199.03917	3.0
203.03357	0.7
211.02460	0.2
217.04976	2.4
219.02939	0.2
227.03424	1.1
231.02652	0.2
235.06036	0.3
244.03665	0.4
245.04471	6.3
248.02983	0.2
249.03757	0.2
255.02899	0.7
263.05499	1.0
273.03949	4.1
290.04208	1.2
291.04868	0.2
301.03418	2.0
319.04489	100.0
320.04822	1.4
344.58249	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	319.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.85053	0.1
65.03944	0.6
67.05489	0.2
68.99786	2.4
71.01346	0.4
79.01870	0.2
79.05489	0.3
81.03407	0.7
85.02907	0.3
86.38655	0.1
91.05466	0.2
92.05019	0.3
93.03426	0.7
95.01344	0.6
95.04971	0.8
96.08128	0.1
97.02860	0.2
99.00786	0.2
103.05444	0.2
104.94492	0.1
105.03402	0.2
105.07034	0.2
107.01326	0.2
107.04952	0.6
109.02869	0.6
111.00755	0.2
111.04465	0.2
112.01608	0.1
113.02364	0.5
115.05469	0.6
117.62798	0.1
119.04942	0.4
120.19063	0.1
121.02874	1.6
123.00785	0.7
123.04440	1.4
125.02339	0.9
126.09163	0.3
127.00288	0.4
127.03914	0.3
131.04942	0.3
133.02835	0.2
133.06483	0.3
135.04399	0.3
137.02344	7.2
137.03374	0.3
139.00241	0.6
141.01831	0.4
142.02617	0.4
143.04948	0.4
147.04385	1.3
149.02383	0.5
149.05928	0.2
151.00259	0.2
151.03879	0.2
152.07074	0.8
153.01830	2.6
155.04825	0.1
157.02826	0.2
158.71864	0.1
158.74919	0.1
159.04434	0.2
161.06010	0.6
163.03893	0.4
165.01843	0.2
166.05003	1.5
166.99777	0.3
168.00587	0.3
169.01331	14.6
171.02896	0.5
171.04417	2.1
175.03923	1.2
176.03416	0.1
177.01849	0.1
177.05511	0.1
179.03316	0.3
181.01315	2.5
182.02116	0.2
182.04562	0.2
185.00896	0.6
187.03896	0.2
189.05510	1.0
191.03372	0.1
193.04950	0.2
194.04539	0.2
195.02917	0.5
199.03918	3.2
200.04608	0.2
203.03369	0.8
207.02882	0.2
207.06384	0.2
209.00896	0.2
211.02377	0.2
217.04988	2.8
219.02908	0.3
219.19292	0.1
221.04573	0.3
227.03392	1.2
228.04356	0.2
229.09969	0.1
231.02905	0.1
235.02217	0.1
235.05963	0.3
244.03670	0.5
245.04460	6.8
253.09799	0.2
255.03050	0.7
262.04849	0.1
263.05518	1.0
271.10776	0.4
273.03937	4.5
283.10779	1.1
290.04187	1.1
291.04727	0.4
301.03479	2.4
301.11884	0.8
307.72989	0.1
319.04480	100.0
320.04889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0585
Annotation	Plakortamine A
Peak:m/z	Relative Intensity
50.00675	1.8
57.25193	1.9
67.69473	1.9
69.87455	5.8
69.87863	3.0
72.55723	1.5
84.29361	1.7
85.66307	1.8
98.20906	3.2
98.21432	2.6
137.14703	1.6
145.22121	1.5
241.45544	1.9
318.05878	100.0
342.18744	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	318.059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66317	2.1
55.01838	3.0
56.96562	2.1
57.03442	2.8
61.02910	8.2
69.03426	3.7
71.17330	4.1
80.15689	1.8
83.09708	2.1
83.24774	2.4
85.01068	1.9
85.02899	7.2
94.21815	2.2
97.02886	3.0
98.97581	3.9
101.00867	3.6
104.09421	1.9
108.74614	1.9
119.01872	6.1
120.01981	4.4
128.02306	2.5
128.98619	3.5
129.16006	2.0
132.02029	3.1
137.02866	3.5
138.05511	9.0
143.01962	2.1
153.01817	3.2
156.01967	3.7
156.06566	8.3
162.01714	2.5
174.03108	4.8
213.03395	9.8
222.03896	6.7
228.05786	2.3
311.06448	2.3
318.05881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01852	2.7
57.03429	5.3
61.02917	9.3
69.03436	22.0
70.06596	87.9
71.04994	3.4
71.56757	2.5
71.57186	2.3
72.73730	2.0
73.02913	4.5
81.03420	13.3
81.07066	3.7
84.04495	6.0
85.02907	100.0
86.09689	2.7
87.04462	2.4
88.27013	2.0
91.03944	6.3
91.05467	3.1
93.07031	3.5
97.02916	23.9
99.04415	3.4
103.03963	3.8
103.05442	3.2
109.02915	11.9
110.06007	2.2
110.27178	2.3
114.06974	2.2
121.06515	81.5
127.03940	20.4
128.06169	2.2
130.06531	4.5
132.04446	2.9
138.05511	7.0
138.09113	6.1
145.04973	43.1
145.06586	4.6
153.01826	8.8
154.02164	7.8
154.04985	4.7
155.02417	5.6
156.02628	7.0
156.06575	8.0
156.10182	15.6
157.07620	3.6
158.06018	7.0
159.08102	2.3
163.06009	4.9
166.05019	2.8
169.06516	3.5
174.21745	2.1
175.08710	8.1
187.07524	15.9
197.05977	3.2
202.07326	2.3
203.08148	3.8
205.08598	10.2
211.03906	2.6
211.07521	3.6
221.09193	20.6
225.05516	2.7
229.08646	5.2
246.09692	3.5
247.09769	3.4
262.64551	2.5
265.10855	2.9
318.06870	6.4
318.11005	30.2
318.14667	9.8
319.04340	2.5
319.08112	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01878	0.6
55.05513	0.6
57.03424	1.3
57.58953	0.4
59.60087	0.5
60.04530	0.6
61.02913	1.6
67.05499	0.7
67.84824	0.5
69.03426	4.0
69.07070	2.3
70.40804	0.7
70.41160	1.2
71.04972	1.0
73.02925	0.6
79.05489	0.6
81.03417	3.5
81.07069	0.5
82.06590	0.9
83.04967	0.5
85.02905	7.6
86.09707	21.3
91.03962	0.7
93.07031	1.8
95.08611	1.6
96.04485	2.7
96.08128	1.7
97.02885	3.1
97.05283	2.3
97.06534	1.3
98.21066	0.8
99.04450	1.2
100.07619	1.0
109.02884	3.2
109.06503	0.5
110.06039	6.1
110.09663	3.3
111.08096	0.8
120.08075	0.7
121.06521	1.4
125.08289	0.5
126.09156	8.7
127.03915	4.4
128.10721	13.6
138.09140	20.8
139.07526	1.6
145.04953	0.8
152.10669	0.8
156.10201	100.0
157.10574	1.0
166.04930	0.6
168.10300	1.1
180.10211	0.6
198.11302	0.6
222.11348	0.6
266.95761	0.5
300.14313	0.7
318.03256	0.6
318.11139	1.4
318.15469	2.3
319.04468	0.7
319.12701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
57.03430	1.5
60.04517	1.7
62.37600	0.5
66.61835	0.6
67.05496	0.9
68.99789	0.8
69.03436	3.3
69.07070	8.7
71.04998	2.4
71.08430	0.6
71.08763	1.0
72.04528	1.0
81.03423	12.7
83.05006	1.2
85.02914	4.9
86.09708	100.0
97.02873	1.5
98.20876	0.6
99.04477	3.9
109.02881	11.2
122.41882	0.8
127.03922	15.1
128.10721	76.7
129.11107	0.7
130.06554	1.3
132.10217	2.7
137.02341	2.0
138.02684	1.8
138.05533	0.7
153.01852	1.4
154.02243	1.6
155.02319	0.8
156.02660	0.8
156.06621	1.0
156.10202	13.4
157.07645	1.7
163.03932	0.9
164.04271	0.8
166.05977	0.9
169.01309	1.1
174.11336	2.1
188.04301	0.7
203.08188	1.7
216.03731	0.7
220.03296	0.7
244.03435	0.7
283.10803	0.8
290.03793	4.0
300.14478	2.2
301.11841	4.2
301.15469	3.2
318.03305	13.3
318.07300	1.0
318.11063	5.4
318.14764	1.2
319.04489	10.4
319.12820	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.04597	1.2
53.03938	3.8
55.01866	4.1
55.05303	1.0
55.05511	12.8
57.03401	1.4
57.07065	2.6
65.03948	3.0
67.05506	91.5
68.99789	11.8
69.07067	13.3
70.82547	2.7
71.01369	1.6
71.04995	1.5
74.88390	1.1
76.02636	1.2
77.03889	1.2
79.05061	2.0
79.05493	29.6
81.03407	2.9
81.07057	100.0
83.04975	6.8
83.08603	4.6
84.92223	1.1
88.78271	1.2
91.05477	14.0
93.07044	43.0
95.04964	5.4
95.08606	84.0
97.02857	2.6
97.06537	11.8
97.10150	2.6
100.77105	1.3
105.04506	1.8
105.07029	11.3
107.04967	3.7
107.08588	21.8
109.06497	6.4
109.10155	46.8
111.00817	23.6
111.04447	9.1
111.08115	3.1
117.06972	2.8
119.08582	7.3
120.14429	1.2
121.06495	3.3
121.10153	12.1
123.04423	3.0
123.08059	5.2
123.11694	19.1
125.05969	2.8
125.09524	1.5
127.03921	8.0
130.07620	1.2
131.08559	9.2
133.06479	1.5
133.10127	8.5
135.08058	2.8
135.11685	19.3
137.05978	1.9
137.09613	2.4
137.13284	8.4
139.03897	23.7
139.07510	3.1
139.11139	1.7
141.05434	2.4
143.08502	2.3
145.10143	6.6
147.08015	3.1
147.11659	3.9
149.05972	4.1
149.09633	2.7
149.13261	7.3
151.07484	1.9
151.11179	2.6
152.01057	2.6
153.05507	6.8
153.09081	1.7
157.08710	1.2
157.10077	2.8
159.11676	8.1
161.09526	2.5
161.13318	2.4
163.07533	3.9
163.11142	3.8
163.14766	2.3
165.05460	4.2
165.09132	4.9
167.03409	25.4
167.07037	5.4
167.10625	1.5
168.00513	2.4
171.11682	2.0
173.09589	3.0
173.13246	4.2
177.09122	1.6
177.12749	3.6
179.06995	4.7
179.10677	2.1
181.08572	7.5
183.11700	3.8
187.11195	4.8
187.14679	1.6
189.12660	1.5
189.16391	2.2
191.18027	1.8
193.12177	1.8
195.06598	2.0
195.10248	9.4
197.13268	2.5
201.12747	5.3
201.16403	1.4
207.10133	2.1
209.11752	14.3
215.10709	3.0
215.14310	3.7
215.17917	5.9
221.11685	2.2
223.13287	16.4
229.12259	3.9
229.15924	1.8
235.13245	7.2
237.14868	7.9
239.17929	2.2
243.13777	4.7
247.13225	1.8
249.14783	2.9
253.19403	2.2
257.15356	2.2
257.19064	4.1
261.14944	7.8
271.20523	3.0
275.16492	4.1
275.20038	2.7
281.19150	2.2
299.20062	11.9
302.04181	4.2
317.06491	5.9
317.17572	6.0
317.21082	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03941	2.9
55.01854	4.5
55.05510	13.2
57.07056	4.4
65.03924	2.2
67.05508	95.3
67.47996	1.5
68.99805	11.0
69.07073	12.0
71.04955	1.8
71.06901	2.8
71.07234	2.0
79.05068	1.7
79.05494	30.9
79.74754	1.6
81.07062	100.0
82.07391	1.8
83.04958	6.1
83.08610	6.9
91.05492	13.8
93.07050	36.8
95.04956	4.0
95.08611	88.0
97.06539	12.9
97.10152	2.8
105.07036	10.6
107.04942	3.2
107.08604	17.9
109.06501	5.8
109.09464	3.0
109.10161	48.0
111.00803	22.3
111.04440	7.4
111.08058	2.1
117.06998	5.7
119.08566	7.9
121.06468	2.7
121.10145	14.2
123.04414	3.8
123.08088	3.3
123.11713	21.0
125.05987	2.4
127.03970	7.7
127.48785	1.5
129.07051	2.1
131.08601	8.2
133.10147	7.6
135.08034	4.2
135.11710	13.0
137.13277	9.2
139.03917	17.0
139.07541	1.8
141.05417	3.3
143.08580	2.5
145.10098	8.1
147.08026	2.8
147.11688	5.1
149.05966	4.9
149.09604	3.2
149.13289	8.4
151.07573	2.5
153.05455	2.9
153.09062	2.5
155.08588	2.4
157.10188	1.7
159.11670	6.6
159.13458	1.5
161.09673	2.8
161.13306	2.4
163.07544	5.3
163.11159	2.5
163.14810	3.4
165.05461	3.1
165.09074	4.2
167.03366	10.6
167.61777	1.7
169.10167	2.5
173.09583	4.0
173.13303	3.5
177.12708	4.0
179.07022	4.7
179.10686	3.3
179.14313	2.1
181.08563	7.6
183.11662	4.3
187.11220	5.8
191.14192	1.8
191.17923	2.3
193.08659	2.9
195.10194	8.6
201.09094	1.6
201.12791	4.5
209.11751	15.0
211.14864	2.0
215.10660	2.9
215.14264	4.5
215.17909	5.9
219.13791	1.8
221.11784	4.0
223.13275	16.2
229.12267	4.0
229.19608	3.0
235.13248	3.8
237.14832	7.3
243.13718	5.1
247.13403	2.4
251.16469	4.1
253.19492	2.8
257.15417	2.3
257.19043	3.3
261.14865	6.4
271.20560	4.7
275.16232	2.8
275.19983	2.4
299.19974	9.4
302.04034	4.8
317.06534	2.5
317.17822	3.0
317.21100	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03941	1.9
55.01863	2.0
55.05511	3.7
57.07071	2.0
65.03931	0.7
67.05173	0.9
67.05509	16.1
68.99789	2.1
69.03405	0.8
69.07074	4.1
69.86217	2.5
72.54793	0.5
77.03925	1.1
79.05498	21.1
81.03409	1.1
81.07060	13.8
83.04955	1.6
83.08629	0.7
85.06561	0.7
91.04957	0.9
91.05484	10.4
93.07050	33.9
95.04989	4.8
95.08615	13.5
97.02885	0.8
97.06500	1.2
98.21426	0.7
105.07027	4.7
107.04980	0.9
107.08599	13.6
109.06521	2.1
109.10159	3.6
111.00803	1.7
111.04437	1.6
111.08093	1.3
117.07001	1.6
119.08592	1.6
120.67177	0.5
121.06496	1.1
121.10131	1.1
123.04420	2.2
123.11720	2.1
124.01572	2.2
125.05992	0.8
127.03941	0.7
131.08582	2.1
133.10161	4.6
135.08072	1.7
135.11696	24.0
137.05972	1.7
137.09677	0.8
139.03909	3.3
141.05452	3.8
145.10138	0.9
147.11705	0.8
149.05980	0.8
149.13211	3.0
150.08832	0.6
151.07594	0.5
152.01065	2.4
153.05469	17.8
159.11687	3.9
163.07591	0.8
165.05501	1.6
167.03409	100.0
167.07127	2.7
168.03708	0.8
169.04982	1.0
170.02119	3.3
177.05490	2.1
177.12781	4.5
179.07036	2.8
181.04974	0.8
181.08614	0.9
183.11763	0.9
187.11154	0.7
191.07083	1.0
195.06557	4.9
205.08572	1.0
207.10219	1.5
209.08125	2.0
209.11728	0.9
215.17943	1.0
221.11816	0.7
223.13290	1.3
233.11819	0.6
235.09712	1.0
275.16412	0.6
299.16431	2.1
302.04294	1.3
317.03061	0.8
317.06610	1.7
317.17468	15.0
317.21133	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	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
53.03940	3.8
55.01866	4.4
55.05508	6.6
57.03437	1.2
65.03935	3.1
67.01884	1.4
67.05506	46.9
68.99786	4.1
69.03419	5.3
69.07090	6.7
71.02908	2.8
79.05497	21.4
81.03410	2.2
81.07060	50.2
83.04955	2.6
83.08627	3.5
85.02926	1.3
91.05486	16.2
93.06466	2.1
93.07048	36.0
95.04980	3.4
95.08041	2.1
95.08610	29.0
97.02886	1.1
97.06546	2.5
103.05564	1.3
104.88273	1.4
105.07043	11.2
107.04936	3.1
107.08602	21.3
109.06498	4.1
109.10153	7.9
111.00806	2.0
111.04404	1.6
115.05435	1.6
117.06996	5.2
119.08582	7.3
121.06580	1.3
121.10144	5.5
123.04420	5.3
125.05959	2.3
127.03934	12.0
127.25236	1.2
131.08572	8.9
133.10112	6.7
135.04440	1.9
135.08084	1.6
135.11708	11.3
137.02390	1.3
137.05981	3.8
139.03906	61.4
141.01866	2.2
141.05444	2.7
145.10135	2.8
147.11696	28.1
149.06004	4.0
149.13269	21.4
151.03906	12.3
151.11360	1.2
153.01836	93.6
153.05461	16.6
155.03410	2.2
159.11679	5.3
161.05978	2.7
161.13283	2.8
163.03909	11.0
163.14873	2.3
165.01865	17.9
165.05486	14.9
167.03413	29.9
167.07074	2.0
168.00516	2.4
169.04980	2.0
171.02930	1.3
173.13293	16.4
175.03960	2.0
175.07469	1.7
177.05466	14.6
177.12775	2.6
179.03426	13.1
179.06960	6.7
181.04984	13.9
183.02882	10.6
186.01602	3.3
189.05563	2.7
189.09056	1.2
191.03345	2.9
191.07030	4.0
191.14346	7.2
193.05000	8.6
193.08623	5.3
195.06538	5.8
203.07028	7.6
205.04970	2.3
205.08630	5.2
207.06592	2.0
207.10236	2.2
209.08067	3.0
215.14032	1.3
217.08481	6.0
219.10210	4.2
223.09561	1.5
231.10175	3.1
233.11722	3.1
243.10078	1.4
250.89417	1.5
281.15302	1.4
299.16443	27.4
302.04230	15.6
317.03043	1.1
317.06573	16.7
317.17477	100.0
318.07144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
50.06504	0.4
51.02388	0.5
53.03950	4.1
55.01870	2.6
55.05513	3.4
57.03440	0.7
57.07074	3.2
60.04509	0.7
62.66749	0.4
65.03935	1.1
67.05504	12.1
68.99792	2.8
69.03438	0.4
69.07079	2.8
69.89106	2.1
71.05006	0.7
77.03913	0.7
79.05493	29.0
81.03417	2.8
81.07053	7.1
83.04980	0.7
83.08636	0.5
85.00474	0.3
91.05480	14.3
93.07046	56.8
94.07387	0.6
95.04971	7.1
95.08616	3.5
97.02918	0.4
97.06538	1.0
99.04429	0.4
105.04518	1.1
105.07034	3.7
107.04963	1.7
107.08595	13.4
109.06529	1.0
109.10152	1.7
111.04459	1.2
117.07030	2.0
119.04941	0.7
119.08595	1.6
121.06518	1.5
121.10144	1.2
123.04434	3.7
123.08092	0.5
123.11619	0.5
124.01579	1.6
125.05981	0.5
131.08571	1.9
133.06523	0.6
133.10135	4.2
135.08064	1.2
135.11699	43.9
136.12064	0.5
137.02348	0.9
137.05989	2.5
137.09639	1.2
139.03877	2.1
141.05450	5.0
147.04356	0.4
149.13269	4.1
151.03902	0.6
151.07571	1.1
151.11183	0.9
152.01018	2.8
153.05469	28.7
159.11722	3.7
163.03987	0.9
165.05482	2.0
167.03404	100.0
167.07033	3.3
168.03737	0.7
169.04994	0.8
170.02100	2.5
177.05489	4.3
177.12753	11.4
179.07040	4.7
181.04993	1.2
181.08606	0.6
183.06552	1.1
190.06409	0.4
191.07069	1.5
193.04878	0.5
193.08533	0.4
195.06546	12.0
203.07034	0.5
205.08633	1.5
207.06596	0.5
207.10219	0.4
209.08133	0.8
215.06967	0.8
217.08618	0.7
221.08116	0.9
221.11687	0.7
233.08070	1.1
234.08595	0.4
235.09697	1.2
235.13141	0.5
247.09703	0.6
250.91525	0.4
257.11667	0.8
259.13092	0.5
261.85764	0.4
271.12759	0.4
273.14706	0.5
299.16412	5.0
302.04306	1.0
317.03024	0.5
317.06622	1.1
317.14410	0.5
317.17505	13.2
317.21005	0.8
318.17786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1748
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
53.03951	2.7
55.01873	2.6
55.05507	3.2
57.07064	1.5
67.05170	0.7
67.05506	10.6
68.99785	2.4
69.03435	0.7
69.07079	2.6
70.83387	1.4
71.04995	0.7
79.05501	21.6
81.03398	1.4
81.07059	7.9
83.04982	1.3
91.05487	12.5
93.07051	39.6
95.04526	0.5
95.04981	5.3
95.08609	5.4
97.06546	0.6
98.20988	0.8
103.05499	0.8
105.04494	1.4
105.07034	3.8
107.04941	0.8
107.08598	12.7
109.06551	0.9
109.10150	1.6
111.08064	1.1
117.07016	2.3
119.08571	1.4
121.06492	0.7
121.10149	0.8
123.04427	2.1
124.01590	2.6
125.05964	0.7
131.08566	1.8
133.10141	4.8
135.08051	1.0
135.11702	26.4
137.05951	0.8
137.09634	0.7
139.03909	2.1
141.05492	4.1
149.13266	3.0
151.03952	0.7
151.11130	0.8
152.01070	2.7
153.05478	22.4
159.11684	3.7
163.03984	0.7
163.07584	0.6
165.05486	1.4
167.03410	100.0
167.07059	3.2
168.00558	0.8
168.03764	0.8
169.04955	1.5
170.02089	2.9
177.05502	2.3
177.12769	5.8
179.07040	3.8
181.04996	0.9
191.07051	1.6
195.06546	6.1
205.08586	0.9
207.10179	1.4
209.08092	2.0
217.08633	1.2
233.11699	0.8
257.11679	0.7
275.12756	0.6
299.16379	2.3
302.04260	2.1
317.06573	2.8
317.17493	15.0
317.25037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03930	0.8
67.05489	0.2
68.99778	0.6
69.03423	0.4
69.38302	1.2
73.01060	0.2
79.05492	0.4
81.03400	0.4
81.07050	0.6
84.25544	0.2
85.02875	0.2
85.79826	0.2
91.05481	0.2
92.02624	2.7
93.03411	2.5
95.01351	0.2
95.04964	0.4
95.08619	0.3
104.69349	0.2
105.07043	0.3
107.04939	0.7
109.02888	0.5
109.06536	0.2
109.10142	0.4
111.00825	0.4
117.07053	0.3
121.02873	2.1
122.03674	0.4
123.04450	0.6
126.03152	1.1
131.04927	0.2
137.02332	1.0
137.05991	0.5
139.03900	1.6
141.05440	0.2
143.04829	0.2
145.06476	0.2
147.04417	0.3
150.03123	0.3
151.03918	1.5
153.01834	17.9
154.02219	0.3
155.02313	0.5
161.05901	0.2
163.03952	0.5
165.01834	1.2
165.05473	1.1
166.02650	0.3
173.05974	0.4
177.05490	0.3
179.03398	0.3
183.02956	0.2
183.04340	0.4
187.03958	0.4
190.06288	0.3
200.04689	0.8
201.05490	1.3
203.03413	1.9
204.04173	0.4
217.05002	3.2
218.05704	1.2
219.02948	0.6
225.09053	0.3
228.04160	3.5
228.62756	0.3
229.04977	7.6
231.02892	0.9
242.88940	0.2
243.06558	0.2
245.04457	3.8
246.05232	3.4
256.03723	0.6
257.04459	4.3
259.02213	0.3
260.03320	1.0
261.07663	0.6
267.02829	0.3
271.06100	0.3
273.03958	3.2
274.04742	6.8
284.03113	0.9
285.03946	7.7
285.10962	0.3
287.01999	0.2
288.06308	0.3
299.09265	0.2
301.03351	0.7
302.04224	23.1
303.04773	0.3
317.06567	100.0
318.06989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01864	1.8
55.05516	3.3
57.07064	0.5
60.04513	1.6
65.03922	1.4
66.53481	0.5
67.01867	2.2
67.05505	11.4
68.99792	2.6
69.03418	1.6
69.07066	1.9
71.04990	0.8
71.58227	0.7
79.05493	20.9
81.03408	1.6
81.07058	17.2
81.29032	0.5
82.23773	0.6
83.01351	0.6
83.04974	1.2
91.05482	10.0
93.07047	25.8
95.04967	3.5
95.08608	3.2
97.02900	0.9
97.06541	0.6
99.04459	1.0
105.07028	4.2
106.68134	0.6
107.04932	1.0
107.08592	16.6
109.06491	2.0
109.10158	2.0
111.04438	1.0
116.20432	0.5
117.07035	2.8
119.08579	3.2
121.06537	0.7
121.10151	6.6
123.04424	1.9
123.08081	0.8
123.11729	2.9
124.01543	0.6
125.02332	1.6
125.05959	0.7
127.03919	10.7
129.06967	0.9
131.08562	4.0
133.06476	0.5
133.10139	1.8
135.04414	0.8
135.08063	0.8
135.11697	4.1
137.02313	0.7
137.05969	1.0
139.03926	3.0
141.05449	2.6
145.10117	2.1
147.11646	3.0
149.09613	3.7
149.13263	0.6
151.03917	1.0
151.07495	0.6
152.01060	0.7
153.01831	100.0
153.05330	4.4
154.02185	0.7
159.11699	2.5
163.03860	1.1
163.11244	1.0
165.05457	1.6
165.12755	0.8
167.03401	26.8
167.07005	1.4
168.00508	1.0
169.04956	1.9
170.02135	1.0
171.02866	2.8
173.09503	0.5
177.05461	2.1
177.12740	1.5
179.03413	2.9
179.07057	1.6
181.04947	2.1
183.06665	0.5
183.11717	0.8
186.01602	1.3
186.49933	0.5
191.03452	0.6
191.07037	1.0
191.10669	2.2
193.04959	7.7
195.02896	27.2
195.06572	1.1
205.04947	4.5
205.08627	0.6
206.05724	0.8
207.06595	0.6
217.05005	0.7
219.06575	3.2
227.02112	0.6
229.04974	1.2
231.06534	1.2
233.07967	0.7
235.06010	1.3
257.11813	1.7
299.12775	5.2
299.16391	1.8
299.19745	0.6
299.27359	0.5
302.04211	7.3
303.11627	0.5
317.02921	1.3
317.06537	7.4
317.13907	2.7
317.17480	28.7
317.20990	1.7
317.24893	1.3
317.28680	1.0
317.32193	1.2
318.17831	1.0
318.29984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02224	0.7
58.66397	0.7
69.03429	1.8
69.33030	6.5
79.05486	0.8
81.03419	1.9
81.07049	1.7
82.03740	1.1
85.02894	1.3
85.35353	0.7
97.02901	0.7
109.02868	1.4
109.06502	1.3
110.06017	1.1
122.52863	0.7
124.07538	1.9
125.02370	1.5
126.02674	0.9
126.09158	0.8
127.03966	0.7
137.02347	2.5
138.09129	2.0
139.06282	0.9
143.03441	1.2
144.03737	1.1
153.01820	15.7
153.02959	1.5
154.02159	15.4
154.08626	100.0
163.03920	2.3
164.72163	0.7
187.03835	1.1
218.36848	0.6
219.02916	1.1
289.03397	3.2
298.06293	1.7
316.13766	2.8
317.02933	11.0
317.06476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05514	5.3
56.05035	4.3
57.03455	0.9
57.07093	2.0
60.04527	100.0
60.35021	0.6
63.13541	0.6
67.05504	9.4
68.05040	0.9
69.07063	4.1
70.06600	1.7
70.71024	1.5
70.71386	1.0
71.04966	0.8
71.08630	1.1
72.04526	2.2
74.06081	1.8
79.05494	3.7
80.05038	1.1
81.07057	9.2
82.06584	1.5
83.08653	3.5
87.04475	2.5
89.96262	0.6
90.05556	2.3
91.05482	3.0
93.07056	3.4
94.06596	0.7
95.04989	0.9
95.07374	0.7
95.08614	6.7
96.08123	0.7
97.06571	0.8
97.10172	2.2
100.07619	0.6
102.05496	0.7
105.07051	1.6
107.08593	1.9
109.10164	3.1
113.72745	0.6
119.08582	0.8
119.45045	0.8
121.10130	1.9
123.11710	0.8
129.30058	0.6
133.10107	0.9
135.11848	0.7
141.65872	0.6
146.87112	0.8
232.12163	0.7
245.22609	0.9
250.25378	2.0
256.26349	1.4
262.25385	1.3
268.26160	1.2
280.26352	13.6
298.27402	14.4
302.04190	0.9
304.82715	0.7
316.28467	40.5
317.06598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	19-Oxo-all-trans-retinoic acid
Peak:m/z	Relative Intensity
53.03943	3.6
55.01855	5.1
55.05507	13.3
57.03415	1.5
57.07059	3.2
65.03934	3.1
67.01873	1.5
67.05175	1.7
67.05506	25.0
68.99791	17.9
69.03429	3.7
69.07071	10.5
71.01355	2.2
71.29463	1.4
71.37572	3.4
79.05057	2.3
79.05495	41.1
81.03400	4.5
81.07058	32.0
83.04968	5.1
83.08607	5.6
87.00802	1.7
91.05482	39.2
93.07044	60.3
95.04962	6.9
95.08611	30.0
97.02898	1.8
97.06538	11.9
97.10166	2.7
98.21235	1.7
105.07032	45.4
107.04950	5.6
107.08599	38.9
109.06506	4.9
109.10166	11.1
109.54742	1.7
111.00797	24.2
111.04438	8.6
111.08047	2.3
117.07005	4.3
119.08585	21.0
121.06477	4.1
121.10145	22.9
123.04413	3.6
123.08052	3.5
123.11687	2.6
125.06003	4.2
126.03188	1.5
127.03904	6.5
128.06227	1.5
129.06990	5.0
131.08566	13.0
133.06467	3.2
133.10127	63.0
135.08049	8.5
135.11702	33.4
137.09615	2.2
137.13293	1.8
139.03897	16.2
139.07487	2.2
141.05438	4.5
143.08536	7.1
145.10130	14.5
145.86374	1.6
147.08037	3.0
147.11688	31.2
148.11972	1.4
149.05984	3.3
149.09615	3.3
149.13286	4.4
151.07491	2.8
153.01796	2.6
153.05463	6.2
153.09096	1.6
156.09277	2.0
157.10123	7.3
159.07962	1.9
159.11711	9.2
161.09578	3.8
161.13297	10.0
163.07466	1.8
163.11177	2.5
165.05470	5.4
165.09073	2.6
167.03404	45.1
167.07083	2.4
167.10655	1.6
169.10109	3.3
170.02122	1.8
171.11726	8.7
173.09599	2.6
173.13268	4.0
175.11163	6.8
175.14922	2.1
177.09152	1.5
177.12721	3.5
179.07021	4.0
179.10703	2.8
181.08611	4.8
181.10161	1.6
183.06403	2.0
185.09689	1.6
185.13266	6.0
187.11224	2.1
187.14841	6.5
189.12712	4.0
189.16299	8.3
193.08548	1.7
195.10037	2.8
195.11687	1.8
199.11154	4.2
199.14822	1.9
203.14153	2.1
203.17941	1.7
209.11595	3.0
209.13309	2.0
211.14847	2.4
213.09242	1.7
213.12753	3.3
213.16382	17.5
215.10568	1.9
219.06479	4.5
219.10043	2.0
221.08208	2.6
221.11621	2.9
223.13245	2.0
227.10657	1.6
227.17879	4.2
231.17334	4.8
235.13316	8.6
237.16315	5.6
244.14020	1.8
245.11795	2.8
251.17867	2.7
253.19518	2.1
255.13908	1.9
255.17349	7.9
259.13287	5.9
269.18921	5.7
273.14841	7.1
273.18265	2.8
279.17310	3.3
287.16254	8.0
297.15237	2.4
297.18445	20.3
300.06195	3.1
305.33774	1.5
315.08804	8.3
315.15857	17.6
315.19495	100.0
315.23111	5.7
315.34412	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	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
53.03946	4.3
55.01864	6.5
55.05520	17.3
57.03422	7.7
57.07066	11.5
58.07417	3.5
60.24012	3.2
67.05502	26.0
68.99815	16.2
69.03454	4.4
69.07067	14.5
71.04977	3.7
71.08641	7.4
71.12193	6.6
72.08954	3.0
79.05493	45.6
81.03427	3.1
81.07063	37.7
82.07394	3.6
83.04996	3.6
83.08623	9.0
85.10167	5.1
91.05489	35.7
93.07045	63.3
95.04962	7.3
95.08614	32.6
97.02912	3.4
97.06543	12.6
97.10159	3.5
97.51948	3.3
105.07033	40.1
107.04999	4.8
107.08595	35.3
109.06538	6.5
109.10164	10.9
111.00829	19.0
111.04425	8.0
111.08086	4.9
117.07040	13.8
119.08602	26.3
121.06475	4.4
121.10145	29.0
123.04454	2.8
123.08070	7.2
123.11730	5.0
125.05978	3.7
127.03935	7.8
127.08897	2.7
127.09992	2.9
129.07013	7.1
131.08571	18.6
133.06543	3.3
133.10150	33.5
135.08081	9.4
135.11710	29.0
137.06017	3.2
139.03903	15.7
141.05478	5.9
143.08574	5.6
145.10155	16.5
147.08044	5.3
147.11688	23.7
149.09607	4.2
149.13278	5.7
153.01843	13.4
153.05453	5.9
157.10133	8.7
159.11722	11.2
161.09665	6.7
161.13268	8.8
163.07504	4.7
163.11244	4.1
165.05583	4.9
165.09160	3.1
167.03427	13.6
171.11729	4.9
173.09650	4.8
173.13220	3.8
175.11227	7.5
175.14798	3.5
177.09146	3.5
177.12849	4.6
177.16573	3.3
181.08569	3.5
185.13295	5.5
187.11124	3.2
187.14839	9.4
189.16397	13.1
195.06555	8.4
195.10196	3.9
213.16441	18.5
221.11713	3.0
227.18030	6.1
231.17506	5.3
235.13231	5.1
237.16542	4.8
245.11731	3.9
251.17793	3.7
255.17542	6.6
259.13330	4.9
269.18939	6.9
273.14801	8.9
273.18436	5.4
279.17465	4.3
287.16663	9.2
297.18448	21.1
297.21832	5.5
300.06183	5.8
307.71072	3.6
315.08591	10.4
315.11865	6.7
315.15839	10.5
315.19528	100.0
315.23257	17.7
315.27444	23.0
315.34277	5.4
316.19986	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	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
53.03933	3.6
55.01864	3.4
55.05507	13.1
57.07057	2.7
62.41404	1.9
65.03923	2.3
67.05507	31.2
68.99791	14.1
69.00097	2.6
69.03439	2.0
69.07068	12.1
70.01920	1.7
71.01366	3.2
71.57658	2.4
79.05056	3.1
79.05497	44.5
81.03438	3.8
81.07058	30.6
83.04963	7.7
83.08619	5.2
85.06512	1.7
87.00816	1.8
91.05486	26.4
93.07043	57.8
95.04963	7.9
95.08614	25.3
97.02892	2.7
97.06521	11.3
97.10179	4.6
98.21158	2.6
105.07036	33.6
107.04930	5.4
107.08596	43.4
109.06520	4.8
109.10149	9.6
111.00790	24.4
111.04459	4.4
111.08058	3.6
117.07014	7.2
119.08578	22.8
121.06486	4.0
121.10139	23.9
123.04430	3.4
123.08076	4.8
125.05944	4.1
125.09590	3.7
127.03927	5.8
129.07007	5.3
131.08580	14.0
133.06590	2.1
133.10143	27.3
135.08032	4.3
135.11694	30.4
137.05971	2.5
139.03886	17.3
139.07651	2.3
141.05412	3.7
143.08575	5.6
145.10170	13.7
147.08080	4.1
147.11682	26.3
149.06010	4.3
149.09666	4.4
149.13245	6.6
151.11166	2.1
153.09053	2.8
157.10135	8.0
159.11691	8.9
161.09657	4.1
161.13258	10.3
162.58414	2.2
163.07527	4.5
163.11235	3.7
165.05421	3.6
165.09084	3.4
167.03406	5.4
167.07074	3.3
169.10172	2.5
171.11673	7.1
173.09639	2.6
175.07584	2.6
175.11176	5.6
177.12819	4.2
179.07043	3.6
181.08618	4.1
181.10152	2.9
183.11678	4.2
185.13275	7.7
187.11183	2.8
187.14803	5.7
189.12762	2.4
189.16385	11.4
190.09782	1.9
193.08636	3.9
195.10147	3.9
201.12650	2.2
213.12869	2.4
213.16360	19.2
214.17059	2.1
215.10725	2.0
217.12163	2.5
218.09102	2.2
223.13248	4.3
227.17964	5.4
231.17455	4.8
235.13283	7.3
237.16405	5.3
251.18074	2.8
255.17494	7.0
259.13327	8.5
265.15521	2.0
269.18997	5.4
269.22842	2.5
273.14865	10.8
273.18146	3.3
279.17596	3.2
287.16470	9.1
297.18430	20.2
300.06235	3.0
315.08539	7.1
315.15887	6.4
315.19556	100.0
315.22992	6.1
315.27255	3.3
315.34494	3.3
316.20123	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	315.159
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
51.61117	0.6
55.01867	1.3
55.05522	3.1
56.32624	0.7
57.07053	1.4
62.66989	0.5
67.05508	3.9
68.02188	0.6
68.99767	1.2
69.03427	0.7
69.07068	1.1
69.20230	0.6
69.69329	4.0
70.25193	0.7
73.07113	0.6
74.70914	0.5
77.67941	0.7
79.05493	3.7
81.03421	1.2
81.07061	2.7
91.05486	32.4
93.07047	7.2
95.04967	2.0
95.08606	1.5
98.21046	2.3
105.07033	45.2
107.04948	1.0
107.08600	2.4
109.10165	0.9
111.04442	0.7
117.06996	1.2
119.08588	4.8
121.06537	0.7
121.10196	1.0
123.04421	1.6
124.01590	1.2
124.72954	0.7
129.07030	1.1
131.08574	5.1
133.10135	87.6
134.10429	0.9
137.06013	1.9
139.03914	2.3
141.05482	1.9
145.10136	0.7
147.11694	22.6
152.01068	1.5
153.01894	0.8
153.05464	9.6
157.10152	2.4
161.05968	0.7
163.03918	0.7
165.05489	3.8
167.03406	100.0
168.03734	0.9
169.04955	0.6
170.02158	2.2
175.11180	5.7
176.04729	1.0
177.05499	1.4
179.07065	1.0
181.05032	1.5
183.06578	2.7
191.07031	0.7
193.08629	0.9
195.06543	2.3
196.90942	0.5
197.22195	0.8
203.07054	1.2
204.04338	0.8
217.08574	0.6
219.06537	14.0
219.10086	1.7
221.08110	5.1
260.53952	0.7
261.90195	0.7
273.14917	1.1
294.80661	0.8
297.14841	4.0
297.99008	0.6
300.06363	1.4
300.32153	0.6
315.08615	4.3
315.15936	49.1
315.19202	2.1
315.28046	2.3
315.34500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	CHEBI:66265
Peak:m/z	Relative Intensity
55.01868	0.7
55.05503	0.3
57.03421	0.4
65.03934	1.2
67.05502	4.6
69.03403	0.5
69.07057	0.4
71.07173	0.4
71.07503	0.5
79.01830	0.3
79.05491	1.5
81.03419	0.9
81.07044	0.8
81.35500	0.3
82.86271	0.3
83.01337	0.5
85.02901	0.5
91.05481	7.9
93.07029	1.0
95.04966	3.3
95.08617	0.6
96.05752	0.3
97.02888	0.3
98.21185	0.4
103.05410	0.4
105.07036	0.8
107.04952	4.0
107.08574	0.5
109.02877	0.6
111.04401	0.4
118.98509	0.3
119.04944	17.7
121.02867	0.9
121.06509	1.7
121.10101	0.4
123.04455	2.2
123.34991	0.3
124.05202	2.3
125.02501	0.3
127.04001	0.4
131.04907	0.4
135.04416	0.6
139.03880	1.3
139.07536	1.4
143.03355	0.7
146.03630	0.6
147.04407	45.7
148.04768	0.4
149.05984	0.7
152.04660	3.2
152.05882	0.4
153.01830	8.4
153.02921	0.4
153.05284	0.4
161.05942	1.6
163.03900	2.7
167.03416	6.9
167.07042	0.8
167.08508	0.3
171.02945	0.6
175.65692	0.3
179.03398	0.5
180.04202	1.3
181.04964	1.3
189.05495	0.7
193.08604	0.8
195.06529	100.0
196.06882	1.0
198.05190	0.3
213.07515	1.9
221.08142	0.6
222.06720	0.5
223.07578	1.0
237.09120	0.7
239.06950	0.5
240.07930	0.4
254.09183	0.4
255.10141	0.9
269.08038	0.5
273.11151	0.5
283.09653	3.9
296.62955	0.3
297.05966	0.4
297.11072	0.3
299.05515	0.5
300.06293	0.9
315.08850	4.6
315.12228	81.1
316.12537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	CHEBI:66265
Peak:m/z	Relative Intensity
50.01626	0.4
53.03945	0.6
55.01865	0.9
55.05504	0.6
64.41081	0.4
65.03934	1.0
67.05504	3.3
69.03421	1.0
69.07057	0.5
71.04974	0.4
79.01839	0.5
79.05489	1.3
81.03413	0.6
81.07046	1.4
83.04984	0.5
83.08596	0.5
91.05486	8.8
92.85779	0.4
93.07025	0.8
93.83556	0.4
95.04980	3.0
96.05766	0.6
98.20758	0.7
98.21412	1.2
105.07011	1.3
107.04950	4.1
109.02876	1.0
111.04452	0.6
119.04946	20.1
119.08492	0.5
121.02862	1.0
121.06495	1.7
121.10156	0.5
123.04429	2.4
124.05238	2.2
127.03949	0.5
127.07590	0.5
131.04906	0.7
139.03889	1.5
139.07501	0.8
143.03366	0.7
147.04413	47.8
148.04805	0.4
149.05951	0.7
150.17021	0.4
151.03886	0.6
152.04689	2.6
153.01834	10.7
153.02956	0.4
159.08055	0.5
161.05978	1.8
163.03914	2.0
165.05550	0.5
167.03409	7.1
167.07040	1.1
167.08424	0.5
171.02992	0.5
171.11540	0.4
177.06973	0.6
179.03459	0.5
180.04234	1.9
181.04948	1.8
189.05478	0.8
193.08626	0.7
194.07399	0.4
195.06534	100.0
196.06897	0.5
213.07608	1.6
221.08217	0.9
223.07578	1.3
237.09152	0.5
240.07806	1.0
245.28232	0.4
246.59961	0.4
255.10098	1.3
273.11176	0.5
283.09674	4.9
288.78525	0.4
315.12256	93.6
316.12589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1227
Annotation	Tepanone
Peak:m/z	Relative Intensity
53.03938	1.3
55.01864	1.1
55.05498	0.7
57.03425	0.6
60.09280	0.4
61.02948	0.5
62.22851	0.4
67.05500	1.9
69.03432	6.1
69.07072	0.6
69.45083	1.0
69.45495	2.4
71.04981	0.8
79.01852	5.3
79.05486	1.2
81.03419	8.1
81.07086	0.9
83.01344	1.4
83.04967	0.7
85.02911	5.1
91.05489	4.4
93.07044	1.2
95.04978	1.7
95.08587	0.7
97.02880	3.0
98.20905	1.4
98.21551	0.9
99.04454	0.5
103.05462	1.2
105.03407	0.6
105.07055	2.6
107.01334	2.4
107.04967	3.8
107.08601	0.7
109.02886	7.1
109.06523	1.0
109.10120	0.5
111.04404	0.9
115.05436	0.7
117.07019	1.0
119.04954	8.7
119.08567	0.6
121.02876	4.3
121.06541	1.4
121.10182	0.5
123.04437	1.6
124.05215	1.1
125.02367	4.2
127.03916	6.6
129.06964	0.7
131.04930	1.9
131.08511	0.5
133.06509	0.8
133.10112	0.5
135.04434	0.9
137.02254	0.6
137.05978	2.6
139.03951	0.5
143.03404	7.9
145.10184	0.5
146.03622	1.3
147.04419	22.3
149.05986	0.7
151.03922	0.6
152.04662	1.3
152.06218	1.8
153.01833	100.0
153.02867	4.8
154.02136	1.4
159.08015	1.0
159.11658	0.5
161.05994	7.5
161.09602	1.2
163.03897	1.3
163.05226	0.4
165.05646	0.8
165.06964	3.1
166.07713	1.1
167.03433	3.5
167.07140	0.8
167.08582	2.4
169.06453	1.0
171.02881	4.9
171.07990	0.6
176.06270	0.6
177.07062	1.8
179.03436	0.8
180.04195	0.5
180.05649	0.9
181.04964	4.3
181.06516	1.2
182.07272	0.6
183.08083	1.4
185.05989	0.8
189.05571	0.5
189.09138	0.7
191.06999	1.1
193.04984	2.4
193.06560	0.9
194.07324	1.7
195.06537	45.4
195.08090	5.4
196.08853	0.5
197.06030	1.5
198.06813	0.9
199.07535	0.5
201.09120	0.6
205.06586	1.1
208.05196	1.6
209.05989	0.5
209.09685	0.5
211.07501	1.4
212.08331	1.3
213.09244	0.9
221.06015	1.1
222.06799	1.3
223.07538	6.4
224.08357	1.1
225.05505	1.1
225.09161	0.6
227.07039	1.0
227.10747	0.6
236.04762	0.5
237.05626	0.5
237.09100	1.4
239.07153	1.1
240.07860	3.7
241.08586	2.2
250.06287	0.6
251.07047	2.2
253.08493	0.7
254.09361	0.6
255.10164	6.6
257.08084	1.3
259.09760	0.7
262.21097	0.6
265.08615	1.5
268.07309	1.8
269.08093	3.0
269.11523	0.7
283.09659	23.5
284.10318	1.8
285.07584	0.9
286.08398	0.6
287.09122	0.8
297.05936	2.3
297.11295	1.2
300.06366	0.9
300.09644	0.6
313.07071	0.5
315.08612	61.6
315.12289	51.9
315.23065	0.9
316.08945	1.7
316.12540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03939	0.5
55.01863	0.6
55.05515	0.3
57.03423	0.4
57.58261	0.2
63.26843	0.2
65.03912	0.4
65.92887	0.2
67.05486	0.6
69.03432	2.2
69.07070	0.6
71.05007	0.3
79.01850	1.8
79.05499	1.0
81.03419	3.4
81.07050	0.8
83.01340	1.4
83.04991	0.4
85.02914	1.8
91.05469	0.7
93.07034	0.3
95.04968	0.9
95.08607	0.3
97.02906	1.4
97.06546	0.4
98.21528	0.3
103.05474	0.3
105.03388	0.7
105.07011	1.2
107.01324	0.8
107.04946	1.5
107.08585	0.6
109.02875	2.8
109.06509	0.9
109.10155	0.3
110.46185	0.2
111.04408	0.5
115.05418	0.3
119.04925	0.9
119.08584	0.5
121.02867	6.4
121.06517	0.5
121.10129	0.3
123.04406	0.6
123.08064	0.3
125.02347	1.5
125.05981	0.3
127.03921	2.3
129.07011	0.3
131.04930	0.5
133.06473	0.5
133.10167	0.3
135.04433	0.5
137.02322	0.4
137.05966	1.9
143.03419	2.4
146.03610	0.6
147.04407	2.3
147.08067	0.2
151.03902	0.2
151.07503	0.3
152.04616	0.3
152.06198	0.9
153.01831	39.6
153.02847	1.7
153.09096	0.2
154.02156	0.5
157.06488	0.6
157.10138	0.2
159.08069	0.3
161.05997	3.1
161.09628	0.3
163.03856	0.2
165.05463	1.1
165.07022	1.1
166.07768	0.6
167.03421	0.3
167.08583	0.9
169.06485	0.3
171.02917	1.9
171.55133	0.2
173.09547	0.2
175.07565	0.4
176.06219	0.4
177.05511	0.2
177.07031	0.7
179.03456	0.3
179.08765	0.2
180.05653	0.4
181.04965	7.5
181.06383	0.4
182.07315	0.3
183.08073	0.4
185.06082	0.3
185.09615	0.6
189.09074	0.2
191.07051	0.4
193.04956	3.1
193.06517	0.4
194.07263	0.7
195.06523	3.3
195.08104	1.7
197.05952	0.8
198.06720	0.8
208.05214	0.5
209.05977	0.3
211.07527	0.5
212.08258	0.6
213.09157	0.8
213.12608	0.2
221.06020	0.4
222.06723	0.5
223.07567	2.7
224.08362	0.3
225.05476	0.7
225.09206	0.2
226.06195	0.3
227.07066	0.3
232.52112	0.2
237.09164	0.5
239.07045	0.7
240.07880	1.3
241.08586	1.9
251.07008	1.1
253.08672	0.4
255.10129	2.4
257.08044	0.5
259.09683	0.4
265.08633	0.6
268.07468	0.4
269.08072	1.6
272.06946	0.2
283.09659	8.4
284.10324	0.9
285.07611	0.3
286.08356	1.1
287.09171	0.5
297.06195	0.8
297.11179	0.4
299.05542	0.3
300.06317	0.5
300.09726	0.4
313.07199	1.2
315.08633	100.0
315.12094	7.3
316.09045	2.3
316.12479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03954	0.4
55.01863	0.5
57.03426	0.3
65.03934	0.6
67.05480	0.3
69.03433	1.4
70.90202	0.3
79.01847	1.6
79.05480	0.8
81.03421	2.3
81.07054	0.2
83.01347	1.3
83.04967	0.2
85.02900	1.5
91.05475	0.3
95.04958	0.4
97.02890	0.9
105.03388	0.5
105.07011	0.2
107.01317	0.7
107.04950	1.2
107.08597	0.2
109.02882	1.6
109.06498	0.8
111.04442	0.5
115.05449	0.2
119.04951	0.3
121.02871	6.0
123.04470	0.2
125.02340	1.3
127.03921	1.6
129.07071	0.2
131.04921	0.4
133.02844	0.3
135.04433	0.4
137.05942	1.3
142.07770	0.3
143.03400	2.3
145.06505	0.2
146.03578	0.3
147.04414	0.6
149.06100	0.2
151.03954	0.2
152.06226	0.4
153.01830	28.5
153.02856	1.3
157.06499	0.6
161.05975	0.7
163.03923	0.2
165.05495	0.8
165.06818	0.3
167.08591	0.4
170.07266	0.2
171.02930	1.7
171.04335	0.2
171.07916	0.2
175.03920	0.2
177.07065	0.3
179.03448	0.4
181.04956	7.2
181.06276	0.3
183.08037	0.2
185.09726	0.4
191.06941	0.2
193.04985	3.4
194.07253	0.2
195.08061	1.2
197.05991	0.4
198.06734	1.0
208.05247	0.3
211.07587	0.2
212.08313	0.2
213.09137	0.7
223.07451	0.8
225.09091	0.2
226.06248	0.3
227.06821	0.2
231.10339	0.2
240.07820	0.7
241.08546	1.9
245.07825	0.2
251.07021	0.3
253.08713	0.2
254.05783	0.2
255.10168	0.6
257.08023	0.4
259.09598	0.5
265.08554	0.2
269.08102	1.4
272.06732	0.2
283.09631	1.8
285.07578	0.2
286.08374	1.5
287.09149	0.6
297.06107	0.7
299.05444	0.7
300.06335	1.0
313.06992	1.4
315.08618	100.0
316.08942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
51.02372	0.3
53.03931	0.4
55.01857	0.3
57.03426	0.2
57.18673	0.2
62.87503	0.1
65.03920	0.4
65.05869	0.1
67.05508	0.3
69.03432	1.4
69.33227	1.1
69.33633	0.3
71.04984	0.2
78.01032	0.2
79.01841	1.3
79.05500	0.8
81.03421	2.3
81.07054	0.4
83.01337	1.8
83.04985	0.4
85.02908	1.7
88.42824	0.1
91.05486	0.6
95.04954	0.5
95.94168	0.2
97.02887	1.0
99.04471	0.3
103.05442	0.2
105.03392	0.9
105.07033	0.3
107.01311	0.7
107.04957	0.9
107.08596	0.3
109.02882	1.9
109.06491	0.6
110.43538	0.2
111.04440	0.6
119.04945	0.3
121.02875	6.2
121.03840	0.3
123.04467	0.2
125.02348	1.5
125.05990	0.3
127.03928	1.7
128.85733	0.2
129.06995	0.3
131.04921	0.3
133.02837	0.3
133.06471	0.3
133.10081	0.3
135.04420	0.4
137.05948	1.2
143.03409	2.2
145.06490	0.3
147.04399	0.7
151.03970	0.2
152.06186	0.4
153.01833	33.0
153.02800	1.3
154.02139	0.3
154.06302	0.3
157.06483	0.4
161.05984	1.0
165.05482	0.7
165.07014	0.4
166.07771	0.2
167.07256	0.2
167.08586	0.6
169.06497	0.3
170.07294	0.2
171.02902	1.3
171.04144	0.2
177.07043	0.5
179.03445	0.4
181.04965	8.0
183.07973	0.3
185.09663	0.5
191.06987	0.2
193.04973	3.2
193.06673	0.2
194.07251	0.4
195.08070	1.1
197.05988	0.4
198.06772	1.0
211.07631	0.3
213.09158	0.7
222.06897	0.2
223.07524	1.1
225.05357	0.2
226.06221	0.4
231.10191	0.2
240.07794	0.6
241.08578	1.8
251.07034	0.5
255.10135	0.8
257.08170	0.6
259.09668	0.4
265.08698	0.3
269.08112	1.5
271.09882	0.3
272.06851	0.3
283.09665	2.7
284.10361	0.3
285.07745	0.3
286.08438	1.5
287.09125	0.6
297.05664	0.8
297.11163	0.3
299.05515	0.5
300.06192	0.5
313.07065	1.2
314.07571	0.3
315.08624	100.0
316.08975	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02373	0.7
51.65593	0.3
53.03931	0.8
55.01871	0.5
57.03426	0.7
57.50888	0.2
58.14432	0.3
58.78649	0.3
66.85405	0.3
66.97874	0.3
69.03432	4.7
69.44958	1.8
69.45374	0.6
71.04982	0.4
74.53848	0.3
79.01858	5.3
81.03423	7.4
81.75640	0.3
85.02908	4.8
89.14803	0.3
97.02361	0.3
97.02904	2.1
98.21214	1.1
99.04480	0.8
107.01311	2.1
109.02888	5.6
125.02360	4.5
127.03932	5.6
133.24823	0.3
143.03407	7.4
153.01837	100.0
153.02827	4.3
154.02177	0.6
154.45656	0.3
157.73926	0.2
166.79521	0.3
171.02892	5.9
222.48799	0.3
297.06046	3.8
315.07077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02382	0.6
53.03935	0.6
54.53860	0.3
55.01871	0.4
57.03437	0.5
61.68608	0.3
69.03066	0.4
69.03427	4.7
70.86886	0.8
71.05001	0.4
79.01856	4.7
81.03416	5.8
85.02905	6.1
95.61721	0.2
97.02895	2.5
98.21031	0.4
99.04437	0.5
107.01326	2.6
109.02882	4.9
119.69131	0.3
121.66872	0.3
125.02342	5.3
127.03929	5.6
135.00786	0.5
143.03400	6.9
149.98288	0.3
153.01826	100.0
153.02818	4.3
154.02142	0.8
171.02878	5.2
205.50014	0.3
283.09500	0.4
297.06055	2.4
315.06955	1.5
315.12332	0.5
318.61819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03931	0.8
55.01860	0.5
57.03427	0.7
68.99786	0.2
69.03434	3.7
70.62115	0.2
71.04974	0.2
71.49624	0.4
75.91846	0.2
79.01406	0.2
79.01857	4.9
81.02982	0.4
81.03425	5.8
83.01348	0.2
83.91926	0.2
85.02425	0.4
85.02913	5.7
95.08613	0.3
96.02090	0.2
97.02880	2.1
98.21159	0.2
99.04449	0.6
100.53587	0.3
107.01322	2.4
109.02891	4.6
120.08103	0.2
123.00806	0.3
125.02358	4.3
127.03923	5.5
135.00606	0.3
139.27635	0.2
143.03404	7.6
145.72357	0.2
153.01836	100.0
153.02818	4.4
154.02162	0.6
156.39305	0.2
161.05975	0.4
171.02895	5.7
181.04988	0.3
182.07278	0.2
193.55746	0.3
195.08026	0.5
199.11000	0.2
222.98329	0.2
241.08647	0.2
255.10135	0.4
283.09726	1.5
297.05994	1.7
299.73550	0.2
315.08496	3.0
315.12341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03938	1.4
55.01859	0.9
55.05495	0.9
55.45173	0.4
56.92239	0.3
56.96554	1.5
57.03427	1.6
59.05005	0.3
61.02908	1.3
62.18027	0.3
69.03077	0.4
69.03431	8.1
69.63452	2.1
71.04992	1.1
73.02922	1.6
73.06544	1.1
79.01846	4.6
81.03415	11.3
83.04975	0.5
85.02907	7.8
87.04470	0.4
91.05473	0.4
97.02892	6.8
98.20918	0.9
98.97571	1.6
99.04478	1.9
101.00880	0.9
107.01315	2.6
108.08106	0.5
109.02879	7.4
109.08440	0.6
115.02409	0.4
116.98638	0.8
119.01920	1.7
125.02345	4.9
127.03920	7.1
128.04337	0.4
128.98604	0.6
131.01877	0.9
133.03473	1.0
135.04433	0.3
136.06171	0.9
137.06537	0.7
138.05458	0.5
143.01894	1.1
143.03395	7.4
144.99823	1.4
145.03427	0.7
145.05002	0.7
146.55133	0.4
149.02919	0.5
152.07097	1.0
153.01826	100.0
153.02837	4.4
154.02199	0.8
154.94221	0.3
155.01903	0.7
155.95772	0.3
156.97473	0.5
157.03528	0.6
161.02971	1.5
164.07068	1.7
168.06546	0.8
169.03517	0.5
171.01395	3.3
171.02908	4.6
173.01387	0.3
173.02902	1.0
175.04337	0.4
177.02441	0.4
183.04991	0.5
185.02983	0.6
187.04550	0.3
189.00832	0.4
189.02454	1.1
191.00386	0.5
195.01422	1.3
198.98666	0.6
199.00636	0.3
201.06081	0.4
203.03947	0.9
203.07420	0.5
207.01474	0.5
213.00323	0.6
213.02470	2.9
213.05997	0.4
219.07176	0.6
221.05083	0.6
225.02437	1.1
245.05185	1.0
248.47250	0.3
251.02446	0.7
287.09470	0.4
297.06052	6.1
305.10904	0.4
315.10269	0.4
315.12570	1.1
332.99023	0.4
333.03088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02372	0.3
53.03941	0.3
55.01871	0.4
57.03429	0.4
65.03931	0.4
67.05499	0.4
67.86132	0.2
69.03429	1.5
69.07101	0.2
70.72596	0.3
79.01851	1.5
79.05495	0.8
81.03425	2.1
81.07060	0.4
83.01346	1.8
83.04981	0.2
85.02909	1.6
90.16238	0.2
90.28210	0.2
91.05485	0.6
95.04984	0.4
95.08631	0.2
97.02906	1.2
97.06526	0.2
99.04447	0.2
103.05473	0.2
105.03410	0.7
105.07007	0.3
107.01337	0.6
107.04945	0.9
107.08601	0.2
109.02886	1.9
109.06509	0.6
111.04461	0.4
119.04948	0.4
119.08620	0.2
121.02875	6.2
121.03809	0.3
121.06532	0.2
125.02346	1.4
125.05980	0.2
127.03912	1.7
128.06152	0.2
131.04964	0.4
133.02872	0.2
135.04448	0.3
137.05965	1.4
142.07770	0.3
143.03400	2.2
143.08597	0.2
147.04411	0.7
151.03854	0.3
152.06209	0.3
153.01833	29.0
153.02838	1.2
154.02263	0.3
154.06276	0.2
155.08498	0.2
155.22728	0.1
157.06464	0.5
161.05975	0.9
161.09610	0.3
165.05507	0.8
165.07030	0.5
166.79071	0.2
167.08595	0.4
169.06490	0.3
170.07280	0.3
171.02899	1.6
175.03967	0.3
175.07518	0.3
177.06973	0.2
179.03430	0.3
181.04962	8.5
185.05986	0.3
185.09657	0.7
193.04973	3.4
194.07228	0.3
195.08034	1.3
198.06812	1.0
208.05240	0.3
211.07751	0.2
213.09077	0.8
223.07484	0.7
225.05450	0.2
226.06218	0.4
227.07069	0.2
231.10150	0.3
234.48419	0.2
239.07016	0.3
240.07764	0.4
241.08562	2.2
243.06360	0.2
251.06935	0.3
255.10194	0.6
257.08084	0.5
259.09677	0.6
268.07242	0.2
269.08112	1.1
272.06717	0.3
283.09717	2.1
284.10110	0.2
286.08350	1.6
287.09183	0.9
294.18347	0.2
297.06064	0.7
299.05557	0.5
299.77853	0.2
300.06238	0.4
313.07074	1.4
314.07712	0.3
315.08612	100.0
316.08920	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	314.1234
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03936	1.3
55.01873	1.0
55.05524	1.0
56.69233	0.5
56.96574	7.3
57.03447	3.1
57.03683	0.5
58.06591	1.6
59.05001	0.8
61.02925	3.3
62.00766	0.4
65.03930	1.5
67.05507	4.0
69.03430	9.0
69.63150	0.8
69.63554	2.1
70.06583	1.2
71.01343	0.5
71.04990	1.7
73.02920	3.1
73.06562	1.0
79.01833	0.7
79.05502	1.6
80.05011	0.6
81.03422	4.9
81.07050	0.9
82.06603	0.6
83.01350	0.5
83.04986	1.5
84.04496	0.7
84.96037	1.6
85.02907	11.9
86.03257	0.5
87.04453	2.4
88.07649	0.7
89.06038	1.2
91.05476	0.7
93.05779	1.3
94.06582	0.6
95.04980	0.6
96.08138	0.8
97.02896	18.5
98.21081	1.6
98.97583	5.6
99.04477	2.7
101.00898	0.7
101.02396	0.8
106.06559	2.5
108.08119	100.0
109.02876	4.4
109.08424	0.5
110.06074	0.9
110.97539	0.7
111.04428	0.7
112.99129	0.5
115.02429	1.0
115.03889	0.6
116.15161	0.5
116.98627	4.0
119.01920	2.3
122.06048	0.6
122.07150	1.7
123.06810	8.5
124.07591	15.8
125.02335	1.4
127.03937	5.1
128.98634	0.9
131.00195	1.0
131.01921	1.2
133.03458	1.4
134.05003	0.6
134.06021	12.0
134.09698	1.0
134.99670	2.2
135.06442	0.5
136.05139	1.0
136.06190	23.1
136.07578	24.0
137.08347	1.4
138.05501	4.0
139.03888	1.5
143.01796	1.4
143.03404	2.0
145.03474	1.1
145.04987	2.0
146.99684	0.9
148.01596	0.5
149.01274	0.7
150.05469	0.6
152.07066	58.3
153.01823	18.7
153.02904	1.0
153.06564	0.6
154.02238	0.5
154.08636	3.0
157.03404	0.6
158.99612	0.6
161.01242	0.5
161.02870	1.5
163.02652	0.5
164.05688	1.2
164.07077	1.1
170.05193	0.6
171.01416	0.8
171.02850	0.9
171.04988	0.6
173.02930	1.3
175.02930	0.6
175.04451	0.6
177.00682	0.9
177.04303	1.0
177.05934	0.5
178.07384	1.0
178.54578	0.5
185.02939	0.6
187.02855	0.5
188.03748	0.5
190.95313	0.8
190.98624	0.5
191.92015	0.5
192.04124	0.5
192.96611	0.5
193.00198	0.9
195.11653	0.5
201.00497	0.6
203.04010	0.9
209.02905	0.8
210.07013	0.5
218.55153	0.5
219.01892	1.4
220.07899	0.6
221.05057	1.3
230.98068	0.8
231.07196	0.5
234.05624	0.5
237.02759	0.9
242.07274	0.5
245.05058	0.9
248.99168	9.3
250.94870	0.6
251.02499	1.0
251.09665	0.7
259.06616	0.6
267.00259	5.4
272.00562	0.8
272.96039	0.9
284.81580	0.5
290.96957	1.5
291.00095	1.2
291.03687	0.6
296.08362	0.7
296.11423	1.3
297.06189	0.7
299.08826	0.7
305.10919	0.6
308.87668	1.4
309.01288	0.9
314.12335	81.1
315.07483	1.8
315.12494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.4
57.03442	19.7
57.07080	57.5
65.03955	0.6
66.87688	0.6
67.05511	11.6
69.06717	0.9
69.07070	11.8
70.76363	1.7
71.08636	39.8
73.50720	0.6
79.05486	1.5
81.07062	17.6
83.08626	10.8
85.02930	0.7
85.06535	0.9
85.10189	21.6
89.06038	3.5
93.07021	1.0
94.98100	0.6
95.08612	24.3
97.06554	0.8
97.10176	7.3
98.21212	0.8
99.11739	1.4
103.07572	2.6
109.10162	11.4
111.11726	1.7
112.00938	0.6
123.11717	4.5
131.10706	0.8
137.05956	0.9
137.13255	2.0
137.51408	0.6
137.52451	0.7
139.14833	0.7
142.38249	0.6
142.57082	0.6
145.10107	0.7
146.27365	0.5
151.14764	0.7
239.23662	4.2
257.24835	6.5
279.53891	0.6
292.06207	0.6
298.08466	1.6
313.11002	3.6
313.27377	100.0
314.13882	0.7
314.27591	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.61554	0.3
51.02371	0.7
53.03940	0.8
54.49812	0.2
57.03429	0.5
61.02921	0.5
63.43056	0.3
67.35372	0.3
69.03430	4.8
71.01731	0.6
71.08846	0.2
75.31346	0.3
79.01865	4.2
81.03423	8.4
85.02909	4.9
87.52776	0.3
97.02900	2.9
99.04462	0.8
107.01320	2.8
109.02882	5.5
114.27354	0.3
125.02357	4.6
127.03925	5.8
127.42756	0.3
143.03397	8.3
153.01834	100.0
153.02829	4.4
154.02168	0.6
171.02879	5.0
191.03314	0.4
192.49440	0.3
206.81860	0.3
255.05054	0.4
297.06039	4.6
315.07214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01876	0.3
55.05504	0.3
56.96557	1.3
57.03435	0.7
58.06606	0.3
61.01148	0.6
61.02919	0.5
65.03941	0.3
67.05502	0.8
69.03430	3.7
69.88712	0.5
69.89133	0.9
70.06582	0.6
71.01363	0.3
71.04990	0.4
71.75221	0.2
73.02905	1.2
75.02721	0.3
75.64914	0.2
79.05471	0.3
81.03407	1.6
81.07050	0.4
83.04962	0.3
84.96017	0.3
85.02900	2.9
87.04452	0.4
91.02200	0.3
94.04066	0.3
96.08138	0.3
97.02892	44.8
98.20966	0.6
98.97588	1.5
99.04452	0.3
106.06531	0.8
108.08118	17.2
109.02892	1.1
110.06007	0.3
116.98638	1.1
119.01791	0.8
119.03551	1.0
123.06805	1.0
124.07578	2.3
125.02321	0.3
127.03889	1.2
128.98573	0.3
131.01891	0.3
134.05994	2.2
134.09705	0.4
134.99651	0.4
135.05388	0.6
136.06186	100.0
136.07455	3.6
137.04572	0.9
137.06560	0.3
138.05492	0.8
143.00562	0.3
143.01651	2.4
143.03426	0.4
145.01703	0.2
145.03465	0.3
145.04982	0.3
148.06165	0.7
152.07059	11.4
152.10712	0.5
153.01820	6.8
153.02791	0.3
154.08682	0.5
158.99622	0.6
161.02689	1.5
162.07716	0.6
164.05687	5.9
164.07030	0.2
178.07231	2.6
179.03729	1.9
198.59489	0.3
203.04012	0.4
219.01959	0.3
232.08264	0.4
237.02861	0.3
245.05280	0.5
248.07883	0.7
248.99178	1.1
250.09329	0.9
263.06070	0.3
267.00250	0.8
278.06946	0.6
296.08206	3.6
296.11264	0.4
314.09064	8.4
314.12338	14.2
315.07483	0.3
335.06073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.8
57.03441	22.0
57.07078	63.9
61.47403	0.6
63.52872	0.7
67.05163	1.0
67.05507	13.7
69.06711	0.9
69.07071	13.5
69.89134	3.3
71.08633	39.8
73.06552	0.8
75.04475	0.8
79.05486	2.7
81.07057	18.4
83.08620	13.5
85.06519	0.9
85.10184	20.1
89.06046	4.3
91.05478	1.2
93.07030	2.0
95.08609	27.6
97.06550	0.7
97.10175	6.5
98.20840	1.5
99.11732	1.5
103.07559	2.8
107.08619	1.7
109.10167	11.2
110.47842	0.6
111.11716	1.5
113.77541	0.7
117.09149	0.9
119.08624	0.8
123.11697	4.1
128.31180	0.7
131.08649	0.7
133.10088	0.6
135.11711	0.9
137.13258	1.8
151.14862	0.8
157.10040	0.8
177.09108	0.9
205.01996	0.6
221.22661	0.9
239.23706	4.3
257.24783	7.6
297.07645	1.5
298.08359	1.8
313.10776	4.8
313.21524	3.4
313.27368	100.0
314.27704	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.7
57.03441	21.2
57.07079	62.4
61.14183	0.7
65.24987	0.6
67.05163	1.0
67.05509	13.1
69.07072	11.0
70.17510	2.6
71.08636	41.9
75.04473	1.0
79.05496	1.3
81.07063	17.3
83.08627	14.5
85.06529	0.7
85.10188	22.3
88.79884	0.7
89.06036	3.5
90.47794	0.6
93.07047	0.9
95.08611	23.0
95.09222	1.2
96.65922	0.6
97.10190	6.3
98.20899	1.4
99.11739	2.0
103.07586	1.7
109.10164	10.3
111.11710	1.7
123.11670	4.8
124.42172	0.8
125.13261	1.1
137.13274	2.9
151.14821	1.0
153.65820	0.7
180.98029	0.6
206.97363	0.6
221.22713	0.7
239.23709	4.8
257.24777	7.0
297.07623	0.7
298.08350	2.7
298.27438	1.2
313.10800	4.6
313.27380	100.0
314.27698	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64762	0.6
55.05264	0.6
55.05512	8.7
57.03441	21.1
57.07079	59.2
67.05178	0.7
67.05509	11.2
69.05058	0.7
69.07067	12.9
69.94495	2.1
70.79987	0.7
71.08633	39.3
71.61978	0.7
73.06558	0.8
75.04492	0.9
79.05477	1.6
81.07065	14.9
83.08617	13.0
83.86594	0.6
85.06542	1.1
85.10188	19.9
89.06023	2.7
93.07058	0.6
95.08611	23.6
97.10165	5.9
98.20798	0.9
98.21353	1.4
103.07581	3.2
107.08621	0.8
109.10160	11.9
111.11708	1.9
117.09142	1.1
120.05299	0.6
123.11732	4.6
137.13240	1.8
178.60965	0.6
192.58725	0.7
221.22559	0.9
223.37306	0.7
239.23645	4.8
257.24741	6.5
258.39798	0.6
275.25925	0.8
289.36237	0.8
297.07538	0.8
298.08157	0.8
313.10693	1.8
313.27374	100.0
314.27762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1798
Annotation	Cycloisobrachycoumarin
Peak:m/z	Relative Intensity
53.03935	1.1
54.65658	1.1
55.01880	1.3
55.05507	6.2
57.02511	1.0
57.03420	2.5
57.07078	8.2
65.03941	1.2
67.05507	24.2
68.99806	7.5
69.07060	7.1
71.08640	7.0
71.31545	2.3
79.05495	11.3
81.07063	18.9
83.04991	1.6
83.08608	2.7
85.06519	1.1
85.10181	2.2
86.09699	2.2
88.03840	1.0
91.05481	15.5
93.07039	11.5
94.11290	1.0
95.04959	1.9
95.08601	12.3
97.10159	1.3
99.08116	1.3
105.07037	16.3
107.04948	3.4
107.08583	7.9
109.06526	1.6
109.10167	10.2
111.00816	14.1
111.04433	4.7
116.28279	1.0
117.07027	9.4
119.04923	2.6
119.08576	11.1
121.02862	3.1
121.06512	1.7
121.10131	6.1
122.04732	1.0
123.04398	5.1
123.11707	3.0
124.05137	1.3
127.03908	2.4
128.06209	1.1
129.07004	3.3
131.08565	19.0
133.10123	7.6
135.11696	2.6
137.05972	3.9
137.29132	1.1
139.03905	87.0
140.36874	1.1
141.07019	1.1
143.08575	1.3
145.06509	2.0
145.10114	18.8
147.11696	3.4
149.05981	3.5
149.13239	4.5
150.03032	0.9
151.03946	1.8
153.05466	3.3
155.08578	1.5
157.10098	2.5
159.08044	2.1
159.11726	7.7
161.05862	1.4
161.13283	11.6
163.03923	15.3
163.07573	3.3
163.14812	2.1
165.05519	7.1
167.03444	5.2
167.07042	4.5
169.10107	1.8
171.11659	1.4
173.09662	1.6
173.13202	2.1
175.07608	1.6
175.14868	5.2
177.05518	5.3
179.03287	1.1
179.06915	1.5
183.08006	1.2
183.11653	1.5
185.13275	1.2
186.14833	1.5
187.11206	1.4
187.13176	1.4
187.14832	28.5
189.05487	3.6
191.07037	21.2
193.08533	2.5
196.64749	1.2
199.14758	1.3
201.16388	2.7
203.07028	9.8
205.08624	6.6
211.11209	1.1
215.07100	4.3
215.14334	1.1
216.07776	1.4
217.08611	5.1
219.10204	2.1
225.16309	1.1
229.08591	11.4
229.15887	5.0
230.09435	1.9
231.10146	2.9
239.10446	1.4
243.10277	5.8
245.11697	3.0
255.06476	1.9
257.11810	5.2
267.17743	1.1
267.20996	2.2
269.08127	3.6
270.08804	3.5
271.13416	2.1
273.93106	1.3
281.08334	2.2
283.06030	3.7
285.14890	1.7
295.16977	4.4
297.07556	22.1
298.08350	40.9
313.10699	100.0
313.14044	4.1
313.14774	3.9
313.17978	92.7
313.21381	5.7
313.27670	12.1
313.32895	14.3
314.11032	2.7
314.18390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.107
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05511	0.2
55.45701	0.2
58.96299	0.1
67.05503	0.3
69.03441	0.1
69.07068	0.8
70.64281	0.2
76.41541	0.1
81.03414	0.3
81.07065	0.6
85.02896	0.2
87.74068	0.1
91.05509	0.2
93.07063	0.2
95.04987	0.3
95.08617	0.1
96.05767	0.2
98.21317	0.2
105.06983	0.1
105.45081	0.1
107.08632	0.2
109.10162	0.1
119.04946	0.3
120.05733	0.7
121.02856	2.4
123.11713	0.7
124.05201	0.9
136.05238	0.1
139.03931	0.6
145.02806	0.2
149.05997	0.2
151.03886	0.8
151.11186	0.4
152.04683	1.2
163.03918	0.3
165.07039	0.2
167.03404	3.8
170.15451	0.3
177.05504	0.4
179.03418	1.2
180.04179	1.3
181.04991	0.2
181.06473	0.1
187.03793	0.2
195.06473	0.2
196.67349	0.1
197.04527	0.2
198.05280	0.3
198.14957	0.4
223.07635	0.2
225.09056	0.9
226.06296	0.1
226.14461	0.2
227.07034	0.6
237.05478	0.1
241.08569	0.2
252.07870	0.3
253.08572	0.5
255.06573	1.4
269.08087	3.1
270.08871	3.7
279.06604	0.3
280.07361	0.4
281.08057	1.8
283.05997	2.7
297.07581	20.3
298.08353	40.6
299.08737	1.0
313.10684	100.0
314.11053	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	313.1432
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03949	2.1
54.22807	0.6
55.05516	0.9
58.59717	0.5
59.52968	0.5
65.03946	2.4
67.05496	3.3
69.03436	0.8
69.07080	1.3
79.05495	100.0
81.03440	1.0
81.07064	1.8
91.05486	20.5
93.07050	0.8
95.04967	3.6
95.08601	2.3
95.84239	0.6
105.04500	0.6
105.07030	12.0
105.07681	1.0
106.08178	0.5
107.04970	0.7
107.08596	39.5
109.06499	3.3
109.10192	0.8
110.12481	0.6
117.07031	0.7
119.06062	1.5
119.08583	1.4
119.65284	0.6
121.06512	0.8
123.11771	0.7
126.15269	0.6
131.08543	1.2
133.10167	0.7
137.05989	0.7
143.08623	0.6
145.10115	0.8
147.11617	1.1
163.03888	2.8
165.05588	0.8
167.03413	7.8
173.09697	0.6
184.03543	0.6
192.04199	2.2
193.05013	0.9
193.08618	1.9
204.04329	0.7
206.05750	19.4
207.06506	5.2
219.06540	2.5
227.06992	0.9
259.55600	0.6
263.13644	0.7
297.07510	2.1
298.08292	4.8
313.10666	13.2
313.14261	70.9
314.14639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1434
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03947	1.7
55.01891	0.6
55.05519	1.3
57.03463	0.4
57.07071	0.9
62.39331	0.4
65.03951	2.8
67.05511	3.2
69.07066	0.6
70.39104	1.7
71.44775	0.4
72.93785	0.8
73.94114	0.4
74.12226	0.5
77.58367	0.4
79.05498	100.0
80.05847	0.6
80.28020	0.4
80.53786	0.4
81.03438	0.6
81.07055	2.0
82.68616	0.4
85.47098	0.4
91.05487	20.4
92.06264	0.5
93.07053	1.9
94.50945	0.5
95.04950	2.7
95.08604	1.5
98.21140	1.1
105.04528	0.9
105.06373	1.0
105.07037	11.5
107.08601	43.3
109.06527	5.0
109.10154	1.0
113.96408	1.5
119.06079	1.7
119.08584	1.4
121.10165	1.2
123.11752	0.6
129.06979	0.6
131.08577	1.8
131.97495	1.1
133.10144	1.1
143.08562	0.6
145.10150	1.1
147.11717	0.9
153.05548	0.6
157.10133	0.6
159.11673	0.8
161.13272	1.2
163.03935	1.3
167.03389	6.6
171.11739	0.9
173.09583	0.6
173.13335	0.9
176.66742	0.4
184.05391	0.4
185.09612	0.4
187.14810	0.9
189.16464	0.6
192.04260	1.5
193.05031	1.4
193.08635	0.8
197.13300	0.9
206.05766	15.3
207.06558	3.7
211.12273	0.7
211.14867	0.6
212.04735	0.6
219.06514	1.7
227.07011	0.9
229.05003	0.8
230.05753	0.5
239.12070	0.7
245.08107	4.4
267.21118	2.1
313.14343	60.6
313.21713	3.5
313.25034	1.4
314.14688	1.1
339.25189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
51.02387	0.6
51.38276	0.5
53.03946	2.8
55.05534	1.0
62.09894	0.6
65.03944	3.3
65.83383	0.6
66.19395	0.5
67.05517	3.5
70.16839	1.0
70.17206	1.8
79.05496	100.0
80.05799	0.9
81.03408	0.9
81.07054	1.7
81.38234	0.6
83.08595	0.6
91.05485	21.4
93.07058	1.0
95.04974	3.0
95.08630	1.0
98.20840	0.9
98.21404	1.0
105.04537	0.9
105.06377	0.9
105.07039	12.6
107.08599	34.1
109.06523	4.4
119.06078	1.6
119.08587	0.6
131.08591	0.9
137.06015	0.8
157.06447	0.5
163.03915	2.6
167.03438	7.5
175.07553	0.5
192.04187	2.4
193.05016	0.7
193.08563	1.2
206.05760	19.6
207.06508	4.1
219.06525	2.1
258.08951	0.7
269.08139	0.6
270.08762	0.6
297.07431	1.2
298.08273	2.7
312.16595	0.6
313.10825	5.8
313.14304	74.6
313.21674	1.7
314.14734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1064
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
54.63853	0.1
55.05506	0.2
58.11193	0.1
58.45171	0.1
58.69953	0.1
67.05485	0.4
69.07053	0.2
71.15551	0.2
79.05487	0.3
81.03429	0.2
81.07039	0.4
81.14269	0.1
83.01318	0.1
91.05460	0.3
93.07042	0.3
95.04961	0.4
95.08596	0.2
96.05745	0.2
96.63242	0.1
97.02839	0.1
98.21316	0.1
105.07034	0.3
107.04958	0.3
107.08557	0.3
111.04411	0.1
116.65101	0.1
119.04926	0.4
119.08598	0.2
120.05744	0.7
121.02869	2.9
121.10182	0.2
123.04472	0.1
123.11651	0.1
124.05209	0.9
131.04918	0.3
131.08553	0.2
134.03563	0.1
135.04395	0.1
137.02301	0.2
137.05960	0.2
139.03912	0.9
143.08612	0.1
147.11745	0.1
151.03937	0.3
151.07558	0.2
152.04671	1.2
157.10101	0.1
163.03937	0.4
165.01811	0.3
167.03407	4.5
177.05443	0.3
179.03389	1.1
180.04175	1.4
181.04970	0.2
181.06384	0.2
189.09013	0.1
194.96436	0.1
195.06477	0.4
195.08067	0.1
197.04489	0.4
198.05193	0.4
209.05920	0.1
223.07582	0.2
225.09111	0.9
227.07060	0.7
241.08597	0.2
252.07828	0.3
253.08601	0.5
255.06511	1.7
267.10428	0.1
269.08090	3.3
270.08881	3.5
270.11697	0.2
280.07269	0.3
281.08072	1.9
283.05991	2.7
295.09668	0.2
297.07571	21.6
298.08353	40.3
299.08740	0.9
312.06360	0.1
313.10681	100.0
314.11011	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1434
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
51.02383	0.4
53.03940	0.3
55.01858	0.5
57.82320	0.2
57.91699	0.3
65.03939	1.0
66.04707	0.5
67.05501	0.6
69.61442	0.3
71.48920	0.3
77.03934	0.3
79.05509	2.1
81.03408	0.4
81.07054	2.0
83.04950	0.3
83.08611	0.3
85.06559	0.3
91.05482	20.1
93.07048	0.5
94.04189	4.1
95.04973	3.9
95.08615	0.6
98.21124	1.9
103.05452	3.0
105.07060	1.5
107.04958	4.2
107.08598	0.4
108.05714	0.3
109.06516	3.3
109.10107	0.3
115.05472	2.2
116.06226	0.4
117.03336	0.3
117.07012	1.1
119.04099	0.6
119.04948	12.4
119.08617	0.7
121.06516	1.5
122.03648	7.3
123.08070	0.6
124.89248	0.3
125.05965	0.3
128.06223	5.8
129.07005	19.5
131.04932	4.0
131.08566	1.6
132.05750	0.4
133.06497	0.9
135.04424	0.4
135.08061	0.8
136.05208	2.3
137.05975	100.0
138.06276	0.9
139.07451	0.3
141.07027	0.3
143.04955	1.6
145.06493	2.2
146.03648	0.6
146.07237	0.8
147.08066	1.1
149.05977	1.4
151.03983	2.3
151.07544	45.5
151.76196	0.3
152.06204	0.8
152.07846	0.5
153.06915	0.3
153.66443	0.3
155.05943	0.5
156.05710	0.7
157.06494	18.7
158.07260	1.2
159.04402	0.5
159.08072	0.4
160.05200	1.6
161.06024	2.5
161.09602	2.0
163.07545	5.8
165.06976	2.9
167.07037	0.6
167.08519	0.6
169.06471	1.1
173.05858	0.3
174.06775	8.7
175.07555	7.0
176.08316	0.6
177.09140	1.1
178.07767	4.8
179.08604	0.7
181.06451	1.1
182.07225	0.5
189.09106	42.5
190.09474	0.6
191.08524	0.7
191.10736	0.4
192.09340	1.3
193.06476	1.1
193.10136	6.0
194.07307	0.4
195.07993	1.1
196.05241	0.4
197.06006	1.2
200.24944	0.3
202.07787	1.0
202.66591	0.4
203.08635	1.9
205.06496	0.9
206.07199	1.4
207.08061	0.7
209.06013	1.0
209.09698	0.4
210.06784	2.2
211.07567	1.5
212.08354	0.4
219.08037	0.9
220.08809	0.9
221.06294	1.4
221.09599	9.6
222.10226	0.6
223.07623	1.4
224.08318	1.1
225.05443	0.6
225.09096	1.3
227.07031	0.9
231.08078	1.1
234.06805	0.8
235.07530	0.4
235.11237	0.4
237.05423	0.5
237.09132	0.8
238.06178	0.9
238.09927	1.3
239.06984	0.7
239.10629	0.8
240.07797	0.6
241.08548	1.3
248.08290	0.4
249.09108	5.3
249.14839	0.3
250.09639	0.4
251.07068	0.4
252.07712	0.5
253.08580	1.3
253.12241	13.6
254.09073	0.4
255.06552	0.6
255.10054	0.4
257.07950	0.5
263.10651	0.8
265.08466	0.4
266.09445	1.4
267.10184	0.9
269.08105	3.4
270.08749	0.4
272.10434	2.4
281.11700	8.1
282.12463	0.6
283.09506	0.5
284.10419	2.5
285.11130	1.1
285.14185	0.4
298.11942	1.0
313.10767	3.5
313.14294	41.7
313.21646	0.9
314.14471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01881	2.6
55.05512	32.5
57.03429	2.5
57.07075	18.1
58.07420	1.3
59.04997	2.4
60.43796	1.3
61.02935	1.5
63.91125	1.3
67.05505	27.2
67.70338	1.3
69.03426	9.2
69.07068	100.0
70.76335	4.3
71.04996	3.9
71.08629	7.0
73.06547	2.5
79.05492	20.2
81.03423	6.7
81.07058	88.0
83.05008	2.4
83.08623	31.9
85.02896	4.9
85.06545	17.7
85.10170	1.6
87.08107	1.8
91.05489	9.9
93.07042	51.2
93.28030	1.3
95.04979	3.5
95.08608	74.4
97.02881	3.4
97.06544	7.7
97.10181	14.8
99.08077	14.4
103.05420	1.9
105.07057	7.0
107.08601	25.6
109.02908	3.4
109.06491	2.6
109.10157	42.9
110.03214	1.7
111.08084	9.5
111.11720	19.7
115.07636	1.8
118.73316	1.4
119.08577	4.6
121.06497	3.0
121.10146	33.9
123.08061	1.9
123.11718	21.2
125.09669	1.9
125.13264	5.9
127.11178	2.2
131.08542	6.8
133.10181	1.6
135.11720	14.3
137.05992	3.3
137.13249	9.3
141.23599	1.4
145.10158	1.9
147.04395	1.6
149.09641	12.5
149.13271	11.9
151.14832	9.7
153.12729	15.4
159.11684	2.0
163.14835	4.4
165.16365	2.5
167.10767	2.1
167.14275	3.5
219.08054	2.0
242.93924	1.5
251.10760	2.1
275.27411	4.4
279.10074	1.9
293.13885	2.5
293.28409	7.0
294.20602	2.1
311.09369	2.6
311.12885	5.3
311.20001	2.5
311.29468	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74278	0.4
57.07076	1.8
58.05575	0.4
58.06599	1.2
65.03942	0.4
67.05518	2.5
69.03429	1.1
70.02968	0.9
70.06599	4.1
70.33997	1.7
71.05009	0.6
72.08167	0.6
73.02932	0.6
73.11915	0.5
74.02444	100.0
78.28059	0.5
78.89797	0.4
81.03410	0.5
81.07087	0.8
84.08142	16.3
85.02945	0.7
85.08948	0.8
86.09705	3.3
87.40743	0.4
88.04001	2.2
91.05490	0.5
95.04983	2.0
102.09224	0.7
105.07066	0.6
107.04977	0.7
107.08594	0.5
109.02896	0.8
110.06061	1.0
113.06045	2.5
119.04990	0.9
124.07569	1.5
125.07898	0.8
128.10745	1.6
130.08644	29.6
133.04996	0.5
137.03316	0.5
137.06053	0.7
139.03940	1.5
140.07060	0.8
147.04466	0.5
150.05563	2.2
151.03935	0.6
158.10782	0.5
161.06042	2.0
189.09175	0.8
203.10776	1.0
212.90808	0.5
231.10118	0.7
249.11243	1.9
266.13925	9.1
266.16595	0.7
312.09177	0.8
312.11041	0.8
312.14069	5.5
313.10748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0321
Annotation	N-desmethyl-gliotoxin
Peak:m/z	Relative Intensity
53.29169	3.7
55.57683	3.8
63.85399	3.8
70.46194	13.1
85.02896	5.6
92.16542	4.5
97.02904	5.5
97.06419	4.0
98.21341	7.3
153.01817	16.9
274.05988	4.8
313.03183	100.0
313.14001	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
66.02778	0.4
98.21288	1.8
117.07997	0.3
120.05661	0.8
121.02872	3.2
124.05191	1.1
139.03862	0.7
152.04700	1.6
160.76106	0.5
160.97186	0.3
167.03427	4.3
177.05530	0.3
179.03383	1.2
180.04175	1.0
198.05167	0.4
225.09088	1.0
227.07169	0.5
228.18243	0.3
241.08693	0.4
252.07777	0.5
255.06488	1.4
269.08102	3.8
270.08926	3.1
281.08102	1.7
283.06046	2.6
297.07587	22.8
298.08359	40.3
313.10690	100.0
314.11011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.62390	0.2
61.02907	0.3
64.95935	0.3
65.55956	0.3
67.04248	0.7
67.05505	1.3
71.27192	0.5
80.04941	0.3
82.06586	3.4
84.08158	0.6
90.34689	0.3
93.86115	0.3
95.04971	0.6
98.21009	0.4
107.04944	0.3
108.08078	0.3
109.06537	0.5
110.06046	100.0
111.06398	0.5
112.07595	3.3
115.58308	0.3
121.20806	0.3
122.06038	0.4
124.07577	1.1
124.15112	0.3
135.04393	0.6
136.07642	0.5
140.07071	28.5
140.79118	0.3
142.08652	2.7
154.08647	2.2
156.06586	1.4
156.10284	0.4
172.09685	2.6
180.04419	0.3
194.82976	0.3
248.12802	0.8
251.13916	0.7
257.12753	0.4
258.11365	0.4
275.13898	3.5
276.12399	0.9
293.11630	0.5
293.14957	10.2
294.15216	0.3
311.16016	18.4
312.16354	0.3
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
53.03947	1.4
55.01859	1.6
55.05515	52.5
57.03440	18.9
57.07079	23.9
62.55025	0.6
67.05508	9.1
69.07072	54.5
69.89985	3.0
71.04989	0.8
71.08274	1.1
71.08637	13.9
73.02914	1.0
79.05483	5.6
81.07064	11.3
83.04987	1.1
83.08624	47.9
85.10190	6.2
91.05505	0.8
93.07059	6.1
95.08616	8.8
97.06538	5.7
97.10176	36.0
98.20940	1.2
103.35188	0.7
107.08596	4.8
109.10164	3.1
111.08106	1.7
111.11728	11.4
121.10145	6.8
123.11720	1.8
125.09649	2.1
125.13277	2.8
129.05470	0.8
135.04446	1.1
135.10809	0.6
135.11702	4.5
137.13287	0.9
149.13263	2.9
163.14825	1.0
209.11641	1.1
219.21095	1.6
237.11116	1.6
237.22101	1.1
311.25812	100.0
312.26260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2944
Annotation	2E-Phytenic acid
Peak:m/z	Relative Intensity
53.03929	3.2
55.01860	3.8
55.05260	2.4
55.05511	36.7
57.06823	2.4
57.07073	28.4
59.04979	2.5
65.03955	2.4
67.05508	32.9
69.03426	4.8
69.07069	88.4
69.46777	15.4
71.04990	2.8
71.08616	7.0
73.06555	4.2
79.05495	16.2
79.59921	1.8
81.03412	5.7
81.07056	100.0
83.08619	39.3
85.02874	1.9
85.06550	25.6
85.10172	3.1
89.42048	1.8
91.05484	9.6
93.07041	44.0
95.04977	4.4
95.08607	94.6
97.02880	1.9
97.06534	4.7
97.10162	21.2
98.20977	5.9
99.08091	18.6
102.25076	1.7
102.28043	1.9
105.07021	7.2
107.08599	27.4
108.66738	1.9
109.02892	2.4
109.09459	3.2
109.10158	50.1
111.08064	7.5
111.11728	18.2
118.29012	1.9
119.04910	2.2
119.08574	3.6
121.06512	2.9
121.10145	30.8
123.08106	2.6
123.11710	25.5
125.09628	3.2
125.13258	5.6
127.03926	3.1
127.11115	3.3
131.08560	2.3
135.11684	11.3
137.05966	4.7
137.13260	14.9
139.11214	2.8
145.05074	2.2
149.09607	6.7
149.13300	15.8
151.14825	11.3
153.12746	2.5
155.14230	2.3
163.14822	8.5
165.16348	3.4
167.14275	2.3
177.16435	3.2
179.17932	3.2
180.73303	1.8
191.08537	2.7
191.17871	2.3
193.19551	2.2
215.21353	2.1
251.10663	6.2
262.05280	2.2
275.27289	3.8
279.10074	4.3
293.28510	10.1
311.09372	2.8
311.12732	5.5
311.23724	2.3
311.29416	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	311.2945
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
53.03947	3.5
55.01860	3.9
55.05511	34.9
57.03441	1.6
57.07077	20.2
58.17315	1.5
59.04993	4.9
62.63699	1.3
67.05167	2.7
67.05508	36.0
69.03426	5.3
69.07069	85.6
70.11066	3.0
70.11465	5.5
71.04997	7.1
71.08639	8.7
73.06510	1.3
78.20689	1.5
79.05496	19.7
81.03422	3.3
81.07059	100.0
83.04992	2.2
83.08620	42.3
85.02873	2.9
85.06542	15.9
85.10201	1.7
91.05493	11.1
93.07046	35.9
95.04977	2.9
95.08609	85.5
97.02872	1.8
97.06537	4.7
97.10177	24.2
98.20798	1.9
98.21362	1.8
99.08093	14.5
99.08680	2.1
101.02477	1.4
105.07050	10.1
107.08604	20.3
109.02921	1.7
109.06495	2.6
109.10159	48.9
111.08081	8.8
111.11717	17.0
113.09633	3.0
117.07023	1.5
119.08616	4.9
121.06520	2.3
121.10147	26.4
123.11708	33.8
125.09657	3.6
125.13280	5.6
126.99534	1.5
127.11199	3.3
131.08609	2.2
133.10139	3.2
135.07971	1.5
135.11679	11.5
137.05988	6.6
137.13255	20.5
139.11189	3.3
141.12726	1.8
145.10109	2.2
147.04395	1.7
147.08096	1.8
147.11732	1.8
149.09637	6.6
149.13268	14.6
151.14822	8.7
151.27986	1.7
153.12779	2.2
155.14365	2.7
159.11713	1.9
161.13284	1.8
163.14821	6.0
165.16405	3.7
167.14363	5.1
169.10188	1.8
173.13145	1.7
177.16373	4.2
179.17960	2.0
187.07552	2.4
191.08589	3.6
191.17949	3.2
193.19542	1.8
205.19496	2.3
209.18878	1.6
219.08041	3.1
233.06021	2.0
237.22119	1.8
245.15485	1.7
251.10722	4.9
257.19031	2.4
261.55273	1.7
268.10788	1.9
275.20139	7.9
275.27353	3.0
279.10233	4.8
281.28403	3.9
293.28387	14.8
296.06757	1.7
296.10388	2.6
311.09128	4.6
311.12701	12.8
311.19946	3.1
311.23639	2.3
311.29425	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	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01869	2.1
55.05507	5.0
56.30438	0.9
57.03435	5.2
59.05003	1.2
61.02912	2.1
67.05508	4.2
69.03075	1.3
69.03431	22.7
69.03802	1.5
69.07085	1.0
69.41228	8.0
71.04989	2.7
75.04461	0.9
76.69896	1.0
77.03960	1.3
79.05489	36.6
81.03415	19.5
81.07060	6.5
83.04966	2.0
83.34090	1.1
85.02911	13.4
88.51875	1.0
91.05477	25.4
92.49023	1.1
93.07040	100.0
95.04962	7.1
95.08592	4.8
97.02914	7.5
97.06516	1.8
98.20746	2.1
98.21378	3.2
99.04435	3.2
103.05442	2.2
105.04507	1.3
105.07030	16.5
106.07784	1.2
107.04941	3.8
107.08592	24.4
109.02866	8.0
109.06507	1.8
109.10191	1.6
111.04436	1.0
111.08121	2.6
116.06227	1.0
117.07077	1.3
119.08582	11.7
121.06518	3.9
121.10140	83.4
123.08075	3.5
125.07920	1.1
127.03905	4.9
129.06953	1.6
131.08551	9.3
133.10193	1.4
135.08035	1.5
137.05956	2.3
137.09628	1.4
139.11134	2.1
145.10068	1.7
149.06068	1.0
149.09618	27.3
153.01859	1.7
161.09612	1.4
163.11124	1.2
167.07104	1.2
167.09184	1.8
167.10678	7.8
180.39116	1.0
190.07852	1.3
191.08620	2.0
219.08101	2.7
225.71915	1.1
236.08243	1.4
247.13203	1.3
251.10585	3.9
279.10147	3.0
283.13013	2.4
293.13895	6.6
311.09213	2.6
311.12833	5.8
311.15735	1.3
316.98428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83818	0.8
53.03951	4.7
55.01869	1.9
55.05511	5.5
57.03434	5.6
61.02958	0.9
65.03928	0.9
65.41147	0.7
67.05513	6.2
69.03429	23.1
69.07063	2.0
70.82198	2.0
71.04981	2.5
73.02928	1.4
73.97715	0.8
75.04486	1.9
79.01859	1.3
79.05495	36.2
79.05962	1.8
81.03420	26.1
81.07061	7.9
83.04990	2.3
85.02912	13.5
87.04453	0.9
91.05482	20.6
93.07047	100.0
95.04979	7.0
95.08595	6.1
97.02883	7.4
97.06547	1.2
98.20998	1.6
99.04461	4.3
103.05492	1.4
105.04501	1.7
105.07031	14.2
107.04978	1.9
107.08598	24.0
107.09290	1.8
109.02889	13.3
109.06525	1.7
109.10158	2.6
111.04431	1.3
111.08086	3.3
116.06213	1.6
117.07065	1.2
119.08586	15.1
121.06521	3.9
121.10148	83.7
123.04478	1.2
123.08086	2.9
125.05959	1.2
127.03912	7.6
129.07028	1.5
131.08577	9.0
133.06497	1.5
133.07578	1.2
133.10118	2.3
135.08052	1.0
135.11691	1.4
137.05984	3.0
139.11183	2.5
145.05016	2.0
145.06332	0.8
145.10141	2.6
147.04422	1.4
147.11729	1.3
149.09622	25.8
151.11125	0.8
153.01834	10.3
159.08102	0.8
161.06018	1.2
167.08614	0.9
167.10687	7.4
173.09547	1.1
191.08575	1.4
196.77356	0.9
219.08052	2.3
230.33983	0.9
247.07596	1.7
251.10637	2.8
253.08545	1.0
279.10181	1.6
281.08118	1.3
293.13858	8.1
311.09174	4.1
311.12769	4.1
311.15710	1.2
334.39969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2944
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
53.03939	3.6
55.01873	1.8
55.05509	26.0
57.03429	2.1
57.07079	29.8
59.04993	4.2
67.05505	18.5
69.03413	3.9
69.07069	55.6
71.04986	3.2
71.08627	6.2
79.05497	12.9
81.03407	1.5
81.07057	100.0
83.04987	1.6
83.08617	28.4
85.06067	2.1
85.06542	29.8
85.10168	1.8
91.05467	6.3
93.07046	24.1
95.04968	1.8
95.08607	61.7
97.06525	3.2
97.10172	13.1
98.20946	1.4
99.08096	37.8
99.08746	2.0
105.07033	2.1
107.04982	1.3
107.07958	1.6
107.08607	17.6
109.06490	1.5
109.09457	1.8
109.10160	28.7
111.08091	10.9
111.11720	10.4
113.09634	2.5
119.08585	2.1
121.06477	1.3
121.10139	14.4
123.11710	23.0
125.09651	2.5
125.13284	5.0
127.11172	2.0
131.08626	1.6
135.04370	1.4
135.11700	5.8
137.06004	1.8
137.13266	24.2
139.11151	1.2
149.09647	2.7
149.13257	15.0
151.14801	4.0
153.12746	1.5
155.14307	10.1
163.14818	4.5
165.16385	2.2
167.14375	6.6
177.16528	1.0
179.17984	2.2
181.04890	2.1
191.08528	1.3
205.19450	1.3
209.19038	1.9
219.21172	1.2
229.11986	1.1
237.22176	1.6
251.10655	2.1
267.06564	1.8
275.20093	1.5
275.27292	1.6
279.10208	1.5
281.08182	3.1
281.28513	3.0
293.28363	15.0
311.09064	6.4
311.12735	3.7
311.16336	2.0
311.19922	2.9
311.23373	1.5
311.29486	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0914
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
53.03949	1.0
55.01855	1.2
55.05523	2.1
57.03413	0.5
57.07063	0.7
65.03943	2.2
67.05508	16.9
68.99783	0.7
69.03419	1.5
69.07056	1.6
71.04988	0.5
71.23309	0.7
76.09602	0.4
79.05058	0.6
79.05499	6.6
80.44366	0.4
81.03419	0.8
81.07060	3.9
83.04975	1.2
83.08624	1.4
85.06547	0.7
88.81104	0.4
91.05472	2.5
93.07047	4.5
94.04208	0.5
95.04974	8.3
95.08624	2.8
97.06541	1.0
97.10168	0.8
105.07021	1.4
107.04969	2.8
107.08598	3.3
109.02866	1.5
109.06559	0.5
109.10162	2.2
111.04461	0.7
111.08074	0.9
117.07021	0.8
119.04952	6.0
119.08588	1.2
121.02874	8.3
121.06468	0.7
121.10119	2.5
123.08038	0.5
123.11729	0.5
125.09634	1.6
131.08586	0.8
133.10135	0.9
135.04427	14.5
135.08109	0.5
135.11719	0.8
136.81715	0.4
137.05997	1.0
145.10118	1.0
147.04510	0.5
147.11765	0.6
149.02336	0.6
149.09607	1.3
149.13205	0.4
150.03136	0.9
151.03960	0.6
153.05476	2.8
159.11746	0.6
163.03929	7.5
163.11264	0.6
167.08609	0.5
168.04211	2.4
179.08649	0.6
181.04977	15.0
182.07230	0.4
183.06476	0.5
193.04991	2.6
197.09666	0.5
205.12256	0.5
207.08089	1.7
209.11711	0.4
211.06047	1.4
219.08173	0.7
225.09149	1.3
235.07460	0.4
239.07034	2.6
240.07845	1.2
251.10603	0.8
253.08580	1.0
267.06555	11.8
268.07324	10.9
268.10257	0.5
269.07965	1.1
275.20160	1.2
279.10068	0.9
281.08105	43.7
282.08640	0.4
283.09622	0.9
293.21130	0.8
295.06030	2.8
296.06842	10.3
296.10153	0.6
311.09152	100.0
311.20059	1.5
311.23532	1.0
312.09497	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05509	0.7
61.02929	0.2
65.03932	0.3
67.04245	0.7
67.05508	1.1
69.03433	0.5
69.07082	0.3
69.20486	0.2
71.04974	0.3
71.56742	0.3
72.17625	0.2
75.73612	0.2
78.91666	0.2
79.05505	0.3
80.05016	0.3
81.03410	0.5
81.07037	0.4
82.06586	3.0
85.06535	0.3
91.05492	0.4
93.07028	0.5
94.06586	0.4
95.04971	0.4
95.08636	0.3
103.05470	0.2
107.04966	1.4
107.08550	0.2
108.08113	0.5
109.02878	0.5
109.06517	1.2
110.06049	100.0
111.06382	0.6
112.07610	2.5
112.09681	0.2
122.06063	0.5
124.07614	1.1
127.03951	0.3
133.02885	0.3
134.06042	0.2
135.04413	1.3
136.07602	0.9
137.05995	0.5
140.07072	27.0
141.68735	0.2
142.08664	3.0
152.07144	0.4
154.08643	3.0
156.06543	1.0
156.10191	0.2
167.03467	0.3
172.09694	2.3
177.10263	0.7
179.11809	0.3
205.05037	0.2
219.07993	0.2
230.11737	1.2
248.12811	1.5
251.10780	0.4
251.13962	0.8
256.14920	0.2
257.12753	0.5
258.11188	1.5
275.13940	4.5
276.12311	2.3
279.10150	0.3
293.14966	14.6
311.05389	0.3
311.12555	0.9
311.16010	9.2
334.53793	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	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03946	5.5
53.59065	0.9
55.01870	1.6
55.05518	6.8
57.03432	3.5
61.02921	1.5
67.05504	4.5
69.03071	1.7
69.03432	21.9
69.83942	3.9
71.04997	1.4
79.05497	39.4
81.03420	16.6
81.07054	6.3
85.02916	12.9
87.04481	1.3
91.05483	21.2
93.07050	100.0
95.04964	7.7
95.08596	4.0
97.02885	7.3
98.20985	2.7
99.04458	3.0
103.05479	2.3
105.04544	1.6
105.07037	13.4
107.04957	1.9
107.08597	22.4
109.02873	7.7
109.06513	2.3
109.10165	1.1
109.42787	0.9
111.04414	1.2
111.08076	1.9
115.05449	1.0
117.07001	1.7
119.08586	10.5
121.06495	2.8
121.10147	85.6
123.08054	2.3
123.11726	1.9
127.03944	4.7
129.06979	1.9
131.08578	7.7
133.07591	1.5
133.10133	3.0
137.06004	3.5
139.11208	1.9
145.04895	1.4
145.10164	1.6
148.04599	1.1
149.09619	24.9
151.27744	1.0
153.01875	2.2
161.06038	1.8
163.11212	2.1
167.10689	4.9
187.11078	1.2
191.08560	1.1
219.08076	1.4
236.08334	1.1
251.10564	2.4
269.26642	1.1
279.10181	2.0
293.13876	5.7
311.09442	1.6
311.12137	4.8
311.15643	2.0
311.20090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
61.02914	0.3
67.04238	0.7
67.05495	0.6
69.82649	1.1
75.99606	0.2
80.04999	0.4
82.06579	2.8
95.04961	0.3
98.20879	0.7
98.21464	0.3
107.04967	0.5
108.08116	0.4
109.06543	0.8
110.06046	100.0
112.07590	3.3
122.06034	0.3
124.07610	0.9
135.04396	0.5
136.07646	0.5
140.07071	30.5
142.08652	3.6
154.08632	2.3
156.06572	0.8
156.10213	0.4
172.09686	2.8
192.21141	0.3
230.11937	0.6
248.12891	0.4
251.13974	1.0
257.12878	0.4
258.11310	0.6
275.13910	3.3
276.12241	1.3
293.14954	10.4
311.16031	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	311.0912
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
53.03926	0.6
55.05505	1.6
57.07043	1.0
65.03934	2.3
67.05506	19.1
68.99763	0.5
69.03408	0.6
69.07071	2.8
69.97239	0.5
69.97657	0.8
71.08607	0.6
77.72029	0.2
79.05047	0.4
79.05488	4.7
79.34602	0.3
79.83801	0.2
80.40269	0.2
81.03403	0.5
81.07055	4.7
83.08627	1.5
85.06515	0.8
85.10170	0.3
85.84618	0.2
86.66756	0.2
86.70586	0.3
91.05483	1.9
93.07041	2.5
94.04214	0.4
95.04974	8.3
95.08609	3.7
96.08944	0.3
97.06496	0.3
97.10151	0.8
98.21178	0.9
99.08089	0.5
105.06986	0.8
107.04945	2.1
107.08591	1.4
109.02858	1.3
109.06532	0.5
109.10152	2.0
111.08045	0.7
111.11676	0.5
118.04117	0.3
119.04945	5.5
119.08537	0.8
121.02873	10.3
121.10141	2.6
122.03639	0.7
123.11729	1.5
127.03878	0.4
131.08582	0.3
133.10132	0.3
135.04422	15.7
135.11725	0.5
137.05936	0.9
137.13185	0.5
139.11134	0.2
141.06920	0.3
145.02805	0.5
147.04405	0.3
147.11707	0.4
149.02324	0.4
149.09587	0.8
149.13155	0.5
150.03098	1.5
151.03909	0.6
151.14784	0.3
153.05463	3.3
157.10176	0.3
163.03908	7.6
165.05446	0.5
165.06860	0.3
165.16383	0.3
167.03336	0.5
168.04190	3.4
177.01788	0.3
178.07788	0.5
179.08542	0.3
181.04961	16.5
182.07243	0.9
183.06506	0.6
183.08011	0.4
191.08545	0.4
193.04968	1.7
193.06430	0.3
195.02919	0.4
197.05986	0.3
197.09660	0.4
207.08014	1.5
210.06763	0.4
211.05980	0.8
211.07678	0.3
219.08005	0.4
225.09097	0.9
239.07016	2.7
240.07756	1.2
250.06285	0.3
251.07031	0.4
251.10678	0.4
253.08582	0.6
263.07016	0.4
267.06509	12.4
268.07306	12.4
269.08081	0.7
279.06946	0.3
279.10126	0.5
281.08090	45.4
282.08463	0.7
283.09744	0.9
293.28293	0.5
295.06055	3.0
296.06778	12.4
310.77744	0.2
311.09140	100.0
312.09436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Pectinolide A
Peak:m/z	Relative Intensity
51.57780	0.7
55.01867	1.1
55.05506	1.8
57.07068	0.8
67.05496	3.0
69.03449	1.2
69.07069	30.4
71.04995	1.8
73.06548	4.0
74.38937	0.7
79.05498	3.6
81.07053	5.6
81.38507	0.7
82.52238	0.7
83.01340	1.6
84.83994	0.8
91.05479	1.5
93.07027	3.4
93.77937	0.8
95.08588	1.3
97.02904	1.9
97.06541	9.9
105.07011	2.5
107.04958	1.5
107.08578	3.1
109.06503	2.0
109.10152	3.4
115.07570	80.6
119.08551	2.4
121.10146	2.2
125.05966	1.7
125.09650	1.2
131.08560	1.0
133.10056	1.1
135.04414	1.0
135.08054	2.3
137.05997	10.3
143.08640	1.0
145.10114	1.3
147.11690	1.8
149.09525	0.8
149.13289	1.5
151.07529	1.3
153.05421	1.2
155.07033	66.9
157.10046	0.8
163.14835	1.8
167.06995	2.7
171.08023	0.8
181.04961	100.0
182.05321	1.1
187.14845	0.9
189.16386	1.2
191.07019	0.9
194.65376	0.8
197.08141	1.3
205.15833	4.7
207.17445	1.3
223.16920	1.6
233.15233	1.0
251.12790	20.2
251.16515	1.3
311.19818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.02379	2.2
51.98015	2.2
53.03940	3.0
55.01865	5.9
55.05512	16.0
57.03418	6.9
57.07069	7.1
65.03919	2.8
66.99323	2.5
67.05504	35.2
69.03405	2.2
69.07057	15.2
71.05003	4.0
71.99563	2.4
76.83475	2.0
79.05054	2.6
79.05495	28.3
80.24426	2.6
81.03413	3.6
81.07059	44.6
83.04974	5.1
83.08627	5.0
84.13160	2.2
91.04971	3.3
91.05487	40.7
93.07050	62.8
95.04968	53.3
95.08608	47.4
97.06538	17.6
98.20732	6.8
98.21437	8.8
103.05481	3.3
105.07033	76.1
107.04976	3.5
107.08589	37.7
109.06496	10.9
109.10167	29.2
109.13123	2.4
111.08083	3.3
115.05451	7.7
117.07046	19.2
119.04919	2.4
119.08587	65.3
121.06499	10.1
121.10152	75.9
123.08059	10.6
123.11665	11.7
128.06250	11.2
129.07030	14.4
130.07750	7.5
131.08575	34.4
133.09212	4.2
133.10135	41.7
135.08060	5.9
135.11714	11.5
137.05928	3.0
141.06987	8.8
142.07771	19.3
143.08554	33.6
143.85860	2.3
144.09283	5.7
145.10132	52.0
147.08002	6.7
147.11656	10.2
149.09599	4.4
149.13199	2.6
155.08603	13.8
156.09343	8.0
157.10133	36.7
158.10866	5.2
159.08031	3.8
159.11703	32.9
161.09579	4.1
161.13258	8.3
167.03378	4.1
167.08543	7.0
168.09341	5.0
169.10158	25.8
170.10857	9.2
171.11707	21.1
173.09578	4.3
173.11848	4.9
173.13237	22.6
175.07561	2.5
175.14832	6.7
179.08565	5.9
180.09322	3.7
181.10114	11.4
182.10872	5.6
183.11707	20.8
185.13240	16.7
187.11147	8.7
187.14828	17.8
189.12790	2.6
193.10086	8.3
194.10925	7.0
195.11758	14.4
196.12437	6.6
197.13264	14.7
199.14781	7.3
201.12776	4.8
201.16420	3.5
206.10881	6.4
207.11725	5.7
209.13307	12.8
210.13976	3.1
211.11131	3.2
211.14807	8.9
213.12767	6.9
213.16394	8.7
220.12483	3.5
221.13252	7.7
223.14774	6.7
225.12737	3.9
225.16353	8.6
231.13799	18.4
235.14824	10.7
239.14491	2.6
239.17885	6.2
249.16364	4.9
251.17870	4.4
253.15784	5.0
265.19473	4.2
267.17252	3.6
281.22696	9.1
286.24686	2.4
291.21140	14.4
309.22089	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	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.6
57.07071	7.7
61.02916	4.9
67.05497	13.6
69.03423	11.4
69.27953	21.0
71.05000	9.8
79.05487	2.5
81.03429	8.2
85.02908	44.7
85.06546	8.0
91.03990	3.3
91.05489	2.5
91.64888	1.9
95.04975	18.9
96.15741	2.4
97.02898	12.5
98.20833	6.9
98.21535	5.0
99.04454	2.8
107.04920	2.8
109.02896	8.8
109.06527	2.2
110.06047	7.2
113.06007	52.5
120.08114	15.3
124.03963	4.2
127.03909	9.4
131.07039	100.0
135.04457	2.4
136.43346	2.2
139.03911	23.7
140.04263	22.4
140.06961	2.2
141.04390	18.8
142.04684	12.7
145.04933	13.7
153.01784	3.7
157.05011	4.3
163.03886	2.9
166.05003	4.8
171.06578	3.0
232.14145	6.4
264.08710	2.4
275.14026	2.8
310.09247	2.9
310.12759	3.6
310.20145	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	309.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01852	1.2
55.05511	7.3
56.08119	0.5
57.03426	1.8
57.07076	6.5
59.05016	0.8
65.03928	1.4
67.05165	0.8
67.05505	10.1
68.01202	0.4
68.62230	0.4
69.03432	5.5
69.07069	15.7
70.21131	2.0
71.04983	2.2
71.08633	4.7
79.05488	5.3
81.03420	9.1
81.07057	24.2
83.04973	1.9
83.08621	7.7
85.02913	4.5
85.06528	1.9
85.10172	1.6
91.05479	13.4
91.36271	0.5
92.05730	0.6
93.07047	9.7
95.04981	2.6
95.08607	25.7
97.02870	1.4
97.06522	1.2
97.10174	4.9
98.21063	1.0
99.04462	1.3
105.07024	6.3
107.08593	8.3
109.02845	3.8
109.06487	2.3
109.10155	13.8
111.08086	2.4
111.11722	3.6
113.06038	0.9
119.04945	28.0
119.08576	4.9
120.05302	0.8
121.10153	6.3
123.04414	1.3
123.08074	1.3
123.11716	8.1
125.09650	1.6
125.13258	1.5
127.03899	1.3
127.07551	0.9
131.08482	0.6
133.10124	3.0
135.11702	5.7
137.09604	1.6
137.13255	3.9
139.11179	1.5
142.07738	0.6
143.08578	0.7
145.10104	1.4
147.04410	100.0
147.11687	5.0
148.04707	2.6
149.13274	3.8
151.14804	1.6
153.12747	1.1
155.10706	1.3
157.10095	0.8
161.13292	2.6
163.11183	0.6
163.14816	2.5
165.05531	3.6
165.12740	1.6
165.16455	1.2
175.14792	1.1
177.16319	1.2
179.14360	0.9
179.17899	0.7
183.13885	0.6
185.07637	0.6
185.13289	0.7
189.16383	1.1
203.18002	0.9
205.19473	0.5
206.07286	0.8
213.12727	1.0
217.19502	1.5
221.09529	0.5
231.13860	2.0
235.13321	0.6
249.09219	0.8
273.25751	4.1
277.08459	1.1
281.11743	0.8
291.08627	8.1
291.19562	1.0
291.26776	3.3
309.10883	2.0
309.16846	0.7
309.27905	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	309.2786
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
51.87176	1.7
53.03942	1.7
55.01854	2.4
55.05512	27.8
57.03436	3.1
57.07075	23.5
67.05500	37.4
69.07066	57.5
70.22039	5.1
71.04973	6.0
71.08640	13.6
72.14111	1.5
73.54346	1.3
79.05490	19.8
81.03420	2.4
81.07058	100.0
83.04988	4.7
83.08140	2.1
83.08617	35.3
83.41627	1.6
85.06540	4.8
85.10181	5.5
91.05480	14.9
93.07043	35.1
95.04966	6.4
95.08608	82.4
97.06527	5.0
97.10169	20.0
98.20952	3.3
99.08087	2.0
105.07035	20.9
107.08598	32.2
109.06511	4.5
109.10157	54.4
109.80084	1.7
111.08088	4.5
111.11715	12.0
112.95399	1.5
115.07526	2.2
119.04926	3.2
119.08574	13.3
121.10144	24.0
123.04403	2.5
123.08052	6.7
123.11702	29.1
125.09668	2.6
125.13262	4.1
133.10118	11.0
135.11711	20.1
137.09628	7.2
137.13255	16.8
139.11147	6.0
141.09058	2.8
143.39609	1.5
145.10121	1.8
147.04391	12.6
147.11679	14.5
149.13290	13.7
151.11122	2.7
151.14824	5.3
151.35687	1.6
153.12761	2.3
155.10652	5.6
161.13257	8.1
163.14813	8.0
165.12689	3.5
165.16423	2.0
175.14883	4.3
177.16403	3.2
179.14264	2.1
179.17923	2.6
183.13718	2.7
185.13286	3.4
189.16391	4.0
191.17909	4.7
203.17982	4.5
205.19469	2.4
208.91869	1.9
217.19490	5.8
231.13747	4.6
234.06633	1.9
235.13380	2.1
247.24316	2.8
273.25836	15.4
277.08698	3.4
291.26834	13.7
309.11237	2.6
309.16766	2.6
309.22507	1.7
309.27881	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.92865	2.0
55.01870	8.4
55.05500	10.4
57.03437	36.8
57.07069	6.2
62.53330	2.0
65.03952	2.3
65.22027	1.8
67.05507	49.0
68.99808	3.3
69.03440	3.9
69.07069	7.3
71.04987	6.5
71.56566	3.3
79.05489	17.7
81.03427	5.4
81.07056	30.1
83.04984	7.2
83.08623	7.3
85.06546	30.6
91.05490	17.9
93.07052	15.2
95.04979	42.5
95.08624	16.9
97.06528	4.8
97.10177	5.1
99.04438	2.7
100.94945	1.8
105.07044	15.8
106.08975	2.3
107.04982	2.5
107.08607	15.3
107.59297	2.0
109.06519	37.3
109.10175	26.2
111.00799	2.9
111.04488	4.1
111.08086	2.2
113.06011	100.0
117.07020	7.6
119.04939	2.6
119.08580	10.9
120.24664	2.0
121.06497	4.5
121.10149	7.7
123.04474	3.7
123.08066	4.9
123.11744	5.0
127.03908	3.5
129.07033	4.7
131.08585	9.0
133.10136	6.3
135.08051	34.1
135.11679	4.1
137.05977	2.9
137.09619	4.2
139.03908	32.1
141.05431	2.0
143.08554	4.8
145.10126	7.5
147.04407	3.9
147.08060	3.1
147.11690	3.4
147.46272	2.1
149.09630	5.6
149.13274	2.7
151.07491	4.7
153.09244	2.2
155.07033	9.2
157.10126	5.6
159.11699	4.9
161.09656	5.5
163.11229	2.7
167.07004	3.6
169.10173	2.6
171.11667	3.7
173.11758	5.6
173.13300	3.7
173.18419	2.1
175.07527	2.1
175.11183	2.5
177.12747	2.7
178.84976	1.9
183.17509	2.9
185.13289	7.6
189.12782	3.0
189.16396	2.7
195.13777	2.2
201.12741	3.3
207.13748	2.2
213.12724	3.6
217.15933	11.3
221.19102	2.2
231.13858	13.6
245.18832	2.8
260.57257	1.9
273.18515	17.0
275.60510	1.9
285.65616	2.1
291.19531	46.9
309.11328	3.9
309.17267	2.9
309.20822	7.4
316.70737	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03956	1.5
55.01861	3.7
55.05513	28.9
57.03435	1.7
67.05505	20.0
69.03418	3.4
69.07069	9.0
71.57066	1.5
75.34145	1.4
79.05495	17.6
81.03415	3.3
81.06638	1.9
81.07061	22.4
83.04979	3.7
83.08627	13.0
85.02988	1.2
85.06554	2.0
91.05479	10.8
93.07058	12.7
95.04974	6.9
95.08610	9.6
97.06519	2.2
97.10176	21.2
98.98521	1.7
103.52969	1.2
105.07016	8.6
107.04951	4.4
107.08599	11.7
109.06499	2.6
109.10155	9.4
111.04424	2.0
111.08064	2.8
117.07018	4.0
119.08601	9.0
119.09312	1.6
121.06493	3.4
121.10152	5.2
122.10254	1.2
123.04469	1.6
123.08054	9.1
123.11671	1.5
125.09650	15.7
127.03936	1.5
129.07080	2.9
131.08585	7.4
133.06519	3.0
133.10138	5.1
135.08070	3.4
135.11716	2.7
137.05975	2.8
137.09581	1.9
143.08543	3.6
145.10132	5.1
147.08032	5.7
147.11668	3.0
149.09637	1.6
151.07539	2.3
155.07025	2.0
156.09286	1.3
157.10155	4.8
159.11697	1.8
161.09619	1.7
163.11148	1.9
165.09100	5.5
171.11662	3.1
172.04399	1.2
173.11745	3.4
175.11224	2.4
179.41147	1.4
185.13235	4.0
189.11241	9.1
213.12662	3.2
223.13258	3.2
223.18672	1.2
231.13785	10.0
245.19093	1.9
249.14693	1.6
263.20099	1.4
273.18506	12.4
291.19547	100.0
292.20013	1.9
309.17419	2.5
309.20746	7.3
328.08939	1.2
332.04321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03937	7.5
53.04214	2.2
55.01872	17.6
55.05513	30.6
56.76305	2.4
57.03439	42.0
57.07066	8.3
59.04988	3.7
59.68180	2.2
65.03928	6.6
67.05172	4.7
67.05508	79.2
69.03407	9.4
69.07067	37.4
71.04996	16.8
71.08632	3.5
77.03897	2.8
79.05496	63.0
81.03416	24.1
81.07059	100.0
83.04984	17.0
83.08620	15.8
85.02896	5.2
85.06532	10.4
91.05482	62.9
92.05802	2.9
93.07045	62.0
95.04969	32.4
95.08608	76.1
97.02880	2.6
97.06534	51.9
97.10160	8.2
99.04465	5.1
99.08099	29.5
105.07028	55.9
107.04951	19.2
107.08589	47.2
109.02863	4.6
109.06540	26.3
109.09461	3.2
109.10161	49.8
111.04436	11.3
111.08079	11.6
113.06036	3.1
115.05492	3.7
115.07569	6.0
117.07018	19.7
119.04957	15.9
119.08591	36.1
121.06489	13.7
121.10137	26.3
123.04416	5.6
123.08067	16.8
123.11698	9.1
125.05947	3.2
125.09608	5.6
127.07549	11.7
128.06184	3.6
129.06985	15.8
131.08560	29.4
133.06497	5.6
133.10135	41.4
135.08063	17.6
135.11711	17.5
137.05988	2.9
137.09621	9.1
137.13260	3.1
139.07535	11.7
141.06958	5.0
142.07845	2.4
143.08588	12.5
145.06337	3.8
145.10129	23.4
147.04404	53.2
147.08087	12.3
147.11674	14.2
149.09599	13.4
149.13242	7.7
151.07564	7.2
151.11230	15.9
153.05516	15.3
153.09122	6.1
155.08546	5.1
155.10634	2.4
157.10120	16.5
159.11685	15.3
161.09619	11.1
161.13258	7.4
163.11153	6.6
163.14719	2.3
165.05565	3.4
165.12878	3.0
167.07089	3.0
167.10611	2.9
169.10141	3.5
169.12334	3.0
171.11725	11.3
173.09644	6.9
173.11736	6.6
173.13278	6.8
175.11180	10.0
177.12740	3.0
179.03378	7.6
179.10757	3.2
183.11729	4.1
185.13264	9.3
187.11212	3.2
187.14709	5.1
189.11118	3.5
191.14302	3.8
197.04405	4.6
199.14824	7.1
203.14388	3.1
207.13690	4.8
213.12685	6.4
217.15898	13.5
219.13788	10.0
221.15437	3.3
227.17818	2.6
231.13850	17.0
233.15306	7.2
235.13164	3.3
235.16896	5.4
245.19072	4.8
249.09058	4.7
249.11353	6.5
249.14787	3.4
251.16394	5.2
255.17548	5.2
263.20081	4.2
273.18509	34.6
273.25830	4.4
277.08524	5.2
279.06418	2.6
291.08752	2.6
291.19525	63.7
309.11130	10.1
309.17322	4.0
309.20569	26.7
309.27908	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	309.206
Annotation	[7]-Gingerol
Peak:m/z	Relative Intensity
55.05516	1.6
57.07063	1.4
67.05506	4.4
69.03407	0.6
69.07054	2.3
69.74297	1.9
71.08617	0.7
79.05506	2.4
81.07058	10.2
83.01344	3.3
83.04996	0.5
83.08598	0.3
85.10147	0.5
91.05475	3.0
93.07033	0.7
95.04981	1.6
95.08613	6.7
98.21381	0.6
105.07031	2.3
107.04947	0.9
107.08602	0.8
109.06522	8.8
109.10178	0.4
111.08129	0.3
115.05412	0.5
117.07046	0.5
119.08571	1.1
121.06526	2.1
123.04425	1.1
123.08092	0.8
124.05215	1.0
125.06012	0.6
127.15575	0.3
129.07001	1.4
133.06503	3.3
135.08054	0.7
135.11755	0.4
135.83156	0.3
137.05975	21.1
137.09586	0.4
137.13229	0.9
139.07516	0.9
143.08600	0.4
147.08038	2.7
149.05998	0.5
149.07152	0.4
150.06790	0.9
151.07538	5.3
153.05479	5.0
155.07024	6.2
155.14331	0.4
161.05983	7.8
162.06772	0.7
165.05539	2.0
165.06833	0.3
165.09120	7.9
167.07042	100.0
168.04205	0.5
168.07381	1.1
175.07521	2.5
177.05452	2.0
178.06296	2.6
179.07050	1.4
179.10576	0.3
181.04948	0.4
181.08626	1.2
183.06528	3.5
185.13397	0.4
189.09192	0.4
191.07037	0.7
192.07744	0.4
193.08614	22.5
207.10165	1.3
209.11642	0.7
213.12646	0.5
223.13382	0.4
231.13860	0.8
235.13380	0.4
291.19458	3.1
309.20596	59.3
310.20990	1.2
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
53.03939	5.5
55.01875	18.3
55.05514	28.1
57.03425	6.6
57.07077	3.1
59.04991	3.4
65.03931	2.2
66.15583	2.0
67.05508	80.1
68.40948	1.9
69.03423	5.8
69.07068	26.5
71.04996	9.5
71.08627	2.4
74.97543	1.9
77.03944	2.0
79.05502	45.7
81.03417	6.4
81.07061	99.5
83.01342	4.9
83.05006	14.3
83.08612	10.7
85.02939	2.6
85.06548	9.3
90.42583	1.9
91.05480	57.5
93.07043	47.5
95.04976	13.6
95.08607	33.9
97.02876	2.8
97.06538	6.7
97.10184	4.6
98.20734	5.9
98.21456	7.9
99.04456	3.5
99.08089	5.6
105.07036	53.5
107.04964	9.3
107.07873	3.3
107.08599	54.1
109.06519	13.6
109.10162	83.1
111.04442	7.8
111.08089	8.8
113.05982	3.6
116.37063	1.9
117.07037	6.9
119.08578	21.1
121.06514	15.0
121.10150	10.1
123.04399	3.2
123.08083	8.5
123.11719	11.1
125.09609	4.1
127.07581	5.7
128.06207	2.6
129.07019	6.3
131.08572	15.3
133.06488	7.8
133.10136	100.0
135.08049	7.8
135.11685	11.1
137.05948	5.8
137.09598	3.6
139.07536	5.5
141.12741	11.4
142.07805	2.5
143.08562	9.7
145.10162	10.4
147.08044	10.6
147.11667	6.2
149.09650	8.8
151.07591	2.8
151.11191	66.0
153.09146	3.5
155.08472	3.1
156.09380	2.3
157.10126	7.6
159.08160	2.6
159.11662	4.4
160.10645	2.0
161.09596	10.8
161.13326	3.4
163.11237	2.8
164.11656	2.0
165.09113	3.0
169.12245	23.0
171.11737	3.2
173.09613	2.8
173.63776	2.3
175.11247	4.8
179.14372	3.4
181.08684	2.6
181.12300	2.2
182.05296	3.3
183.05461	3.5
183.11749	3.3
185.13295	6.2
189.12732	3.5
199.11241	3.7
213.12813	3.9
215.12784	3.5
217.12183	3.2
227.17924	3.0
231.13821	18.0
231.17488	2.6
235.13181	3.5
241.98795	2.3
245.19034	17.4
249.14905	2.2
255.17490	3.7
263.20044	16.3
273.18469	32.0
291.19556	60.0
291.22867	3.1
309.20499	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	309.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
53.04214	2.2
55.01872	17.6
55.05513	30.6
56.76305	2.4
57.03439	42.0
57.07066	8.3
59.04988	3.7
59.68180	2.2
65.03928	6.6
67.05172	4.7
67.05508	79.2
69.03407	9.4
69.07067	37.4
71.04996	16.8
71.08632	3.5
77.03897	2.8
79.05496	63.0
81.03416	24.1
81.07059	100.0
83.04984	17.0
83.08620	15.8
85.02896	5.2
85.06532	10.4
91.05482	62.9
92.05802	2.9
93.07045	62.0
95.04969	32.4
95.08608	76.1
97.02880	2.6
97.06534	51.9
97.10160	8.2
99.04465	5.1
99.08099	29.5
105.07028	55.9
107.04951	19.2
107.08589	47.2
109.02863	4.6
109.06540	26.3
109.09461	3.2
109.10161	49.8
111.04436	11.3
111.08079	11.6
113.06036	3.1
115.05492	3.7
115.07569	6.0
117.07018	19.7
119.04957	15.9
119.08591	36.1
121.06489	13.7
121.10137	26.3
123.04416	5.6
123.08067	16.8
123.11698	9.1
125.05947	3.2
125.09608	5.6
127.07549	11.7
128.06184	3.6
129.06985	15.8
131.08560	29.4
133.06497	5.6
133.10135	41.4
135.08063	17.6
135.11711	17.5
137.05988	2.9
137.09621	9.1
137.13260	3.1
139.07535	11.7
141.06958	5.0
142.07845	2.4
143.08588	12.5
145.06337	3.8
145.10129	23.4
147.04404	53.2
147.08087	12.3
147.11674	14.2
149.09599	13.4
149.13242	7.7
151.07564	7.2
151.11230	15.9
153.05516	15.3
153.09122	6.1
155.08546	5.1
155.10634	2.4
157.10120	16.5
159.11685	15.3
161.09619	11.1
161.13258	7.4
163.11153	6.6
163.14719	2.3
165.05565	3.4
165.12878	3.0
167.07089	3.0
167.10611	2.9
169.10141	3.5
169.12334	3.0
171.11725	11.3
173.09644	6.9
173.11736	6.6
173.13278	6.8
175.11180	10.0
177.12740	3.0
179.03378	7.6
179.10757	3.2
183.11729	4.1
185.13264	9.3
187.11212	3.2
187.14709	5.1
189.11118	3.5
191.14302	3.8
197.04405	4.6
199.14824	7.1
203.14388	3.1
207.13690	4.8
213.12685	6.4
217.15898	13.5
219.13788	10.0
221.15437	3.3
227.17818	2.6
231.13850	17.0
233.15306	7.2
235.13164	3.3
235.16896	5.4
245.19072	4.8
249.09058	4.7
249.11353	6.5
249.14787	3.4
251.16394	5.2
255.17548	5.2
263.20081	4.2
273.18509	34.6
273.25830	4.4
277.08524	5.2
279.06418	2.6
291.08752	2.6
291.19525	63.7
309.11130	10.1
309.17322	4.0
309.20569	26.7
309.27908	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	309.1697
Annotation	Rudmollitrin
Peak:m/z	Relative Intensity
55.01862	6.8
55.05500	16.9
57.03441	13.8
64.35210	5.6
67.05509	84.0
69.03426	11.2
69.07086	9.2
71.04979	7.4
73.67476	5.6
79.05497	22.4
81.07061	49.6
83.08609	7.3
91.05486	33.1
92.47822	6.0
93.07040	25.8
95.04990	11.0
95.08625	42.9
97.20660	5.8
98.20948	37.6
103.96688	6.9
105.07066	14.8
107.08582	18.4
109.06537	11.4
109.10175	100.0
117.07041	8.3
119.08583	21.6
121.10135	6.1
123.11655	10.2
131.08574	7.9
133.10178	21.6
137.06004	19.2
137.09653	20.8
143.08560	12.8
151.07541	14.7
151.11212	10.3
153.05516	10.7
155.07051	38.3
157.10170	18.3
161.09534	6.8
165.09125	7.3
167.03381	32.7
167.07097	59.2
171.11690	7.2
173.11797	15.7
181.04973	75.9
185.13219	29.1
191.07028	7.3
207.10181	10.5
213.12766	21.7
229.34076	6.2
231.13821	60.8
251.18301	5.9
273.14941	16.5
277.41534	6.3
291.15991	7.2
291.19614	7.7
309.17038	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	[7]-Gingerol
Peak:m/z	Relative Intensity
52.92966	0.4
55.01867	0.5
55.05516	2.7
57.07081	4.7
67.05510	5.1
69.07080	3.0
70.70997	0.7
70.71363	0.9
71.04971	0.7
71.08631	3.7
72.04520	0.5
79.05479	1.3
81.03429	0.5
81.07061	8.1
83.01349	3.3
83.08619	0.5
85.10174	1.8
91.05479	2.5
93.07048	1.4
93.86137	0.3
95.08036	0.7
95.08611	7.9
97.10175	0.9
97.66129	0.4
105.07037	0.6
107.08621	0.6
109.06506	2.0
109.10153	1.0
113.05943	0.5
113.09624	0.4
117.07030	0.3
119.08576	3.0
121.06493	0.7
121.10101	0.5
123.04460	0.5
123.08057	2.4
123.46090	0.3
124.05148	0.4
125.05977	0.9
125.62893	0.3
128.06308	0.4
129.06998	0.6
133.06526	0.5
133.10196	0.5
137.05992	4.7
137.09628	1.2
137.13252	0.8
139.07561	5.1
147.08052	8.7
151.07550	18.6
152.49271	0.4
153.05479	0.7
154.06218	0.5
155.07057	2.6
155.14362	0.7
161.05966	0.6
161.09650	0.7
165.05467	1.7
165.09123	6.9
166.76607	0.5
167.07051	56.7
175.07555	11.4
177.05595	0.5
178.06282	1.9
179.06981	2.2
181.04988	1.5
181.08601	1.8
183.06541	24.6
191.07007	0.6
193.08617	13.8
207.10197	0.8
216.87633	0.4
231.13817	0.7
265.90598	0.5
291.19553	3.0
309.20605	100.0
310.20859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Paecilocin B
Peak:m/z	Relative Intensity
53.50918	0.4
55.05506	4.3
57.03427	0.9
57.06858	0.4
57.07077	4.4
65.03937	0.7
66.27396	0.4
67.05506	6.3
68.99776	2.8
69.03440	1.2
69.07069	3.9
70.83299	0.9
71.04987	0.7
71.08624	1.9
79.05499	1.5
81.03417	2.0
81.07071	5.9
83.04961	1.1
83.08636	3.3
85.02901	0.8
85.10168	0.7
91.05497	2.5
93.07032	1.3
95.04961	3.9
95.08613	7.1
97.02962	0.4
97.10187	1.3
98.21114	0.6
99.04472	0.8
105.07018	0.5
105.85755	0.4
107.08617	0.7
107.68406	0.4
109.02871	1.4
109.06509	1.5
109.10160	2.9
111.04443	1.7
119.04955	3.6
119.08562	1.2
123.04442	10.9
123.11707	0.5
124.82269	0.4
125.05976	0.6
127.03922	8.0
133.10152	1.0
137.05983	13.5
139.03908	57.2
145.10144	0.6
147.04419	1.9
149.13321	0.5
151.03938	2.6
153.01854	2.0
153.05457	4.3
155.03398	40.2
165.05490	19.2
165.06885	0.9
169.04926	0.6
179.07072	1.5
189.16399	1.3
198.66875	0.4
200.59204	0.4
206.64191	0.4
207.17477	0.8
225.18460	0.7
231.13826	1.0
235.13258	1.1
291.19510	3.0
309.20612	100.0
310.20969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1696
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
53.03927	5.3
55.05521	35.3
57.03444	9.8
57.07070	11.2
59.04976	6.7
64.47158	4.8
65.03930	5.0
67.05505	66.0
69.03400	6.2
69.07069	49.3
69.69213	24.1
69.69624	11.0
71.04994	8.1
73.36224	5.6
79.05487	20.1
81.03419	12.8
81.07060	84.8
83.04974	9.6
83.08617	15.1
85.06557	12.2
85.41213	5.8
91.05470	32.1
93.07050	44.2
95.04974	9.4
95.08608	90.5
97.06519	17.0
97.10119	9.2
99.08034	7.1
100.06034	5.9
105.07033	21.5
107.04964	8.2
107.08590	20.7
109.06512	8.6
109.10172	42.7
111.08109	12.7
111.11726	10.0
111.78638	5.3
113.90131	4.8
117.07038	7.5
119.04945	13.4
119.08621	28.2
121.10136	22.3
123.08082	7.1
123.11736	14.9
125.09616	6.5
129.07054	6.2
131.08568	5.7
133.10120	10.4
135.08058	9.6
135.11717	11.3
137.05977	14.5
137.09602	24.8
137.13307	10.2
139.11133	6.9
143.08578	11.1
147.04413	36.5
147.08044	9.6
147.11691	8.7
149.13303	7.7
151.07558	7.9
153.01764	5.2
155.07036	27.2
155.10583	6.1
157.10127	18.0
159.11638	6.6
161.09709	6.0
163.14868	7.0
167.07047	51.1
171.11772	8.2
173.66689	5.4
181.04956	100.0
185.13264	10.6
189.08989	5.8
191.07106	7.2
193.08691	8.9
231.13832	32.3
260.41791	5.2
273.14905	11.9
277.08511	7.4
291.16040	7.6
291.19244	8.1
291.26343	8.2
309.17047	6.8
309.27866	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	309.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.2
55.05500	20.9
56.97125	5.9
57.03432	13.5
57.07066	10.4
59.05003	6.8
64.49371	4.8
67.05504	71.0
68.12858	5.3
69.03431	15.7
69.07057	23.5
69.54428	5.6
71.04986	12.0
79.05491	39.5
80.56207	5.7
81.03416	8.9
81.07056	80.4
83.04966	16.8
83.08605	17.3
85.02869	8.6
85.06530	11.9
91.05481	45.4
93.07043	51.2
95.04949	19.6
95.08601	55.9
97.06512	10.5
97.10133	6.4
99.08040	5.8
103.05545	5.8
104.30796	5.3
105.06994	29.4
107.04996	7.7
107.08617	30.5
109.06504	12.7
109.10137	34.8
111.08117	6.6
117.07042	14.4
119.04947	8.0
119.08567	34.7
120.69852	5.5
121.06505	14.9
121.10166	20.9
123.04449	9.1
123.08055	17.1
123.11707	15.6
127.03918	10.5
128.06261	10.8
129.07014	22.0
131.08569	20.5
133.06429	8.2
133.10141	22.3
135.08025	14.1
135.11678	8.8
137.05966	14.8
137.09625	10.0
139.03909	100.0
143.08569	21.9
145.10121	13.5
147.04417	24.0
147.08028	11.5
147.11688	10.6
149.09685	6.6
151.07574	7.2
153.01820	35.7
155.08600	8.8
157.10049	13.6
159.11653	7.8
165.05464	6.8
167.06970	7.4
169.10109	6.4
171.11783	9.6
173.09654	8.0
173.11768	10.2
175.11198	8.7
185.13268	25.1
193.08464	8.8
213.12727	19.3
231.13815	69.1
248.94800	6.7
249.14943	6.4
254.77229	7.2
255.14755	5.9
273.18494	15.8
291.16455	7.5
291.19504	35.4
309.17578	7.8
309.21143	6.4
312.30408	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	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01886	2.4
55.05507	2.6
61.02925	4.6
65.03929	1.7
67.05518	8.6
68.71727	1.5
69.03437	9.5
70.06602	1.9
71.57625	2.9
79.05476	3.8
80.04998	2.1
81.03410	8.3
81.07049	4.1
82.06581	3.4
85.02901	3.0
85.06541	2.6
85.45540	1.5
91.05490	12.8
93.07037	2.2
94.06549	3.1
95.04977	3.5
96.04486	4.8
96.08145	2.0
97.02887	4.7
97.06524	1.8
98.06050	3.2
99.04459	2.9
100.02197	2.6
107.08620	2.1
108.69150	1.6
109.02862	4.9
109.10123	1.8
110.06062	11.1
115.05412	1.8
119.04945	24.9
119.08561	3.9
122.06036	9.5
123.04465	1.8
123.06790	6.9
124.07611	10.0
127.03968	3.4
128.06221	2.4
129.06998	2.6
130.06503	2.2
131.08551	2.9
133.06474	1.9
136.07581	9.6
137.05959	1.8
138.09142	2.3
140.07030	5.4
142.07643	2.0
142.08655	4.5
143.08562	4.8
145.02824	1.9
145.06503	1.7
146.02663	2.8
146.06020	3.1
146.09613	2.3
147.04417	84.6
150.05502	17.9
151.06331	14.1
152.07080	14.3
153.01840	6.5
154.08647	3.2
157.10165	4.8
158.09628	6.4
160.07571	3.8
160.09978	2.5
160.11206	3.0
165.05530	3.1
165.06927	2.2
166.05031	3.3
167.07321	2.7
168.06578	8.9
168.07988	2.6
172.07550	2.6
173.07159	3.3
174.09163	3.8
175.08673	3.0
175.12305	7.5
176.09392	2.2
177.05446	2.4
182.08389	2.0
185.08430	2.9
185.13235	6.9
186.09161	13.3
187.08682	4.9
188.09424	15.4
188.10828	2.9
191.11795	5.4
192.08055	3.0
193.08784	2.7
193.13510	2.2
199.08716	2.7
200.07077	2.5
200.10864	3.3
201.06609	5.4
201.10304	2.7
203.11792	27.8
204.10202	5.8
208.02928	14.6
208.09946	2.6
209.10738	18.6
213.07825	9.6
213.09753	1.8
213.12701	4.5
214.08656	3.7
214.11015	2.1
215.08147	29.2
215.11760	3.6
216.08736	12.2
219.11192	2.9
221.12971	9.0
222.07851	7.8
225.10358	2.1
227.08183	15.0
227.11836	5.1
228.10274	11.7
229.09735	31.0
231.11295	42.1
231.13815	22.4
237.10278	10.6
240.08972	6.3
242.10548	10.4
243.11267	3.9
245.04468	3.1
245.12831	3.2
246.11270	13.5
249.12379	74.9
255.11330	37.1
256.09729	11.2
260.11554	54.1
261.12320	5.1
273.04138	1.7
273.12354	69.4
274.10660	17.6
291.13406	82.0
292.11444	1.9
309.14444	100.0
310.14908	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	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01886	2.4
55.05507	2.6
61.02925	4.6
65.03929	1.7
67.05518	8.6
68.71727	1.5
69.03437	9.5
70.06602	1.9
71.57625	2.9
79.05476	3.8
80.04998	2.1
81.03410	8.3
81.07049	4.1
82.06581	3.4
85.02901	3.0
85.06541	2.6
85.45540	1.5
91.05490	12.8
93.07037	2.2
94.06549	3.1
95.04977	3.5
96.04486	4.8
96.08145	2.0
97.02887	4.7
97.06524	1.8
98.06050	3.2
99.04459	2.9
100.02197	2.6
107.08620	2.1
108.69150	1.6
109.02862	4.9
109.10123	1.8
110.06062	11.1
115.05412	1.8
119.04945	24.9
119.08561	3.9
122.06036	9.5
123.04465	1.8
123.06790	6.9
124.07611	10.0
127.03968	3.4
128.06221	2.4
129.06998	2.6
130.06503	2.2
131.08551	2.9
133.06474	1.9
136.07581	9.6
137.05959	1.8
138.09142	2.3
140.07030	5.4
142.07643	2.0
142.08655	4.5
143.08562	4.8
145.02824	1.9
145.06503	1.7
146.02663	2.8
146.06020	3.1
146.09613	2.3
147.04417	84.6
150.05502	17.9
151.06331	14.1
152.07080	14.3
153.01840	6.5
154.08647	3.2
157.10165	4.8
158.09628	6.4
160.07571	3.8
160.09978	2.5
160.11206	3.0
165.05530	3.1
165.06927	2.2
166.05031	3.3
167.07321	2.7
168.06578	8.9
168.07988	2.6
172.07550	2.6
173.07159	3.3
174.09163	3.8
175.08673	3.0
175.12305	7.5
176.09392	2.2
177.05446	2.4
182.08389	2.0
185.08430	2.9
185.13235	6.9
186.09161	13.3
187.08682	4.9
188.09424	15.4
188.10828	2.9
191.11795	5.4
192.08055	3.0
193.08784	2.7
193.13510	2.2
199.08716	2.7
200.07077	2.5
200.10864	3.3
201.06609	5.4
201.10304	2.7
203.11792	27.8
204.10202	5.8
208.02928	14.6
208.09946	2.6
209.10738	18.6
213.07825	9.6
213.09753	1.8
213.12701	4.5
214.08656	3.7
214.11015	2.1
215.08147	29.2
215.11760	3.6
216.08736	12.2
219.11192	2.9
221.12971	9.0
222.07851	7.8
225.10358	2.1
227.08183	15.0
227.11836	5.1
228.10274	11.7
229.09735	31.0
231.11295	42.1
231.13815	22.4
237.10278	10.6
240.08972	6.3
242.10548	10.4
243.11267	3.9
245.04468	3.1
245.12831	3.2
246.11270	13.5
249.12379	74.9
255.11330	37.1
256.09729	11.2
260.11554	54.1
261.12320	5.1
273.04138	1.7
273.12354	69.4
274.10660	17.6
291.13406	82.0
292.11444	1.9
309.14444	100.0
310.14908	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	309.1333
Annotation	3-Oxa-achillicin
Peak:m/z	Relative Intensity
55.01868	9.9
55.05502	22.2
57.03429	16.1
57.07076	13.6
59.05009	8.1
67.05511	76.1
67.18015	5.9
69.03436	6.1
69.07063	11.9
70.51873	19.2
71.04993	8.6
79.05502	33.4
80.49641	5.5
81.07065	63.3
83.04991	14.0
83.08633	11.7
85.06585	5.8
91.05489	32.1
93.07053	33.9
95.04967	23.1
95.08611	55.3
97.06529	5.3
97.10184	5.8
97.78758	5.3
98.98459	6.1
99.19707	5.8
105.07014	23.9
107.04929	10.6
107.08582	24.8
109.06522	23.0
109.10162	80.3
110.79198	6.1
111.04472	7.4
117.06972	10.4
119.04926	8.4
119.08582	19.0
121.06506	7.1
121.10138	16.3
123.04468	6.1
123.08064	10.0
123.11717	10.4
127.03913	6.7
127.22758	5.9
128.06247	10.1
129.07039	9.3
131.08598	6.5
133.06462	5.9
133.10138	14.5
135.08095	6.0
135.11732	8.8
137.05972	11.9
137.09656	5.8
137.13219	5.8
139.03906	13.4
141.05492	22.4
143.08575	29.4
145.10144	18.7
147.08107	9.0
147.11679	14.0
149.09583	8.4
151.07576	11.9
153.05499	45.6
155.07059	25.9
155.08397	5.8
155.10678	7.0
157.10158	34.9
159.11696	6.4
161.05954	5.8
161.09607	13.8
163.07600	9.5
167.03421	100.0
167.07040	10.3
171.11723	11.1
173.11765	16.8
181.04961	16.9
183.11761	9.2
185.13271	36.5
191.06932	6.4
195.11655	8.9
201.14909	11.2
203.10683	8.4
207.10104	7.5
213.12802	22.0
231.10164	13.5
231.13805	84.5
249.11240	38.0
263.01880	5.5
273.18484	9.5
285.77032	5.4
291.15903	31.5
291.19458	14.3
309.17120	69.1
309.20633	7.3
309.21912	6.2
309.25302	7.7
327.40179	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	304.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.8
60.40358	0.6
68.05045	3.0
69.72624	2.2
69.73035	1.1
74.43068	0.5
79.05518	0.5
84.04497	1.1
90.85070	0.6
98.21021	1.7
98.23537	0.5
127.03884	0.6
145.07600	1.2
150.91626	0.5
153.01836	0.8
154.02211	1.1
173.07106	2.0
184.08803	0.6
195.09193	1.0
198.07864	1.4
198.10066	0.9
199.08565	0.8
199.11046	1.8
200.11917	0.6
201.10263	1.5
202.02225	0.8
212.08298	0.8
213.10287	4.4
214.09821	0.7
222.10379	0.6
226.09770	9.2
227.10536	44.1
228.11305	11.7
230.01669	0.6
230.05391	0.9
240.11324	41.2
241.11731	0.8
242.09216	1.0
248.02744	0.8
256.10815	100.0
257.11176	1.5
258.01202	1.1
258.04691	0.6
268.10825	33.4
276.02133	0.7
286.00601	1.6
286.11871	83.3
287.12115	1.6
304.01669	7.2
304.05328	12.1
304.12918	41.5
305.06540	0.6
305.13138	0.7
313.47946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.17197	0.3
55.01893	0.3
55.05515	0.6
56.96569	0.3
57.03454	0.7
59.70469	0.3
61.02916	0.9
64.47262	0.3
65.55434	0.3
68.05040	0.4
69.03434	2.4
69.07050	0.3
70.74515	0.5
79.05493	4.6
80.05002	0.8
81.03419	0.9
81.05810	3.1
81.07057	3.5
82.02935	0.7
82.06560	0.7
83.04993	0.3
84.04510	1.1
85.02899	4.5
86.06061	0.5
87.04485	0.4
94.06555	1.2
95.72617	0.3
96.04496	1.2
96.08134	8.3
97.02887	1.3
97.06524	0.4
98.97570	0.4
106.06554	0.7
107.04932	0.4
109.02875	0.4
109.05287	0.5
110.06069	0.4
112.07607	1.0
123.04449	0.7
124.07593	100.0
126.05502	0.5
127.03908	1.4
139.03856	0.5
140.07080	0.5
142.04941	0.5
142.08635	17.1
145.05006	0.3
151.03891	0.4
153.01828	0.7
175.49747	0.3
230.01620	0.4
258.00967	0.7
269.85468	0.3
276.02353	0.6
279.06549	0.3
286.00586	0.7
301.08478	0.4
304.01715	3.9
304.10809	0.6
304.13882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90023	1.5
61.02906	1.9
69.03396	5.2
69.98372	2.7
69.98753	3.3
73.02886	3.2
81.04541	21.3
85.02917	9.6
95.06097	14.3
97.02836	4.8
98.21057	3.7
98.21615	1.7
98.97549	1.9
101.00851	7.5
103.45638	1.6
109.02822	2.2
113.00832	1.9
119.01918	14.2
123.04359	2.3
125.07120	22.4
127.03876	7.9
131.01845	4.6
133.03401	1.9
143.01799	5.7
143.08165	100.0
145.03397	6.6
151.03825	2.3
153.01796	2.3
155.01813	7.8
157.03426	3.8
159.04982	2.5
161.02950	7.9
167.01900	1.9
169.03505	2.5
171.04939	1.8
173.02933	10.2
175.04454	1.8
179.03299	3.0
185.02890	5.3
187.04359	5.5
189.02336	1.8
203.03925	6.5
221.04982	2.5
227.03845	2.1
231.03412	2.4
233.04924	2.0
245.04965	6.2
305.02274	3.6
305.05762	21.3
305.08737	6.5
305.11884	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	305.1747
Annotation	1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
Peak:m/z	Relative Intensity
50.44293	0.1
57.07051	0.6
64.16893	0.1
67.01855	0.4
67.05490	0.3
68.99778	0.4
69.07057	0.2
70.83430	0.3
70.83788	0.2
71.08611	0.2
79.05473	0.3
81.07034	0.6
91.05481	0.4
93.07072	0.2
95.08604	0.4
98.21230	0.2
109.06479	0.2
111.04474	0.2
119.04923	0.5
121.10084	0.2
123.04420	0.9
125.05959	0.2
125.93008	0.1
127.03919	0.2
137.05992	1.7
139.03894	3.5
140.13724	0.2
143.47791	0.1
147.04425	0.3
150.49254	0.1
151.03870	0.3
151.07523	0.2
153.01817	3.1
154.13843	0.1
161.06058	0.2
164.04723	0.3
165.05490	2.2
167.03345	0.1
167.07079	0.2
179.03395	2.1
192.04176	19.1
193.04965	4.8
197.22728	0.1
205.04971	5.3
206.05690	0.4
219.06548	0.5
305.17465	100.0
306.17734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1747
Annotation	CHEBI:81185
Peak:m/z	Relative Intensity
53.03936	1.1
55.01866	2.4
55.05515	4.8
57.03427	1.1
57.07081	0.6
58.88464	0.4
59.44458	0.4
64.18490	0.4
65.03943	1.3
67.05507	19.8
68.99796	0.7
69.03428	1.5
69.07060	2.1
70.90192	0.8
71.04992	1.0
79.05492	6.5
81.03423	0.8
81.07059	30.1
83.01336	2.1
83.04990	3.6
83.08630	0.7
85.06522	0.5
91.05473	4.2
93.07057	3.2
95.04969	1.1
95.08607	4.0
95.83226	0.4
97.02919	0.6
97.06524	1.7
99.08107	0.6
105.07037	4.2
107.04916	0.5
107.08597	1.9
109.06524	2.0
109.10161	1.0
111.04418	1.5
119.08571	2.9
121.06530	0.9
121.10143	5.9
123.04422	1.5
123.08038	0.7
123.11711	6.2
125.02377	0.5
125.05994	2.5
133.06499	1.1
133.10063	0.5
137.05969	7.0
139.03891	0.7
139.11172	1.9
141.04375	0.7
141.05466	12.4
145.10100	0.5
147.11685	7.5
149.06017	0.7
151.03900	1.0
151.07576	3.0
153.05469	52.5
157.10077	0.5
161.05989	1.0
163.07526	1.0
165.01845	0.7
165.05461	2.0
165.09122	1.0
165.12770	4.4
167.03406	100.0
167.07036	3.9
168.03767	0.7
169.04967	1.6
175.11151	0.5
177.05467	4.2
177.09053	0.6
179.07048	7.0
181.05040	0.7
181.08528	0.5
183.02896	0.5
185.04466	0.8
191.07085	2.6
193.04974	0.6
193.08592	3.1
195.06543	7.9
203.06982	0.9
205.08604	1.8
207.06682	0.6
207.10178	8.1
209.08089	1.7
217.08694	2.1
219.10141	0.8
221.11752	5.0
223.09669	1.0
245.11845	0.5
287.16382	6.1
305.17471	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1747
Annotation	CHEBI:81185
Peak:m/z	Relative Intensity
53.03932	0.7
55.01868	2.4
55.05514	3.3
57.03431	0.5
57.07073	0.6
65.03930	1.4
67.01858	1.4
67.05504	25.2
67.39411	0.4
68.99779	1.6
69.03428	1.9
69.07076	3.9
70.14865	0.4
71.04978	0.9
71.49812	0.7
74.11850	0.4
79.05487	4.3
81.07055	26.0
83.04961	1.8
83.08627	0.9
91.05470	2.5
93.07047	4.4
95.04976	1.3
95.08607	25.4
97.02892	1.0
97.06522	1.0
105.07034	1.8
107.08588	1.7
109.06517	1.2
109.10159	1.3
111.00802	1.3
111.04421	0.9
119.04913	0.4
119.08571	1.9
119.14674	0.4
121.10146	1.7
123.04411	1.7
123.08064	0.9
127.03926	3.0
128.38985	0.4
133.10106	1.0
135.11696	4.0
137.05971	2.4
137.13255	4.5
139.03899	32.9
139.11122	1.0
141.69254	0.4
151.03917	1.1
153.01826	100.0
153.05334	3.1
153.12746	3.2
154.02129	0.8
155.03381	0.9
157.10239	0.6
161.13278	4.0
163.03928	4.4
165.05475	6.9
167.03358	0.8
167.07082	0.5
171.02843	0.6
171.11644	0.5
175.14818	0.4
177.05476	1.5
179.03442	1.3
179.07053	0.9
179.14270	3.0
181.04970	3.8
182.43443	0.5
189.05527	0.6
191.07082	0.5
193.04950	0.7
193.08582	3.8
195.06567	1.1
203.07045	1.4
203.14317	0.5
205.08652	0.8
207.10223	0.5
209.08136	0.7
217.08539	0.4
221.07990	0.9
221.11739	1.5
238.30244	0.4
261.65976	0.5
263.12781	0.5
263.16534	0.5
276.04895	0.4
287.16418	4.4
297.12918	0.4
305.17477	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1747
Annotation	CHEBI:81185
Peak:m/z	Relative Intensity
53.03940	2.3
55.01857	3.7
55.05509	9.5
63.22821	1.1
65.03912	1.6
67.05168	1.8
67.05503	27.0
68.99787	1.5
69.03417	4.4
69.07070	6.2
69.64670	7.3
71.04987	2.2
78.80434	1.1
79.05490	10.0
81.03420	1.8
81.07053	33.8
83.00886	1.6
83.01341	18.3
83.04971	6.7
83.08606	1.4
85.02901	1.6
85.06544	2.1
91.05475	13.2
93.07053	14.0
95.04991	5.9
95.08604	42.6
97.06522	4.5
98.21033	3.5
99.08091	2.5
105.07013	8.2
107.04939	2.5
107.07944	1.2
107.08551	6.3
109.06510	12.5
109.10140	5.9
111.04436	2.6
111.08099	2.6
117.07018	3.3
119.08565	9.1
121.06508	2.6
121.10149	3.2
123.04472	2.3
123.08053	4.3
123.11714	1.3
125.05977	9.9
125.09599	1.9
127.03902	5.4
127.07555	17.8
129.06982	1.6
131.08551	2.8
133.06488	2.2
133.10100	6.3
135.08076	5.3
135.11662	2.3
137.05986	2.3
137.09630	5.1
139.03908	2.7
139.07512	5.3
141.06990	1.3
143.08519	1.4
145.06497	2.2
147.08122	1.4
147.11606	1.4
149.05995	6.9
149.09627	2.8
151.03949	3.0
151.07553	14.4
151.11214	1.8
152.04706	4.1
153.01831	5.1
153.05438	6.0
153.09059	1.9
155.07031	4.2
156.09409	1.9
157.10149	3.0
159.08047	1.6
159.11653	1.4
161.09615	7.9
161.10741	1.2
163.07463	5.4
163.11168	1.3
165.09097	4.1
165.12781	2.0
167.03389	3.3
167.07060	11.6
168.07866	1.5
169.08603	36.8
169.10043	2.6
171.11636	2.6
175.07623	3.0
177.05518	5.5
177.09062	5.1
179.03354	3.3
179.07047	2.3
179.10651	2.6
181.04956	16.3
181.08583	8.7
185.09521	1.8
189.09155	3.6
189.12706	2.0
191.07077	4.2
193.08583	5.4
195.06532	89.5
195.10207	3.2
199.11209	3.3
203.10750	1.2
203.14349	1.4
205.08583	3.0
207.06548	1.4
207.10150	4.7
211.09654	6.0
213.07559	31.9
213.09505	2.2
217.08571	1.8
217.12183	1.6
221.11655	1.4
223.09648	21.9
227.10712	3.1
229.08600	1.4
235.13327	2.9
241.16049	1.8
243.10191	3.5
245.11716	8.6
263.12775	4.8
269.15292	4.0
272.14017	2.5
283.45456	1.3
287.13104	2.5
287.16425	29.2
287.19812	1.6
287.23550	1.4
289.21417	1.4
294.23129	1.2
305.05966	3.0
305.14050	4.6
305.17459	100.0
306.17654	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1747
Annotation	CHEBI:81185
Peak:m/z	Relative Intensity
53.03939	0.9
55.01875	2.0
55.05513	3.4
57.03429	0.7
57.07070	0.6
63.08603	0.4
63.45488	0.4
65.03934	1.2
67.05505	16.6
68.99777	0.5
69.03433	1.2
69.07066	2.4
71.04990	0.6
78.97926	0.5
79.05495	6.0
81.03387	0.5
81.07057	25.9
83.01329	1.8
83.04980	3.7
83.08616	1.2
91.05475	3.5
93.03382	0.4
93.07047	3.3
95.04984	1.0
95.08604	3.6
97.06528	1.3
98.20850	2.1
98.21539	0.8
99.25709	0.5
103.05439	0.4
105.07024	4.3
107.04972	0.8
107.08604	1.7
109.02802	0.5
109.06526	1.1
109.10177	0.9
111.04438	0.9
119.08592	3.6
121.10152	4.9
123.04411	1.0
123.08055	0.7
123.11713	5.5
123.54655	0.4
125.02367	0.7
125.05994	2.4
125.09634	0.4
127.03931	0.5
133.06485	0.8
137.05986	5.8
137.13232	0.4
139.07564	0.4
139.11166	1.7
141.05470	10.1
147.11685	7.2
151.03896	0.5
151.07555	2.4
153.05469	48.1
154.05795	0.4
161.05994	0.8
163.07510	0.9
165.01855	1.2
165.05492	1.8
165.09193	0.7
165.12770	4.6
167.03400	100.0
167.07027	3.0
168.03790	0.8
169.04968	1.6
177.05466	3.6
179.07047	7.0
181.05019	0.7
181.08595	0.6
183.06627	0.7
185.04497	0.6
185.90369	0.4
191.07005	2.2
193.04997	0.5
193.08597	3.2
195.06548	5.0
203.07211	0.7
205.08565	1.8
207.06555	0.5
207.10187	6.8
209.08156	1.6
216.53819	0.5
217.08620	2.1
221.11746	4.3
223.09578	0.6
229.72864	0.4
229.75351	0.4
231.10294	0.4
287.16425	6.4
305.17459	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.2
53.03937	1.2
55.01878	3.0
55.05514	3.3
57.03429	0.8
57.07053	0.4
61.26291	0.2
65.03940	1.3
67.05508	19.1
68.99789	2.7
69.03419	0.7
69.07072	2.3
71.01331	0.3
71.02661	0.6
71.04985	1.0
74.68392	0.2
79.05057	0.5
79.05495	8.2
81.03408	0.9
81.07059	28.3
83.01363	0.2
83.04975	1.4
83.08606	0.5
91.05485	4.1
93.03410	0.4
93.07050	5.0
94.04195	0.3
95.04973	4.1
95.08611	4.7
95.87910	0.2
97.02907	0.5
97.06529	1.3
99.04452	0.8
99.08080	0.6
103.05492	0.4
105.07034	4.9
105.33318	0.3
107.04936	1.4
107.08580	2.2
109.06531	1.6
109.10161	0.7
110.03616	0.3
111.04414	1.0
117.07010	0.5
119.04934	1.2
119.08586	3.1
121.06483	0.5
121.10142	5.2
123.04430	5.6
123.08046	0.5
123.11714	5.0
124.01570	1.9
125.05988	1.2
125.09629	0.4
127.03895	1.1
131.08565	0.5
133.06535	0.4
133.10100	0.4
135.07980	0.5
135.11703	0.5
137.02261	0.4
137.05989	7.1
137.13274	0.6
139.03914	3.3
139.07440	0.4
139.11143	1.3
141.05467	12.7
145.10191	0.4
147.04408	0.9
147.07991	0.3
147.11700	6.8
149.05995	0.6
149.09564	0.3
151.03896	1.1
151.07535	2.6
152.01071	2.5
153.05470	54.2
154.05800	0.6
161.05962	0.4
162.03110	0.6
163.03935	0.5
163.07587	0.6
163.11172	0.4
164.04642	0.8
165.05498	1.6
165.09160	0.5
165.12746	4.5
167.03404	100.0
167.07045	4.5
168.03720	0.8
169.04950	2.2
170.02116	3.1
175.07574	0.4
177.05475	4.4
179.03531	0.4
179.07040	9.6
181.04973	0.7
181.08611	0.5
183.06581	0.4
191.07085	1.8
193.08582	1.7
195.06535	6.4
196.27684	0.2
203.07011	0.6
205.08543	1.6
207.10187	10.1
209.08090	0.9
217.08633	1.1
217.12267	0.3
219.10208	0.3
221.08194	0.3
221.11731	4.2
223.09695	0.6
227.10672	0.5
231.10182	0.7
235.09579	0.5
245.11620	0.4
259.13367	0.5
263.12772	0.4
287.13507	0.5
287.16388	3.8
302.56555	0.3
305.05893	0.4
305.14386	0.5
305.17508	13.4
305.21069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.12005	1.1
50.48132	1.0
51.02365	1.2
53.03940	4.9
53.10920	1.2
55.01879	9.4
55.05261	1.5
55.05513	24.5
56.66022	1.1
56.87297	1.2
57.03424	4.0
57.07079	13.7
58.06596	1.9
59.05008	2.5
61.86760	1.0
65.03937	2.3
66.04686	1.3
66.82780	1.1
67.05509	35.1
68.99779	2.4
69.03431	14.4
69.07070	45.4
70.06250	1.5
70.06599	22.0
71.01344	1.6
71.05004	10.5
71.08613	6.2
71.56979	1.3
72.08154	1.9
74.06075	1.5
77.03929	1.1
79.05055	2.1
79.05498	36.3
81.03423	17.3
81.07060	72.7
83.04986	12.0
83.08624	13.8
84.08138	1.8
85.02924	3.3
85.06541	5.0
86.09695	2.9
88.07641	11.6
91.05488	36.5
93.07050	66.3
95.01332	13.0
95.04974	20.9
95.08613	73.3
97.02888	6.3
97.06539	10.3
97.10159	5.0
99.04453	3.3
99.08089	3.6
100.38931	1.2
102.09179	5.3
103.05426	1.9
105.04568	1.4
105.06381	2.5
105.07037	38.6
106.27356	1.1
107.04973	7.0
107.08594	36.3
109.02876	12.9
109.06512	13.6
109.10164	29.1
111.04440	3.7
111.08102	6.8
111.11721	5.2
113.09653	1.8
115.05418	3.0
117.07037	12.7
119.04925	3.2
119.08585	29.7
121.06520	11.9
121.10152	40.7
123.04456	8.6
123.08070	9.8
123.11713	17.8
125.02333	1.3
125.05988	2.3
125.09616	5.7
127.03922	21.6
127.07543	1.2
128.06209	3.9
129.07025	7.4
131.04936	2.5
131.08582	16.5
132.10213	9.4
133.06491	8.9
133.10129	24.3
135.04466	2.4
135.08060	10.7
135.11684	15.6
136.07516	1.3
137.05948	4.1
137.09616	8.3
137.13289	6.2
139.03897	4.4
139.07530	1.4
139.11160	11.7
141.06989	2.9
142.07788	2.9
143.08543	9.5
145.06534	6.1
145.10129	16.2
145.11171	2.3
146.11769	6.8
147.04414	2.5
147.08055	9.3
147.11693	12.1
149.02353	3.5
149.05978	8.4
149.09619	9.9
149.13249	11.7
151.03981	6.1
151.07567	5.6
151.11183	4.4
151.14871	1.6
153.01874	12.0
153.05389	2.1
153.12746	4.2
155.08577	3.1
156.09326	1.5
156.17497	3.9
157.06499	2.5
157.10121	10.0
159.08112	6.7
159.11696	10.2
161.05992	5.5
161.09618	9.6
161.13246	8.7
163.07542	10.6
163.11195	3.9
163.14796	4.4
165.05522	6.9
165.06805	1.8
165.09084	1.8
165.12733	3.9
167.03328	1.4
167.08574	2.0
167.10709	19.8
169.10083	2.9
171.08029	5.7
171.11731	6.0
173.09660	6.6
173.13280	8.1
175.07587	5.2
175.11142	4.5
175.14813	5.5
177.09085	4.0
177.12761	4.4
177.16389	3.0
179.03419	5.2
179.10706	5.8
179.14311	4.2
181.10210	1.6
183.08049	1.5
183.11661	2.1
185.05899	1.6
185.09584	3.4
185.13284	3.8
187.11206	3.3
187.14813	2.7
189.09134	3.8
189.12766	4.4
189.16356	3.8
190.72548	1.3
191.10840	1.5
191.14305	1.8
191.17937	2.1
193.15895	4.6
195.02852	1.3
195.11850	1.8
195.13745	1.9
197.13182	1.4
199.11168	2.8
199.14819	2.9
200.20097	19.0
200.21765	2.1
201.12788	1.5
201.16374	4.2
203.10687	2.9
203.14319	2.2
203.17967	3.0
205.15883	1.8
207.13815	2.2
207.17503	2.0
213.16423	3.2
217.12189	1.8
217.15833	1.5
219.17487	1.5
227.10645	1.8
227.14264	1.6
231.06473	2.5
231.17442	2.2
233.15392	1.6
234.06735	1.7
235.17072	1.4
241.15912	2.5
244.22731	37.7
245.11844	2.4
245.15320	2.7
259.05920	2.8
259.16974	6.0
259.24112	2.0
261.14685	1.6
261.22000	2.4
263.12848	4.4
263.16364	1.4
269.15356	5.4
269.22491	5.9
273.09048	1.6
277.15155	1.2
277.18021	4.6
287.05325	1.9
287.16434	24.5
287.19556	2.2
287.23648	12.0
288.25531	1.8
305.05289	9.7
305.13898	3.9
305.17453	66.8
305.24747	52.0
306.26401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50562	1.4
65.75551	1.4
66.94558	1.6
67.05501	2.9
69.03433	1.5
69.07043	1.6
70.06574	2.1
70.25263	5.6
70.25648	2.9
74.06087	10.5
74.77164	1.3
81.03415	2.1
85.02895	4.8
88.99097	1.4
95.04961	6.2
95.15491	1.4
97.06532	6.4
98.21288	2.8
99.79067	1.7
107.04948	2.5
111.04473	1.8
112.62214	1.5
115.05440	1.5
116.07126	3.7
117.03352	2.0
119.04919	2.1
120.06593	2.1
123.04438	100.0
126.01086	7.8
127.03910	5.6
130.06532	15.6
132.04402	2.7
135.04419	6.1
137.05949	4.3
139.02921	2.3
139.03912	29.2
144.02124	5.8
144.06522	2.7
151.03909	7.4
155.03401	3.0
157.07646	11.5
158.06023	14.6
159.04364	2.1
163.03926	17.1
175.08673	4.7
177.05420	2.0
187.03850	1.6
205.04967	3.3
225.05476	2.0
230.16351	1.7
243.06631	1.9
251.71548	1.5
260.06155	2.3
261.08572	2.9
271.06073	1.9
288.06012	2.2
289.07028	21.7
306.06683	2.2
306.16214	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	306.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01879	0.6
55.05518	0.4
57.03451	1.5
58.99583	0.9
61.02932	1.6
65.03943	2.4
68.05024	2.3
69.03436	6.0
71.05009	0.6
71.56384	0.3
71.56806	0.5
73.02915	1.5
74.06087	1.5
81.03423	2.1
84.04533	0.5
84.08145	0.6
85.01158	2.8
85.02907	14.5
87.04489	1.0
91.03973	0.8
97.02896	3.1
98.00650	2.5
98.21187	0.5
99.02690	4.4
99.04466	1.1
101.02434	0.4
102.05560	0.4
103.03936	0.7
109.02879	1.4
112.02203	0.4
113.02966	3.0
116.07062	0.5
126.03748	27.2
127.03886	2.2
127.04544	2.8
130.04996	0.4
139.03897	2.4
140.04245	0.6
144.04790	100.0
145.04982	2.3
177.03339	0.6
186.05824	2.9
194.95535	0.4
204.78105	0.3
205.67120	0.5
226.20117	0.3
288.08905	0.4
302.36646	0.3
306.10059	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99759	0.3
55.05504	0.5
69.07058	1.6
76.02141	0.4
79.05480	0.7
81.07042	1.0
91.05486	0.6
93.07021	0.5
94.04191	2.5
97.06506	0.5
98.21320	2.0
107.08570	0.5
114.09148	0.4
122.03647	7.0
126.09135	0.7
133.10103	1.1
135.11697	1.3
136.72273	0.3
137.05977	100.0
138.06287	0.4
142.62585	0.3
151.11194	0.5
153.12730	0.8
162.88347	0.4
170.15417	2.8
182.15382	3.1
198.92691	0.3
209.29228	0.3
277.02069	0.4
306.20657	1.2
312.09726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75025	1.2
56.96291	1.4
56.96565	24.1
62.90410	1.3
69.03423	1.6
70.80872	3.2
74.96893	1.1
75.87592	1.3
76.39581	1.3
83.04949	1.7
84.96040	11.1
85.02899	4.6
97.02870	3.7
98.20798	1.6
98.97585	96.7
101.00864	2.8
110.97571	22.5
112.99117	3.5
116.98623	33.0
119.01878	6.4
124.99083	3.2
127.03909	1.9
128.98616	23.9
131.00143	3.5
133.03447	2.1
134.99675	5.9
139.03915	18.4
140.98582	6.4
143.00157	13.2
143.01842	2.4
144.98079	4.2
145.01685	2.0
146.99728	7.0
152.98618	14.8
155.00204	1.4
157.03459	1.6
158.99648	13.7
161.01239	8.3
161.02957	3.7
162.72374	1.3
162.99117	2.9
163.02740	1.7
170.99641	13.2
173.01306	1.6
177.00735	8.7
187.00833	1.7
187.02716	1.3
189.00699	4.6
191.02277	1.7
201.00705	3.7
205.03792	1.6
219.01773	22.3
237.02817	36.7
247.04895	10.5
255.03902	2.5
265.05960	100.0
283.07001	19.3
288.07559	2.6
306.59369	1.3
307.06985	59.4
325.08118	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34358	4.9
51.20037	6.3
62.90963	5.3
70.17641	23.3
98.21131	14.8
128.60840	5.8
155.01974	6.7
210.53787	5.5
216.28354	6.1
217.24347	5.5
307.07578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0806
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00297	0.6
55.01868	0.9
56.96557	0.9
57.03429	0.4
61.02908	0.3
65.03930	0.8
67.05493	0.7
68.99780	0.9
69.03427	0.8
70.39968	0.5
70.40317	1.0
73.02922	0.5
81.03394	0.6
83.04980	1.1
85.02913	0.7
88.86911	0.3
93.03421	1.0
95.04973	1.0
97.02901	0.8
98.20929	0.7
98.21458	0.4
98.53831	0.4
98.97562	0.8
101.00880	2.2
101.95621	0.3
107.04942	1.3
109.02872	0.3
111.04465	1.7
111.16628	0.4
116.98650	0.4
119.01925	4.1
121.02850	0.9
123.04421	1.0
127.03906	1.2
129.04010	0.4
131.01904	1.1
131.04918	1.3
133.02718	0.7
133.03558	0.9
135.04448	2.9
136.82123	0.4
137.02925	0.4
139.03902	100.0
140.04227	0.9
143.01913	1.0
145.03458	0.6
149.05991	0.8
151.03880	3.6
153.01854	1.0
153.05411	1.0
155.01904	1.7
157.03470	0.4
158.99715	0.4
159.04366	2.7
161.02960	1.7
163.02586	0.8
163.03896	9.3
167.06985	0.6
168.99809	0.7
169.03648	0.4
169.04990	1.6
173.03029	2.2
177.02396	0.5
177.05469	2.7
181.04970	5.0
185.02974	0.6
186.07574	0.4
187.00923	1.1
195.06541	2.1
201.02498	0.6
203.04044	0.7
205.01994	0.7
205.05136	1.1
215.00388	1.2
217.05646	0.8
219.03513	0.4
221.05077	0.8
223.06113	1.8
229.01942	0.9
239.05991	0.4
245.05191	0.5
247.03026	1.8
247.06151	0.3
289.04120	0.4
289.07205	0.8
307.08157	3.1
308.08847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00307	0.7
55.01865	0.7
60.99110	0.2
65.03942	1.3
67.05500	0.9
68.99798	1.2
69.03398	0.3
71.48412	0.4
73.82114	0.2
81.03435	0.3
83.04976	0.7
86.89132	0.2
93.03417	0.7
95.04964	1.5
97.02907	0.6
107.04972	1.7
111.04429	1.6
114.98895	0.2
117.03434	0.3
121.02853	0.6
123.04418	1.4
127.03915	0.9
131.04912	1.0
133.02866	1.3
135.04424	3.3
139.03908	100.0
140.04245	0.7
145.02881	0.5
149.06009	0.8
150.38110	0.3
151.03941	3.7
153.01857	0.5
153.05490	0.8
158.25850	0.2
159.04420	3.0
163.03911	9.7
165.05597	0.4
165.81947	0.2
167.07097	0.4
169.04935	2.0
177.05490	2.9
181.04961	5.6
195.06554	2.6
205.05000	1.1
223.06081	1.4
229.04889	0.3
247.06133	0.5
265.07193	0.3
285.09613	0.3
289.06995	0.6
307.08148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55245	2.0
55.05508	11.6
57.03429	3.5
59.05005	17.7
67.05499	4.7
68.99807	2.5
69.03436	23.0
69.78555	10.5
71.04980	5.9
73.02929	14.8
73.06562	86.4
74.06081	4.5
79.05495	4.8
81.03399	11.1
81.07070	2.6
83.05000	5.2
84.04504	3.6
84.08152	3.4
85.02424	2.9
85.02912	44.1
85.06557	4.0
87.04466	7.7
89.06024	8.7
91.05499	3.9
93.07069	3.2
94.19841	2.0
95.04972	3.7
97.02873	13.5
98.20891	5.8
99.04443	7.1
103.03932	4.7
107.04954	4.5
107.08575	3.4
108.04461	3.4
109.02892	10.1
109.06524	3.5
111.04454	4.9
113.20958	2.2
117.07001	3.7
119.04940	9.8
119.08572	4.9
121.02874	9.2
123.02698	2.7
123.04428	6.0
126.09160	6.6
127.03916	23.6
129.05460	6.3
130.06549	11.9
131.08574	4.0
132.04494	3.2
137.05975	3.7
139.03909	100.0
140.07088	4.5
140.65996	2.3
143.08708	2.4
143.11780	2.7
145.04964	5.8
146.06030	5.1
147.04419	26.1
147.08107	2.8
151.03880	3.4
155.03432	6.5
157.07617	12.1
158.06009	12.1
163.03879	11.9
168.06555	3.1
173.09755	2.7
175.08708	5.0
177.05504	5.2
181.05034	4.8
183.11774	2.8
201.12720	4.5
204.10204	10.3
229.12274	7.6
233.00705	2.2
243.07709	2.5
243.16982	2.5
246.22124	2.2
261.08826	4.3
271.11035	3.3
289.03735	2.9
289.11890	7.7
307.09418	3.4
307.12607	12.7
307.15723	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01874	0.8
55.05515	3.3
57.03424	0.3
57.07071	1.1
59.05002	0.4
61.42681	0.2
65.03927	0.2
67.01873	1.3
67.05504	2.1
68.99770	1.0
69.03429	1.3
69.07066	2.5
71.04982	0.5
71.08625	0.3
75.76025	0.2
76.85837	0.2
79.05497	1.4
81.03412	0.4
81.07062	3.8
83.01325	0.4
83.04979	1.0
83.08615	2.6
85.02912	0.2
85.06532	0.5
87.16910	0.2
91.05472	0.7
91.70760	0.2
93.07041	1.4
95.04951	0.3
95.08614	3.0
97.02885	0.7
97.06519	1.0
97.10169	1.5
98.21126	1.7
105.07020	0.6
107.04922	0.3
107.08590	1.7
109.06499	0.3
109.10150	1.2
111.00791	0.7
111.04430	0.8
111.08059	0.4
119.04945	0.4
119.08574	0.8
121.02907	0.2
121.06499	0.2
121.10156	1.5
123.04425	0.7
123.11716	0.4
125.05986	0.5
125.09643	0.2
127.03924	2.6
131.08597	0.4
135.11696	0.6
137.05971	1.6
137.13208	0.3
138.06352	0.3
139.03909	8.8
141.05481	0.4
145.10132	0.3
147.04495	0.2
149.06010	0.2
149.13245	0.5
151.03885	0.2
153.01830	100.0
154.02179	0.7
155.03397	1.8
163.03922	0.7
163.14862	1.6
165.05531	1.5
167.03397	5.0
167.07132	0.3
169.04976	0.5
171.02914	0.5
173.13196	0.2
177.05449	0.9
179.06998	0.3
181.04967	4.6
181.15862	0.7
191.07036	0.7
193.08633	1.1
195.06538	0.9
205.08658	0.4
209.08139	0.3
215.18044	0.2
229.12125	0.2
289.18005	1.2
289.20779	0.2
307.19028	20.6
307.26334	0.6
308.19418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Corrin
Peak:m/z	Relative Intensity
53.71196	0.2
55.01873	0.7
55.05511	2.9
56.39171	0.2
57.03423	0.3
57.07084	1.3
67.01862	1.1
67.05508	1.7
68.99789	1.0
69.03425	1.5
69.07067	2.2
69.80935	0.9
71.04979	0.6
71.08615	0.4
79.05502	1.0
81.03420	0.3
81.07059	3.2
83.01359	0.3
83.04977	1.0
83.08621	2.7
85.02914	0.2
85.06528	0.4
91.05496	0.4
93.07059	1.6
95.04997	0.2
95.08611	2.8
97.02878	0.5
97.06540	0.6
97.10178	1.4
98.20834	0.4
98.21443	0.4
101.83565	0.2
102.94961	0.2
105.07016	0.4
106.06572	0.2
107.08599	1.3
109.06516	0.4
109.10158	1.1
111.00814	0.7
111.04440	0.5
111.08140	0.3
121.02853	0.2
121.10154	1.3
123.04446	0.7
123.11719	0.5
125.05977	0.4
127.03926	2.1
131.08556	0.2
135.08147	0.2
135.11728	0.5
137.05980	1.0
139.03908	7.4
139.76295	0.2
141.05528	0.3
149.05971	0.5
149.13226	0.2
151.03874	0.3
151.07472	0.2
153.01831	100.0
154.02184	0.7
155.03404	1.1
163.03941	0.6
163.14857	1.7
165.05486	1.2
167.03406	5.0
169.04967	0.4
171.02881	0.6
177.05489	1.0
179.07100	0.3
181.04944	4.2
181.15897	0.7
183.11644	0.3
191.07100	0.4
193.08592	1.3
195.06589	1.0
205.08571	0.4
209.08182	0.2
289.17957	1.0
307.15628	1.1
307.19028	21.3
308.19400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05512	2.1
57.03414	0.3
57.07064	0.9
60.91468	0.2
67.01875	1.5
67.05504	1.3
68.99792	0.9
69.03428	1.3
69.07069	1.8
70.60929	0.4
70.61314	0.5
71.08620	0.2
79.05503	0.8
81.03420	0.3
81.07065	2.3
83.01351	0.3
83.04979	0.3
83.08621	2.6
85.06545	0.3
91.05482	0.3
93.07056	0.9
95.04995	0.2
95.08619	1.6
97.02919	0.5
97.06543	0.4
97.10182	1.2
101.32651	0.2
102.18707	0.2
107.04981	0.2
107.08610	1.0
109.06468	0.3
109.10211	0.6
111.00803	0.6
111.04425	0.6
111.08086	0.2
111.32787	0.2
119.08569	0.4
121.10150	1.0
123.04408	0.5
125.02275	0.2
127.03918	2.0
132.74384	0.2
135.11636	0.3
137.05972	0.7
137.13280	0.3
139.03906	7.3
147.04645	0.2
149.05937	0.3
151.03966	0.3
153.01833	100.0
154.02122	0.6
155.03407	1.2
163.03935	0.6
163.14810	1.7
165.05521	1.2
167.03412	1.1
167.07051	0.2
171.02890	0.7
177.05467	0.6
181.04970	3.3
181.15862	0.5
191.07057	0.6
193.08612	1.0
195.06514	0.8
204.54889	0.2
205.08719	0.3
209.08295	0.2
289.18158	1.2
289.21118	0.2
307.15952	0.8
307.19028	22.6
308.19287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03941	2.8
55.01852	2.4
55.05511	34.0
57.07086	10.5
59.05048	2.0
59.97236	1.8
65.03924	2.5
67.05511	34.5
69.03407	3.2
69.07072	51.7
71.04997	34.4
71.08642	2.9
71.30992	3.3
71.68952	2.0
77.03875	2.7
77.07954	1.9
79.05492	22.2
81.07062	100.0
81.54741	2.2
83.04991	13.4
83.08620	18.2
85.06562	5.4
87.08092	2.4
91.05467	14.3
93.07048	61.3
95.04975	6.4
95.08611	78.6
97.06544	15.9
97.10175	8.6
98.21178	3.2
99.08094	8.8
105.07047	20.5
107.08598	53.3
109.06548	5.2
109.10156	59.9
111.08066	9.6
111.11734	5.0
113.09601	2.6
117.07080	3.2
119.08615	16.7
121.10149	43.6
123.10828	2.2
123.11711	39.4
125.09640	6.4
125.13239	2.2
127.11190	8.2
131.08575	6.5
133.10117	11.6
135.11711	28.6
137.09647	3.8
137.13263	19.0
139.11174	5.0
141.12772	3.2
145.10144	11.5
147.10683	2.0
147.11649	12.4
149.13268	46.0
151.11215	2.5
151.14789	2.1
153.12740	7.2
159.11713	6.6
161.13286	9.9
163.11229	5.0
163.14818	7.0
165.12834	3.8
173.13252	3.5
175.14810	4.6
177.16409	8.7
179.18057	2.4
181.12308	2.2
187.14862	6.9
189.16376	5.7
191.17964	3.9
195.17435	2.4
201.16501	2.6
203.17949	10.8
213.18390	2.8
215.17978	4.8
219.08006	2.3
229.12280	2.3
245.22847	2.4
271.24045	4.9
289.25217	15.4
292.07425	1.9
307.09665	6.4
307.15317	9.4
307.18863	1.9
307.26312	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.19913	1.3
53.03945	2.6
53.18927	1.1
55.01869	3.8
55.05516	19.7
57.03440	1.6
57.07075	8.6
59.04996	1.8
67.05508	31.5
69.03438	5.4
69.07076	44.5
69.07456	2.2
71.04993	9.4
71.16029	1.5
71.16379	2.8
73.06563	1.3
79.05500	17.2
81.03429	5.1
81.07063	100.0
83.04987	7.9
83.08624	10.5
85.06543	9.5
88.48927	1.3
91.05490	11.3
93.07054	46.1
95.04990	9.5
95.08615	66.6
97.06546	9.9
97.10168	5.7
99.08105	4.1
101.06033	1.3
105.07035	18.5
107.08610	42.8
109.06519	5.9
109.10162	44.0
111.08086	14.9
111.11715	8.9
111.95776	1.3
113.09669	1.4
117.07037	2.1
119.08591	14.5
121.06531	2.1
121.10146	26.3
123.08102	2.8
123.11720	31.8
125.09669	5.2
127.11243	2.7
131.08591	5.2
133.10127	16.4
135.08090	3.1
135.11725	18.6
137.05984	1.7
137.09686	1.9
137.13257	16.1
139.03943	3.9
139.11195	8.1
141.12741	1.7
145.10120	6.9
147.11687	9.5
149.13281	21.1
151.11212	18.8
151.14845	1.8
153.12767	6.8
159.11761	5.6
161.13231	6.9
163.03937	2.2
163.14780	6.6
165.12860	3.2
169.12241	3.2
173.13385	3.0
175.14882	3.7
177.12854	1.5
177.16437	5.0
183.11781	3.0
187.14890	3.1
189.16368	2.8
191.18018	2.8
193.15999	1.3
201.16383	1.9
203.18066	3.5
207.17448	1.5
215.17999	2.7
219.08040	2.0
233.18945	1.4
245.22725	2.7
246.06737	1.4
247.07549	2.8
249.05573	2.0
263.07278	1.4
264.07919	5.0
271.24286	4.8
273.17072	1.4
273.20236	1.5
277.25601	1.8
279.10266	3.1
289.18146	1.5
289.25287	10.2
292.07254	3.3
307.09714	16.8
307.15570	5.7
307.26474	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62342	0.3
53.03940	1.5
55.01857	1.1
55.05513	4.0
57.03415	1.3
57.07076	4.1
59.04989	0.9
65.03931	1.0
66.44297	0.3
66.97444	0.3
67.05506	7.0
69.03432	4.7
69.07069	10.0
71.01340	0.3
71.04977	1.4
71.08643	1.6
71.56995	0.5
78.31367	0.3
79.05495	3.5
81.03419	10.1
81.07062	15.1
83.04984	1.0
83.08614	4.6
85.02901	4.2
85.06544	2.1
85.10168	0.5
91.05482	12.8
93.07043	6.7
94.09178	0.3
95.04969	2.1
95.08608	16.5
97.02881	1.2
97.06531	1.4
97.10164	2.6
99.04459	0.9
99.08096	0.8
105.07030	3.9
107.08597	5.6
109.02888	3.8
109.06509	1.3
109.09459	0.5
109.10159	7.4
111.08087	3.9
111.11706	1.6
113.06030	0.6
115.07599	0.4
117.06987	0.5
119.04951	24.8
119.08584	2.7
120.41459	0.3
121.06540	0.5
121.10146	4.7
123.04411	0.8
123.08050	0.8
123.11713	5.4
125.09619	0.9
125.13268	0.7
127.03920	1.3
131.08585	0.6
133.10144	1.9
135.08121	0.5
135.11691	3.0
137.09598	1.3
137.13277	2.1
139.03902	0.5
139.11188	0.9
139.95552	0.3
143.08554	0.4
145.10150	0.9
147.04411	100.0
147.11670	2.1
148.04797	0.5
149.09674	0.5
149.13242	2.8
151.11195	0.9
151.14900	0.7
153.01744	0.4
153.12755	0.9
155.10707	0.5
157.10124	0.6
159.11647	0.7
161.13268	1.7
163.11221	0.7
163.14851	1.6
165.05504	3.5
165.12772	1.0
167.14301	0.5
175.14798	0.6
177.16397	0.9
179.14204	0.4
179.17960	0.4
185.13280	0.8
189.16415	0.4
191.17865	0.4
199.95502	0.4
203.17941	0.5
206.07353	0.4
207.33633	0.3
213.12714	0.6
217.19606	0.6
219.08005	0.4
223.07602	0.3
228.60800	0.4
231.13763	2.2
234.06827	0.7
235.13287	0.7
249.09306	0.6
251.06985	0.4
273.25671	2.0
277.08612	1.0
281.11707	1.0
291.08624	7.8
291.26807	2.3
309.11417	2.0
309.17273	0.5
309.22235	0.4
309.27963	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.73170	0.3
55.01875	0.5
55.05520	1.3
57.03434	0.6
57.07066	0.7
59.04989	1.0
59.19392	0.2
65.03941	0.5
67.05508	2.5
69.03426	1.7
69.07075	3.4
69.68157	0.7
69.68566	0.7
71.04986	0.8
73.02911	0.5
79.05484	1.3
81.03423	3.4
81.07063	5.7
82.07390	0.3
83.04965	0.3
83.08609	1.3
85.02906	1.4
85.06531	2.0
91.05484	10.8
91.88588	0.2
93.07048	2.3
95.08609	5.0
97.02900	0.4
97.06502	0.6
97.10174	0.6
98.21042	0.7
99.04463	0.7
99.08081	0.7
101.06004	0.3
105.07021	1.0
107.04966	0.3
107.08588	2.3
109.02899	1.5
109.10166	4.1
111.08078	0.8
119.04945	25.2
119.08580	1.3
120.05299	0.2
121.10134	1.4
123.04451	0.3
123.11726	1.9
125.09602	0.5
127.03959	0.6
133.10130	0.8
135.08049	0.4
135.11685	1.1
137.05977	0.3
137.09601	0.5
137.13271	0.9
139.11163	0.4
147.04413	100.0
148.04712	0.5
149.13268	1.0
153.01852	0.3
153.12691	0.3
161.13271	0.4
163.14854	0.5
165.05502	0.8
165.09135	0.4
175.14806	0.3
177.16504	0.3
185.13329	0.5
195.11569	0.3
205.19533	0.2
206.07188	0.4
213.12860	0.4
231.13814	1.7
234.06847	0.5
249.09233	0.9
251.07013	0.4
266.09106	0.2
277.08752	1.2
279.06494	0.4
281.11914	0.3
291.08575	2.8
291.19708	0.5
291.26746	0.6
294.08929	0.9
300.16415	0.2
309.11151	2.6
309.27618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
57.55826	0.4
68.99784	0.6
69.50787	1.7
69.51212	1.6
81.03393	0.8
81.45799	0.4
83.04958	2.0
85.02885	1.4
91.05474	0.8
98.20796	0.9
101.79757	0.4
105.07034	0.5
119.04930	0.7
124.01458	0.4
147.04420	4.0
152.01041	1.3
153.01860	1.1
167.03401	29.1
168.03644	0.5
169.04959	0.6
170.02078	0.5
177.05457	1.0
192.04184	4.4
203.07054	2.6
204.40041	0.5
205.04958	3.5
206.05750	10.8
207.06543	1.2
213.05472	1.0
215.07005	1.8
216.04210	1.9
217.04944	2.4
219.06488	0.8
229.04880	1.0
230.05772	0.5
231.04308	0.9
231.06509	12.4
232.07297	3.5
234.05276	5.3
245.07935	0.7
247.09593	1.9
249.07590	54.8
250.07869	0.7
258.05341	0.6
263.08112	0.6
264.98450	0.5
273.07422	0.5
276.06329	1.8
291.08609	8.9
309.09677	100.0
310.10117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01860	0.7
55.05515	1.6
57.03452	1.4
57.07062	1.0
59.04983	0.4
61.02922	0.4
61.46530	0.2
65.03934	1.0
67.05508	2.4
69.03431	4.8
69.06714	0.4
69.07068	5.2
70.72928	0.7
71.04985	0.9
73.02911	0.6
73.06578	0.4
77.27918	0.2
79.05482	1.1
81.03418	12.3
81.07058	5.6
82.07368	0.3
83.04971	0.5
83.08624	1.8
85.02402	0.5
85.02897	4.7
85.06543	1.3
89.85767	0.2
91.05480	12.1
93.07040	2.3
94.21685	0.2
95.05003	0.4
95.08611	5.4
97.02882	1.5
97.06530	0.8
97.10158	0.4
98.20798	0.2
98.21329	0.3
99.04445	1.4
99.08092	0.5
99.87788	0.2
105.07018	0.7
107.04952	0.3
107.08583	2.4
109.02872	4.6
109.06535	0.3
109.10155	2.4
111.08046	1.1
111.11736	1.2
119.04945	27.1
119.08546	1.0
121.10125	1.2
123.08104	0.3
123.11710	2.8
127.03893	1.2
131.08521	0.3
133.10208	0.5
135.11710	1.0
137.09669	0.3
137.13225	0.7
147.04410	100.0
148.04753	0.7
148.05832	0.2
149.09628	0.3
149.13258	1.3
153.12740	0.7
157.10143	0.4
159.11688	0.3
161.09726	0.3
161.13268	0.2
163.14787	0.4
163.77792	0.2
165.05496	4.1
167.14345	0.4
177.16495	0.2
185.13260	0.5
231.13756	0.9
247.93732	0.2
249.07361	0.3
269.13849	0.2
277.08749	0.6
281.11768	0.5
291.08621	10.8
291.11969	0.5
291.26807	0.5
294.08755	0.4
309.10355	0.9
309.27783	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	996.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
75.62997	75.5
83.16598	83.5
125.02451	98.9
209.11877	92.1
214.81194	81.0
275.81732	90.1
299.99136	91.9
329.43707	90.1
390.88446	99.3
397.13248	84.3
429.14160	93.8
549.77802	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	998.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55949	49.6
69.56359	100.0
83.08785	18.1
98.57574	21.6
295.70245	19.5
447.46951	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61324	0.4
83.01373	0.5
83.87875	0.3
96.96022	3.3
107.01415	1.4
108.02184	1.0
125.02424	0.4
135.00890	0.6
148.01634	1.0
151.00380	4.1
163.00424	0.7
164.01147	0.5
169.01439	0.3
178.99860	3.3
199.03767	0.3
203.37703	0.3
209.11836	0.3
215.03520	0.6
226.02756	1.1
227.03523	1.5
227.12862	0.4
228.04074	0.3
243.02983	6.9
244.03401	0.6
245.08710	0.4
254.02220	1.5
255.02998	19.2
256.03448	1.5
271.02478	40.5
272.02939	3.6
273.03561	0.5
287.13242	0.3
299.01993	1.1
300.02753	88.0
300.99911	0.6
301.03293	10.2
307.08603	2.2
367.04532	0.4
415.06934	0.4
433.08157	3.9
565.11993	100.0
566.12329	11.4
735.52399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20203	1.1
73.20961	0.3
79.95741	17.5
80.96484	0.6
95.95240	7.8
96.96015	75.5
97.58887	0.3
105.29247	0.2
107.52915	0.2
109.02947	0.3
110.97581	3.8
123.00912	0.5
125.02461	1.5
136.99136	0.6
137.02409	0.4
141.95776	0.7
149.02524	0.3
151.00319	0.4
151.04062	0.3
152.01118	0.3
156.95482	0.3
163.04070	0.4
165.01953	0.5
166.02702	0.5
167.00214	2.0
167.03580	0.4
169.01469	0.8
175.03940	0.4
177.01884	0.8
181.05061	0.4
191.03365	0.2
191.05603	1.1
193.05069	0.4
207.06531	0.4
243.02734	0.3
249.04184	0.5
252.33228	0.3
271.02472	0.8
275.02005	0.5
287.02090	0.9
289.03879	0.8
299.99118	0.4
301.00113	1.7
301.03198	0.5
310.77383	0.3
316.02161	2.7
331.04843	0.4
345.09576	0.3
357.09714	0.3
361.05859	0.4
405.12015	0.7
479.08148	2.8
480.08411	0.5
485.07446	4.1
500.09943	4.5
501.10156	0.5
515.12274	100.0
516.12598	9.8
650.98694	0.3
725.63037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58425	2.8
71.59772	3.9
95.01390	4.2
101.24696	3.1
117.03433	3.3
119.49190	2.8
123.00913	8.6
125.02473	6.9
147.04498	4.3
152.79503	3.2
159.04517	4.0
161.02489	4.4
161.06126	2.9
168.13821	2.7
173.02435	3.6
175.04103	5.9
177.01880	4.6
189.01906	3.2
196.94670	2.8
201.01923	4.8
203.03447	13.1
204.57036	3.0
217.01402	4.0
229.01392	11.9
231.02979	16.9
242.02144	3.2
245.00912	9.9
247.02368	3.6
249.03966	18.7
257.00998	8.6
258.01630	4.9
259.02332	4.7
269.00922	4.5
271.02353	3.3
273.00439	8.3
274.01288	16.8
275.01898	20.1
279.02979	4.1
281.04453	4.8
283.99838	3.5
287.02026	4.6
288.02826	5.7
296.03058	3.3
297.00482	3.7
298.01199	4.3
298.98505	4.3
299.98972	6.9
300.99924	79.0
302.00330	7.0
307.02283	5.4
309.04190	4.7
313.00092	3.5
314.00577	3.3
325.03680	3.6
335.01938	4.2
365.03055	6.1
379.00763	6.2
393.02615	7.5
425.01593	28.2
449.01572	7.9
467.02609	6.5
569.06018	7.4
587.06671	6.4
606.24634	3.5
613.05359	3.8
631.05853	85.9
632.06311	10.4
915.05322	3.8
933.06592	100.0
934.07349	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	987.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60607	0.2
79.01859	0.3
93.37292	0.1
103.61115	0.2
108.02100	0.4
117.03439	1.7
119.04958	0.3
125.02408	0.2
134.03659	0.4
135.04446	0.4
136.01591	0.6
148.37239	0.1
149.02457	0.7
150.03175	0.3
161.02379	0.2
162.03233	0.3
175.04012	1.5
176.04735	0.2
177.01962	1.1
178.02591	0.3
179.03416	0.5
186.03229	0.2
203.03462	0.2
221.11896	0.2
223.07649	0.2
225.05478	0.3
227.07079	0.5
237.05528	0.3
239.07043	0.5
240.07681	0.2
251.07098	0.3
252.07881	0.2
253.05087	0.9
267.06610	3.1
268.07297	1.0
279.06583	0.2
281.04590	0.3
295.06134	11.4
296.06903	80.1
297.07272	5.5
311.09271	100.0
312.09604	8.0
313.09882	0.4
397.13440	0.2
438.83765	0.1
447.51355	0.2
501.41623	0.1
687.43646	0.2
751.49841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60809	0.3
110.72334	0.2
123.00903	0.4
125.02471	1.1
133.21928	0.2
148.01617	0.3
160.01633	0.5
168.00652	0.4
169.01448	1.2
172.01622	0.6
173.02483	0.3
185.02426	0.3
188.01187	0.3
194.10538	0.2
196.59923	0.2
200.01129	1.3
201.02029	0.5
211.02441	1.4
216.00642	1.2
226.99910	0.4
228.00600	0.3
229.01329	0.9
242.99338	1.0
244.00125	1.7
245.00880	0.3
249.03819	0.3
257.00937	0.6
270.98682	0.3
271.04639	2.5
271.99600	0.7
282.98871	0.5
283.99478	0.6
298.98279	0.8
299.99112	100.0
300.99838	35.4
302.00305	1.9
306.41946	0.2
331.06723	0.8
339.48233	0.2
447.05695	94.9
448.06027	7.2
493.16855	1.7
537.19751	3.2
538.20166	0.4
953.25690	0.2
970.30939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60828	0.2
71.61250	0.3
74.91352	0.2
80.82828	0.2
88.67041	0.2
89.97448	0.2
96.95985	0.9
107.01373	1.0
109.02924	0.3
113.02245	0.2
123.00916	0.4
124.01707	1.2
125.02462	1.8
133.49713	0.2
136.01625	0.3
137.02437	0.9
139.00323	0.2
140.01170	0.4
151.00374	3.0
152.01134	0.9
163.00415	0.9
164.01115	1.4
165.01993	0.3
168.00592	1.1
169.01424	2.8
178.99875	3.0
199.04077	0.3
203.03479	0.7
204.04231	0.4
206.36278	0.3
211.02489	4.1
214.02724	4.0
215.03229	0.5
219.02951	0.3
227.03539	0.4
232.03772	0.5
242.02226	4.0
243.02928	1.6
244.03532	0.4
259.02466	3.9
270.01743	4.7
271.02448	24.8
271.04675	4.3
272.02747	1.5
272.05157	0.3
287.01990	15.6
288.02563	1.9
299.99100	0.9
300.99838	1.5
307.08533	0.4
315.01532	0.6
316.02240	90.5
317.02805	10.8
318.03168	0.4
331.06744	3.2
367.01215	0.3
447.05673	0.5
448.06244	0.3
449.07269	100.0
450.07648	9.6
503.94769	0.2
537.19971	2.5
571.59064	0.2
625.14398	0.3
706.28876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27292	100.0
222.04710	27.3
326.87003	27.9
332.10117	24.0
621.20740	25.5
873.60211	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43980	4.1
71.01373	17.7
71.59647	4.7
71.60040	5.1
83.05033	6.8
84.02199	4.1
88.98804	5.3
89.02421	12.4
98.19927	3.8
101.02434	12.9
111.08117	7.5
113.02463	6.0
125.02436	7.7
139.04070	4.5
163.11295	6.5
186.13269	4.1
197.11804	53.5
204.88524	3.8
209.11848	100.0
210.12303	5.7
211.13359	12.3
227.12959	18.2
235.08203	8.3
249.03987	4.4
275.01773	6.1
289.18057	6.0
291.19678	12.8
300.99890	12.1
309.20758	90.7
310.20969	7.3
397.13556	40.1
415.14450	17.6
432.44531	4.5
741.88672	4.9
1010.30737	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	977.6211
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.8
71.01365	0.5
71.05025	0.2
80.02634	0.2
83.01366	0.4
83.05021	0.5
84.02155	0.2
85.02951	2.7
89.02448	0.2
95.05039	0.5
96.96021	2.7
97.02930	0.6
97.06027	0.3
97.06594	3.1
98.37717	0.2
109.02953	0.3
109.74754	0.2
110.03753	0.3
111.04572	0.2
115.42456	0.1
115.87469	0.2
117.29662	0.2
120.65072	0.2
121.02955	0.5
122.22308	0.2
123.08198	0.3
125.02452	0.4
125.05994	0.2
125.09728	1.0
127.11292	1.1
135.08167	0.2
137.02438	0.3
137.09743	0.7
149.02399	0.2
155.10732	0.5
155.14478	0.4
161.02443	0.4
163.11264	0.2
165.01900	0.2
165.05545	0.2
165.12874	0.9
167.14423	0.7
169.01410	0.2
171.10278	10.0
172.10605	0.3
173.18439	0.2
175.11375	0.2
177.12875	0.8
183.13898	2.7
185.11829	0.9
193.12341	1.1
195.13963	0.3
197.11980	0.3
199.13353	0.4
201.11316	0.2
203.10767	0.3
209.11870	1.6
211.13402	16.6
212.13737	0.6
221.11816	2.5
227.07248	0.3
229.14449	11.2
230.14854	0.8
239.12909	1.9
247.20773	0.4
289.07175	0.7
291.19699	2.7
300.99915	0.4
302.00223	0.2
305.10495	1.0
307.02850	0.4
309.20700	0.7
320.35831	0.2
327.21774	100.0
328.22134	8.0
788.52374	0.2
930.25323	0.2
967.97900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	63.6
72.74619	34.5
78.81437	34.7
83.68945	43.9
88.98838	50.0
98.19895	85.1
109.02761	37.9
125.02442	84.3
130.52286	35.7
139.94473	40.4
197.57729	37.2
209.11835	100.0
221.48747	37.5
300.99789	93.0
605.83875	43.0
609.16980	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60774	0.2
71.86301	0.1
73.02953	6.0
87.66305	0.1
97.50723	0.1
99.00870	1.0
99.92591	15.8
100.92592	0.5
114.93465	0.8
116.92869	100.0
117.01945	10.1
117.05550	0.2
117.92881	3.6
131.91585	0.1
141.51579	0.1
151.91971	0.1
153.05661	0.1
209.11931	0.2
255.23451	0.2
257.73303	0.1
439.24304	0.1
512.25110	0.2
551.11194	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	975.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.1
69.95689	15.6
71.01388	16.7
73.02948	3.0
81.03442	5.1
83.01369	3.1
83.05038	8.9
85.02969	4.4
87.24503	2.9
89.02443	17.2
95.05009	3.8
97.02937	3.1
98.19857	3.6
101.02452	12.5
113.02451	7.2
119.03520	6.1
125.02448	10.3
135.08179	3.3
149.02530	4.0
150.03183	3.4
163.11243	8.6
165.12833	5.3
181.12390	4.6
191.14511	6.3
197.11884	4.0
207.10205	10.9
209.11847	100.0
210.12190	5.6
211.13403	4.3
225.11273	6.4
227.12933	14.3
235.08138	4.5
245.19046	7.6
249.04094	3.1
275.01785	4.2
289.18082	31.2
300.99930	8.5
301.03384	4.1
307.19116	38.8
309.20609	6.7
321.17145	3.6
397.13443	33.6
415.14600	9.6
486.31674	3.2
487.34265	26.1
516.33826	3.6
705.32861	4.7
897.44110	5.1
915.45898	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	973.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30899	2.7
71.01379	1.4
73.02965	0.4
79.75258	0.4
83.01383	0.8
85.02952	0.4
89.02426	0.5
95.01400	1.3
97.02952	0.4
101.00780	0.3
101.02437	0.9
107.01418	2.9
110.05787	0.3
111.00884	1.3
113.02464	0.7
121.02955	0.7
123.00906	7.7
125.02461	10.6
126.02766	0.6
127.00430	0.4
131.72478	0.3
136.98825	1.0
139.00366	2.8
140.01266	1.5
141.01906	1.0
141.88403	0.3
150.13843	0.4
151.00380	6.7
152.00819	0.4
163.00362	0.7
163.03943	0.4
168.00696	1.8
169.01439	14.3
170.01767	1.4
178.99867	0.6
211.02513	2.7
212.02840	0.8
220.67110	0.3
225.15103	0.5
227.03551	0.4
243.03058	1.3
254.02235	0.4
255.03024	6.2
256.03357	0.4
271.02469	11.2
271.04730	2.9
272.02859	0.9
272.05225	0.8
273.04968	0.4
297.06244	0.4
299.01721	0.4
300.02759	28.1
300.99957	0.4
301.03351	7.3
302.03702	0.8
313.05765	1.6
314.05884	0.5
331.06686	1.2
332.07266	0.5
377.66028	0.3
433.07761	33.3
434.08054	4.0
435.08258	0.5
494.18042	0.5
519.18762	0.6
520.19104	0.4
521.19550	0.9
537.19879	3.4
538.12366	0.5
538.20093	4.9
539.21326	100.0
540.21686	10.2
628.37457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.8
73.34990	0.2
85.02953	0.7
87.00890	0.3
95.01386	0.3
113.02488	0.4
125.02447	1.1
134.09358	0.3
135.00923	0.2
137.02487	0.3
139.84496	0.2
140.01144	0.2
146.00316	0.3
147.51755	0.3
152.99751	0.2
156.34964	0.2
160.01637	0.4
162.12715	0.3
163.00444	0.3
169.01430	0.8
172.01643	0.3
199.99362	0.2
200.01126	0.5
216.00720	0.9
228.00436	0.2
229.01500	0.3
242.99423	0.5
244.00053	1.0
249.04111	0.4
270.98886	0.4
271.02219	0.4
271.04773	0.4
273.56509	0.3
287.01892	0.3
298.98346	0.9
299.99124	100.0
300.99548	8.4
302.00140	0.4
314.00739	0.6
315.01480	76.7
316.01913	6.9
317.02707	0.5
357.03415	0.2
433.04068	1.1
445.13446	0.4
479.08646	1.6
491.04703	63.1
492.05051	7.0
569.18866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93200	0.6
69.38040	6.5
71.01379	3.1
76.33192	0.6
83.01379	1.2
89.02470	0.9
95.01402	1.2
96.95972	0.7
97.02955	0.7
101.02434	0.7
107.01386	5.1
109.02921	0.7
111.00892	2.9
113.02480	0.8
120.99660	2.4
123.00896	8.2
124.01670	1.3
125.02458	24.9
126.02819	1.1
127.00372	1.0
131.65137	0.6
139.00360	3.2
140.01126	3.1
141.01884	0.8
145.08698	0.9
149.02448	1.3
151.00375	7.2
153.01953	1.4
165.01961	0.9
167.03529	1.2
168.00642	10.9
169.01434	35.7
170.01758	1.5
190.99927	0.7
205.12433	0.8
211.02480	43.5
212.02840	1.9
219.04514	0.8
225.10477	0.8
241.03386	1.3
243.02966	2.6
254.02258	0.8
255.02971	8.2
271.02716	8.2
271.04721	70.3
272.04971	2.5
297.06146	0.7
300.02771	33.4
300.99973	1.3
301.03317	7.4
307.14044	1.1
312.07910	0.7
313.05585	2.3
315.16864	0.7
331.06735	25.4
399.77603	1.0
433.07733	39.5
434.08072	2.1
459.14554	2.1
459.19604	1.4
493.17056	1.4
519.18835	2.1
537.19781	100.0
538.20123	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	969.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.7
71.01388	20.8
72.99284	2.3
73.02940	3.7
80.02718	1.9
81.03470	2.9
83.01402	3.3
83.05038	4.8
85.02946	4.5
87.00871	5.5
89.02449	19.6
95.01399	1.7
96.95990	2.6
97.02928	3.3
97.06596	2.4
101.02467	15.0
109.02927	2.9
109.06602	5.1
111.08152	2.4
113.02445	8.6
116.92846	4.3
117.01962	1.8
119.03500	6.0
125.02444	10.4
135.08167	2.2
143.03510	3.7
161.04544	4.3
163.11263	7.4
165.12865	3.0
171.10278	5.5
179.05627	7.8
191.10776	2.8
191.14224	2.5
197.11821	10.9
201.11354	2.1
207.10263	14.0
209.11839	100.0
210.12163	4.3
211.13300	3.3
221.06688	2.2
225.11414	11.0
227.12915	24.2
228.13260	2.6
235.08238	5.3
245.19008	4.0
246.19597	2.7
289.18088	18.5
291.19702	7.0
297.54294	1.8
297.57516	2.3
307.19150	21.0
308.19482	2.2
309.20761	22.7
310.20996	1.9
379.12292	2.5
397.13504	39.1
415.14548	18.2
420.27502	1.8
487.34238	7.1
582.13141	2.0
607.25854	2.6
623.25275	3.0
915.46429	9.8
916.46722	3.5
969.45129	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	971.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53460	2.9
71.01381	0.5
77.03926	0.4
82.20222	0.5
84.15811	0.4
91.05536	0.9
93.03469	1.2
95.01411	0.6
98.20644	0.8
99.00906	0.8
105.03478	1.1
105.07088	0.8
106.04230	0.4
107.01407	0.4
107.05023	2.3
109.02959	0.6
111.00887	0.6
115.05527	0.5
117.03468	1.4
119.05003	2.5
121.02969	1.7
121.06569	2.2
123.00904	1.1
123.04534	1.6
125.02473	3.3
131.05023	1.2
133.06602	9.5
135.04547	5.0
137.02454	2.0
141.90775	0.4
143.05032	1.0
145.02972	4.2
146.03694	1.5
147.00848	0.5
147.04521	1.3
149.02452	4.9
149.06082	2.8
151.04021	7.1
158.03696	0.6
159.04521	6.5
160.05260	0.7
161.02448	1.6
161.06084	14.4
162.03241	3.6
163.04021	22.4
164.01175	0.7
164.04410	0.7
165.01941	2.3
169.01413	2.7
173.02438	1.1
175.00365	0.5
175.04005	2.4
177.01955	1.4
177.05571	6.7
185.02434	1.6
187.04005	9.7
189.01935	1.0
190.02731	5.3
191.03493	2.2
192.00717	0.7
193.01427	22.6
194.01761	0.6
195.03040	0.7
201.01973	1.8
203.03497	4.4
204.04128	0.9
205.05066	26.4
206.05379	1.0
217.01404	0.5
219.03009	1.1
221.04549	0.6
229.01453	4.7
230.01863	0.5
231.02962	2.5
233.00937	1.7
235.02385	0.7
237.00418	2.2
245.00914	1.9
247.02573	1.5
249.04044	18.7
250.04424	1.0
257.00967	2.6
258.01749	0.9
273.00345	1.0
274.01138	1.0
275.01993	13.2
275.04990	0.7
276.02322	0.8
283.99689	1.8
291.01410	0.8
293.03122	3.2
299.99112	1.7
300.99905	43.9
302.00272	3.1
337.02032	100.0
338.02359	6.0
463.05191	1.2
481.06299	5.9
633.07367	32.6
634.07623	3.4
720.22864	0.5
819.08929	1.8
971.09772	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	969.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01415	1.6
72.99329	0.5
73.02988	0.7
79.01938	0.6
83.01418	0.9
85.03005	0.7
94.55730	0.5
95.01426	0.8
96.96040	1.0
101.02512	1.0
107.01403	4.4
108.02238	1.2
109.02946	4.2
110.00177	0.5
110.03337	0.6
111.00934	1.8
113.02470	0.6
121.03020	2.3
123.00900	2.7
123.04603	0.6
124.01701	0.5
125.02457	9.9
125.03288	0.8
126.02780	1.2
127.00389	0.5
136.98880	0.9
139.00429	2.3
140.01172	2.9
148.01706	0.9
151.00380	13.8
151.01529	0.8
152.01207	1.5
153.01956	3.2
163.00443	1.9
165.01978	0.7
168.00648	4.4
169.01440	17.6
170.01810	1.8
172.91699	0.6
175.03986	0.5
177.04041	3.7
177.07115	0.6
178.99873	6.5
187.04160	0.5
193.05157	0.7
195.02945	1.2
201.05664	0.6
211.02473	8.9
212.02861	3.2
213.03142	0.8
226.02731	1.0
227.03484	2.4
228.04268	0.6
229.05025	0.6
239.03494	0.6
241.03581	0.9
243.03012	5.5
245.04643	1.4
247.37805	0.6
254.02290	1.2
255.02980	14.8
256.03506	1.7
257.04114	0.6
271.02533	29.1
271.04761	7.2
272.02811	2.2
272.05353	4.4
273.04965	2.0
279.79581	0.6
283.02478	1.3
297.06332	0.7
299.02109	1.2
300.02768	62.9
301.00156	1.7
301.03479	51.1
302.03812	5.7
303.04019	1.1
313.06131	0.9
324.35089	0.6
329.05142	3.9
331.06860	1.6
332.07108	1.1
422.74466	0.5
447.09360	100.0
448.09656	15.2
449.09848	4.6
483.44879	0.6
495.65018	0.7
519.18591	4.3
520.18964	5.9
521.20239	67.6
522.20679	8.1
539.20673	0.6
714.13086	0.5
891.95221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02941	2.5
76.62984	2.6
86.27189	2.4
91.91209	2.7
95.01407	6.9
103.43150	2.7
121.02943	2.9
123.00894	11.8
125.02427	9.5
131.05035	4.1
135.04489	3.0
145.02908	5.6
147.04544	9.1
149.02431	6.5
157.02982	2.9
159.04510	7.7
161.02414	5.1
163.00459	4.2
163.04083	5.1
165.01997	5.6
171.04561	2.9
173.02429	9.1
175.04015	19.4
177.01941	8.9
177.05505	3.1
185.02478	6.8
187.03967	7.9
189.01982	6.0
190.02705	5.5
191.03555	8.9
193.01427	15.8
201.01892	11.2
202.02519	2.9
203.03520	30.7
204.04190	3.6
205.01526	3.1
205.05026	7.3
207.02943	3.4
214.02673	4.7
215.03520	5.4
217.01372	5.9
219.02937	3.3
221.04445	3.3
227.03429	6.1
229.01434	18.1
229.05032	5.6
230.02107	3.4
231.03018	33.7
232.03539	3.2
239.03337	4.5
241.04962	4.5
242.02194	3.5
243.02928	7.5
245.01010	7.8
245.04631	3.6
247.02452	11.7
249.04021	46.6
253.04959	2.7
255.02983	5.0
256.03763	4.7
257.00931	18.1
257.04391	5.0
258.01505	7.2
259.02383	9.6
263.42377	2.6
264.04288	3.3
266.02017	3.5
267.03021	5.3
268.03494	3.1
269.04514	6.2
270.99109	2.4
271.02484	9.6
272.03186	6.5
273.00424	4.0
273.03900	2.9
274.01187	19.6
275.01944	42.0
281.01050	4.0
281.04523	3.2
283.02542	8.2
283.05869	3.0
283.99579	4.7
284.02908	3.6
285.00607	4.1
285.03735	6.6
287.01993	20.1
288.02792	27.4
291.01440	3.6
295.02512	8.6
295.06058	3.4
296.03000	3.8
297.03973	6.0
298.01083	9.4
299.01962	26.3
299.99069	6.5
300.02707	7.0
300.99976	100.0
301.03445	12.9
302.00290	7.3
302.04352	11.1
303.01370	3.3
307.06360	3.8
308.03247	5.0
309.04089	7.4
311.01971	11.0
311.05649	6.9
312.02832	8.8
313.00150	3.4
313.03366	14.2
314.00806	6.4
314.04333	8.0
315.05130	3.8
316.02322	4.3
317.02985	11.6
321.03943	4.6
323.01926	11.4
323.05634	5.4
324.02737	5.2
325.03622	6.4
326.00473	4.5
326.04080	5.2
327.01407	20.3
327.04965	5.5
328.02124	6.6
328.05701	2.9
329.02985	11.2
329.06729	7.8
336.02820	4.0
337.03146	9.0
338.04330	3.4
339.01428	6.5
339.05273	6.3
340.02271	8.2
341.02979	18.7
349.03491	5.9
351.01297	6.3
351.05133	5.6
352.02036	4.8
353.02887	11.8
353.06705	5.6
355.04431	8.2
365.03015	8.4
367.04636	7.6
369.02423	5.6
375.05734	2.6
379.04572	6.0
382.03430	2.9
383.03833	3.6
387.03497	6.6
389.06473	5.0
391.08328	5.0
397.05478	6.4
411.03778	8.6
417.04745	3.3
429.04901	5.6
437.08197	3.8
441.04681	5.2
445.05341	3.0
455.03076	6.3
455.09741	2.7
460.97321	4.5
461.03641	71.1
462.04059	6.6
471.05725	2.8
481.07248	3.5
485.03552	5.3
503.04675	17.0
504.04800	3.9
515.03943	2.8
525.06659	3.2
529.02655	7.8
531.07770	3.0
561.09076	3.8
569.05347	3.6
587.06818	6.1
605.08221	16.1
623.08734	6.3
631.05713	4.2
649.06616	9.9
667.07800	60.5
668.08417	7.6
735.02661	3.1
783.07623	3.9
907.08545	11.0
925.08887	3.2
951.07532	14.5
969.08844	57.5
970.09003	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	969.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25179	7.8
70.25564	5.8
95.01400	8.5
99.00895	3.2
106.54234	3.0
109.02952	3.4
117.03484	4.4
121.02985	4.5
123.00893	13.3
124.01707	4.7
125.02462	18.9
128.47569	3.0
131.05009	6.8
133.02983	4.4
135.04509	3.7
137.02467	3.8
139.25694	3.2
145.02966	7.6
147.04543	8.7
149.02428	7.8
151.03989	4.2
158.03773	4.6
159.04523	10.9
160.96802	3.4
161.02467	6.9
162.03224	3.2
163.00401	5.6
163.04002	8.6
164.01065	3.0
165.01979	5.9
171.04465	5.1
173.02409	8.4
175.04034	25.5
177.01933	10.9
177.05598	5.1
185.02365	9.2
185.06071	3.0
187.03993	9.4
189.02069	3.6
190.02687	7.2
190.99850	5.5
191.03462	12.0
192.00610	5.2
193.01402	17.8
201.01970	11.9
202.02617	4.7
203.03494	39.5
205.04974	5.7
207.02928	3.3
207.66833	3.1
211.04042	5.7
214.02715	5.6
215.03549	5.1
217.01450	5.5
219.02905	9.1
221.04535	5.2
227.03436	9.0
229.01442	17.4
230.01871	3.9
231.02953	47.7
239.03450	4.8
239.53568	3.4
241.04967	5.3
242.02237	3.9
243.02913	6.6
245.00896	9.5
245.04596	3.4
246.26193	3.1
247.02510	11.2
248.03392	5.3
249.03995	83.7
250.04399	5.5
253.01469	3.8
253.05153	6.2
256.03589	5.5
257.00900	14.3
257.04401	4.9
258.01578	8.3
259.02335	6.2
265.05075	6.0
267.03027	7.6
268.03818	4.7
269.00812	4.6
269.04385	7.4
271.02496	9.9
272.03369	4.1
273.00455	8.5
274.01108	18.9
275.01932	49.6
277.05240	5.1
279.03055	3.3
280.03604	4.4
281.04565	4.4
283.02606	5.3
283.99545	5.8
285.04056	6.2
287.01981	12.5
288.02905	20.3
291.01431	7.8
294.05328	4.4
295.02222	5.9
296.03214	4.9
297.04062	5.2
298.01205	14.2
298.98663	6.9
299.01968	33.7
299.99106	8.1
300.02411	6.3
300.99948	100.0
301.03418	10.8
302.00244	8.9
302.04004	5.6
305.04745	4.4
307.02548	4.9
309.03967	9.5
310.01169	5.1
310.04642	6.3
311.01999	12.9
311.05457	5.0
312.02753	9.5
313.03580	18.6
314.00607	9.9
314.04114	4.6
315.01459	5.8
315.05109	3.8
317.03012	9.0
321.03961	7.1
323.01855	13.5
323.05536	6.8
324.02704	7.4
324.99985	6.7
325.03638	12.3
326.00610	8.4
326.04239	4.1
327.01465	21.4
327.04922	7.6
328.02231	6.4
328.05881	4.2
329.02988	6.8
336.02573	3.6
337.03397	7.5
338.00601	4.1
339.01379	16.1
339.05032	6.1
340.02148	10.0
341.03018	15.7
343.04715	4.0
349.28696	3.2
351.01291	5.3
351.05112	5.0
352.02231	7.9
353.02969	10.1
353.06656	8.5
354.03812	6.7
355.00751	3.8
355.04761	5.0
357.02441	8.1
363.05005	4.0
365.03027	8.7
367.00677	6.6
367.04813	7.7
369.02335	4.1
375.04929	4.8
379.04526	6.3
381.02335	4.2
383.04111	7.4
387.03778	4.0
388.03897	3.8
389.06680	9.2
395.00110	7.6
397.05872	9.3
407.08047	4.6
409.05917	3.8
411.03610	10.3
419.07407	7.4
433.05899	4.2
435.07211	7.4
441.04764	5.3
455.02405	16.6
461.03647	38.3
481.06644	5.5
485.03738	11.2
487.01981	4.2
503.04898	6.2
514.07550	3.7
529.02582	18.5
543.07672	5.1
553.06244	3.8
587.06866	13.4
605.08203	24.3
623.08801	3.8
649.06403	7.8
661.34766	3.2
667.07996	16.0
780.87244	3.2
907.08215	19.1
908.08710	6.0
951.07568	30.7
952.08301	7.6
969.08624	66.9
970.09283	10.1
983.10071	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	969.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58984	9.1
77.88054	3.9
79.32419	4.3
89.07572	4.9
95.01398	5.2
123.00849	7.8
125.02432	8.0
138.73001	4.3
159.04536	6.2
161.02528	6.8
173.02350	4.9
175.03969	9.3
177.01996	5.2
190.99896	4.4
191.03665	5.4
201.01819	8.3
203.03481	20.0
214.58684	4.8
217.01476	8.8
219.02682	4.4
226.99937	4.5
228.95697	4.3
229.01453	13.7
231.02931	16.5
241.01529	5.0
245.00923	14.4
247.02402	7.9
249.04054	20.4
257.01013	10.5
258.01532	5.1
270.98804	5.4
273.00412	19.0
274.01196	14.2
275.01880	27.4
299.02161	4.9
299.99124	9.1
300.99911	100.0
301.03326	7.2
302.00339	7.9
327.01318	5.4
345.65002	4.4
353.03003	5.1
407.00256	5.1
425.01367	23.6
613.04089	5.3
631.05847	77.8
632.06183	12.0
667.07434	5.5
933.06451	62.1
934.06683	14.5
969.07349	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	967.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.4
71.01385	0.9
81.03465	1.6
83.01391	4.7
89.03986	1.2
90.23148	0.8
93.03459	2.1
95.01413	1.8
95.05038	2.5
97.02936	5.1
107.01434	1.0
107.05011	1.4
109.02956	19.9
111.00884	0.9
117.03450	1.5
119.04974	1.5
121.02949	3.3
123.00883	6.2
123.04530	14.3
124.04845	1.1
125.02449	100.0
126.02802	3.3
133.02971	4.1
135.00977	1.1
135.04533	2.7
137.02431	18.5
139.00398	1.0
139.03999	2.8
145.02977	1.8
146.03728	1.0
147.04564	1.4
149.02460	5.2
151.00378	2.1
151.04027	13.3
157.02943	1.0
159.04521	4.3
160.05368	0.9
161.02444	28.2
161.06073	3.5
162.03137	2.3
163.00334	2.9
163.04027	3.5
164.01173	3.8
165.01930	5.0
167.03514	1.5
169.01442	7.5
174.03133	1.4
175.04001	10.1
175.07541	1.4
176.04153	1.0
177.01918	7.6
177.05623	1.1
179.03497	6.0
179.30847	1.0
185.02486	1.4
185.06119	1.7
187.04012	7.0
188.04782	3.7
189.01970	1.6
190.02667	1.0
191.03520	2.0
193.05096	1.2
199.03958	1.1
201.01965	1.9
202.06293	1.7
203.03471	2.6
203.07126	9.8
205.01421	3.3
205.05095	7.3
211.03987	1.2
214.02876	1.3
214.99919	1.4
215.03510	2.3
217.01465	1.9
217.05019	1.7
221.08197	1.8
227.03450	2.7
227.07002	1.6
229.01395	2.5
229.05058	4.2
231.03008	2.8
243.03040	2.6
243.06630	1.5
244.03584	1.1
245.00841	2.1
245.04538	7.0
245.08191	16.2
249.04037	2.9
253.05141	2.2
255.02963	7.1
256.03732	4.7
257.00870	1.9
257.04446	2.8
258.01514	1.4
269.04584	2.0
271.06235	2.2
273.00592	1.8
273.04074	4.1
274.01154	1.4
275.01996	7.2
281.04556	4.2
283.02478	1.9
285.04068	3.7
287.05603	15.3
289.07181	62.6
290.07443	4.5
297.03995	2.8
298.04498	1.0
298.98355	2.9
299.05493	5.2
299.99149	1.3
300.99875	18.1
302.00269	4.2
311.02075	1.5
329.06674	1.6
339.08759	5.5
367.00714	1.1
381.09735	2.2
389.06506	0.9
389.10861	19.9
390.11203	2.5
407.07693	59.8
408.07986	5.8
425.08777	59.2
426.08914	6.1
451.10291	20.2
452.10498	2.7
559.12335	2.8
577.13519	53.1
578.14001	7.2
631.05603	1.4
649.07202	1.6
789.86072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30872	6.1
71.01422	1.1
85.02948	0.9
92.54845	0.8
99.00913	0.8
107.01398	5.7
108.02267	0.8
109.02995	1.8
111.00925	2.8
112.42442	0.6
114.55069	0.7
121.03022	2.4
123.00957	2.8
123.04629	0.8
124.01719	1.3
125.02454	29.6
136.98888	1.3
137.02431	0.7
139.00447	2.4
140.01154	4.2
149.02484	1.0
151.00371	11.4
163.00439	3.0
164.01088	1.0
165.01984	1.5
167.03557	1.8
168.00635	18.2
168.01950	1.3
169.01436	38.5
170.01788	1.5
173.92961	0.6
178.99873	4.9
201.05539	0.8
211.02480	72.8
212.02876	2.2
227.03557	1.4
241.03511	1.3
243.03006	4.3
245.04466	0.9
254.02306	1.2
255.03004	15.0
256.03598	1.2
269.00540	0.7
269.07227	0.7
271.02371	18.0
271.04672	92.2
272.02667	1.3
272.05396	3.7
273.03928	1.2
283.02432	1.3
294.35706	0.6
300.02765	61.3
301.00146	1.7
301.03503	48.2
302.03909	2.9
331.06741	20.2
332.07202	1.7
360.82593	0.7
447.09329	100.0
448.09622	10.0
519.18713	89.4
520.18890	12.0
638.91785	0.7
665.20111	0.8
669.96478	0.7
778.00244	0.8
961.12585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.2
71.01370	0.4
71.05010	0.7
74.58469	0.2
81.02981	0.3
81.03461	6.4
82.03767	0.2
83.01398	1.5
83.05033	0.7
85.02952	0.2
95.01389	0.2
95.05077	0.4
96.96027	0.3
97.06590	0.5
107.01400	0.9
109.02956	0.2
109.06606	0.4
111.08152	0.2
119.30347	0.2
121.02970	0.3
121.06628	0.3
122.03773	1.6
123.04545	0.3
123.08159	0.2
124.01716	0.2
125.02454	7.4
125.09723	0.2
135.04541	0.2
136.05296	0.3
149.06102	0.3
151.00349	1.4
161.09662	0.2
162.03192	0.2
163.11281	0.3
166.02844	0.2
168.04253	0.2
179.03494	0.3
179.14420	0.3
181.12242	0.3
189.12866	0.2
197.15034	0.2
203.14325	0.3
209.11855	0.7
211.13342	0.5
221.15495	1.4
223.13399	1.8
233.15514	0.4
235.13416	0.5
245.15466	2.5
247.09637	0.2
261.14911	0.2
263.16519	6.8
264.16861	0.5
265.14575	0.4
289.14514	0.5
300.99811	0.4
307.15515	100.0
308.15860	7.4
345.16269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.3
69.48262	1.7
71.01390	0.6
71.19732	0.2
73.02950	0.3
75.00874	0.2
83.05041	0.3
85.02979	0.3
87.00882	0.3
96.96011	0.7
97.02939	0.2
101.02522	0.3
102.04914	0.2
109.06611	0.2
111.08173	1.2
115.00349	0.2
116.92904	0.4
125.02444	0.5
126.90462	0.2
129.01941	2.0
135.03033	0.5
165.05635	0.3
165.12845	23.8
166.13164	0.9
169.01491	0.4
171.10248	0.4
175.02521	0.4
183.13898	98.3
184.14236	4.0
209.11829	7.8
210.12175	0.3
225.11308	0.3
227.12886	100.0
228.13193	5.2
253.09248	0.5
300.99850	0.7
341.23364	0.3
445.20953	0.4
470.21964	0.3
742.68719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13442	0.2
71.01373	0.2
79.01855	0.4
96.95956	0.2
97.39840	0.2
108.02094	0.3
117.03434	1.9
118.91564	0.2
121.02855	0.2
134.03667	0.5
135.04436	0.3
136.01701	0.7
143.24597	0.1
149.02385	0.7
150.03116	0.2
162.03210	0.2
164.46747	0.2
175.04041	1.4
177.01944	1.0
178.02591	0.2
179.03455	0.5
186.03123	0.3
197.11794	0.2
209.06030	0.2
209.11908	0.3
211.13306	0.4
223.07585	0.3
223.13278	0.2
224.08287	0.2
225.05525	0.3
227.07095	0.5
237.05559	0.3
239.07172	0.5
240.07808	0.4
242.77998	0.1
251.07143	0.2
253.05080	0.8
267.06601	2.7
268.07269	0.9
279.06598	0.2
281.04596	0.3
293.21298	0.2
295.06137	10.9
296.06891	78.7
297.07248	4.9
311.09259	100.0
311.21985	1.5
312.09610	7.6
328.05902	0.3
381.84863	0.2
444.42212	0.2
714.94702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51154	0.6
69.43846	5.4
70.58757	0.6
83.01389	0.8
95.01392	1.8
95.44015	0.7
108.28294	0.6
109.02960	0.7
117.03467	1.2
119.05044	0.7
121.03004	1.3
123.00917	3.4
124.01648	0.7
125.02446	7.0
129.03448	0.8
133.02972	1.1
137.02477	1.0
145.02931	4.0
147.04526	1.4
149.02415	1.0
153.30286	0.6
157.02908	1.7
159.04489	1.7
161.02454	3.1
161.06042	0.7
163.00475	0.7
163.04050	1.9
164.01196	0.6
165.01927	0.7
169.01414	2.9
171.04408	0.7
173.02440	4.2
174.03123	1.0
175.04010	3.2
177.01985	3.3
185.02480	3.7
187.04007	1.7
189.01912	2.6
190.02654	0.8
191.03461	2.0
197.06230	0.7
199.04053	0.7
201.01958	5.4
203.03519	5.8
205.01376	0.9
209.06047	0.8
213.01907	1.4
214.02672	1.0
215.03511	1.1
216.00589	1.1
217.01408	3.6
217.04909	0.7
218.01894	0.8
227.03416	1.1
228.00639	1.0
229.01413	7.4
229.05016	0.9
231.02972	7.4
235.04166	0.7
241.01479	0.9
242.02066	0.9
242.99223	1.0
243.02968	1.4
244.00105	0.8
245.00920	6.4
247.02472	2.0
248.03133	0.9
249.03967	9.5
253.05180	1.3
255.03003	1.2
256.03568	0.9
257.00909	5.8
257.03384	0.8
257.04385	0.7
258.01639	2.8
259.02451	1.9
260.03198	0.7
261.00385	0.8
263.03601	1.3
265.05054	0.7
265.09351	0.8
267.02985	1.7
269.00974	1.8
269.04587	1.0
270.98953	1.2
271.02417	2.0
273.00394	7.2
274.01163	5.3
275.01950	11.3
279.03030	1.0
280.03772	1.3
281.01044	0.9
281.04626	1.1
283.02509	1.4
283.99658	3.3
285.00259	0.9
286.01080	0.9
287.01923	3.3
288.02777	4.2
293.04514	1.5
295.02484	2.9
297.00751	1.2
297.04108	1.9
298.01089	1.8
298.98367	2.6
299.01947	3.2
299.99167	5.6
300.02618	1.1
300.99902	100.0
302.00327	7.6
305.04678	0.8
307.02603	1.1
308.03494	1.3
309.03992	1.7
311.01993	1.9
312.02673	0.9
313.00085	0.9
313.03519	2.0
314.00659	2.3
315.01508	2.5
316.02078	1.2
317.02908	0.7
321.04071	1.7
322.01099	0.8
323.01953	2.0
323.05560	1.2
324.02576	1.2
325.00134	0.8
325.03552	2.1
326.00677	2.0
327.01419	4.6
333.04025	1.2
335.01892	1.1
336.02606	1.3
337.03525	2.4
339.01434	2.5
340.02310	1.9
341.03021	1.9
342.00150	1.0
343.01080	0.8
349.03448	1.7
351.01508	2.6
352.02231	1.2
353.03000	2.7
354.03827	1.1
363.01279	1.1
364.02118	1.2
365.03079	2.1
366.03778	1.2
367.00781	1.9
367.04849	1.4
369.02618	2.3
375.01318	0.9
377.02881	1.6
379.00778	1.4
380.01471	1.3
381.02441	3.3
382.03137	1.0
383.03995	1.0
391.00751	1.0
393.02356	1.8
395.03989	1.9
397.01932	2.0
398.02853	2.7
399.03592	2.0
403.12335	1.1
405.02466	1.0
407.00311	0.8
409.01935	2.0
410.02444	1.1
413.04883	0.9
421.02136	1.6
423.03558	2.9
425.01419	11.4
426.01917	1.2
437.01340	1.1
437.10718	0.8
438.02185	1.2
439.03107	1.2
441.04587	1.2
449.01474	2.5
457.04065	2.2
467.02609	3.4
479.02609	0.9
481.09729	2.0
483.08017	0.9
489.04572	1.2
495.05478	0.8
507.05612	2.5
511.05109	0.7
525.06744	0.9
533.03595	0.8
543.07855	1.3
551.04633	1.3
564.34003	0.7
569.05835	9.9
570.06219	1.5
583.38300	0.8
587.06842	5.8
588.06921	1.3
601.08081	4.3
613.05011	6.1
614.04370	0.8
619.09424	6.4
620.09576	1.0
631.05701	23.6
631.16058	1.5
632.06207	2.4
645.06885	1.4
663.08386	60.3
664.08801	6.9
915.05060	1.4
933.06403	3.4
965.09003	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	963.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99801	0.4
69.03461	2.3
69.68719	1.9
69.69129	0.7
71.01394	16.4
72.99300	1.6
73.02942	1.7
81.03441	0.6
83.01399	1.6
83.05037	0.7
85.02962	8.5
87.00877	4.0
89.02453	14.4
95.01389	1.5
95.05032	0.6
97.02956	3.8
97.06596	2.1
98.20541	0.6
99.00872	1.0
101.02457	12.9
111.00913	0.4
111.04497	0.8
113.02473	6.5
116.92856	0.6
119.03522	3.7
125.02448	4.5
125.09769	0.6
127.11286	1.4
137.09702	0.9
139.03970	0.5
143.03528	1.9
155.10756	0.8
155.14429	0.4
161.04558	2.5
165.12843	0.7
171.10280	19.3
172.05566	0.4
172.10594	0.7
177.12814	0.6
179.05675	3.2
183.13928	1.8
185.11853	0.7
193.12361	0.6
197.11935	0.4
201.11263	1.0
209.11867	1.0
211.13408	12.4
212.13617	0.4
221.06714	1.0
221.11848	2.1
229.14456	8.7
230.14929	0.7
235.08272	4.7
239.12901	1.7
242.46152	0.4
253.09265	1.0
255.23314	35.8
256.23611	2.8
263.07758	0.6
269.24792	0.5
287.07715	0.8
291.19666	3.4
305.08768	1.3
309.20721	8.1
323.09967	1.1
327.21783	100.0
328.22137	7.4
328.65744	0.5
333.28528	0.4
351.21915	0.7
356.56799	0.5
361.11401	0.5
379.12222	0.5
397.13519	52.0
398.13937	3.8
415.14600	15.1
416.15060	0.7
565.44843	1.5
597.43073	0.5
624.98096	0.4
653.37488	5.6
654.37982	0.8
707.35052	5.7
708.35999	1.1
725.36090	2.8
963.57977	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	964.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	16.7
71.60597	7.3
75.38040	5.1
109.06595	8.3
111.79619	5.5
119.03399	5.7
133.90454	5.6
135.04518	6.7
146.08603	5.7
153.05609	29.0
166.61380	5.1
205.49551	6.7
209.11803	9.2
225.11320	5.8
266.92215	6.2
271.62256	5.5
297.95343	5.2
335.18619	100.0
336.19006	61.4
471.21536	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	964.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	16.7
71.60597	7.3
75.38040	5.1
109.06595	8.3
111.79619	5.5
119.03399	5.7
133.90454	5.6
135.04518	6.7
146.08603	5.7
153.05609	29.0
166.61380	5.1
205.49551	6.7
209.11803	9.2
225.11320	5.8
266.92215	6.2
271.62256	5.5
297.95343	5.2
335.18619	100.0
336.19006	61.4
471.21536	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	963.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45854	4.1
69.46265	1.4
87.33124	0.8
91.05569	0.6
92.32341	0.6
93.03438	0.9
95.01379	1.5
98.19838	0.8
99.22112	0.7
117.03479	1.5
119.04999	0.9
120.90936	0.7
121.02947	0.8
123.00885	3.7
124.01707	0.8
125.02444	5.7
133.02948	1.8
145.02988	4.0
147.00955	0.7
147.04518	2.5
149.02422	1.3
157.02954	0.9
158.03754	0.8
159.04480	1.8
160.01717	0.6
161.02428	2.6
163.04018	1.7
165.01918	0.7
165.99068	1.2
168.95935	0.7
169.01402	1.1
171.12376	0.7
173.02444	4.5
174.03123	1.0
175.03993	3.3
177.01949	3.1
183.88045	0.8
184.49419	0.6
185.02444	3.9
186.03026	0.8
187.00308	1.0
189.01910	2.5
190.02733	1.3
191.03479	2.3
200.01106	1.3
201.01912	6.2
202.02542	0.7
203.03477	6.7
204.04001	0.8
205.02946	0.7
207.04628	0.9
209.00844	1.8
209.06154	0.8
211.03984	1.2
211.25896	0.6
213.01903	2.4
214.02760	1.1
214.99982	0.8
216.00569	0.7
217.01421	3.6
219.02896	1.2
223.04027	0.9
225.05502	0.7
226.99852	0.9
227.03410	1.0
228.00694	1.3
229.01398	11.6
230.01938	1.3
231.02957	6.5
235.04092	1.6
239.03394	1.1
243.99940	1.1
245.00871	5.3
246.01540	0.7
247.02412	1.6
249.03979	7.8
251.03491	2.3
252.04335	1.0
253.04890	0.9
254.02322	0.8
254.99364	0.9
256.00256	1.1
257.00970	6.7
258.01608	3.1
259.02359	1.5
263.03448	1.1
265.05106	1.1
266.02023	0.8
267.02966	1.9
269.00854	1.9
269.04257	0.7
270.98828	2.0
273.00336	6.3
274.01154	6.1
275.01944	21.4
276.02209	1.2
277.04892	1.0
279.03027	3.8
280.03815	1.1
283.02286	0.9
283.99738	3.8
284.02539	0.7
285.00369	2.0
286.01108	1.0
287.02051	2.9
289.44873	0.7
291.03122	1.1
292.03943	0.7
293.04654	1.1
295.02463	2.1
296.03137	0.9
297.00491	0.9
298.98309	2.2
299.01730	1.0
299.99188	6.6
300.99887	100.0
302.00308	5.9
305.00885	0.8
307.02496	3.3
308.03192	1.5
309.04004	2.0
311.01846	1.6
312.02783	1.4
313.00003	3.6
313.03021	0.8
314.00537	2.6
315.01572	1.6
319.02551	1.9
322.01273	1.0
323.01974	1.8
324.02643	0.8
324.99869	0.9
325.03369	0.9
326.97964	0.9
327.01428	1.4
331.02570	0.9
333.04224	1.0
335.02002	3.8
337.03525	1.4
338.00885	0.9
339.01511	1.3
339.98776	1.0
340.02292	2.7
340.99365	1.6
343.01035	1.0
345.00137	1.2
347.02090	1.8
350.00525	1.8
351.01355	4.2
353.03040	1.8
360.99835	1.3
362.97369	0.8
363.01227	3.9
364.02209	1.1
365.02972	2.2
367.00833	2.0
373.03830	0.9
375.01343	1.5
376.99033	1.1
377.03085	1.3
379.00775	3.3
380.01694	1.6
381.02203	3.7
391.00931	3.1
393.02527	1.3
404.01587	1.0
405.99518	0.9
407.00253	8.7
408.00732	1.8
409.01959	2.2
419.00198	4.7
421.02155	2.2
422.99854	0.9
431.04388	0.8
432.97910	1.3
434.99673	4.7
441.04446	2.1
446.99805	7.6
448.00201	1.0
453.04736	0.8
455.02609	4.3
465.00510	1.7
467.02621	2.3
472.97992	2.0
479.02740	1.2
485.03128	1.0
495.05710	2.7
497.03320	1.1
505.00546	2.6
509.02005	1.0
523.01440	6.7
524.01746	1.0
555.07178	1.1
557.06073	1.1
567.04401	1.2
585.04718	1.6
599.06720	2.5
601.04340	0.8
611.02930	1.1
617.08099	1.9
625.05133	0.8
643.05652	8.4
661.06738	19.2
662.07507	2.9
931.04248	0.7
945.06317	9.5
946.07080	1.4
963.07129	11.2
964.08301	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	959.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.7
68.12775	0.2
69.03462	0.3
69.28555	0.5
69.28959	1.7
71.01384	1.5
72.99305	0.3
73.02955	0.4
79.01905	1.0
81.03488	0.3
83.01395	0.7
85.02959	0.8
87.00845	0.3
95.01399	1.2
97.02965	0.5
99.00906	0.4
101.02454	1.2
107.01373	2.0
109.56262	0.2
110.00097	0.2
111.00880	1.6
113.02456	0.6
117.51353	0.2
123.00901	9.3
123.04515	0.7
124.01702	0.5
125.02461	9.9
127.00388	0.4
135.04436	0.3
136.98825	1.0
139.00378	3.0
140.01184	2.1
141.01961	1.1
144.00081	0.2
151.00389	6.4
151.04002	0.3
167.03511	1.3
168.00677	1.5
169.01440	11.7
181.05064	0.3
209.04529	0.3
209.15491	0.4
211.02533	0.5
271.04611	1.2
273.07651	1.7
300.99933	0.6
313.05698	0.8
325.82712	0.2
349.49902	0.2
392.68991	0.2
435.13110	0.4
470.45331	0.2
522.21130	0.3
523.21906	100.0
524.22235	12.6
529.28613	0.2
648.70410	0.2
747.28046	0.3
994.07019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	35.8
75.74165	23.2
88.98833	45.2
100.14508	22.9
113.02406	42.9
115.28324	22.5
125.02432	31.1
160.27937	28.0
211.13443	49.0
223.13383	38.1
270.81812	26.1
293.21344	40.1
293.80548	33.7
300.99878	48.6
370.52411	27.1
392.21274	25.6
397.13184	31.2
471.34662	100.0
472.34998	66.5
484.46265	25.1
487.34366	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74886	25.0
69.44986	26.4
71.01395	38.2
71.60524	30.4
78.91868	26.2
82.57379	23.1
84.32943	24.2
84.33498	24.1
88.98812	100.0
89.02444	34.7
117.66386	23.1
133.92819	24.2
171.10327	34.0
201.11449	34.4
209.11758	24.5
225.11304	32.3
255.23273	53.9
304.61337	23.4
397.13187	65.7
415.14212	26.2
897.49982	35.2
983.47693	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.5
69.41447	0.8
71.01384	2.2
71.61855	0.7
72.99308	2.5
74.29013	0.7
78.86615	0.7
80.02637	0.9
81.03474	5.3
83.01387	8.8
83.05038	1.4
86.55016	0.8
88.98799	1.9
93.03445	4.7
95.01379	1.7
95.05033	5.9
96.68203	0.8
96.96033	2.9
97.02950	11.7
101.02428	1.3
101.73801	0.8
107.05043	1.0
108.02175	3.4
108.06203	0.9
109.02960	32.9
111.00921	1.0
111.04523	0.9
113.79106	0.8
119.01227	0.9
121.02957	7.2
121.06594	1.0
122.03706	2.2
123.00913	1.0
123.04538	22.3
124.04843	0.7
125.02454	26.1
125.09644	0.9
126.02806	0.9
133.02943	1.3
135.04524	5.4
137.02452	27.5
138.03224	0.9
139.04010	6.5
143.05013	1.2
145.02927	2.8
146.03748	3.1
147.04536	1.9
149.02460	9.2
150.03206	2.9
151.04021	11.8
154.02730	1.0
156.37186	0.8
159.04549	6.4
160.05284	2.8
161.02457	5.3
161.06064	9.7
162.03203	3.6
163.00388	4.0
163.04013	3.2
164.01135	6.9
165.01923	11.2
165.05556	2.1
166.02736	1.1
167.03537	4.2
169.01392	1.1
173.02434	0.9
173.06061	1.3
174.03200	1.4
175.03981	6.6
175.07597	3.7
176.01157	1.3
177.01939	5.1
177.05513	1.7
178.02731	1.2
179.03502	10.7
180.04263	1.0
183.04359	0.9
185.06035	2.8
187.04004	9.4
188.04768	8.2
189.01910	1.2
189.05527	1.2
195.06567	1.1
201.05511	1.8
202.06334	2.8
203.03549	1.9
203.05368	1.6
203.07150	24.5
203.09077	1.2
204.07448	1.4
205.05075	17.4
206.05338	1.6
209.08195	1.4
209.11842	8.9
212.04922	1.4
217.08601	1.6
221.08101	4.5
223.13467	1.2
227.07156	3.3
229.05034	1.2
230.05794	1.5
231.02834	2.3
245.08180	30.5
246.08612	1.7
247.06165	3.1
249.04070	1.2
260.00360	0.8
266.68457	0.9
271.06256	1.6
289.07190	100.0
290.07544	6.2
291.12308	0.8
300.99918	8.5
302.00464	1.0
347.07864	1.1
388.31354	0.8
456.54297	0.9
522.34430	0.9
582.44855	0.9
672.75061	0.9
749.36481	1.0
755.34235	1.4
809.36194	5.4
810.36768	1.3
917.38281	1.5
943.39203	5.2
961.40771	64.3
962.41217	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	954.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87822	100.0
70.25012	21.8
71.49538	19.7
85.75441	19.6
223.76866	20.4
279.02936	19.2
282.02505	24.9
679.32135	25.6
855.47253	22.3
925.04572	26.3
965.40106	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	957.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36103	1.5
71.05003	0.8
79.95731	2.1
91.41349	0.2
95.95226	0.3
96.96016	100.0
97.95945	0.2
98.19911	0.3
107.08681	0.2
115.86966	0.2
120.55646	0.1
167.14420	0.2
192.40582	0.2
211.13359	1.5
247.10049	1.0
273.08099	0.5
291.09088	70.9
292.09473	3.3
653.11829	0.2
660.66571	0.2
886.50983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49370	16.5
69.72219	100.0
79.95773	16.1
80.96500	74.3
145.32498	14.1
274.83374	16.3
545.51453	15.8
710.38562	60.1
863.34509	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	953.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51374	8.8
69.51795	7.4
71.01381	11.7
73.02947	3.2
79.95747	1.9
81.03446	1.9
83.05029	5.5
85.02937	2.9
87.00909	4.0
89.02464	11.5
97.02949	2.6
99.00798	1.9
101.02461	11.2
108.18600	1.9
111.08159	4.5
113.02453	7.1
116.21170	2.1
116.92866	27.2
117.01950	4.1
119.03513	3.8
125.02465	7.3
143.03517	2.4
155.10794	2.1
161.02544	2.5
161.04507	2.5
163.11266	4.2
179.05583	4.5
197.11810	24.1
199.13159	2.8
207.10304	2.1
209.11841	86.3
210.12216	4.2
211.13400	6.2
223.13342	2.4
227.12932	18.2
235.08240	5.2
291.19601	11.2
300.99969	4.5
305.08798	2.3
309.20743	100.0
310.21158	5.9
323.09393	1.9
379.12515	4.7
397.13495	69.4
398.13962	5.2
415.14621	19.2
437.24323	2.3
581.96997	2.0
607.26355	13.5
689.34705	4.8
707.35419	4.2
899.46387	4.9
953.45496	41.5
954.45673	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	951.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.8
71.01388	49.4
72.99305	2.0
73.02953	4.7
80.02669	2.0
81.03468	3.2
83.01382	3.3
83.05031	6.5
84.02164	1.6
85.02962	9.4
87.00887	6.3
89.01915	1.2
89.02447	19.0
93.03476	1.1
95.01387	1.1
95.05015	2.6
96.96022	2.7
97.02963	5.5
97.06612	4.1
97.46322	0.7
98.20656	1.7
99.00885	2.4
99.04547	0.9
101.02454	18.0
104.59889	0.8
107.05052	1.0
109.06586	4.7
111.04509	1.3
113.02459	9.8
119.03506	5.3
121.06579	1.0
123.00834	1.2
125.02474	7.7
125.09688	3.1
127.11287	3.2
135.04411	1.0
135.08151	1.9
143.03511	3.5
149.04547	1.3
155.10738	2.6
161.04535	3.7
161.09778	1.0
163.11319	9.7
165.05588	1.2
165.12834	4.9
167.10928	0.9
171.10291	28.3
179.05659	6.8
181.12358	2.8
183.13893	3.7
185.04356	0.9
185.11803	2.9
191.10767	1.6
193.12283	1.0
197.11841	1.3
199.13501	1.1
201.11343	10.9
207.10245	12.3
209.11838	99.7
210.12268	4.0
211.13391	17.4
212.13564	1.0
215.12926	1.1
221.06613	3.1
221.11810	2.1
225.09178	1.7
225.11324	25.9
227.12874	12.1
229.14462	12.6
235.08226	5.6
239.12915	2.0
243.12367	2.0
247.20645	0.9
253.09288	1.8
263.07831	1.3
287.07883	1.2
291.19821	4.7
300.99933	1.4
307.19104	4.9
309.20721	8.4
323.09845	1.0
327.21768	100.0
328.22141	9.5
397.13516	40.3
398.13864	2.1
415.14606	18.4
416.14728	1.4
457.15836	1.1
481.31906	1.4
552.38708	1.1
569.24353	1.3
605.24896	2.3
623.25519	4.5
641.26422	1.3
699.80322	0.9
707.35052	3.2
725.36102	2.8
759.39569	1.0
933.46741	5.7
934.46509	1.8
951.46576	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	951.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14700	3.1
83.65221	0.7
95.01392	1.9
107.00171	0.8
117.03499	1.4
119.05071	0.9
123.00920	1.7
125.02464	2.9
129.03444	0.9
133.02957	1.8
145.02977	4.1
147.04529	2.7
149.02402	0.9
157.02922	2.5
159.04494	1.7
161.02446	3.0
163.04012	3.2
168.53311	0.7
172.01660	2.2
173.02419	5.8
175.04068	3.7
176.01059	0.8
177.01932	1.7
185.02444	3.9
189.01917	4.3
190.02670	4.8
191.03525	4.1
193.01448	0.9
199.00322	1.4
200.01135	3.0
201.01950	9.2
202.02602	1.5
203.03499	7.3
204.03903	0.7
205.01460	2.0
213.01990	1.7
214.02686	1.1
216.00584	1.6
217.01395	5.3
218.02182	2.5
219.03027	1.4
226.99875	3.0
227.03358	0.9
228.00661	2.6
229.01442	16.4
230.02164	2.9
231.02951	7.2
242.99329	1.6
243.02986	1.6
244.00110	2.3
245.00882	9.3
246.01700	1.5
247.02422	5.8
248.03151	2.1
249.04021	7.9
256.00076	1.1
257.00940	11.3
258.01639	3.8
259.02393	1.3
261.00360	1.2
267.02893	1.0
270.98898	4.3
271.02118	0.9
271.99597	2.4
273.00412	7.9
274.01202	13.8
275.01974	36.8
276.02405	1.2
283.99609	5.4
285.00168	1.9
287.01907	1.3
288.02704	1.4
290.00677	1.3
296.02805	1.0
298.98328	7.7
299.02057	2.0
299.99155	21.3
300.02496	1.0
300.99902	100.0
302.00220	6.1
303.01382	1.0
309.04153	1.0
311.02124	1.5
312.99826	0.9
314.00665	1.2
315.01428	1.4
325.03397	1.2
327.01367	1.9
328.02008	1.0
337.21954	0.8
340.02106	1.0
341.03098	1.6
343.01035	1.4
353.03113	1.0
355.00812	0.9
367.00803	1.5
369.02423	1.0
381.02560	0.9
395.81580	0.7
399.03699	2.1
421.04297	0.8
423.03082	0.9
425.01480	6.0
436.06628	0.8
479.04861	1.4
480.05847	1.5
481.06213	3.4
543.07312	1.1
587.07086	2.5
605.07996	7.7
606.08197	1.4
619.96149	0.8
631.05878	7.1
632.06104	1.5
644.87085	0.8
648.17603	0.7
649.06793	21.3
650.07184	3.1
721.27917	1.0
735.04724	0.9
745.03339	3.1
746.04102	1.3
763.04486	3.3
764.04797	2.4
765.05194	1.3
781.05200	1.7
782.06537	5.8
783.06885	13.4
784.07013	1.9
803.46729	1.0
907.08667	14.6
908.08496	3.9
909.24097	0.8
933.05505	1.1
951.07758	1.8
958.35077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70502	75.8
69.70930	100.0
71.01371	44.7
80.96505	69.7
102.24648	24.1
166.94310	23.3
204.48227	25.9
242.73434	26.6
255.23251	64.3
280.34665	27.0
397.13498	35.1
619.99487	31.9
942.45764	64.3
943.45673	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54363	35.8
69.54794	48.6
71.01399	17.1
79.95752	28.9
80.96533	56.9
84.83771	12.1
94.35340	11.0
94.98058	12.4
96.96025	35.5
97.02953	11.2
100.14446	12.2
114.61111	13.1
115.90187	11.9
116.92873	100.0
207.10297	27.9
207.69614	12.7
225.00778	14.1
225.11320	18.0
255.23218	22.1
315.69089	12.7
397.13510	17.6
540.96466	11.5
800.39667	13.0
942.44556	51.5
943.45874	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30978	3.1
96.95994	0.7
110.33301	0.3
125.02407	0.4
128.13940	0.3
172.01642	0.8
173.02457	0.5
185.02406	0.6
200.01126	0.9
216.00647	0.8
226.99966	0.4
228.00656	1.2
229.01401	1.2
244.00122	1.6
245.00745	0.6
257.00787	0.7
271.02612	0.6
271.99557	1.6
275.02310	0.4
282.98880	0.8
283.99570	1.2
287.01831	0.6
296.37543	0.4
298.98215	0.7
299.99094	54.3
300.99863	68.0
302.00232	4.2
305.06967	0.8
307.06754	0.6
316.02136	0.5
463.05164	100.0
464.05469	9.2
479.08313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86913	86.4
118.37640	16.4
123.26543	16.6
134.23413	17.2
172.58206	19.4
209.11897	29.6
275.01996	18.5
300.99945	47.8
465.52179	33.1
466.02640	41.4
471.34900	100.0
472.35016	30.8
553.61023	18.6
774.11322	19.5
853.51569	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	38.4
93.91604	19.7
98.20654	47.8
101.02488	31.0
108.47653	22.7
157.75694	20.6
209.11815	48.8
276.87155	27.6
300.99896	24.9
397.13412	55.5
398.13876	27.4
471.34726	100.0
472.34747	27.2
483.33047	23.2
560.17291	24.9
910.97101	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	951.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30822	8.6
82.13357	1.0
83.50161	1.0
95.01402	2.2
108.02386	1.1
109.88097	0.9
117.03496	1.5
118.50597	1.0
123.00884	3.0
124.01700	1.1
125.02445	3.9
143.66956	1.0
145.02953	2.8
147.04544	2.3
157.02901	2.0
159.04507	2.0
161.02393	2.2
163.03960	2.2
173.02438	4.6
175.04060	2.2
177.01961	1.6
185.02383	3.1
187.04010	2.2
189.01878	2.0
190.02946	1.1
191.03484	3.1
193.01494	1.3
201.01930	5.1
203.03497	7.4
205.01437	1.2
211.04143	1.6
213.01967	1.5
215.03477	1.7
216.00687	1.4
216.04196	1.3
217.01331	3.3
219.02893	1.3
221.04459	1.5
227.03496	2.7
228.00626	1.3
229.01440	9.8
230.02042	2.2
231.02986	7.9
232.03391	1.3
241.05083	1.3
242.02295	2.2
243.02887	2.5
243.99983	1.6
245.00940	5.9
247.02440	2.1
248.03241	1.7
249.03970	8.3
251.03455	1.5
253.01483	1.1
255.02818	1.1
256.03897	1.3
257.00925	6.5
257.04181	1.1
258.01685	3.0
259.02390	3.2
263.03598	1.1
267.02933	1.5
268.03604	1.4
271.02487	4.0
272.03098	2.0
273.00363	6.6
274.01172	10.4
275.01907	10.1
277.05054	1.3
279.02905	1.2
281.00906	1.7
281.04208	1.4
282.01874	1.2
283.02478	1.2
283.99600	3.7
284.03073	1.4
286.01263	2.5
287.01987	4.8
288.02814	6.7
293.04590	2.2
295.02457	2.4
295.06238	1.1
296.03232	1.7
297.00452	1.8
297.03940	2.4
298.01093	1.9
298.98624	2.0
299.01968	4.0
299.99057	6.1
300.02582	2.6
300.99918	100.0
301.03073	3.5
302.00372	7.4
302.03494	1.3
307.02524	2.1
308.03397	1.3
309.04062	2.9
311.01996	3.7
311.05417	1.4
313.00024	2.1
313.03442	2.4
314.00827	5.9
314.03937	1.6
315.01447	3.1
316.02298	1.3
317.02991	1.3
321.04086	1.7
323.01910	2.3
323.05588	1.9
324.02750	1.7
325.03448	3.3
326.00330	1.6
327.01416	7.4
327.04996	2.2
328.02228	4.5
329.02866	1.8
335.02051	1.8
337.03561	2.8
339.01450	4.1
339.05045	1.6
340.02179	3.7
341.02911	3.0
342.00159	3.4
343.00961	1.4
351.01358	2.5
351.05170	1.8
353.03116	3.5
354.03735	1.8
355.00873	3.4
355.04767	1.6
356.01526	2.5
357.02158	1.6
365.02820	2.6
367.00681	2.5
367.04669	2.1
368.01535	1.5
369.02469	3.0
371.04141	2.2
377.02734	1.4
379.00629	2.5
381.02502	3.7
393.02765	1.6
395.04080	1.4
397.06000	2.0
399.03671	10.2
401.05453	1.2
408.00793	1.2
421.02155	2.1
423.03580	2.8
425.01346	10.8
441.04742	2.5
443.02383	3.1
453.39368	1.3
459.05811	1.6
482.15146	1.1
525.07013	1.9
543.07709	3.3
569.05780	3.2
587.07227	7.9
605.07855	11.6
631.05835	36.9
632.06415	5.0
649.06854	81.3
650.07300	11.4
906.34583	1.3
933.05841	5.3
951.06793	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	935.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64400	9.1
82.21777	1.1
83.84722	1.3
98.20605	2.5
110.77558	1.3
120.99624	1.5
125.02408	3.3
151.00337	3.8
169.01424	1.6
169.98050	1.3
178.72685	1.3
178.99857	1.8
193.81326	1.2
195.72827	1.1
208.33177	1.3
211.26483	1.2
227.03448	1.6
227.07066	1.2
230.01947	1.4
243.02930	5.1
249.87691	1.3
254.02187	1.6
255.02945	12.7
264.21759	1.3
271.02441	35.4
272.02972	3.0
275.01883	3.1
300.02756	77.2
300.99854	5.3
301.03391	20.7
433.07693	100.0
434.08008	7.8
661.31061	1.5
859.30609	1.4
900.08020	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	935.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76748	0.3
69.03458	1.3
69.36900	3.4
71.01389	13.7
72.99301	1.0
73.02947	2.0
74.68887	0.3
80.02674	1.2
81.03460	1.6
83.01372	1.0
83.05031	5.6
84.02182	0.6
85.02956	5.6
87.00862	2.5
89.02451	10.0
91.46120	0.4
93.03443	0.6
95.01392	0.9
95.05022	1.2
96.96037	1.5
96.96958	0.4
97.02949	2.4
97.06594	3.3
99.00898	0.7
101.02451	9.2
109.06613	0.9
110.03749	0.4
113.02456	5.9
116.92892	0.7
119.03526	2.4
121.02956	0.5
123.00974	0.4
125.02462	3.9
125.06083	0.6
125.09753	1.0
127.11290	1.4
129.58897	0.4
131.03519	0.5
132.93819	0.4
133.87244	0.4
135.08159	0.4
137.02377	0.5
137.09747	0.8
139.03891	0.4
143.03528	1.6
149.04526	0.4
155.10793	0.9
155.14377	0.4
161.04570	2.2
163.11295	4.0
165.12854	3.4
167.14369	0.6
171.10286	10.3
172.10637	0.4
177.12798	1.0
179.05627	3.5
181.12332	0.5
183.13933	3.4
185.11864	0.7
191.10898	0.9
193.12355	1.1
197.11861	0.9
199.13484	0.5
203.10747	0.5
205.70128	0.4
207.10263	0.6
209.11835	62.1
210.12180	3.4
211.13391	17.5
212.13651	0.8
221.06685	1.6
221.11852	2.5
225.11278	0.6
227.12862	6.5
228.12996	0.5
229.14452	13.7
230.14902	0.6
235.08231	3.8
239.12921	2.0
247.20827	0.5
253.09319	1.1
287.07800	1.0
291.19681	5.1
292.20007	0.6
293.39233	0.4
302.00308	0.4
305.08774	1.5
309.20718	8.6
310.21179	0.8
323.10034	0.6
327.21774	100.0
328.22134	9.0
351.21887	0.6
397.13516	34.4
398.13892	2.3
415.14606	16.1
416.14667	1.1
517.08533	0.4
519.33307	1.5
520.33820	0.4
537.34351	0.7
607.25897	3.5
608.26727	0.5
657.13855	0.4
664.92010	0.4
707.34973	4.1
708.36078	0.5
725.35876	3.3
726.36475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	61.3
71.61478	1.8
71.61868	1.0
72.99333	1.0
73.02961	3.0
74.88246	1.1
78.95905	2.4
80.02670	1.2
81.03446	2.0
83.05027	6.6
84.08099	1.1
85.02965	4.8
87.00894	2.9
89.02441	5.7
89.35211	1.1
93.03483	1.2
95.05015	1.5
96.96018	17.9
96.96992	2.8
97.02960	3.5
99.00889	1.6
101.02448	6.9
109.06594	12.8
113.02460	3.9
115.01588	1.1
116.92879	1.2
119.03532	2.0
123.00979	1.2
125.02484	3.7
125.09741	1.8
135.08159	1.8
143.03464	1.5
147.82387	1.0
161.02448	1.2
161.04599	1.9
163.11307	11.0
165.12885	2.0
169.01501	1.8
171.10281	20.3
172.10721	1.3
177.87262	1.1
178.02481	0.9
179.05547	1.4
181.08562	1.2
181.12410	2.9
183.13866	1.8
185.11880	3.4
189.09265	1.6
195.13933	2.2
197.11861	5.5
199.13435	2.6
201.11374	6.9
207.10284	29.0
208.10596	2.4
209.11839	100.0
210.12158	8.0
211.13342	3.7
213.15025	8.2
225.11330	23.7
227.12910	13.0
228.13159	1.6
235.08301	4.1
243.12280	1.9
245.08574	1.9
253.09299	9.6
268.09674	1.1
291.19800	1.3
300.99802	3.0
309.20926	1.7
327.21805	26.5
328.22116	4.3
343.21152	1.6
397.13489	6.9
399.21756	1.6
415.14764	2.5
417.22827	1.7
461.20300	6.9
619.01080	1.2
635.30658	4.3
653.31555	5.0
671.32959	8.7
672.33862	3.0
935.44757	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	935.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73967	0.6
70.74279	0.3
71.01376	0.3
79.95742	2.6
81.95309	0.3
90.08858	0.2
91.01951	0.3
91.83756	0.2
95.01387	1.2
95.95235	0.7
96.96013	7.3
98.95602	1.2
102.93240	0.3
104.29424	0.3
107.01382	0.4
109.02963	0.3
110.97607	0.5
111.00880	0.3
117.03462	0.6
119.05017	0.8
121.02921	0.4
123.00894	1.8
124.01645	0.3
125.02462	3.4
129.03458	0.7
133.02946	0.7
135.04495	0.3
137.02481	0.5
139.03902	0.3
145.02971	2.2
147.04500	1.4
149.02409	0.6
151.00304	0.3
151.04007	0.6
153.01816	0.3
157.02943	1.5
158.03769	0.3
159.04485	1.0
161.02435	1.0
163.00285	0.3
163.03995	1.6
168.00606	0.3
169.01448	1.9
172.01671	0.3
173.02448	3.0
174.03108	0.4
175.04039	2.1
177.01945	1.0
177.05605	0.4
179.03525	0.4
185.02454	3.9
186.02927	0.3
187.03984	0.6
189.01968	1.1
190.02722	1.0
191.03531	1.6
191.05499	0.3
199.00317	0.4
200.01169	0.6
200.76570	0.3
201.01932	4.7
202.02602	0.4
203.03488	4.2
205.01381	0.4
213.01935	1.0
216.00696	0.6
217.01476	1.7
219.02959	1.2
226.99887	0.7
228.00632	0.3
229.01434	8.4
230.02008	0.7
231.02963	3.6
240.00630	0.3
244.00082	0.4
245.00909	4.1
246.01488	0.5
247.02536	1.9
249.04039	3.6
254.99313	0.5
257.00922	7.0
258.01666	2.3
259.02432	1.2
270.98889	0.5
273.00430	2.4
274.01175	2.5
275.01971	17.8
276.02298	1.2
283.02338	0.3
283.99619	4.2
285.00659	0.4
287.01978	3.1
291.01465	0.9
298.98477	0.4
299.01776	0.5
299.99146	4.4
300.99887	100.0
302.00256	7.1
314.00943	0.3
315.01459	0.3
319.00745	0.3
323.01782	0.3
329.02820	0.3
331.00977	2.2
397.02405	0.7
440.07684	0.3
455.04276	0.4
455.10205	5.8
455.16467	0.2
456.10477	4.0
457.10226	4.1
463.05078	1.9
469.34409	0.3
481.06088	1.3
520.44446	0.3
615.05994	0.5
633.07294	15.9
634.07837	2.6
783.06183	1.3
784.07593	0.4
935.08002	8.8
935.27319	0.4
936.07867	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	935.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58282	4.5
69.58699	12.8
89.80299	2.7
95.01337	3.3
110.87018	2.2
117.03487	2.7
118.86514	2.3
119.05017	3.3
123.00867	7.1
125.02462	18.9
125.13483	2.6
132.78339	2.1
145.02936	5.2
147.04570	3.3
159.04547	6.0
161.02373	5.3
163.00395	2.7
169.01393	6.9
173.02328	3.6
175.04007	4.5
177.01935	4.6
185.02422	4.0
189.01897	3.3
191.03470	5.6
200.01201	2.7
201.01932	8.2
203.03439	14.1
213.01817	3.1
214.02579	3.5
215.03461	4.5
217.89241	2.3
227.03435	5.9
229.01399	15.8
230.02023	3.3
231.03040	15.9
243.03044	4.8
245.00935	5.6
248.03227	3.0
249.04021	23.7
253.01375	4.4
255.02829	2.6
257.00861	16.6
258.01541	9.5
259.02271	3.4
271.02426	5.7
273.00327	9.6
274.01202	12.7
275.01987	100.0
276.02274	7.1
286.00961	2.3
287.01877	6.9
288.02682	4.8
298.98587	4.6
299.01944	53.4
299.99030	8.4
300.02200	5.1
300.99960	78.4
301.03455	8.5
302.00177	9.7
303.01196	4.5
311.01944	3.2
312.02451	2.6
314.00558	5.0
315.01370	5.3
317.02997	10.2
329.03064	12.4
340.02158	2.4
341.02963	4.4
343.00790	3.9
349.03357	3.8
365.02847	7.4
401.04868	3.3
419.05945	4.0
425.01474	3.5
481.06256	4.7
571.07159	7.4
615.06183	5.1
632.06226	3.9
633.07117	40.0
634.07410	3.7
656.80927	2.5
659.05170	4.1
754.21985	2.5
783.06775	7.3
935.07886	22.0
936.07928	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	935.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48434	2.9
81.40165	0.8
87.05933	0.9
95.01386	2.9
107.01375	2.2
117.03439	1.0
123.00893	3.9
125.02455	11.5
131.05037	1.2
143.04991	1.1
145.02995	4.0
147.04521	2.8
150.03162	1.0
157.02971	2.9
159.04509	3.5
161.02423	1.2
162.03108	1.0
163.00560	1.3
163.04066	2.0
163.61667	1.1
165.01868	0.8
169.01422	6.6
169.02722	1.3
171.04515	1.8
173.02399	4.4
175.03987	6.2
177.01915	3.0
185.02402	5.9
187.03981	3.6
189.01884	2.7
190.99872	1.2
191.03520	4.0
193.01382	2.8
197.02394	1.7
199.04076	1.8
200.01259	2.0
201.01968	8.5
202.02725	1.5
203.03491	11.1
205.01447	1.6
211.03967	1.2
213.01854	2.1
214.02670	2.2
215.03535	4.1
217.01451	2.9
217.05103	1.0
218.02333	1.4
219.02919	2.6
227.03493	3.6
228.00555	1.5
229.01422	13.6
230.02046	1.3
231.02972	8.3
241.01572	1.1
242.02177	1.3
242.99358	1.3
243.03033	5.3
245.00993	4.6
245.04549	1.0
247.02489	3.0
248.03090	1.2
249.04007	15.9
253.01465	3.8
255.02951	2.4
257.00906	12.3
258.01663	8.0
259.02368	3.5
267.03040	1.1
269.00906	1.1
271.02423	7.9
272.02954	2.0
273.00464	5.5
274.01193	15.8
275.01974	100.0
276.02286	7.0
281.00854	3.7
282.01746	1.2
282.47040	1.1
283.02533	2.8
283.99524	1.9
285.00342	2.6
285.03897	1.3
286.01071	2.5
287.01944	5.9
288.02695	5.6
289.03476	2.0
291.01361	1.2
297.00305	1.6
298.01306	2.1
298.98862	2.1
299.01981	57.0
299.99097	2.8
300.02487	6.5
300.99963	50.7
301.03433	6.7
302.00198	4.1
303.01462	6.1
309.04099	2.3
311.02005	3.5
313.03430	1.3
314.00607	3.6
315.01532	5.0
317.02945	11.9
323.02121	1.3
325.03479	1.4
327.01434	3.6
329.03024	11.7
336.02802	1.1
337.03412	2.3
340.02185	2.0
341.03009	4.3
343.00711	1.6
343.04633	1.2
349.03580	1.2
353.03000	1.3
355.04572	2.2
359.04556	1.0
365.03049	5.3
367.04575	1.2
383.04065	3.7
401.05014	2.3
419.06216	3.8
437.06894	1.4
481.06345	1.9
571.07471	5.0
589.08295	1.5
615.06238	3.1
633.07257	29.7
634.07568	4.4
659.05383	4.6
761.10309	1.0
783.07190	2.9
861.59277	1.2
917.07526	1.6
935.07928	17.4
936.08362	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	933.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	41.6
73.02965	8.1
74.73534	2.5
78.95918	5.3
79.95759	4.2
80.96519	7.9
81.03522	3.1
85.02963	8.9
87.00890	8.3
89.02444	25.4
94.09319	3.3
96.96041	16.6
96.96956	5.4
97.02953	8.2
99.00886	3.2
101.02431	21.7
109.03006	3.0
109.06626	5.5
113.02454	17.0
119.03480	7.2
125.02481	11.9
140.91101	2.7
143.03563	4.3
155.10747	3.1
161.04585	3.2
163.11314	6.5
171.10277	87.6
179.05574	7.0
181.12346	3.1
199.09727	6.9
201.11290	24.9
207.10182	14.8
209.11737	3.2
221.06776	4.7
225.11311	48.8
226.11688	4.2
235.08261	8.9
255.23282	100.0
256.23691	6.9
291.19522	3.9
300.99814	3.4
305.08765	3.1
309.20737	3.3
352.86749	3.1
379.12491	26.9
397.13525	87.0
398.14020	6.8
415.14618	13.6
513.62189	3.4
551.23639	9.6
605.24084	7.2
623.25690	4.8
635.36359	8.9
653.37836	18.6
807.47882	3.7
835.46387	7.3
861.48480	31.1
862.48065	4.9
879.49475	4.0
897.50739	10.2
933.48785	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	933.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05022	0.7
79.95740	29.6
95.95235	30.9
96.96014	61.6
98.19888	0.5
99.00900	1.5
105.69320	0.2
111.08189	0.3
116.92195	0.3
122.97528	0.4
125.09721	1.4
127.71968	0.2
136.99153	0.4
165.12833	0.3
167.00215	0.4
177.02095	0.2
183.13948	1.4
184.00410	0.3
206.06184	4.1
206.25035	0.2
207.06825	1.0
227.12886	12.2
228.13200	0.7
238.05099	1.9
283.99817	0.3
285.00354	0.3
300.99872	3.2
307.08566	100.0
308.08878	6.4
316.02206	0.5
450.99356	0.8
500.22501	0.3
577.66565	0.3
625.14136	0.5
933.06256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.8
71.01389	78.4
72.99318	2.5
73.02953	8.0
81.03455	3.8
83.01382	3.9
83.05031	5.9
84.02169	1.9
85.02971	10.4
87.00880	10.3
89.02453	28.4
93.03418	1.6
95.01395	3.7
95.05025	4.5
96.96024	13.4
96.96981	1.8
97.02955	12.2
97.06608	2.6
98.20638	2.9
98.70562	1.4
99.00891	2.4
101.02451	27.4
105.09308	1.2
107.05038	1.6
109.06618	11.3
110.03757	1.9
111.04546	1.5
111.08141	6.9
113.02460	17.7
119.03520	7.0
123.08222	1.3
125.02444	14.8
125.06077	2.0
125.09729	8.4
125.10481	1.3
127.11267	4.9
135.08145	2.5
137.09720	4.2
139.07634	1.4
141.01979	1.9
143.03519	5.6
149.09702	1.9
151.11272	1.3
153.09242	1.5
155.10802	1.5
157.12228	1.4
161.04541	6.4
163.11301	14.9
165.09131	1.9
165.12872	6.7
167.10793	3.0
169.12395	4.4
171.10278	49.6
172.10568	1.7
179.05577	7.6
179.10806	2.6
181.12346	6.2
183.13870	2.0
185.11882	7.4
186.81853	1.2
191.10785	1.8
197.11835	33.9
198.12173	2.4
199.13512	2.8
201.11320	36.4
207.10277	27.7
209.11838	49.7
210.12070	1.9
211.13527	6.5
215.12869	5.1
221.06619	4.8
221.15495	1.7
225.11325	52.2
226.11600	3.1
227.12920	10.2
235.08182	8.1
243.12445	4.8
245.19138	3.2
247.20735	3.0
253.09349	3.2
263.07721	2.2
263.20096	4.1
287.07779	2.6
289.18073	11.3
291.19659	33.2
292.19989	3.9
305.08917	2.9
307.19025	9.9
309.20734	100.0
310.21146	10.1
323.09656	2.0
333.20599	1.4
341.23444	3.3
379.12436	4.4
397.13528	57.0
398.13992	3.3
415.14603	20.5
439.14908	3.1
457.15482	1.4
605.24377	5.0
623.25616	10.2
689.34784	1.6
707.35266	2.5
915.46155	9.6
916.46283	2.8
933.48114	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	931.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52928	22.1
71.01385	13.6
85.02968	3.5
87.00927	4.0
89.02451	13.5
101.02434	9.8
105.81770	3.3
113.02431	7.1
118.76416	4.0
125.02431	4.0
179.05621	5.4
184.59438	3.6
209.11855	100.0
213.26302	3.3
227.12914	22.9
235.08200	6.0
255.23271	42.6
287.07709	4.1
379.12488	22.1
397.13519	53.3
415.14520	10.2
455.35278	39.2
456.35703	5.6
589.24707	11.4
607.25836	8.4
635.36176	10.9
653.37744	14.9
773.67902	3.3
797.78687	3.9
845.48492	5.6
931.50781	43.7
932.49774	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	931.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80026	0.3
69.82464	0.3
71.01370	0.3
73.07182	0.3
87.61546	0.3
96.96008	0.3
125.02441	0.6
137.72574	0.3
145.02969	0.6
169.01413	0.4
173.02425	0.8
185.02400	1.4
201.01933	1.2
226.99686	0.4
229.01424	3.3
230.01636	0.5
245.00829	1.0
249.03941	0.4
249.24571	0.3
257.00916	1.3
273.00525	0.4
275.02206	0.4
283.99585	2.0
299.99112	5.0
300.99899	100.0
302.00241	7.4
303.49994	0.3
344.36166	0.3
420.07236	0.3
477.03128	54.9
478.03519	5.1
584.47150	0.3
731.02338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09739	1.7
68.99803	3.8
69.03451	4.9
71.01388	100.0
71.60756	2.6
72.99303	6.3
73.02943	6.1
75.00866	4.4
80.02682	1.9
81.03446	3.7
83.01393	5.0
83.05024	6.7
85.02947	12.0
87.00895	11.6
89.02454	24.1
92.28709	1.7
93.03460	2.2
95.01392	2.4
95.05038	4.1
96.96006	2.1
97.02959	16.1
97.06592	3.8
98.20400	2.8
99.00864	2.7
101.02452	26.8
107.05041	2.4
109.02930	3.7
109.06608	4.3
110.03750	4.9
111.04527	17.4
111.08164	5.4
113.02443	14.6
116.92741	2.2
119.03516	8.3
121.02963	2.2
123.04513	5.0
123.08153	3.8
125.02427	12.9
125.09712	11.0
129.01939	6.9
135.02977	5.8
137.09763	4.3
139.07622	2.5
141.01955	4.1
143.03505	6.5
149.09653	2.0
151.11270	6.4
153.09219	3.6
155.10771	5.1
161.04506	4.8
161.09727	11.4
163.07594	1.6
163.11272	6.0
165.12830	5.8
167.01791	1.7
169.12299	2.0
171.10277	46.9
172.10573	2.0
174.88924	3.0
175.02480	1.7
177.09074	2.1
179.05600	8.3
179.10757	14.0
181.12346	3.6
183.10251	4.9
185.11819	4.7
187.09727	1.8
195.10245	2.5
197.11827	19.4
199.09698	2.1
201.11311	6.6
205.08661	12.4
207.10291	9.5
209.11836	42.2
210.12088	3.2
211.13373	4.5
213.11313	7.5
215.13072	2.7
221.06577	3.1
223.09752	55.3
224.10088	2.3
225.11322	15.9
227.12906	5.3
235.08170	7.6
241.10776	4.0
245.19125	2.8
247.20731	2.8
263.20270	2.2
289.18100	7.7
291.19644	28.0
292.19827	2.8
294.02567	1.8
305.08810	3.6
305.17673	2.8
307.19095	10.3
309.20715	66.1
310.20947	5.3
323.18484	7.4
379.12299	4.5
397.13489	47.5
398.13699	4.0
415.14569	19.9
427.86240	1.8
471.41330	1.7
515.29700	1.9
569.24255	1.8
603.23218	4.6
621.24377	5.9
623.25476	1.9
650.09186	2.1
674.60858	1.8
689.34698	1.9
806.20142	1.9
887.42004	2.7
895.43274	2.0
911.49670	1.8
913.44275	19.6
914.44971	5.0
931.45746	18.8
932.45801	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	927.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64118	7.4
69.64524	19.4
71.01395	10.3
89.02441	10.6
101.02468	11.9
113.02428	6.1
138.87653	4.0
139.03967	4.2
142.59932	3.7
179.05667	6.2
206.59721	4.6
209.11841	100.0
210.12068	6.9
212.27341	3.5
227.12878	23.0
283.26434	52.4
305.08792	5.4
359.03806	4.6
379.12451	17.9
397.13562	81.2
398.13803	5.3
415.14578	16.9
569.67902	5.6
589.25763	6.7
607.25708	5.4
663.39600	6.9
681.40735	10.5
927.51105	40.1
928.50977	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	929.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.4
69.03427	0.3
70.30505	0.9
71.01387	1.8
72.99301	0.4
75.00853	0.2
79.01884	0.5
84.58619	0.2
85.02953	0.6
89.02440	0.5
89.07880	0.2
91.62521	0.2
95.01417	1.1
97.02995	0.3
99.00899	0.2
101.02435	0.5
107.01377	1.9
109.02950	0.3
111.00877	1.1
113.02450	0.7
121.02957	1.9
123.00894	6.6
124.01671	0.4
125.02455	8.9
127.00311	0.3
135.08167	0.3
136.98814	0.7
139.00394	1.8
140.00212	0.2
140.01158	1.4
141.01942	0.6
149.09770	0.5
151.00378	4.1
153.01985	0.3
163.04056	0.3
167.10783	0.5
168.00647	2.4
169.01437	12.8
170.01775	0.5
178.05617	0.2
191.03473	0.2
198.46811	0.2
211.02484	5.9
212.02797	0.3
249.06107	0.8
249.08498	0.2
271.02161	0.3
271.04593	7.1
299.99191	0.2
300.99911	0.9
313.05627	0.9
316.02274	0.4
371.09747	2.3
449.07043	0.4
481.16812	0.5
539.21198	0.9
555.21039	0.4
556.21149	0.7
557.22382	100.0
558.22723	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	930.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94716	11.9
69.29868	100.0
77.89127	12.7
125.02499	21.3
131.02530	14.4
178.54926	11.8
209.11827	12.9
300.99893	50.6
339.89322	13.7
492.27820	13.8
529.48108	13.9
931.36102	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	927.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67739	2.5
70.17232	0.5
72.56199	0.5
73.36007	0.5
75.53587	0.4
75.57236	0.5
76.23232	0.5
80.18096	0.5
95.98936	0.5
96.04899	0.5
105.79649	0.4
107.01427	0.6
124.01687	1.6
136.01666	0.7
137.02438	1.1
145.02933	0.7
147.04463	0.5
150.99243	0.9
151.00360	4.9
153.97568	0.5
157.02942	0.6
163.00357	0.8
164.01184	0.9
173.02580	0.8
178.99860	5.2
185.02432	1.4
201.01929	1.1
203.03549	1.0
214.02684	3.8
227.03476	0.5
229.01414	2.2
242.02228	3.8
243.02942	2.0
245.00914	1.5
257.00964	1.1
259.02515	3.7
270.01694	4.4
271.02481	24.4
272.02814	1.6
283.99634	2.1
287.01990	14.9
287.05200	0.7
288.02560	1.6
299.99252	2.3
300.99918	41.7
302.00201	3.5
315.01498	1.5
316.02249	73.9
317.02737	8.2
489.80289	0.5
503.28027	0.6
504.92148	0.7
625.14124	100.0
626.14545	15.0
748.33197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18285	0.7
71.01394	0.5
83.04987	0.2
87.00872	1.0
88.00415	0.6
88.98815	100.0
89.02451	1.1
89.99168	0.9
96.96009	0.3
101.02467	0.3
115.81350	0.2
125.02454	0.7
149.02406	0.4
150.03220	0.5
160.01703	0.2
161.02522	0.3
163.79272	0.3
165.01942	0.4
165.05621	0.3
169.01344	0.4
175.03964	0.2
191.29140	0.2
198.93810	0.2
209.11842	3.8
210.12169	0.4
221.95578	0.2
227.03580	0.2
227.12968	0.5
249.03925	0.3
300.99924	0.8
302.00357	0.2
310.96350	0.2
331.20187	0.2
397.13541	0.9
607.63483	0.2
925.40973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72073	100.0
98.19856	20.4
135.19991	14.9
209.11833	34.4
210.12148	28.1
256.23636	25.5
404.18420	18.3
491.59293	20.4
822.12347	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	926.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18978	29.1
90.97649	28.1
97.24104	32.7
98.19849	100.0
103.18225	31.5
209.11728	46.9
396.08487	36.3
660.30463	39.9
883.50830	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50600	0.7
69.51018	2.3
70.20254	0.4
72.39083	0.4
77.03935	0.4
96.96030	0.6
97.08213	0.4
98.19848	0.5
107.01397	0.8
121.93078	0.5
123.79871	0.4
124.01673	1.5
133.02917	0.5
137.02406	0.8
145.02956	0.5
151.00409	4.5
152.01169	1.0
157.02910	0.4
161.02470	0.5
163.00371	0.9
164.01215	1.0
168.44878	0.4
169.01311	0.6
173.02484	0.9
178.99887	4.8
185.02469	2.0
189.01932	0.5
201.01941	1.6
203.03574	0.6
204.04239	0.4
213.01932	0.5
214.02715	3.9
215.03381	0.7
227.03575	0.5
229.01471	2.5
242.02184	3.3
243.02899	1.8
245.00949	1.2
257.00952	0.9
259.02402	3.4
270.01727	4.9
271.02475	24.6
272.02783	1.8
283.99628	1.5
287.01965	14.9
288.02640	2.1
299.99066	2.3
300.99884	38.8
302.00293	2.6
315.01477	2.0
316.02231	71.4
317.02670	8.7
326.41315	0.4
438.11206	0.4
447.05411	0.6
625.14093	100.0
626.04303	0.7
626.14453	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95864	0.5
71.01376	1.2
71.37477	0.9
82.36293	0.3
85.02957	0.4
89.02428	0.7
96.96005	1.6
98.20602	0.4
101.02451	0.7
107.01401	1.2
108.61058	0.4
111.00924	0.4
113.02447	0.5
119.05032	10.4
123.00885	2.3
125.02457	8.6
137.02409	0.8
137.64622	0.4
139.00354	1.1
140.01123	0.4
145.02960	0.6
151.00359	1.6
161.02235	0.4
163.04018	5.7
164.04359	0.4
168.00618	0.7
169.01437	14.2
170.01753	0.5
172.01689	0.6
185.02502	0.5
188.01155	0.5
200.01176	1.0
201.01871	0.6
211.02463	1.6
216.00685	1.5
229.01263	0.8
244.00183	1.2
245.00856	0.4
257.00864	0.9
265.09232	0.4
271.04590	0.6
282.98755	0.6
298.98343	0.9
299.99118	100.0
300.99838	42.5
302.00272	2.8
309.10229	0.5
313.05655	7.3
379.15891	0.5
385.11450	0.5
431.15460	1.8
433.11496	1.8
447.05719	87.8
448.06018	9.1
477.03271	3.7
477.10361	48.7
478.04358	0.7
478.10648	6.3
493.16968	1.4
497.85052	0.5
537.19714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67896	1.0
69.68325	1.9
70.21204	0.4
71.01382	4.6
72.99335	0.5
73.02929	0.4
83.01373	0.7
85.02960	1.0
85.06597	4.6
89.02461	3.6
95.01404	0.4
101.02427	3.6
107.01399	1.6
109.02968	0.7
111.00924	0.6
111.89849	0.4
113.02454	1.7
113.06108	1.7
115.07642	0.6
119.03496	2.1
123.00887	1.2
124.01682	1.1
125.02447	6.7
127.07606	0.5
131.07147	22.8
132.07500	0.9
136.98947	0.4
137.02444	1.2
139.09976	0.4
151.00380	3.9
163.00423	0.6
164.01152	0.9
168.00682	1.1
169.01424	7.7
173.08185	0.9
178.99927	2.0
203.03328	0.7
211.02454	2.8
214.02762	2.8
223.47627	0.4
242.02184	2.7
243.02840	1.0
255.54732	0.5
259.02423	2.5
270.01630	2.9
271.02322	13.9
271.04736	2.7
272.02759	1.3
287.01996	8.9
287.05139	0.7
288.02484	1.2
293.12445	35.6
294.12866	2.2
299.99109	14.4
300.02515	0.6
300.99796	5.7
302.00269	0.8
313.05719	1.0
315.01489	11.3
316.02243	47.2
317.02869	9.7
433.04276	2.5
445.13513	100.0
446.13892	10.2
479.08282	45.2
480.08643	5.6
491.04669	9.1
492.04944	1.4
910.50049	0.5
953.25061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48714	11.2
71.01393	30.4
71.61115	19.3
80.96526	13.4
101.02449	12.5
116.92870	17.6
117.06239	10.8
143.85968	10.3
173.59377	11.3
207.10208	17.1
209.11847	100.0
210.12177	41.4
227.12813	12.3
255.23325	80.2
256.23730	39.3
379.12210	14.7
397.13501	38.2
398.14227	12.1
427.16733	11.9
697.82129	11.8
864.49396	15.9
943.89380	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	925.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61882	0.4
71.01391	2.3
71.40650	0.4
85.02940	1.7
87.00877	0.9
89.02451	0.8
96.96010	0.7
99.00862	0.6
113.02444	1.8
117.30390	0.4
118.43923	0.5
120.99575	0.5
125.02437	1.7
131.07144	2.4
134.16081	0.4
135.04509	0.5
136.01735	0.4
137.02428	1.0
151.00313	0.6
161.02380	0.4
169.01402	2.2
172.01605	0.5
178.99974	0.5
191.30940	0.4
200.01012	0.5
211.02475	1.2
214.02632	0.8
216.00494	0.6
229.01518	0.6
242.99548	0.5
244.00137	1.2
249.03940	0.6
249.06255	1.0
257.00769	0.6
267.07217	4.1
270.01834	0.5
270.99686	0.6
271.02014	2.0
271.04691	1.2
271.99631	0.6
275.01901	0.8
283.99847	0.5
287.01981	1.4
293.12399	3.4
298.98444	0.7
299.99106	100.0
300.99713	18.3
302.00262	1.1
314.00717	0.5
315.01462	74.7
316.02087	13.7
317.02795	1.6
385.11407	6.7
433.04102	11.8
434.04312	1.3
445.13470	10.2
446.13812	1.0
479.08307	11.5
480.08762	1.0
491.04672	66.3
492.05054	8.7
537.19031	0.5
539.21289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.5
71.01391	17.1
71.61356	1.6
73.02950	1.4
73.11237	1.3
80.96548	1.7
81.03493	2.1
83.01385	1.3
83.05038	3.8
85.02972	4.8
87.00883	4.4
89.02446	11.6
95.24362	1.4
97.02956	3.0
101.02453	13.9
103.90506	1.4
109.06618	1.7
113.02458	6.3
116.92814	2.5
119.03502	4.2
123.05635	1.5
123.38348	1.4
125.02431	5.5
141.10655	1.3
143.03545	2.3
161.04587	2.8
163.11322	4.8
165.12943	2.9
179.05634	4.3
207.10280	4.4
208.10611	2.0
209.11856	100.0
210.12158	4.5
225.11177	2.1
226.31081	1.4
227.12886	10.2
228.13205	2.1
235.08246	5.2
255.23320	64.2
256.23581	4.9
287.07657	1.8
305.08737	2.5
379.12405	15.1
397.13547	44.9
398.13815	4.7
415.14536	8.0
458.96735	1.5
589.24652	4.1
607.26160	3.9
635.36548	2.2
653.37585	4.9
863.49103	3.9
892.50818	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	924.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	71.3
71.61417	64.9
73.80408	41.2
76.99404	43.4
101.02434	44.7
142.81958	41.5
165.95802	36.0
207.10271	72.7
255.23291	100.0
344.50748	37.9
445.18579	43.8
635.01715	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.502
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53958	67.0
68.55972	57.3
70.86310	63.3
71.61024	100.0
71.61388	73.3
109.02578	64.6
111.37325	71.8
116.92881	65.5
149.59436	69.6
253.66611	79.7
551.94897	69.2
756.68402	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15871	0.4
64.53124	0.4
65.00336	0.6
71.01379	0.4
74.72250	0.3
79.95741	0.8
83.01398	1.7
96.96025	0.7
107.01399	1.2
109.02946	1.3
112.82729	0.4
121.02937	0.8
123.04559	1.9
124.01655	0.8
125.02457	44.4
126.02810	1.3
127.02888	0.5
135.04529	3.3
136.04866	0.5
137.02425	1.1
139.03928	0.7
145.02951	0.4
147.04486	0.6
149.02477	2.3
150.03123	0.7
151.00381	5.1
151.04001	5.5
152.01207	2.4
153.01942	4.6
159.04524	0.4
160.88272	0.3
161.02420	1.1
161.06068	0.4
163.04008	0.4
164.01285	0.4
165.01926	1.1
169.01447	1.1
174.03209	1.3
175.04022	8.2
177.01950	11.1
178.99866	6.5
181.01418	0.7
188.04750	0.5
189.05525	2.2
193.05063	0.7
199.03972	4.8
200.04396	0.4
201.01938	1.2
213.05533	1.0
216.04300	0.6
217.05061	4.1
218.05438	0.4
219.02930	0.7
230.99699	5.4
231.06653	0.6
241.05063	3.9
242.02150	0.4
243.02979	1.1
249.03998	0.4
257.04654	1.0
259.06110	3.3
275.02484	0.5
275.05548	4.2
282.78476	0.4
285.04068	37.7
286.04401	3.2
287.01758	0.4
299.37381	0.4
300.02835	0.8
300.99924	1.5
301.03259	0.6
301.07117	0.6
302.07367	0.5
303.05118	13.1
304.05429	1.1
343.71545	0.4
381.02759	1.8
382.02991	1.0
383.00784	100.0
384.01120	10.1
385.00833	3.7
386.01093	0.5
431.27142	0.4
459.18851	0.6
463.08926	0.7
488.04355	0.5
595.12970	0.8
761.76007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	23.2
73.02966	2.6
81.03464	4.5
83.01392	1.7
83.05039	1.8
85.02956	7.5
87.00868	5.4
89.02435	17.7
93.92648	1.8
97.02936	10.0
99.00885	13.4
101.02451	17.4
107.05000	2.1
109.06594	27.2
113.02456	10.6
116.92871	11.4
118.03769	2.0
119.03522	2.8
121.06584	2.1
123.08043	2.1
125.02478	8.6
125.09710	2.1
130.60126	2.0
135.08200	3.6
161.04599	4.6
161.09711	2.6
163.11285	18.3
179.05621	3.5
181.12370	12.0
207.10268	96.4
208.10583	4.9
209.11829	5.0
221.06531	3.8
225.11327	65.4
226.11699	3.4
235.08188	5.7
243.12370	14.9
255.23303	69.6
256.23633	5.3
287.55341	1.9
305.08823	2.1
314.33395	2.1
344.61801	1.9
379.12552	9.3
397.13574	36.4
398.13806	2.8
415.14392	10.2
587.23352	2.6
605.24573	15.2
623.25623	11.4
632.82672	2.3
861.48560	100.0
862.49261	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	921.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	30.1
71.60262	2.4
71.60622	3.1
73.02922	3.5
81.03446	3.5
83.01400	4.3
83.05025	3.2
85.02950	6.4
87.00866	5.6
89.02447	21.6
95.01364	2.8
97.02940	10.3
99.00864	2.9
101.02460	20.7
109.06596	31.2
110.03754	2.4
111.04540	2.1
113.02463	13.2
116.31879	2.1
119.03497	5.8
121.06654	2.4
125.02418	8.7
129.75177	2.0
135.08125	3.3
141.01971	3.1
142.02728	2.9
143.03569	3.4
161.04491	3.8
161.09663	2.8
163.11313	18.4
179.05669	4.5
181.12379	2.6
189.09305	2.6
207.10271	100.0
208.10646	3.4
225.11319	35.0
235.08235	6.4
255.23300	89.6
256.23709	4.4
305.08746	2.5
379.12515	10.7
397.13489	59.2
398.13889	3.4
415.14639	11.3
470.66693	2.2
503.96304	2.6
605.24249	7.8
623.25470	4.7
653.37653	4.4
668.11212	2.8
861.48523	71.5
862.49078	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08501	3.7
84.50459	1.0
95.01391	2.8
98.19966	1.3
100.87510	0.8
117.03471	1.9
119.05019	1.2
123.00912	5.3
124.01683	1.2
125.02460	8.5
128.41925	0.8
130.04306	1.1
133.02937	1.6
145.02968	5.1
147.04532	4.0
157.02925	2.0
159.04488	2.2
161.02444	4.0
163.03996	3.3
169.01480	7.2
173.02403	4.2
174.03244	1.5
175.04028	4.4
177.01921	2.9
185.02472	5.2
187.03984	2.6
189.01900	3.4
190.02849	2.1
191.03490	3.3
197.06244	1.0
199.03923	0.9
200.01129	1.0
201.01900	7.8
202.02585	2.6
203.03502	11.7
204.03839	1.4
205.01353	1.1
213.01924	3.6
213.05376	0.9
214.02585	1.7
215.03448	3.3
217.01375	4.2
218.02034	1.6
219.02888	2.2
221.00809	1.7
223.03917	2.0
225.05496	1.6
227.03520	1.6
228.04428	1.4
229.01425	13.3
230.01912	1.1
231.02956	10.9
239.03520	2.1
241.05093	1.3
243.02846	2.1
245.00934	6.3
247.02466	2.4
248.02939	1.0
249.03998	14.6
252.04512	0.9
253.05054	1.4
257.00912	11.9
258.01569	5.5
265.05011	1.6
266.02051	1.2
267.03052	1.7
273.00363	3.8
274.01196	6.6
275.01968	62.5
275.99609	1.1
276.02228	4.5
277.04993	1.2
279.02997	1.1
281.04456	2.1
283.99582	2.5
287.01971	1.1
292.03665	1.4
293.04514	2.1
295.02667	1.7
296.03143	1.3
297.03964	2.4
299.99210	5.5
300.02094	1.0
300.99902	100.0
302.00262	7.4
307.02527	1.5
309.03973	2.1
311.05429	1.1
312.99847	1.5
313.03381	1.2
319.01059	2.2
319.06213	1.2
321.03955	1.4
323.01865	2.1
323.05344	1.4
325.03522	4.4
326.03955	1.1
327.04950	1.6
337.03494	2.0
339.05109	3.9
341.02917	2.5
341.06708	1.7
349.03268	2.2
351.01349	3.2
353.02982	2.6
355.04501	2.9
365.02997	3.2
367.04675	4.6
369.02377	3.4
379.04654	1.6
383.04037	1.3
393.02560	1.4
395.06378	1.4
419.00592	1.6
444.98605	1.0
451.06412	2.2
462.99521	1.5
469.07578	1.4
485.07031	1.7
487.08682	2.4
503.08112	4.6
513.07043	4.4
529.06134	2.4
531.07587	2.7
547.07239	2.2
831.06720	1.7
849.07770	4.4
859.08099	1.3
900.37445	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	919.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97843	0.7
67.01893	0.9
67.04351	0.8
71.01407	2.4
79.01892	0.8
83.01388	0.8
85.02961	0.8
95.01431	1.2
96.96027	3.5
97.02979	1.0
101.02434	1.4
107.01388	5.4
109.02897	0.9
111.00902	2.7
113.02432	1.1
119.05026	1.2
121.02969	1.2
123.00903	6.8
123.04502	1.4
125.02464	31.2
126.02809	0.8
135.04529	1.9
137.02441	0.9
139.00392	2.6
139.03954	1.2
140.01187	1.9
148.05339	14.3
149.05998	0.8
151.00372	6.0
151.03964	2.5
163.04034	5.3
163.07672	5.9
165.01947	1.2
165.05589	1.0
166.02768	1.2
167.03511	0.9
168.00656	3.4
169.01443	47.0
170.01768	1.7
175.03885	1.2
178.06352	4.3
179.03522	1.1
183.02991	1.3
193.01430	1.2
193.08687	5.3
194.08997	1.1
231.02940	1.7
245.00996	0.8
249.04146	1.6
275.01993	1.6
279.12482	1.4
289.07214	0.9
297.06216	1.0
300.99905	6.6
301.03351	1.5
302.00394	1.2
313.05707	12.4
337.02112	1.3
477.14056	100.0
478.14395	14.6
507.14944	1.9
789.63239	0.8
919.30493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.3
69.76288	2.4
71.01384	17.0
71.05013	0.7
72.99314	1.4
73.02950	1.8
75.63782	0.5
80.02676	1.2
81.03446	2.3
83.01395	2.1
83.05033	6.1
84.02168	0.9
85.02951	4.2
87.00883	2.7
89.02451	12.9
95.01405	1.1
95.05008	1.0
96.96020	2.8
96.96938	0.5
97.02931	2.7
99.00900	1.0
101.02444	12.2
109.02959	0.8
109.06622	0.8
111.00906	1.0
111.04517	0.6
111.08173	1.7
113.02465	6.4
116.16875	0.5
116.92863	0.5
119.03507	3.3
121.02952	0.7
121.10256	1.1
125.02448	5.3
125.06089	0.7
125.09737	1.6
131.03487	0.5
133.05084	0.5
143.03519	2.5
151.11230	0.4
158.68617	0.5
161.04567	3.5
163.11304	4.7
165.05629	0.5
165.12825	3.0
167.03563	0.5
168.15176	0.5
171.10266	15.9
172.10588	0.7
179.05592	3.5
181.12335	0.9
185.04463	0.7
185.11845	1.7
191.10754	0.6
195.13910	0.9
197.11853	3.2
198.03395	0.5
199.13455	1.0
207.10333	0.6
209.11832	100.0
210.12166	6.4
211.13406	25.4
211.15019	0.3
212.13826	1.6
221.06694	1.9
223.17056	1.9
225.11372	0.5
227.12891	16.2
228.13283	0.8
233.15462	0.8
235.08258	4.5
247.20752	0.6
249.04028	0.6
251.16566	6.7
252.16925	0.6
253.09433	0.9
259.08060	0.7
275.02206	0.9
287.07730	1.5
291.19666	36.3
292.19983	3.2
300.99933	1.1
305.08817	1.6
309.20752	14.9
310.21106	1.7
323.09860	1.7
379.12491	7.5
380.13068	0.9
397.13519	36.9
398.13922	3.6
415.14639	9.5
416.14908	0.7
492.12653	0.5
500.52560	0.6
513.10175	0.6
551.23627	0.7
569.24548	0.8
589.25037	1.8
607.25928	2.9
625.27594	0.8
647.14697	0.5
671.33466	1.5
689.34082	2.5
707.35071	0.7
881.45294	1.2
917.46796	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	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	3.4
69.42408	8.7
71.01389	34.6
72.99313	3.3
73.02949	9.0
80.02666	1.8
81.03460	2.9
83.01395	3.4
83.05019	6.0
85.02969	8.2
87.00877	10.3
89.02444	26.8
95.01380	3.8
95.05025	2.7
96.96043	1.4
97.02964	5.9
97.06549	1.6
99.00878	3.2
99.04513	1.4
101.02444	21.7
109.06611	5.3
110.03751	1.4
111.04542	1.1
111.08157	3.8
113.02444	14.2
119.03503	8.7
123.04533	1.2
123.73231	1.1
125.02446	11.0
125.09733	3.2
127.11283	3.8
131.03508	1.5
135.08139	2.1
139.03998	1.4
139.07642	2.1
141.01947	2.4
143.03500	3.9
151.11325	1.8
154.54657	1.0
155.10771	3.8
161.04535	6.7
163.07640	1.1
163.11278	9.1
165.09163	1.6
165.12852	2.0
167.10757	1.9
169.12308	1.6
171.10280	45.7
172.10605	1.5
179.05602	8.4
181.12358	5.3
183.10254	1.8
185.04613	1.0
185.11877	4.9
189.09256	2.0
191.10844	2.3
195.13950	8.2
197.11819	4.6
199.13425	1.5
201.11325	40.8
202.11714	2.2
205.12300	1.0
207.10303	20.2
209.09850	1.9
209.11839	44.9
210.12198	5.5
211.13396	2.6
215.12764	3.5
221.06671	3.9
223.13428	6.2
225.11322	51.4
226.11676	3.7
227.12880	7.2
235.08209	6.7
243.12361	5.0
253.09229	4.2
275.20093	7.9
287.07880	1.2
289.18161	1.4
291.19653	22.6
292.20041	1.5
293.21237	100.0
294.21616	10.7
305.08829	3.1
307.19247	1.8
308.19324	1.1
309.20734	4.9
311.22284	1.9
312.90585	1.1
323.09903	2.0
379.12488	4.0
397.13519	43.7
398.13940	4.4
415.14648	19.0
419.27670	1.1
439.14587	2.6
443.19113	1.2
457.15216	1.4
465.60751	1.3
498.92062	1.1
551.23340	1.7
569.24286	2.4
605.24707	4.8
623.25671	9.7
624.25745	1.3
691.36029	1.3
787.67871	1.1
899.46521	8.2
900.47186	2.2
917.47180	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	917.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45793	0.3
69.03464	1.3
71.01386	15.0
71.77176	0.4
72.46040	0.4
72.99308	1.4
73.02950	2.5
80.02685	1.7
81.03464	2.3
83.01391	1.5
83.05029	6.6
84.02174	0.9
84.05384	0.4
85.02951	3.9
87.00879	3.9
89.02449	12.1
95.01397	1.0
95.05036	0.8
96.96024	1.0
97.02956	1.9
99.00848	0.5
101.02447	11.3
109.06613	0.9
111.08161	8.2
113.02464	6.3
119.03501	3.6
123.00932	0.4
123.04552	0.4
125.02456	5.2
125.06091	0.8
127.07673	0.5
131.03532	0.5
135.08192	1.2
141.01964	0.8
143.03513	2.3
147.11824	0.4
153.12865	1.1
161.04596	2.2
163.11284	4.9
165.12840	2.7
169.12352	2.8
171.10284	0.7
179.05634	3.8
181.12343	1.5
185.04430	0.4
191.10799	1.3
197.11830	40.0
198.12170	2.6
199.13380	1.7
209.11832	100.0
210.12155	6.5
211.13399	5.4
212.13687	0.5
221.06664	1.5
223.17033	0.6
227.12889	12.4
228.13235	1.1
233.28610	0.3
235.08218	4.7
247.20618	0.4
252.10178	0.3
253.09250	0.9
263.07675	0.5
263.20255	1.5
265.18045	1.0
273.18570	0.9
287.07767	1.5
291.19678	12.1
292.20074	0.9
293.21112	0.7
305.08752	1.4
309.20721	66.4
310.21063	6.2
323.09836	1.0
379.12408	2.8
397.13501	41.9
398.13824	3.5
415.14560	14.3
416.14874	1.5
550.04694	0.4
607.26147	2.5
671.75800	0.4
689.33630	1.1
707.34735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	3.1
71.01387	44.5
71.05003	0.8
72.01686	0.7
72.99314	3.5
73.02953	7.6
76.63342	0.7
78.95901	0.7
80.02682	0.9
80.96508	1.0
81.03461	1.9
83.01400	3.4
83.05029	3.8
84.02176	0.8
85.02960	8.7
87.00874	7.3
87.40139	0.6
89.02456	19.1
95.01401	3.7
95.05040	2.4
96.96027	1.4
97.02946	5.6
97.06597	1.1
99.00883	2.7
101.02448	19.8
107.05014	0.8
109.06592	5.8
111.00920	0.8
111.04516	1.3
111.08144	2.8
113.02457	11.1
119.03500	4.9
120.43142	0.7
121.03004	1.0
121.06542	0.7
121.10266	1.4
125.01785	0.8
125.02476	8.0
125.09706	3.0
127.11311	3.6
131.03514	1.3
137.02437	0.7
137.09686	1.2
139.04004	1.0
139.07629	1.7
139.11340	0.9
141.01923	1.5
143.03516	3.3
149.09734	1.1
151.11292	1.3
153.09221	1.0
153.12872	0.8
155.10802	2.4
157.29210	0.7
161.04524	4.9
161.09712	0.9
163.11305	8.3
165.09117	1.2
165.12865	2.7
167.03462	1.0
167.10757	1.7
171.10275	36.8
172.10593	1.4
177.12766	0.7
179.05637	7.1
179.10728	1.7
181.12346	3.3
183.10306	1.1
185.11845	2.2
189.09279	0.9
195.13910	8.5
197.11897	3.4
199.13405	1.6
201.11328	28.0
201.13190	1.4
202.11734	1.4
205.12340	1.8
207.10283	17.9
208.10565	1.5
209.11830	36.8
210.12166	2.9
211.13351	2.5
215.12881	2.6
221.06633	2.5
223.13406	5.9
225.11327	39.0
226.11649	2.0
227.12973	5.6
228.13477	0.9
235.08195	6.2
243.12361	3.9
253.09264	2.3
255.17493	0.9
256.13217	1.0
265.21579	1.3
273.18756	0.7
275.02048	0.8
275.20200	7.9
276.20282	1.3
287.07599	1.9
291.19666	19.0
292.19983	2.1
293.21231	100.0
294.21512	9.8
300.99893	1.2
305.08740	1.8
307.19141	1.2
309.20712	7.6
310.21042	1.4
311.22229	3.0
323.09903	1.5
335.22125	1.1
379.12415	3.6
397.13495	44.8
398.13904	3.5
406.42474	0.9
415.14554	17.6
416.14935	1.5
439.14377	2.7
605.24109	3.4
623.25256	5.0
691.35071	1.1
733.36249	1.0
899.46289	7.5
900.46741	2.3
917.46954	3.9
918.47894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72635	0.5
68.99834	0.5
69.03447	1.3
69.70756	0.9
69.71162	2.5
71.01386	15.9
72.99310	1.1
73.02946	2.4
80.02690	1.3
81.03477	2.6
83.01389	2.5
83.05025	6.1
84.02193	0.9
85.02946	3.7
87.00892	4.3
89.02451	14.6
95.01383	1.6
95.05048	1.1
96.61847	0.4
96.96014	0.5
97.02964	2.3
99.00893	1.0
101.02444	12.6
107.42776	0.4
109.06616	0.8
110.53159	0.4
111.08168	8.9
113.02463	6.1
117.69992	0.4
118.02675	0.4
119.03511	3.8
125.02462	5.0
125.06099	0.8
127.07642	1.0
131.03522	0.9
135.08180	0.8
138.90991	0.5
139.03940	0.5
142.44646	0.5
143.03569	2.5
145.05061	0.6
151.11290	0.8
153.12837	1.0
161.04532	3.1
163.11307	4.6
165.12885	2.7
169.12357	4.2
179.05603	4.9
179.10854	0.5
181.12350	1.8
183.13986	1.1
191.10809	1.2
193.12263	0.6
197.11838	44.6
198.12259	2.7
199.13425	2.5
209.11838	100.0
210.12157	5.8
211.13402	7.3
221.06705	1.9
227.12903	14.8
228.13371	0.7
235.08275	4.9
253.09340	0.8
263.07773	0.6
263.20193	2.8
264.20480	0.5
265.18179	1.2
273.18631	0.7
287.07761	1.1
291.16583	1.0
291.19678	14.3
292.19971	2.0
305.08789	1.6
309.20734	85.6
310.21082	8.6
323.09747	0.8
324.25214	0.5
343.35876	0.4
379.12500	3.2
380.12662	0.9
397.13531	38.9
398.13681	2.3
415.08911	0.8
415.14587	15.7
416.14880	1.5
501.32364	0.7
607.26477	2.4
608.25726	0.5
689.34045	1.0
707.34888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.5
71.01391	54.3
72.99310	3.6
73.02940	5.6
79.95729	2.1
80.96539	1.9
81.03457	3.2
83.01376	4.5
83.05021	3.0
85.02959	8.7
87.00882	8.3
89.02460	23.4
89.64500	1.9
91.08044	1.7
94.36888	1.8
97.02938	9.6
99.00909	2.5
99.40956	2.0
101.02451	25.8
109.06606	34.4
111.04560	1.8
112.26613	1.6
113.02470	15.2
119.03526	9.8
121.06641	3.1
122.03276	1.9
125.02483	12.1
129.29002	2.1
135.08185	2.5
143.03496	3.4
161.04517	6.0
163.09969	2.7
163.11282	19.2
171.10265	8.1
179.05626	13.1
181.12318	6.1
185.04485	2.1
201.11317	2.9
207.10283	100.0
208.10585	5.2
209.11880	12.0
215.93672	2.0
221.06596	5.8
222.07030	1.8
225.11327	62.9
226.11642	3.2
227.12863	2.3
235.08290	8.5
235.21974	1.9
243.12405	4.4
253.09261	4.0
255.20590	4.0
255.23300	83.1
256.23608	5.5
379.12415	5.5
397.13535	59.5
398.13763	3.5
415.14618	20.7
416.14545	3.2
605.24841	9.0
623.25702	18.6
643.73749	2.3
694.10864	2.4
835.54425	2.4
861.48547	58.4
862.49017	20.0
915.46436	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.9
71.01388	18.5
72.99317	2.4
73.02961	2.5
73.30189	0.5
75.00852	0.8
77.51231	0.4
78.95931	0.6
80.02684	1.4
81.03458	3.1
83.01397	2.9
83.05035	6.5
83.15668	0.5
84.02168	0.8
84.29631	0.5
85.02950	4.7
86.82222	0.4
87.00886	4.7
88.98886	0.6
89.02449	12.8
93.03467	0.9
95.01390	1.5
95.05032	2.1
96.96010	1.4
97.02950	5.0
97.06578	2.4
98.20615	1.2
99.00895	1.9
101.01779	0.7
101.02452	11.7
106.08795	0.5
109.02947	0.5
109.06582	4.6
111.04526	0.8
111.08157	1.9
113.02454	7.8
115.00366	0.9
119.03511	3.8
121.02964	0.9
121.06640	0.6
123.04517	1.9
123.08135	0.8
123.33804	0.5
125.02457	5.8
125.06127	0.9
125.09753	3.6
131.03534	0.7
135.04498	0.6
135.08154	2.0
137.09695	1.6
139.04076	0.6
142.02728	0.7
143.02528	0.5
143.03456	2.5
145.10216	0.7
151.11253	1.0
159.25000	0.5
161.04604	3.3
161.09729	1.4
163.07578	0.5
163.11292	9.9
165.12877	3.8
167.10779	0.8
169.12320	0.7
171.10303	1.7
175.02507	0.8
179.05583	4.4
179.10736	0.7
181.12401	2.6
183.13860	0.6
185.11870	2.8
189.12848	0.6
191.10744	2.1
191.14366	4.3
197.11824	6.8
199.13310	0.5
207.10283	11.0
208.10660	0.5
209.11839	100.0
210.12166	5.6
211.13397	3.1
217.07079	0.7
221.06670	2.4
225.11336	8.1
226.11586	1.0
227.12894	16.0
228.13281	0.9
235.08220	3.1
237.11299	0.8
245.19151	7.3
247.16978	0.6
253.09288	0.8
263.07697	1.0
263.20178	3.4
270.61530	0.5
271.17233	0.9
281.21109	0.7
287.07843	1.1
289.18103	32.5
290.18475	2.5
291.19714	2.0
293.21368	0.9
300.99731	1.0
305.08734	1.6
307.19162	35.8
308.19543	2.7
309.20770	10.2
331.19061	0.6
379.12396	2.7
397.13531	28.3
398.13770	2.4
415.14658	11.3
416.15198	1.2
589.24872	1.0
605.25153	0.5
607.26056	1.8
612.57318	0.6
623.25653	1.3
687.32269	0.9
705.33441	1.3
799.37720	2.2
817.38275	0.6
879.43579	1.1
897.45044	1.9
898.46851	0.8
915.45941	8.9
916.45990	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	915.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99763	2.0
69.03467	2.1
71.01389	57.8
72.99319	2.0
73.02951	3.9
81.03468	2.5
83.01366	2.3
83.05034	4.5
85.02978	8.6
87.00887	6.3
89.02454	25.1
97.02937	11.3
99.00894	6.4
101.02460	27.8
107.35173	1.8
109.06609	30.7
110.03725	1.9
113.02481	13.9
119.03509	10.5
121.06599	3.6
121.47222	2.2
123.65903	1.9
125.02467	9.9
132.73227	1.8
135.08151	4.6
143.03517	6.4
161.04605	5.3
163.11314	16.9
171.10234	3.8
179.05588	8.9
181.12402	4.9
189.09193	2.4
201.11292	2.2
207.10280	95.7
208.10582	4.7
209.11813	8.5
221.06650	3.5
225.11330	50.4
226.11568	2.3
227.12994	3.0
229.60280	1.9
235.08244	9.1
243.12286	2.7
255.23309	100.0
256.23645	7.8
287.07938	2.7
319.15134	2.6
319.18658	2.0
328.45306	1.9
378.60922	1.9
379.12375	7.8
397.08234	3.9
397.13507	79.6
398.13684	4.5
415.14621	21.5
557.29260	2.2
605.24786	7.5
623.25409	6.5
861.48621	49.2
862.49164	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	914.388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42780	100.0
69.43188	30.7
71.01385	31.2
75.56802	14.9
77.75510	15.4
78.85616	14.0
89.02411	22.7
91.23379	17.9
96.95996	27.9
98.20662	28.5
113.02384	15.5
115.00385	16.5
125.02448	18.6
129.58875	15.1
175.02457	28.8
179.82565	13.5
207.10297	36.2
209.11858	83.5
225.11267	22.2
237.11494	16.9
300.99881	30.9
397.13464	33.5
833.37579	16.1
834.38397	25.7
906.50208	18.8
929.58875	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32709	2.7
95.01382	3.9
106.32782	1.3
117.03469	2.5
119.05017	1.7
119.86042	1.5
123.00893	9.6
124.01635	2.5
125.02439	8.4
131.05043	1.5
133.03004	1.7
145.02942	5.1
147.04529	4.5
149.02383	2.1
157.02904	1.8
159.04483	6.1
161.02434	4.7
163.00383	4.3
163.03976	4.2
164.01108	1.9
169.01405	1.3
173.02405	6.5
174.03185	1.7
175.03976	8.3
177.01936	5.7
185.02414	6.0
187.00377	2.1
189.01950	4.2
190.02754	2.9
190.99861	2.9
191.03526	4.0
191.85069	1.4
193.01346	3.0
201.01877	7.9
202.02573	1.4
203.03468	13.5
205.01453	1.9
213.01875	3.3
216.00656	2.4
217.01369	5.7
229.01439	11.5
231.02994	22.1
237.05521	1.9
241.01450	2.3
242.99419	2.7
244.00134	2.3
245.00867	10.9
247.02467	3.8
249.03998	44.2
250.04308	2.1
257.00928	8.2
258.01553	4.1
263.03369	2.4
265.05075	1.8
270.98859	12.4
271.99365	1.5
273.00400	16.7
274.01099	4.0
275.01953	30.5
276.02246	2.4
279.02908	2.7
281.04480	1.9
283.99533	2.4
285.00406	3.4
291.01331	8.0
293.04517	2.3
294.01505	2.0
295.02383	1.6
297.00473	1.8
298.01059	2.4
298.98398	13.6
299.01559	2.8
299.99115	27.4
300.99890	100.0
302.00314	7.3
304.03848	1.6
307.02304	1.6
308.03235	1.8
309.04053	3.7
312.99765	8.8
314.00613	14.0
315.01370	3.3
321.03973	3.3
322.01096	1.9
324.99854	2.7
327.01401	3.4
335.02017	2.9
336.02634	1.8
337.03391	3.8
339.98431	2.3
340.99277	14.1
342.00061	4.7
348.02814	2.3
349.03482	3.2
351.01297	2.4
352.02112	1.9
353.03021	1.9
365.02954	6.3
376.01791	1.6
379.00894	1.5
380.01855	1.7
381.02515	4.2
382.03244	2.1
391.00983	2.1
393.02435	3.0
398.02521	2.3
399.04462	3.2
403.00674	3.5
407.00110	3.8
415.04599	4.1
417.06155	1.8
419.00314	2.6
420.00961	3.2
421.01764	9.9
433.06296	1.9
437.01514	4.6
438.01993	2.2
443.03989	9.8
445.05536	5.0
446.99838	4.3
449.01501	5.8
451.02786	2.8
461.05182	3.4
465.00763	5.1
467.02545	47.6
468.02640	4.2
471.03555	5.9
472.04553	1.9
473.05154	3.4
474.99228	1.9
475.06747	1.7
487.03064	8.7
489.04575	15.8
490.05109	2.0
493.00485	60.7
494.00552	6.9
507.05283	8.1
509.03510	2.9
511.01364	5.7
515.02734	4.6
525.06384	3.3
533.03522	4.6
551.04572	5.5
569.05835	21.4
613.04828	12.4
718.89856	1.7
871.06549	5.1
872.06805	1.8
915.05280	8.6
948.57483	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	913.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	5.9
69.70454	5.2
71.01389	25.3
72.99303	3.2
73.02947	4.7
75.00858	0.9
81.03442	1.9
83.01391	2.8
83.05013	1.4
84.60400	0.8
85.02959	5.1
87.00899	5.0
87.91750	0.7
89.02454	21.0
93.03430	1.3
93.07107	1.0
95.01373	1.8
96.85014	0.8
97.02935	3.6
99.00892	1.4
101.02455	18.7
102.20255	0.8
109.06554	1.5
111.04482	0.8
111.08162	10.7
113.02468	10.3
119.03518	5.0
121.02992	1.1
125.02462	8.3
127.07630	1.3
139.04036	1.5
141.01860	1.1
141.09187	1.1
143.03499	2.0
149.04572	1.0
151.11301	1.5
151.77394	0.8
153.05626	0.9
153.12878	1.7
158.46278	0.8
161.04524	4.5
164.16692	0.9
167.10760	3.5
167.61162	0.7
169.12334	4.3
177.12894	1.0
179.05667	5.5
179.10762	1.7
179.14436	4.0
181.12328	1.5
183.13815	1.3
185.93600	0.9
191.14343	0.9
195.13919	11.5
197.11845	53.8
198.12148	2.6
199.13368	2.2
205.12328	9.9
209.11894	1.4
211.13405	8.3
212.13622	1.0
221.06659	2.2
223.13405	90.4
224.13760	6.6
225.11272	2.2
225.14879	0.8
227.12935	1.3
228.56738	0.8
235.08258	5.9
253.09332	1.8
263.20105	3.6
265.14551	0.9
265.18027	1.9
273.18744	1.1
291.19675	21.2
305.08749	2.0
309.20734	100.0
310.21133	9.0
323.09665	1.9
379.12344	3.6
397.13495	53.7
398.13785	3.7
415.14633	18.7
416.14584	1.5
515.33643	1.0
581.74506	0.9
603.26550	4.9
621.27673	16.0
622.27698	2.2
689.33704	2.9
707.34686	2.0
824.66760	1.0
913.46808	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	909.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	0.5
71.60123	0.5
74.99535	0.3
89.02438	0.3
89.02940	0.3
96.95989	0.8
98.48954	0.3
121.02972	0.6
123.00896	0.3
125.02468	1.9
138.81238	0.3
145.02979	0.5
151.04002	0.4
157.02937	0.8
161.02371	0.6
163.04073	0.4
169.01405	0.7
173.02455	0.7
185.02390	2.1
201.01936	1.2
211.02406	0.4
228.00623	0.4
229.01451	2.7
230.01559	0.4
245.00932	1.4
249.04108	1.1
257.01001	1.7
271.99530	0.4
273.00500	0.7
275.02011	1.1
283.99652	1.3
285.00354	1.2
299.99115	4.9
300.99899	100.0
302.00250	7.1
312.99899	2.0
314.00119	0.3
315.01633	0.3
337.02118	0.6
431.02698	1.7
431.11667	0.4
455.10275	1.0
477.03113	50.7
478.03528	7.0
869.65906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60738	0.7
103.19106	0.5
114.91897	0.4
124.01643	1.1
125.02444	0.5
132.02185	0.7
145.02910	1.1
151.00363	2.1
163.04149	0.6
172.01585	0.6
173.02431	1.2
178.12325	0.5
178.99869	1.9
185.02429	2.5
200.01202	0.5
201.01906	1.8
214.02701	1.4
216.00597	0.9
226.99826	0.6
229.01369	4.3
242.02203	1.6
243.02951	0.8
244.00133	1.4
245.00853	1.6
257.00824	1.4
259.02438	1.5
270.01755	2.3
270.99478	0.6
271.02475	8.9
271.99786	0.6
272.02844	1.1
273.00439	0.7
283.99640	3.3
287.01974	6.1
288.02478	1.2
297.62546	0.5
299.02475	0.5
299.99124	75.0
300.99881	100.0
302.00244	7.1
316.02249	34.8
317.02808	4.3
425.42188	0.5
434.90518	0.6
447.05710	70.9
448.05896	6.9
463.08801	8.5
464.09183	1.4
494.15939	0.6
602.51410	0.6
609.14600	43.2
610.14935	6.0
636.58289	0.5
736.48523	0.5
847.17670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36478	2.3
78.94374	0.2
93.29160	0.2
97.57265	0.2
132.02219	0.2
137.02440	0.3
151.00333	0.4
172.01607	0.7
173.02365	0.3
178.99818	0.3
185.02400	0.7
188.01167	0.4
200.01117	0.9
201.01866	0.3
214.02623	0.5
216.00609	1.1
226.99892	0.5
228.00652	1.4
229.01329	1.3
242.99278	0.4
243.99995	1.4
245.00795	0.7
257.00900	1.1
257.65762	0.3
265.00064	0.2
270.01611	0.6
270.99414	0.4
271.02499	2.4
271.99640	1.7
272.02438	0.3
282.43066	0.3
282.98773	0.9
283.99496	0.6
287.02011	1.6
298.98450	0.4
299.99106	65.8
300.37274	0.3
300.99854	62.3
302.00259	4.6
316.02213	6.4
316.05045	0.2
317.02872	1.4
433.04111	100.0
434.04453	10.2
479.08356	7.4
480.08807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.6
73.02948	0.9
78.95907	0.7
96.96004	2.6
98.19857	1.9
113.02467	0.8
116.92850	1.3
125.02471	1.3
135.04520	0.9
138.54456	0.6
165.05565	0.9
197.11877	1.3
209.11810	2.3
211.13461	1.4
225.11252	0.8
282.11700	0.6
300.99835	1.2
316.00882	0.6
316.21750	0.6
327.21750	2.6
372.02527	0.6
383.14825	0.9
397.13812	0.7
401.19666	2.8
443.31720	0.8
453.29993	3.7
459.34705	0.8
485.32712	9.1
486.33014	1.5
503.33850	100.0
504.34210	17.2
576.95648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43800	0.2
69.03468	0.2
71.01373	0.3
71.61003	0.2
78.95914	0.2
83.01401	0.2
85.02930	0.2
93.03477	1.2
95.01417	0.5
96.96038	0.6
96.96960	0.6
97.02991	0.4
107.01394	0.8
109.02921	0.4
117.03473	0.6
118.35763	0.2
119.05028	0.5
121.02978	0.2
122.55433	0.2
123.00879	1.3
123.04497	0.4
125.02457	6.7
126.02779	0.3
129.03424	0.3
133.02953	0.4
135.04518	0.5
137.02448	2.1
144.48262	0.2
145.02959	2.0
147.04568	1.0
149.02461	0.6
151.00311	0.6
157.02940	1.0
159.04411	0.4
160.01593	0.2
161.02441	1.1
163.04002	1.3
164.04759	0.5
165.01941	2.7
167.03470	0.4
168.00688	0.3
169.01437	4.9
173.02412	1.9
174.03084	0.3
175.04031	1.4
177.01956	0.4
179.03485	0.8
179.07130	0.4
180.04279	1.5
181.04791	0.4
181.87019	0.2
185.02458	3.2
187.03807	0.3
187.99802	0.2
189.01881	0.9
190.02690	0.5
191.03514	1.0
194.05681	0.2
195.02928	0.3
195.06642	2.0
201.01961	3.9
202.02429	0.3
203.03531	1.9
204.03720	0.2
205.01353	0.3
210.05341	0.4
213.01941	0.6
215.68123	0.2
217.01376	0.9
218.02101	0.4
219.02954	0.7
225.07649	1.7
226.08046	0.3
228.00659	0.6
229.01439	7.1
230.01816	0.7
231.02948	1.4
240.00490	0.3
244.00038	0.3
245.00926	2.2
246.01250	0.2
247.02495	1.0
249.04021	0.8
257.00934	5.4
258.01599	1.9
263.95874	0.3
273.00409	0.9
274.01157	1.2
274.53479	0.2
275.01987	17.2
276.02274	1.3
282.98914	0.3
283.99622	2.9
287.09174	0.4
291.01520	0.5
299.99094	2.8
300.99896	100.0
302.00235	7.7
319.00974	0.6
433.07822	0.8
465.58505	0.2
467.13400	0.7
488.14679	0.2
507.84427	0.2
523.21533	0.3
585.08875	0.2
603.09827	1.6
664.08368	0.2
735.08679	0.5
753.09509	2.9
754.10260	0.7
905.10687	6.6
906.11072	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	903.46
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85568	1.4
69.03476	3.0
71.01392	16.9
71.60725	1.9
71.67484	1.5
72.27756	1.9
73.02941	3.3
78.95889	3.2
81.03498	2.0
83.01384	4.1
85.02968	5.6
85.17615	1.5
87.00874	7.0
89.02462	9.5
95.01420	1.7
96.05923	1.7
96.96026	10.7
97.02972	2.2
97.06590	5.3
98.95570	1.6
101.02459	13.8
111.08147	5.7
113.02453	6.4
116.92892	9.3
119.03481	2.5
125.02441	5.0
125.09730	3.1
126.75419	1.5
139.04134	1.5
143.03525	1.7
151.11301	15.8
161.04550	2.1
165.12891	1.7
169.12361	60.2
170.12759	3.7
171.10249	8.4
187.39676	1.6
197.11832	23.9
199.13304	1.8
209.11839	21.5
209.16087	1.6
210.12143	2.8
211.13347	7.0
213.11285	7.4
221.06653	1.6
227.12802	3.1
229.14510	2.0
235.08281	2.3
241.14412	14.5
249.80975	1.8
250.38535	1.8
253.09404	8.8
291.19644	4.4
293.21075	2.2
295.22784	4.4
300.99866	4.6
309.20743	8.4
327.21768	15.7
328.22009	1.5
341.23392	10.1
351.69470	1.4
361.53378	1.7
397.13504	5.1
398.14136	1.5
415.14853	2.4
485.80722	1.6
611.25739	2.3
806.83142	1.7
903.45984	100.0
904.46393	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	903.46
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85568	1.4
69.03476	3.0
71.01392	16.9
71.60725	1.9
71.67484	1.5
72.27756	1.9
73.02941	3.3
78.95889	3.2
81.03498	2.0
83.01384	4.1
85.02968	5.6
85.17615	1.5
87.00874	7.0
89.02462	9.5
95.01420	1.7
96.05923	1.7
96.96026	10.7
97.02972	2.2
97.06590	5.3
98.95570	1.6
101.02459	13.8
111.08147	5.7
113.02453	6.4
116.92892	9.3
119.03481	2.5
125.02441	5.0
125.09730	3.1
126.75419	1.5
139.04134	1.5
143.03525	1.7
151.11301	15.8
161.04550	2.1
165.12891	1.7
169.12361	60.2
170.12759	3.7
171.10249	8.4
187.39676	1.6
197.11832	23.9
199.13304	1.8
209.11839	21.5
209.16087	1.6
210.12143	2.8
211.13347	7.0
213.11285	7.4
221.06653	1.6
227.12802	3.1
229.14510	2.0
235.08281	2.3
241.14412	14.5
249.80975	1.8
250.38535	1.8
253.09404	8.8
291.19644	4.4
293.21075	2.2
295.22784	4.4
300.99866	4.6
309.20743	8.4
327.21768	15.7
328.22009	1.5
341.23392	10.1
351.69470	1.4
361.53378	1.7
397.13504	5.1
398.14136	1.5
415.14853	2.4
485.80722	1.6
611.25739	2.3
806.83142	1.7
903.45984	100.0
904.46393	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	903.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89188	5.0
74.41473	4.9
95.56780	5.4
123.00898	8.8
125.02444	13.5
125.80289	5.9
135.04477	5.4
145.03004	6.0
155.19435	4.9
159.04456	4.9
173.02446	6.4
175.03984	6.5
191.03438	7.0
193.51563	5.3
201.01907	7.6
202.72346	5.2
203.03537	12.9
220.18448	5.6
229.01489	8.6
229.65926	7.1
231.02974	11.9
235.04044	6.3
245.00928	9.9
249.04129	14.1
251.03648	6.0
257.01004	10.9
258.01840	5.9
266.02142	6.4
267.02997	7.5
271.04495	6.5
275.01895	37.7
279.02960	7.0
299.99393	7.1
300.99936	100.0
322.01080	10.3
323.01865	16.8
328.55991	5.9
335.02060	11.8
351.01416	6.4
363.01517	19.1
367.00821	7.2
391.00912	15.7
407.00235	24.4
408.00943	6.3
419.00461	92.7
420.00659	12.8
434.99249	10.4
435.04214	10.8
449.13171	12.3
450.99374	7.7
453.10638	6.3
462.99402	69.3
463.99887	12.9
583.03607	17.2
649.27057	6.0
875.06317	10.8
885.03815	12.9
886.05377	6.5
903.04364	8.9
935.33783	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	903.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11609	0.2
73.02956	1.0
79.95734	2.9
87.04517	3.1
87.55515	0.2
88.90517	0.2
95.95277	0.3
96.96015	100.0
97.95940	0.4
98.20640	0.7
109.90802	0.2
119.05052	0.6
121.10237	0.5
147.11821	0.3
165.01926	0.5
165.12842	0.6
227.12860	3.0
254.41769	0.3
263.09497	1.5
285.07623	0.3
287.01962	0.4
289.07602	0.4
300.99789	0.5
306.11020	0.2
307.08575	82.4
308.08945	5.6
365.03311	0.4
439.06482	0.5
595.12720	0.4
909.91479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08243	0.3
69.03461	1.1
70.35051	0.6
70.35454	0.7
71.00991	0.7
71.01386	13.2
71.05012	0.5
72.99316	1.2
73.02958	2.1
80.02686	1.0
80.96508	0.4
81.03029	0.3
81.03448	1.7
83.01417	1.5
83.05033	5.2
84.02171	0.6
85.02968	2.8
87.00871	3.6
88.24252	0.3
88.30653	0.3
88.92884	0.3
89.02454	10.2
92.51287	0.4
95.01407	0.9
95.05039	0.7
96.96007	0.9
97.02959	2.5
98.19908	0.4
99.00889	0.9
101.02452	8.9
109.02985	0.5
109.06583	0.4
111.04539	0.4
111.08163	0.8
113.02455	5.4
113.09746	0.4
118.05839	0.3
119.03513	3.1
121.10231	0.4
125.02448	4.8
125.06054	0.4
131.03546	0.5
135.08151	0.9
141.01933	0.4
143.03546	1.8
147.11775	0.4
161.04556	3.0
163.11290	3.1
164.11653	0.5
165.12897	2.6
167.03468	0.4
167.10757	0.5
171.10262	1.8
179.05634	4.0
181.12354	0.7
183.13931	0.5
191.10721	0.6
195.13918	6.6
196.14566	0.5
197.11896	0.8
199.13437	0.4
205.12306	0.6
209.11835	87.9
210.12154	5.0
211.13434	3.3
217.07214	0.4
221.06764	2.0
223.13383	4.7
224.13629	0.4
225.11292	0.4
225.15036	0.6
227.12889	12.5
228.13431	1.6
235.08289	3.9
251.12711	0.4
253.09332	1.2
256.13260	0.9
263.07779	0.5
275.20154	6.5
275.23129	0.4
276.20642	0.5
287.07718	1.3
291.19702	0.6
293.21234	100.0
294.21552	9.2
301.00024	0.4
305.08755	1.5
309.20691	1.0
323.09900	0.9
379.12448	4.0
397.13501	31.9
398.14047	2.7
415.14572	12.4
416.15060	0.8
420.12933	0.4
503.33615	0.4
607.26349	1.5
673.34601	0.7
691.35504	1.4
692.35193	0.4
730.06970	0.4
752.96832	0.4
901.47192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46761	39.1
71.60951	62.2
78.95910	64.2
80.96508	78.8
96.96014	40.2
105.33134	40.6
116.92900	66.4
125.02460	47.2
127.96192	35.8
171.10243	36.9
178.05598	34.6
178.40990	39.3
209.11937	52.9
275.02167	44.3
277.21680	39.9
300.99930	100.0
422.61475	36.0
471.34372	57.4
900.46600	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20906	0.1
69.34132	0.2
69.34541	1.0
71.05013	0.8
78.22387	0.1
79.95306	0.1
79.95715	1.6
95.95297	0.2
96.96013	100.0
97.95929	0.2
109.18204	0.1
117.34213	0.1
117.35191	0.1
211.13388	1.2
247.10031	0.6
269.73233	0.1
273.08020	0.3
291.09082	68.6
292.09412	4.5
299.07913	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	901.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.8
69.51558	1.4
69.51968	1.1
71.00994	0.7
71.01387	14.4
71.05037	0.4
72.99310	1.5
73.02943	2.7
75.53947	0.3
80.02680	1.5
81.03457	1.8
81.11827	0.3
83.01400	1.4
83.05034	6.0
84.02177	1.3
84.05369	0.4
85.02958	3.3
87.00886	3.8
87.04523	0.4
89.02454	13.0
89.03001	0.8
93.03453	0.7
95.01414	1.8
95.05036	1.0
96.96011	0.9
96.96960	0.4
97.02947	2.9
97.06561	0.4
98.20080	1.3
99.00888	1.1
100.84740	0.3
101.02448	10.2
109.06578	0.5
111.08177	0.9
113.02451	6.3
119.03489	3.2
123.00977	0.4
123.98045	0.3
125.02448	5.1
125.06095	0.7
127.07838	0.3
131.03511	1.0
135.08165	1.0
139.04022	0.5
141.02008	0.5
141.09259	0.4
143.03508	2.0
149.04469	0.3
161.04544	3.5
163.11293	5.5
165.12848	2.6
179.05634	3.7
179.14427	0.6
181.12321	1.2
183.13899	0.7
191.10809	1.3
195.13887	5.8
196.14545	0.7
197.11855	0.5
205.12294	0.4
209.11836	100.0
210.12178	6.6
211.13405	3.0
217.07085	0.5
221.06665	1.4
223.13412	5.0
225.14948	0.7
227.12901	11.7
228.13417	1.2
235.08217	4.8
235.17064	0.5
246.37071	0.4
251.12872	0.5
253.09251	0.8
256.13251	0.9
263.07736	0.5
275.20160	4.1
280.68552	0.3
287.07687	1.2
291.19781	0.9
292.49771	0.4
293.21240	96.7
294.21567	9.8
301.00113	0.4
305.08881	1.7
309.20718	1.5
317.21344	0.5
323.09805	1.1
379.12436	3.1
380.12759	0.5
397.13510	39.3
398.13919	3.8
403.53549	0.4
415.14575	13.2
416.14828	1.2
420.82428	0.4
503.34216	0.4
607.26141	3.0
670.55145	0.4
673.34821	0.6
691.35376	0.5
760.85675	0.4
838.34741	0.4
901.48138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	24.7
66.90416	17.4
69.85618	100.0
71.01409	34.0
78.95953	20.6
80.96520	17.7
91.31407	18.1
98.19921	28.8
116.92889	23.7
120.91622	20.2
125.02473	23.0
163.11369	17.8
190.49409	18.3
277.21753	31.5
389.22879	19.7
471.34760	27.9
515.77161	18.1
672.56525	20.7
900.46490	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75820	41.5
65.39427	41.5
71.60617	65.2
77.95031	38.1
78.95910	72.4
96.96032	53.7
100.23373	36.4
116.92865	58.0
125.02444	52.4
127.62523	39.4
146.18309	35.9
168.50810	43.2
208.43454	37.3
209.11780	54.7
278.22342	43.1
287.02878	47.7
300.99875	66.7
406.14767	42.7
471.34470	41.3
900.45789	100.0
901.46765	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	3.9
71.01395	15.3
71.04998	1.6
71.61498	1.1
73.02947	1.2
83.01404	1.1
83.04980	1.0
85.02956	4.2
87.00875	3.1
89.02445	9.0
94.52152	1.0
95.01470	1.0
97.02940	2.0
99.00848	2.2
101.02442	9.1
113.02449	4.6
116.92834	1.2
119.03516	2.2
125.02473	6.5
125.09717	1.5
141.68350	1.0
151.11301	1.8
161.04581	1.6
161.09734	2.2
179.10794	2.8
197.11841	53.5
198.12193	2.8
207.10266	1.5
209.11755	1.5
211.13519	1.4
223.09787	1.6
233.07420	1.2
241.10896	3.0
277.21735	16.1
300.66095	1.3
300.99902	3.8
366.97821	1.2
397.13596	2.0
466.02457	1.3
467.68951	1.3
743.59161	1.2
899.46545	100.0
900.46875	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	899.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.6
69.96873	1.2
69.97266	1.2
71.01388	18.9
72.01744	0.5
72.99306	2.5
73.02972	2.4
75.00864	0.6
78.95893	0.6
80.02697	1.6
81.03446	2.7
83.01413	2.9
83.05029	6.2
84.02171	0.7
85.02961	4.4
87.00876	3.8
89.02450	17.0
94.98116	0.7
95.01418	1.2
95.05030	1.8
96.96014	1.1
97.02946	4.5
97.06632	0.5
98.19933	0.9
99.00897	1.4
101.01783	0.8
101.02448	12.8
109.02955	0.5
109.06593	5.1
110.64169	0.4
111.00977	0.7
111.08163	6.6
113.02454	7.9
113.09712	0.6
119.03497	4.2
122.35278	0.5
123.00949	0.5
123.04582	1.1
125.02452	7.8
125.06071	0.6
125.09744	0.6
126.90379	0.6
127.04015	0.5
128.03557	0.6
130.94389	0.5
131.03523	0.7
135.08167	1.6
137.09727	0.7
139.04015	1.3
141.01981	0.9
142.02640	0.5
143.03493	3.4
161.04602	3.4
161.09727	0.8
163.11302	7.1
165.12849	2.8
167.03552	0.5
167.10722	1.6
169.12411	0.5
171.10254	1.5
177.12834	1.5
179.05606	5.6
179.10770	1.4
179.14247	0.5
181.12354	1.6
191.10820	1.4
195.13887	5.9
197.11975	0.7
199.06091	1.0
207.10268	11.1
208.10625	0.9
209.11833	97.9
210.12144	6.4
211.13486	2.4
221.06721	2.5
223.13312	1.2
225.11339	7.2
227.12888	14.8
228.13327	0.8
235.08218	4.4
247.20676	2.3
253.09276	1.2
263.07623	0.6
273.18723	1.2
275.20224	1.3
287.07770	1.4
291.19662	100.0
292.19983	9.0
293.21237	14.6
294.21423	1.7
305.08884	2.2
307.19006	0.8
309.20663	0.8
317.67847	0.6
323.09830	1.1
328.25931	0.5
329.21375	1.1
333.20807	0.8
379.12497	5.2
393.22232	0.5
397.13513	45.6
398.13831	4.7
409.56769	0.5
415.14569	12.6
416.14828	1.6
483.31186	0.7
500.28622	0.6
510.64490	0.5
580.98651	0.5
589.24786	0.8
605.24573	1.2
607.26202	1.7
623.25659	1.1
671.32697	3.4
672.32397	0.8
689.34064	6.0
690.33978	1.1
881.45172	1.8
899.46735	8.4
900.46436	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	899.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.3
69.85205	1.6
69.85613	0.9
71.01387	16.7
71.05037	0.8
72.99316	1.1
73.02959	1.7
78.95930	0.6
79.95735	0.6
80.02709	1.4
81.03473	2.3
83.01411	1.7
83.05024	5.8
84.02184	0.8
85.02961	3.5
87.00417	0.8
87.00869	3.7
89.02450	11.9
90.25425	0.4
95.01403	1.9
95.05044	1.1
96.96011	0.9
97.02970	2.1
97.06606	0.8
98.20672	0.5
99.00867	0.7
101.02450	11.2
109.02950	0.4
109.06604	1.7
111.08178	5.2
113.02467	6.6
113.09756	1.0
118.05988	0.6
119.03503	3.0
125.02460	5.4
125.06119	0.4
125.09736	0.5
126.90356	2.5
128.03526	1.3
128.71895	0.4
135.08177	1.3
143.03539	2.1
147.37332	0.4
149.09695	0.7
161.04597	3.1
163.11339	5.3
165.12845	2.4
167.10818	1.4
169.12326	0.6
171.10292	0.9
177.12898	1.1
179.05602	4.3
179.10785	1.2
180.36122	0.5
181.12407	1.3
191.10765	1.4
195.13956	3.1
207.10297	2.9
209.11838	100.0
210.12170	7.5
211.13370	1.4
212.72020	0.5
221.06752	1.6
225.11314	4.1
227.12903	13.3
228.13237	0.8
235.08223	3.7
247.20753	1.1
249.67928	0.5
253.09357	1.1
278.94336	0.5
287.07748	1.4
291.19662	76.8
292.20016	7.8
293.21246	4.2
305.08704	1.4
309.20700	0.7
323.09735	1.4
329.21280	1.0
353.13849	0.5
379.12457	4.5
380.13269	0.6
397.13501	35.7
398.13736	3.5
415.14621	10.9
416.15063	0.6
498.47168	0.6
501.32477	0.7
587.24060	0.5
589.24634	0.9
605.08569	0.5
607.25928	1.9
623.25037	0.8
671.32648	0.9
689.34406	2.6
843.71240	0.5
881.45178	1.6
899.46265	2.3
900.46417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04477	1.1
69.03455	2.3
69.26756	0.9
70.12659	0.9
70.93685	2.2
70.94045	1.0
71.01392	100.0
72.01742	2.2
72.99296	1.1
73.02945	7.1
75.00861	1.3
81.03456	1.4
83.01391	2.5
83.05036	1.1
85.02956	5.8
87.00894	5.2
89.02453	21.3
95.01389	1.2
97.02953	6.7
97.06577	1.1
99.00887	4.2
101.02453	17.2
109.06619	5.5
113.02470	12.4
119.03523	5.7
125.02461	8.1
125.09735	2.7
126.99822	1.0
127.11279	2.8
133.05081	0.9
135.08189	1.7
139.04005	1.3
141.01938	1.9
143.03510	3.2
144.05760	1.0
153.09268	1.3
153.12816	1.0
155.10783	2.7
161.04587	5.5
163.11290	5.4
171.10286	49.9
172.10643	2.1
179.05583	3.6
181.08751	1.3
181.12317	2.3
199.09789	13.4
201.11307	16.7
207.10281	19.3
208.10498	1.5
217.07079	1.6
221.06744	2.0
225.11328	15.1
235.08220	6.6
243.12363	3.1
249.63985	1.3
253.09221	1.2
255.23320	81.7
256.23639	7.5
263.07816	1.5
287.07745	1.4
289.10342	1.0
305.08820	1.7
323.09729	1.3
379.12558	6.6
397.13553	43.9
398.13773	3.4
415.14694	9.6
416.15054	1.5
481.25705	1.4
548.63239	1.0
579.65948	1.1
623.24872	1.8
653.37671	1.3
835.46924	3.0
861.48682	11.5
862.49298	4.0
879.49445	1.8
897.50549	12.5
898.50726	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	15.3
71.61497	3.1
72.99283	3.4
73.02939	2.4
83.01377	2.8
84.72918	3.0
85.02952	6.1
87.00874	5.0
89.02454	11.3
95.01352	2.9
97.02961	3.1
99.00892	5.5
101.02457	13.5
113.02419	4.8
116.92877	2.2
118.81178	2.4
119.03510	3.6
125.02451	8.2
125.09715	5.7
137.01297	2.4
161.04704	2.7
163.11314	3.2
168.37753	2.3
184.17395	2.7
185.44653	2.7
199.13380	4.9
201.11348	44.3
207.10222	10.8
209.11853	15.1
225.11372	16.2
227.12825	4.1
235.08316	2.6
243.12343	5.6
253.21724	9.3
255.23318	52.6
256.23676	4.6
300.99899	3.0
383.20667	2.7
397.13425	17.2
861.48889	4.2
879.49530	7.6
897.50696	100.0
898.51392	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98527	34.0
76.35093	25.7
96.95940	29.1
106.36927	28.3
119.36214	34.5
123.58869	23.5
127.85690	29.9
144.75848	24.7
170.84312	29.3
179.29558	22.9
180.70767	29.3
209.11787	100.0
210.12169	32.4
222.49202	25.5
237.05499	32.3
245.81935	30.8
397.13315	40.3
898.39410	57.0
927.22516	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	899.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	3.9
71.01395	15.3
71.04998	1.6
71.61498	1.1
73.02947	1.2
83.01404	1.1
83.04980	1.0
85.02956	4.2
87.00875	3.1
89.02445	9.0
94.52152	1.0
95.01470	1.0
97.02940	2.0
99.00848	2.2
101.02442	9.1
113.02449	4.6
116.92834	1.2
119.03516	2.2
125.02473	6.5
125.09717	1.5
141.68350	1.0
151.11301	1.8
161.04581	1.6
161.09734	2.2
179.10794	2.8
197.11841	53.5
198.12193	2.8
207.10266	1.5
209.11755	1.5
211.13519	1.4
223.09787	1.6
233.07420	1.2
241.10896	3.0
277.21735	16.1
300.66095	1.3
300.99902	3.8
366.97821	1.2
397.13596	2.0
466.02457	1.3
467.68951	1.3
743.59161	1.2
899.46545	100.0
900.46875	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	897.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37801	0.7
68.99815	0.8
69.03464	2.5
69.81408	2.4
69.81821	1.3
71.01386	100.0
72.01742	1.4
72.99320	2.4
73.02956	3.9
75.00871	1.1
78.95917	0.7
80.96537	0.8
81.03468	1.6
83.01398	2.9
83.05048	1.1
85.02955	5.3
87.00866	4.8
89.02450	18.4
95.01399	2.1
97.02958	5.3
99.00917	3.1
101.02444	16.5
107.10536	0.7
109.06612	3.8
109.07245	0.8
111.04539	1.4
113.02467	8.6
119.03507	4.4
123.08141	0.8
125.02464	7.5
125.09730	1.8
127.04011	0.9
127.11307	2.1
131.03418	0.9
135.08159	0.7
139.04115	1.0
143.03531	3.0
160.43729	0.7
161.04590	3.1
163.11293	3.3
166.50027	0.8
171.10272	47.0
172.10609	2.2
179.05595	4.6
181.08690	0.8
181.12460	2.2
197.11768	0.7
199.09763	9.1
199.13481	1.0
201.11336	9.3
207.10265	13.8
209.11807	6.7
215.12970	0.9
221.06720	1.6
221.11856	1.5
225.11298	9.0
226.11717	0.9
227.12769	1.5
235.08247	4.8
243.12238	1.5
253.09424	1.6
255.23308	68.1
256.23630	5.4
257.47031	0.7
277.21872	0.8
287.07806	1.1
305.08725	1.7
323.10022	1.6
379.12500	7.3
397.13519	39.2
398.13898	3.8
415.14584	9.9
416.14975	1.2
485.71884	0.7
513.03644	0.9
579.23358	0.7
597.24597	1.1
605.25098	1.0
607.26031	1.9
623.25812	1.4
638.26324	0.8
653.37531	1.1
835.47687	2.0
861.48572	7.0
862.49573	3.1
879.49945	2.0
897.50043	8.9
898.51501	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90683	4.3
71.01375	16.8
78.17986	4.1
79.95744	9.5
80.96525	4.4
89.02445	18.6
97.02937	6.1
101.02465	12.7
109.06577	16.3
113.02434	9.5
119.03493	6.3
125.02442	9.6
135.00999	4.4
161.04607	5.6
163.11356	8.0
179.05583	8.0
207.10275	76.9
225.11307	27.0
235.08182	8.6
255.23285	64.8
256.23557	6.4
379.12296	17.4
397.13516	82.7
398.13956	7.2
415.14444	18.4
455.35590	4.9
522.64099	6.3
605.24469	12.3
623.25098	5.5
635.36359	6.7
653.37476	13.9
654.36499	5.3
682.87659	4.7
843.48126	8.2
861.48621	100.0
862.48816	31.3
897.46698	52.2
898.46710	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	897.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04257	0.3
69.03430	2.4
71.01390	16.8
71.05016	0.9
72.99311	1.9
73.02957	2.1
75.00866	0.3
81.03475	0.9
83.01382	2.2
83.05051	0.6
85.02970	3.4
87.00880	2.8
89.02451	12.3
89.03001	0.7
89.59587	0.4
90.02774	0.5
91.46615	0.4
93.03468	0.5
95.01402	1.2
95.05024	0.6
97.02950	2.0
98.19839	0.6
99.00902	1.0
101.01781	0.6
101.02451	10.9
109.02988	0.5
109.06602	0.5
111.04551	0.5
111.08183	0.6
111.22530	0.3
113.02461	6.3
114.31508	0.3
115.04070	0.4
119.03502	3.2
121.55191	0.3
125.02464	5.8
131.03496	0.5
139.04037	0.7
141.01926	0.7
143.03545	2.4
148.56786	0.3
149.09816	0.3
153.05602	0.5
153.09248	0.3
161.04585	3.0
167.03407	0.5
167.10809	3.3
171.10260	1.1
171.54689	0.3
177.12863	0.7
179.05638	4.3
179.10811	1.1
179.14406	3.1
195.13908	13.7
196.14355	0.8
199.06142	0.4
205.12344	7.1
206.12630	0.5
209.11974	0.4
211.13371	0.6
217.07269	0.5
221.06729	2.1
223.13408	72.0
224.13763	4.9
228.13655	0.6
231.21091	0.5
235.08221	3.6
253.09294	0.9
256.13196	1.2
263.07736	0.8
275.20184	4.8
276.20480	0.5
287.07776	0.9
291.19760	0.6
293.21252	100.0
294.21573	8.8
294.24493	0.3
300.99881	0.9
305.08841	1.4
323.09796	1.3
379.12561	2.8
397.13525	32.7
398.13980	2.6
415.14606	13.7
416.14963	1.3
457.02307	0.6
466.02808	2.0
499.34171	1.0
537.48456	0.3
603.26508	3.7
604.26758	0.4
621.27722	8.4
622.27789	1.4
673.34619	1.4
691.35736	2.1
871.67126	0.4
897.47717	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	897.434
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05629	1.5
69.03464	4.8
71.01382	36.0
72.99312	3.5
73.02953	7.2
79.08102	1.5
81.03444	2.4
83.01402	5.9
83.05022	4.7
84.02150	1.9
85.02931	7.7
87.00878	6.5
88.98831	12.7
89.02437	20.3
93.03397	2.1
95.01389	3.3
95.05042	2.6
96.96009	4.0
97.02953	7.4
99.00909	2.1
101.02439	18.5
103.84971	1.6
107.77726	1.7
109.06594	3.9
109.34017	1.6
113.02460	10.9
119.03507	6.9
119.04966	1.5
119.09873	1.3
125.02437	9.6
125.09723	4.9
131.03531	1.8
135.04553	2.2
141.01990	2.4
143.03494	4.2
155.10670	1.9
158.68785	1.7
161.04507	3.9
161.09682	1.9
163.11269	12.6
165.12825	4.0
169.01486	3.3
171.10284	30.3
177.17877	1.5
179.05602	6.5
179.10797	3.9
181.12300	3.5
183.13919	7.3
185.11836	2.7
189.09279	2.1
191.10838	2.4
197.11842	13.3
197.15225	1.9
201.11334	24.3
207.10252	28.2
208.10617	3.8
209.11836	60.5
210.12206	4.7
211.13312	2.0
215.12791	2.6
221.06697	4.8
225.11317	34.9
226.11769	5.4
227.12921	16.7
229.73280	2.0
235.08189	5.4
239.12901	15.8
240.13388	2.1
243.12340	3.8
253.09268	3.1
271.15527	3.0
273.17090	100.0
274.17432	7.4
300.99881	3.4
305.08762	1.8
334.68796	1.8
343.12164	1.7
351.36761	1.7
369.10223	1.6
379.12283	5.9
397.13544	42.5
398.13742	2.9
406.06479	1.9
415.14548	11.6
439.14417	2.9
475.53458	1.8
605.24207	3.2
623.25592	4.1
746.24841	1.7
879.42151	5.3
897.37006	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	897.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96666	0.8
71.60741	1.5
81.03468	1.5
82.13503	0.8
83.01388	3.0
92.36469	1.0
93.03452	4.0
97.02967	2.2
100.91951	0.9
103.25045	1.0
104.86415	1.0
105.03449	1.5
107.05013	2.7
108.02213	1.5
109.02971	11.4
121.02978	6.8
121.03703	1.1
123.00891	1.8
123.04540	6.0
124.01689	1.6
125.02457	87.2
126.02794	2.1
131.05014	2.1
133.02953	4.4
135.04517	1.4
137.02457	16.8
139.03975	2.9
145.02963	1.9
147.00897	1.3
147.04532	1.6
149.02469	12.6
149.06084	1.8
151.04037	14.1
159.04501	1.7
161.02451	3.6
161.06050	2.0
163.00354	2.6
163.04027	3.6
164.01131	5.1
165.01964	6.3
167.03426	2.9
169.01451	1.4
174.03209	1.3
175.04016	21.9
176.01187	2.2
176.94173	0.9
177.01941	100.0
178.02316	5.6
179.03488	2.7
187.03986	6.3
188.04805	1.8
189.01889	3.5
189.05582	1.6
191.03522	3.3
193.05055	1.7
199.04042	6.3
201.01929	2.5
201.05608	1.1
202.06273	1.1
203.03526	2.2
203.07162	3.4
205.01517	1.5
205.05098	4.0
211.04022	1.1
213.05643	2.0
215.03462	1.9
217.01414	2.4
217.04999	8.9
218.05536	1.0
219.02963	8.7
227.03502	2.0
229.05017	3.5
231.03033	3.4
241.04869	1.2
243.02991	39.5
244.03268	4.4
245.04802	1.0
245.08162	5.1
255.03009	9.5
256.03720	1.8
257.04648	1.8
259.06125	1.5
261.04031	17.3
262.04404	1.7
265.34534	1.1
269.04532	2.3
273.03949	2.3
281.04568	2.9
283.02368	2.4
285.03992	3.2
289.07205	25.1
290.07498	2.1
295.02509	1.1
300.99930	10.5
303.05130	23.8
304.05624	1.4
305.06747	2.4
339.08585	1.4
341.06714	1.5
347.05865	1.4
391.04468	2.3
407.07745	20.7
408.07996	2.3
417.09979	1.5
421.05563	3.8
423.07236	2.2
425.08777	10.3
426.09097	2.1
429.08270	4.4
439.06729	4.0
441.08115	1.7
467.09921	6.5
477.03116	3.8
481.07867	2.9
525.08173	3.8
526.08502	1.3
543.09302	13.5
544.09735	3.0
559.08484	1.7
561.10443	4.9
575.10712	1.3
577.10046	1.2
593.13000	8.0
594.13123	2.3
603.11285	1.9
607.10883	2.4
711.13599	12.4
712.13678	3.4
729.14526	6.0
771.16736	1.4
897.19037	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	897.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09460	0.6
65.55793	0.5
101.14262	0.6
107.01405	1.0
120.19934	0.6
124.01625	1.1
135.06874	0.6
137.02396	0.7
145.02959	2.1
151.00371	3.6
164.01163	1.2
169.01468	0.8
173.02458	1.6
178.99869	2.7
185.02449	3.2
201.01959	2.6
213.01848	0.9
214.02739	3.7
223.02119	0.6
228.00597	0.8
229.01353	4.2
242.02243	2.7
243.02946	2.7
245.00842	1.5
257.00870	2.6
259.02396	3.2
270.01746	3.9
271.02496	23.4
272.02911	1.7
283.99606	3.9
287.01978	13.5
288.02460	2.0
299.99136	4.5
300.02826	2.2
300.99908	100.0
302.00208	7.5
315.01505	1.0
316.02246	66.2
317.02673	8.8
387.13190	0.8
433.04089	1.3
433.17065	1.3
463.08932	2.6
509.16528	1.4
510.77890	0.8
595.13080	97.4
596.13318	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	897.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45020	2.0
69.45447	2.1
71.01387	0.6
79.95721	1.2
96.96015	4.8
123.00834	1.1
125.02462	2.7
131.74768	0.6
137.02444	0.6
151.00386	1.3
160.01700	0.8
161.02600	0.9
169.01389	1.1
172.01682	0.7
175.03929	0.7
177.01917	0.7
185.02388	0.8
190.56422	0.6
194.99284	0.8
200.01106	1.2
201.01918	1.1
214.02725	0.8
216.00714	1.0
217.01167	0.5
226.99628	0.6
229.01408	1.8
231.02838	1.3
242.99243	0.8
244.00136	1.4
249.03984	1.2
257.00870	1.1
259.02466	0.5
270.01593	0.9
270.99326	0.7
271.02469	3.7
271.04910	0.6
273.00778	0.6
275.01971	1.6
283.99670	1.2
287.02097	2.6
288.02448	0.8
298.98459	0.6
299.99121	93.1
300.99857	54.8
302.00290	4.9
307.08597	2.5
309.08075	0.8
316.02249	13.1
317.02808	2.1
340.69891	0.6
371.07623	0.6
441.16010	0.7
447.05713	100.0
448.06049	12.4
449.07245	16.0
450.07962	1.3
481.06104	0.8
595.12793	2.9
922.07275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.8
71.01377	15.6
71.61420	2.1
73.02949	2.3
80.96532	2.5
83.01420	2.0
83.05049	4.1
85.02966	4.2
87.00886	2.4
88.98814	3.4
89.02451	12.7
97.02986	3.3
101.02459	11.4
113.02449	5.4
119.03513	3.4
125.02423	8.4
152.28946	1.9
161.04497	5.0
165.12791	2.5
174.46391	1.8
179.05557	2.7
202.09256	2.0
209.11853	100.0
210.12190	6.8
212.93790	1.8
227.12918	12.8
235.08224	3.7
255.23343	55.3
256.23685	3.8
259.15250	2.0
305.08813	3.2
379.12415	13.0
397.13541	43.0
398.13992	1.8
415.14923	9.8
461.03488	2.1
589.25348	2.6
653.37378	3.7
763.17377	2.1
833.45477	2.5
895.51050	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	895.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	0.6
71.01389	14.3
71.60455	0.6
72.01703	0.6
72.99303	0.6
73.02949	1.2
78.95886	0.7
81.03459	1.0
83.01391	1.1
83.05032	0.8
85.02951	1.9
87.00886	2.5
88.98827	3.6
89.02452	7.8
95.01396	0.6
97.02940	1.6
98.20486	0.5
99.00922	0.7
100.34397	0.5
101.02454	6.3
105.01933	0.8
109.06605	0.7
111.04537	0.5
113.02458	3.7
119.03509	2.0
121.02932	0.7
125.02464	4.1
125.48795	0.4
139.31755	0.4
143.03540	0.9
161.04565	1.7
167.14403	0.6
171.10295	0.7
179.05653	2.2
181.12329	0.4
183.13919	7.5
184.14197	0.6
193.12314	2.0
207.10289	2.4
209.04526	0.5
209.11861	1.0
211.13406	100.0
212.13762	6.9
217.07162	0.7
220.14731	2.9
221.06645	0.8
221.15482	7.3
225.11305	1.2
227.12830	0.6
235.08273	2.5
235.13419	0.6
236.10539	6.3
253.09381	0.7
275.01700	0.5
287.07913	1.0
293.17627	4.0
301.00015	0.5
305.08865	0.7
323.09695	1.3
330.14532	0.5
379.12567	5.4
380.13150	0.7
397.13504	20.1
398.08987	0.5
398.14011	1.4
415.14734	3.6
447.13312	1.5
591.26666	11.1
592.26904	2.1
609.27649	11.9
610.28094	1.4
785.39514	2.7
786.40820	1.2
799.38507	1.0
803.41534	2.2
804.40704	0.7
817.40466	1.1
818.38245	0.8
874.87366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84068	2.2
68.84904	2.4
71.01387	100.0
71.59862	3.7
72.99306	3.5
73.02950	5.5
83.01405	3.3
83.05024	2.6
83.18335	2.1
85.02950	6.4
87.00882	5.8
88.98817	17.1
89.02445	18.1
95.05069	2.2
96.95982	2.7
97.02948	9.8
99.00848	2.7
100.27164	2.1
101.02462	16.3
106.53188	2.2
109.06586	12.5
113.02440	9.6
119.03498	4.6
121.67175	2.2
125.02434	11.5
125.09854	2.7
135.08218	3.2
143.03493	2.8
161.04561	4.9
163.11223	9.0
169.03064	2.0
171.10194	7.3
177.91898	2.1
179.05515	3.9
181.12358	4.4
183.13913	8.7
193.05064	3.2
193.12277	2.7
201.11353	7.3
207.10248	38.2
209.11914	12.1
211.13399	90.3
212.13736	5.0
225.11313	25.4
227.12877	7.5
235.08151	4.3
243.12292	3.2
253.09145	3.4
300.99976	4.5
308.89807	2.9
312.05716	2.7
379.12680	2.8
383.21988	2.6
397.13510	26.7
401.23560	6.5
415.14612	12.1
419.24213	4.4
475.03259	3.2
605.24323	5.3
623.25989	3.7
760.53961	2.7
799.37378	11.9
800.36700	2.6
817.38885	23.1
818.39301	9.3
835.40430	3.6
895.41370	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	894.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98534	17.2
71.01392	30.0
71.59901	19.0
72.99339	38.0
73.02956	19.6
75.00864	29.8
77.98152	14.1
83.18308	14.3
88.98817	99.4
89.02441	22.3
101.02468	16.8
105.01954	25.4
116.92879	100.0
117.01940	26.2
117.92850	16.7
120.22607	12.9
123.00829	13.6
125.02431	24.3
143.23448	13.8
150.43500	14.7
166.30406	13.7
169.01364	15.2
207.10155	16.5
209.11798	47.2
211.13519	23.1
301.00119	29.9
397.13345	23.2
626.97516	15.3
682.25085	15.3
766.29022	19.0
905.85358	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	893.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40553	0.6
69.40955	3.3
71.01388	5.8
72.99294	0.8
83.01405	0.7
85.02953	1.4
89.02448	5.6
96.96013	1.0
99.08160	7.7
101.02451	4.4
103.03942	0.5
107.01369	1.9
113.02476	2.7
115.19037	0.5
119.03479	2.6
123.00865	1.7
125.02455	7.3
127.07663	1.4
129.09195	1.2
139.00368	0.7
140.01074	0.6
141.09241	0.9
145.08711	26.1
146.09062	0.8
151.00351	1.7
168.00607	1.1
169.01434	10.7
179.05682	0.5
187.09743	1.2
195.06676	0.7
211.02472	3.2
239.98517	0.5
255.02983	1.5
271.02332	2.4
271.04956	3.9
300.02759	5.6
300.99863	1.7
301.03247	1.5
307.13989	40.5
308.14291	3.0
313.05634	1.5
352.58353	0.5
433.07785	5.6
434.07837	1.0
459.14981	100.0
460.15317	12.1
543.94946	0.6
733.38782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	63.2
71.21947	17.4
72.99343	23.3
75.00887	40.7
77.16009	17.6
88.98803	100.0
89.02442	22.6
89.43150	15.5
105.01927	46.5
116.92861	56.1
125.02480	39.1
166.67444	19.4
167.63481	16.3
175.02463	40.6
209.11839	50.0
211.13445	33.6
274.71692	16.7
300.99936	30.8
397.13464	21.3
436.25812	17.5
515.88202	15.9
534.50391	17.6
603.45044	16.0
795.38782	18.9
835.20306	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	891.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10663	1.8
69.72594	2.1
71.01388	15.4
73.02950	5.0
73.61162	1.9
80.97498	1.9
83.01389	2.2
83.05053	3.2
85.02946	5.3
87.00880	4.0
88.98814	25.7
89.02467	13.4
95.01399	2.3
96.96016	3.9
97.02924	3.0
99.92641	2.0
101.02465	9.8
101.77158	2.0
109.02990	2.3
109.06506	2.1
113.02436	5.7
116.92847	18.5
117.01901	4.2
119.03506	4.4
123.04600	2.1
125.02441	8.6
151.00337	2.3
151.04083	2.5
155.20486	2.1
161.04527	3.0
169.01402	2.7
179.05574	4.1
179.10704	2.3
191.10823	2.7
195.13907	5.8
197.11827	6.7
201.11298	26.5
205.12256	7.6
209.11836	100.0
210.12144	8.0
211.13342	4.5
223.13399	55.9
224.13774	4.5
227.12915	13.5
235.08316	4.3
253.09160	2.5
287.07596	2.5
291.19870	2.4
300.99927	3.1
309.20764	8.4
379.12457	6.4
397.13516	44.7
398.13580	3.2
415.14676	11.2
425.90454	2.4
478.21265	2.1
590.24908	2.3
603.26569	2.8
607.26038	5.3
621.27631	5.5
645.36346	2.4
813.38367	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	891.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89792	0.7
71.01387	15.1
71.61094	0.8
72.08060	0.7
72.99310	1.6
73.02952	2.9
79.11954	0.7
80.02676	1.5
80.96537	0.7
81.03461	2.3
83.01391	2.3
83.05036	3.9
85.02950	3.3
87.00880	3.2
88.98795	0.8
89.02456	12.3
95.01373	1.1
97.02959	2.5
99.00883	1.1
101.02451	12.3
113.02457	7.7
116.92818	0.9
119.03523	3.9
125.02447	7.0
125.03239	1.2
129.47856	0.7
131.03476	1.2
138.81396	0.7
139.03963	0.9
143.03477	2.8
149.04518	1.0
161.04558	3.3
163.11307	3.2
165.12825	2.2
179.05603	3.2
181.12424	0.9
198.54211	0.7
209.11835	100.0
210.12175	6.4
217.07138	1.5
227.12878	15.0
235.08218	6.0
259.91968	0.8
283.26434	62.2
284.26727	5.1
287.07742	2.7
289.52383	0.7
305.08817	1.7
323.09854	1.2
379.12488	9.2
397.13522	44.8
398.13864	2.7
415.14560	9.5
477.99240	0.8
551.38519	1.0
572.26575	0.9
607.25635	1.1
663.39703	0.9
681.40424	2.1
891.51849	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	889.335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.7
68.99817	1.1
69.03447	0.9
69.36515	0.7
69.36932	1.1
71.00994	0.4
71.01386	7.8
72.01688	0.2
72.45534	0.2
72.99306	2.2
73.02951	1.0
75.00875	9.2
76.01214	0.2
81.03474	0.4
83.01391	0.9
83.05017	0.3
85.02953	11.0
87.00887	3.0
89.02441	1.9
91.04018	0.6
93.03462	0.7
95.01394	3.3
96.96013	0.4
99.00882	5.2
101.02468	0.4
103.00367	1.0
109.02972	0.3
111.00874	0.9
111.04517	0.5
113.02452	11.2
114.02759	0.2
115.00375	1.0
116.53418	0.2
117.01955	1.9
121.02959	50.3
122.03278	1.9
125.02437	0.4
128.25781	0.3
129.01941	0.8
130.99895	0.2
139.00392	0.4
143.03554	0.2
157.01419	0.6
157.88898	0.2
164.29306	0.2
169.01447	0.3
175.02481	1.4
183.50014	0.2
189.04070	0.6
193.05011	0.2
218.90749	0.2
231.05074	3.1
249.06154	32.6
250.06508	1.1
301.00027	0.3
353.08826	0.6
371.09814	100.0
372.05453	0.5
372.10156	8.6
407.30890	0.2
443.12073	0.8
456.46060	0.2
513.73480	0.2
517.18707	0.4
553.57660	0.2
751.87811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.8
62.29911	0.1
63.02392	0.9
65.00327	5.7
67.27576	0.1
69.27789	1.5
70.68764	0.2
79.95766	0.4
80.71456	0.1
83.01391	2.8
93.03450	0.1
96.96021	5.3
97.15052	0.2
98.20624	0.3
98.95576	0.2
107.01402	12.5
108.01711	0.2
108.99342	0.2
109.02972	1.4
122.08875	0.1
123.90865	0.1
125.02454	4.1
133.03004	0.2
134.03711	0.4
135.04536	50.6
136.04874	2.3
137.02448	0.2
151.00385	87.6
152.00720	3.2
161.02457	0.8
165.01912	0.5
169.01434	1.7
177.01956	0.6
215.00185	1.1
237.71306	0.1
269.04474	0.7
275.02020	0.2
285.03806	0.2
287.05634	40.7
288.05984	3.5
291.09097	3.8
292.09399	0.4
293.08856	0.2
300.99951	0.5
367.01294	100.0
368.01627	9.0
369.01242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.9
69.04348	0.2
69.51893	1.2
71.01392	2.2
72.99311	0.2
73.02959	0.2
78.95916	0.4
79.95748	0.3
80.02674	0.9
80.96519	0.4
81.03467	1.1
83.01389	0.4
83.04544	0.3
83.05032	4.0
84.02159	0.4
85.02946	0.5
87.00874	0.4
89.02438	1.3
95.05019	0.6
96.96004	0.9
101.02468	1.4
107.05025	0.2
109.06596	0.4
113.02470	1.2
119.03531	0.4
121.02972	0.6
123.04534	0.3
125.02421	0.5
125.06073	0.4
125.09718	0.2
132.75372	0.2
135.08167	0.4
139.00410	0.2
139.04021	0.2
143.03516	0.2
147.11821	0.3
151.00389	0.2
151.03896	0.2
161.04565	0.7
163.11293	3.0
164.11504	0.2
165.01997	0.5
165.12831	2.0
171.10260	0.5
179.05609	0.3
181.12343	0.6
183.13910	3.5
184.14217	0.2
185.11859	0.3
191.10867	0.8
195.13914	3.0
196.14290	0.3
197.11794	0.2
199.13387	1.2
207.10312	0.5
209.11841	100.0
210.10631	0.1
210.12172	6.7
211.13492	0.9
213.14967	14.4
214.15344	1.1
225.11292	0.3
227.12891	14.2
228.13281	1.0
229.14584	0.2
235.08261	1.6
247.13406	0.3
253.06627	0.2
253.09294	5.1
253.11804	0.3
254.09639	0.3
271.06155	0.2
274.56219	0.2
288.08508	0.2
300.99750	0.5
401.23206	0.5
419.24072	0.3
445.20871	3.4
446.21292	0.3
463.21863	0.8
554.07074	0.2
629.39569	0.2
637.32123	2.0
638.32703	0.4
655.33575	1.4
656.33673	0.3
673.35223	0.2
887.42035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67975	0.2
61.98822	0.6
67.01880	0.2
68.99828	0.2
69.03463	1.1
71.01388	13.5
71.05016	0.2
72.01777	0.2
72.99309	1.0
73.02945	1.7
75.00861	0.4
80.02685	1.3
81.03458	1.7
83.01393	1.8
83.05031	5.3
84.02158	0.7
85.02959	2.9
87.00880	3.4
89.02454	11.0
93.03439	0.3
95.01389	1.1
95.05031	0.8
97.02972	2.2
97.06594	0.3
98.19843	0.4
99.00892	0.8
101.02454	9.9
109.02973	0.2
109.06599	0.4
111.00858	0.4
111.04528	0.4
111.08189	0.3
113.02463	5.7
115.04012	0.4
119.03515	2.9
121.02925	0.3
124.01691	0.2
125.02457	5.3
125.06081	0.5
131.03487	0.6
133.05032	0.3
135.08186	0.8
137.02597	0.2
139.04018	0.4
141.01949	0.4
143.03519	1.9
147.11818	0.3
149.04544	0.2
161.04572	2.8
163.11293	3.8
165.12880	2.3
167.03508	0.4
169.04976	0.2
179.05611	3.8
181.12318	0.6
181.92459	0.2
191.10809	1.0
199.06145	0.3
209.11841	100.0
210.12177	6.2
211.13388	0.4
217.07237	0.6
221.06662	1.5
225.11324	0.2
227.12894	10.5
228.13187	0.6
233.11781	0.2
235.08223	4.6
245.06796	0.3
251.12859	0.6
253.09232	1.0
259.08197	0.6
263.07684	0.4
275.20160	0.2
277.21735	40.5
278.22070	4.0
287.07721	1.6
305.08829	1.8
323.09818	0.8
341.10715	0.2
379.07895	0.4
379.12491	5.3
380.12448	0.2
397.13528	30.0
398.13867	2.2
415.14600	7.7
416.14984	0.6
589.24927	0.6
607.26367	1.2
657.34601	0.2
885.47168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.207
Annotation	Unknow
Peak:m/z	Relative Intensity
75.14314	0.3
79.95748	10.9
80.96522	0.5
83.01371	0.3
85.36067	0.3
95.95227	0.4
96.96023	6.2
105.22266	0.3
110.97556	0.3
111.61378	0.3
121.02979	1.6
125.02393	0.3
135.04547	0.4
145.02992	0.6
147.04565	0.8
159.04544	0.4
192.07953	0.3
253.08623	0.5
255.10335	1.0
263.07108	0.4
269.08203	13.8
270.08640	0.9
270.12561	0.3
271.09860	0.6
276.57013	0.4
281.08301	1.9
282.08838	0.3
283.06927	0.5
283.09811	3.3
284.10239	0.6
294.09113	0.4
295.09714	0.5
296.10535	0.8
298.12180	0.6
299.09235	9.6
300.02805	0.5
300.09622	0.9
301.03339	0.5
307.08527	1.3
307.11801	0.3
310.12109	0.5
311.05643	0.5
311.09265	11.0
311.12314	0.4
312.09714	1.0
313.10809	0.4
314.11627	17.1
315.12009	1.3
325.10822	1.8
326.11591	10.5
327.12039	1.3
329.13953	35.6
330.14377	3.8
341.13916	11.7
342.14371	1.5
366.63956	0.3
409.09726	1.9
410.80527	0.3
439.10703	100.0
440.10986	11.9
440.17053	0.6
447.09525	0.5
490.17307	0.3
521.89850	0.4
548.01849	0.4
611.01208	0.3
656.40411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	11.4
62.56062	0.8
62.65836	0.7
69.03429	4.6
69.50892	0.7
69.79642	3.7
71.01387	15.3
71.05022	1.4
72.99306	1.3
73.02948	3.0
73.76725	0.7
78.95895	1.3
83.01395	1.7
83.05040	1.1
85.02950	3.2
85.06591	0.9
86.03301	0.7
87.00887	3.0
89.02451	11.9
89.80852	0.7
95.05024	0.9
96.96017	6.2
96.96981	1.9
97.02927	1.7
98.20605	1.2
98.95579	1.3
99.00873	1.4
101.02450	11.2
109.02946	0.7
111.08163	1.1
113.02464	5.8
116.92860	1.8
117.01990	0.7
119.03511	3.4
119.62090	0.9
125.02483	3.9
134.47896	0.8
139.04027	1.0
143.03560	1.1
161.04572	2.6
163.00319	0.8
167.10806	3.9
169.12355	1.1
171.10214	0.7
179.05669	3.4
179.10794	1.1
179.14389	3.5
195.13911	13.2
196.14130	1.1
197.11826	11.3
198.12170	0.9
205.12350	10.4
209.11824	3.4
211.13483	1.2
221.06598	1.3
223.13400	100.0
224.13745	6.8
225.00847	0.8
235.08253	3.5
253.09229	1.5
287.07782	1.3
291.19766	2.5
305.08765	1.4
309.20737	6.5
323.09750	1.2
379.12552	5.4
385.45761	0.7
397.13541	27.7
398.13721	2.0
415.14743	7.3
429.26544	1.2
536.74170	0.8
603.26581	12.8
604.27020	1.4
621.27521	17.5
622.27777	2.1
809.39673	4.6
827.41089	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.6
69.03452	1.3
69.95224	0.7
69.95628	0.3
71.01388	15.5
72.99319	1.4
73.02950	2.5
80.02682	1.0
81.03455	2.1
82.58689	0.2
83.01388	1.7
83.05032	5.2
84.02155	0.8
85.02959	3.6
87.00880	4.7
89.02448	12.8
91.04061	0.3
95.01405	1.3
95.05042	1.1
97.02966	2.5
97.06575	0.3
98.20608	0.4
99.00890	0.8
99.04554	0.3
101.02451	12.2
103.04076	0.3
109.02911	0.4
109.06532	0.3
111.00887	0.3
111.04526	0.6
113.02453	6.7
115.04025	0.5
119.03511	3.5
123.00936	0.4
123.04519	0.3
123.81472	0.2
125.02452	6.1
125.06084	0.7
127.04008	0.3
131.03525	0.5
133.05066	0.4
135.08205	0.6
139.03987	0.7
143.03506	2.0
149.04567	0.4
161.04579	2.9
163.11293	5.0
165.12883	2.2
179.05605	3.2
181.12335	0.7
185.04619	0.4
191.10771	0.9
199.06157	0.4
209.11836	100.0
210.12157	6.0
211.13408	0.3
217.07191	0.9
221.06618	1.2
223.13565	0.3
225.11172	0.3
227.12903	12.4
228.13203	0.6
235.05896	0.2
235.08217	5.6
245.06685	0.5
251.12944	0.6
253.09285	1.2
259.08252	0.5
263.07629	0.7
269.06720	0.3
277.21725	48.0
278.22052	4.6
287.07626	1.8
291.23389	0.5
305.08786	2.1
323.09836	1.0
379.12466	5.3
380.12866	0.6
397.13516	35.7
398.13803	2.9
415.14587	9.1
415.19116	0.3
416.14890	0.7
589.25037	0.7
607.25928	0.6
675.36182	0.6
904.08746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	12.5
69.03451	1.2
71.01391	100.0
71.16731	0.8
72.01742	1.4
72.99301	1.6
73.02952	3.0
73.87084	0.9
80.02723	0.9
81.03474	1.7
83.01395	1.4
83.05029	3.8
84.19097	0.8
85.02962	3.7
87.00888	4.0
88.98784	1.0
89.02449	9.7
91.82673	0.9
93.03471	1.2
93.81538	1.1
95.01358	1.1
96.96030	2.8
97.02943	3.4
99.00909	2.4
101.02454	7.8
109.06590	5.9
113.02450	4.3
119.03495	3.2
125.02464	5.8
125.09697	1.5
127.11355	1.1
133.40614	0.9
135.08177	1.0
143.03505	1.6
150.03246	1.5
155.87538	0.9
161.04535	2.4
163.11336	5.8
165.12776	1.6
167.03514	0.8
169.01274	1.2
171.10286	11.1
179.05681	2.5
181.12320	3.1
185.85858	1.0
197.11900	1.0
201.11284	4.7
207.10272	18.0
208.10580	1.3
209.11853	56.1
210.12193	5.9
215.12982	1.0
221.06596	1.2
225.11363	16.2
226.11624	1.1
227.12831	7.9
235.08173	2.3
241.69621	0.9
243.12439	2.4
253.09216	1.1
273.16983	2.7
274.17511	2.3
301.00021	2.1
323.10034	1.1
379.12350	2.1
397.13452	14.9
398.13705	1.3
399.21826	1.2
415.14587	4.8
417.22760	1.8
481.46246	0.9
605.24152	1.0
623.25500	4.4
661.29358	1.0
666.80835	1.1
797.35382	1.3
815.36835	2.1
833.38525	5.2
834.38550	2.1
851.38727	2.9
883.41669	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	881.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	9.7
63.11134	0.4
69.03455	0.6
71.00995	0.8
71.01387	14.8
72.99313	1.6
73.02951	1.9
75.00861	0.7
80.02689	1.1
81.03469	2.2
83.01395	3.5
83.05032	5.0
84.02164	2.0
85.02943	3.8
87.00878	4.0
88.98820	7.6
89.02453	12.2
95.01386	1.5
95.05068	0.9
96.96030	1.2
97.02945	2.8
97.06578	0.5
98.20670	0.6
98.68748	0.4
99.00888	0.8
99.04523	0.5
101.02453	11.0
109.02963	0.8
111.00908	0.6
111.04463	0.5
113.02458	6.9
116.92852	0.4
119.03506	3.2
121.02964	0.7
125.02455	5.9
125.06096	0.5
125.09750	2.8
127.11304	0.8
128.93777	0.4
129.01947	0.9
131.03510	0.6
135.02998	0.9
135.08180	0.9
139.04013	0.6
143.03506	1.7
147.11800	0.7
149.02460	0.5
149.04645	0.5
150.03276	0.5
151.04065	0.9
161.04555	3.1
163.11273	4.2
165.05574	0.6
165.12854	3.3
167.03470	0.4
169.01477	0.6
171.10257	2.1
179.03384	0.4
179.05626	3.8
181.12355	0.5
182.13086	0.4
184.94209	0.4
191.10774	3.8
195.06642	0.8
197.11972	0.6
199.06117	0.5
207.10301	0.5
209.11836	100.0
210.12146	6.5
211.13484	0.7
217.07246	0.8
221.06702	1.3
223.13383	0.7
226.12041	0.7
227.12892	10.9
235.08228	4.0
239.12923	0.6
241.14421	0.8
243.16006	0.7
251.12904	0.5
259.08267	0.5
263.07748	0.7
273.17081	99.2
274.17432	7.5
275.02121	0.4
287.07736	1.5
297.16730	0.5
300.99960	0.5
305.08926	1.5
323.10001	1.0
340.46143	0.5
370.36041	0.5
379.12399	3.8
397.13525	36.6
398.13928	2.5
398.81363	0.4
415.14590	11.3
416.14828	1.4
465.28589	1.2
503.19852	0.4
607.26263	1.6
653.29926	0.6
671.31494	2.2
672.31720	0.6
842.12567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4031
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98845	12.5
69.03460	6.8
70.26941	2.4
70.27302	2.4
71.01387	21.5
71.05021	2.6
72.99303	3.6
73.02957	3.3
73.49672	1.0
75.00862	4.1
80.02669	1.6
80.93645	1.0
81.03465	2.6
83.01381	3.1
83.05027	8.4
85.02955	5.6
87.00893	5.9
89.02450	13.2
90.02835	1.1
96.96000	1.2
97.02979	3.4
97.06588	2.4
99.00881	2.8
101.02449	13.7
103.65216	1.0
109.06580	1.7
111.00852	1.4
113.02458	5.1
115.00365	4.5
116.92858	1.9
117.37753	1.0
119.03491	3.0
123.08147	1.9
125.02468	5.3
125.09733	2.7
135.08182	1.7
143.03481	1.4
151.11263	3.6
153.12842	2.6
161.09761	5.0
163.11247	6.1
165.12830	4.3
169.01411	1.3
169.62355	1.1
171.10239	2.0
175.02455	5.8
179.05637	1.1
179.10809	7.7
181.12357	1.1
191.10684	2.1
197.11830	69.9
198.12193	4.1
209.11838	91.0
210.12210	5.8
211.13666	1.2
221.06677	3.8
223.09676	1.8
227.12889	5.9
235.08429	1.2
241.10796	4.9
285.13452	1.4
300.99881	1.3
397.13602	2.9
479.02383	1.3
713.33557	1.1
731.35181	4.2
769.57159	1.2
849.37653	100.0
850.37903	24.9
858.88110	1.3
881.40363	41.2
882.41205	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	881.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01463	0.7
67.01893	0.8
71.60566	0.9
71.60925	1.0
79.95759	1.2
81.03470	1.8
83.01380	4.0
89.03976	1.0
92.02056	0.8
93.03482	2.3
95.01389	1.2
96.96020	20.3
97.02958	2.1
105.03461	0.8
106.28016	0.8
107.05044	2.4
108.75899	0.7
109.02966	11.4
119.05036	0.9
121.02972	4.7
122.03761	0.9
123.00928	1.3
123.04532	7.3
124.01658	1.5
125.02458	100.0
126.02783	2.4
131.05064	1.3
133.02971	5.5
135.00894	0.7
135.04538	1.4
137.02457	15.0
139.04005	2.3
145.02965	1.7
147.04514	1.1
149.02454	7.1
149.06064	1.1
151.04013	13.1
152.04407	1.1
157.99451	0.7
159.04491	3.2
161.02464	20.8
161.06096	1.8
162.03146	1.3
163.00424	3.2
163.04012	3.8
164.01158	5.5
165.01926	5.0
167.03534	2.2
169.01424	1.5
172.59514	0.7
173.06073	1.2
175.04007	16.3
176.01186	2.0
177.01942	52.4
178.02321	2.6
179.03514	2.5
187.04031	3.3
188.04709	1.1
189.01974	2.8
189.05499	0.9
190.02802	0.9
191.03557	3.7
193.05045	2.1
199.04008	4.8
200.04468	0.8
201.01898	1.8
201.05592	2.4
203.03470	2.8
203.07167	2.6
205.01512	1.7
205.05119	3.3
211.04074	1.7
213.02100	0.8
213.05461	1.8
214.02751	1.2
215.03488	1.6
217.01544	1.2
217.05025	8.0
219.02995	4.7
219.06656	1.7
225.05602	1.2
227.03459	1.8
229.01445	1.6
229.05145	1.5
231.03033	2.8
241.05029	0.7
243.02971	30.2
244.03343	1.4
245.04591	6.9
245.08215	3.9
255.02925	7.4
256.03806	2.7
257.04321	1.6
259.06339	1.6
261.04053	10.8
269.04669	2.7
273.04050	2.4
275.02112	4.2
275.04608	0.8
281.04642	2.0
282.01746	1.3
282.05029	0.8
283.02530	2.2
284.02960	0.8
285.04184	2.6
287.05630	14.6
288.02884	1.0
288.06085	1.5
289.07199	17.9
290.07635	1.6
293.04691	1.2
297.03842	0.9
299.05621	3.6
300.99963	9.7
302.00461	1.1
303.05045	13.2
305.06717	3.5
339.08640	1.3
341.06873	1.2
347.05615	0.7
363.04968	2.0
379.08209	1.2
381.06079	1.2
383.07739	1.2
387.05246	1.6
391.04922	1.7
405.06119	7.2
406.06192	0.7
407.07715	17.0
408.08118	2.0
410.16537	0.7
413.09039	1.3
423.07166	9.0
424.07797	1.5
425.08890	7.7
426.09195	1.3
429.08325	3.3
441.08673	1.6
447.11636	1.0
449.08600	1.2
451.10480	5.6
453.08301	1.0
465.08020	3.5
467.10022	1.8
525.08459	2.5
543.09277	7.9
544.09497	1.2
549.10101	1.0
561.10468	1.5
575.11877	0.9
577.13727	8.7
578.13623	1.2
591.11255	3.8
593.13538	2.4
603.11798	2.3
695.14209	11.4
696.14240	1.9
711.13690	1.6
713.14801	1.4
729.15436	1.1
755.16693	1.5
756.16473	0.9
783.06305	3.8
784.07635	1.0
881.20038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08876	0.8
70.09280	1.4
98.20592	0.5
101.74766	0.4
125.02425	1.4
136.05247	0.5
158.50006	0.4
160.01694	0.7
169.01434	1.2
172.01672	0.6
177.64005	0.4
185.02394	1.0
188.01140	0.5
200.01135	1.2
201.01741	0.8
215.30022	0.5
216.00665	1.2
228.00621	1.0
229.01334	1.3
242.99391	1.1
244.00139	2.2
245.00636	0.6
257.00851	1.0
270.98880	0.5
271.99692	1.3
279.62933	0.5
282.98941	0.8
283.99527	0.7
299.99124	100.0
300.99857	65.5
302.00238	4.5
389.33398	0.4
433.04135	72.7
434.04544	8.3
447.05725	43.3
447.12439	0.5
448.06100	5.5
495.15088	4.2
510.25574	0.5
606.07184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85927	0.2
71.61409	0.3
72.99760	0.2
74.70611	0.2
94.93340	0.2
96.96043	0.3
113.26772	0.2
129.03479	0.2
145.02959	0.9
147.04565	0.3
151.00383	0.3
157.02948	0.7
163.03983	0.4
173.02434	1.2
178.99883	0.2
185.02464	2.2
187.00233	0.2
189.02057	0.2
200.01212	0.3
201.01979	1.7
213.01955	0.3
217.01414	0.4
226.99841	0.5
228.00604	0.3
229.01410	2.9
243.03122	0.2
245.00867	1.4
255.03056	1.1
257.00879	1.6
258.73248	0.2
271.02454	1.9
273.00256	0.3
283.99658	2.5
299.01923	0.2
299.99133	2.7
300.02777	4.7
300.99902	100.0
302.00232	7.4
302.03070	0.2
433.07776	0.4
447.09546	0.4
579.13580	7.3
580.13898	1.2
624.23322	0.2
703.81720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.8
63.96253	2.2
69.03467	1.0
71.01390	10.6
73.02962	2.1
78.98604	8.9
79.95042	0.5
79.95263	0.8
79.95746	25.8
80.96525	100.0
81.03460	1.6
81.28348	0.6
82.96096	0.5
83.01376	0.4
85.02954	3.8
87.00893	4.6
94.98093	22.1
96.96032	1.8
97.02959	2.8
99.00872	0.6
99.04533	0.5
101.02457	3.6
102.43601	0.4
106.98108	4.9
113.02488	0.8
121.43386	0.4
122.97594	4.9
125.02446	4.5
127.04021	1.0
134.97594	8.5
136.99168	1.6
148.99152	9.1
152.98653	8.7
159.57545	0.5
161.04492	0.5
164.98640	17.3
179.00323	0.6
189.05238	0.5
206.99686	4.5
225.00768	27.3
226.01091	0.9
255.23300	1.9
276.55566	0.5
281.03381	0.5
283.04831	1.0
414.96579	0.5
537.27325	1.8
593.56482	0.4
623.27545	1.2
657.14166	0.5
709.38495	4.0
710.39209	1.1
729.80457	0.5
735.40051	5.4
736.40674	1.7
737.39136	0.9
763.39612	1.5
765.41797	0.8
775.08289	0.5
781.40692	2.4
782.41443	1.0
861.46918	0.9
879.51105	73.2
880.51337	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	879.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12821	0.6
61.98829	0.6
64.39834	0.6
68.99828	1.1
69.03476	1.2
69.87299	0.6
69.95151	2.0
69.95558	1.1
71.01387	100.0
72.01741	1.2
72.99316	1.9
73.02949	4.2
75.00884	0.7
78.95905	0.8
79.01907	0.6
80.96561	0.7
81.03459	1.8
83.01401	1.9
83.05022	1.0
85.02952	4.6
87.00878	3.4
89.02458	10.6
95.01408	1.0
95.05020	0.7
96.96063	0.8
97.02959	3.7
99.00909	1.9
99.04557	0.6
101.02449	10.0
109.06596	4.8
113.02448	7.5
119.03484	2.7
121.13484	0.7
125.02468	5.6
125.06095	0.6
125.09744	2.2
127.04054	1.0
127.11295	1.8
131.03465	0.7
137.02499	0.6
138.52409	0.6
139.04024	1.4
141.02014	0.9
143.03491	1.9
153.05540	1.2
155.10780	1.3
161.04585	2.6
163.11252	4.1
165.09143	0.7
167.03531	0.8
171.10280	24.7
172.10591	0.9
179.04022	0.6
179.05550	3.3
181.12369	1.9
185.11818	1.1
189.09256	0.9
197.11899	1.1
199.09865	1.0
199.13425	1.0
201.11331	15.8
202.11620	0.9
207.10280	14.1
207.12164	1.1
208.10579	1.4
215.12894	1.6
221.06706	1.3
225.11320	24.4
226.11729	1.3
235.08197	3.4
243.12419	3.4
253.09294	1.1
255.23306	34.9
256.23761	3.6
287.07697	1.4
293.21194	0.8
305.08591	0.7
379.12521	5.4
381.50958	0.8
397.13501	21.9
398.13943	1.8
415.14447	5.4
427.24899	1.3
429.26407	1.4
439.14432	1.4
551.23480	1.4
569.24365	1.0
605.24622	3.1
623.25256	3.5
653.37256	1.4
717.78137	0.7
726.69019	0.7
745.10687	0.7
817.45001	0.9
861.48334	6.7
862.49139	2.0
879.49420	7.5
880.50073	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	879.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.1
68.99828	1.0
69.03442	1.0
71.01389	100.0
71.61761	0.8
72.01740	1.5
72.99316	1.2
73.02944	3.3
80.96531	1.6
81.03461	1.6
83.01382	1.4
83.05042	0.9
85.02959	4.7
87.00884	3.6
89.02450	11.4
95.01408	1.8
95.05025	1.0
97.02969	4.3
97.06646	0.7
99.00869	1.8
101.02455	9.1
106.50076	0.8
109.06590	5.3
113.02450	5.8
119.03509	2.6
125.02469	5.8
125.09780	1.6
127.11309	1.6
135.08260	0.8
137.02440	0.8
141.01894	1.0
143.03522	2.0
153.05615	1.4
155.10782	0.8
157.12299	0.8
161.04588	2.7
163.11307	3.7
171.10286	15.1
179.05632	2.3
181.12308	1.2
185.11855	0.9
197.11783	1.1
201.11336	12.1
207.10277	16.2
208.10558	0.9
215.12862	2.0
217.07271	0.8
221.06708	1.0
225.11348	19.5
226.11742	0.9
235.08253	3.2
243.12527	1.7
253.09305	0.9
255.23306	39.6
256.23660	4.1
287.07779	1.0
305.08649	1.4
350.85730	0.8
379.12485	3.9
397.13492	21.9
398.13959	1.5
415.14658	5.1
439.14484	2.3
605.24500	1.4
623.25873	1.0
637.32617	0.8
861.49005	5.6
862.49426	2.3
879.49469	7.6
880.49573	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	878.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
67.45508	0.1
69.58303	0.8
71.01393	0.4
72.99321	0.2
73.60621	0.1
75.00884	0.3
88.98804	1.1
89.02490	0.2
92.84209	0.1
101.02467	0.2
105.01987	0.2
125.02486	0.2
152.94315	0.1
171.10237	0.3
209.11861	0.3
211.13448	0.6
212.13737	0.4
223.13484	0.6
224.13779	0.2
276.74518	0.1
300.99957	0.2
345.76492	0.1
397.13422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.2
63.96231	2.4
69.03442	1.2
69.63576	4.2
70.12711	0.5
71.01389	10.6
73.02953	2.1
78.98592	8.6
79.95744	52.3
80.96522	100.0
81.03445	1.1
83.01379	0.6
85.02959	3.8
87.00889	3.6
94.98095	23.2
96.96042	2.9
97.02931	2.4
99.00900	1.1
101.02438	3.3
106.98094	5.8
113.02451	0.6
113.36265	0.6
122.97597	6.3
125.02438	2.9
127.04058	1.0
134.97614	7.8
136.99156	3.4
143.03542	0.7
145.11661	0.8
146.97513	0.6
148.99146	10.1
152.06458	0.6
152.98622	8.6
161.04630	0.8
164.98628	15.9
167.00172	1.2
171.10255	2.0
188.98718	0.9
206.99701	5.0
207.01494	0.8
209.11861	0.7
223.99895	0.9
225.00745	31.2
226.00961	0.9
241.00177	1.7
244.88486	0.6
255.23349	2.3
265.30847	0.5
283.04959	1.0
341.05603	3.1
355.06934	1.2
411.13031	0.7
425.14764	2.0
453.14294	2.8
505.44443	0.6
537.27338	4.7
538.27881	1.2
553.25983	0.8
579.28046	0.7
609.29242	1.5
637.33002	1.4
679.37024	1.3
709.38434	68.0
710.38837	12.4
723.40057	0.7
735.40045	5.6
736.40344	1.4
737.40833	4.2
738.41107	0.8
763.39001	1.0
765.41132	8.3
766.41541	1.3
781.40607	8.0
782.40625	1.8
879.48029	38.8
880.48370	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	3.2
70.77203	0.7
71.01392	12.9
71.05005	1.8
71.45692	0.7
72.99301	0.9
73.02942	2.5
81.73648	0.7
83.01402	2.4
83.05029	1.1
85.02945	2.8
85.06625	1.3
87.00884	2.3
89.02454	9.4
95.01384	1.0
96.80417	0.6
97.02949	2.4
97.89996	0.7
98.20638	2.2
101.02463	7.2
109.02981	1.0
109.30643	0.7
111.04489	0.7
113.02450	2.8
116.92868	1.3
119.03513	1.8
123.08180	0.9
125.02475	4.1
125.09760	1.8
127.03988	1.0
131.03618	0.6
139.04021	1.1
143.03519	1.0
151.11281	2.5
153.01852	0.9
153.05550	2.2
153.12904	1.1
161.04512	0.7
161.09735	2.5
167.03545	0.9
171.69612	0.7
179.10732	3.4
195.10321	1.1
195.57722	0.8
197.11838	49.7
198.12206	2.1
199.38278	0.8
207.36316	0.7
209.11674	0.9
216.20451	0.7
221.06606	1.5
223.09735	3.2
235.08253	0.8
241.10881	3.8
252.30774	0.8
255.23325	31.4
256.23703	1.7
276.54416	0.8
379.12643	0.8
397.13580	3.7
397.43964	0.7
415.15353	0.8
427.24820	3.9
702.23083	0.8
859.46405	1.3
877.48041	100.0
878.48370	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	0.4
66.09666	0.4
69.03097	0.6
69.03457	4.8
71.01388	13.3
71.05021	1.2
71.60574	0.6
72.99322	1.7
73.02961	1.9
81.03490	0.6
83.01403	2.0
85.02955	2.8
87.00885	2.2
89.02450	8.7
95.01406	1.4
95.05023	0.3
97.02957	2.2
97.06598	0.5
99.00884	1.3
101.02448	7.9
109.02962	0.5
111.00912	0.4
111.04527	0.7
113.02467	4.1
116.92854	0.5
119.03499	2.0
121.03020	0.3
123.08167	1.5
125.02454	2.8
125.09713	2.0
131.03517	0.6
136.44884	0.4
139.04033	0.6
143.03508	1.1
149.09654	0.6
150.48363	0.4
151.11322	2.2
153.05562	0.8
153.12788	0.4
161.04521	1.1
161.09717	3.3
169.12250	0.4
179.05788	0.6
179.10788	5.2
197.11835	36.5
198.12173	2.3
205.08627	0.5
209.11818	0.8
221.06737	1.5
223.09738	0.9
235.08167	0.8
241.10889	1.8
255.23300	46.6
256.23621	4.7
269.24866	0.6
327.78830	0.4
388.40717	0.3
397.13467	2.8
415.14572	0.5
621.23615	0.4
639.25555	0.4
728.96661	0.4
859.46960	0.4
877.48047	100.0
878.48389	28.0
878.66180	0.8
885.59131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.6
65.00353	0.9
71.01379	0.8
71.61189	0.5
71.61551	0.6
72.66846	0.5
74.02480	2.5
83.01397	1.1
89.60327	0.4
93.03506	0.5
95.05939	0.5
96.96014	2.6
107.01396	2.2
108.02215	0.9
109.02956	1.7
120.99670	0.9
121.02925	2.6
125.02442	1.8
127.88139	0.5
137.02507	0.5
148.01703	0.8
151.00392	10.9
151.04015	0.5
152.00702	0.5
161.02425	0.8
161.09738	0.8
163.00357	2.0
163.04034	0.7
166.32320	0.5
169.01389	1.3
178.99870	5.0
180.04179	0.5
187.11282	1.0
193.05064	0.6
211.04050	1.2
215.03624	0.5
223.13458	4.5
227.03532	1.9
229.04956	0.7
239.03671	0.6
243.03017	5.2
245.04454	1.3
254.02232	0.5
255.02992	14.2
256.03513	0.5
265.07333	1.1
267.12390	9.1
271.02490	27.9
272.02820	3.3
273.04047	1.1
291.12430	0.5
300.02765	59.9
300.99960	2.3
301.03482	43.1
302.03979	3.4
339.14316	0.6
367.39697	0.6
369.15433	4.0
370.15759	0.7
429.17780	10.3
430.21393	3.0
447.09335	100.0
448.09650	13.6
448.15811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.6
69.03445	3.5
71.01389	17.6
71.59729	1.2
71.60094	0.9
72.99313	2.1
73.02953	3.0
75.00890	1.4
78.92150	0.9
83.01395	1.8
85.02939	4.5
87.00884	6.7
88.91060	0.8
88.98835	5.6
89.02451	19.0
95.01424	1.4
97.02973	2.7
99.00884	1.4
101.02452	16.0
113.02481	7.6
116.92873	4.6
117.92873	1.7
119.03506	4.0
125.02444	5.1
130.29797	0.8
143.03508	2.5
161.04553	2.9
163.29749	0.8
167.03539	1.0
167.10760	3.0
167.14348	1.3
178.71561	0.8
179.04288	0.8
179.05647	4.9
179.14426	2.8
183.13902	6.2
193.12392	2.3
195.13890	9.1
205.12315	7.2
207.10310	2.6
209.11914	4.3
211.13400	100.0
212.13739	6.0
217.07135	1.1
221.06667	1.6
223.13393	78.2
224.11627	1.4
224.13654	5.5
225.11340	1.4
227.46567	1.0
235.08202	5.0
237.82829	0.9
253.09235	1.7
287.07813	1.4
301.00034	1.1
305.08908	1.0
323.09967	1.5
379.12463	7.0
397.13525	39.3
398.13925	3.7
415.14548	7.2
417.26315	1.9
591.26373	8.1
603.26599	9.7
604.27136	1.9
609.27594	9.2
610.27826	2.3
621.27728	13.2
622.28448	1.6
797.40479	5.4
798.40161	1.6
815.40576	4.7
839.40930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73724	6.2
71.01364	8.2
71.60465	7.9
73.02938	13.7
88.98804	16.1
99.92599	15.3
116.92873	100.0
117.01946	15.7
117.92885	7.3
130.17859	5.7
143.69243	5.9
146.43272	5.7
152.44113	5.7
170.25287	6.0
171.10252	8.4
197.11783	24.7
209.11787	12.7
253.09325	17.7
309.20767	83.2
310.20963	12.9
377.23511	9.8
378.24023	5.9
380.37741	6.0
401.23276	18.1
545.29797	7.9
676.74042	7.0
873.47198	33.2
874.47168	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	875.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	0.5
69.03484	0.6
71.01373	2.0
72.99330	0.5
73.02942	0.5
79.01912	0.8
81.03425	0.5
83.01390	0.6
85.02969	4.9
87.00923	0.8
93.03449	2.0
95.01409	1.3
96.96030	0.5
97.55148	0.4
98.19885	0.8
101.02457	1.3
106.88087	0.4
107.01380	2.8
111.00891	1.6
111.04527	0.7
113.02428	1.0
119.05059	0.6
123.00896	8.1
124.01647	0.6
125.02453	12.8
126.02721	0.4
127.04024	1.0
136.98820	0.9
139.00381	3.0
139.03922	0.7
140.01149	2.1
141.01952	0.8
151.00377	5.6
153.01923	0.6
153.09206	0.7
159.16138	0.4
163.04095	0.9
165.01814	0.5
168.00656	3.2
169.01430	15.4
170.01730	0.6
191.05621	57.9
192.06035	2.4
211.02501	9.4
212.02875	0.6
212.68480	0.4
241.03844	0.4
249.04163	0.5
271.04608	18.7
271.40652	0.4
272.04886	1.2
313.05667	0.9
316.02087	1.1
327.07297	0.4
331.06662	1.2
337.09348	13.9
338.09647	1.4
479.08215	0.9
537.19788	100.0
538.20227	15.9
563.23718	0.5
629.88971	0.4
640.86884	0.4
818.07306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.3
63.39379	0.4
63.81217	0.3
66.06445	0.4
71.61653	0.7
72.99311	3.2
73.02963	0.5
79.95739	3.1
93.07113	3.2
96.96017	100.0
97.61070	0.4
99.49066	0.3
112.59569	0.4
123.00933	0.4
125.02441	1.1
137.06071	1.0
147.11797	2.3
153.05632	0.4
165.01955	0.6
169.01431	0.7
181.04990	0.7
209.11844	8.5
212.97530	0.3
227.12895	11.0
228.13152	1.0
245.08504	5.0
245.50890	0.4
249.07982	1.3
263.05865	2.2
263.09418	0.5
289.07489	1.7
289.27975	0.4
300.02533	0.4
300.99869	1.5
307.08578	68.1
308.08865	5.0
389.78339	0.3
452.83740	0.4
466.27957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	9.1
70.18008	16.4
73.02961	8.2
78.95916	6.9
96.24463	6.8
98.19780	7.6
99.92583	10.0
111.32447	6.3
116.92867	100.0
117.01941	11.4
117.92869	7.1
122.06136	6.7
125.02451	8.0
137.34018	5.6
161.04565	6.4
197.11850	26.1
209.11798	7.2
211.13429	6.0
253.09290	14.3
291.19617	16.2
300.99954	8.5
309.20712	83.8
310.20807	10.6
377.23273	11.0
378.24228	11.1
401.23376	26.1
471.34824	7.6
873.47687	27.3
874.46997	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	873.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91960	1.1
69.11961	1.1
69.63758	8.0
71.01389	12.2
73.02940	1.1
79.95741	4.1
80.96516	10.6
85.02927	3.2
87.00883	2.3
89.02480	1.4
96.96018	16.3
98.19878	2.1
103.00352	1.9
113.02439	5.8
115.00372	9.7
123.17397	1.3
125.02477	3.6
138.97064	2.7
161.02446	1.3
165.01953	1.9
166.96588	2.5
169.01457	1.6
175.02481	18.4
181.05156	1.3
192.98109	4.0
229.01399	1.7
249.04102	1.5
254.98161	100.0
255.98584	1.7
299.99121	79.8
300.99738	15.5
302.00201	1.7
307.08609	2.8
315.01468	83.3
316.01825	8.9
333.13727	2.5
491.04672	19.3
492.04919	1.5
571.00500	9.6
841.96967	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	873.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38598	1.0
69.27725	3.5
69.28149	5.2
71.01397	12.3
77.79010	0.8
79.95746	3.3
80.96523	10.7
85.02940	4.2
87.00876	2.6
95.01392	1.0
96.96017	10.5
98.20678	2.0
103.00387	1.8
113.02454	7.8
114.04441	0.8
115.00379	10.6
122.97527	0.8
138.97107	3.3
157.01454	1.1
166.96619	1.8
175.02475	16.7
192.98080	3.5
223.37485	0.9
242.47235	0.9
254.98177	100.0
255.98480	3.0
267.50739	1.0
271.99588	1.2
299.99136	82.7
300.99567	7.4
315.01489	81.4
316.01877	8.0
425.02130	0.9
426.50592	1.0
491.04733	18.9
492.05154	2.1
494.25684	0.9
497.48944	0.9
571.00476	7.6
572.00464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38676	0.9
61.98842	11.0
69.03461	2.7
71.01389	10.6
73.02956	11.2
75.00858	0.7
78.95934	1.3
80.02692	1.9
80.96529	0.7
81.03468	1.6
83.01404	1.7
83.05026	5.9
84.02148	0.8
85.02956	6.8
87.00896	2.8
89.02452	7.4
95.01361	1.2
95.05016	1.9
96.96005	4.6
96.97014	1.0
97.02943	3.5
97.06060	0.8
97.06596	5.3
99.00898	3.0
99.92603	14.7
101.02442	9.7
106.04247	0.7
107.57487	0.6
109.02977	0.8
109.06612	0.7
111.04567	0.9
111.08174	6.7
113.02455	3.8
114.93368	1.1
116.92873	100.0
116.97284	1.0
117.01950	14.9
117.92896	6.4
119.03526	2.3
123.04527	1.4
123.08178	1.2
125.02445	2.5
125.06090	0.7
125.09739	4.6
127.07676	1.3
127.11311	1.6
131.03549	0.9
135.08220	1.4
137.09741	2.9
145.05075	1.2
151.11327	1.5
153.12906	0.8
155.10815	1.2
155.36548	0.8
161.04601	4.3
161.05688	0.7
163.11304	5.4
165.12808	4.7
167.10786	2.0
169.12387	4.2
171.10287	22.2
172.10622	1.0
177.12811	0.9
179.05721	1.0
179.10785	1.0
181.12416	2.2
183.13844	2.8
185.11890	4.6
191.10777	1.9
191.14442	2.8
197.11847	41.5
198.12178	3.2
199.13440	3.5
207.10289	1.9
209.11850	94.6
210.12166	6.7
211.13425	14.2
221.11882	1.8
227.12903	12.4
229.14438	7.9
229.26550	1.0
230.14578	1.0
235.08235	5.9
237.11290	1.6
239.12909	1.6
245.19106	6.0
247.20657	0.9
253.06671	1.4
253.09309	25.5
254.09605	1.2
263.20108	4.7
265.18094	1.5
289.18109	21.2
290.18567	2.9
291.19699	13.7
292.20114	1.4
293.21155	0.9
294.21231	0.8
300.99930	1.1
307.19174	23.5
308.19492	2.7
309.20737	32.7
310.21063	2.8
325.20181	1.3
327.21777	64.2
328.22165	7.5
336.81625	0.8
445.20764	1.7
454.85800	0.8
506.84741	0.9
545.29120	0.9
598.57251	0.8
871.42139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.7
67.35259	0.8
69.03466	1.3
71.01385	14.2
71.60521	1.2
72.99296	1.4
73.02943	2.7
73.47458	1.0
81.03465	1.7
83.01382	2.0
83.05006	1.5
85.02951	4.0
87.00878	3.5
89.02452	13.7
95.05048	1.9
97.02953	2.5
97.06570	4.9
99.00884	1.5
101.02444	10.8
113.02441	3.7
119.03529	2.2
123.78075	0.8
125.02437	3.0
125.09704	1.0
151.11285	11.8
161.04530	1.2
169.12340	40.5
170.12679	3.2
171.10281	1.2
190.95872	1.0
195.10347	1.4
209.11761	1.9
213.11298	4.9
221.06735	1.5
235.08235	1.3
253.09325	1.1
277.21719	28.4
278.22012	2.1
280.23718	0.9
397.13763	4.7
496.97598	1.0
593.24774	1.7
611.25360	1.2
668.68286	0.9
717.63104	0.9
871.46985	100.0
872.47449	25.6
872.64301	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	871.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	1.6
68.26354	0.7
69.03451	1.2
69.63469	4.4
71.01384	15.0
72.99310	1.3
73.02945	1.9
74.51651	0.7
75.00842	0.8
78.95892	0.9
83.01380	2.7
85.02955	3.7
87.00885	3.1
89.02454	12.5
95.01395	1.5
95.04993	1.0
97.02956	2.4
97.06592	3.0
99.00896	1.0
101.02442	10.7
109.02960	1.0
113.02438	5.2
119.03508	2.1
119.68537	0.8
125.02463	3.4
131.03484	0.7
139.04016	0.9
143.03519	1.1
151.11288	12.1
152.11661	0.8
152.99571	0.8
161.04590	1.5
169.12341	74.3
170.12727	3.9
179.05563	0.9
195.10260	1.1
209.11880	0.9
213.11298	10.4
221.06679	3.7
234.96390	0.7
235.08144	1.2
237.23158	0.7
277.21732	20.7
278.22058	1.6
307.19049	0.7
374.59265	0.9
385.25027	0.8
388.31479	0.8
397.13254	2.4
611.26093	3.8
871.46924	100.0
872.47247	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	6.6
63.48996	0.7
69.03453	2.7
71.01385	6.4
71.05031	0.8
71.60746	0.8
73.02947	2.1
73.74183	0.6
78.95911	2.9
79.95708	1.4
80.96512	0.8
81.03477	0.9
82.00414	0.7
83.01391	1.4
83.05032	1.9
83.17258	0.7
84.02148	3.3
85.02966	2.9
87.00870	1.3
89.02431	4.2
96.96020	17.3
96.96978	3.1
97.02965	1.7
97.06587	7.5
99.00923	0.7
99.04521	0.9
99.92592	2.8
101.02448	5.6
109.06604	1.5
111.08169	7.3
113.02479	3.3
114.93362	0.9
116.92054	1.5
116.92859	17.7
117.01923	2.6
117.91121	0.6
117.92892	0.8
119.03477	1.9
121.10230	0.6
123.04572	0.9
125.02466	3.2
125.09728	2.4
126.24430	0.7
127.07638	1.3
137.09727	1.1
151.11325	1.2
153.05476	0.8
153.12822	0.9
161.04556	4.0
165.12830	1.1
169.12326	4.6
171.08812	0.8
171.10275	13.7
181.12320	2.1
183.13876	1.3
185.11847	1.0
193.12344	9.4
195.10110	0.7
197.11835	37.8
198.12172	2.0
199.13388	2.4
207.13742	0.9
209.11838	2.3
211.13390	10.7
221.11708	1.7
223.13232	0.8
225.14977	16.7
225.31178	0.7
226.15237	1.0
227.12968	2.0
235.08275	2.8
243.15970	7.8
253.06598	1.6
253.09291	32.7
254.09633	1.4
263.20169	3.0
265.18121	0.7
273.18588	1.3
289.18137	2.5
291.19702	16.0
292.19916	1.1
300.99960	0.7
305.21286	1.1
307.19022	0.8
309.20721	65.7
310.21140	6.4
323.22198	0.9
325.20242	3.3
327.21979	1.7
341.23331	100.0
342.23602	10.5
450.02802	0.7
497.60925	1.0
545.29712	3.5
559.83032	0.8
577.32538	3.9
578.31860	0.9
633.43921	6.3
634.43793	2.2
869.45996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.6
64.15839	0.7
69.03454	2.0
69.32671	3.5
69.33089	2.9
71.01392	19.6
72.99312	1.3
73.02950	2.4
78.95926	1.7
79.09174	0.7
83.01398	2.4
83.05037	1.2
85.02963	5.0
87.00871	2.4
89.02457	12.6
95.01381	1.4
95.05006	1.2
97.02960	2.1
97.06593	3.0
98.19887	1.2
99.00917	1.4
101.02444	10.4
113.02462	3.9
116.92912	1.1
119.03479	2.6
125.02492	3.5
143.03531	1.3
149.16406	0.7
151.11292	10.6
161.04572	1.7
165.02042	0.7
169.12354	70.2
170.12642	3.5
179.05634	1.5
195.10236	0.8
209.11725	1.2
213.11324	8.5
221.06638	4.0
277.21729	19.5
278.22040	1.4
289.18362	1.1
300.99783	0.9
307.19083	1.1
397.13583	2.1
400.19116	0.7
415.14609	1.7
426.27304	0.8
593.24280	1.5
611.25555	2.9
871.47009	100.0
872.47375	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	3.8
67.01910	1.3
69.30322	4.0
71.01384	1.9
79.95731	0.5
80.96545	0.7
81.03464	0.5
83.01411	0.6
83.05054	1.0
85.02969	0.9
88.98815	1.0
89.02457	1.5
93.03467	0.6
94.98157	0.5
95.01417	0.5
96.96043	1.3
97.02951	0.7
101.02445	0.9
105.40761	0.4
109.02949	2.5
113.02438	0.8
121.02943	0.8
122.72848	0.5
123.00896	1.5
125.02464	2.6
136.01656	0.9
137.02449	22.7
138.02940	0.4
139.04051	0.7
143.03566	0.6
149.02463	0.9
150.03262	1.3
151.00383	8.3
151.03990	1.3
152.01199	1.2
152.04802	0.6
161.02475	1.1
162.03220	0.5
163.03998	1.1
163.11267	0.8
164.01181	1.5
164.04774	0.5
165.01936	100.0
165.05618	2.1
165.12936	0.4
166.02719	20.4
167.03357	1.7
169.01357	0.8
175.03918	0.6
177.01894	1.7
178.02693	0.5
179.03502	16.3
179.07027	1.0
180.04286	59.1
181.05070	26.3
182.05371	1.9
184.03789	0.7
191.03531	0.6
192.04207	0.8
194.05835	3.6
195.03027	3.0
195.06628	73.9
196.06929	3.9
199.05461	0.4
205.05032	1.8
206.05580	0.6
207.06622	1.2
209.08203	1.9
209.11836	10.4
210.05344	11.3
210.12151	5.4
211.05911	1.0
211.12456	0.8
219.06723	0.6
225.07686	79.0
226.08032	4.5
227.12910	2.3
228.13184	0.8
235.08063	0.5
282.05417	0.6
300.99811	1.8
357.09949	0.5
359.10983	1.1
372.11945	0.6
373.13040	0.7
379.12234	0.6
381.12863	0.5
387.10367	3.3
387.15118	2.9
388.11282	0.7
397.13281	1.5
398.13858	1.0
399.14059	1.1
402.13214	1.6
403.13940	9.8
404.14212	1.3
416.14529	0.9
417.15549	23.9
418.15973	3.2
433.14954	0.7
451.16269	3.4
565.19885	0.6
595.21777	10.0
596.22113	1.3
643.24243	2.6
644.24573	0.8
821.29767	0.6
869.37354	1.1
870.29456	0.6
897.82367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.7
64.50734	0.6
68.51666	0.5
69.03469	1.0
71.01387	8.2
72.99310	0.9
73.02947	1.0
80.02679	1.0
81.03455	1.9
83.01392	1.1
83.05024	6.2
84.02164	0.9
85.02959	2.1
87.00895	2.2
89.02450	7.6
94.99730	0.5
95.01359	0.9
95.05048	1.1
97.02961	0.7
98.19842	1.1
101.02468	5.3
112.41602	0.5
113.02446	3.6
119.03528	1.7
123.86384	0.6
125.02512	2.7
125.06040	0.6
131.03514	0.6
135.08147	0.9
143.03532	1.2
161.04581	2.2
163.11308	4.0
165.12845	2.5
171.10281	0.7
179.05595	2.5
181.12341	0.6
191.10817	1.0
209.11839	100.0
210.12164	5.8
227.12891	16.1
228.13200	0.9
235.08272	2.3
287.07639	0.9
289.93820	0.6
379.12485	3.6
397.13513	18.9
398.13916	2.2
415.14572	4.9
437.14218	0.5
589.25183	0.8
607.26227	3.0
629.96289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98554	0.2
63.23279	0.1
71.01389	0.5
79.95740	1.3
80.35477	0.1
80.96546	0.6
94.98155	0.1
96.96013	1.0
125.02490	0.2
125.90228	0.1
164.98685	0.2
165.01964	0.2
166.71849	0.1
175.02531	0.3
197.74899	0.1
207.10359	0.2
209.11833	0.3
210.61430	0.1
211.13559	0.2
225.00748	0.1
225.11456	0.1
229.34538	0.2
231.48405	0.1
249.03995	0.1
263.05927	0.2
301.00000	0.2
868.41547	0.3
869.39685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	6.1
67.01897	0.9
69.19382	0.3
69.36234	3.1
71.01371	1.7
78.95924	0.5
79.95763	0.6
80.96516	0.6
81.03464	0.5
83.05009	0.5
85.02935	0.6
88.98805	1.1
89.02458	1.1
95.01413	0.7
95.24881	0.3
96.96039	1.9
97.02950	0.4
98.20560	0.8
101.02452	1.0
109.02969	1.8
117.88060	0.3
119.03508	0.5
121.02979	0.7
123.00943	1.6
123.04533	0.7
124.01669	0.6
125.02473	1.4
135.04558	0.5
136.01688	0.8
137.02460	22.5
137.54178	0.4
138.02791	0.5
139.00438	0.6
139.03999	0.6
145.02965	0.4
149.02466	1.2
149.06036	0.6
150.03227	1.0
151.00381	9.1
151.04004	1.9
152.01060	0.6
152.04839	0.5
159.04585	0.5
161.02467	0.7
161.04568	0.4
162.03232	0.5
163.04031	1.2
164.01184	1.6
164.04695	0.5
165.01947	100.0
166.02719	21.8
167.03365	2.1
169.01410	0.5
175.04005	0.8
176.01093	0.4
176.04852	0.4
177.01941	1.8
177.05635	0.8
179.03522	16.8
179.07016	0.5
180.04300	56.1
181.05070	27.7
182.05367	1.4
184.03758	0.5
187.04008	1.0
190.02527	0.5
191.03557	0.8
192.04279	1.3
193.05098	0.4
194.05858	3.3
195.03043	2.9
195.06639	72.6
196.07001	3.9
203.03571	0.5
205.05096	1.9
206.05658	0.5
207.06717	0.6
209.08159	1.5
209.11838	8.1
210.05362	11.6
210.12201	3.9
211.05913	1.0
211.12411	0.9
220.07292	0.5
221.08101	0.6
225.07701	76.1
226.08017	5.4
227.12857	1.3
228.13179	0.5
259.15430	0.4
275.01920	0.6
300.99942	1.3
329.10168	0.4
343.08032	0.5
359.11621	0.5
372.11914	0.7
373.13046	0.7
387.10287	3.5
387.15198	3.5
388.11258	0.6
397.13577	1.6
398.13443	1.0
399.14307	0.7
402.13123	2.0
403.14011	10.9
404.14209	1.2
416.14639	1.2
417.15604	25.2
418.16068	3.5
451.16104	3.5
452.16534	0.8
595.21808	7.5
596.22119	1.6
643.24475	2.3
644.24219	0.5
821.30237	1.2
869.37555	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	866.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.46233	0.1
62.98523	0.2
62.99257	0.1
71.01392	0.3
71.60457	0.2
72.99350	0.1
78.95916	0.3
79.95757	0.3
80.96510	0.3
88.98809	0.1
96.95491	0.1
96.96030	0.6
96.96964	0.2
102.90156	0.1
125.02442	0.2
165.01839	0.1
171.10364	0.2
201.11383	0.1
207.10307	0.1
209.11806	0.5
211.13390	0.2
225.00833	0.2
257.21927	0.1
301.00064	0.2
301.18787	0.1
337.62149	0.1
367.86420	0.1
867.39581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44668	0.2
69.45074	1.2
79.95733	0.5
106.38906	0.1
107.01418	0.2
117.03493	0.3
121.02964	0.2
128.37204	0.2
129.03502	0.3
133.03053	0.2
145.02953	1.1
148.01706	0.2
151.00331	1.1
154.34192	0.2
157.02962	0.7
161.02417	0.2
162.06874	0.3
163.04039	0.4
173.02438	1.1
178.99883	0.3
185.02457	2.2
189.01999	0.3
199.00351	0.3
201.01941	1.9
213.01880	0.2
213.64920	0.2
217.01288	0.5
226.99857	0.5
227.03389	0.2
228.00450	0.2
229.01445	3.1
230.01730	0.3
243.03041	0.6
245.00911	1.3
255.02966	1.7
257.00943	1.4
258.61047	0.2
271.02475	3.4
272.03036	0.4
273.00439	0.2
275.01825	0.2
283.99634	2.6
285.00021	0.2
299.99158	2.2
300.02771	8.8
300.99902	100.0
302.00247	7.8
302.03540	0.3
405.16873	0.2
433.07758	8.2
434.08160	1.0
450.00964	0.2
565.12024	5.2
565.20477	0.3
566.12183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	59.2
68.99832	4.0
69.03464	3.4
69.42987	20.1
71.01391	100.0
72.99316	5.7
73.02951	8.3
75.00886	3.4
80.96524	2.8
81.03462	4.3
83.01379	3.8
83.05021	6.3
84.27245	2.2
85.02962	7.7
87.00896	22.8
89.02471	23.0
93.03429	3.0
95.01370	4.1
96.96033	3.3
97.02955	8.3
98.19881	4.9
99.00890	6.5
101.02458	17.4
109.02917	2.3
109.06585	13.8
113.02459	12.5
117.53849	2.5
119.03519	5.8
121.03033	2.6
123.00877	3.2
124.01676	2.7
125.02484	12.3
125.09705	6.3
127.11322	4.9
135.08195	2.5
137.02460	5.2
138.03215	5.7
153.05600	4.3
161.04506	7.2
161.09782	2.7
163.11354	10.5
165.01924	14.6
165.09105	2.4
165.12947	2.3
168.04329	4.9
169.01445	5.3
171.10294	46.4
175.02478	2.3
176.01173	4.6
177.02007	2.6
179.05699	6.1
179.10762	4.0
180.04285	6.1
181.12343	5.7
185.11899	3.7
187.09622	3.6
191.03500	4.9
192.04239	6.4
193.01428	3.0
195.06659	9.1
197.11841	3.1
199.13391	3.3
201.11351	23.5
205.08710	2.6
207.06648	3.3
207.10283	43.7
208.03801	5.0
208.10677	2.4
209.08504	2.5
209.11862	37.0
210.12183	5.0
211.13220	3.1
215.12703	2.7
221.06673	3.8
223.06161	12.6
223.09752	6.8
225.07813	5.0
225.11334	49.2
226.11613	3.3
227.13022	3.3
235.08255	3.2
243.12376	5.3
300.99881	5.1
379.12448	2.6
397.13504	16.7
398.13733	3.3
415.14554	8.8
605.24255	2.8
623.25635	7.5
641.21997	3.0
849.37634	3.8
850.38092	3.2
867.39386	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	866.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.46233	0.1
62.98523	0.2
62.99257	0.1
71.01392	0.3
71.60457	0.2
72.99350	0.1
78.95916	0.3
79.95757	0.3
80.96510	0.3
88.98809	0.1
96.95491	0.1
96.96030	0.6
96.96964	0.2
102.90156	0.1
125.02442	0.2
165.01839	0.1
171.10364	0.2
201.11383	0.1
207.10307	0.1
209.11806	0.5
211.13390	0.2
225.00833	0.2
257.21927	0.1
301.00064	0.2
301.18787	0.1
337.62149	0.1
367.86420	0.1
867.39581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67943	0.5
61.98836	0.8
63.96239	1.3
71.01391	10.7
73.02950	2.4
78.98594	7.1
79.95741	19.3
80.96521	86.1
81.03482	1.1
82.96097	0.9
85.02959	3.9
87.00900	3.7
94.98093	20.2
95.01366	0.7
96.96018	1.5
97.02946	1.5
99.00909	0.6
101.02459	3.7
101.09303	0.6
106.98083	4.1
113.56441	0.5
122.97590	3.4
124.21033	0.5
125.02422	4.6
127.04010	0.9
134.97577	7.0
136.99153	2.0
148.99144	6.3
152.98633	6.9
164.98630	13.8
188.98589	0.7
206.99738	3.9
225.00743	27.0
226.00995	0.9
255.23405	1.3
281.45383	0.6
283.05035	1.1
477.14984	1.0
537.27734	1.9
609.25781	2.6
767.42078	1.0
865.49841	100.0
866.50195	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98523	0.1
65.65762	0.1
66.21418	0.1
66.60674	0.1
69.70213	0.6
71.01382	0.5
72.79327	0.1
72.99348	0.1
78.95925	0.2
79.94642	0.1
79.95774	0.2
80.96523	0.3
83.05080	0.2
88.98778	0.1
89.02442	0.1
94.92467	0.1
96.96050	0.5
98.19963	0.2
109.06599	0.2
125.02486	0.4
137.02467	0.1
150.03226	0.4
171.10353	0.3
194.30074	0.1
203.03488	0.2
207.10304	0.3
209.11833	0.7
211.13441	0.2
225.00865	0.1
225.11301	0.3
231.03047	0.1
249.04092	0.5
275.01987	0.3
300.99698	0.7
457.03262	0.2
526.03192	0.1
791.22748	0.1
843.52185	0.1
867.44739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.2
63.96223	1.6
69.03458	1.0
71.01387	9.1
73.02955	1.7
74.44454	0.5
78.98592	7.5
79.95737	17.4
80.96519	89.0
81.95355	0.6
85.02957	2.2
87.00870	2.8
94.98089	20.8
96.96027	1.4
97.02956	1.8
99.00871	0.8
101.02463	3.0
106.98080	4.9
122.97601	4.0
125.02460	3.9
127.04017	1.0
134.97585	6.8
136.99159	1.7
140.81567	0.5
148.99173	7.7
152.98660	6.7
164.98645	15.3
167.00233	0.8
171.20801	0.5
206.99695	2.5
225.00743	24.6
226.00993	0.8
255.23245	1.3
256.21350	0.6
344.11313	0.6
417.27081	0.6
537.27289	1.6
609.25854	2.1
767.41522	1.1
865.49835	100.0
866.33270	1.3
866.50244	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01708	1.9
61.98835	33.5
69.03459	1.9
71.01384	20.2
72.01729	1.7
73.02930	4.2
75.00852	2.6
78.71754	1.4
78.95918	2.1
80.02673	2.1
80.96504	2.1
81.03463	2.6
83.01401	2.4
83.05025	5.9
84.02194	2.0
85.02963	6.0
87.00879	5.0
89.02460	16.5
93.68854	1.5
96.96014	3.6
97.02942	3.7
97.29724	1.7
98.19866	4.5
99.00925	1.8
101.02454	14.4
102.02702	1.7
109.02980	1.9
109.06578	2.2
113.02482	9.3
116.92868	1.6
119.03512	4.8
119.05085	1.6
125.02466	7.2
137.02509	1.8
139.04008	2.0
143.03479	2.1
153.05612	1.9
161.04585	2.3
163.11249	5.0
165.12929	2.0
169.01373	2.7
169.12323	3.2
176.01060	2.0
177.01915	2.7
179.05621	3.5
191.10869	2.2
192.04269	1.9
197.11847	42.7
198.12213	2.1
207.06522	3.1
207.10162	2.4
208.03802	2.4
209.11855	100.0
210.12187	23.4
211.12231	4.0
221.06580	2.1
223.06096	4.1
225.11327	4.3
227.12868	13.0
228.13222	2.6
229.13130	1.8
235.08276	3.4
237.14984	44.7
238.15332	27.7
239.15579	8.8
255.16013	5.8
256.16330	4.5
257.16660	2.0
267.19876	1.5
300.99997	7.9
350.23553	1.6
379.12506	6.3
397.13538	32.1
398.13919	8.3
399.13904	5.4
415.14633	9.2
416.14920	4.6
417.14844	2.3
588.80420	2.0
607.26276	2.0
613.31940	2.0
640.20435	1.7
671.16895	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	865.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72081	0.6
67.01867	0.8
68.94460	0.5
69.94052	0.7
70.62645	0.6
71.01389	1.7
71.09048	1.0
72.99321	0.6
79.01917	0.6
83.01370	1.0
85.02948	0.8
95.01394	0.7
96.96008	6.3
101.02460	1.2
107.01389	3.5
109.02927	1.3
111.00880	1.2
113.02451	1.1
115.54329	0.5
119.05035	33.9
120.05382	1.3
120.27248	0.6
120.99563	0.7
123.00888	6.0
123.04498	0.7
124.01732	0.6
125.02457	30.5
126.02783	1.3
137.02446	2.1
137.74548	0.6
139.00356	1.8
140.01154	1.2
141.01918	1.4
151.00394	5.7
151.03973	1.6
161.02449	2.3
163.02715	1.2
163.04033	15.9
164.01193	0.8
164.04385	1.0
165.01933	1.2
167.90134	0.6
168.00655	1.5
169.01431	37.7
170.01736	1.5
172.74165	0.5
177.01979	1.4
179.03575	0.9
190.69427	0.6
205.04895	0.6
211.02415	0.9
217.05203	0.6
243.03186	0.6
249.04071	1.3
249.08031	10.6
275.01981	0.9
287.05579	1.3
289.07269	1.4
299.99100	1.7
300.99905	4.5
302.00217	0.8
313.05643	19.2
313.09286	0.9
314.05994	2.2
334.44296	0.6
387.12973	1.2
407.07843	0.8
431.15646	1.3
433.05966	0.6
433.11032	3.1
447.06000	0.8
449.07114	0.7
459.09308	1.0
477.10400	100.0
478.10809	14.2
500.88522	0.7
615.09900	1.9
710.84778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25122	0.6
65.00338	0.8
65.03954	0.9
69.44411	5.1
73.65887	0.6
75.87119	0.7
81.03436	0.7
81.70059	0.6
83.01398	4.0
91.01849	0.7
91.71100	0.6
93.03477	1.1
95.05035	0.9
96.96020	11.3
97.02955	1.9
107.05031	1.9
109.02954	10.1
109.09514	0.6
120.91305	0.6
121.02966	2.2
122.03710	0.6
123.00916	0.7
123.04547	8.1
124.01676	0.9
124.26506	0.6
125.02451	100.0
126.02797	2.9
131.04982	1.2
133.02962	4.2
135.04532	3.6
137.02457	14.6
139.04033	1.5
145.02927	0.9
147.04518	1.2
149.02457	4.5
150.03201	1.2
151.04013	11.4
159.04517	1.6
161.01093	1.5
161.02443	27.9
161.06100	1.6
162.02965	3.0
163.00377	2.0
163.04021	4.3
164.01164	5.2
165.01920	5.2
167.03529	1.4
169.01442	2.4
173.02464	0.6
173.06053	1.2
174.03189	1.0
175.04002	14.4
175.07561	0.8
176.01205	0.8
177.01939	11.3
177.05614	0.9
179.03526	3.6
183.04335	0.6
185.06111	0.7
187.03992	4.8
189.01958	2.1
190.02681	0.9
191.03487	1.4
193.05045	1.4
199.04008	3.0
201.01891	1.4
201.05612	2.2
202.06302	0.8
203.03496	4.0
203.07164	4.3
204.04112	0.6
205.01413	1.3
205.05063	3.3
211.04076	1.2
213.05487	0.7
215.03505	1.0
217.05045	7.9
219.02928	3.4
225.05615	1.2
227.03523	1.7
227.07132	0.9
227.12976	0.8
229.05055	2.7
231.03040	1.8
243.02983	14.0
243.06619	1.5
244.03496	0.9
245.04529	8.4
245.08194	4.4
249.03912	0.8
253.05127	1.4
255.03030	6.8
256.03687	2.3
257.04501	1.8
261.04092	5.8
262.04364	0.7
269.04645	2.6
269.71060	0.6
273.04068	3.1
275.02045	1.3
281.04523	2.2
283.02521	1.0
285.04202	1.3
287.05609	28.5
288.05893	1.7
289.07193	18.3
290.07486	1.8
295.06122	0.7
297.04099	1.7
297.07956	0.7
299.05539	3.4
299.99036	0.8
300.99863	2.9
307.08536	3.3
315.08832	1.5
329.06708	1.0
339.08804	2.2
341.06790	1.7
347.11755	8.9
381.05856	0.8
381.10043	1.1
383.07690	0.8
395.07535	0.9
405.06287	3.6
406.06357	0.7
407.07639	19.5
408.08072	2.4
413.08801	8.2
423.07196	3.9
424.07468	1.1
425.08871	9.5
426.09143	1.3
435.07166	0.9
449.08600	5.5
451.10315	6.6
452.10745	1.0
493.10095	2.3
525.08386	1.7
534.52722	0.9
543.09369	4.2
544.10431	0.7
559.12421	1.2
561.10181	2.6
569.11078	0.9
575.11798	5.7
576.11938	1.1
577.13483	9.4
578.13812	1.4
587.11890	2.0
695.14154	5.9
696.14075	1.2
713.15088	3.2
714.15869	1.2
739.16412	1.7
807.76147	0.7
865.20355	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	865.1986
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
62.82128	0.9
65.00328	0.9
67.01862	1.0
69.33331	1.1
69.33680	8.9
70.62721	1.0
71.55947	1.0
77.57365	0.8
81.03474	1.5
83.01373	2.6
89.00790	0.8
89.03973	0.8
95.01400	0.8
95.54927	0.9
95.92357	1.1
97.02946	2.5
103.16840	0.8
107.05042	1.6
108.02129	1.2
109.02955	12.8
112.68051	1.0
117.03471	1.8
121.02927	2.3
122.03747	1.1
123.04517	8.1
125.02451	100.0
126.02803	3.8
132.02219	1.1
133.02977	5.2
135.04466	1.7
137.02454	15.0
139.04004	1.9
149.02434	4.6
151.04019	11.6
158.03796	1.2
159.04538	2.3
161.02444	34.6
161.06102	1.5
162.03181	2.1
163.00343	3.0
163.04033	4.9
164.01215	5.9
165.01881	5.3
167.03549	1.3
173.05948	1.1
175.03987	13.9
177.01967	11.2
179.03520	3.0
183.04425	1.1
187.04030	4.2
188.04720	2.1
189.01971	2.1
191.03563	1.4
192.24588	1.0
199.03946	3.0
201.05534	2.3
202.06345	1.0
203.03493	3.4
203.07149	4.8
205.01357	2.1
205.04945	3.3
211.03830	1.4
214.02699	1.4
215.03484	2.1
217.01431	1.1
217.05026	7.7
219.02914	4.2
227.03406	1.4
229.04994	2.6
231.03069	1.6
243.02959	19.8
243.06683	1.5
244.03426	1.3
245.04553	10.2
245.08228	5.5
255.00565	1.0
255.02878	5.4
256.03625	2.5
257.04492	2.2
261.04053	6.3
269.04440	2.9
273.04034	1.7
281.04510	1.7
282.01709	1.1
283.02509	2.2
284.03412	1.0
285.04102	2.1
287.05612	33.1
288.05853	2.5
289.03946	1.7
289.07181	25.3
290.07324	2.3
299.05515	3.6
300.99979	1.0
315.08505	1.1
329.06693	1.4
339.08566	2.2
341.06720	2.5
358.98132	1.0
363.05042	1.2
381.09723	1.2
395.07635	1.6
399.28790	0.9
405.06155	5.6
406.06635	1.1
407.07666	22.4
408.07895	3.3
413.08612	6.2
414.08868	1.7
423.07156	3.9
425.08710	13.1
426.08981	1.9
449.08771	5.2
451.10428	8.9
525.08179	2.6
543.09589	2.6
559.12439	2.1
561.10327	2.0
569.10638	1.3
575.11737	6.3
577.13544	11.1
578.13696	2.5
587.12030	2.5
695.13708	7.1
696.14856	1.3
713.14996	3.2
739.16876	2.6
742.76733	1.0
838.75537	1.1
865.19751	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	865.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87618	1.0
69.75668	6.5
83.01381	3.4
87.12848	1.2
93.03463	1.7
95.01354	1.7
95.05022	1.7
95.89458	1.1
97.02952	2.6
107.05051	1.9
108.02171	1.9
109.02952	12.7
117.64369	1.3
121.02960	1.7
123.04564	7.1
124.64308	1.4
125.02454	100.0
126.02758	4.1
131.05077	1.9
133.02913	5.8
135.04555	1.5
137.02472	13.8
139.04030	1.4
147.04515	1.5
149.02408	2.8
151.04019	10.5
159.04507	3.3
161.02455	34.3
161.06052	1.8
162.03081	2.3
163.00401	3.1
163.04024	5.9
164.01167	5.5
165.01971	5.7
167.03535	1.4
169.01456	1.8
174.03120	1.5
175.03990	15.6
177.01949	12.0
177.05685	1.6
179.03394	1.3
182.14941	1.2
187.04013	3.4
189.01978	2.2
191.03398	1.3
193.05035	1.8
199.03990	3.2
201.05620	1.6
203.03514	3.7
203.07121	4.0
205.01375	2.1
205.05083	2.0
217.04973	6.7
219.02956	4.5
227.03577	1.6
229.01384	2.1
229.04884	1.9
231.02924	2.6
243.02972	19.6
244.03346	1.8
245.04572	9.9
245.08112	7.2
246.05017	1.8
255.02908	6.2
256.03601	2.6
257.04428	1.8
261.04138	7.3
269.04434	2.8
271.04550	2.0
273.03961	1.8
275.01932	4.1
281.04449	2.1
285.03891	2.3
287.05615	29.4
288.05991	2.8
289.07214	21.9
290.07620	1.6
299.05505	4.2
300.99878	12.3
341.06586	1.7
363.05225	1.6
401.10944	2.2
405.06058	5.2
407.07767	17.4
408.07898	2.5
413.08789	7.7
417.10083	1.6
423.07333	3.4
425.08932	8.2
426.09140	1.8
449.08725	4.9
451.10300	8.2
478.12088	1.4
543.09448	3.3
561.10535	2.2
575.12073	5.8
576.12030	1.4
577.13379	12.2
587.11920	2.7
695.14227	6.5
696.13770	2.1
713.14825	2.2
739.16760	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	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01704	0.3
69.03461	1.0
69.69126	1.5
71.01391	17.4
72.99316	1.7
73.02946	2.5
75.00874	0.4
78.95933	0.3
80.02673	0.9
81.03464	2.5
83.01402	1.7
83.05034	5.0
84.02173	0.8
85.02956	4.4
86.00114	0.4
87.00874	4.4
89.02452	13.2
91.04013	0.3
93.03470	0.5
95.01386	1.1
95.05044	0.8
97.02960	3.3
99.00888	1.1
101.01779	0.6
101.02451	12.6
109.02946	0.3
109.06593	1.1
111.00883	0.3
111.04518	0.6
112.77925	0.4
113.02460	7.9
113.03245	0.4
116.92876	0.4
119.03520	3.5
124.01666	0.4
125.02461	6.4
125.06076	0.6
131.03526	0.6
133.05064	0.6
135.08211	0.5
139.04036	0.9
141.01939	0.5
143.03519	3.1
145.05130	0.3
149.04578	0.5
149.64201	0.3
153.05627	0.6
161.04572	3.4
163.04099	0.4
163.11282	4.4
165.12851	2.2
167.03502	0.5
172.48175	0.3
179.05643	3.9
181.12404	0.8
191.10750	1.2
207.10292	1.1
208.10425	0.4
209.11839	100.0
210.12178	6.9
217.07082	0.8
221.06650	1.3
225.11311	0.4
227.12891	13.0
228.13210	1.0
235.08229	5.4
245.06761	0.4
253.09390	1.0
255.23303	56.0
256.23648	5.7
259.08243	0.7
263.07785	0.5
269.24911	0.4
287.07703	1.3
305.08679	2.2
323.09796	1.3
331.75433	0.4
379.12466	7.6
380.12820	0.7
397.13516	40.7
398.13843	4.1
399.13724	0.3
415.14590	8.6
416.14990	0.9
589.24957	0.8
607.26050	1.1
635.36749	0.7
653.37946	0.9
654.38184	0.4
863.49146	2.3
864.48987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.2
69.03466	1.0
69.03785	0.1
70.18336	0.6
71.01388	13.9
72.01727	0.3
72.99310	1.1
73.02953	2.4
75.00880	0.3
78.20737	0.1
80.02685	1.1
81.03460	2.4
83.01395	1.8
83.05032	5.8
84.02161	0.9
85.02955	3.7
87.00877	3.5
89.02450	11.6
90.02795	0.2
93.03448	0.4
95.01396	1.2
95.05030	0.9
97.02961	2.5
98.19939	0.2
99.00900	0.9
99.04510	0.3
101.02449	10.5
102.02811	0.3
109.03001	0.3
109.06574	0.4
111.00930	0.4
111.04514	0.5
113.02461	6.9
114.02785	0.2
115.04005	0.2
116.92905	0.2
119.03501	3.3
121.02979	0.3
123.00933	0.2
123.04524	0.4
124.01688	0.5
125.02456	6.0
125.06087	0.7
125.09704	0.3
127.04008	0.3
131.03519	0.6
133.05064	0.3
135.08195	0.8
137.02423	0.2
139.04027	0.7
141.01942	0.3
143.03513	2.2
147.11774	0.3
149.04572	0.4
151.04033	0.2
153.05600	0.6
153.12944	0.2
161.04575	3.0
163.11292	4.4
164.11589	0.2
164.42741	0.2
165.12868	2.5
167.03522	0.4
169.05006	0.2
173.09784	0.2
175.04427	0.1
179.04002	0.3
179.05608	3.5
180.06049	0.2
181.12358	0.9
185.04451	0.2
191.10785	1.1
199.06184	0.5
199.13400	0.4
209.11838	100.0
210.12170	7.3
210.14206	0.3
217.07173	1.0
221.06659	1.3
225.11418	0.2
227.12909	14.1
228.13240	1.0
235.08235	4.5
236.08644	0.2
245.06752	0.5
251.12938	0.9
253.09373	0.8
254.59259	0.2
255.23308	42.7
256.23672	4.3
259.08276	0.7
263.07806	0.4
269.24951	0.4
272.31528	0.2
287.07700	2.0
301.09476	0.2
305.08792	1.9
320.94296	0.2
323.09744	0.9
361.11438	0.2
379.12479	6.5
380.12897	0.9
397.13504	30.0
398.13882	3.2
413.18390	0.2
415.14627	7.8
416.14969	0.8
589.25183	0.7
607.26007	1.3
608.25769	0.2
619.33557	0.2
635.36725	0.5
653.37543	0.7
863.48822	1.5
864.49658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99856	0.5
69.03464	1.2
70.23863	1.0
71.01392	15.5
72.99332	1.8
73.02966	2.6
75.00887	0.6
80.02702	1.1
81.03474	1.9
83.01392	2.2
83.05038	5.1
84.02186	0.4
85.02963	4.1
87.00887	4.3
87.04451	0.4
89.02453	13.3
89.43565	0.4
91.03983	0.3
93.16020	0.3
95.01412	1.5
95.05025	0.9
97.02946	2.5
97.06651	0.3
97.40401	0.3
99.00904	0.6
101.02454	11.2
104.34061	0.4
107.05047	0.5
109.06636	0.4
111.04561	0.5
113.02453	6.9
119.03492	3.2
119.04967	0.4
125.02451	5.7
126.61266	0.3
131.03481	0.7
135.08133	0.5
139.04024	0.9
143.03513	3.1
145.05095	0.4
161.04558	3.7
163.11296	4.3
165.12877	1.9
167.03462	0.4
179.05643	3.3
185.04633	0.5
191.10760	0.8
199.06091	0.4
209.11841	100.0
210.12151	6.0
211.13472	0.4
214.31924	0.4
216.68080	0.4
217.07191	1.0
221.06691	1.3
227.12897	10.4
228.13281	0.6
233.65024	0.4
235.08203	5.1
245.06628	0.4
253.09442	1.2
255.23309	57.5
256.23645	5.2
259.08295	0.6
263.07709	0.6
269.24960	0.9
287.07684	1.8
305.08823	1.6
323.09866	1.4
379.12430	7.7
380.12802	0.7
397.13528	37.7
398.13834	2.6
415.14606	7.6
416.14917	0.5
589.25336	0.4
598.35803	0.5
607.26276	1.2
653.37653	1.3
881.88153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	2.8
69.03468	0.8
71.01389	14.7
71.60017	0.3
72.99331	1.5
73.02953	2.2
75.00861	0.6
80.02670	2.1
81.03470	2.1
83.01411	1.6
83.05035	4.5
84.02188	1.6
85.02963	3.3
87.00867	3.0
88.98859	0.4
89.02450	12.2
93.03458	0.5
95.01414	0.8
95.05040	0.8
97.02977	1.6
98.19772	0.8
99.00905	0.7
101.02454	8.6
101.03086	0.7
109.06599	0.7
111.00915	0.4
112.98872	0.5
113.02478	5.0
119.03516	3.2
121.02973	0.4
125.02452	4.8
125.09686	0.4
129.01945	1.1
131.03539	0.7
135.03061	0.5
135.08159	0.4
139.03995	0.6
141.01981	0.5
143.03519	1.6
161.04526	2.0
163.11327	3.1
165.12845	1.9
167.03468	0.4
171.10292	1.0
179.05650	3.3
181.12416	0.5
191.10808	1.0
193.15973	1.5
199.13484	0.9
206.11925	0.4
209.11848	79.5
210.12169	5.7
217.07254	0.6
219.13925	1.4
221.06657	1.0
227.12901	10.0
228.13254	0.9
235.08228	3.3
237.14973	100.0
238.15306	8.2
247.13545	0.4
253.09474	0.6
255.16028	16.6
256.16351	1.4
263.07980	0.5
265.14261	0.5
275.16479	1.1
287.07730	1.2
300.99783	0.7
305.08807	1.7
322.30157	0.4
323.09830	1.0
379.12521	3.2
397.13510	30.0
398.13980	3.2
415.14600	9.2
416.14957	1.3
603.66943	0.5
635.28790	1.1
751.64417	0.5
759.61462	0.4
800.39087	0.4
827.40649	0.8
828.40118	0.5
845.40735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	17.5
61.98842	3.5
62.54425	0.2
65.83383	0.2
69.44321	1.6
71.01398	1.1
77.38137	0.2
78.95894	0.3
81.84023	0.2
85.02977	0.3
87.00886	0.7
88.00430	1.0
88.98818	100.0
89.02445	1.6
89.99133	1.3
93.82202	0.2
96.96021	0.5
98.19831	0.4
101.02459	0.4
114.98672	0.2
119.03506	0.3
125.02445	0.7
125.64815	0.2
136.69702	0.2
137.90433	0.3
165.58728	0.2
175.02512	0.4
179.15442	0.2
191.59515	0.3
201.01854	0.2
209.11841	3.9
210.12128	0.4
211.13499	0.8
227.12979	0.6
235.08252	0.4
237.14926	1.4
253.09427	0.5
300.99997	0.7
327.21808	0.7
353.67303	0.2
397.13495	0.7
435.67194	0.3
437.99109	0.3
447.22180	0.3
475.53723	0.4
545.19727	0.3
774.36835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29864	0.4
68.84751	0.3
70.08724	0.3
70.20904	0.4
70.32042	1.4
71.01386	3.8
71.05025	1.4
83.01368	0.4
85.02962	1.0
87.00898	0.4
89.02447	4.4
95.01440	0.5
96.96036	0.8
99.04533	4.5
101.02460	3.6
107.01408	1.3
111.00913	0.5
113.02465	2.0
117.05591	9.5
119.03524	2.1
123.00881	1.2
125.02454	12.0
126.02773	0.4
136.98793	0.4
137.02441	0.7
138.75507	0.3
139.00424	0.6
140.01178	0.8
147.80844	0.3
151.00406	0.9
159.06598	0.4
161.02469	0.5
161.04633	0.5
167.03537	0.6
168.00682	3.7
168.94006	0.5
169.01436	16.8
170.01859	0.4
175.03966	0.4
177.01988	0.8
179.05580	0.5
184.73843	0.4
193.01566	0.7
211.02492	22.2
212.02847	0.8
241.03711	0.5
249.03889	0.4
271.04596	38.3
272.04944	2.6
275.02225	0.4
279.10858	25.0
280.11188	1.3
300.99942	1.0
305.06979	0.9
313.05576	2.2
331.06662	3.3
431.11954	100.0
432.12314	10.2
457.02142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	0.4
61.98833	7.9
69.28135	3.7
70.76749	0.3
71.01389	9.3
72.99310	1.5
73.02943	1.5
74.62572	0.3
75.00883	0.4
78.95868	0.4
83.01382	1.1
83.05050	0.4
85.02949	2.3
87.00882	2.7
88.98821	2.9
89.02448	8.1
94.64014	0.3
95.01370	0.5
97.02962	1.5
99.00900	0.7
101.02451	5.8
110.54704	0.4
113.02440	3.6
119.03511	1.8
125.02456	3.5
129.01918	0.4
143.03488	0.6
161.04544	2.4
167.14436	0.6
171.10271	0.8
179.05627	1.8
183.13911	6.9
184.14259	0.4
193.12352	1.6
209.11865	1.0
211.13400	100.0
212.13750	6.5
217.76872	0.4
221.06744	0.5
235.08188	2.6
259.08228	0.6
287.07767	1.5
305.08875	1.1
323.09729	0.6
379.12500	4.9
380.12805	0.5
397.13531	18.0
398.13870	1.8
411.46875	0.4
415.14691	4.0
416.14914	0.5
591.26483	7.2
592.27069	1.6
609.27679	8.3
610.28687	1.8
643.12079	0.4
785.39740	1.5
785.61865	0.5
803.40796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.21
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89862	0.4
69.47156	2.6
71.01392	1.9
71.02851	0.4
73.02949	1.1
77.62783	0.4
85.02974	1.1
87.77541	0.3
89.02476	1.0
95.01404	0.7
101.02480	0.4
108.02181	25.6
109.02972	10.5
113.02499	0.5
121.02964	0.4
123.00882	2.0
125.02456	4.2
139.00369	0.6
151.00371	1.4
151.03990	1.5
152.01160	52.1
153.01738	2.2
163.04007	1.5
169.01428	5.5
177.01862	0.4
179.03537	0.6
205.69370	0.3
211.02480	0.7
241.07185	3.2
271.04535	0.9
285.06171	0.7
300.99979	0.5
313.05786	1.6
387.09158	0.5
417.10394	100.0
418.06366	0.2
418.10721	9.2
445.09830	12.0
446.10181	1.4
495.70419	0.3
580.39203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43766	0.7
69.03454	2.1
69.72359	0.6
71.01386	24.4
71.05010	0.8
72.99322	2.3
73.02950	4.0
73.39860	0.9
74.99258	0.7
80.02677	1.4
81.03468	3.3
83.01382	3.6
83.05032	2.6
85.02950	6.3
87.00886	7.2
89.02455	18.9
90.10645	0.6
95.01402	2.8
95.05053	1.3
97.02958	13.3
99.00884	3.2
101.02454	20.7
107.05011	1.2
109.06596	27.0
110.03729	2.1
110.06942	0.9
111.00874	0.7
111.04509	1.4
113.02460	10.0
119.03482	4.7
120.65553	0.7
121.02971	0.8
121.06577	1.2
123.04556	1.1
125.02446	9.6
125.09711	0.7
131.03473	0.9
135.08113	3.5
136.05315	3.2
139.04056	1.3
140.86797	0.7
141.01979	1.7
142.02747	2.1
143.03502	2.6
145.10356	0.8
149.04523	1.2
151.04048	0.7
153.05588	2.1
161.04561	4.3
161.09703	1.8
163.11293	18.0
164.11600	0.8
179.05600	4.9
181.12370	4.0
189.09256	3.4
207.10265	100.0
208.10573	6.1
209.11850	2.5
217.07161	1.1
221.06746	1.3
225.11313	33.8
226.11624	2.2
229.31548	0.9
235.08212	5.7
239.08189	0.7
243.12306	1.9
253.09373	1.3
255.23303	76.0
256.23645	6.1
263.07870	1.0
287.07620	2.3
299.15005	1.2
305.08704	2.5
323.09790	0.9
353.72961	0.7
378.25299	0.7
379.12570	7.3
397.13516	47.8
398.13794	3.5
415.14661	12.0
416.14841	1.0
473.80054	0.7
605.24396	5.2
623.25598	3.6
635.36218	1.1
653.37592	1.4
654.38324	0.9
843.47607	0.9
861.48468	56.8
862.49005	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	861.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	16.8
61.98840	1.6
62.40128	0.3
69.40855	2.4
71.01401	0.5
72.99318	0.5
75.00887	0.6
78.95911	0.4
82.89647	0.3
85.07244	0.3
87.00887	0.8
88.00412	1.5
88.98811	100.0
89.02443	2.4
89.99148	1.1
103.48024	0.3
165.50174	0.3
171.10286	0.8
174.01462	0.3
207.10481	0.3
209.11798	1.2
219.92973	0.3
289.17902	0.4
300.99902	0.4
307.18915	0.3
309.20856	0.4
445.25922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37434	0.7
69.03455	2.2
70.31768	0.9
71.01389	26.9
71.05003	1.3
71.61596	1.1
72.99313	2.1
73.02962	3.9
80.02691	1.1
81.03481	4.4
83.01389	3.9
83.05027	3.2
85.02965	8.6
87.00883	5.2
89.02456	23.7
95.01389	2.0
96.76266	0.8
97.02964	14.5
99.00881	3.8
99.04521	0.9
101.02456	18.6
109.02979	1.0
109.06599	36.5
110.03777	1.4
110.06922	1.1
112.16322	0.9
113.02455	13.9
119.03517	6.5
121.06592	2.6
123.04498	0.9
123.08129	0.8
125.02456	10.2
125.09731	1.2
125.64652	0.8
131.03528	1.1
135.08188	4.2
136.05283	1.9
139.03999	1.9
141.01923	1.8
142.02660	1.9
143.03522	4.7
149.04524	1.0
149.34610	0.9
153.05580	3.3
161.04568	5.1
161.09766	1.7
163.10001	1.6
163.11293	19.2
167.03537	1.0
179.05608	6.8
179.10764	1.1
181.12370	3.9
189.09175	2.0
207.10277	100.0
208.10640	6.0
209.11787	3.0
221.06572	2.3
221.11754	1.1
225.11334	34.1
225.13550	1.6
226.11700	2.5
232.94464	0.8
235.08212	6.5
241.14485	0.9
243.12364	1.6
253.09312	1.7
255.23315	81.0
256.23657	8.4
263.07843	1.7
269.24969	1.5
281.13922	1.4
287.07758	1.6
305.08813	2.2
323.09799	1.9
379.12500	8.5
383.22287	6.1
383.47464	0.9
385.03488	0.9
397.13544	54.9
398.13971	4.3
415.14554	15.0
416.14804	1.5
506.91324	1.0
587.23529	1.2
605.24585	5.3
623.25464	3.3
635.36847	1.3
653.37335	2.3
654.37482	1.1
743.21667	1.0
843.47363	2.6
844.48340	1.2
861.48572	56.4
862.48779	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	0.4
62.17435	0.3
69.27977	2.8
71.01378	0.3
73.02956	1.9
79.95737	5.0
80.96510	0.4
89.02458	0.3
95.95227	3.1
96.96013	100.0
97.95930	0.5
98.19865	0.7
98.95600	1.2
109.02943	0.5
121.32632	0.3
122.97583	2.0
123.00857	0.4
125.02475	1.1
131.10561	0.3
135.04565	0.7
137.02411	0.9
150.03262	0.4
151.00359	0.9
151.04059	0.3
161.02365	0.3
165.01930	2.2
165.05542	0.7
166.02597	0.7
166.06297	0.6
169.01392	0.8
179.03477	0.9
180.04332	1.8
181.01335	0.3
181.04961	1.0
181.12308	0.4
194.05772	0.4
195.02965	0.3
195.06656	2.2
205.19987	0.3
210.05417	0.4
211.13394	1.0
225.07776	1.6
226.07961	0.4
247.10100	1.0
249.04094	0.8
255.16026	6.0
262.08795	0.6
273.11679	0.9
275.09537	0.6
287.05524	0.4
291.09085	34.5
292.09479	2.9
293.08881	0.5
300.99823	1.0
335.11691	64.5
336.12021	6.2
359.14844	0.4
367.01187	1.0
403.13672	0.4
451.14661	0.4
823.30939	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	857.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89782	1.1
69.90193	3.4
81.03451	0.9
81.46366	0.7
83.01395	2.3
84.82018	0.6
88.98792	1.3
91.05569	1.2
93.03490	4.1
95.01376	0.9
95.05050	1.9
96.96017	28.0
97.02958	1.4
98.95580	0.7
105.03458	1.9
107.01388	0.9
108.02184	10.9
109.02975	32.1
110.03277	0.9
113.78150	0.6
117.03467	3.1
119.05029	3.0
121.02972	6.9
122.03771	2.2
123.00914	1.7
123.04539	24.5
124.01707	0.8
125.02481	4.9
131.05055	0.7
133.02968	10.3
134.03674	0.7
135.04558	5.4
137.02460	4.7
138.03235	0.7
139.04041	4.4
145.02959	2.6
146.03763	1.0
147.04524	2.0
148.01646	1.7
148.05322	1.5
149.02457	26.9
149.06104	1.1
150.03268	5.7
151.00389	1.6
151.04025	13.1
152.04564	0.8
154.83553	0.7
159.04526	2.0
160.05301	1.1
161.02463	100.0
161.06097	1.9
162.03055	6.3
163.04027	66.9
164.01228	0.9
164.04446	3.2
165.01942	7.1
165.05544	5.3
166.02783	4.0
169.01410	1.8
171.04587	0.9
172.05362	1.3
173.02449	1.6
174.03229	3.0
175.04019	10.5
176.04596	1.1
177.01938	1.2
177.05579	2.3
179.03540	3.7
180.04356	3.6
181.05083	6.1
185.06078	1.1
187.04027	2.2
187.07544	1.3
188.01170	3.1
188.04813	1.7
189.01941	11.1
190.02721	1.3
191.03551	3.6
195.06627	8.0
196.07100	0.7
200.04781	0.9
201.01988	3.2
201.05598	1.6
202.02739	8.8
203.03517	12.8
203.06967	1.7
204.03911	0.9
205.05022	3.5
216.04236	2.1
219.02945	1.5
225.05721	1.2
225.07611	3.8
228.07870	0.9
229.05138	0.9
238.06519	0.9
241.05190	0.9
241.08717	1.0
247.06122	1.6
257.07983	0.8
270.05362	2.0
271.06241	0.8
273.07755	1.4
282.05457	1.0
285.07755	3.4
285.10944	0.7
287.09299	1.7
289.07169	4.5
291.09103	15.4
292.09488	1.2
297.07614	1.7
298.08557	0.8
300.99957	2.2
303.08725	2.1
307.06180	2.3
310.04742	0.9
313.07214	25.5
313.10837	1.6
314.07715	2.9
315.08859	2.7
325.07193	45.3
326.07532	5.8
327.08789	4.2
329.10434	1.6
331.08267	1.1
339.08722	5.9
341.10281	2.0
343.08270	7.3
344.08716	0.9
344.12622	2.4
357.09799	7.4
357.13519	0.9
358.10168	1.0
359.15155	1.9
371.15057	1.8
387.14594	1.5
417.15637	2.6
437.12500	9.3
449.12442	10.4
450.13101	1.8
467.13501	88.5
468.13849	11.9
483.18893	2.7
695.14618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.4
71.01402	4.0
72.99285	0.7
73.02934	1.2
75.00861	0.6
78.95912	0.7
79.01884	0.9
83.01405	1.1
85.02970	1.6
87.00872	0.9
93.03415	0.6
95.01395	2.4
96.80857	0.5
96.96027	1.6
96.96978	0.6
97.02934	1.1
99.00870	0.8
101.02456	2.1
107.01402	6.0
111.00887	2.8
113.02454	2.6
123.00889	16.1
123.04561	0.8
124.01680	12.2
125.02454	28.8
126.02782	0.6
127.00371	1.3
136.98825	1.7
137.02444	1.2
139.00363	5.1
139.04013	5.1
140.01204	4.1
141.01898	1.8
151.00385	10.0
161.22430	0.7
167.03447	1.1
168.00659	5.3
169.01421	32.9
170.01782	1.6
181.04930	0.6
183.03044	4.8
183.04451	0.8
193.05022	1.0
197.64584	0.6
203.03477	0.8
203.16733	0.7
211.02531	2.2
225.04030	1.4
231.02869	0.7
249.03954	1.1
253.03568	0.7
275.01978	1.7
285.06177	0.9
297.06128	1.1
300.99933	6.2
302.00211	1.1
306.07599	1.0
313.05627	6.9
327.07211	2.2
403.12454	63.5
404.12869	7.6
428.43942	0.7
453.10364	100.0
454.10635	10.9
455.10291	0.8
489.49438	0.7
604.77710	0.6
741.75891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.8
67.01875	0.8
71.01384	2.6
73.02956	1.0
79.01960	0.5
81.69145	0.4
83.01382	1.4
85.02973	1.3
86.44375	0.4
95.01385	1.4
101.02437	1.6
107.01390	3.8
108.02241	0.9
109.02942	1.6
111.00909	1.1
113.02488	0.7
121.02927	1.3
123.00893	6.8
125.02462	9.1
126.02789	0.4
135.00848	0.9
136.98822	0.8
139.00369	2.8
140.01176	2.2
141.01952	0.8
144.57547	0.4
146.91684	0.5
148.01648	0.9
149.02394	0.6
151.00380	14.6
152.00705	0.5
152.13414	0.4
153.01935	0.5
161.24092	0.4
163.00383	2.0
168.00700	2.2
169.01450	11.9
170.01717	0.7
178.99861	4.4
183.04457	0.6
187.03999	0.6
211.04039	0.8
216.04245	0.8
217.20212	0.6
223.02402	0.5
226.02724	1.2
227.03485	0.9
229.04909	0.9
229.37093	0.5
240.33870	0.5
243.03012	5.2
244.03300	0.9
245.04489	1.5
254.02159	1.0
255.03020	15.5
256.03421	1.3
271.02493	32.7
272.02982	3.3
273.04108	0.7
283.02380	1.1
299.02029	0.6
300.02774	70.5
301.03491	44.6
302.03851	3.0
313.05655	1.6
329.13681	0.5
374.46002	0.5
421.11432	75.5
422.11761	9.0
433.07773	100.0
434.08087	11.0
439.10703	1.7
639.48438	0.5
697.82062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	7.8
62.35841	0.6
64.56134	0.6
69.03458	2.0
70.65704	0.6
71.01387	8.7
71.60652	1.2
73.02941	2.3
78.95894	2.3
80.96541	0.8
82.95430	0.8
83.01376	1.1
83.05032	1.2
85.02965	6.8
87.00904	1.6
88.98810	0.9
89.02447	5.9
95.05035	1.0
96.96017	6.2
96.96955	1.0
97.02966	1.6
97.06587	4.0
99.00872	0.7
101.02451	8.1
111.00858	0.9
111.08162	10.6
112.08478	0.6
113.02512	3.1
116.71825	0.7
119.03504	1.8
121.10178	0.6
122.26884	0.6
123.67749	0.7
125.02465	2.1
125.09716	2.2
127.07610	0.7
127.11275	1.7
137.09715	1.6
143.03502	0.9
153.09221	0.7
153.12842	1.2
155.10739	1.4
161.04582	4.1
162.56792	0.6
163.11279	0.9
164.87820	0.6
165.12880	1.5
167.14342	0.7
169.01375	0.7
169.12387	4.4
171.10280	20.9
172.10591	1.2
177.12885	1.3
179.05550	0.8
179.10777	1.0
181.12329	2.5
183.13898	2.6
185.11839	1.8
193.12326	1.4
197.11841	48.9
198.12216	2.9
199.13435	2.7
201.11221	0.9
209.11839	6.9
211.13416	26.0
211.15405	1.5
212.13750	1.7
221.11816	2.5
225.00781	0.6
225.11369	3.9
227.12881	2.9
229.14450	13.3
235.08211	6.4
239.12917	2.2
247.20636	0.8
253.09291	42.0
254.09644	1.5
263.20081	2.2
265.18146	1.4
273.18567	1.0
275.02014	1.0
291.19656	18.4
292.20078	1.9
293.21185	1.6
301.00012	1.6
309.20721	100.0
310.21024	11.5
321.66489	0.8
327.21774	99.4
328.22095	9.8
332.57166	0.6
343.21194	1.1
444.76010	0.7
447.87177	0.6
447.96225	0.6
545.29803	3.8
546.30133	1.0
563.30762	5.4
564.31067	0.9
619.42096	4.6
620.42670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47036	1.1
61.98825	3.9
66.35654	1.2
69.03451	3.5
71.01382	15.2
73.02950	3.4
78.95895	2.7
80.02660	1.5
81.03479	2.3
83.01386	5.0
83.05024	3.7
84.02199	1.2
84.78317	1.2
85.02937	4.2
87.00900	2.5
89.02445	8.1
95.05022	1.9
96.96052	1.3
97.02940	3.3
97.06611	6.8
98.19794	1.7
101.02444	8.3
107.76980	1.0
109.02937	1.4
109.06599	2.5
111.04517	1.5
111.08160	22.2
113.02437	4.8
116.92850	2.6
119.03435	1.8
119.08659	1.3
121.06593	1.7
123.04523	3.3
123.08179	1.6
125.02453	4.6
125.09734	9.7
127.07650	2.9
135.08179	1.3
137.06062	1.5
137.09709	3.0
141.09190	1.2
141.12904	1.3
145.05081	1.3
149.06108	1.6
151.11273	4.0
151.63341	1.2
153.05551	1.6
153.12796	2.2
155.10860	1.2
161.04564	3.5
161.09729	1.7
163.11305	8.2
165.12854	4.2
167.10822	3.7
167.83391	1.1
169.12354	8.7
171.10303	5.7
179.05589	1.7
179.10736	1.6
179.29370	1.2
181.12334	4.3
183.13927	1.7
185.11841	9.4
191.10680	1.7
191.14449	9.0
193.12344	2.6
197.11832	100.0
198.12146	6.3
199.13441	6.0
207.10274	2.7
209.11821	26.0
210.12106	2.1
211.13399	15.3
212.13794	1.1
225.11324	3.3
227.12886	10.7
235.08220	5.1
237.11292	3.7
245.19135	17.5
246.19437	1.2
247.20490	1.6
253.09290	30.6
254.09624	1.6
255.23367	9.6
259.17099	1.0
263.20142	11.5
265.17960	2.6
271.16940	2.6
273.18420	1.8
289.18103	63.8
290.18503	5.9
291.16608	2.2
291.19687	30.1
292.19955	4.7
293.21228	8.3
307.19156	49.3
308.19363	5.3
309.20721	79.7
310.21045	8.6
341.23279	4.3
342.23364	1.2
345.03732	1.4
401.23257	3.2
445.20477	2.0
452.27859	7.5
543.28351	1.3
853.46246	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	853.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	57.5
62.62083	1.1
66.28372	1.1
69.03460	2.6
71.01387	30.8
71.60472	2.1
72.99310	4.1
73.02965	3.4
75.00890	2.1
78.95910	6.7
79.95746	7.1
80.02671	1.6
80.96520	8.2
81.03472	2.5
81.08087	1.1
82.91063	1.0
83.01407	3.0
83.05029	5.5
85.02946	8.9
85.18140	1.0
87.00878	5.5
89.02457	15.6
92.05067	1.1
95.01418	2.2
95.05031	1.6
96.96011	18.7
96.96990	1.8
97.02972	3.1
97.06600	4.9
99.00916	1.3
101.02443	14.0
109.06612	2.2
113.02467	6.2
116.92867	1.4
119.03498	2.5
123.00900	1.7
125.02460	7.5
125.06075	1.8
125.09735	1.2
129.01965	2.8
135.04561	1.3
143.03474	2.0
147.02986	6.2
147.06656	4.2
149.02478	1.2
151.11299	12.3
161.04547	1.8
163.11310	6.1
165.02016	1.6
165.05508	2.9
165.12888	2.2
166.02776	1.6
169.01477	1.8
169.12341	57.3
170.12662	3.7
171.10287	6.6
179.05609	1.4
181.05028	2.3
181.12328	1.2
195.06616	3.0
195.10153	1.3
201.11296	2.7
207.10312	2.7
209.11830	66.5
210.12199	5.1
211.13460	8.1
213.11292	10.7
221.06721	2.4
225.11336	1.5
227.12851	4.3
233.69151	1.2
235.08229	2.4
249.04285	1.4
263.64322	1.1
275.02036	2.1
293.37439	1.3
300.02585	1.7
300.99927	3.7
323.27133	1.2
341.10004	2.6
397.13452	5.7
417.15677	2.8
465.52493	2.5
547.29395	1.5
611.24994	1.8
803.37360	2.0
821.38171	100.0
822.38318	21.9
853.39795	31.6
854.40326	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	853.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.1
69.03461	2.5
71.01382	12.5
71.60481	1.3
72.99319	1.6
73.02969	1.3
77.80148	1.0
78.95918	0.9
80.02682	1.3
81.03444	2.5
83.01379	4.4
83.05023	2.6
84.02177	3.0
85.02949	3.7
87.00877	2.8
89.02458	7.0
95.01381	1.5
95.05034	1.7
96.95991	2.7
96.96970	0.8
97.02995	4.4
97.06587	7.0
101.02443	9.2
103.90483	1.1
109.06573	2.5
111.08168	18.8
113.02443	6.3
116.92850	1.9
119.03506	2.0
121.06543	1.0
123.04532	2.1
123.08114	2.2
125.02428	3.8
125.09715	11.2
127.07681	1.0
135.08118	1.5
137.09744	4.3
139.04054	1.2
145.05003	1.4
151.11276	1.1
153.05585	1.5
153.09247	0.9
153.12869	1.5
161.04568	5.0
163.11302	6.0
165.12865	2.6
167.10771	2.5
169.12350	7.1
171.10287	6.7
179.05582	1.1
179.10744	1.5
181.12328	3.3
185.11827	12.1
191.14351	9.0
193.12326	1.7
195.14047	1.2
197.11836	100.0
198.12201	5.6
199.13434	4.9
204.27634	1.0
207.10210	3.8
209.11836	20.7
210.12166	2.4
211.13397	13.7
213.22383	0.9
223.13478	1.4
225.11298	3.6
225.14923	1.9
227.12881	7.8
235.08177	3.1
237.11345	3.2
245.19092	18.6
253.09305	27.7
253.66997	1.0
254.09682	1.5
263.20172	8.7
265.18021	3.2
271.17053	2.5
273.18561	2.1
275.20007	1.4
289.18100	56.1
290.18414	6.7
291.19687	28.8
292.20016	3.7
293.21234	22.0
294.21527	2.7
307.09344	1.0
307.19144	42.3
308.19498	5.6
309.20731	59.9
310.21002	7.2
325.20190	1.0
341.23346	16.3
342.23621	1.6
366.58051	0.9
415.21146	1.1
445.20795	1.9
529.30017	1.1
617.44299	2.1
853.47272	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	851.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.8
60.40202	0.6
61.98836	6.1
63.84651	0.6
68.99863	0.9
69.03474	1.5
70.05277	1.8
71.01390	72.6
71.05072	0.6
72.01731	0.7
72.47335	0.6
72.99318	1.8
73.02954	7.0
79.11507	0.5
80.02696	1.8
81.03467	2.7
83.01398	2.2
83.05032	8.5
84.02180	1.6
85.02955	6.6
87.00880	6.0
89.02455	15.9
90.69170	0.6
93.03473	1.2
95.01419	2.0
95.05042	2.7
97.02956	5.0
97.06599	1.2
98.20501	0.7
99.00898	2.0
100.12077	0.7
101.02450	14.4
109.06613	5.4
110.03783	1.1
111.00940	0.7
111.04524	0.7
111.08163	0.7
113.02453	8.6
119.03540	3.6
124.01762	0.7
125.02466	6.3
125.06115	1.0
125.09736	2.8
127.11293	3.0
131.03500	0.7
135.08144	1.5
137.09746	0.7
139.07651	0.9
141.01935	1.4
143.03490	2.6
151.11267	0.7
155.10779	2.0
161.04597	3.4
161.09692	1.1
163.11288	11.2
165.09190	1.4
165.12927	3.3
171.10280	33.1
172.10620	1.8
179.05608	3.7
179.10805	1.2
181.12402	4.4
183.10268	0.7
185.11848	1.8
189.09190	0.9
191.10828	0.8
197.11894	2.2
199.06267	0.6
199.09741	0.7
199.13417	1.0
201.11334	21.7
202.11644	1.8
203.05577	0.7
207.10286	17.4
208.10576	1.3
209.11848	100.0
210.12193	6.1
215.12889	2.3
217.23814	0.8
221.06674	2.3
225.11330	35.9
226.11661	2.6
227.12923	11.9
228.13234	0.9
235.08282	5.3
235.13509	0.7
243.12541	3.4
251.12976	1.9
253.09230	1.6
263.07739	0.8
287.07748	1.4
300.99985	0.7
305.08820	1.9
323.09857	0.7
379.12582	3.9
397.13535	30.3
398.13840	2.5
399.21896	1.0
415.14624	8.2
416.15082	1.0
417.22705	1.3
439.14835	1.0
569.24170	0.9
593.34082	0.7
605.24701	1.9
623.25397	5.3
714.29492	0.8
757.83234	0.7
797.36218	1.0
815.37372	3.4
816.37347	1.1
833.38507	4.1
834.39136	1.3
851.39099	4.8
852.39294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98544	0.2
66.41490	0.1
70.70993	0.2
70.71326	0.2
71.01394	0.4
73.02927	0.1
75.87302	0.1
75.87738	0.1
78.09196	0.1
79.95744	0.2
80.96546	0.3
96.96027	0.2
101.02502	0.1
125.02487	0.2
126.16147	0.1
133.80444	0.1
145.50882	0.1
209.11807	0.9
210.12212	0.3
211.13432	0.7
212.13757	0.2
397.13782	0.3
400.94183	0.1
447.04782	0.1
632.89587	0.1
852.41498	0.3
853.40088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.0
69.03461	0.7
71.01386	9.0
72.99315	0.9
73.02965	1.2
80.02682	1.5
81.03468	1.2
83.01402	1.1
83.05029	5.0
84.02180	0.5
85.02962	2.4
87.00874	2.1
89.02453	7.1
95.01407	1.1
95.05015	0.9
96.96029	0.9
97.02963	1.6
97.06642	0.3
99.00880	0.8
100.73056	0.4
101.02456	7.2
109.02938	0.5
109.06622	0.5
111.04585	0.5
113.02468	4.0
119.03503	2.4
120.99744	0.4
123.04557	0.6
125.02448	4.0
125.06121	0.9
125.09754	1.6
127.11324	2.0
131.03467	0.6
135.08179	0.6
139.04022	0.6
143.03519	1.0
147.23764	0.3
150.03149	0.6
151.04022	0.4
155.10779	1.1
161.04523	1.8
163.11310	3.6
164.11525	0.4
165.09277	0.6
165.12843	2.0
167.03487	0.4
169.01399	0.7
171.10292	1.8
179.05690	2.4
181.04990	0.4
181.12395	0.6
183.10359	0.5
191.10768	0.6
199.09781	0.6
199.13449	0.5
201.11334	38.4
202.11636	2.0
209.11838	100.0
210.12169	6.3
221.06769	0.8
224.53798	0.4
227.12907	15.8
228.13226	1.1
229.01457	0.5
229.14491	0.4
235.08263	2.5
253.09175	0.6
275.02005	0.5
280.36505	0.3
287.07739	1.0
289.07181	0.4
299.01093	0.4
300.99936	1.0
305.08841	1.3
306.09030	0.4
323.09927	0.7
379.12427	3.9
397.13516	23.8
398.13831	2.3
415.14597	6.6
415.19781	0.6
416.15036	0.5
467.14417	0.3
581.24597	1.0
589.25122	0.8
599.25757	1.0
607.26318	2.7
608.26172	0.6
791.37335	0.5
799.36511	0.4
817.37744	0.5
830.73102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98835	100.0
62.98542	0.3
62.99265	0.1
63.00995	0.1
66.80454	0.1
68.76704	0.1
69.55901	0.8
71.01395	1.1
73.02952	0.1
78.95910	0.2
78.98611	0.2
79.95736	1.1
80.96515	0.9
83.05032	0.1
85.02960	0.1
87.00874	0.2
89.02471	0.3
94.98112	0.3
95.05043	0.1
96.96004	0.6
101.02493	0.3
111.04535	0.1
113.02433	0.2
125.02479	0.2
163.11328	0.2
164.98625	0.1
171.10275	0.5
201.11389	0.3
207.10359	0.3
209.11813	2.2
215.59985	0.1
225.00787	0.3
225.11276	0.5
227.12956	0.3
300.99738	0.1
379.12531	0.1
397.13516	0.5
415.14581	0.2
440.97113	0.1
454.82657	0.1
523.61389	0.1
537.58752	0.1
850.39081	0.1
851.38324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98835	100.0
62.98539	0.2
69.43400	0.7
70.13172	0.1
71.01407	0.3
75.00881	0.1
78.95914	0.2
79.95773	0.2
80.47375	0.1
80.96534	0.4
85.02998	0.1
89.02442	0.1
101.02496	0.1
113.02465	0.1
116.92860	0.1
164.98878	0.1
171.10339	0.3
197.11847	0.1
207.10315	0.1
209.11821	0.6
211.13411	0.2
225.11371	0.3
227.13023	0.1
243.71234	0.1
275.02090	0.1
300.99991	0.1
342.44406	0.1
833.37445	0.1
850.39392	0.2
851.40540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98834	100.0
62.98533	0.2
63.99272	0.1
69.72433	0.3
69.72845	0.3
71.01396	0.6
73.02952	0.1
74.58717	0.1
78.95930	0.3
79.95752	0.3
80.96513	0.8
83.05054	0.1
96.96026	0.4
98.19910	0.1
101.02452	0.2
113.02436	0.1
116.92905	0.2
125.02464	0.3
137.22844	0.1
142.02756	0.1
148.04906	0.1
163.11319	0.3
164.98677	0.1
169.33118	0.1
171.10313	0.3
176.34109	0.1
196.55479	0.1
197.11899	0.2
207.10254	0.2
209.11873	1.2
210.12157	0.1
211.13365	0.2
225.00897	0.3
225.11354	0.1
227.12996	0.3
239.12914	0.2
274.29636	0.1
301.00110	0.1
377.73026	0.1
397.13705	0.2
751.63794	0.1
851.40668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
65.00318	0.9
71.01398	1.0
79.01920	0.5
83.01382	0.9
86.62620	0.4
95.01399	0.5
96.96017	1.7
97.02944	0.4
98.19726	1.0
98.73468	0.5
101.02427	1.2
107.01408	2.8
109.02981	0.9
111.00880	0.5
112.82316	0.4
121.02972	1.1
123.00937	3.6
125.02441	3.9
126.26906	0.5
135.00807	0.6
139.00374	1.5
140.01166	0.9
145.37210	0.4
148.01672	0.5
151.00392	9.9
151.01645	0.4
153.01921	0.5
161.02513	0.5
163.00375	1.5
163.04008	0.5
165.39980	0.4
165.64603	0.5
168.00603	1.8
169.01399	4.8
178.99892	3.2
183.04550	0.5
203.03433	0.5
211.04063	0.6
225.67442	0.5
225.69891	0.4
226.02588	1.3
227.03461	1.4
230.50552	0.5
242.02264	0.9
243.02997	4.8
244.03351	0.6
254.02277	1.3
255.03017	14.3
256.03448	0.9
271.02478	31.0
272.03058	3.2
287.02094	0.5
299.01938	0.6
300.02771	61.5
301.03476	28.8
301.48639	0.5
302.03906	1.6
311.11899	0.6
313.05713	0.6
313.11777	0.6
316.02280	3.7
317.03024	1.6
387.12985	48.8
388.13348	5.2
463.08832	100.0
464.09164	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	849.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.4
59.33070	0.5
69.03449	1.0
69.70271	3.1
70.25331	0.5
71.01385	14.9
72.99310	1.5
73.02933	1.9
77.66275	0.6
78.17693	0.7
81.03478	1.0
83.01374	1.4
83.05015	1.2
85.02941	3.5
87.00874	2.0
89.02454	11.6
95.01387	0.8
95.05005	2.0
97.02959	1.8
97.06593	5.1
98.19968	1.2
99.00861	0.8
101.02447	8.9
101.57291	0.7
113.02454	4.3
119.03487	2.4
125.02438	3.3
139.04012	1.4
143.03499	1.9
151.11298	10.9
152.11554	0.7
161.04462	1.2
169.12355	42.4
170.12708	2.1
187.15123	0.6
195.10260	0.8
213.11330	5.5
221.06645	1.4
222.54459	0.6
235.08214	1.0
249.14508	0.5
255.23300	49.5
256.23685	4.9
397.13528	3.9
415.14566	0.8
593.24377	1.3
611.25464	1.4
799.13556	0.8
849.48535	100.0
850.48816	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	850.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98835	100.0
62.98532	0.2
66.09745	0.1
69.50776	0.8
71.01391	0.4
78.06534	0.1
78.67918	0.1
78.91915	0.2
78.95918	0.2
79.95750	0.3
80.91678	0.2
80.96529	0.8
85.02986	0.2
87.00893	0.1
94.98136	0.2
96.96025	0.3
98.20602	0.2
125.02463	0.4
139.04051	0.1
151.04007	0.1
151.82755	0.1
153.05609	0.2
164.98630	0.1
169.12383	0.1
171.10223	0.1
202.40715	0.1
207.10254	0.1
209.11867	0.4
210.12317	0.1
211.13347	0.2
224.54562	0.1
225.11424	0.1
291.19684	0.2
301.00388	0.1
309.20850	0.1
419.23862	0.1
792.25879	0.1
850.45404	0.1
851.41486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.2
61.98836	100.0
62.98549	0.1
69.65261	0.2
69.65678	0.5
71.01395	0.6
75.00885	0.1
78.95921	0.5
79.95755	0.4
80.96515	0.9
83.05052	0.1
85.03002	0.1
87.00919	0.1
88.98805	0.2
89.02457	0.2
94.98099	0.2
96.96020	0.9
96.96983	0.2
97.53240	0.1
99.47688	0.1
101.02470	0.2
106.91032	0.1
107.25374	0.1
117.61400	0.1
125.02480	0.2
134.97629	0.2
164.98679	0.2
171.10359	0.3
197.11926	0.1
207.10361	0.2
209.11870	1.1
210.12166	0.1
223.09862	0.1
225.00818	0.2
227.12955	0.2
235.08337	0.1
241.14401	0.1
250.88026	0.1
300.99915	0.3
309.20969	0.2
327.21729	0.2
358.88892	0.1
376.86252	0.1
397.13773	0.2
441.14044	0.2
512.37720	0.1
540.06519	0.1
681.28326	0.3
850.41669	0.2
851.40045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
61.98829	2.1
69.03474	1.2
71.01392	14.0
71.60902	1.8
71.78951	0.9
73.02949	1.7
80.96549	1.1
81.03481	1.4
83.01376	2.0
85.02962	4.3
87.00874	1.2
89.02457	9.8
90.99697	1.0
97.02942	2.3
97.06596	3.3
99.00868	1.5
101.02439	7.9
109.06577	1.1
113.02476	5.5
113.03172	1.3
116.92887	2.0
119.03527	2.8
125.02453	4.2
134.89302	1.0
139.04062	2.1
142.47211	1.0
151.11270	8.3
153.05550	1.6
166.02812	1.0
169.12347	52.1
170.12692	2.9
179.05679	1.1
191.56319	0.9
213.11336	8.4
221.06615	2.9
255.23302	24.2
256.23593	1.9
382.61392	1.4
397.13733	1.2
512.61237	1.2
544.37970	1.0
587.55249	1.0
611.25824	1.1
849.48602	100.0
850.48712	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.6
60.36383	0.8
61.98836	16.4
67.01919	1.3
68.99818	1.6
69.03456	3.3
69.44849	6.8
71.01389	34.8
71.05030	1.5
72.01720	1.1
72.99316	3.6
73.02949	4.2
80.02688	2.1
81.03470	3.9
83.01407	4.6
83.05033	8.8
84.02171	1.9
85.02968	6.5
87.00873	6.4
88.38486	1.1
89.02451	16.6
93.03451	1.5
95.01414	2.4
95.05056	2.6
97.02988	6.6
97.06624	1.5
99.00896	2.6
99.04494	1.3
101.02450	15.2
107.05095	1.0
109.02955	1.9
109.06609	6.8
110.03738	1.4
111.00902	1.8
111.04548	6.2
111.08176	1.0
113.02457	9.9
113.06144	0.9
119.03511	3.3
121.03017	1.5
122.03784	1.3
123.00920	1.8
123.04567	2.0
123.08254	1.1
125.02443	9.1
125.06075	2.0
125.09683	4.4
127.11341	1.5
129.02014	1.4
135.08215	1.9
137.02431	1.5
137.09686	1.6
139.04034	1.4
141.01968	1.8
142.99823	1.3
143.03503	3.5
149.04556	1.1
149.09715	1.1
151.11316	2.9
155.10808	1.7
161.04544	2.9
161.09734	6.9
163.11313	9.8
165.12852	2.5
169.01410	1.8
171.10287	32.0
172.10573	1.2
175.02510	2.1
177.09158	1.7
179.05652	3.7
179.10806	8.8
181.12393	3.7
185.11858	2.3
195.10309	1.2
197.11832	4.2
199.09833	1.6
201.11354	6.1
205.08707	10.5
206.09045	1.3
207.10260	14.0
208.35155	0.9
209.11845	100.0
210.12140	6.5
213.11317	3.1
221.06694	2.2
223.09766	33.9
223.13194	2.0
224.10101	2.8
225.11363	13.7
226.11693	1.7
227.12903	15.0
235.08275	3.7
239.12851	1.1
241.10875	3.3
251.12978	1.1
253.09344	1.2
287.07565	1.2
300.99683	1.1
305.08691	1.3
379.12399	4.4
397.13562	27.3
398.13766	2.9
415.14688	8.9
415.20142	1.5
569.24438	1.7
602.46704	1.0
607.26129	2.6
621.23987	3.9
623.25427	2.5
777.35400	1.8
778.35785	1.7
795.35712	1.6
805.35223	1.6
813.35492	3.8
813.73651	1.2
814.35114	1.5
831.36328	7.7
832.37109	3.3
849.37982	18.9
850.37781	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	849.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.5
61.98833	10.7
68.99811	2.3
69.03457	2.5
70.49127	0.7
71.01390	29.9
72.99307	4.9
73.02966	3.5
75.00874	1.3
79.04530	0.7
80.02695	1.8
81.03447	2.8
83.01389	3.6
83.05029	7.3
84.02183	1.5
85.02956	6.1
87.00881	6.8
89.02455	15.7
93.03468	0.9
95.01407	1.8
95.05013	2.2
96.96019	2.0
97.02950	5.0
97.06596	1.3
99.00883	1.6
101.02450	13.5
109.02961	1.3
109.06593	2.2
110.03722	2.1
111.00896	1.1
111.04532	9.0
111.08121	1.5
113.02462	8.5
115.00374	1.1
116.92873	1.1
117.03477	2.7
119.03498	3.8
119.05045	1.6
121.02977	1.1
122.03790	0.8
123.00887	1.2
123.04559	1.4
123.08151	1.4
125.02467	6.2
125.06078	1.2
125.09713	3.2
126.61219	0.7
126.90352	1.0
131.03476	1.1
135.08139	1.7
137.02448	1.3
137.09682	1.2
141.01936	0.9
143.03464	2.8
144.31851	0.8
145.02956	8.2
149.09633	1.0
151.11298	3.2
153.09216	1.6
158.93933	1.1
161.04562	3.1
161.09709	4.7
163.03972	1.5
163.11285	4.9
165.12849	2.1
169.01468	0.8
169.12401	1.3
171.08778	1.1
171.10271	22.7
172.10631	1.4
177.09213	1.6
179.05627	4.1
179.10774	7.5
179.65565	0.7
185.11891	1.3
187.09729	1.0
191.10835	1.3
193.85632	0.8
195.10323	1.1
197.11815	3.2
199.09709	1.2
201.11366	5.7
205.08722	7.6
207.10242	3.5
209.11835	100.0
210.12126	7.7
211.13449	0.8
213.11310	2.4
221.06619	1.9
221.11821	2.5
223.09781	32.5
223.13179	5.9
224.10085	2.1
225.11269	3.7
227.12901	16.8
228.13033	1.4
235.08209	4.9
235.13385	0.8
241.10847	3.6
241.14447	4.2
251.12901	0.8
253.09232	1.2
287.07593	0.8
300.99960	0.9
305.08978	1.4
379.12494	4.4
397.13501	32.7
398.13892	2.8
415.14639	9.5
415.20566	1.2
416.15109	1.1
433.22546	1.4
551.23895	1.0
569.24286	1.4
589.25281	0.9
601.36133	0.8
603.23706	2.6
607.25830	1.8
621.23999	3.5
649.37360	6.7
650.38000	2.3
651.38135	2.1
805.35944	1.7
813.35083	4.8
814.36285	1.4
831.36816	7.6
832.37286	1.8
834.20917	1.2
849.37622	13.5
850.37988	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	847.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.8
63.96243	2.6
64.97039	0.7
68.03886	0.6
69.03460	0.8
69.48363	4.3
71.01397	10.8
73.02943	1.6
75.09448	0.6
78.98599	8.7
79.95269	0.9
79.95745	19.3
80.96527	100.0
81.03446	0.9
82.96095	1.6
83.01398	0.7
85.02973	4.5
87.00890	5.0
94.98097	20.7
96.96033	1.8
97.02967	1.8
98.19859	0.8
99.00863	0.6
101.02447	3.6
106.98080	4.1
122.97611	5.2
125.02462	4.6
126.02826	0.6
127.04041	1.1
134.97598	6.6
136.99142	1.8
148.99170	6.9
152.98645	9.2
164.98645	16.7
197.11833	0.7
206.99707	2.6
225.00772	21.6
229.01242	0.7
255.23326	2.4
340.44574	0.7
350.54102	0.7
357.94150	0.7
391.54102	0.6
537.27277	0.9
544.81934	0.7
547.17450	0.7
562.77234	0.8
581.46783	0.7
591.24750	1.9
640.68628	0.7
847.48816	97.6
848.49194	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	847.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	5.6
63.96239	2.2
69.03445	0.9
71.01038	1.2
71.01385	10.4
71.40337	1.4
73.02949	2.1
77.16971	0.6
78.98598	9.3
79.95742	21.3
79.96188	1.5
80.96523	100.0
81.03461	1.2
82.96114	2.0
85.02965	4.4
87.00883	3.6
94.98094	23.4
96.76360	0.7
96.96008	1.7
97.02962	1.6
99.00871	1.1
101.02451	3.4
106.98085	4.8
122.97610	4.3
125.02459	3.4
134.97597	6.9
136.99171	2.0
148.99142	9.0
152.98636	7.5
153.70747	0.7
161.04584	0.7
164.98627	16.1
165.98923	0.7
206.99654	2.5
225.00755	22.6
244.64142	0.7
255.23297	2.4
284.64621	0.9
339.26926	0.7
490.45062	0.6
493.24637	0.8
537.27557	1.4
591.25012	2.7
661.83160	0.7
780.43201	0.8
847.48792	98.8
848.49158	30.2
851.51294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
65.00339	1.9
69.39558	5.0
69.39988	2.2
71.01374	4.1
83.01392	1.6
96.96011	2.0
101.06103	1.1
107.01405	7.0
108.02198	1.2
109.02985	2.3
111.00881	0.9
121.02975	2.0
123.00883	4.4
124.01669	1.2
125.02449	36.8
126.02785	1.6
137.02478	0.9
139.00375	2.3
140.01184	1.1
144.68094	0.8
151.00386	12.7
152.00752	0.9
163.00385	2.1
167.03548	0.8
168.00653	2.2
169.01427	59.0
170.01807	2.3
178.99843	4.8
192.00636	0.9
192.53761	0.8
194.64990	1.0
211.02353	4.2
227.03528	3.3
239.03545	1.2
241.03462	4.5
243.03006	6.6
244.03764	0.8
245.04610	1.7
254.02177	2.0
255.02974	18.1
256.03476	2.5
271.02408	34.7
272.02924	3.7
273.03818	1.9
283.02499	1.5
299.01944	1.5
300.02762	66.3
301.03473	53.8
302.03748	5.6
303.03967	1.1
313.05676	28.2
314.05972	2.0
327.08694	1.4
334.18945	0.9
356.09085	1.1
371.07791	6.5
413.14432	1.7
414.14905	2.0
415.06693	26.2
415.12454	88.1
416.07108	3.6
416.12799	8.2
421.11313	3.6
433.07742	100.0
434.08154	15.2
435.08453	2.9
506.85663	1.0
852.40216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.8
61.98828	1.8
69.03477	5.5
71.01392	18.2
71.05039	1.9
72.99313	3.2
73.02934	2.7
73.03316	0.8
75.00883	4.0
80.02695	1.7
81.03461	3.0
83.01393	2.3
83.05033	7.0
84.02173	2.0
85.02966	4.1
87.00888	5.8
89.02450	10.6
95.01415	1.4
95.05022	2.1
96.08853	0.7
97.02957	3.6
97.06578	1.9
99.00894	3.2
101.02458	11.9
111.04511	1.2
113.02459	4.7
115.00388	5.9
119.03490	1.6
123.04543	1.6
123.08162	2.2
125.02437	3.2
125.06200	0.8
125.09740	3.0
128.03545	1.7
135.02983	0.7
135.08234	0.8
143.03444	0.9
151.11281	3.4
151.68304	0.8
153.12787	1.3
155.03993	0.8
161.04546	1.6
161.09755	4.0
163.11336	5.6
165.12828	3.7
166.36385	0.8
169.01390	1.1
171.10272	5.2
172.10617	0.7
172.31351	0.8
175.02493	10.2
179.10800	6.3
181.12308	1.0
197.11844	47.7
198.12169	2.7
207.10265	1.4
209.11844	81.5
209.59964	0.8
210.12151	6.0
221.06644	2.3
221.11858	1.3
225.11311	1.3
227.12920	5.2
229.19327	0.8
241.10800	3.4
253.09251	1.6
285.13467	1.9
300.99908	1.3
345.71625	0.8
397.13535	2.0
398.13565	0.9
401.07819	0.8
415.14856	1.0
639.25195	1.3
713.34302	1.1
731.34888	6.3
771.34564	1.8
831.36407	1.4
849.37701	100.0
850.38135	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
60.45574	0.9
60.58006	0.9
62.84789	0.8
69.37395	2.8
69.37810	5.9
71.01379	2.1
73.31242	0.9
85.02962	1.7
87.00890	4.4
89.21614	0.8
94.60424	0.8
96.96017	2.7
98.20660	1.9
99.04488	1.1
101.02432	1.3
113.02473	1.4
115.13453	0.9
123.04532	1.2
125.02452	4.0
135.08310	0.9
136.05347	0.9
137.02438	0.9
137.09700	1.9
143.56880	0.9
144.00821	0.9
149.02495	1.0
150.06877	37.4
150.62778	0.8
155.10724	1.0
161.09723	1.1
162.06879	5.0
163.07663	13.5
164.08456	8.0
165.09158	0.9
169.01414	3.7
171.10307	1.5
176.08423	1.2
177.09193	2.8
178.09930	2.1
179.10794	20.2
180.11156	1.5
227.50722	1.1
244.52133	1.0
267.36325	1.0
278.18756	0.8
289.64587	1.0
299.18610	1.0
301.00058	4.2
303.05197	1.7
306.18524	1.7
320.20111	1.2
321.20691	1.6
341.23434	2.3
343.21265	4.8
361.57486	1.0
462.29810	2.8
476.31696	5.2
477.32141	14.4
478.32523	2.4
503.29993	2.1
504.31058	3.3
505.31934	2.5
505.52670	1.1
521.31439	2.2
522.32013	8.8
523.32800	24.6
524.32758	4.8
592.28979	1.0
637.52307	1.0
667.37280	1.7
685.38000	9.8
686.38287	2.0
847.43408	100.0
848.43652	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
69.37327	4.6
69.37749	3.5
71.01379	2.2
72.76271	0.9
76.91895	0.9
85.02938	2.8
87.00879	2.8
87.98228	0.9
89.02441	1.0
96.96024	1.8
97.06569	1.1
97.87048	0.9
101.02454	1.4
103.84851	0.9
111.08150	1.2
113.02433	1.1
123.08197	1.2
125.02434	4.6
127.11323	1.2
134.90332	1.1
136.05228	1.4
137.09741	1.3
140.04739	0.9
144.56255	1.0
149.06082	2.2
150.06879	34.7
155.10806	1.9
162.06911	4.7
163.07661	14.3
164.08429	7.3
169.01457	2.3
170.45914	1.0
171.10243	1.4
176.08519	1.5
177.09076	1.9
178.09959	2.7
179.10789	19.2
201.11255	1.3
275.01859	1.2
285.03989	1.0
285.08032	0.9
288.16724	1.0
300.99838	4.2
303.05118	0.9
321.20728	1.6
341.23175	2.6
343.21347	5.5
462.29593	1.5
463.30356	1.3
476.31506	5.5
477.32166	15.9
478.32635	2.3
503.30316	2.9
504.30719	2.1
505.31854	1.5
521.31049	2.7
522.32062	8.1
523.32745	24.1
524.33020	3.1
525.22766	1.3
667.36853	1.5
685.38208	11.3
686.39032	2.0
838.50311	1.0
847.43329	100.0
848.43823	26.5
848.60376	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	845.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98832	1.1
71.05025	4.8
71.60542	1.4
74.81868	0.7
81.03458	2.5
83.01385	1.0
83.05025	3.3
85.02950	3.4
97.02921	1.4
97.06594	1.7
99.04525	8.5
109.02951	3.0
111.04504	1.6
113.02479	1.4
114.61028	0.8
116.92864	1.3
121.03011	0.8
123.04515	2.2
125.02449	4.6
125.06098	1.2
127.04021	13.0
137.02458	0.8
139.04018	3.1
151.03993	2.9
152.04756	2.0
153.05547	2.8
165.05524	0.9
167.03470	3.6
169.05072	2.4
181.05057	0.9
209.11755	2.2
218.76073	1.0
255.23174	1.3
299.20123	2.1
341.24741	1.2
367.22794	5.3
368.23441	1.9
371.22168	1.9
383.25781	2.6
385.23795	2.0
409.23816	2.4
427.24908	100.0
428.25256	15.5
544.57397	0.8
562.21088	0.9
654.73572	0.9
668.61890	1.2
845.45496	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	847.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.1
60.99302	1.8
61.98836	100.0
63.40300	1.4
69.03413	1.4
71.01390	81.3
71.60077	2.0
72.99317	2.8
73.02950	4.4
75.00869	4.5
78.95875	1.7
80.02685	2.8
80.96505	1.5
81.03461	2.8
83.01370	2.1
83.05035	6.2
85.02956	23.8
87.00887	8.6
88.98821	8.9
89.02432	3.5
95.05040	2.2
95.70812	1.2
97.02943	3.2
99.00911	1.8
99.04522	2.2
101.02434	5.8
109.06611	12.5
111.00876	2.3
113.02417	1.8
115.04025	1.6
125.02412	4.0
125.09652	1.9
135.08159	1.7
142.02675	1.4
143.03467	2.3
163.11314	11.2
165.12889	1.8
167.03461	3.4
171.10271	21.2
181.12381	3.2
185.11728	1.9
201.11301	8.8
207.10274	31.2
208.10596	2.5
209.11841	89.2
210.12148	8.5
215.12877	1.3
225.11331	25.3
225.52989	1.3
226.11746	1.8
227.12993	10.5
235.08168	2.9
243.12332	2.2
253.09329	9.0
300.99677	2.1
306.53891	1.6
317.21152	10.3
318.21472	1.4
357.20651	7.3
360.15622	1.3
389.23224	1.4
399.21628	2.3
417.22791	47.2
418.23117	5.4
443.19305	2.4
461.20160	6.3
532.65308	1.7
635.30957	3.6
653.31738	3.1
671.32623	6.9
672.33044	3.2
847.40314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
60.99314	17.8
61.98844	1.9
64.71896	0.2
71.01382	0.5
72.99320	0.3
78.12119	0.2
78.95917	0.3
87.00900	1.5
87.73937	0.2
88.00410	2.0
88.98815	100.0
89.02452	4.3
89.99171	1.2
97.29980	0.2
107.25749	0.2
110.36959	0.2
116.92850	0.5
123.83154	0.3
125.02443	0.3
171.10286	0.3
197.11852	0.4
207.10185	0.3
209.11833	1.9
211.13312	0.2
223.13463	0.6
253.09296	0.5
293.21072	0.3
298.16129	0.2
300.99954	0.3
309.20767	0.7
397.13602	0.4
467.03516	0.4
833.49756	0.3
875.95557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
60.99315	17.2
61.98840	1.4
62.75765	0.2
69.92863	0.9
71.01399	0.3
87.00887	1.2
88.00417	2.3
88.98817	100.0
89.02451	4.1
89.99144	1.0
98.19892	0.2
101.02409	0.2
104.23000	0.2
111.15434	0.2
116.92923	0.2
172.93541	0.2
197.11911	0.3
207.10297	0.3
209.11882	1.5
225.11356	0.3
227.12842	0.4
237.15034	0.2
253.09454	0.2
293.21201	0.2
300.99802	0.2
309.20782	0.5
466.53192	0.3
711.28040	0.2
752.88281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98831	2.0
63.96254	1.7
68.48170	0.6
69.03454	1.3
70.92607	1.3
71.01383	10.7
73.02958	1.9
74.15595	0.6
75.83730	0.5
78.98604	7.6
79.95273	1.4
79.95742	24.5
80.96524	100.0
85.02955	4.0
87.00887	3.9
94.98092	22.2
95.01341	0.7
96.96026	2.3
97.02969	1.3
99.00910	0.7
101.02435	3.6
106.98102	2.5
113.02497	0.6
122.97591	6.0
123.77528	0.6
125.02477	3.1
127.04008	1.6
133.34264	0.6
134.97575	7.0
136.99120	1.5
139.04012	0.9
148.99182	8.1
152.98627	6.8
164.85007	0.6
164.97273	1.1
164.98636	15.0
201.75320	0.6
206.99634	2.9
225.00740	17.0
255.23276	2.4
283.04880	1.0
459.24277	0.8
537.27417	1.2
589.23804	1.4
774.53711	0.7
827.46973	0.7
845.47296	82.3
846.47662	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99326	0.2
61.98833	100.0
62.98515	0.2
71.60504	0.2
80.21412	0.1
88.98814	0.8
89.02421	0.2
115.74625	0.1
116.92895	0.1
125.02475	0.2
129.10373	0.4
146.06168	0.1
146.25171	0.1
155.08289	0.2
165.10381	0.1
197.11810	0.1
207.15097	0.5
224.17848	0.1
242.18874	0.4
259.14581	0.2
295.21509	0.2
301.00119	0.2
384.00281	0.1
481.43097	0.1
499.28918	0.1
782.51910	4.1
783.52283	1.5
868.43762	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	35.9
61.98821	3.1
67.01883	3.0
69.03455	3.6
69.31143	8.4
69.31559	2.7
71.01385	10.5
73.02954	1.6
75.59354	1.2
78.95891	1.5
79.01895	2.2
80.10377	1.3
81.03426	2.2
83.01404	1.7
85.02946	2.9
87.00873	1.5
89.02433	6.1
95.01370	5.7
96.96028	10.5
97.02966	3.5
98.95554	1.4
101.02419	7.2
102.35055	1.2
107.01401	10.3
109.02973	2.5
110.06113	1.1
110.51485	1.1
111.00896	2.2
113.02433	3.8
119.03526	1.9
119.04986	1.3
123.00900	16.2
123.04530	1.8
124.01612	1.4
125.02454	100.0
126.02754	3.3
137.02512	1.9
139.00330	3.4
140.01115	4.9
149.02423	1.8
150.03207	3.9
151.00340	4.2
163.11298	3.8
165.01852	3.5
165.05508	3.0
166.02710	1.7
168.00623	4.9
169.01436	73.0
170.01743	4.1
179.03494	2.6
195.06604	5.1
203.03438	2.2
207.10281	14.2
211.02469	5.6
225.07631	1.5
225.11275	2.4
226.71967	1.3
246.15599	1.3
252.09113	1.2
271.04446	2.3
275.01797	1.5
291.09039	4.1
292.09229	1.5
300.99896	30.9
302.00238	2.8
314.91479	1.2
369.15585	3.4
387.16647	49.3
388.17029	5.6
391.13870	1.2
403.13828	1.5
461.14932	1.3
479.15372	4.0
521.16492	3.5
539.17871	14.8
540.17883	2.0
591.39008	1.3
627.57251	1.5
631.16656	1.9
673.17719	4.0
691.18768	51.4
692.19495	10.8
825.17987	1.6
843.19873	58.0
844.19873	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	845.218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11288	0.1
66.91563	0.1
71.05022	1.8
79.95724	2.3
79.96106	0.2
85.69938	0.2
89.04508	0.2
96.09871	0.2
96.96017	100.0
97.95939	0.5
113.06068	0.2
174.61919	0.2
179.25967	0.2
184.53058	0.2
185.11842	2.0
221.06375	0.3
221.08528	5.2
222.08806	0.4
247.06604	0.3
265.07513	83.6
266.07831	4.7
275.21161	0.2
355.07294	0.2
383.16431	0.2
406.23550	0.2
419.90601	0.2
561.35425	0.2
630.50702	0.2
794.18207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58504	0.2
69.96591	0.8
79.95741	28.1
82.25255	0.2
87.04517	1.5
95.95220	0.4
96.96016	100.0
97.95956	0.5
99.00888	0.4
111.08176	0.6
118.16385	0.2
125.02448	0.4
146.23930	0.2
151.00652	0.3
169.01520	0.3
183.13918	0.4
185.02425	0.3
200.01303	0.2
203.03310	0.2
206.06165	1.2
207.06853	0.4
227.12921	4.5
228.13084	0.2
229.01295	0.3
238.05138	0.5
275.02310	0.3
299.99121	0.5
300.99893	3.8
302.00317	0.5
303.00385	0.4
307.08569	76.4
308.08881	5.5
315.01422	0.5
347.11725	0.7
361.45984	0.3
435.98886	0.2
706.91614	0.3
773.77979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
71.01415	0.3
71.60338	0.2
71.60713	0.2
79.95748	0.4
85.89977	0.2
96.96015	0.6
100.72691	0.2
103.23103	0.2
104.98161	0.2
105.03448	0.2
117.03509	0.4
119.05107	0.2
123.00906	0.4
125.02448	1.7
129.03416	0.5
135.04536	1.5
136.04858	0.2
137.02411	0.2
145.02982	1.0
147.04527	0.4
151.00435	0.4
157.02940	0.6
161.02425	0.4
163.04089	0.4
165.01932	0.3
167.89049	0.2
169.01408	0.8
173.02434	1.0
175.04028	0.2
185.02406	2.5
189.01976	0.6
195.32199	0.2
199.00410	0.2
200.00870	0.2
201.01961	2.1
213.01900	0.2
217.01494	0.3
226.99812	0.5
229.01408	3.4
243.99969	0.2
245.00890	1.2
254.99242	0.4
257.00891	1.7
258.01315	0.3
273.00378	0.3
283.99658	2.8
285.04068	0.6
289.07385	0.2
293.00793	0.2
299.99130	2.1
300.99899	100.0
302.00259	9.5
302.03067	0.1
303.00513	1.0
351.56366	0.2
381.02917	0.8
383.00821	0.8
436.77832	0.2
481.36621	0.2
539.21838	1.6
540.21967	0.3
712.04907	0.2
766.84473	0.2
807.02258	0.3
860.28571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98846	0.3
68.84364	0.3
71.01373	0.6
79.95750	0.5
84.94917	0.4
96.96017	1.4
101.02415	0.3
109.02972	0.4
119.05046	0.4
125.02455	2.9
133.02979	0.3
135.04521	1.1
140.01099	0.3
145.02969	1.4
147.04510	0.4
150.03172	0.4
151.00374	0.6
157.02927	0.9
161.02463	0.7
162.06833	0.3
163.04077	0.4
165.01950	0.6
169.01396	1.1
173.02414	1.4
175.04056	0.6
177.01878	0.6
185.02423	2.7
192.84691	0.3
201.01949	1.7
216.83076	0.3
217.01349	0.6
221.41956	0.3
229.01427	3.4
229.51740	0.3
241.05031	0.4
245.00870	1.5
249.04100	0.3
257.01077	1.6
257.03922	0.3
274.01108	0.3
275.02029	0.3
280.05496	0.3
283.84988	0.3
283.99646	2.5
285.04102	1.3
289.07169	0.5
299.99188	2.7
300.99908	100.0
302.00256	10.5
302.03250	0.3
303.00543	1.5
321.96298	0.3
325.06793	0.3
381.02661	0.6
383.00729	3.5
537.20325	0.4
539.21741	1.6
646.58459	0.3
767.18555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
61.98561	0.6
61.98833	4.7
68.87031	0.6
69.03452	1.0
71.01389	8.7
72.99306	0.9
73.02939	1.7
78.95925	1.3
83.01413	1.2
83.05048	1.5
85.02953	3.5
87.00877	2.1
89.02465	3.6
94.98105	0.7
95.05055	1.1
96.96018	2.6
96.96958	0.8
97.02949	1.0
97.06577	1.7
98.19834	1.1
99.00838	0.8
101.02450	5.9
109.06590	1.2
113.02472	3.3
119.03526	1.3
122.77468	0.6
125.02462	1.5
125.09752	0.9
127.11245	1.1
131.03487	0.7
137.09811	1.0
153.05666	0.7
155.10802	1.1
161.04550	2.4
165.12936	0.7
171.10294	11.7
172.10683	1.1
179.10765	0.8
181.12383	0.8
183.13914	2.1
185.11775	1.4
193.12337	0.8
195.13930	7.3
196.14542	0.8
197.11993	0.9
201.11386	0.7
205.12192	1.0
205.15863	0.6
207.10278	2.5
209.11821	4.3
211.13426	14.0
212.13768	1.1
215.12950	1.0
221.11864	2.4
223.09930	0.7
223.13400	5.2
225.11334	1.7
229.14496	8.4
235.08267	8.3
239.12741	1.3
253.09312	31.4
254.09677	2.0
256.13242	1.3
267.80621	0.7
275.20169	4.9
291.19754	4.1
293.21259	100.0
294.21564	8.6
300.99747	1.4
309.20746	5.7
327.21783	62.9
328.22098	7.4
383.39008	0.6
496.86163	0.6
529.30322	2.1
545.29681	1.3
563.30542	3.7
564.31506	0.6
570.10693	0.6
603.42645	3.5
736.25153	0.8
746.57947	0.7
839.42603	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	839.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65617	33.7
80.96515	13.5
139.04005	13.9
152.99622	9.3
206.99136	5.5
357.28113	8.6
401.27039	100.0
402.27338	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	841.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
69.45438	0.7
71.01389	3.8
71.60337	1.0
78.96809	0.7
83.01379	0.7
85.02956	4.7
89.02440	4.3
95.01425	1.0
96.96015	0.8
101.02461	4.2
103.04021	10.4
104.04397	1.1
107.01397	2.9
109.02943	3.4
110.01958	0.6
111.00926	1.1
113.02485	2.2
119.03516	2.1
123.00887	3.3
124.01773	0.7
125.02467	17.1
127.00437	0.7
139.00360	1.7
140.01192	0.7
151.00371	2.2
168.00648	4.7
169.01440	24.4
170.88005	0.7
179.05539	0.9
192.83836	0.7
203.03378	0.6
211.02490	19.1
212.02856	1.2
241.03537	1.0
249.04012	1.1
265.09302	31.8
266.09683	1.9
271.04599	36.3
272.04889	2.2
275.01971	1.1
289.07208	0.9
300.99863	3.0
313.05597	5.2
331.06738	3.0
417.10406	100.0
418.10773	10.7
423.09375	26.7
424.09628	2.5
851.05432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.3
61.62477	3.4
61.98835	55.0
68.93272	3.0
70.02483	7.0
70.02882	6.9
71.01378	15.2
78.95921	3.6
79.95741	9.2
80.02708	2.9
80.96526	13.1
82.96107	3.7
83.05015	4.8
85.84854	3.0
94.84130	3.1
95.05025	3.9
96.96023	6.0
97.02959	3.1
97.06599	3.9
99.00885	3.9
101.02450	6.9
109.06619	4.3
115.06851	3.3
120.18208	2.7
120.71532	3.1
121.02978	3.2
125.02475	11.0
125.09739	3.4
165.12883	5.7
171.10243	10.2
178.31798	3.1
181.12300	6.5
185.11771	3.4
197.11813	8.3
199.13370	5.6
201.11263	4.2
207.10237	13.7
209.11845	100.0
210.12170	11.2
211.13501	6.2
225.11288	25.0
227.12836	24.4
235.08337	8.5
243.12402	4.4
245.19167	6.7
253.09358	19.3
263.20041	3.5
264.16824	3.0
289.18161	21.1
291.19586	5.0
307.19186	31.8
309.20773	19.0
461.20279	5.4
704.84021	4.1
751.30042	3.5
753.40820	5.1
761.00262	3.3
771.41901	8.3
831.94379	4.0
839.40582	19.0
840.41174	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	839.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
61.98838	4.9
71.01398	2.6
71.61386	0.5
73.98993	0.5
75.00855	0.6
83.01365	0.6
83.05064	0.7
85.02991	0.6
87.00892	0.7
89.02453	1.2
90.32758	0.5
93.03466	3.3
95.01393	0.6
96.96014	3.3
97.02945	0.9
101.02451	1.6
107.01402	1.2
107.05058	0.7
109.02972	3.3
113.02464	0.6
116.92873	1.8
121.02959	4.6
122.03764	10.1
123.00901	2.2
123.04545	1.3
124.01711	1.3
125.02453	4.9
132.02228	0.7
133.01279	0.5
133.02965	1.3
135.04558	1.2
136.01672	3.9
137.02457	16.4
139.00380	1.3
139.04047	2.1
145.02986	1.3
146.94324	0.6
148.31020	0.5
149.02458	16.2
150.03241	61.5
151.00372	7.0
151.04045	6.8
152.01132	1.1
152.04680	0.6
153.01930	1.0
154.49492	0.5
158.33331	0.5
161.02451	0.9
162.03296	0.5
163.04010	1.0
164.01175	1.4
164.04787	2.9
165.01941	69.6
165.05580	59.0
165.62173	0.5
166.02730	18.4
166.05919	3.0
167.03514	2.5
169.01485	2.8
171.10303	1.2
175.04033	1.8
176.04778	0.7
177.01965	1.6
177.05602	0.9
178.02766	0.6
179.03502	11.6
179.05830	0.6
179.07137	2.4
180.04297	40.7
181.05070	23.3
182.05388	0.9
184.03796	0.6
185.11841	0.8
187.04041	0.9
191.03583	0.7
192.04190	0.5
192.64789	0.6
194.05870	3.3
195.06638	100.0
196.06943	5.5
203.03468	0.7
205.05023	2.7
207.06639	1.3
209.08246	3.5
209.11865	4.0
210.05353	5.9
210.12202	1.7
211.02391	0.6
211.05882	0.7
211.13475	0.7
219.06544	1.1
220.07539	1.0
220.45078	0.5
222.27078	0.5
225.07697	44.2
226.08092	3.0
227.13016	0.8
275.01968	1.1
300.99951	5.1
302.00336	0.6
305.10641	0.6
343.12036	0.6
358.10461	0.8
359.11636	1.0
364.95694	0.5
372.12137	1.6
373.12869	5.7
387.10007	2.9
387.15027	6.6
397.13321	1.2
399.14551	0.8
402.13223	1.5
403.14139	2.8
415.14713	0.9
417.15497	23.0
418.15924	3.1
421.14941	2.9
518.59943	0.6
565.20917	5.7
566.21216	0.9
595.21936	7.9
596.22260	1.4
613.22290	1.3
625.22534	0.6
643.24146	1.5
644.24329	0.7
743.27734	1.2
759.37653	0.6
791.29443	1.0
792.29663	0.7
839.32013	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	839.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
70.31022	0.4
70.31416	0.3
79.51630	0.2
89.87357	0.2
96.96015	0.7
117.03522	0.2
125.02438	0.5
129.03474	0.5
145.02988	0.9
157.02919	0.7
161.02460	0.3
163.03979	0.4
173.02406	1.2
185.02441	1.9
189.01842	0.3
199.00349	0.2
201.01973	1.9
209.52586	0.2
211.02463	0.6
217.01385	0.5
226.20729	0.2
226.99896	0.6
229.01410	3.1
240.00470	0.3
245.00945	1.2
254.99274	0.3
257.00949	1.6
271.04568	0.9
273.00385	0.3
283.99573	2.5
299.99142	2.6
300.99893	100.0
302.00232	8.3
307.08545	0.3
331.06982	0.3
343.42331	0.2
353.39502	0.2
469.79694	0.2
537.19733	0.5
565.29578	0.2
815.95111	0.2
839.86865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.2
61.98843	13.1
69.47058	5.7
69.47488	4.3
70.00671	1.2
70.08493	1.0
71.01390	7.8
72.99338	1.5
73.02979	1.4
85.02984	2.2
89.02448	2.8
93.03460	2.8
94.97434	1.2
96.96019	11.0
97.02956	1.9
97.31741	1.1
101.02448	2.7
103.04022	1.3
109.02982	3.3
111.32897	1.1
112.25388	1.1
116.92879	5.1
119.05076	2.6
121.02953	5.5
122.03762	11.5
123.00905	3.4
123.04533	2.1
124.01651	2.3
125.02454	8.1
134.03763	1.9
135.04503	1.7
136.01654	6.5
137.02454	19.6
137.73000	1.3
139.04028	1.3
145.02946	2.3
149.02448	17.7
150.03241	72.2
151.00365	8.0
151.04031	10.8
160.01630	2.6
161.04568	2.0
161.09790	1.8
163.04005	4.5
164.01212	1.4
164.04793	2.6
165.01947	74.4
165.05588	71.4
166.02740	17.2
166.05933	3.7
167.03435	2.4
169.01428	6.7
171.10283	4.4
175.04004	3.1
177.02016	1.7
179.03513	11.5
179.07164	5.3
180.04303	47.2
181.05074	20.9
183.13943	1.4
191.03574	1.6
192.04457	1.4
194.05855	2.5
195.06642	100.0
196.06949	6.4
197.11847	2.7
201.11287	1.7
201.87811	1.4
203.03407	1.6
205.05130	2.7
209.08174	4.2
209.11855	9.5
210.05330	6.7
210.12187	4.2
211.13362	1.5
219.06540	1.3
222.45317	1.3
225.07709	45.9
225.11102	2.1
226.07967	2.7
227.12891	2.3
242.81055	1.6
300.99933	4.0
305.10593	2.7
324.99573	1.6
345.97980	1.3
373.08878	1.2
373.12808	7.5
387.14905	7.2
392.98563	1.5
397.13483	3.0
398.13699	2.0
403.13907	3.3
417.15533	19.1
418.15982	3.3
421.15152	1.8
565.20667	5.7
595.21930	11.3
596.21954	3.1
613.22632	1.7
643.23975	4.0
839.37482	4.7
840.37616	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	839.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.98830	7.4
64.76266	1.0
68.83658	0.9
69.41043	6.6
71.01378	3.9
73.02982	1.7
79.95735	1.4
83.05032	2.2
83.69288	0.8
85.02975	1.6
87.00896	1.0
89.02455	2.4
93.03476	3.6
95.01406	0.9
95.05013	1.3
96.96014	4.9
98.20588	1.6
101.02454	1.8
102.04466	1.0
107.22144	1.0
109.02958	3.8
110.03464	1.0
113.02477	1.4
116.92873	3.4
119.04970	1.0
121.02952	8.0
122.03760	14.2
123.00894	3.5
123.04568	1.4
125.02426	5.8
133.02917	1.6
134.03729	1.3
135.04520	1.3
136.01689	9.1
137.02454	29.2
138.03043	1.2
139.04033	1.1
145.02911	1.5
147.00908	1.3
149.02449	27.2
149.06030	2.1
150.03233	81.3
151.00380	8.5
151.04028	22.1
152.01094	1.4
152.04697	1.5
161.02438	2.4
161.06038	1.0
162.03172	1.4
163.04015	1.9
163.10954	1.1
164.01176	2.1
164.04750	5.3
165.01936	94.8
165.05569	70.9
165.12857	1.1
166.02718	17.7
166.05896	4.4
167.03386	2.6
169.01463	3.1
176.00987	1.0
177.01988	2.6
177.05627	2.6
179.03502	18.4
179.07121	11.7
180.04286	56.7
181.05066	30.7
182.05438	1.8
191.03477	1.3
191.05615	1.6
192.04231	2.1
193.04997	1.6
194.05890	5.2
195.02969	3.0
195.06627	100.0
196.07039	5.0
205.05064	3.2
207.06682	2.8
209.08281	6.0
209.11830	16.5
210.05377	8.5
210.12163	10.7
211.06163	1.5
211.12306	5.4
211.87799	1.0
212.12604	1.6
219.06754	1.3
220.07323	1.8
225.07692	43.3
226.07982	3.2
227.12953	2.0
228.13170	1.3
271.02548	1.2
283.99670	1.5
300.02823	2.7
300.99893	4.1
373.12909	5.1
387.10333	2.0
387.14661	4.5
397.13492	1.5
398.13666	1.3
399.14038	2.9
403.13840	2.7
416.14618	2.1
417.15576	18.9
418.15591	1.5
421.14868	1.5
564.20245	1.6
565.20801	16.2
566.21198	2.0
594.21112	2.9
595.21826	16.6
596.22491	1.9
613.22913	4.9
614.23645	1.6
643.23730	2.6
743.26801	8.5
744.27399	2.0
773.28497	1.5
791.29742	3.2
839.33502	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32441	1.7
69.32842	0.3
92.45753	0.2
125.02431	0.3
129.03442	0.5
129.18259	0.2
145.02959	0.8
157.02919	0.6
163.04013	0.3
163.75787	0.2
165.69400	0.2
173.02469	1.3
185.02472	2.2
189.01913	0.4
199.00423	0.2
200.01161	0.3
201.02003	1.6
217.01477	0.4
226.99873	0.5
228.00691	0.2
229.01431	3.2
245.00949	1.4
257.00885	1.8
273.00449	0.2
283.99643	2.5
299.99097	2.1
300.99893	100.0
302.00244	8.4
369.62769	0.2
537.19788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
60.08852	0.3
61.98831	1.9
63.83879	0.3
65.59143	0.3
66.34745	0.3
69.03459	0.8
69.41770	0.6
69.42183	2.3
71.01386	4.0
72.99293	0.4
73.02946	1.1
78.95907	0.6
80.96526	0.5
83.01382	0.5
83.05032	0.8
85.02955	1.4
87.00886	1.0
89.02445	3.7
94.98055	0.4
96.23517	0.3
96.95990	0.5
97.03001	0.4
97.06614	0.6
100.44260	0.4
101.02446	4.2
109.06563	0.7
111.08166	11.8
112.08519	0.4
113.02441	2.6
119.03531	0.7
125.02470	1.6
127.07655	1.3
128.42294	0.3
139.03996	0.7
143.03500	0.7
151.00522	0.3
151.11263	1.1
153.05579	0.6
153.09229	0.6
153.12865	1.4
161.04553	2.2
163.11243	0.4
165.12872	0.4
167.10820	0.4
169.12369	5.3
171.10254	0.5
179.05675	0.7
179.10786	0.4
181.12326	2.0
183.13916	1.3
193.12373	0.3
197.11835	56.2
198.12195	3.9
199.13377	3.8
201.11435	0.4
209.11894	1.0
211.13403	10.9
212.13718	0.7
224.26491	0.3
227.12904	1.5
235.08189	1.7
253.09290	24.7
254.09589	0.7
263.20178	4.7
265.18134	1.3
273.18683	0.9
277.21774	0.3
291.19675	18.6
292.19989	1.4
293.21375	0.7
301.00070	0.5
307.18961	0.5
309.20718	100.0
310.21078	9.9
401.23172	0.5
413.23520	3.1
424.61798	0.4
433.20856	0.7
527.28424	0.6
529.21338	0.3
545.29730	2.5
567.47180	0.4
601.40643	2.3
643.19781	0.3
837.46747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
61.98836	2.6
62.65371	0.3
69.03464	0.9
71.01392	3.9
71.40105	0.3
71.61199	0.4
73.02956	1.3
80.96518	0.5
83.01398	0.4
83.05019	0.7
85.02958	1.2
87.00894	0.7
89.02444	4.3
95.01380	0.3
96.96014	0.6
97.02966	0.5
97.06548	0.4
101.02445	4.0
104.08094	0.4
109.06602	0.8
111.08165	12.9
112.08493	0.5
113.02454	2.1
119.03525	1.2
125.02450	1.2
125.42404	0.4
127.07730	0.6
139.04031	0.5
141.09282	0.4
143.03508	0.6
145.05092	0.4
151.11282	0.8
153.09212	0.5
153.12837	1.3
161.04607	2.1
163.11232	0.4
165.12938	0.6
169.12355	5.4
171.10313	0.5
179.05635	0.6
179.10774	1.1
181.12338	1.4
183.13939	0.9
193.12436	0.7
197.11838	68.4
198.12170	4.1
199.13416	4.7
203.98329	0.4
211.13405	10.5
212.13763	0.8
227.12898	1.7
235.08290	2.3
247.20679	0.6
253.09305	22.7
254.09648	1.3
263.20157	4.6
265.18002	2.0
273.18604	1.8
291.19675	22.1
292.19962	2.1
309.20731	100.0
310.21045	9.1
345.20602	0.5
401.23419	0.8
433.20929	1.1
527.28668	0.8
545.29767	2.0
601.41089	1.7
837.46558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
61.98845	2.4
65.47849	0.3
69.03450	0.8
71.01394	4.9
72.99290	0.3
73.02939	1.0
74.89774	0.3
75.80795	0.3
78.95901	0.5
81.03503	0.4
83.01400	0.4
83.05033	0.7
85.02944	1.9
85.29617	0.3
87.00906	0.8
89.02449	4.9
95.01387	0.6
95.05021	0.6
96.97038	0.3
97.02917	0.4
97.06607	0.5
98.19827	0.6
99.00864	0.4
101.02448	4.8
109.06589	0.9
111.08168	13.8
112.08507	0.4
113.02455	2.8
119.03502	0.8
124.72186	0.4
125.02451	1.3
127.07652	1.1
134.07204	0.4
139.04012	0.4
143.03545	0.6
151.11311	0.7
153.05528	0.5
153.09239	0.3
153.12875	1.4
161.04590	2.0
165.12900	0.5
167.10783	0.4
169.12360	6.4
179.05649	0.9
179.10817	0.6
181.12346	1.4
183.13911	1.3
193.12299	0.5
197.11844	72.1
198.12202	4.3
199.13416	4.6
209.11894	0.6
211.13417	10.3
212.13701	0.4
227.12914	1.3
229.19395	0.4
235.08208	2.4
239.12683	0.4
247.20633	0.7
253.09303	23.8
254.09601	1.1
263.20166	3.7
265.18286	1.7
273.18579	1.2
291.19687	23.9
292.20053	2.1
295.46701	0.3
298.62753	0.4
309.20740	100.0
310.21075	10.8
346.46036	0.4
346.49860	0.4
401.23361	1.1
413.23163	0.4
417.09781	0.4
433.20825	1.2
527.28784	0.6
545.29547	2.5
546.29858	0.6
601.41553	2.2
602.41284	0.6
731.54858	0.4
837.44031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.99836	0.4
66.52798	0.4
71.01379	1.9
73.02953	0.6
85.02966	1.4
89.02420	0.6
95.01408	1.7
108.02180	31.8
109.02977	11.2
123.00886	2.7
123.04561	0.5
125.02430	2.1
133.03036	0.4
139.00423	0.5
151.00423	0.7
151.04015	2.6
152.01155	62.7
153.01628	2.9
163.03990	2.1
165.39885	0.4
169.01428	1.9
177.02008	0.4
211.02417	0.6
230.05917	0.4
241.07237	3.8
249.03825	0.4
265.09259	0.9
271.04672	1.2
272.20126	0.4
285.06088	0.9
288.06088	0.4
300.99969	2.1
337.01120	0.5
344.53180	0.5
403.75977	0.5
417.10385	100.0
418.10800	11.0
418.15671	0.3
419.11816	4.6
420.12201	0.6
442.73465	0.5
447.10870	0.6
449.35965	0.5
504.83200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.1
59.02522	1.7
61.98835	18.0
63.96224	2.5
65.53680	1.3
68.99824	2.0
69.03462	2.1
70.00592	1.1
71.01392	19.2
73.02952	4.0
78.95910	2.8
78.98598	10.7
79.95738	21.8
80.96520	100.0
83.01398	1.3
83.05016	2.9
85.02953	7.5
87.00885	5.3
87.04497	2.0
89.02453	5.5
94.98090	21.8
95.01374	1.6
96.96008	15.6
96.96973	2.1
97.02947	3.4
98.95613	3.3
99.00856	2.3
101.02464	9.8
103.04098	1.7
106.98112	5.0
109.02918	1.4
113.02465	4.5
116.92870	2.4
119.03487	2.5
119.05117	1.8
120.93301	1.2
122.03701	1.5
122.97591	6.2
123.00880	3.6
123.04505	1.7
125.02446	12.6
131.01044	1.3
131.03491	2.1
134.97578	7.0
137.02396	1.7
138.03191	2.9
139.04010	1.6
148.99181	8.9
149.02440	2.9
150.03227	8.5
151.03819	1.2
152.98660	10.5
153.05597	5.1
164.98642	16.3
165.01895	3.0
165.05612	7.3
168.04292	4.1
169.01422	4.0
169.12343	2.2
171.10268	2.6
176.01131	4.7
177.01923	3.3
179.05647	2.8
179.07130	2.8
180.04254	1.4
181.05241	1.5
183.13925	1.6
190.81158	1.3
191.03523	3.2
192.04248	3.8
193.01398	2.6
193.05069	2.6
195.06606	5.1
197.11806	10.0
201.11339	13.4
206.99677	4.5
207.06625	5.1
207.10133	1.6
208.03775	2.7
209.11838	34.4
210.12209	2.7
211.13419	20.3
223.06184	10.2
225.00760	28.8
227.12883	6.5
235.08247	1.8
271.04663	1.8
300.99866	2.5
361.11096	1.5
397.13593	17.3
415.14578	5.0
484.54568	1.7
509.17432	2.9
609.26697	2.6
617.82587	1.6
640.22614	1.5
780.95416	1.6
837.39697	97.8
838.40094	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	835.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43493	4.2
80.96527	6.3
86.34704	4.4
95.05045	5.8
98.19817	8.9
115.11070	4.4
125.02402	15.0
139.04033	10.1
153.05502	13.4
201.02652	4.2
209.45430	4.0
347.27975	4.6
399.20602	7.7
399.25446	100.0
400.25708	11.5
429.55841	4.4
473.28241	13.5
534.29468	4.5
817.44537	5.5
835.46454	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	836.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98833	100.0
62.98545	0.2
62.99262	0.1
69.36514	0.2
69.36926	0.4
71.01392	0.1
71.36346	0.1
85.24713	0.1
88.65143	0.1
88.99732	0.1
91.37600	0.1
100.05458	0.1
114.93456	0.1
125.02483	0.1
132.40767	0.1
158.05885	0.1
209.11928	0.2
210.12286	0.1
310.86392	0.1
313.55872	0.1
373.82901	0.1
425.76169	0.1
644.77734	0.1
836.38525	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	836.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98834	100.0
62.98544	0.2
63.99260	0.2
71.01405	0.7
73.02959	0.2
78.95910	0.5
79.95731	1.2
80.96526	1.0
81.95341	0.1
85.02947	0.1
89.02438	0.3
94.98093	0.3
96.96023	1.8
101.02456	0.3
113.02459	0.2
113.36086	0.1
121.02978	0.4
125.02495	0.2
164.98671	0.1
165.01996	0.4
171.10352	0.2
177.85396	0.1
183.13942	0.1
197.11856	0.2
201.11331	0.2
207.10345	0.3
209.11833	1.2
210.12254	0.3
211.13460	0.3
214.40402	0.1
225.00800	0.3
225.11365	0.2
275.02032	0.2
296.06866	0.1
301.00122	0.3
435.97427	0.1
466.02228	0.1
508.89651	0.2
540.52576	0.1
605.22961	0.2
836.38910	0.9
837.38416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98553	0.1
70.34886	0.3
70.35285	0.2
70.76481	0.1
94.98078	0.1
98.19984	0.1
147.66187	0.1
187.45441	0.1
281.84927	0.1
640.37939	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	835.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.6
59.01384	8.7
61.98827	0.2
63.77068	0.2
64.87832	0.2
69.03455	0.3
71.01386	9.0
71.05025	0.2
72.99313	0.4
73.02962	1.4
80.02673	1.4
81.03456	1.5
83.01392	0.9
83.05035	5.8
84.02149	1.1
84.05356	0.3
85.02955	1.8
87.00887	2.2
89.01910	0.4
89.02451	6.9
90.97324	0.2
93.03466	0.3
95.01379	0.5
95.05052	0.8
97.02958	1.2
97.06590	0.3
99.00893	0.5
101.02450	6.1
109.02946	0.2
109.06619	0.3
111.00877	0.3
111.04518	0.3
111.08247	0.2
113.02459	3.5
119.03510	2.1
121.02929	0.3
125.02448	2.9
125.06070	0.5
125.09733	0.3
131.03526	0.4
135.08163	0.7
143.03513	1.4
147.11861	0.2
149.04459	0.2
161.04549	1.8
163.11292	4.4
164.11652	0.3
165.12871	2.8
165.14162	0.4
166.13152	0.3
171.10281	0.8
179.05634	2.3
181.12354	0.7
191.10780	1.1
199.06071	0.3
199.13478	0.2
207.10136	0.2
209.11836	100.0
210.12164	6.9
217.07106	0.4
221.06667	0.9
221.11812	0.4
227.12892	14.9
228.13080	1.0
235.08234	2.3
239.12990	0.2
247.13451	0.6
247.23201	0.2
250.33914	0.2
251.12816	0.5
253.09285	0.5
257.64633	0.2
263.07678	0.3
287.07770	0.8
305.08835	0.8
319.54346	0.2
323.09830	0.6
346.88971	0.2
379.12402	2.8
380.12686	0.4
397.13513	19.1
398.14035	1.8
415.14597	5.6
416.14774	0.7
437.25143	0.2
607.26178	0.9
608.25787	0.3
689.34961	0.2
781.36713	0.2
799.38190	0.6
817.38269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.6
59.01384	8.7
59.37934	0.1
60.01714	0.1
61.98839	0.5
69.03452	0.7
70.24408	0.2
70.24797	0.3
71.01387	9.2
71.05016	0.2
72.01717	0.1
72.86095	0.1
72.99311	0.7
73.02956	1.3
75.00879	0.3
80.02682	1.3
81.03464	2.0
81.51099	0.1
83.01395	0.8
83.05031	6.1
84.02165	1.1
84.05360	0.1
85.02955	2.4
86.26871	0.1
87.00872	2.3
89.02451	7.9
91.04014	0.2
93.03465	0.3
95.01402	0.7
95.05037	0.9
96.96008	0.3
97.02956	1.1
97.06573	0.2
99.00925	0.5
99.01459	0.1
101.02452	6.6
102.02805	0.1
107.01469	0.1
107.05055	0.2
108.02142	0.1
109.02957	0.3
109.06589	0.4
111.00866	0.2
111.04571	0.3
111.08155	0.1
111.77377	0.1
113.02459	3.9
114.02793	0.1
115.03994	0.1
116.12334	0.1
116.92899	0.1
119.03507	2.1
121.02962	0.3
123.00826	0.1
123.04568	0.1
124.01717	0.1
125.02454	3.0
125.06079	0.5
125.09705	0.3
131.03520	0.4
133.05147	0.1
135.04517	0.1
135.08170	0.9
137.02454	0.1
139.03983	0.3
139.07628	0.1
140.50885	0.1
141.01936	0.2
143.03517	1.2
147.11833	0.3
149.04582	0.2
149.09731	0.2
153.12830	0.2
155.14424	0.1
161.04567	1.7
161.09698	0.2
163.11296	4.2
164.11609	0.3
165.01900	0.3
165.12852	2.7
166.13264	0.2
167.03497	0.3
168.09483	0.1
169.01448	0.2
171.10265	0.9
173.09718	0.1
175.02513	0.1
179.05620	2.1
181.12369	0.8
183.13911	0.1
185.11844	0.2
191.10803	1.2
199.06114	0.3
199.13412	0.8
207.10233	0.2
209.11838	100.0
210.12172	7.2
211.13405	0.2
217.07114	0.2
219.04948	0.1
221.01888	0.1
221.06615	0.7
221.11807	0.2
223.13405	0.1
225.11371	0.2
227.12895	15.9
228.13249	1.2
229.14491	0.2
233.11732	0.1
235.08243	2.2
245.06682	0.2
247.13376	0.6
251.12956	0.5
253.09288	0.4
263.07663	0.3
265.14502	0.3
287.07745	0.9
300.99866	0.2
305.08746	0.8
323.09845	0.4
379.12451	2.2
380.12564	0.2
397.13516	18.1
398.13831	1.8
401.23425	0.2
415.14578	5.4
416.14841	0.4
419.24258	0.3
437.25418	0.2
466.02280	0.1
589.25128	0.3
607.25891	0.9
608.26813	0.2
625.27161	0.3
627.25421	0.1
747.72736	0.1
773.36639	0.2
799.37305	0.7
800.38470	0.2
817.38739	0.3
835.39276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.4
59.01381	16.0
61.98832	100.0
62.98521	0.7
63.99257	0.8
68.99834	0.7
69.03455	1.6
69.31018	2.8
69.31444	3.7
71.01385	75.2
72.01746	1.0
72.99304	1.8
73.02945	4.1
73.50169	0.6
75.00859	0.9
78.95905	1.0
79.95751	1.4
80.96518	1.9
81.03473	1.6
83.01411	1.9
83.05053	2.7
85.02946	4.2
86.74028	0.8
87.00884	2.9
89.02449	12.8
94.98141	0.9
95.01398	1.6
95.05035	0.9
95.09989	0.6
97.02943	3.3
99.00907	1.4
101.02448	12.0
101.03083	1.0
102.02762	0.8
104.01525	0.6
109.06580	3.8
113.02454	6.4
116.92858	4.6
117.01936	1.1
119.03515	3.1
123.04575	1.0
125.02470	5.0
125.09715	1.2
127.11298	1.1
135.08185	1.0
139.03976	0.8
143.03484	1.7
153.05478	0.7
161.04581	2.9
163.11299	4.8
165.05466	0.8
165.12898	1.4
169.01350	0.7
169.12402	1.6
171.10255	10.7
172.51164	0.7
179.05676	3.6
181.12357	1.9
183.13881	4.1
185.11823	2.0
193.12299	1.0
197.11871	2.3
199.13438	8.8
201.11311	11.0
201.12990	1.2
205.12473	0.8
205.70198	0.6
207.10262	8.9
209.11838	38.1
210.12181	3.0
211.13396	27.5
212.13770	2.3
215.12808	1.4
221.06703	1.4
225.11327	13.1
226.11694	1.0
227.12881	20.7
228.13260	0.7
229.14616	0.9
235.08308	3.3
243.12408	1.7
247.13321	1.3
253.09389	1.0
253.14476	0.8
265.23694	0.8
301.00046	1.3
305.08737	0.8
323.10049	0.7
379.12411	2.1
397.13492	18.1
398.13922	1.5
401.23499	1.8
415.14612	5.5
419.24435	1.7
437.27097	0.7
518.85242	0.9
591.27081	0.8
605.24799	1.6
607.26288	2.0
623.25531	2.2
625.27667	1.4
781.37231	0.8
799.37726	3.4
800.37622	1.0
817.38507	6.1
818.38904	2.2
835.39709	7.3
836.39374	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	835.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.9
59.01095	0.6
59.01387	12.1
61.98842	3.4
69.03454	1.1
71.00991	0.7
71.01387	12.2
71.05022	0.4
72.99316	1.0
73.02940	2.0
75.00874	0.4
78.97982	0.3
80.02679	2.0
81.03445	1.9
83.00963	0.3
83.01388	1.6
83.05028	6.2
84.02178	1.0
85.02953	3.1
86.06030	0.3
87.00885	3.0
89.02451	9.2
90.02793	0.3
93.03477	0.7
95.01402	1.2
95.05029	1.3
96.96005	1.6
97.02960	2.2
97.06565	0.9
99.00900	0.7
101.02450	8.7
102.02747	0.5
109.02924	0.5
109.06594	1.4
109.51385	0.3
111.00842	0.4
111.04535	0.5
113.02461	4.9
119.03502	2.6
123.00869	0.7
123.04514	0.4
125.02455	4.3
125.06092	0.8
125.09742	0.5
127.11281	0.4
131.03516	0.4
135.08176	0.9
137.02437	0.6
139.00311	0.3
141.01973	0.4
142.07796	0.4
143.03555	1.7
151.00391	0.4
154.05809	0.4
161.02519	0.5
161.04547	2.1
163.11305	6.0
164.11656	0.7
165.05519	0.5
165.12886	3.0
166.13358	0.3
169.01428	0.6
171.10263	2.1
172.10533	0.4
175.02505	0.5
179.05615	3.0
181.12347	0.9
183.13919	0.9
185.11880	0.6
191.10741	1.2
197.11809	0.5
199.13411	4.6
201.11404	0.5
207.10258	2.7
208.10582	0.7
209.11844	100.0
210.12178	8.1
211.13400	5.0
217.07127	0.5
221.06671	0.5
221.11832	1.1
225.11371	1.7
226.11716	1.0
227.12918	22.3
228.13202	1.6
229.14430	2.9
235.08304	3.0
249.15057	0.4
249.25414	0.4
251.12921	0.4
253.09190	0.7
287.07745	0.7
291.19684	0.6
300.99872	0.7
305.08835	1.1
323.09778	0.8
327.21756	19.9
328.22119	1.0
358.35541	0.3
379.12448	2.7
385.72940	0.3
397.13501	21.5
398.13925	2.8
401.23087	0.5
415.14624	5.9
416.15228	0.5
419.24307	0.6
536.35095	0.4
589.25555	0.5
607.26111	1.9
625.27167	1.6
799.37030	1.9
800.38104	0.6
817.38666	2.5
818.39496	0.6
835.39423	3.6
836.40228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94078	0.8
68.48184	0.8
79.00426	0.7
95.51558	0.8
96.96003	2.7
98.20657	1.4
101.02383	1.0
113.45530	0.7
125.02444	2.7
134.57587	0.7
148.01584	0.8
149.02438	0.8
169.01390	2.0
172.01793	0.8
188.01222	1.0
200.01135	1.6
216.00616	1.4
229.01385	0.9
229.10609	0.8
241.30258	0.8
242.99399	1.1
244.00034	1.7
247.02147	0.8
249.04027	1.8
271.02402	0.8
275.02020	1.0
299.99115	98.9
300.99835	38.2
301.03354	1.7
302.00266	2.6
312.02487	0.8
316.02185	1.0
387.12851	1.0
447.05698	100.0
448.06036	11.3
449.07135	1.9
471.84088	0.7
504.10910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.4
59.01384	3.7
61.98835	100.0
62.98540	0.8
62.99270	0.2
63.99255	0.7
68.99829	0.2
69.03457	0.2
70.97062	0.2
71.01385	13.0
71.05006	0.2
72.01718	0.2
72.99319	0.4
73.02956	1.2
75.00870	0.2
76.40409	0.2
79.90232	0.2
79.95741	0.2
80.96543	0.7
81.03471	0.5
83.05038	0.9
84.02219	0.2
85.02963	1.0
87.00874	0.9
88.98846	0.3
89.02449	3.3
92.94614	0.2
93.03484	0.2
95.01424	0.4
95.05035	0.3
96.96006	0.8
97.02978	0.9
97.06584	0.2
98.19917	0.6
99.00903	0.4
99.04572	0.2
101.02448	2.9
109.06613	0.8
113.02453	1.3
116.92864	1.1
117.02018	0.2
119.03520	0.7
125.02410	1.2
125.06101	0.3
125.09775	0.3
127.11298	0.2
137.09801	0.2
141.02000	0.2
143.03537	0.5
151.11267	0.3
155.10735	0.2
161.04594	0.4
163.11272	1.1
165.05542	0.2
165.12889	0.3
171.10292	2.1
179.05695	0.6
181.12315	0.4
183.13969	0.7
185.11786	0.3
197.11829	1.5
199.13399	2.4
201.11351	2.2
207.10283	2.5
209.11842	8.7
210.12219	0.7
211.13408	6.4
211.15399	0.4
212.13768	0.5
215.13017	0.3
221.06775	0.3
223.13391	0.3
225.11310	3.1
226.11552	0.3
227.12907	5.5
228.13264	0.3
229.14523	0.3
235.08148	1.0
243.12299	0.5
251.13290	0.2
253.09450	0.3
253.14520	0.2
287.07455	0.2
305.08957	0.3
315.73831	0.2
379.12567	0.8
383.22137	0.3
397.13522	4.5
397.18423	0.4
398.13812	0.4
401.23410	0.4
415.14572	1.2
431.74106	0.2
605.24713	0.3
623.25696	0.6
625.27301	0.5
682.83826	0.2
799.37958	0.8
817.38977	1.5
818.39801	0.6
835.39374	1.9
836.40411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98837	100.0
62.98532	0.2
63.99264	0.4
69.03455	0.3
69.40984	1.0
71.01395	2.4
72.99331	0.2
73.02963	0.4
78.95921	0.4
79.95747	0.3
80.96540	0.5
81.03483	0.3
81.22658	0.1
83.01376	0.2
83.05031	0.4
84.02203	0.2
85.02985	0.4
85.56814	0.2
87.00883	0.4
88.98844	0.2
89.02451	0.8
92.65913	0.1
95.01424	0.2
96.96033	0.6
97.02972	0.4
101.02456	0.8
109.06628	0.3
113.02483	0.5
114.93433	0.2
116.92874	0.6
119.03516	0.2
125.02496	0.6
125.09730	0.2
163.11319	0.3
164.98616	0.2
165.12782	0.2
169.12347	0.2
171.10333	0.6
179.03366	0.1
179.05716	0.2
181.12383	0.2
197.11836	1.2
199.13428	0.2
201.11424	0.4
207.10252	0.9
208.10585	0.2
209.11838	4.9
210.12221	0.7
211.13358	1.0
223.13503	0.2
225.11392	0.9
225.15019	0.7
226.15269	0.3
227.12933	1.2
235.08249	0.2
253.09419	0.4
273.17120	0.9
301.00082	0.3
327.21951	0.3
339.70892	0.2
379.12579	0.2
397.13535	1.5
398.13947	0.3
415.14886	0.4
595.25665	0.2
623.25098	0.2
799.38342	0.2
817.38684	0.3
834.38678	0.5
835.38348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.2
60.31478	0.1
61.98835	100.0
62.98522	0.2
62.99251	0.1
63.99261	0.2
71.01392	0.5
71.60424	0.2
71.82024	0.1
78.91917	0.5
78.95483	0.1
78.95917	0.5
79.95729	0.6
80.91693	0.4
80.96515	0.9
85.02970	0.3
88.72536	0.1
94.98114	0.3
96.96021	0.3
101.02457	0.2
104.85496	0.1
121.71826	0.1
124.91631	0.1
125.02457	0.4
143.87231	0.1
164.98624	0.2
197.11902	0.2
207.10432	0.2
209.11780	0.7
211.13475	0.2
225.00781	0.3
227.12943	0.2
299.31894	0.1
341.62238	0.1
343.24997	0.1
389.88544	0.1
415.21722	0.2
417.22986	0.3
419.15778	0.1
529.38983	0.1
682.23627	0.1
697.89087	0.1
835.41040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98834	100.0
62.98548	0.1
62.99254	0.1
69.58319	0.6
69.58745	0.2
78.95915	0.3
80.96510	0.1
88.96587	0.1
89.02496	0.1
102.46680	0.1
209.11992	0.2
353.30045	0.1
432.97595	0.1
835.39441	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	834.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98547	0.1
69.54874	0.4
69.55295	0.4
71.01405	0.1
75.00854	0.1
78.95912	0.2
79.95739	0.2
80.96523	0.2
89.47126	0.1
97.41853	0.1
101.33866	0.1
137.61505	0.1
152.54944	0.1
197.11821	0.1
209.11768	0.2
211.13461	0.1
219.79665	0.1
247.82661	0.1
835.40112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
61.98835	100.0
62.98531	0.3
63.99260	0.2
69.54620	0.7
71.01380	0.5
78.95898	0.1
78.98662	0.1
79.95743	1.2
80.96519	1.6
94.98114	0.3
95.29166	0.1
96.96051	0.1
98.20686	0.2
101.02445	0.2
113.02477	0.1
125.02439	0.2
134.97630	0.1
135.84869	0.1
142.49825	0.1
152.98622	0.2
163.11357	0.1
164.98650	0.2
181.12228	0.2
207.10332	0.2
209.11859	0.5
211.13458	0.4
225.00839	0.4
225.11382	0.3
227.12924	0.2
243.09677	0.1
243.12314	0.1
374.06674	0.1
528.37677	0.1
749.31238	0.1
817.37921	0.3
835.38141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
60.99310	0.2
61.98837	100.0
62.98546	0.2
71.01395	0.2
72.99325	0.7
75.00896	0.2
78.95927	0.2
80.96545	0.2
85.02952	0.1
88.98816	0.5
92.92854	0.2
96.96028	0.2
99.67191	0.1
125.02483	0.2
197.11938	0.1
209.11917	0.3
225.11353	0.1
255.23273	0.2
271.56033	0.1
300.99890	0.2
309.20663	0.1
417.22992	0.2
832.51001	0.2
833.39941	0.4
845.58197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98832	100.0
62.98527	0.2
66.14883	0.1
69.03438	0.1
69.42663	0.9
71.01393	0.7
71.47363	0.1
76.18669	0.1
78.95921	0.2
79.95736	0.2
80.96513	0.2
81.03481	0.1
83.05031	0.2
85.02979	0.2
87.00848	0.2
88.98849	0.2
89.02451	0.5
96.96027	0.7
96.96964	0.2
101.02463	0.3
109.06595	0.3
109.92713	0.1
112.98803	0.1
113.02502	0.3
119.03565	0.3
125.02481	0.4
137.49619	0.1
163.11269	0.2
164.17442	0.1
165.05763	0.1
169.01515	0.2
171.10333	0.2
175.02452	0.2
190.46965	0.1
195.13908	0.2
195.26675	0.1
205.58453	0.1
207.10312	0.7
209.11829	2.3
210.12160	0.7
211.13470	0.2
223.13437	0.8
223.66025	0.1
224.13756	0.4
225.11380	0.5
227.12984	0.4
230.62280	0.1
235.08267	0.1
301.00043	0.2
327.21744	0.1
391.03076	0.1
397.13565	0.6
398.14001	0.2
415.14548	0.2
735.29901	0.1
815.37805	0.1
833.37286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	1.2
59.01096	1.6
59.01385	30.8
61.98820	2.1
65.03957	1.0
69.03452	3.3
69.35533	7.9
71.01387	22.7
72.99306	2.3
73.02943	4.0
80.02680	4.1
81.03460	5.2
83.01382	1.7
83.05032	11.2
84.02177	1.3
85.02956	4.8
87.00890	6.3
89.01912	1.5
89.02447	20.9
93.03440	2.1
95.01392	1.9
95.05034	2.5
97.02966	9.9
98.03217	1.1
99.00858	2.7
101.02450	16.7
109.02943	1.2
109.06599	29.3
110.03741	2.3
111.04537	1.4
113.02457	8.7
119.03457	4.7
121.06598	2.5
124.00170	0.9
125.02451	7.1
125.06104	1.0
125.09676	3.5
126.90392	3.0
135.08151	3.0
136.05298	2.0
141.01949	2.1
142.02702	2.7
143.03516	2.4
161.04504	2.7
161.09749	2.3
163.10017	1.7
163.11290	21.4
164.11632	1.7
165.09113	1.1
165.12846	4.3
171.10187	2.6
179.05563	4.9
181.12402	5.6
185.11803	1.2
189.09166	1.3
190.09753	1.0
191.10739	1.3
203.14369	0.9
207.10286	71.3
208.10620	7.6
209.11845	100.0
210.12210	5.0
221.06622	3.6
225.09187	2.1
225.11340	39.8
226.11591	3.2
227.12888	12.4
228.13200	1.3
235.08264	4.0
237.40553	1.1
243.12357	1.6
247.13518	1.5
249.11177	1.7
263.07693	1.2
263.12833	2.2
305.08759	1.7
357.48520	1.3
379.12497	2.6
384.00577	1.1
397.08328	1.3
397.13516	27.0
398.13794	2.6
399.21756	3.6
415.14557	10.8
417.22879	7.5
435.23907	1.8
605.24176	4.2
607.26575	1.6
615.99561	1.1
623.25671	8.0
624.25873	1.5
635.30847	1.3
797.35870	11.1
798.36426	4.2
815.37183	17.4
816.36987	5.8
833.38177	30.6
834.38409	9.8
865.17505	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	831.403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.0
59.01386	17.7
61.98839	16.3
68.99821	0.5
69.03460	2.5
71.01390	15.0
71.05038	0.7
72.99322	1.3
73.02957	2.0
78.95956	0.3
80.02701	1.4
81.03455	1.9
83.01389	1.7
83.05033	5.5
84.02184	1.2
85.02961	3.0
87.00880	3.7
87.01370	0.4
89.02456	12.8
93.03490	0.5
95.01414	1.0
95.05038	1.4
97.02972	1.8
98.20627	0.8
99.00902	1.0
101.02458	11.1
109.02978	0.3
109.06598	0.5
111.00904	0.7
111.04511	0.4
113.02458	6.1
119.03516	3.7
124.01640	0.4
124.23711	0.3
125.02466	4.9
125.06113	0.7
125.09694	0.6
127.04021	0.4
131.03552	0.6
133.05093	0.6
133.86775	0.3
135.08167	0.8
139.03951	0.4
143.03506	2.1
149.04549	0.3
149.09732	0.4
161.04590	2.6
163.11314	4.4
165.12872	2.4
167.10773	1.7
167.59486	0.3
169.01459	0.3
171.10229	0.8
175.02419	0.5
177.12877	0.4
179.05658	3.5
179.10770	0.7
179.14436	1.4
181.12367	1.3
191.10822	1.0
195.13927	5.2
195.15691	0.3
196.14246	0.6
205.12357	4.7
206.12729	0.3
209.11845	100.0
210.12181	8.0
211.13463	0.5
221.06683	1.5
223.13412	55.5
224.13736	4.4
227.12903	14.2
228.13171	1.1
235.08266	4.2
251.12794	0.6
253.09242	0.9
261.14923	0.5
263.07825	0.4
287.07755	1.0
305.08640	1.6
323.09833	1.0
379.12445	3.9
397.13531	32.3
398.13910	3.1
415.14618	8.3
415.24881	0.3
416.14880	0.8
589.25269	0.8
603.26514	2.1
607.26086	1.5
608.26434	0.4
621.27557	2.6
622.27643	0.5
795.37823	0.8
813.38391	0.4
831.37964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.8
61.98832	100.0
62.67092	2.1
64.79111	1.8
69.03464	2.8
69.53572	3.6
69.53969	9.7
71.01392	20.9
73.02948	3.5
78.95913	4.2
80.96539	2.4
81.03459	2.8
83.01406	2.2
83.05014	4.3
85.02951	7.5
87.00885	8.3
88.98814	2.2
89.02446	9.9
96.96004	6.8
97.02948	5.4
98.20593	4.0
99.00837	2.7
101.02460	12.8
109.06621	16.7
113.02441	7.0
115.00364	4.7
119.03529	3.7
123.04534	3.1
125.02445	6.2
125.06078	2.0
135.08157	2.1
141.01785	2.6
149.02431	2.0
161.04584	3.4
161.09598	1.8
163.11264	8.9
165.12813	3.1
171.10262	8.3
175.02467	8.2
179.05562	2.5
181.12314	3.4
185.11845	2.1
195.13858	2.6
197.11829	6.0
199.13368	3.5
207.10292	24.5
208.10587	4.7
209.11850	69.7
210.12103	5.0
211.13429	13.4
211.15111	2.0
223.13426	20.6
225.11385	10.6
227.12877	12.8
229.14445	2.8
235.08246	4.4
253.09221	13.1
300.99890	4.8
309.20801	4.8
311.49863	2.2
325.20218	14.7
327.21725	19.3
397.13535	10.1
398.14230	2.5
415.14487	4.6
563.30963	2.5
723.04596	2.3
743.41113	3.0
771.42035	10.1
772.42621	2.7
813.37158	3.9
831.38330	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	831.503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98821	2.9
66.22247	1.0
71.01385	2.5
71.59371	1.9
78.95910	85.3
78.98597	1.7
79.95747	10.0
80.96521	25.1
85.02953	2.4
87.00864	1.0
88.97346	0.9
92.92844	1.3
94.98077	5.7
96.96974	17.7
116.92839	1.3
122.97575	2.3
125.02422	2.2
125.30526	0.9
134.97610	1.3
134.98540	1.0
148.99165	1.7
152.99617	21.9
164.98613	3.3
223.00150	8.0
225.00627	4.6
241.01193	32.5
255.23302	57.1
256.23596	3.8
259.02234	3.0
277.21722	33.5
278.22025	3.7
297.03723	1.9
312.91724	1.0
315.04910	1.1
391.22580	6.2
413.21347	1.8
553.27930	6.6
554.28308	1.4
575.26068	1.7
786.32153	1.1
831.50128	100.0
832.50610	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	829.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00552	1.1
59.01365	4.3
61.98832	6.6
67.01887	2.3
68.99816	1.3
69.03443	3.3
70.18171	4.2
71.01398	5.7
72.99312	2.5
78.95889	1.3
79.01869	2.0
81.03463	1.2
83.01391	3.5
85.02955	2.1
88.98811	6.9
89.02435	2.3
95.01414	6.3
96.96004	5.9
97.02959	4.7
98.20538	1.2
99.00864	1.0
101.02431	4.4
103.70541	0.9
107.01406	12.0
109.02968	1.8
111.00868	3.2
113.02460	3.0
116.92770	1.4
119.03481	1.0
119.05038	1.2
121.02953	2.5
123.00888	15.6
124.01656	2.2
125.02454	100.0
126.02755	4.5
127.00356	1.7
136.98820	2.9
139.00385	5.2
140.01164	5.6
145.02942	2.1
149.02428	1.0
151.00421	4.7
151.01447	1.0
151.03963	1.2
153.01927	1.6
154.99876	1.2
163.03912	1.2
166.99828	2.0
168.00629	8.3
169.01431	89.6
170.01718	3.8
175.02495	1.3
176.03479	2.4
179.03424	1.0
191.03436	1.4
193.04950	1.2
209.11838	4.7
211.02441	4.4
211.13420	1.2
232.68558	0.9
246.54228	1.2
249.03989	1.2
271.04556	2.4
275.01746	1.1
300.99799	2.0
313.05600	2.0
335.68924	1.2
348.30023	1.1
373.18549	4.1
434.25754	1.0
463.19516	1.2
481.20605	2.9
489.17694	1.1
507.18494	2.1
525.19739	4.5
659.20105	5.6
677.20825	19.5
678.21100	3.2
829.21875	49.1
829.36163	2.1
830.22540	16.0
830.37103	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	831.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.0
59.01382	21.4
60.01697	0.3
61.85108	0.3
61.98830	5.4
69.03446	3.0
69.05515	0.4
71.01385	17.7
71.05040	0.9
72.01728	0.6
72.99319	1.5
73.02944	2.4
74.30309	0.3
75.00878	0.5
80.02695	1.2
80.96529	0.3
81.03461	2.1
83.01381	2.1
83.05037	5.8
84.02184	1.0
85.02951	3.5
85.06608	0.4
86.26045	0.3
87.00879	3.8
89.02451	17.0
93.03481	0.6
95.01411	1.3
95.05048	0.8
96.96022	0.9
97.02950	3.1
97.06606	0.4
98.20606	0.9
99.00873	0.7
101.02448	13.8
106.81604	0.3
109.02956	0.5
109.06607	0.6
111.04503	0.5
111.08232	0.4
113.02457	6.8
113.06252	0.3
115.00354	0.3
115.04014	0.4
118.92632	0.3
119.03507	4.6
120.56538	0.3
121.03019	0.3
123.04594	0.3
125.02444	5.6
125.06097	0.5
125.09710	0.5
131.03522	0.9
137.02502	0.6
139.03995	0.6
141.01923	0.7
143.03497	3.2
149.04579	0.4
149.09679	0.6
161.04552	3.5
163.11296	5.4
165.12796	2.1
167.10745	3.0
171.10223	0.7
177.12881	0.4
179.05618	4.2
179.10808	0.7
179.14449	2.9
181.12396	0.6
184.03871	0.3
185.04556	0.4
191.10757	1.2
195.13922	8.4
196.14212	0.6
199.06131	0.6
205.12346	7.8
206.12622	0.4
209.11832	100.0
210.12172	6.6
211.13551	0.4
217.07239	0.6
221.06578	1.6
223.13394	74.3
224.13728	5.6
225.11253	0.4
227.12877	16.2
227.51276	0.3
228.13240	1.3
235.08197	5.2
251.12630	0.3
253.09322	0.6
261.14932	0.7
263.07663	0.4
264.26184	0.3
265.14551	0.4
287.07642	1.2
305.08707	1.7
323.09775	1.3
379.12451	5.2
380.12799	0.5
397.13507	37.9
398.13815	2.7
415.14554	9.6
416.14975	0.6
427.19598	0.4
540.55042	0.3
589.24426	0.9
603.26563	3.0
604.26917	0.5
607.26086	1.1
621.27563	6.6
622.27759	1.4
795.37744	1.0
813.38214	0.8
814.38458	0.5
831.39398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00552	1.1
59.01365	4.3
61.98832	6.6
67.01887	2.3
68.99816	1.3
69.03443	3.3
70.18171	4.2
71.01398	5.7
72.99312	2.5
78.95889	1.3
79.01869	2.0
81.03463	1.2
83.01391	3.5
85.02955	2.1
88.98811	6.9
89.02435	2.3
95.01414	6.3
96.96004	5.9
97.02959	4.7
98.20538	1.2
99.00864	1.0
101.02431	4.4
103.70541	0.9
107.01406	12.0
109.02968	1.8
111.00868	3.2
113.02460	3.0
116.92770	1.4
119.03481	1.0
119.05038	1.2
121.02953	2.5
123.00888	15.6
124.01656	2.2
125.02454	100.0
126.02755	4.5
127.00356	1.7
136.98820	2.9
139.00385	5.2
140.01164	5.6
145.02942	2.1
149.02428	1.0
151.00421	4.7
151.01447	1.0
151.03963	1.2
153.01927	1.6
154.99876	1.2
163.03912	1.2
166.99828	2.0
168.00629	8.3
169.01431	89.6
170.01718	3.8
175.02495	1.3
176.03479	2.4
179.03424	1.0
191.03436	1.4
193.04950	1.2
209.11838	4.7
211.02441	4.4
211.13420	1.2
232.68558	0.9
246.54228	1.2
249.03989	1.2
271.04556	2.4
275.01746	1.1
300.99799	2.0
313.05600	2.0
335.68924	1.2
348.30023	1.1
373.18549	4.1
434.25754	1.0
463.19516	1.2
481.20605	2.9
489.17694	1.1
507.18494	2.1
525.19739	4.5
659.20105	5.6
677.20825	19.5
678.21100	3.2
829.21875	49.1
829.36163	2.1
830.22540	16.0
830.37103	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	827.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.0
69.44176	9.5
73.45028	0.9
78.40504	1.0
78.48754	1.0
78.95921	2.6
80.96512	3.4
83.01406	1.3
85.02956	1.1
85.06599	2.3
91.90585	1.1
95.05035	2.3
97.06594	3.0
108.02126	1.8
111.08138	1.1
113.06097	6.9
125.02499	1.5
125.06087	1.3
132.34352	1.1
137.02473	1.4
139.07593	1.4
141.05586	14.0
157.48753	1.1
165.05519	1.2
166.06371	3.9
174.97221	1.2
181.05034	3.3
225.00702	1.2
255.23355	1.2
277.21671	1.6
281.01270	1.1
282.31650	1.1
287.16461	1.2
301.21689	2.2
308.30399	1.2
357.28183	2.0
373.23822	1.4
383.26245	5.5
384.26437	3.0
385.23877	3.0
397.27554	3.8
399.29010	6.3
401.27170	2.4
443.28091	100.0
444.28360	16.9
697.12048	1.1
781.41577	1.3
827.43982	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	827.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
59.36758	0.4
60.34424	0.5
61.98846	1.3
62.59911	0.5
69.43312	4.1
71.01406	1.0
73.37674	0.5
74.57110	0.5
74.99122	1.9
83.01387	0.8
90.35594	0.5
93.03457	3.6
96.96016	27.5
97.02946	0.6
101.02425	0.6
102.94904	0.5
105.03466	0.5
107.05106	0.6
109.02982	1.4
116.92873	2.2
117.01982	0.6
119.05030	0.9
121.02959	6.2
122.03751	16.7
123.00867	1.1
123.04601	0.9
124.01662	1.6
125.02455	2.0
133.02968	1.5
135.04532	1.2
136.01689	2.3
136.99109	1.1
137.02486	2.7
138.03232	0.6
139.04030	2.6
145.03030	0.6
149.02449	23.2
150.03233	100.0
151.00386	6.0
151.03812	4.9
152.01109	0.6
153.02043	0.7
160.58354	0.5
161.02469	1.2
162.03207	0.8
163.04012	1.1
164.04785	3.9
165.05573	88.8
166.02724	12.4
166.05901	4.4
167.03323	1.0
168.04338	0.9
169.01456	1.1
175.04007	3.1
177.01892	0.7
177.05467	1.0
179.03500	1.4
179.07146	1.3
180.04289	5.3
181.05084	21.4
182.05362	1.4
182.48105	0.5
187.03990	1.7
188.04692	0.8
190.06339	1.5
191.03510	1.4
193.05101	0.8
194.05786	0.7
195.06625	53.3
196.06935	2.6
202.02432	0.6
205.05043	2.5
205.08704	1.3
206.05688	1.4
207.06538	0.5
208.07327	0.7
209.08344	0.6
219.06703	0.8
220.07365	1.8
221.08072	1.1
223.09727	1.2
225.07712	0.9
249.04079	0.9
275.02139	0.7
282.05270	0.9
291.09109	14.9
292.09332	1.6
297.03912	0.8
300.99802	1.6
311.09296	0.6
312.06256	0.6
313.10547	0.7
325.06937	0.6
329.10233	0.9
339.08685	0.7
342.10971	0.7
357.13367	1.5
372.12155	1.4
373.12595	1.0
375.14258	1.4
387.14590	7.3
388.14868	1.1
405.15329	1.8
417.15479	10.2
418.15778	0.9
535.19745	0.8
553.20453	1.2
565.20795	8.6
566.20703	1.6
583.21497	0.9
595.21606	1.6
613.23071	7.5
614.22742	1.8
630.21997	1.0
712.14600	0.5
731.27350	0.7
779.28510	1.5
780.29248	0.7
827.31262	4.0
828.30920	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	827.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.7
59.01386	15.2
59.02313	0.3
61.98836	2.8
69.03432	3.5
70.04227	0.6
70.04639	0.7
71.01389	12.0
71.05017	1.1
72.01738	0.3
72.99306	1.1
73.02959	2.2
75.00884	0.4
81.03463	0.6
83.01402	1.5
83.05033	0.5
85.02959	2.8
85.06588	0.6
87.00880	3.0
89.02455	11.5
93.03439	0.3
95.01425	1.4
95.05048	0.5
97.02950	1.7
99.00881	0.7
101.02456	10.6
105.74039	0.3
109.02972	0.4
109.06582	0.8
111.04519	0.4
111.08146	0.4
113.02461	5.7
114.02808	0.3
119.03509	3.2
125.02454	4.1
125.09694	0.4
131.03448	0.4
133.05147	0.3
139.03990	0.4
141.01965	0.3
143.03499	1.9
149.04616	0.4
149.09724	0.7
151.86977	0.3
153.09204	0.3
161.04559	2.5
167.10814	3.4
168.11201	0.3
171.10193	0.2
177.12859	0.8
179.05626	4.6
179.10797	1.3
179.14418	3.6
195.13918	10.8
196.14232	0.5
197.11862	0.4
199.06137	0.3
205.12343	9.7
206.12625	0.7
209.11803	0.8
221.06630	1.3
223.13403	100.0
224.13737	7.4
235.08235	2.9
253.09320	0.8
265.14462	0.5
282.90927	0.3
287.07761	0.9
305.08789	0.8
323.09836	0.7
379.12463	2.9
393.24091	0.3
397.13522	24.8
398.13840	2.7
403.24847	0.3
411.25543	0.5
415.09555	0.5
415.14600	5.1
415.19757	0.5
416.14905	0.7
429.26520	1.9
441.21140	0.4
603.26605	6.6
604.27020	1.1
621.27661	10.6
622.28101	2.2
648.54810	0.3
656.99554	0.3
783.39008	0.6
809.39648	2.2
810.40771	0.5
827.40918	2.0
828.41473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98830	2.2
69.03474	0.5
71.05024	4.4
71.60334	1.0
75.00884	0.6
81.03471	1.8
83.05035	4.1
84.44102	0.6
85.02953	2.6
85.06622	0.7
88.98800	0.5
97.02952	0.5
97.06618	1.0
99.04521	8.4
107.04998	0.8
109.02951	3.7
111.04546	1.3
113.02464	1.6
123.04536	1.7
124.05376	0.6
125.02435	1.9
125.06095	1.4
127.04023	16.4
127.04971	0.9
128.04370	1.0
137.02438	1.0
148.34702	0.5
148.35921	0.5
151.04018	3.7
152.04788	2.4
153.05576	0.8
165.05579	0.8
167.03474	3.9
169.05067	1.7
177.09276	0.7
178.06282	0.6
231.17499	0.7
273.18716	3.1
285.18509	0.7
303.19507	0.9
315.23340	1.2
341.21243	6.8
342.21802	2.8
343.19092	1.2
345.20624	3.3
355.22763	1.9
357.20511	1.4
357.24432	3.1
359.22217	3.9
383.22229	3.0
401.23343	100.0
402.23727	15.3
404.02914	0.6
423.27570	5.7
825.44427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
60.99311	4.1
61.98838	6.4
69.37183	5.9
69.71702	0.6
71.01390	10.5
72.99312	0.7
73.02935	1.5
81.03473	1.3
83.05037	2.8
85.02960	2.3
87.00899	1.8
88.98818	18.8
89.02467	3.1
95.05042	1.2
95.93281	0.7
96.96028	1.5
97.02965	2.3
98.19853	1.5
98.48582	0.6
101.02444	3.8
109.06620	3.9
113.02478	2.1
116.92873	5.6
117.01974	1.1
119.03513	0.8
125.02438	2.1
135.08176	1.5
139.00378	0.7
143.03470	0.8
149.04613	0.7
153.01839	0.7
155.10782	0.6
161.04613	1.2
163.11336	4.2
165.12807	1.9
169.01419	1.4
171.10303	10.6
172.10555	0.8
178.82300	0.6
179.05562	1.0
181.12300	1.3
185.11871	1.7
191.10869	0.9
201.11392	1.9
207.10278	12.7
209.11842	100.0
210.12170	7.7
211.13365	3.6
221.11880	0.8
225.11322	8.9
226.11568	0.9
227.12912	23.8
228.13228	1.8
229.14474	2.2
235.08192	4.3
253.09285	18.9
291.19821	0.8
307.19409	3.6
309.20627	1.8
325.20233	2.0
327.21756	29.6
328.22110	4.0
391.19492	0.8
445.21042	1.0
461.20316	2.2
473.64456	0.7
493.12823	0.8
563.30933	1.2
589.32391	0.8
771.41895	4.6
772.42682	1.8
781.40717	0.9
825.40436	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	823.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.5
63.96226	2.8
71.01380	11.1
71.61167	3.3
78.35318	2.4
78.95931	5.3
78.98614	8.1
79.95744	16.1
80.96524	100.0
81.03468	3.4
85.02952	2.6
87.00895	4.6
94.98106	23.3
96.96001	3.5
101.02464	3.9
106.98093	5.3
125.02446	6.7
134.97618	6.2
139.71039	2.5
143.36499	2.4
148.99135	7.8
152.98611	6.1
159.59425	2.6
162.72687	2.5
164.98651	14.5
189.51810	2.4
206.99644	3.4
225.00792	26.1
418.20078	3.0
577.56311	2.7
586.52441	2.8
592.94952	2.8
731.73956	3.0
823.45380	90.6
824.46039	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.2
59.29893	1.2
61.98840	5.4
61.99134	1.3
69.03450	1.8
71.01380	15.4
72.99302	1.3
73.02958	2.4
74.11914	1.0
76.35242	1.2
80.11533	1.3
80.96500	1.4
83.01414	1.5
85.02953	5.1
87.00874	3.7
89.02448	11.3
95.01432	1.6
95.04984	2.0
95.83245	1.1
97.02927	3.1
97.06594	12.7
98.20625	2.8
99.00894	1.3
101.02454	11.1
113.02450	5.8
119.03458	2.8
123.08187	6.0
125.02455	5.7
125.09728	57.2
125.81234	1.2
126.10050	2.3
137.12022	1.1
153.05559	1.4
153.12837	1.1
161.04500	1.5
171.10304	6.3
187.09773	35.4
188.10028	1.6
209.11740	1.6
211.13387	5.2
229.14604	5.5
235.08260	3.7
253.09320	10.2
255.23309	36.9
256.23773	2.7
269.02570	1.3
277.21722	18.8
278.22040	1.8
291.19748	3.2
293.21283	5.6
309.20703	8.2
311.22318	3.0
327.21790	24.6
328.22040	2.5
371.18814	1.6
397.13397	4.0
419.20114	1.3
563.30927	1.9
567.23297	1.5
585.24316	1.3
587.43323	1.3
647.80591	1.3
823.46960	100.0
824.47205	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.5
71.61671	0.7
79.95709	0.7
87.00917	0.4
96.96013	1.7
111.14288	0.5
123.00954	0.5
125.02452	1.6
133.02972	0.5
145.03012	1.1
150.03178	0.4
154.23587	0.4
157.02911	0.7
161.02425	0.5
162.89728	0.5
164.53577	0.4
169.01433	1.4
173.02419	1.1
185.02463	2.5
201.01866	1.8
229.01485	3.4
245.00877	1.0
257.00864	1.6
273.00388	0.6
275.02029	0.9
283.99637	2.5
289.07443	1.0
299.99118	3.0
300.99899	100.0
302.00247	9.2
303.00482	1.2
336.62976	0.5
448.44449	0.5
476.09912	0.5
523.21515	0.7
825.29547	0.5
829.64880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.6
61.98836	5.1
67.01890	1.0
68.99812	0.8
69.30532	5.8
69.30947	1.9
71.01402	2.0
73.02975	1.0
73.74065	0.7
83.01404	0.8
89.02460	1.0
90.39809	0.7
93.03487	5.0
95.01411	2.1
96.96044	3.4
98.19910	1.3
103.65422	0.8
105.03488	0.8
107.01408	0.7
107.05038	1.1
108.02197	0.9
109.02982	1.6
111.00880	1.5
115.00340	0.8
116.92859	5.7
117.01920	0.8
119.05058	0.9
121.02962	5.5
121.06613	0.9
122.03772	16.2
123.00916	4.4
124.01680	1.7
125.02464	6.3
133.02968	2.2
135.04544	2.6
136.01669	2.8
136.98921	1.0
137.02475	2.9
138.03235	2.0
139.00383	4.3
139.03987	1.7
140.01147	1.0
145.02916	1.0
147.04538	2.2
148.60777	0.7
149.02460	21.7
150.03241	97.5
151.00391	10.3
151.03889	5.9
153.01956	2.7
153.05573	1.7
159.04507	1.8
161.02367	1.5
162.03241	1.8
163.03992	2.8
164.04840	4.2
165.01923	2.4
165.05583	84.6
166.02740	16.7
166.05893	3.8
166.99878	0.9
167.03471	1.0
169.01437	5.2
173.02464	0.8
174.28511	0.7
175.04045	2.2
176.01129	0.9
177.01939	2.5
177.05571	3.3
178.02657	1.2
179.03441	1.2
180.04320	7.6
181.05089	23.9
182.05426	1.5
189.01959	0.8
189.05571	1.1
191.03516	7.9
192.04141	2.0
193.01396	0.9
193.05049	2.8
195.06638	29.7
196.06931	2.2
201.11360	2.5
203.03516	6.4
204.04111	1.7
205.05074	1.9
207.06685	1.7
209.11908	1.5
217.05264	0.8
218.05907	5.7
219.03017	0.8
219.06522	1.8
221.04619	2.6
233.08228	4.9
235.06145	1.1
236.06917	9.4
241.63882	0.9
251.09254	21.3
252.09621	1.5
275.02060	1.0
289.07156	1.1
300.99841	6.2
328.09860	0.9
339.08597	1.1
343.08212	0.9
357.09656	1.7
358.10693	3.7
359.11285	1.0
372.12225	1.3
373.12943	9.8
385.13049	1.5
399.14532	1.8
403.14059	2.8
417.11871	1.3
418.12616	1.7
419.12970	1.0
431.13324	2.2
432.14380	2.3
433.15082	11.1
434.15253	1.2
581.20203	4.3
611.21411	1.9
629.22430	100.0
630.22748	20.7
673.22107	1.3
673.35065	1.5
825.34369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82980	2.5
59.01385	7.3
61.98834	40.6
71.01388	9.2
71.60786	3.8
72.99338	3.1
73.02948	5.8
78.95888	3.6
80.96498	5.9
83.05017	3.9
84.02146	3.2
87.00877	5.9
88.98814	8.0
89.02477	5.5
96.86733	2.4
96.96010	6.0
98.95564	2.3
99.92595	6.2
101.02429	7.7
109.06594	4.5
113.02455	3.7
116.92876	30.2
117.01884	6.0
121.02978	15.5
125.02442	8.6
135.08195	3.3
163.11261	4.1
165.01926	11.5
169.01431	6.3
169.12468	3.1
171.10298	13.2
174.27194	2.6
185.11908	3.2
193.12311	3.6
207.10233	13.9
209.11833	100.0
210.12149	9.7
211.13435	3.6
223.10059	2.8
225.11339	11.8
225.14998	3.1
227.12929	26.0
235.08257	11.5
253.09300	20.1
275.02081	2.7
289.18192	2.5
301.90494	2.8
307.19147	3.8
323.18631	3.6
327.21631	6.3
341.23364	56.6
342.23730	6.2
407.30466	2.8
445.20724	6.2
461.20535	3.1
516.65247	3.2
577.32440	3.3
823.41772	35.4
824.42792	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	823.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.2
61.55058	4.0
61.98834	100.0
69.74240	3.9
69.79272	12.0
69.79672	6.0
71.01390	25.9
78.95915	8.7
79.95745	7.4
80.96519	34.1
94.17299	3.8
101.02455	7.8
109.06583	5.7
113.02457	6.1
116.92844	6.0
125.02421	9.4
125.09701	5.3
132.22725	5.0
142.42528	4.0
144.84749	4.7
163.11342	6.1
164.98622	5.0
171.10237	10.7
197.11806	13.8
199.09781	8.2
207.10236	15.8
209.11835	79.5
211.13501	5.9
225.00705	7.1
225.11288	15.7
227.12885	15.3
235.08167	7.4
253.09285	16.4
289.18182	4.8
291.19690	9.5
300.99976	5.5
307.19055	6.5
309.20804	34.5
445.20453	6.0
449.68869	4.8
597.36694	4.7
823.42072	58.6
824.41559	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	823.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.2
61.98836	49.6
62.96569	2.8
71.01383	14.1
72.99328	4.6
73.02932	5.4
78.95906	4.7
80.96510	5.5
83.01388	2.9
83.05043	6.6
88.98811	14.0
89.02449	5.3
96.95988	5.0
97.02938	4.0
99.00866	3.1
99.92574	7.5
101.02471	4.5
103.56329	3.2
109.02901	3.3
109.06623	7.2
116.92863	48.1
117.01945	10.8
117.92897	4.9
121.02951	12.4
121.56324	2.7
123.00851	3.5
125.02442	9.8
133.05087	7.2
137.02441	6.7
163.11263	6.5
165.01909	7.6
169.01437	3.6
171.10300	7.8
197.11766	4.7
201.11285	4.0
207.10300	14.5
208.10335	3.3
209.11839	100.0
210.12158	9.3
211.13437	6.3
225.11378	16.0
227.12904	24.7
233.28606	3.3
235.08246	9.0
253.09331	21.7
300.99771	4.3
305.17599	5.1
325.20038	4.0
341.23343	56.2
342.23654	4.9
445.21152	4.6
461.20364	5.5
533.34918	5.2
577.32306	5.6
823.42151	41.4
824.41943	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	823.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67421	2.0
59.01386	6.9
61.98829	25.2
69.77298	5.9
69.77699	7.2
71.01389	36.7
73.02926	2.2
77.21602	2.1
77.36517	2.3
78.95913	4.0
80.96529	4.7
82.95431	5.3
83.01396	3.1
85.02950	2.4
87.16626	2.1
89.02457	3.5
97.06636	2.4
98.20523	3.0
101.02439	4.0
109.06606	7.8
113.02484	3.1
113.06095	4.2
125.02442	6.8
125.06154	3.0
125.09677	4.4
153.05672	2.7
163.11290	6.5
165.69023	2.2
171.10297	13.6
181.12347	2.7
185.11848	2.2
199.09753	15.3
201.11336	9.9
207.10347	20.6
209.11850	100.0
210.12146	8.8
211.13297	3.0
225.11316	21.8
226.11459	3.3
227.12903	27.5
235.08101	5.1
253.09251	14.2
279.16010	2.7
335.55978	2.1
378.18817	2.4
384.77725	2.4
420.23798	2.6
435.18665	5.2
461.20267	8.9
609.29059	3.6
627.30298	3.1
635.30933	4.5
653.30273	6.6
671.33386	5.5
815.04059	2.7
823.39008	12.3
824.40039	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	823.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27903	0.2
70.69985	0.3
74.99095	0.3
79.74735	0.2
96.96036	1.8
117.03477	0.4
119.05032	0.2
124.12943	0.2
125.02452	0.6
129.03407	0.2
145.02948	1.0
152.01173	0.5
157.02989	0.5
163.04002	0.6
167.71671	0.2
169.01471	0.4
169.29044	0.3
173.02429	1.6
175.04047	0.3
185.02455	2.4
189.02037	0.4
201.02002	2.3
211.02582	0.4
213.01888	0.3
217.01472	0.4
226.99866	0.5
229.01447	3.3
229.96140	0.3
230.01749	0.4
242.99266	0.2
245.00946	1.1
247.02370	0.3
257.00995	1.7
258.01108	0.3
265.07498	0.7
271.04645	0.5
283.99640	2.7
291.09067	0.3
299.99124	2.4
300.99902	100.0
302.00241	9.5
521.13312	0.4
521.20380	0.3
714.13806	0.3
852.54987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72120	0.2
59.01381	0.5
61.98840	2.3
69.45773	0.1
69.91291	0.1
71.01385	0.7
71.60662	0.2
72.99298	0.2
73.02953	16.1
74.03275	0.1
75.00888	0.3
85.02984	0.2
87.00875	0.3
89.02466	0.3
95.01395	0.2
96.96038	0.3
99.00886	2.2
99.92592	12.1
100.92599	0.7
101.02472	0.3
103.44537	0.1
114.93443	0.5
115.00397	0.2
116.03565	0.2
116.92873	100.0
117.01950	26.5
117.05574	0.4
117.92882	5.3
118.02302	0.5
123.00964	0.4
123.04586	0.2
125.02482	1.3
125.09768	0.2
133.01407	0.2
137.02510	0.2
142.99857	0.3
145.02986	0.2
158.12660	0.1
165.04144	0.3
165.05501	0.4
169.01445	0.9
169.12292	0.2
179.07104	0.3
180.04219	0.2
201.11446	0.2
209.11801	1.3
210.12189	0.2
227.12921	0.3
271.04459	0.2
301.00040	0.3
311.05396	0.2
449.47198	0.2
805.38171	0.2
823.38727	0.9
824.40167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.8
59.01388	5.2
61.98838	77.7
62.66581	0.9
67.71067	1.0
69.03448	2.0
69.52470	3.5
69.52893	3.2
71.01382	3.2
71.05087	1.0
73.02962	1.8
78.45126	0.9
78.95912	3.4
79.95713	0.9
80.96506	3.3
81.03474	2.0
83.01405	1.9
85.02961	64.3
86.03297	1.0
87.00885	17.5
96.96013	2.3
96.97001	1.1
97.02974	1.7
98.20595	2.2
99.04523	2.3
101.02473	1.9
101.92104	0.9
111.00894	3.6
111.04530	1.0
113.02490	1.8
115.04045	2.0
123.04496	4.2
124.01748	1.0
125.02492	9.5
128.61855	1.0
137.02512	1.1
139.04008	2.7
143.03467	3.0
166.02719	1.1
167.03510	7.2
171.10252	6.1
179.31561	0.9
185.04524	1.6
185.11798	1.6
195.13910	1.7
201.97276	1.0
209.11723	1.2
211.13420	12.9
251.16504	1.3
253.09247	3.5
277.21646	2.3
291.19739	11.6
292.20013	1.7
293.21234	17.0
294.21609	1.5
301.21692	2.3
345.24380	25.4
346.24728	3.0
367.22711	1.1
375.21826	1.6
385.23907	13.5
386.24081	1.7
427.24945	2.8
445.25983	100.0
446.26401	15.1
731.37482	1.8
821.42651	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.00603	0.8
59.01379	4.8
61.98520	0.9
61.98834	15.8
69.03451	1.2
69.26856	3.9
69.27267	0.6
69.58679	0.4
71.01385	6.0
73.02974	0.8
78.95919	1.1
80.96523	1.3
81.03477	0.6
83.05036	0.7
85.02966	1.6
87.00886	1.3
89.02454	3.5
95.01378	0.8
95.05021	0.6
96.95997	1.0
97.02959	0.7
101.02453	4.8
109.06573	0.7
111.08163	9.7
113.02468	3.4
119.03468	1.2
121.10306	0.4
125.02411	2.2
125.09686	0.4
139.04042	0.8
143.03464	0.5
145.05107	0.7
151.11296	0.7
153.05533	1.0
153.12836	0.9
161.04556	3.3
167.10818	0.7
169.12346	3.8
171.10233	1.3
172.76575	0.4
179.05592	0.5
179.10828	0.9
179.14415	0.8
180.24416	0.4
181.12350	0.9
183.13965	0.7
188.49789	0.4
193.12360	0.6
195.13919	7.8
196.14302	0.9
197.11842	44.5
198.12198	3.4
199.13435	2.1
205.12331	0.5
209.11908	1.0
211.13414	6.4
222.59715	0.5
223.13419	5.4
227.12894	1.2
228.13684	1.0
231.21132	0.6
235.08305	2.8
253.09311	26.4
254.09598	1.0
255.23317	0.7
256.13168	1.2
263.20142	2.1
265.18039	0.9
273.18521	1.0
275.20190	5.9
276.20416	0.6
279.23358	2.2
280.23578	1.8
291.19681	15.3
291.22992	0.8
292.20038	2.0
293.21246	100.0
294.21579	10.3
302.21103	0.5
309.20724	55.8
310.21161	5.2
397.13525	0.6
433.21039	0.9
505.30112	1.5
529.30731	0.7
545.29785	1.2
585.41705	2.4
729.45709	0.9
821.42212	2.7
822.44177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.0
59.01097	1.2
59.01383	20.0
60.01756	1.3
61.34731	0.9
61.88433	0.9
61.98832	16.1
67.01904	1.1
69.03473	2.2
71.01386	46.5
72.99316	2.3
73.02959	3.3
75.00897	1.7
80.02682	1.4
81.03457	2.9
83.01384	2.5
83.05025	8.7
84.02211	2.0
85.02942	8.6
87.00892	4.7
88.98806	1.3
89.02444	15.0
95.01381	1.7
95.05032	2.5
96.96025	3.7
97.02995	5.0
97.06594	2.7
99.00900	2.1
101.02453	13.4
109.06582	5.0
113.02443	8.6
116.92864	4.8
119.03517	2.9
123.00886	1.3
124.01751	1.1
125.02453	7.6
125.09754	3.1
127.11307	1.9
135.08238	1.9
143.03493	1.8
155.10829	1.2
158.89072	1.0
161.02451	1.4
161.04515	3.8
163.11301	8.7
165.02054	1.0
165.05569	1.3
165.12894	2.4
169.01433	3.6
171.10281	41.4
172.10655	2.8
176.03499	1.7
179.05591	4.0
181.12309	2.5
183.13933	3.8
185.11812	6.8
189.09192	1.2
189.10977	1.1
191.09077	1.2
191.10773	2.5
197.11708	1.0
199.09816	2.2
201.11342	7.2
207.10274	14.0
208.10623	1.6
209.11852	100.0
210.12177	21.4
211.13495	48.2
212.13774	20.0
213.13956	5.7
225.11336	14.7
227.12865	10.7
228.13251	3.5
229.14360	3.2
235.06079	1.2
235.08153	7.3
241.14459	2.1
243.12451	1.7
249.33920	1.1
253.09334	11.9
267.70895	1.1
271.04694	1.1
291.19739	1.7
300.99890	1.7
305.08618	1.6
307.19058	2.1
309.20691	2.9
327.21793	25.7
328.22031	2.5
341.23318	4.5
379.12466	3.0
397.13599	11.7
398.13934	7.6
399.14066	6.5
415.14444	2.0
417.14972	2.2
451.85602	1.1
461.20267	4.6
591.26410	1.7
609.27374	1.8
693.08832	1.2
771.41522	3.3
789.42780	2.8
790.43835	1.9
821.44873	6.1
822.44928	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	821.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.15648	0.8
59.01377	8.3
61.98831	5.4
65.00292	0.8
67.01884	2.2
69.03472	1.2
69.26655	6.6
71.01386	8.5
71.05035	0.8
72.99310	1.7
73.02943	3.2
78.95916	0.9
79.01894	3.0
81.03492	1.0
83.01395	3.0
85.02949	5.2
87.00883	2.0
89.02444	3.2
95.01398	5.6
96.95996	4.2
97.02959	1.9
98.19880	1.2
99.00894	1.7
101.02469	6.3
101.03104	1.0
104.88494	0.7
105.23737	0.6
107.01392	14.8
107.05043	0.9
107.77411	0.6
109.02934	0.7
110.00121	0.9
111.00887	4.9
113.02467	4.3
116.92858	1.5
120.99724	0.6
123.00896	29.5
123.04498	1.4
124.01719	1.6
125.02455	49.1
125.09727	0.8
126.02780	2.1
127.00399	1.1
135.04543	1.4
136.98843	2.4
137.02429	1.7
139.00378	8.8
140.01184	4.5
141.01923	3.4
149.02473	1.3
151.00386	15.4
151.03944	1.4
153.01956	0.9
154.99818	0.8
163.04051	1.5
165.05573	1.3
167.03458	1.2
168.00639	2.8
169.01437	46.7
170.01814	1.2
176.03592	1.1
177.01871	1.5
179.03532	1.0
181.05159	0.9
185.11871	1.1
195.10300	0.9
209.11829	7.9
211.02451	2.6
227.12891	0.8
253.03461	0.8
271.04681	1.6
273.00208	0.7
275.01913	1.5
299.99103	3.4
300.94138	0.6
300.99930	5.5
302.00156	0.8
313.05737	1.5
383.10828	0.9
397.13571	2.0
475.03387	1.0
484.04199	1.2
641.35431	1.3
659.38055	0.8
713.34357	1.1
761.26093	0.7
821.41888	100.0
822.42322	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	821.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.1
61.98843	1.2
69.03487	0.9
69.50780	0.6
71.01384	5.6
71.04135	1.2
73.02924	1.1
79.01907	0.7
83.01392	0.8
85.02948	0.9
89.02458	8.9
93.03468	17.3
94.03809	1.0
96.96030	2.6
96.96947	0.9
97.02966	1.1
98.95580	0.8
99.00855	2.0
99.86659	0.6
101.02457	2.7
113.02447	1.1
115.11887	0.7
116.92904	0.8
119.05038	67.9
120.05396	3.1
120.06205	0.5
125.02476	5.7
131.03497	1.5
145.02928	1.7
149.02446	0.6
149.04530	1.6
149.06038	0.6
150.03253	5.8
164.04764	1.6
178.02734	25.3
179.03094	1.2
180.32214	0.6
183.13943	1.6
191.05682	1.5
192.04337	2.8
193.05069	60.7
194.05437	4.1
195.13887	1.5
207.06635	2.5
209.11829	2.7
210.12167	1.0
211.06158	1.2
211.13397	1.3
212.13808	0.7
213.14957	9.1
219.06618	1.2
224.03333	3.3
233.06639	4.8
261.92291	0.6
279.91995	0.6
293.08807	13.8
294.09152	1.0
298.08466	1.0
298.33838	0.6
313.10840	100.0
314.11191	11.3
511.90668	0.6
607.20374	51.1
608.20642	9.7
704.56622	0.6
727.77466	0.7
821.38446	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	821.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
58.00586	1.3
59.01103	1.3
59.01384	24.6
59.62805	0.9
61.98835	7.6
64.06019	0.8
69.03445	1.9
71.01388	19.9
72.99292	2.6
73.02939	3.1
75.00870	1.7
80.02682	2.0
81.03458	2.7
83.01397	2.3
83.05028	6.9
85.02971	4.6
87.00887	4.0
88.98811	1.7
89.02451	15.6
95.01372	2.3
95.05027	2.6
95.74969	0.8
96.96018	2.7
97.02948	2.0
97.06595	4.9
98.19884	2.4
99.00899	1.7
101.02456	11.7
113.02475	5.8
114.93431	4.1
115.00350	1.3
116.92879	1.2
119.03490	3.6
119.05008	1.0
123.00945	1.0
123.04470	0.8
125.02444	6.9
125.06092	1.3
129.01936	1.0
131.03468	0.9
136.89966	0.9
137.02403	1.0
143.03526	1.6
147.03000	3.1
147.06635	1.3
151.04031	1.3
151.11278	13.1
152.04790	1.2
161.04587	1.7
163.04045	0.9
163.11296	5.2
165.01872	0.8
165.05528	1.3
165.12842	3.4
169.01413	3.5
169.12352	64.1
170.12715	4.2
171.10243	1.7
179.05597	1.3
181.12271	1.1
185.11641	0.9
191.10796	1.6
209.11841	62.4
210.12170	5.9
211.13406	2.1
212.13918	1.1
213.11337	8.6
221.06711	2.6
227.12938	4.9
228.13235	0.9
300.99725	1.8
356.96420	0.8
366.75195	0.9
397.13303	5.3
415.14752	2.2
593.24341	2.2
611.25470	2.7
612.27380	1.0
781.51459	0.8
803.37341	2.6
821.38184	100.0
822.38477	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	821.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01096	0.5
59.01382	8.2
60.20708	0.3
60.49339	0.3
68.28109	0.3
69.38524	2.4
71.01386	5.0
72.99308	0.7
75.58858	0.3
77.26589	0.3
83.01374	0.5
85.02956	5.6
87.00870	0.4
89.02449	4.9
95.01384	0.9
101.02454	4.3
103.04013	11.6
104.04340	0.4
107.01379	1.9
109.50252	0.3
111.00871	0.8
113.02435	2.3
119.03484	2.6
119.04984	0.3
123.00882	2.0
124.01669	0.7
125.01511	0.6
125.02444	10.5
126.02785	0.6
127.00365	0.3
136.98758	0.4
137.02417	0.5
139.00381	1.1
139.04071	0.5
140.01147	1.1
143.03523	0.4
145.04956	0.4
149.02470	0.3
150.97855	0.3
151.00359	1.8
151.03979	0.6
165.01868	0.5
167.03465	0.6
168.00645	5.3
169.01425	20.4
170.01772	0.9
179.05687	0.7
181.04765	0.3
193.01402	0.3
205.05013	0.4
211.02475	22.3
212.02802	1.0
241.03535	0.8
243.02692	0.3
249.04054	0.7
265.09283	32.2
266.09619	1.8
271.04590	35.5
272.05026	2.4
275.02020	0.4
296.20053	0.3
298.01184	0.3
300.99860	1.7
313.05719	1.3
331.06549	3.2
337.02029	1.7
370.34113	0.4
382.40396	0.3
403.12445	9.1
404.12805	1.5
417.10379	100.0
418.10724	11.7
418.16495	0.5
454.73163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86744	1.4
69.87157	1.9
70.72909	0.6
72.43385	0.7
85.02956	0.6
110.00106	4.8
111.00905	1.6
121.02956	1.9
123.00922	0.9
128.68044	0.6
136.98837	0.6
137.99623	1.5
139.00394	7.1
151.00377	0.7
164.98262	0.6
165.99081	6.0
166.99883	3.0
178.99863	5.3
188.04758	0.7
194.99173	0.8
198.03180	1.1
206.99158	0.7
216.04131	0.7
219.72302	0.7
227.03529	1.2
242.02234	2.6
243.02994	3.5
244.03636	1.2
259.02283	1.4
270.01749	5.7
271.02463	16.8
272.02786	1.3
287.01987	19.9
288.02509	3.1
299.02322	0.9
314.80438	0.7
316.02255	61.3
317.02896	14.1
371.09824	2.7
419.69998	0.8
434.44986	0.7
449.07278	100.0
450.07513	11.6
614.66620	0.9
719.09039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01384	6.7
61.98820	1.7
65.00297	0.7
67.01887	2.4
68.99831	0.6
69.03452	1.2
69.44659	2.6
69.45093	2.3
70.93888	0.5
71.01386	7.9
71.36732	0.6
72.99300	1.8
73.02944	2.4
79.01890	2.7
81.03433	0.7
83.01382	2.5
85.02964	4.0
86.00105	0.7
87.00894	0.9
89.02435	2.1
95.01382	4.6
95.37726	0.6
96.96010	1.4
97.02940	1.9
98.20643	1.2
99.00876	1.2
101.02451	6.0
107.01395	12.7
111.00895	4.9
113.02435	2.6
116.92860	0.6
119.03464	0.7
123.00890	30.5
123.04486	0.6
124.01731	0.6
125.02455	41.7
126.02782	1.2
126.90488	1.5
127.00415	1.6
128.03522	0.7
135.04521	0.6
136.98781	3.1
137.02420	1.2
139.00389	8.1
140.01176	5.9
141.01971	3.6
151.00385	13.9
153.01880	1.2
154.99876	0.7
163.03947	1.0
165.05586	1.0
168.00658	3.5
169.01433	40.6
170.01797	1.7
179.03516	0.7
209.11871	2.9
211.02458	1.8
211.13397	1.8
271.04663	1.1
299.99146	1.1
300.03244	0.6
300.99857	2.6
313.05511	1.6
397.13263	0.8
411.08228	0.6
466.02722	1.0
466.53067	0.9
639.34088	0.9
657.38434	0.6
789.39349	1.4
819.40216	100.0
820.40594	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	819.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.00604	1.1
59.01385	17.3
61.98829	2.0
63.05339	0.3
69.03465	1.5
71.01390	13.4
72.99313	1.1
73.02956	2.0
75.00891	0.6
80.02677	1.2
80.96521	0.3
81.03458	2.4
83.01400	2.1
83.05028	6.3
84.02189	0.5
84.36033	0.3
85.02965	3.1
87.00887	3.7
88.10074	0.3
89.02451	13.0
91.04036	0.4
95.01377	0.9
95.05050	1.1
96.96031	0.6
97.02964	2.6
97.06584	0.4
98.20707	0.7
99.00898	0.8
101.02454	11.0
109.02963	0.3
111.00864	0.3
111.04552	0.6
111.08143	0.4
113.02451	6.4
119.03506	3.7
123.00885	0.5
125.02462	5.2
125.06074	0.7
135.08171	0.8
139.04123	0.4
141.01964	0.6
143.03519	2.3
158.63226	0.3
161.04578	3.1
163.11293	5.0
165.12845	3.1
167.14456	0.5
169.05006	0.4
171.10251	0.6
173.59073	0.3
179.05637	4.6
181.12308	0.7
183.13908	4.7
184.14177	0.4
191.10811	1.1
193.12288	1.5
199.06184	0.4
199.13411	0.4
209.11850	100.0
210.12180	6.9
211.13412	75.0
212.13766	5.9
217.07173	1.1
221.06668	1.4
227.12907	12.7
228.13268	1.1
235.08214	4.8
249.15019	0.7
251.12799	0.4
253.09299	0.8
255.66936	0.3
259.08322	0.4
263.07666	0.3
287.07800	1.8
305.08856	1.6
312.16214	0.3
323.09830	1.0
379.12454	5.2
380.12662	0.7
397.13522	32.6
398.13931	3.0
403.24979	0.6
415.14566	8.0
416.14926	0.6
519.02704	0.4
589.24719	0.5
591.26575	1.4
592.27289	0.4
607.26093	1.2
609.27484	1.9
610.27350	0.4
702.38684	0.3
783.38135	0.8
784.37585	0.4
801.38354	0.7
819.39325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
58.00596	1.2
59.01385	21.4
61.98818	0.9
69.03463	1.4
70.49632	0.4
71.01389	16.6
71.69808	0.4
72.99313	1.3
73.02948	2.7
80.02692	1.3
81.03452	2.1
83.01413	1.6
83.05024	5.8
84.02168	1.1
85.02969	4.0
87.00887	4.3
89.02455	16.1
95.01403	1.0
95.05067	0.9
97.02974	2.8
98.19836	0.8
99.00880	0.4
101.02458	12.0
111.04535	0.4
113.02457	7.7
115.04039	0.4
119.03529	4.1
125.02453	6.0
127.54267	0.4
131.03539	0.9
133.05009	0.4
135.08160	0.7
138.78011	0.4
143.03519	2.2
149.04568	0.6
149.21397	0.4
155.10718	0.5
161.04601	2.9
163.11281	4.1
165.12865	3.0
167.03525	0.4
167.14432	0.8
171.10258	0.5
175.93007	0.4
179.05617	4.7
181.12305	0.6
183.13927	7.1
185.04588	0.5
191.10817	1.0
193.12326	2.3
209.11853	100.0
210.12202	7.6
211.13416	91.9
212.13745	6.5
217.07246	0.8
221.06676	1.5
227.12898	13.4
228.13269	1.4
235.08224	5.0
245.06682	0.5
249.15031	1.1
253.09308	0.6
287.07690	1.9
305.08746	2.3
323.09818	0.8
328.59479	0.5
379.12485	5.5
380.12637	0.9
397.13531	40.6
398.13901	3.9
415.14600	10.7
415.18872	0.2
416.14880	0.9
540.46417	0.5
589.25140	0.6
591.26508	1.7
607.25867	1.1
609.27722	3.6
610.27765	0.6
783.37878	1.0
801.37762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98840	100.0
71.01389	3.6
71.61110	0.9
71.61495	0.9
78.28294	0.7
78.95920	2.0
79.95736	0.9
80.96535	3.2
81.03442	0.8
82.06633	1.8
87.05739	4.6
88.98830	1.1
94.98121	1.1
97.04128	1.0
112.07714	1.3
118.06644	1.1
125.02490	3.5
129.10368	15.1
130.08788	2.3
139.04012	1.2
139.08817	3.2
140.07164	3.8
146.06187	1.5
153.05632	0.9
153.10454	1.3
155.08319	3.2
164.09612	3.4
165.10361	5.1
167.08270	0.9
167.10654	0.8
182.13046	2.6
183.11436	2.5
195.15138	1.7
197.11928	3.1
197.16679	2.5
198.12553	1.2
200.14130	3.5
207.10371	1.2
207.15041	14.4
207.16943	0.9
208.15536	0.8
209.11774	1.0
211.13434	1.5
224.17696	5.9
225.00774	1.1
225.16225	2.9
241.13594	2.4
242.12027	2.0
242.18729	10.4
243.19148	0.9
259.14523	4.4
268.16833	1.0
276.17297	1.7
295.21234	6.1
306.53299	0.9
312.17343	1.4
313.22415	3.9
329.20316	0.9
330.18381	2.1
337.26035	6.0
338.26230	0.8
347.20886	1.8
353.36526	0.7
355.27112	3.7
371.24664	1.7
389.25436	1.0
426.31082	1.1
450.34695	0.8
468.35025	1.2
522.37714	0.9
539.39569	1.3
573.38269	2.5
782.51929	86.7
783.52228	28.3
783.66443	1.3
818.50598	9.0
819.38928	1.3
819.51660	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	817.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01379	1.8
66.86570	1.0
69.46446	7.6
71.01389	1.2
71.05006	2.4
71.60964	1.0
78.95882	1.6
79.95765	1.2
80.96507	5.3
81.03475	2.5
82.96100	1.1
83.05038	3.5
83.97920	1.0
85.02967	2.4
85.06618	1.2
94.98082	1.2
95.01388	1.1
97.02971	1.3
98.19860	2.2
99.04539	6.4
109.02973	3.0
111.04539	1.2
113.02440	1.7
116.24129	0.9
119.02834	1.0
125.02458	8.5
125.06044	1.7
127.04021	14.8
139.04041	1.2
145.15230	1.1
151.04018	2.8
152.04770	1.6
153.05569	3.6
167.03532	2.6
169.05161	1.3
183.59668	0.9
225.00697	1.2
246.55078	1.0
303.23364	4.4
345.27972	1.7
369.28223	1.2
370.90421	1.2
371.25867	7.3
372.26517	3.6
375.25476	2.9
385.23474	1.3
385.27737	1.1
387.29135	4.4
389.26907	2.3
413.26965	2.4
431.28030	100.0
432.28424	16.2
763.80072	1.3
817.45660	10.9
818.45740	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	818.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61343	0.1
61.98835	100.0
62.98542	0.2
74.99470	0.1
76.25233	0.1
76.83280	0.1
77.70794	0.1
79.86942	0.1
80.96510	0.1
93.34153	0.1
98.20617	0.3
105.27797	0.1
197.11847	0.1
209.11926	0.1
211.13382	0.1
225.00789	0.1
229.36525	0.1
627.25287	0.1
819.38849	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98538	0.2
78.60702	0.1
80.96529	0.1
83.87994	0.1
98.20712	0.2
110.78664	0.1
125.05474	0.1
209.11847	0.2
227.20665	0.1
321.59012	0.1
692.77911	0.1
818.36945	0.2
828.86603	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98833	100.0
62.98540	0.2
63.20040	0.1
66.36403	0.1
67.17551	0.1
69.50920	0.1
69.51326	0.6
71.01382	0.8
71.39899	0.1
78.98615	0.1
79.95355	0.1
79.95724	0.6
80.96519	2.7
85.02975	0.2
87.00905	0.2
89.02457	0.2
94.98090	0.7
96.96011	0.1
97.02987	0.1
100.76756	0.1
101.02480	0.3
106.98090	0.1
109.06593	0.1
113.02471	0.1
116.92883	0.2
122.97588	0.1
125.02453	0.4
134.97601	0.1
148.99167	0.3
150.48801	0.1
152.98634	0.2
163.11261	0.1
164.98628	0.5
171.10303	0.3
183.13998	0.1
185.11855	0.1
197.11761	0.1
206.99722	0.1
207.10367	0.2
209.11858	0.6
211.13379	0.7
212.13799	0.2
225.00798	0.6
225.11505	0.2
226.30292	0.1
227.12900	0.1
253.09380	0.1
309.20834	0.1
396.48297	0.1
397.13770	0.2
420.24973	0.1
618.04419	0.1
801.39465	0.1
818.39526	0.3
819.38538	3.2
819.53021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98833	100.0
62.04353	0.1
62.98541	0.3
69.41448	0.1
71.01386	0.2
71.61091	0.1
74.38072	0.1
75.00847	0.1
78.91896	0.2
78.95921	0.3
79.95731	0.5
80.91708	0.2
80.96521	1.3
94.98106	0.2
98.19918	0.3
106.98150	0.1
110.78109	0.1
111.02664	0.1
125.02464	0.4
164.98608	0.1
174.81769	0.1
199.63649	0.1
207.10182	0.1
209.11876	0.2
211.13419	0.3
215.12823	0.1
221.11795	0.2
225.00870	0.3
227.12869	0.1
245.73027	0.1
291.19717	0.1
293.21216	0.2
332.12164	0.1
469.87531	0.1
504.70255	0.1
733.31824	0.2
818.38324	0.2
818.52185	0.1
819.37927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
58.00601	0.5
59.01384	11.9
61.98834	7.5
69.03455	1.1
71.01385	12.8
72.99317	1.3
73.02950	1.9
75.00874	0.4
80.02661	0.7
80.96535	0.6
81.03458	1.6
83.01395	1.6
83.05022	3.9
84.02177	0.6
85.02946	2.7
87.00880	3.1
89.02454	9.7
90.02802	0.3
91.03994	0.3
93.03445	0.2
94.98095	0.3
95.01393	1.3
95.05030	0.5
97.02957	2.5
97.06528	0.3
99.00880	0.8
101.02449	9.5
109.02907	0.4
109.06596	0.8
111.04531	0.7
113.02463	4.9
114.27850	0.2
115.00386	0.5
116.92889	0.6
118.57078	0.3
119.03516	2.5
121.03024	0.2
123.00854	0.2
125.02457	4.7
125.06078	0.4
125.09747	0.4
126.90417	0.5
127.04072	0.3
131.03564	0.3
135.08151	0.6
139.03976	0.4
141.01952	0.3
143.03491	1.7
149.04590	0.3
149.05998	0.3
161.04550	2.4
163.11288	3.3
165.12854	1.7
167.03540	0.4
171.10341	0.3
177.10013	0.3
179.05614	2.5
179.10765	0.5
181.12326	0.7
191.10785	1.0
197.11845	1.6
198.12178	0.3
199.06126	0.4
199.13383	0.3
207.10226	1.4
209.11836	100.0
210.12155	6.7
211.13371	2.9
217.07173	0.4
221.06664	1.0
223.13345	0.6
225.11322	4.0
226.11729	0.4
227.12878	8.1
228.13231	0.8
235.08272	3.1
239.12888	0.6
241.14415	0.5
251.12979	0.7
253.09306	1.0
259.08450	0.2
263.07648	0.3
273.17120	0.4
287.07660	1.1
305.09030	1.3
323.09848	0.8
327.21832	0.7
375.25095	0.2
379.12482	5.1
380.12827	0.7
391.24521	0.4
397.13531	23.9
398.13815	2.6
401.23331	0.4
415.14594	5.4
416.14874	0.5
589.25098	0.5
605.24072	0.4
607.26276	1.3
623.25781	0.5
799.38062	1.9
800.40027	0.4
817.38013	1.7
818.39618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01384	1.9
61.98833	8.4
65.00337	1.6
67.01897	1.0
69.03455	0.9
71.01395	4.5
71.62012	0.7
73.02966	1.5
79.01881	0.8
79.92056	0.6
79.95732	0.7
81.03474	0.8
83.01395	1.8
85.02962	2.6
87.00908	1.2
88.98789	0.8
89.02473	1.5
95.01403	2.1
96.96004	3.8
97.02948	1.4
99.59369	0.6
101.02428	3.7
107.01403	12.5
109.02984	0.8
111.00911	2.1
113.02464	5.7
116.92860	0.8
119.05054	0.7
121.02955	0.8
123.00894	10.4
124.01679	0.9
125.02456	74.0
126.02789	2.3
135.04535	8.7
136.05312	0.7
136.98871	1.0
137.02455	0.8
139.00389	3.7
139.03995	0.9
140.01166	2.4
141.01947	1.6
143.03511	0.8
149.02437	1.3
149.04526	0.7
151.00386	16.2
151.03963	0.9
152.00758	1.1
157.74605	0.7
161.02467	1.6
164.01093	0.7
165.01874	1.0
165.05588	1.5
168.00717	3.2
169.01437	100.0
170.01849	3.2
179.03545	2.4
193.01527	0.7
209.11853	2.5
210.12207	0.7
223.02437	1.7
225.04012	1.6
225.11516	0.7
227.12938	0.7
247.13277	0.7
253.03493	0.6
271.02518	0.7
271.06171	0.9
287.05612	6.1
288.06128	0.7
300.99963	2.9
313.05649	54.8
314.06049	4.1
315.81314	0.7
346.08542	0.7
354.15512	0.7
485.32266	0.8
601.82715	0.8
621.58911	0.7
655.20190	1.2
655.36957	1.1
799.38562	1.3
817.40192	60.2
818.40320	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	816.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
60.99314	0.3
61.98835	100.0
62.60566	0.1
62.98533	0.2
65.56705	0.1
66.69387	0.1
70.34781	0.1
70.35170	0.1
71.01416	0.2
72.99342	0.1
78.91909	0.2
79.95766	0.2
80.96542	0.5
84.11482	0.1
88.98827	1.1
89.02473	0.2
94.98062	0.2
98.20634	0.3
140.44872	0.1
164.98596	0.1
209.11906	0.6
210.12178	0.2
217.61606	0.1
218.14034	0.1
223.13385	0.1
225.00879	0.3
231.03116	0.1
369.26303	0.1
656.38525	0.1
817.38275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
64.54953	0.5
69.66235	0.9
69.66638	2.7
86.34115	0.5
96.96062	2.5
107.01444	1.0
123.00993	0.7
124.01707	1.5
124.47694	0.5
125.02482	3.0
137.02496	1.2
147.04529	1.9
151.00377	5.2
152.01227	0.9
163.00407	1.4
164.01175	1.5
165.01984	0.7
165.05626	0.7
169.01476	2.4
178.99855	4.6
191.05644	8.7
193.14461	0.5
203.03558	0.8
214.02713	4.3
215.03351	0.7
229.01532	0.7
242.02216	3.3
243.02951	2.0
259.02383	3.0
270.01657	5.6
271.02493	24.9
272.02930	1.9
279.05011	0.7
279.09070	0.9
287.01990	13.0
288.02548	1.8
300.99829	1.9
313.05600	0.7
316.02231	81.5
317.02838	17.0
318.03345	1.7
337.09363	2.3
479.08234	100.0
480.08600	13.5
669.78180	0.6
790.25507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98292	0.2
60.32020	0.2
61.98828	0.2
62.29403	0.2
65.46448	0.1
71.05035	0.8
71.37630	0.4
79.95731	2.2
79.96120	0.2
95.95229	0.7
96.96016	100.0
97.95953	0.3
98.95607	0.2
123.00893	0.3
125.02450	0.8
137.02414	0.2
161.02432	0.2
165.05522	0.2
169.01361	0.4
193.05086	0.4
211.13440	1.3
247.10052	0.5
291.09094	56.6
292.09406	4.9
300.99863	0.4
655.35223	0.3
734.63519	0.2
817.40253	0.9
818.41711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00593	0.9
59.01386	14.3
61.98838	10.6
69.03453	1.3
71.00996	0.6
71.01389	11.6
72.99312	1.2
73.02963	1.9
75.00867	0.4
76.66879	0.3
80.02682	1.1
80.96528	0.8
81.03470	1.8
83.01395	1.5
83.05029	4.1
84.02190	0.7
85.02969	3.3
87.00887	3.7
88.98880	0.3
89.02454	11.0
93.03476	0.4
95.01389	0.7
95.05025	0.9
96.96037	0.4
97.02959	2.1
97.06606	0.3
98.20625	0.8
99.00901	0.8
99.04505	0.4
101.02456	7.9
107.05048	0.3
109.06609	1.6
111.04522	0.4
113.02461	5.4
115.00408	0.3
115.03994	0.4
119.03515	2.7
119.05060	0.3
123.00845	0.4
123.04618	0.4
125.02456	4.8
125.06114	0.4
125.09746	0.6
125.34653	0.3
131.03558	0.6
135.08145	0.6
139.04031	0.3
142.02641	0.3
143.03514	1.4
149.04610	0.5
151.11282	0.5
161.04607	2.5
161.09694	0.3
163.11310	4.3
165.12846	2.1
167.03522	0.3
169.12386	1.2
171.10291	0.7
175.02591	0.7
179.05638	2.9
181.12346	1.0
183.13898	0.7
191.10860	0.5
197.11807	0.6
199.13414	0.4
205.12379	0.5
207.10262	4.2
209.11848	100.0
210.12184	7.2
211.13428	5.0
212.13808	0.4
217.07141	0.7
221.06668	1.2
223.13489	1.0
225.11307	5.0
226.11768	0.8
227.12914	8.3
235.08290	3.4
245.06770	0.4
251.12845	0.7
253.09230	0.9
263.07748	0.5
263.57767	0.3
287.07736	1.3
291.93585	0.3
305.08859	1.1
305.53821	0.3
321.20828	0.4
323.09839	0.6
339.23297	0.3
379.12479	4.3
380.12781	0.4
383.22632	0.8
391.25247	0.4
397.13531	21.0
398.13800	1.7
401.23331	1.0
415.14606	4.9
416.14896	0.5
419.24496	0.5
446.21362	0.3
462.53452	0.3
589.25342	0.6
607.26465	0.7
623.26361	0.6
709.82635	0.4
714.52582	0.3
771.38470	0.7
781.37512	0.8
799.37683	2.6
800.38599	0.8
817.38464	4.7
817.51685	0.6
818.39606	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	815.507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
68.40511	4.7
71.01377	11.8
71.05016	5.6
71.61227	6.8
77.78148	4.0
78.98600	10.9
79.95739	19.3
80.96062	6.9
80.96528	100.0
82.96104	9.4
94.98089	16.3
101.02424	6.7
105.43385	4.5
109.02959	4.6
122.97591	9.6
125.02447	20.1
136.99136	4.4
139.04024	10.9
143.38145	4.7
148.99185	8.7
151.74489	4.2
152.98636	9.0
153.05530	4.6
164.98602	19.2
202.47794	4.3
225.00737	18.5
227.79478	5.8
255.23167	5.5
388.25562	5.2
427.24838	18.9
711.38654	12.9
815.50116	86.5
816.50696	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98836	100.0
62.98546	0.2
65.21942	0.1
65.28718	0.1
70.07924	0.5
71.01406	0.2
79.95746	0.2
80.96515	0.9
92.06329	0.1
116.92850	0.2
118.82571	0.1
135.20268	0.1
152.98853	0.1
164.98671	0.1
176.67386	0.1
197.11829	0.2
209.11902	0.2
210.12282	0.2
211.13492	0.1
225.00803	0.3
239.12918	0.2
273.17346	0.2
289.18222	0.1
816.50616	0.3
817.38123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
59.01368	4.2
60.61861	2.2
70.07706	7.5
70.08118	3.9
71.01376	4.0
71.05018	2.3
78.95910	9.2
78.98598	2.4
79.79470	2.0
79.95742	6.0
80.96523	27.6
83.05031	4.2
85.02958	5.5
85.06581	3.8
85.75082	2.1
94.63424	2.0
94.88938	1.9
94.98102	4.9
95.05027	2.2
99.04491	10.8
109.02962	4.4
113.06076	4.1
123.04497	3.8
124.96555	2.0
125.02427	9.9
125.06062	2.5
127.04014	18.3
136.05191	2.3
138.37761	1.9
141.05615	10.5
148.99117	2.4
150.05768	2.0
151.03981	5.5
152.04790	3.1
152.98611	2.7
153.05589	5.8
164.98672	6.5
167.03511	4.6
169.05035	3.0
209.11786	5.0
210.12222	2.1
225.00755	6.8
241.01277	3.9
250.04985	1.9
255.23360	4.1
303.23260	3.8
313.04727	1.9
366.75378	2.3
371.25897	6.6
375.25397	3.0
387.29019	5.3
389.26859	3.0
389.48602	2.4
413.26846	3.1
431.27988	100.0
432.28372	18.0
443.28040	54.7
444.28275	9.4
485.18808	2.3
815.45917	28.4
816.45239	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	815.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.0
60.50240	0.4
61.98815	0.7
63.96232	2.4
66.49012	0.4
69.03449	1.2
69.49221	1.5
69.49651	1.6
71.01389	11.1
72.99287	0.5
73.02954	1.9
78.98598	8.4
79.95741	17.3
80.96521	100.0
81.03460	1.1
81.96452	0.6
83.01393	0.4
85.02948	3.2
87.00883	3.7
94.49783	0.4
94.98094	22.0
96.95985	1.1
97.02956	2.1
97.90610	0.4
99.00874	0.6
101.02458	3.2
106.98105	3.7
122.97605	4.2
125.02472	3.7
127.03996	1.1
128.32607	0.5
134.97604	6.9
136.99123	1.3
141.01715	0.7
143.99129	0.5
148.99149	6.6
152.98656	6.1
164.98637	15.4
167.00204	0.7
188.98688	0.7
206.99731	3.0
225.00749	18.4
226.00949	0.5
253.34808	0.5
255.23244	2.0
277.21613	0.7
283.04794	0.6
537.27502	1.5
559.26031	1.4
815.49860	83.1
816.50232	23.7
816.62274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
57.88632	0.2
59.01368	0.3
61.04732	0.2
61.98829	0.8
68.88428	0.2
69.55441	1.3
71.05001	0.4
79.95728	2.7
79.96141	0.3
95.94749	0.3
95.95287	1.0
96.96014	100.0
97.95950	0.2
98.95591	0.8
107.08638	0.6
113.02505	0.2
123.00816	0.2
125.02430	0.6
127.00389	0.2
132.79588	0.2
140.82350	0.2
153.05621	0.2
167.14349	0.6
169.01447	0.5
211.13364	3.2
212.13846	0.2
247.10120	1.8
248.10406	0.3
256.13058	0.3
273.07852	0.5
291.09091	79.0
292.09393	6.3
293.08853	0.3
300.99957	0.6
337.93381	0.2
437.90082	0.3
591.60651	0.2
802.68811	0.3
835.11023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
57.50392	0.4
58.00606	0.6
59.01387	22.5
61.43118	0.4
61.98839	17.4
69.03451	4.0
71.01388	19.5
71.05019	0.6
71.29216	0.5
71.59721	0.6
72.99305	2.2
73.02950	4.1
75.00879	0.9
78.95897	1.2
78.98565	0.6
79.95734	1.3
80.96523	6.2
81.03461	1.3
83.01387	2.3
83.05009	0.8
85.02957	5.5
86.77012	0.4
87.00872	5.3
89.02454	19.9
91.03973	0.5
93.03476	0.7
94.98085	1.7
95.01367	1.7
95.05019	0.5
96.27627	0.5
96.96011	0.9
97.02966	3.6
99.00886	1.3
99.04444	0.6
101.02449	16.5
109.06592	1.2
111.00911	0.5
111.04527	0.8
113.02457	8.5
116.92864	0.8
119.03500	4.9
125.02465	6.5
125.09745	0.7
131.03557	0.7
139.03975	0.8
141.01881	0.6
143.03493	2.6
145.05049	0.5
149.09729	0.7
152.98668	0.6
161.04536	4.3
164.98616	1.1
165.12912	0.6
167.03532	0.6
167.10783	3.4
167.14420	0.5
171.10217	1.0
177.12894	0.6
179.05629	5.1
179.10788	1.3
179.14389	3.0
180.06070	0.5
183.13910	7.4
193.12309	2.3
195.12231	0.7
195.13911	8.1
196.14203	0.4
197.11830	1.0
205.12340	8.1
207.10254	1.5
209.11826	5.8
210.12143	0.4
211.13403	100.0
212.13737	6.5
217.07114	0.7
221.06639	1.5
223.13403	77.7
224.13673	3.9
225.00793	0.9
225.11292	0.7
227.12874	1.8
235.08214	4.6
237.14905	0.9
253.09311	1.4
263.07724	0.6
287.07776	1.3
291.19595	0.8
305.08795	1.6
308.62476	0.5
309.20792	1.2
323.09772	1.7
369.26520	0.5
379.12460	6.4
397.13525	40.5
398.13776	3.7
415.14594	8.8
415.19766	0.9
416.15060	0.5
417.26373	1.4
591.26617	3.8
603.26422	5.5
604.26740	1.0
609.27698	5.1
610.28302	0.8
621.27618	6.1
622.28345	1.1
646.98615	0.5
771.38403	0.5
797.39008	2.8
798.39630	0.6
815.37274	1.0
815.51654	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	815.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65353	0.7
79.95729	2.6
82.41555	0.1
91.78989	0.1
95.95217	2.0
96.96020	52.4
97.95940	0.2
112.15347	0.1
125.02414	0.2
181.08890	0.1
182.18695	0.1
197.06187	0.1
249.08028	100.0
250.08357	6.3
290.83490	0.2
300.99896	0.4
307.08466	0.2
381.03018	0.2
444.96634	0.1
447.03693	0.1
663.38232	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	815.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.24453	0.4
59.01380	4.2
67.01922	0.7
69.03441	0.6
69.55718	2.7
71.01392	5.0
72.99294	1.1
73.02944	1.3
75.00876	1.7
79.01889	0.5
83.01382	0.9
83.04991	0.4
85.02962	3.7
87.00881	0.8
89.02448	2.4
95.01382	2.0
96.96004	1.2
97.02972	0.4
99.00882	1.2
101.02437	2.1
107.01388	2.9
109.02969	0.6
111.00892	1.6
111.04533	3.8
113.02465	3.3
119.03512	0.9
119.04972	0.4
121.02962	8.3
123.00900	7.9
123.04515	0.4
125.02456	14.7
126.02832	0.5
129.05624	2.0
135.04489	0.4
136.98831	0.6
139.00385	2.6
140.01147	1.3
141.01927	0.8
151.00383	5.4
153.02042	0.5
161.02438	0.5
165.01907	0.5
168.00627	2.2
169.01428	20.0
170.01747	0.7
175.02458	0.3
175.03978	0.4
211.02484	2.6
231.05096	0.5
249.04166	0.6
249.06219	4.2
253.03519	0.6
267.16110	0.5
271.04666	3.3
271.69885	0.4
291.10846	8.4
292.11401	0.5
300.99948	3.5
302.00104	0.6
313.05621	3.1
316.02271	1.1
371.09845	13.4
372.10123	1.9
429.14432	0.5
443.11914	100.0
444.12234	11.0
449.07242	1.6
550.67596	0.4
788.51978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
69.47631	1.9
71.05013	0.8
79.95712	2.2
95.95257	0.3
96.96013	100.0
97.95934	0.4
98.20595	0.4
98.53687	0.2
98.73649	0.2
100.43297	0.3
127.35151	0.3
171.34993	0.3
188.89415	0.2
211.13406	1.8
247.10069	0.7
273.08133	0.6
275.53049	0.2
279.99582	0.2
291.09082	70.2
292.09366	6.5
402.27032	0.3
448.18448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02968	0.6
70.30163	1.2
70.30527	1.4
74.04346	0.5
89.37236	0.5
95.01374	0.8
96.96075	0.6
117.03482	0.7
119.05011	1.3
123.00888	1.7
125.02518	1.4
129.03453	1.0
130.04369	0.6
133.02977	1.0
145.02934	3.8
147.04514	2.1
157.02936	2.5
158.03784	0.8
159.04541	3.1
161.02406	2.0
163.03996	2.0
171.00893	0.8
173.02434	4.2
175.03975	4.3
177.01953	1.0
185.02446	5.4
189.01949	1.4
190.02693	0.9
191.03487	3.0
201.01895	7.7
202.02408	1.1
203.03505	8.8
205.01414	1.0
213.01933	1.6
217.01468	2.5
218.02057	0.7
219.02972	3.0
226.99751	1.3
228.00722	0.9
229.01425	18.6
230.01898	1.5
231.02983	6.5
245.00946	4.1
246.01384	0.8
247.02469	2.7
248.03136	0.9
249.04039	6.2
250.04279	0.7
257.00925	14.7
258.01605	5.6
259.02081	1.0
273.00330	1.4
274.01157	2.5
275.01981	55.2
276.02350	3.7
283.99643	4.4
299.99045	4.0
300.99893	100.0
302.00281	7.6
481.06140	1.6
485.24899	0.6
739.83374	0.7
783.06726	23.1
784.07928	3.4
815.09552	16.1
816.09753	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	814.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98834	100.0
62.98540	0.2
71.01380	0.3
71.61540	0.2
75.00856	0.1
79.95728	0.2
80.96508	0.9
83.01377	0.1
89.02434	0.1
94.98102	0.3
108.00880	0.1
108.09087	0.1
109.06584	0.2
116.92854	0.2
125.02413	0.2
125.09731	0.2
179.67395	0.1
197.11850	0.2
207.10341	0.3
208.61438	0.1
209.11911	0.3
211.13321	0.2
225.00757	0.2
273.17108	0.4
287.38757	0.1
300.99799	0.2
311.06924	0.2
315.04068	0.1
325.24850	0.1
699.74231	0.2
767.17322	0.1
815.39349	0.6
815.52002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.1
61.98833	100.0
67.19423	0.1
71.60839	0.1
75.00868	0.4
77.38954	0.1
80.96514	0.2
145.60600	0.1
197.11929	0.3
209.11890	0.3
223.13408	0.2
224.13747	0.1
309.20892	0.2
310.21051	0.1
504.91476	0.1
815.50317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98833	100.0
62.98528	0.2
64.03722	0.1
69.64026	0.6
71.01379	0.2
75.00887	0.3
78.95930	0.1
80.96524	0.4
102.34106	0.1
125.02461	0.2
136.22371	0.1
159.81355	0.1
168.24847	0.1
197.11824	0.1
209.11852	0.1
211.13437	0.3
223.13460	0.2
224.13831	0.2
253.09283	0.1
282.26608	0.1
292.43173	0.1
301.14590	0.1
310.21246	0.1
311.21707	0.1
327.51059	0.1
411.16220	0.1
476.18570	0.1
559.85193	0.1
681.11810	0.1
815.50177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
62.67224	0.9
68.80274	0.9
71.01370	1.8
73.62723	0.8
78.95912	82.5
78.98576	1.4
79.95740	3.6
80.02683	2.1
80.96527	16.7
81.03464	2.1
82.96200	0.9
83.05043	7.5
84.02155	1.9
94.98096	3.8
95.05039	1.3
96.96977	19.2
108.01928	0.9
122.97589	1.4
125.02447	2.0
134.97609	1.2
135.08096	1.0
148.99179	0.8
152.99625	18.9
153.45995	0.8
163.11276	5.7
164.98619	2.7
165.12877	4.0
191.10818	1.6
209.11850	80.0
210.12187	5.4
223.00200	5.6
225.00655	4.0
227.12927	4.6
241.01210	34.9
242.01547	1.3
255.23312	49.2
256.23581	3.5
259.02191	1.7
290.09122	1.1
297.03745	1.9
326.22858	0.9
363.12262	0.9
379.28253	0.9
391.22473	2.8
395.14862	1.0
396.84735	0.9
398.74429	0.9
427.24869	1.0
434.05969	0.9
471.86865	0.9
553.28156	2.1
557.19891	1.3
709.38177	7.2
710.38190	1.0
781.41016	5.1
782.41040	1.3
795.42230	2.8
801.41278	1.1
813.44092	100.0
814.44452	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.6
61.98833	1.7
71.01387	3.5
78.95912	71.5
78.98586	2.0
79.95744	7.8
80.96533	36.0
81.03465	5.1
82.96080	2.2
83.01409	15.2
83.05035	7.6
84.02141	1.8
91.40007	1.6
94.98080	7.3
96.96976	17.5
106.98135	2.5
112.80297	1.7
116.88054	1.8
122.97578	2.3
125.02460	67.5
126.02838	1.7
134.97592	2.1
148.99100	2.5
152.98579	2.2
152.99628	14.8
153.05556	4.5
163.11273	5.8
164.98618	4.1
165.12827	3.1
167.03395	2.4
209.09860	3.6
209.11844	67.0
209.47485	2.0
210.12180	3.2
223.00182	4.3
225.00806	8.2
227.12849	3.0
229.35634	1.9
241.01192	33.0
241.78227	1.6
255.23296	39.4
256.23560	4.4
259.02252	3.4
301.21570	2.7
315.04770	2.0
385.23907	19.1
386.24173	2.3
391.22748	2.5
427.24869	25.2
428.25259	3.7
630.50586	1.8
709.38446	15.9
710.38586	2.9
781.41479	4.7
795.42249	2.7
813.44049	100.0
814.44330	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	813.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
61.81383	0.3
66.55430	0.3
69.44008	2.5
71.05022	0.8
79.95739	2.6
83.76243	0.3
85.43169	0.3
90.05118	0.3
95.95272	1.0
96.96014	100.0
99.77001	0.3
107.08649	0.7
167.14439	0.4
184.18484	0.3
184.95612	0.3
193.01486	0.3
211.13405	2.4
247.10159	1.8
273.08060	1.2
291.09097	76.3
292.09424	6.5
342.16748	0.3
367.51703	0.4
421.92380	0.3
444.60699	0.4
601.64105	0.4
687.07220	0.3
748.61084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30211	0.2
69.30763	2.1
71.05033	0.5
79.95726	2.0
95.95295	0.3
96.96015	100.0
97.95963	0.3
98.20644	0.4
98.95614	0.2
125.02412	0.2
129.74159	0.2
211.13336	1.0
217.29976	0.2
247.10149	0.4
273.07904	0.3
291.09091	60.1
292.09427	4.4
340.50009	0.3
547.26648	0.2
607.95862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.8
59.01380	3.2
61.98834	32.6
63.59916	0.8
63.89300	0.8
68.51830	0.8
69.47906	4.6
69.48311	1.3
71.01392	4.2
78.11066	0.9
80.02692	1.2
81.03474	1.6
83.05013	4.8
84.02182	0.9
85.02974	0.8
89.02467	1.6
90.98726	0.7
95.05009	0.9
97.06619	1.2
98.20584	1.3
101.02441	2.1
109.06674	1.1
111.00792	0.8
113.02447	1.4
114.85140	0.7
125.09717	1.1
135.08243	1.0
151.11258	1.5
161.04547	1.0
163.11311	2.9
165.12831	4.0
181.12364	2.6
191.10683	1.4
203.38434	1.0
207.10341	1.6
209.11838	100.0
210.12173	8.1
211.13333	1.4
227.12907	15.3
235.08261	3.3
253.09280	7.3
263.20154	2.8
271.16959	1.1
289.18137	7.3
299.23901	0.9
304.56741	0.8
305.72867	0.8
307.19113	13.9
341.26224	0.9
380.06824	0.9
385.55624	0.9
445.20831	2.3
481.36172	0.9
514.14484	0.9
543.27747	1.2
637.32202	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	811.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96250	2.3
70.08504	11.4
71.01365	10.0
73.02924	4.2
77.93665	2.1
78.98598	6.7
79.95753	19.7
80.96523	100.0
81.03462	5.8
82.96107	4.0
85.02917	3.8
87.00882	4.1
94.98084	21.3
101.02412	5.2
106.98110	4.7
122.97574	5.8
125.02438	6.4
134.97585	2.9
136.99136	2.3
148.99124	7.7
152.98622	7.5
153.05458	2.1
164.98647	15.4
177.00175	2.2
206.99728	3.9
225.00739	26.3
255.23195	2.5
287.93219	2.3
343.26218	2.7
387.25424	48.7
388.25616	5.4
397.90710	2.2
647.84882	2.5
718.16705	2.5
767.43494	4.2
779.39392	6.2
780.37573	2.8
811.44940	86.1
812.45398	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	811.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
61.98825	5.6
66.79996	1.5
69.41575	4.5
69.41998	7.9
71.01387	6.4
71.05004	2.5
79.01896	3.6
79.95760	9.0
80.96520	42.8
85.06615	2.1
87.00868	2.2
94.98093	8.7
95.05030	3.9
97.02940	5.8
101.77335	1.6
102.23183	1.3
109.06627	3.5
111.04550	2.8
125.02488	3.1
125.75925	1.4
127.55453	1.9
134.97551	2.0
135.04512	2.2
139.03987	14.0
139.45636	1.6
148.99185	2.7
152.98659	3.3
153.05557	11.3
164.98633	4.1
165.01886	2.0
166.02713	1.8
179.03514	3.3
180.04253	4.5
194.05832	3.5
207.10098	1.6
225.00772	10.0
255.23387	2.3
298.09412	1.6
355.26480	7.9
367.26291	2.5
399.25418	100.0
400.25748	15.8
411.25421	61.0
411.30911	2.6
412.25732	11.3
511.79593	1.5
524.54663	1.5
603.78986	1.5
713.40869	3.7
779.38751	2.2
811.44910	22.7
812.45032	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	813.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.3
70.15907	0.1
70.25678	0.1
70.26027	0.4
79.95741	1.8
95.95284	0.2
96.96017	100.0
97.95963	0.3
98.95592	0.4
123.04474	0.1
125.02445	0.3
161.03577	0.4
169.01424	0.3
176.17654	0.1
211.13399	0.7
235.71114	0.1
265.07404	0.3
275.01950	0.2
289.07434	0.4
290.07895	0.3
291.09113	50.6
291.12537	2.8
292.06311	0.2
292.09454	3.5
292.12753	0.1
300.99823	0.7
440.69894	0.1
646.76611	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	811.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
60.19501	0.3
60.99309	2.9
61.98841	2.2
71.01390	1.1
73.02957	0.6
85.02948	0.5
88.98815	14.3
89.02438	0.8
89.03951	0.3
98.20618	0.9
101.02448	0.4
111.20129	0.3
116.92873	1.2
117.03474	26.4
117.92898	0.4
118.03807	0.9
119.05031	9.0
119.39470	0.4
120.05487	0.4
121.02972	0.5
123.00878	0.6
123.04525	0.9
125.02512	1.6
132.03152	0.3
145.02968	100.0
146.03304	4.5
151.00400	0.5
163.04024	5.6
169.01418	1.2
227.69801	0.4
301.00018	0.4
375.94519	0.4
587.37219	1.3
588.37695	0.6
605.38489	0.9
631.36768	0.5
649.37451	85.3
650.37811	22.2
691.38104	1.1
739.74518	0.4
767.39417	0.4
790.32422	0.4
811.42902	3.0
812.41217	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	809.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47535	32.7
70.12122	100.0
70.12532	70.0
72.85686	31.0
80.76871	34.0
98.19961	50.3
123.38760	38.9
210.46016	37.1
270.72223	42.8
423.12561	34.3
638.88965	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98832	2.9
70.11904	0.9
87.00861	1.6
93.03474	3.4
96.95996	1.8
99.92585	1.3
105.03391	0.9
107.62988	0.9
108.02213	1.4
109.02925	1.1
116.92863	4.7
117.92888	2.4
118.92645	1.1
121.02924	5.7
122.03758	11.3
125.02454	1.9
130.79463	0.8
132.02190	1.5
133.02954	1.5
136.01671	1.5
137.02438	7.6
147.04448	0.9
149.02449	17.4
150.03235	77.4
151.03676	3.0
160.01677	3.5
164.04802	3.4
165.01944	31.9
165.05576	70.8
166.02304	1.4
166.05956	3.7
169.01439	1.3
177.05666	1.2
179.03525	7.0
180.04303	24.3
181.04887	2.7
190.56685	0.9
194.05811	2.8
195.06630	100.0
196.07069	5.7
205.05055	1.1
209.11888	1.0
210.05435	4.3
223.09616	1.2
225.07692	30.8
226.06146	1.1
226.08092	2.9
239.06966	1.6
242.09441	3.5
257.11835	2.4
258.09067	2.0
267.06567	0.9
268.07254	1.3
269.08246	1.9
270.09024	8.1
281.08191	1.4
284.06909	2.6
285.08115	1.8
285.11337	10.3
286.08472	3.0
286.11478	1.5
296.07016	1.1
297.07751	2.1
297.10919	1.0
298.08578	4.7
299.09323	7.1
299.12424	1.4
300.99820	2.5
301.10867	3.1
309.07300	1.1
310.08438	2.4
311.09189	2.9
313.07358	1.0
313.10843	3.7
314.08005	8.2
315.08636	1.2
323.09238	1.7
324.10022	1.5
325.10803	4.9
326.07883	3.7
326.11600	3.7
327.12180	1.3
328.09509	2.0
328.13040	1.1
329.10318	25.2
330.10693	3.9
340.13062	1.6
341.10315	32.7
342.10727	4.9
343.11951	4.1
344.12671	40.5
345.13208	6.3
356.12750	13.8
357.13242	2.5
358.14273	3.2
359.15018	82.9
360.15390	9.2
371.14999	54.8
371.18793	1.2
372.15317	9.0
373.12952	7.9
374.13162	1.0
383.35065	1.0
421.15140	6.2
537.21637	1.4
554.02087	0.9
567.22369	17.2
568.22595	4.2
615.24713	7.2
616.24536	1.6
733.28967	1.2
744.03253	1.0
763.29297	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	809.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
59.01379	25.4
61.98831	3.2
62.00280	1.1
69.03463	3.6
69.89639	5.6
71.01381	8.4
71.05057	1.7
73.02956	1.0
78.95895	1.8
81.03482	1.5
83.01388	2.0
83.05029	1.3
83.17827	1.0
85.02962	2.1
87.00877	1.8
89.02468	3.6
97.02950	1.8
97.06601	5.0
98.20605	1.9
101.02480	5.3
109.06583	1.3
111.08195	1.7
111.64265	1.1
113.02481	2.8
119.03510	1.3
125.02475	5.3
125.09729	2.4
128.89571	1.2
139.04002	2.2
149.09621	1.2
151.04059	1.3
151.11305	4.0
152.99643	1.7
153.05644	2.2
153.09261	1.1
161.04581	1.5
163.11301	1.5
165.12827	5.0
167.10748	4.0
169.12421	1.6
177.12935	1.2
179.10661	2.8
179.14409	3.2
181.12314	4.8
195.13934	11.9
205.12347	9.5
206.12569	1.2
209.11838	17.1
211.13388	2.8
223.13399	100.0
224.13785	8.6
227.12900	4.8
235.08264	3.8
245.19081	6.0
253.07068	1.2
253.09363	8.9
255.23325	1.9
263.20129	7.0
279.19702	1.5
289.06943	1.3
289.18124	12.1
290.18481	1.6
301.00031	1.7
307.19156	39.0
308.19467	4.4
403.24829	2.6
404.25244	2.7
405.25726	1.9
430.34225	1.5
445.20743	7.4
446.21524	1.7
448.12537	1.1
459.22287	9.3
467.85815	1.3
525.27057	1.9
543.28394	7.7
544.28418	2.2
651.33783	3.8
662.05536	1.3
749.41278	2.8
809.43732	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	809.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01381	7.1
60.86538	1.2
61.98832	12.1
71.01388	9.5
71.61383	2.0
75.00883	1.5
79.95734	1.8
80.02668	1.8
80.96513	2.9
83.05040	2.3
85.02960	3.3
87.00886	6.0
88.98806	5.6
89.02453	3.2
92.17073	1.5
95.01376	1.5
95.04974	1.8
97.06579	2.8
101.02447	5.4
107.01358	2.3
107.81438	1.2
113.02453	4.6
116.92870	11.3
117.02001	3.0
119.03523	1.7
123.00890	5.1
124.01716	1.5
124.22976	1.2
125.02484	12.1
145.02980	3.5
145.04991	1.5
151.00348	1.9
161.04576	4.6
163.11375	2.4
165.05618	3.9
165.12872	2.0
169.00244	1.8
169.01443	11.1
171.10289	4.3
209.11838	100.0
210.12219	5.5
211.13358	9.8
221.59093	1.4
227.12929	28.7
228.13240	1.5
229.14494	6.3
235.08269	18.8
236.08609	1.7
253.09302	37.0
253.11823	2.9
254.09680	1.9
291.19638	4.5
309.20697	13.3
310.21216	2.3
327.21777	90.1
328.22092	9.3
386.89001	1.5
445.20782	12.1
446.21533	1.6
463.22580	2.0
545.29321	6.7
546.30402	1.7
563.30585	9.7
564.30621	2.0
755.42474	3.2
773.43927	3.8
791.39636	3.2
809.40656	50.0
810.41351	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	809.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.4
59.01395	0.4
61.98835	2.1
69.46180	1.2
69.46607	2.1
70.49953	0.4
71.01382	0.6
74.99136	0.4
87.00891	0.4
89.02448	0.4
93.03458	5.0
95.01390	0.4
96.96030	1.2
104.11457	0.4
105.03493	0.7
108.02197	0.6
109.02987	1.0
116.92883	1.7
117.01971	0.4
117.68999	0.4
121.02962	6.3
122.03754	16.3
123.00914	1.0
123.04543	0.9
124.01636	1.0
125.02457	2.1
133.02951	1.6
134.03731	0.9
135.04530	0.6
136.01651	4.7
136.28529	0.4
137.02467	3.4
139.00473	0.4
139.03976	0.6
140.01157	0.4
145.02963	0.4
146.03761	0.9
149.02449	23.2
149.06097	1.1
150.03235	100.0
151.00388	2.2
151.04015	9.0
152.04482	0.6
153.01860	0.3
161.02452	0.6
162.03175	0.6
164.04819	4.7
165.01941	2.5
165.05576	96.7
166.02734	4.8
166.05920	5.2
167.03244	0.5
169.01428	2.0
175.03990	0.6
176.07213	0.4
177.02019	0.6
177.05595	1.0
179.03554	0.8
179.07130	4.5
180.04292	7.4
181.05058	6.3
187.03990	0.5
191.03534	0.4
195.06628	72.6
196.06996	4.3
205.04993	1.5
219.06543	0.9
220.07414	0.9
225.07654	1.6
301.00055	0.6
357.09634	0.9
372.12027	0.8
373.12656	1.0
387.10663	0.9
387.14767	4.2
403.14069	0.7
417.15530	7.8
418.16058	1.1
423.25751	0.4
535.18256	0.5
553.19592	0.5
565.20789	11.1
566.21130	2.9
595.21655	1.6
613.22693	3.2
614.23193	0.8
619.21204	0.5
713.25854	1.2
725.24432	0.4
743.27319	1.2
761.27881	0.9
809.41895	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	809.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.8
61.98840	3.9
62.27489	0.4
64.51070	0.5
68.15972	0.6
71.01402	1.3
71.38650	0.9
73.02937	0.6
75.49850	0.5
89.02474	0.6
93.03455	4.2
95.01411	0.7
95.05083	1.0
96.96037	1.2
107.05095	0.5
109.02958	1.8
116.92901	2.0
119.66386	0.5
121.02967	8.1
122.03762	17.3
123.00884	1.0
123.04510	1.8
124.01677	0.8
125.02467	1.8
132.02245	0.9
133.02960	1.9
134.03804	2.8
135.04535	1.1
136.01678	6.5
137.02467	5.5
137.05981	0.6
138.03235	0.6
139.00401	0.8
145.02934	2.6
146.03775	1.9
147.04546	1.0
149.02458	29.7
149.06050	2.9
150.03238	100.0
151.00385	2.4
151.04034	16.6
152.04741	1.2
153.05598	1.1
160.01683	1.0
161.06035	1.2
162.03209	1.8
163.04025	1.1
164.04799	5.7
165.01910	1.6
165.05583	87.7
166.02736	5.6
166.05922	4.5
167.03549	1.5
169.01462	1.4
175.04042	2.5
177.02075	0.5
177.05594	2.7
179.03531	1.3
179.07150	7.4
180.04285	6.0
181.05077	7.6
182.05463	0.7
184.03670	0.7
187.04050	0.7
191.03586	0.8
193.05081	1.0
195.06644	46.4
196.06993	3.0
201.85158	0.5
205.05025	2.6
219.06657	1.9
220.07401	1.9
295.94968	0.5
300.99915	0.6
329.10226	0.8
336.49939	0.6
357.09683	1.1
373.12726	0.7
386.13403	0.6
387.10245	0.9
387.15027	3.1
402.12875	0.7
403.13928	1.3
416.14771	0.8
417.15536	8.3
418.15826	1.1
535.16858	0.6
551.19043	0.6
564.19836	1.6
565.11981	1.0
565.20819	18.7
566.21075	3.9
595.22253	3.1
595.30359	0.7
613.22815	3.7
614.23291	0.9
619.22095	1.7
713.25891	7.8
714.26428	2.8
725.25928	0.7
743.27570	3.0
744.27460	1.1
761.27466	1.6
773.28351	0.7
809.27704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	13.0
68.89130	1.7
69.53410	12.6
71.01405	9.1
73.02913	2.4
78.95922	9.9
78.98551	5.8
79.95743	19.3
80.96522	100.0
81.03435	2.9
85.02942	3.1
87.00858	2.3
94.97540	2.1
94.98080	23.5
97.02872	2.4
101.02448	2.1
106.98126	3.7
122.97543	6.6
125.02403	5.6
134.97514	7.2
148.99052	8.3
152.98524	5.3
152.99641	12.2
154.37943	2.2
164.98640	17.8
171.10251	4.4
180.13812	1.9
181.38841	2.1
197.11771	5.1
206.99634	3.4
211.13371	1.9
225.00732	27.5
225.14766	4.8
231.98065	1.9
247.27180	1.8
253.21509	4.6
277.61636	1.8
283.26254	4.5
343.24594	5.5
523.13904	2.2
571.29047	12.1
807.41449	99.3
808.42310	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02652	3.5
71.01387	4.0
78.95922	20.6
78.98618	5.7
79.95746	36.2
80.96520	56.2
81.03478	7.4
94.98119	8.1
95.25415	3.5
96.40599	3.8
115.22347	3.6
116.92903	5.7
122.97616	4.4
125.02445	12.5
133.18034	4.0
148.99112	4.0
152.99612	11.7
164.98561	10.0
179.89175	4.4
183.49817	3.4
225.00793	14.8
273.18579	4.7
341.24774	8.7
385.23871	100.0
386.24063	12.0
643.33588	3.5
664.34222	4.5
673.10150	4.4
789.40942	14.1
807.42957	36.4
808.42755	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	809.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
61.98831	3.2
67.89075	0.4
71.01399	1.8
73.02966	1.1
75.00885	1.3
85.02956	0.4
87.91124	0.3
88.98820	1.3
89.02483	0.4
93.03457	4.6
95.01397	0.6
95.04988	0.5
96.96043	1.7
99.00877	0.5
101.02448	0.5
103.00368	3.1
107.01418	0.6
109.02972	1.0
111.00934	0.4
113.02457	0.4
116.92848	2.4
117.01966	1.2
117.03489	0.7
118.12490	0.3
119.05019	0.5
121.02959	5.0
122.03759	15.9
123.00898	1.4
123.04513	1.4
124.01652	0.6
125.02458	3.2
133.01418	0.9
133.02951	1.4
133.05043	0.5
134.03729	0.5
134.86569	0.4
134.89496	2.4
135.02998	1.1
135.04543	0.8
136.00746	0.6
136.01666	3.1
137.02480	2.0
137.06111	0.6
139.00427	0.5
139.04062	0.6
145.02962	1.2
146.03761	0.8
149.02452	21.9
149.06009	0.4
150.03230	95.4
151.00404	2.2
151.03712	5.0
152.01216	0.5
152.04793	0.6
153.02054	0.4
162.03195	0.7
163.03979	0.4
164.04810	4.3
164.44615	0.4
165.01978	1.9
165.05574	100.0
166.02757	3.2
166.05898	5.5
167.03439	0.5
168.00722	0.6
169.01404	2.7
171.10306	1.1
175.04022	0.5
175.07689	0.4
177.01988	0.6
177.05544	0.8
178.02692	0.5
179.03461	1.0
179.07114	4.1
180.02867	0.6
180.04297	6.4
181.05067	5.5
193.05096	0.6
194.05684	0.7
195.06627	80.7
196.06956	4.6
201.11327	0.7
205.04977	0.4
209.11900	2.5
219.06720	0.8
219.85004	0.4
220.07578	0.6
225.07661	0.6
227.12961	0.4
247.02541	0.5
300.99979	0.6
357.09790	0.5
372.12082	0.7
373.12836	0.5
387.14554	3.2
388.14874	0.5
390.75864	0.4
399.14368	0.4
402.13168	0.4
403.13803	0.4
417.15472	7.0
418.15720	0.9
434.95428	0.5
565.20892	3.9
566.21100	0.8
595.21753	0.9
596.22412	0.5
613.22955	2.3
614.22894	0.7
647.35748	0.9
657.35083	0.8
761.28864	0.6
809.42285	3.8
810.42163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.9
60.99314	4.7
61.98837	80.0
65.00333	3.3
71.01387	20.7
71.56969	3.4
71.59303	6.2
73.02963	17.6
73.08920	3.2
78.95920	4.6
87.00889	11.3
88.98815	36.3
89.02461	6.9
99.00881	3.8
99.92592	12.4
101.02419	7.7
107.01437	4.0
109.06594	11.0
113.02462	3.7
116.92875	100.0
117.01949	28.0
117.85542	3.8
117.92862	10.3
125.02438	13.1
130.23466	3.7
145.53606	3.6
145.87462	4.3
161.04631	4.5
163.11356	5.6
165.05588	6.1
169.01427	14.2
171.10251	23.3
181.12393	3.9
197.11804	10.9
201.11290	5.4
207.10242	31.4
209.11850	94.9
210.12102	10.7
211.13365	11.0
225.11230	17.6
227.12817	15.7
235.08170	11.4
253.09325	26.3
275.02051	3.9
283.17148	4.1
300.99945	6.1
307.19006	3.8
309.20749	4.5
325.20175	34.5
326.20535	4.4
327.21722	38.4
430.03918	5.9
443.19086	5.9
445.20929	7.7
461.20456	4.9
563.30786	6.7
700.04468	4.2
753.40265	7.0
771.41656	30.3
772.42096	7.9
807.39294	55.3
808.39227	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	807.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.6
60.99305	1.8
61.98839	12.5
67.30940	1.1
68.27327	1.3
71.01392	3.9
71.31625	2.1
72.99319	2.3
73.02961	4.5
79.95746	2.1
80.96523	8.4
83.05048	1.8
87.00906	3.2
88.00434	1.2
88.98824	8.3
89.02468	2.9
95.01407	1.0
96.96036	4.5
99.00862	1.4
99.92606	4.2
101.02453	3.1
114.93466	2.0
116.92882	27.3
117.01938	6.5
117.92908	7.8
118.92707	3.6
119.03542	2.1
119.05067	2.9
123.00845	1.8
123.04546	1.5
125.02468	7.1
135.04604	1.2
143.03362	1.3
152.98697	1.5
163.04030	3.0
163.11313	2.6
165.05615	2.3
169.01456	4.8
171.10345	1.5
191.10867	1.1
197.11819	1.8
201.11249	1.4
207.10233	1.6
209.11847	100.0
210.12219	7.1
211.13460	2.5
225.00839	2.1
227.12936	18.7
228.13164	1.7
229.14474	1.4
235.08266	4.2
253.09244	7.5
300.99960	2.6
307.19284	2.5
325.20221	3.7
327.21866	1.5
329.23331	4.7
397.14023	1.4
427.19608	1.4
445.20776	6.0
582.22638	1.2
637.32306	2.4
771.42096	2.0
789.35870	2.1
807.38800	17.1
808.39178	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	805.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01367	1.7
78.95907	4.9
78.98596	1.8
79.95743	10.3
80.96519	21.1
81.03481	9.3
83.01404	1.9
85.06603	2.5
93.01733	1.6
94.98059	2.9
109.06608	2.6
111.04514	2.5
125.02453	4.0
130.92778	1.5
148.99226	1.7
151.00343	1.7
152.98500	1.7
152.99640	3.2
153.05580	10.1
164.98633	3.3
208.31807	1.8
210.90601	1.7
225.00768	6.6
305.25024	3.4
344.98889	1.7
345.28049	13.6
346.28119	2.2
371.29709	3.6
389.26984	100.0
390.27142	11.1
395.21216	1.8
415.28555	58.0
416.28873	8.0
569.27209	3.6
805.44177	21.9
806.45184	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	807.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.40298	1.4
61.98833	30.5
64.43507	1.3
66.81248	1.4
67.46234	1.4
69.58615	11.8
71.01378	8.3
78.95913	2.4
83.01395	2.1
83.05023	4.6
85.02920	3.1
85.55902	1.5
89.02436	3.8
97.02962	1.9
101.02438	4.8
108.12395	1.4
109.06606	2.3
113.02449	2.0
116.92842	2.9
123.04529	2.2
124.67181	1.6
125.09714	3.9
133.79184	1.5
135.08189	2.6
139.36243	1.7
161.04550	3.2
163.11302	4.7
171.10309	15.9
175.34738	1.7
185.11781	1.6
191.14412	1.7
197.11926	2.8
201.11401	4.6
207.10255	8.5
209.11830	100.0
210.12187	9.1
211.13376	11.6
223.13313	1.8
225.11307	10.6
227.12866	21.6
228.13196	2.5
235.08244	3.3
245.19139	3.0
253.09334	16.4
289.18127	20.3
291.19629	7.1
305.17691	1.7
307.19083	21.4
308.19608	2.5
309.20828	10.1
327.21664	3.5
362.04465	2.1
404.16476	2.0
443.18967	1.8
461.20239	3.0
753.41022	5.6
807.39124	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	805.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01382	12.7
60.99302	0.9
61.02952	0.9
61.98834	19.8
69.03450	1.4
71.01391	13.4
71.61030	1.1
72.99303	1.5
73.02946	2.7
78.95932	2.6
79.85369	0.8
80.02699	1.4
83.01397	0.9
83.05044	4.6
84.02170	1.5
85.02964	5.1
87.00887	2.6
87.04502	0.9
88.98808	3.1
89.02452	6.7
95.05053	1.2
96.95433	1.3
96.96018	13.6
96.96981	2.7
97.02959	1.7
97.06602	2.9
98.95593	3.7
98.96419	1.0
99.00915	1.1
99.92632	1.1
100.94048	0.9
101.02450	7.1
105.01974	0.9
113.02474	3.7
115.00378	1.6
116.92861	7.6
117.01958	1.9
119.03526	1.7
123.00891	1.1
125.02464	4.1
125.09727	1.7
127.11350	1.5
133.01465	4.6
133.05054	1.4
139.03966	1.2
143.03531	1.0
145.02831	1.1
149.06012	0.8
151.00375	1.2
152.04721	0.9
153.12848	0.9
155.10753	1.0
161.04576	3.4
163.11272	2.8
165.12856	1.9
169.01398	2.1
169.12363	1.6
171.10272	15.1
172.10707	1.4
179.05609	1.8
181.12367	1.7
183.13844	1.6
185.11903	1.5
185.91925	0.9
191.10678	1.0
192.02045	0.9
193.12506	0.9
197.11873	9.7
199.13264	2.1
201.11354	4.8
206.96347	0.9
207.10260	2.6
209.11835	100.0
210.12170	7.8
211.13409	10.6
212.13651	1.6
221.11876	1.8
225.11325	2.5
227.12898	17.9
228.13170	1.7
229.14409	6.2
235.08224	7.3
239.12885	1.5
253.09290	20.3
259.15485	2.6
268.07648	1.0
283.09695	1.2
291.19720	3.3
300.03006	1.0
300.99994	1.7
309.20682	7.6
327.21777	50.2
328.22171	6.5
341.23328	3.2
342.23462	0.9
376.67316	0.9
397.13464	2.8
445.20718	3.2
461.20044	1.2
530.91498	0.8
545.29846	2.4
563.30658	2.5
787.37500	1.0
805.36908	3.3
806.37146	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	805.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.8
58.00576	1.6
59.01390	14.8
61.98845	16.9
68.99802	1.6
69.03462	2.6
71.01392	100.0
71.05063	1.4
72.99313	4.2
73.00275	1.2
73.02958	7.0
73.37582	1.2
75.00887	3.8
78.95940	1.7
80.02695	2.3
81.03465	3.6
81.35723	1.2
83.01402	4.1
83.05038	5.7
84.02182	2.0
85.02961	7.7
87.00885	31.2
88.98805	4.0
89.02475	9.0
95.01400	2.7
95.05000	2.1
96.96021	4.9
97.02969	3.9
97.06595	5.1
98.19833	2.7
99.00904	4.5
101.02459	11.7
109.02945	1.7
109.06611	9.8
110.03745	2.8
111.00871	2.2
111.04513	5.2
113.02493	8.3
114.93402	1.3
116.92869	12.1
117.01929	2.2
119.03517	2.2
123.04543	1.5
123.08167	3.5
125.02460	5.0
125.06087	1.8
125.09751	7.5
127.11311	2.9
128.90222	1.5
129.01961	2.3
135.04451	1.3
135.08206	2.3
139.04065	1.3
139.94231	1.2
140.54901	1.4
141.09209	1.1
143.03490	1.1
151.11264	3.5
153.09178	1.8
155.10767	2.2
161.04594	3.8
161.09726	3.5
163.03983	1.5
163.11298	9.9
165.05679	1.2
165.12906	3.0
169.01390	1.8
169.12350	4.7
171.10295	49.5
172.10570	2.4
177.09178	1.6
179.05656	1.5
179.10716	4.8
181.12370	5.1
183.10411	1.2
183.14000	2.4
185.11844	5.7
187.09706	2.5
197.11874	14.1
199.09810	2.1
199.13403	2.8
201.11343	18.4
202.11679	1.4
205.08662	6.1
207.10295	19.4
209.11850	82.0
210.12206	6.9
211.13403	17.1
212.13776	3.5
213.11310	4.3
215.12967	3.6
221.12013	1.3
223.09795	14.4
225.11371	24.5
227.12914	9.6
229.14482	7.3
235.08231	4.6
241.10858	3.1
243.12321	1.9
253.09311	14.5
254.09605	1.7
291.19608	3.4
300.99936	2.8
307.19128	3.8
309.20578	2.9
327.21796	34.6
328.22079	2.6
397.13449	3.4
411.98291	1.5
433.37033	1.3
459.18768	1.6
461.20093	3.4
477.19830	1.6
479.21414	1.4
689.34845	1.6
720.22186	1.7
727.04065	1.4
787.41107	3.8
805.38629	9.9
806.39954	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	805.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
57.35940	1.8
59.01387	23.0
61.98838	37.1
67.39010	1.7
68.25214	1.8
69.03479	4.0
69.74109	12.2
71.01388	98.5
72.01736	3.1
72.99316	3.1
73.02945	5.5
75.00880	2.3
78.95934	2.7
80.19428	1.6
81.03429	3.0
83.01365	4.2
83.05016	3.1
85.02953	8.3
87.00881	7.1
87.86276	1.7
88.98810	3.4
89.02459	18.1
95.01395	2.2
95.05050	2.4
96.96030	4.9
97.02962	5.4
97.06599	2.9
99.00879	3.8
101.02435	13.7
109.06599	7.5
111.04506	2.6
113.02460	11.7
116.92870	13.8
117.02004	2.1
119.03497	5.7
123.08150	2.6
125.02449	7.6
125.09733	11.7
137.09732	2.1
143.03441	2.3
155.10812	2.2
161.04614	4.3
163.11266	4.4
165.12860	2.1
169.08711	2.0
169.12469	2.8
169.41066	1.7
171.10281	57.0
172.10547	4.1
174.75084	2.0
179.05562	2.8
179.10777	2.9
181.12280	2.9
183.13889	8.5
184.14204	4.6
185.11852	4.1
187.09772	9.2
193.12267	3.6
197.11871	9.0
199.13397	3.2
201.11281	10.7
207.10292	9.8
209.11855	21.5
211.13402	100.0
212.11839	3.8
212.13734	51.5
213.13924	17.5
219.87079	1.8
223.09807	4.8
223.13382	21.2
224.13664	2.6
224.95341	1.9
225.11360	13.9
225.14970	2.1
227.12958	4.4
229.14555	2.6
235.08363	10.4
236.08444	2.3
245.19197	2.5
253.09273	20.6
289.18048	18.2
291.19666	5.5
307.19141	10.4
309.20691	8.3
327.21811	22.1
328.22168	3.6
343.24933	3.1
379.12457	2.9
380.12207	2.1
397.13544	13.1
398.13846	10.2
399.14270	11.2
415.14413	3.5
416.15063	3.2
423.18384	2.4
459.22287	8.5
536.56189	2.1
545.29486	4.8
563.30853	4.0
593.27142	2.9
610.28284	2.4
611.28064	4.6
769.43964	9.3
770.40155	2.4
787.39679	4.4
788.07678	2.2
805.41083	17.1
806.40649	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	805.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
60.66948	0.6
61.98821	0.9
63.96239	0.6
67.01884	1.1
69.51263	4.8
71.01379	0.8
71.62138	0.5
76.91640	0.6
79.95737	1.2
82.22445	0.6
84.74244	0.6
88.98823	0.8
95.05042	0.8
96.96014	28.5
97.89927	0.6
109.02977	3.4
111.00929	0.7
119.04944	0.6
122.03675	0.8
123.00866	2.4
125.02447	2.0
135.04549	1.8
136.01642	1.1
137.02449	26.0
138.02859	1.1
139.00288	0.7
140.12683	0.7
141.17807	0.6
145.02951	1.3
149.02477	1.1
150.03220	2.0
151.00378	10.7
151.03999	4.1
152.01042	0.9
152.04767	2.1
153.01965	1.0
153.05606	1.0
155.82512	0.8
159.04565	1.0
162.03258	0.6
163.03990	1.7
164.01144	2.6
165.01932	100.0
165.05533	3.5
166.02713	30.3
167.03458	3.2
170.78833	0.7
175.04024	1.8
177.01924	3.1
178.02660	1.3
179.03502	23.3
179.07080	0.9
180.04285	61.6
181.05063	37.4
182.05379	2.3
184.03746	1.4
187.04039	2.3
190.06393	0.8
192.04305	1.5
193.05048	2.0
194.05847	4.0
195.03017	3.2
195.06624	76.9
196.06969	5.5
203.03473	0.8
205.05003	5.7
207.06625	1.9
209.08228	0.8
210.05318	12.6
211.05873	0.8
219.06656	0.7
220.07452	3.8
221.08101	1.0
225.07680	70.0
226.08005	4.4
267.09290	1.3
274.00732	0.6
275.01971	0.9
279.08725	0.7
282.98901	0.7
287.09634	0.7
291.09119	18.8
292.09491	1.3
300.99915	2.3
310.04871	0.6
340.01639	0.6
359.11288	1.3
387.10046	5.3
387.15118	6.9
402.13293	2.9
403.13779	2.4
416.14990	3.1
417.15564	47.9
418.15747	5.7
463.12283	0.7
465.47183	0.8
466.33020	0.7
565.19543	1.5
580.19489	0.8
595.21851	46.3
596.22064	8.3
613.23169	1.7
619.87195	0.7
643.13782	1.2
643.24036	22.1
644.24341	5.1
656.65857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
61.98839	100.0
62.98568	1.6
63.99241	7.0
70.34687	6.5
71.01382	13.5
73.02955	2.8
78.95906	5.6
79.95741	4.1
80.96530	22.0
83.01408	2.6
83.05016	3.7
85.02959	2.5
87.00866	2.6
89.02444	3.3
89.51566	1.5
94.98102	3.0
97.02954	4.6
97.06600	2.2
99.00848	2.4
101.02461	6.3
109.06597	15.8
113.02480	4.2
116.92876	1.6
125.02440	3.5
125.09723	5.9
131.67146	1.8
134.97652	2.0
135.07993	1.7
140.62465	1.5
151.11263	3.1
152.98537	2.3
161.04518	2.0
163.11319	9.3
164.98639	2.5
171.10263	6.5
181.12379	4.1
189.09190	2.0
191.14371	2.0
197.11797	8.0
205.08694	4.7
207.10280	45.9
208.10545	2.8
209.11864	18.9
211.13397	6.3
212.13815	2.1
223.09662	9.3
225.00694	7.0
225.11327	28.2
227.12907	3.0
235.08206	3.1
245.19124	3.6
253.09329	12.4
261.11331	1.6
263.20291	2.7
289.18130	15.7
291.19714	6.7
307.19244	17.3
308.19382	1.9
309.20685	15.1
459.19202	2.4
461.20135	9.8
550.75391	2.3
635.30768	1.8
751.39148	7.5
752.39111	3.6
769.40186	4.8
805.39941	26.2
806.39795	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	805.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02794	0.4
57.03443	1.2
58.00585	1.1
59.01382	17.7
61.98834	5.1
69.03445	1.3
70.42049	0.3
71.01388	14.0
72.99293	1.1
73.02951	2.1
75.00864	0.4
78.95922	0.4
80.02668	1.2
81.03445	1.8
83.01405	2.0
83.05032	4.8
84.02168	1.2
85.02964	3.1
87.00895	3.7
89.02452	13.8
95.01398	1.4
95.05006	1.0
96.95998	1.9
97.02940	2.0
97.06616	0.5
99.00888	0.5
99.04512	0.4
101.02455	11.0
113.02450	6.1
116.92869	0.7
119.03522	3.6
123.00893	0.5
125.02457	5.6
125.06086	0.6
125.09721	0.9
131.03505	0.8
131.91533	0.4
135.08151	0.6
139.04042	0.6
143.03522	2.9
151.00363	0.8
153.09192	0.6
153.12857	1.2
161.04568	2.6
163.11307	3.4
165.05515	0.5
165.12889	2.3
169.01466	0.7
169.12361	6.0
171.10295	1.4
179.05647	3.9
179.10814	0.8
181.03154	0.4
181.12381	0.9
185.11969	0.5
191.10788	1.1
197.11850	72.5
198.12192	4.5
201.11308	2.3
209.11848	100.0
210.12198	6.5
211.13420	0.5
217.07137	0.5
221.06639	1.0
223.13545	0.8
227.12900	14.8
228.13266	0.6
229.64883	0.5
235.08138	3.8
235.13487	0.7
251.71069	0.4
253.09312	1.1
263.07678	0.6
269.64178	0.4
287.07892	1.2
305.08731	1.9
323.09814	0.9
343.21042	0.5
379.12421	5.1
397.13516	35.5
398.14011	3.5
415.14548	9.5
415.19739	0.7
416.14941	0.7
577.25366	1.2
595.26416	1.5
607.26099	1.1
769.36969	0.8
787.37848	0.7
805.42383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
60.66948	0.6
61.98821	0.9
63.96239	0.6
67.01884	1.1
69.51263	4.8
71.01379	0.8
71.62138	0.5
76.91640	0.6
79.95737	1.2
82.22445	0.6
84.74244	0.6
88.98823	0.8
95.05042	0.8
96.96014	28.5
97.89927	0.6
109.02977	3.4
111.00929	0.7
119.04944	0.6
122.03675	0.8
123.00866	2.4
125.02447	2.0
135.04549	1.8
136.01642	1.1
137.02449	26.0
138.02859	1.1
139.00288	0.7
140.12683	0.7
141.17807	0.6
145.02951	1.3
149.02477	1.1
150.03220	2.0
151.00378	10.7
151.03999	4.1
152.01042	0.9
152.04767	2.1
153.01965	1.0
153.05606	1.0
155.82512	0.8
159.04565	1.0
162.03258	0.6
163.03990	1.7
164.01144	2.6
165.01932	100.0
165.05533	3.5
166.02713	30.3
167.03458	3.2
170.78833	0.7
175.04024	1.8
177.01924	3.1
178.02660	1.3
179.03502	23.3
179.07080	0.9
180.04285	61.6
181.05063	37.4
182.05379	2.3
184.03746	1.4
187.04039	2.3
190.06393	0.8
192.04305	1.5
193.05048	2.0
194.05847	4.0
195.03017	3.2
195.06624	76.9
196.06969	5.5
203.03473	0.8
205.05003	5.7
207.06625	1.9
209.08228	0.8
210.05318	12.6
211.05873	0.8
219.06656	0.7
220.07452	3.8
221.08101	1.0
225.07680	70.0
226.08005	4.4
267.09290	1.3
274.00732	0.6
275.01971	0.9
279.08725	0.7
282.98901	0.7
287.09634	0.7
291.09119	18.8
292.09491	1.3
300.99915	2.3
310.04871	0.6
340.01639	0.6
359.11288	1.3
387.10046	5.3
387.15118	6.9
402.13293	2.9
403.13779	2.4
416.14990	3.1
417.15564	47.9
418.15747	5.7
463.12283	0.7
465.47183	0.8
466.33020	0.7
565.19543	1.5
580.19489	0.8
595.21851	46.3
596.22064	8.3
613.23169	1.7
619.87195	0.7
643.13782	1.2
643.24036	22.1
644.24341	5.1
656.65857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74117	1.1
57.03454	1.8
58.00610	2.2
59.01387	14.4
61.02978	1.1
61.98827	10.8
69.03461	2.8
71.01394	25.2
72.99302	2.5
73.02939	6.0
75.00866	1.1
78.95920	2.9
79.95742	1.8
80.02689	2.5
81.03474	3.4
83.01397	5.2
83.05045	6.2
84.02185	2.4
85.02982	4.9
87.00893	4.4
89.02460	8.4
93.03413	1.1
95.01413	2.5
95.05047	3.1
96.96017	13.1
96.96983	4.1
97.02974	3.9
97.06602	11.5
99.00855	2.2
101.02449	10.9
109.00650	1.3
109.02978	1.6
109.06613	7.2
111.00932	1.6
111.08213	1.3
113.02465	5.7
113.94493	1.5
116.92872	2.3
119.03474	2.4
125.02459	3.2
125.09725	9.4
127.11319	3.6
133.01436	2.8
135.08118	2.7
137.09747	1.7
139.07648	1.2
143.03575	2.1
149.09746	1.6
151.00357	1.0
151.11324	1.2
155.10844	1.8
161.04556	4.1
161.09634	1.3
163.11279	10.7
165.12849	3.1
171.10287	63.3
172.10663	3.1
179.05681	2.2
181.12357	4.1
183.13904	2.6
185.11853	3.5
191.10812	3.9
193.12357	9.4
197.11865	3.6
199.13475	1.5
201.11359	24.0
207.10260	18.9
209.11847	65.7
210.12184	3.9
211.13408	27.6
212.13664	2.6
215.12863	2.6
221.11815	1.6
225.11375	36.8
225.14900	15.8
226.11893	4.6
226.15288	1.7
227.12827	6.1
235.08369	6.7
239.13039	1.7
241.14474	27.0
242.14774	1.3
243.12346	2.6
243.15977	5.7
253.09309	28.3
253.14601	1.4
254.09666	1.6
295.10278	1.8
321.20697	3.4
323.22263	1.8
341.23364	100.0
342.23633	12.5
352.86490	1.4
357.26361	3.2
391.02618	1.7
397.13556	7.8
407.18729	1.3
415.14511	1.4
461.20459	6.5
495.33392	2.7
525.34412	2.2
577.32440	1.3
686.35901	1.5
785.42865	4.2
803.43518	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	803.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55811	2.0
57.03444	5.5
57.19460	2.0
59.01377	12.2
61.98838	32.3
64.09998	1.8
64.95468	1.8
69.92227	1.8
71.01388	32.7
71.37609	3.0
73.02948	3.8
78.98563	1.8
79.94010	1.9
79.95744	14.6
80.96072	2.3
80.96523	29.9
81.03445	4.0
83.05021	8.4
85.02939	4.2
87.00881	5.0
89.02460	6.0
94.98088	7.6
95.01408	2.6
96.96021	7.9
96.96944	3.6
97.02955	5.1
97.06581	3.8
101.02441	7.2
104.40558	2.2
109.06577	6.9
111.08182	2.9
113.02445	4.0
116.92828	3.1
116.96100	1.9
123.04513	2.2
125.09686	5.8
134.97574	2.9
143.77475	2.0
148.99055	2.1
155.10841	1.9
161.04599	2.4
163.11288	14.0
164.98584	4.4
165.12820	3.9
169.12378	2.2
171.10283	26.6
176.22539	2.2
181.12323	6.6
185.11861	4.9
197.11848	10.7
201.11366	9.3
207.10287	21.3
209.11833	100.0
210.12157	8.5
211.13425	11.5
225.00716	10.5
225.11391	27.7
227.12950	11.9
235.08253	4.1
243.12303	2.7
245.19040	6.1
253.09355	18.1
263.19809	2.7
289.18146	17.2
291.19724	14.4
307.19104	13.3
308.19513	2.7
309.20752	31.0
310.21088	4.1
338.27295	2.3
448.13345	1.9
461.20236	5.0
632.27832	2.1
753.40497	3.0
771.41760	5.5
803.38831	34.2
804.38843	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	803.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01385	7.9
59.37270	0.9
66.08892	1.0
68.25743	0.9
71.01389	4.8
71.05002	1.2
71.59475	0.9
71.59925	1.0
72.78635	1.0
72.99332	0.9
75.00872	1.2
85.02939	1.8
89.02444	5.3
93.22750	0.9
96.96037	2.8
99.04517	3.6
101.02446	5.0
107.01423	2.4
109.02930	1.8
112.26537	1.1
113.02479	2.9
117.05584	9.1
119.03548	3.1
120.99664	1.4
121.02975	4.0
123.00879	3.1
123.04537	1.8
125.02465	16.9
127.12436	1.0
129.54820	0.9
137.02444	2.4
138.56468	1.0
139.00377	1.9
140.01184	1.5
141.09349	0.9
149.02278	1.1
151.00415	2.6
151.04001	2.0
161.02463	2.1
165.01962	1.3
168.00667	4.2
169.01456	26.2
170.01793	1.4
175.04010	1.1
177.01909	1.0
211.02502	19.9
229.01385	1.5
241.40135	0.9
245.00748	1.1
248.03394	1.0
249.04097	2.7
250.46611	0.9
257.21585	1.0
271.04602	39.5
272.04987	3.0
275.02036	3.8
279.10846	21.7
280.10977	1.7
289.07220	4.4
291.01328	1.1
300.78299	1.0
300.99875	10.3
302.00299	1.2
303.00476	1.0
304.14056	1.1
313.05615	6.1
331.06857	3.6
371.09763	5.9
387.09198	1.6
417.14026	2.3
431.11935	100.0
432.12265	13.5
457.02167	8.3
457.52975	5.5
524.89185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	4.2
64.57311	3.3
69.91294	15.2
80.96529	10.6
82.96110	5.6
97.02897	4.0
124.01693	5.1
125.02487	22.4
127.04076	5.9
139.04007	12.8
152.01117	3.8
153.05620	8.8
153.77977	3.6
167.03551	3.6
179.03488	5.9
225.00648	7.2
339.23270	9.1
371.25711	4.4
383.22311	100.0
384.22675	16.0
419.28195	4.4
431.27988	38.2
432.28275	7.8
785.40277	4.1
803.42871	32.9
804.43231	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	803.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	14.2
71.01340	5.3
71.60748	6.8
74.41969	4.9
79.95736	7.3
80.96521	40.6
85.02947	4.9
95.05038	9.0
97.02963	7.7
112.07731	5.2
113.06152	11.8
125.02453	23.3
139.04024	15.9
141.01924	5.7
141.05589	10.6
153.05652	4.9
155.54089	5.9
166.06355	6.4
186.60043	5.3
225.00609	6.3
305.24908	5.2
383.22186	72.5
383.26276	5.9
385.23846	6.3
443.28143	100.0
444.28281	15.4
479.43463	5.4
656.56451	5.5
698.25031	6.6
803.42896	51.7
804.43927	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	803.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00589	1.5
59.01380	16.8
61.98524	1.2
61.98836	19.2
64.69984	0.9
69.03465	3.5
69.09799	0.7
69.50197	1.3
69.50611	4.7
71.01386	40.3
72.01714	1.2
72.99296	1.3
73.02959	6.0
75.00846	0.9
75.52061	0.7
77.65090	0.8
77.67995	0.7
78.95896	1.6
79.95731	0.9
80.02688	2.5
80.96514	1.5
81.03466	3.5
83.01382	5.2
83.05039	7.4
84.02149	3.7
85.02940	6.3
87.00893	5.4
88.98840	1.1
89.02452	8.4
95.01381	2.0
95.05013	2.5
96.96023	6.0
96.96954	2.6
97.02963	4.5
97.06607	9.1
99.00883	2.7
101.02448	13.1
109.02953	0.9
109.06605	7.4
111.00877	1.8
111.04520	1.3
111.08167	1.4
113.02478	5.9
116.92838	1.2
119.03500	3.5
121.06636	1.1
123.08121	0.9
125.02434	2.8
125.06106	0.9
125.09761	7.2
127.11287	3.5
129.01932	1.0
131.03523	0.9
133.05112	0.9
135.08179	2.1
137.09732	1.3
139.07625	1.3
143.03493	1.9
145.05087	1.9
148.98853	1.1
149.09711	0.9
151.11229	1.6
155.10835	0.9
161.04604	5.4
161.09726	1.0
163.11295	12.2
165.09149	1.5
165.12819	3.2
167.10660	1.0
169.01373	1.2
171.10278	64.7
172.10597	2.7
175.11255	0.8
179.05606	2.6
179.10800	1.2
181.12303	2.3
183.13881	2.7
185.11830	3.5
189.09178	2.0
191.10808	4.4
193.12340	12.4
194.12672	1.1
197.11856	5.2
198.12239	2.3
199.09805	0.9
199.13434	1.5
201.11330	19.4
202.11601	0.9
207.10278	20.9
208.10555	1.2
209.11835	64.5
210.12198	4.5
211.13399	43.6
212.13742	1.9
213.11220	0.9
215.12926	2.1
221.11780	1.7
223.13345	3.5
225.11339	44.2
225.14839	15.4
226.11835	4.9
226.15219	1.3
227.12979	7.5
235.08191	11.2
239.12840	1.8
241.14456	27.2
242.14735	2.3
243.12334	2.9
243.15961	7.0
253.09283	24.2
253.14618	1.3
254.09596	1.9
289.18051	1.3
291.19516	2.0
295.10294	1.5
321.20804	4.0
323.22247	1.3
325.20178	0.9
341.23328	100.0
342.23694	12.5
379.12393	1.5
397.13565	10.2
407.19153	1.8
415.14563	1.7
443.18976	1.7
445.37445	0.9
461.20242	8.0
495.33331	1.7
577.32404	3.0
591.26648	1.0
609.27179	1.1
618.28247	1.0
785.43890	4.6
786.43506	1.8
803.42639	4.2
804.42419	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	802.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98532	0.3
65.59590	0.1
70.24066	0.3
71.01389	0.3
79.95739	0.1
80.96550	0.3
91.11981	0.1
94.98154	0.1
103.04729	0.1
117.09913	0.1
156.98048	0.1
171.10451	0.1
186.28554	0.1
188.37210	0.1
209.12013	0.1
225.76674	0.1
803.37665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98833	100.0
71.01386	0.5
71.60258	0.1
71.60670	0.2
78.95921	0.5
80.96526	0.6
85.02954	0.1
125.02460	0.3
159.85620	0.1
170.54239	0.1
171.10323	0.2
190.25784	0.1
197.11871	0.2
199.12422	0.1
207.10252	0.1
209.11838	0.2
211.13412	0.5
212.13754	0.2
225.11314	0.2
273.16998	0.1
291.19608	0.2
293.21332	0.5
294.21579	0.2
295.22961	0.1
301.00116	0.2
329.23492	0.2
424.64053	0.1
474.39758	0.1
645.68097	0.1
666.24048	0.1
802.49225	0.4
803.39429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
61.98836	63.9
63.96241	1.8
69.03469	1.5
69.42626	1.2
69.43034	6.0
71.01390	10.2
73.02917	2.3
78.95908	2.8
78.98602	7.5
79.95744	18.3
80.96523	95.6
81.03437	1.2
83.01382	1.6
83.05005	1.1
85.02975	4.1
85.73403	0.8
87.00867	3.7
88.98784	0.9
93.03448	0.9
94.98092	22.1
95.01408	1.3
96.96019	5.3
97.02923	1.8
97.15389	0.8
101.02431	3.8
106.98108	4.5
107.01402	1.3
109.02874	1.0
113.02528	1.1
114.92983	0.8
119.05008	1.5
122.97578	2.7
125.02466	6.3
127.03974	1.0
134.97607	5.9
136.99120	2.2
148.99165	7.3
151.00381	3.5
151.04007	2.4
152.98604	7.2
152.99614	1.2
158.79033	0.8
163.11320	1.3
164.98627	17.7
165.01884	1.9
167.00058	0.9
169.01434	1.3
195.06709	1.0
206.99667	2.9
209.11850	12.5
210.12143	4.4
224.98628	1.8
225.00737	27.0
226.00995	1.4
227.66577	0.8
241.01228	1.5
241.14366	1.1
242.14745	1.1
257.08377	1.0
271.06155	8.1
272.06369	1.4
372.84818	0.9
389.71344	1.0
509.16977	1.4
541.19574	4.3
639.36884	1.2
659.34503	1.3
677.34753	2.4
722.33795	1.1
741.04138	1.0
801.35840	100.0
802.36279	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01383	3.3
61.98832	100.0
63.99279	1.1
67.01901	0.7
68.99568	0.7
69.03461	1.4
69.45625	5.2
71.01373	5.2
72.99298	0.7
73.02966	1.5
75.88419	0.6
78.95928	0.8
79.01894	0.7
83.01407	1.2
83.05056	1.1
85.02937	3.2
87.00893	1.6
88.98808	0.7
89.02453	1.6
94.98106	0.7
95.01421	1.0
96.96009	7.7
96.96976	1.4
97.02979	1.2
99.00899	0.7
101.02457	2.4
102.05643	1.1
107.01393	7.2
112.98529	0.8
113.02461	4.4
123.00887	7.0
123.04522	0.8
125.02450	53.2
126.02805	2.3
127.00409	1.0
128.03557	2.4
128.90179	2.8
136.98871	0.8
137.06046	0.9
139.00430	3.2
139.11284	1.5
140.01161	1.8
141.01968	1.2
146.04613	1.1
151.00383	8.2
163.04233	0.7
165.05565	3.1
168.00665	2.6
169.01433	73.5
170.01765	2.5
171.10268	1.0
179.03511	1.6
179.05695	0.7
181.05022	0.8
183.13980	0.6
207.10201	0.7
209.11815	10.7
210.12167	0.9
211.13400	8.1
212.13852	0.8
223.02502	1.4
225.04076	1.4
225.11244	0.9
248.64508	0.6
253.03748	0.8
256.03568	0.7
296.50601	0.7
299.99338	0.8
300.99747	1.7
301.03238	0.8
313.05649	44.2
314.05960	3.4
379.12399	0.9
397.13522	2.9
487.34274	3.3
518.68427	0.6
539.52460	0.7
639.37439	2.2
770.09058	0.9
801.40759	53.4
802.41168	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81549	0.1
61.98833	100.0
62.98545	0.2
62.99257	0.1
69.79549	0.5
70.46204	0.1
71.01381	0.1
78.95951	0.1
80.96534	0.4
101.02478	0.1
125.02444	0.2
197.11897	0.3
209.11914	0.3
211.13464	0.3
225.00766	0.1
253.09372	0.2
291.19772	0.2
293.21082	0.2
310.21381	0.2
591.63477	0.1
789.63135	0.1
800.48450	0.2
801.38190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98833	100.0
62.98508	0.1
69.53046	1.0
71.01392	0.3
75.00882	0.1
78.95969	0.2
80.72474	0.1
80.75718	0.1
80.96500	0.2
85.02998	0.1
98.20571	0.3
109.80415	0.1
111.08177	0.2
113.09718	0.2
124.61782	0.1
125.02478	0.3
192.65973	0.1
197.11909	0.5
207.10321	0.3
209.11862	1.5
210.12282	0.5
211.13405	1.2
212.13821	0.4
225.69427	0.1
227.12865	0.2
239.12941	0.2
253.09515	0.4
285.80258	0.1
293.21225	1.0
294.21606	0.5
301.00095	0.2
309.20810	0.4
398.96213	0.1
800.45959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98835	100.0
62.98556	0.2
69.55121	0.7
70.06377	0.1
71.01391	0.7
78.95914	0.3
81.62482	0.1
83.01418	0.1
85.02962	0.1
88.98821	0.3
89.02457	0.4
96.96024	0.6
96.96992	0.2
97.02972	0.2
97.91766	0.1
98.20606	0.2
101.02474	0.4
109.06573	0.1
113.02501	0.2
125.02431	0.2
137.02457	0.1
137.06126	0.4
140.01228	0.1
161.04579	0.1
163.11340	0.2
165.05562	2.3
169.01437	0.1
171.10309	0.4
197.11812	0.2
207.10283	0.2
209.11821	1.7
211.13403	1.2
223.09843	0.2
225.11354	0.1
227.12927	0.1
235.08351	0.1
253.09157	0.2
299.99396	0.1
300.99905	0.2
305.17685	0.1
327.22134	0.1
397.13593	0.4
639.37482	1.2
783.38068	0.2
789.21503	0.1
800.38611	0.4
801.43079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98836	100.0
62.98552	0.3
80.96520	0.1
96.96005	0.2
99.01913	0.1
125.02477	0.1
139.35086	0.1
165.05629	0.1
186.28728	0.1
192.88400	0.1
205.61823	0.1
240.69482	0.1
329.54672	0.1
800.39722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
60.69699	0.1
61.98833	100.0
62.98540	0.2
65.75832	0.1
67.14928	0.1
71.01393	0.8
75.00877	0.4
80.96503	0.3
85.02998	0.1
87.00900	0.1
96.36207	0.1
97.87604	0.1
98.20723	0.2
101.02461	0.2
107.93047	0.1
109.06604	0.2
109.44930	0.1
113.02462	0.1
117.37747	0.1
125.02470	0.1
155.10687	0.1
171.10356	0.3
197.11816	0.1
207.10185	0.2
209.11876	0.6
210.12164	0.2
211.13402	0.3
225.11447	0.2
291.19644	0.2
309.20770	0.2
337.24405	0.1
449.79282	0.1
698.68311	0.1
769.40961	0.1
782.20782	0.1
801.37860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.1
59.01384	0.6
59.75138	0.1
61.98836	100.0
62.98533	0.2
65.33155	0.1
71.01398	0.5
71.60817	0.1
75.00869	0.1
78.95931	0.2
80.96525	0.1
83.01405	0.1
85.03006	0.2
87.00894	0.2
88.98843	0.2
89.02448	0.2
93.03465	0.1
94.98105	0.2
96.96026	1.3
96.96954	0.3
97.03001	0.2
101.02489	0.3
113.02479	0.2
116.92904	0.1
119.03522	0.1
123.00909	0.2
123.04591	0.1
125.02441	0.5
126.90439	0.2
128.03566	0.2
128.90222	0.2
137.06104	0.1
153.05664	0.1
165.05566	0.9
169.01489	0.5
171.10295	0.2
197.11734	0.1
209.11864	1.2
210.80637	0.1
211.13397	0.9
218.99496	0.1
225.11514	0.2
275.01846	0.1
300.02682	0.1
300.99963	0.3
301.03665	0.1
361.72430	0.1
397.13651	0.6
446.69464	0.1
492.02933	0.1
639.37854	0.3
724.44470	0.1
782.37946	0.1
800.39978	0.4
801.42126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98836	100.0
62.98536	0.1
69.03466	0.1
71.01403	0.5
72.99344	0.1
73.02961	0.1
75.19327	0.1
78.92471	0.1
78.95928	0.3
79.95748	0.2
85.02960	0.2
88.98840	0.2
89.02457	0.2
91.76576	0.1
94.98108	0.1
95.01382	0.1
96.96028	0.9
96.96986	0.3
101.02452	0.2
103.30499	0.1
110.95110	0.1
113.02402	0.2
116.92879	0.1
125.02426	0.5
126.90440	0.3
128.03552	0.2
128.90198	0.2
137.06100	0.1
141.71793	0.1
165.05597	1.0
169.01402	0.5
206.76563	0.1
207.10152	0.1
209.11844	1.2
211.13431	0.9
275.01660	0.1
276.93015	0.1
300.99942	0.3
313.05667	0.2
327.21729	0.1
343.46155	0.1
389.37027	0.1
397.13675	0.3
510.33636	0.1
639.37769	0.3
685.32135	0.1
800.39502	0.3
801.42419	0.2
812.55383	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.0
61.98835	80.7
71.01382	4.9
71.61245	0.9
71.61640	1.4
78.95917	2.3
80.96535	3.3
83.01421	1.1
83.05027	1.9
85.02959	2.1
87.00898	1.1
89.02445	2.4
89.03860	1.0
97.02956	1.2
101.02460	3.6
111.08163	7.3
111.77401	0.9
113.02451	2.6
116.09877	0.9
125.02471	2.9
126.88515	1.2
139.03993	1.3
139.11292	1.0
147.88199	0.9
161.04662	1.5
163.11137	1.0
169.12372	3.6
171.10268	1.9
181.06065	1.0
183.13893	4.3
197.11835	36.5
198.12152	2.7
199.13388	1.3
209.11830	8.1
211.13409	100.0
212.13763	7.1
227.13068	1.2
235.08212	3.5
253.09319	13.7
254.09596	1.0
260.99765	1.0
263.20193	2.3
291.19714	15.3
292.20120	2.0
293.21207	7.4
294.94775	1.0
309.20712	40.8
310.21082	4.1
311.06171	1.0
316.34360	1.1
399.21899	1.6
443.69638	0.9
447.22400	5.6
448.23035	1.3
503.34128	1.3
527.28156	1.1
545.29913	2.1
799.46802	1.3
800.47760	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	799.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.3
61.98835	50.8
68.10015	2.2
68.59400	2.4
71.01368	6.7
71.60577	3.7
78.95916	2.6
80.96529	3.5
83.05017	3.8
85.02955	3.2
89.02481	3.1
96.96037	3.7
101.02425	3.7
101.16770	2.5
109.06557	3.1
109.46919	2.3
113.02449	4.7
125.02465	5.1
125.09785	2.7
128.28052	3.3
128.73691	2.4
153.05528	2.7
163.11273	6.1
171.10283	11.2
185.11815	3.1
189.34854	2.7
197.11906	2.7
199.13460	2.8
209.11832	100.0
210.12143	6.0
211.13387	28.1
223.13377	7.7
227.12889	11.9
235.08322	6.5
239.12933	7.4
253.09291	17.3
275.20163	7.5
291.19772	12.7
293.21237	38.6
294.21643	5.4
294.56314	2.7
309.20706	3.6
341.23480	7.0
376.44882	3.0
413.72015	2.8
445.20862	4.0
453.33212	3.0
463.35654	2.6
510.22165	3.2
565.76910	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	798.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98835	100.0
62.98540	0.2
69.27769	1.0
71.01392	0.1
72.99326	0.1
73.69678	0.1
80.96542	0.1
85.03023	0.1
88.98814	0.7
96.96031	0.2
99.36182	0.1
101.02455	0.1
108.13754	0.1
125.02473	0.2
128.57521	0.1
137.02437	0.1
165.05560	0.2
168.38449	0.1
209.11891	0.3
213.05597	0.1
331.55457	0.1
637.35950	0.1
694.61548	0.1
781.36847	0.3
798.40656	0.2
799.38416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40823	0.2
69.54703	1.5
79.95709	1.8
96.96016	98.2
97.95939	0.5
98.20589	0.4
106.82018	0.2
123.56147	0.2
146.63472	0.2
160.02962	0.2
181.12349	0.3
261.08014	100.0
262.05621	0.4
262.08350	6.6
300.99850	0.6
398.28281	0.2
442.00735	0.2
471.18079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4208
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01390	1.9
61.98825	4.0
63.96244	2.1
66.52238	1.0
69.03452	1.8
69.35197	8.8
71.01386	8.7
71.11771	1.0
73.02956	1.5
78.95910	57.0
78.98605	5.5
79.95741	17.1
80.96522	75.0
83.05030	2.3
85.02946	3.6
87.00902	1.3
94.98096	17.6
96.96017	1.3
96.96975	11.0
97.02972	1.8
98.20689	2.0
101.02450	2.1
106.98086	3.9
114.75655	1.0
122.97594	3.1
125.02444	3.9
125.09703	1.6
127.03931	1.0
127.11278	2.9
134.97617	6.8
134.98547	1.6
136.99091	1.6
148.99165	7.0
152.98590	5.6
152.99612	10.0
154.21654	1.0
155.10857	1.6
163.11269	1.7
164.98657	14.6
171.10304	2.7
194.70140	0.9
199.09750	1.5
201.11333	38.4
202.11658	1.6
206.99715	2.8
209.11853	30.8
210.12178	1.2
223.00229	2.4
225.00749	21.2
227.12929	2.6
241.01218	24.4
245.14088	1.5
247.93414	1.1
255.23320	24.3
256.23672	3.3
259.02103	2.2
266.87173	1.0
317.23386	1.0
391.22589	1.3
525.16364	1.7
537.27454	1.7
582.63348	1.2
709.38416	34.9
710.38678	7.0
781.40662	20.7
782.41278	4.5
799.42267	100.0
800.42560	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
63.96262	1.5
69.03455	0.9
69.80749	0.6
69.87419	1.7
69.87825	2.4
71.01390	9.8
73.02950	2.1
78.98597	7.9
79.95744	17.9
80.96526	98.5
85.02975	3.7
87.00884	3.0
94.98100	21.4
95.01366	0.7
96.96023	1.9
97.02959	2.4
99.00883	0.9
101.02447	3.3
106.98077	3.6
122.97594	3.6
125.02469	4.7
127.03994	1.1
133.17194	0.6
134.97583	6.7
135.98405	0.7
136.99155	2.1
148.99155	6.1
152.98631	8.1
164.98642	13.6
165.99001	0.9
206.99638	2.5
209.11887	2.1
224.98628	1.5
225.00761	23.3
226.01196	1.0
255.23289	2.2
342.23300	0.6
541.19464	2.2
712.36066	0.7
765.41315	0.9
786.19916	0.8
797.43689	100.0
798.44000	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.8
61.04662	1.8
61.98838	40.2
71.01377	6.0
71.60925	2.4
78.95882	1.9
79.31367	1.6
80.43410	1.7
80.96519	2.1
83.05035	2.6
85.02961	2.1
89.02446	5.7
97.02961	5.2
100.42722	1.7
101.02452	7.5
106.18353	1.7
109.06599	23.1
125.02444	4.6
128.37895	1.8
135.08171	2.6
138.43777	1.7
149.69977	1.6
161.04468	2.6
163.11299	13.6
171.10242	1.8
181.12308	2.4
189.09212	2.5
195.13934	10.1
197.11864	2.2
198.76837	2.0
207.10275	70.9
208.10577	5.5
209.11884	13.5
210.12283	1.9
223.13428	8.1
225.11322	23.1
235.08191	4.4
253.09279	21.0
254.09738	2.2
262.97073	1.9
275.20166	6.0
291.19720	11.7
293.21240	100.0
294.21555	11.0
309.20285	3.2
311.88467	1.7
443.19199	1.9
461.19873	3.9
529.30017	3.9
530.64697	1.9
719.40515	3.0
724.42084	2.8
737.41107	32.0
738.41925	9.0
797.42535	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	795.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44610	0.3
60.37697	0.3
69.79775	0.9
69.80166	0.6
78.16229	0.3
87.38820	0.3
96.96017	0.9
125.02434	0.8
129.03464	0.6
145.02928	0.9
147.04514	0.6
157.02928	0.5
161.02449	0.4
163.03972	0.4
173.02420	1.0
185.02449	2.2
201.01955	2.0
229.01437	3.7
245.00876	1.5
257.00882	1.8
273.00363	0.7
283.99683	2.5
289.07401	0.5
299.99057	2.4
300.99899	100.0
302.00226	8.0
307.08536	0.5
347.11777	1.1
391.76218	0.3
405.67496	0.4
498.80835	0.3
616.02954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49927	0.3
60.99312	18.1
61.98832	0.9
71.01395	0.4
73.02955	0.3
77.52473	0.2
78.10648	0.2
87.00890	0.8
88.00402	0.9
88.98816	100.0
89.02441	2.5
89.99161	1.3
94.10693	0.2
96.96030	0.4
97.27214	0.2
107.01392	0.3
116.44559	0.2
123.00907	1.1
125.02485	1.3
139.00356	0.3
151.00352	0.5
169.01419	1.2
209.11844	1.4
255.37144	0.2
330.39096	0.3
494.05731	0.3
584.50592	0.3
743.98505	0.3
795.38184	3.4
796.38513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00738	1.1
61.95933	1.1
67.30214	1.3
71.01392	4.0
86.79613	1.1
93.71496	1.3
95.01373	3.2
96.96027	2.5
97.02900	1.6
107.01392	11.3
109.02977	2.4
111.00862	1.7
123.00896	11.0
123.04559	1.3
124.01624	2.5
125.02460	71.5
126.02780	2.9
137.02460	2.9
139.00397	4.0
139.04024	1.5
140.01186	2.8
145.02954	1.2
147.04536	1.2
151.00363	6.8
157.58466	1.1
161.02431	2.1
165.01949	1.9
166.99869	5.1
167.03542	3.9
168.00656	13.8
169.01443	100.0
170.01790	3.6
173.02391	1.7
177.01974	2.2
181.01407	2.4
189.01997	2.1
191.03508	1.5
193.01405	1.8
193.05190	1.6
194.99345	6.2
210.01672	1.4
211.02492	41.1
212.02840	2.5
212.64946	1.3
219.02859	1.3
229.01318	1.9
241.03522	6.9
249.03947	2.4
257.00986	1.4
260.80118	1.1
271.04562	33.5
272.05035	1.9
275.02011	2.5
286.66599	1.2
287.07813	2.6
300.99921	14.4
313.05667	27.3
314.05698	2.0
331.06708	13.6
332.07181	1.7
339.03824	1.4
373.07767	10.9
403.08810	3.9
433.09909	14.4
439.08704	2.7
465.06708	14.3
475.04202	1.3
475.11029	4.5
483.07874	22.0
484.07892	3.2
493.11475	1.9
555.09985	3.7
585.10938	16.3
586.11481	3.8
627.11981	13.5
645.13153	41.5
646.13464	5.7
797.13971	25.3
797.28394	1.9
798.13837	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	793.4422
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01370	0.8
60.43142	0.5
62.65638	0.4
63.96241	1.8
64.67109	0.4
69.03465	1.0
71.01391	9.3
73.02952	1.9
78.98603	7.6
79.95274	0.7
79.95745	15.7
80.96526	94.6
81.03472	0.7
83.01418	0.6
84.07668	0.4
85.02967	3.1
87.00901	3.7
94.98098	21.5
96.96033	1.2
97.02964	2.2
98.20623	1.4
99.00858	1.0
101.02467	2.9
106.98088	4.4
122.97604	4.1
125.02477	2.9
127.03995	0.7
134.97606	5.5
136.99159	1.7
148.99164	7.1
150.97037	0.5
151.56627	0.5
152.98653	7.0
164.98634	14.6
206.99745	3.4
209.11777	1.2
214.37285	0.5
225.00761	22.0
226.01030	0.5
283.26462	1.0
332.34204	0.6
351.04468	0.5
410.76218	0.6
509.16971	2.1
565.30994	1.0
658.78687	0.6
793.44177	100.0
794.44495	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	793.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36999	0.6
59.01398	1.3
61.98827	0.8
63.96233	2.1
67.50407	0.7
69.03458	1.2
71.01387	9.0
73.02950	1.8
78.98602	7.2
79.95738	18.7
79.96188	1.1
80.96521	96.7
81.03452	1.5
83.01357	1.0
85.02953	3.4
87.00890	3.8
90.59407	0.8
94.98091	21.2
96.96010	2.5
97.02935	2.7
97.69296	0.6
98.39595	0.6
99.00861	0.7
101.02436	3.3
101.29916	0.6
106.98093	4.0
117.49947	0.7
122.97598	4.5
125.02453	4.6
127.03997	0.8
134.97597	7.7
136.99147	2.3
148.99165	7.5
152.98645	8.0
164.98633	19.3
206.99680	3.6
209.11853	1.8
210.34348	0.7
225.00751	26.9
283.04984	1.3
283.26468	2.1
325.80508	0.8
415.44659	0.9
509.16690	3.2
565.30627	1.3
793.44110	100.0
794.44379	32.6
811.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62328	0.7
58.30663	0.7
60.18778	0.7
63.96241	1.9
69.03457	0.9
71.01385	9.0
71.60540	0.6
73.02946	2.1
78.98605	6.7
79.95742	17.0
80.47904	0.7
80.96523	87.6
81.03450	1.3
82.96084	1.2
85.02975	3.6
87.00890	4.3
89.11174	0.8
94.98096	20.3
96.96001	1.1
97.02938	2.2
98.20643	1.8
101.02455	2.7
106.98074	2.8
122.97575	5.4
125.02460	4.5
127.04001	0.9
134.97581	7.1
136.99141	2.6
148.99146	8.9
149.35007	0.8
152.98637	7.8
164.98628	15.2
165.98950	1.1
181.59872	0.7
181.98969	0.7
206.99680	3.6
209.11810	1.0
225.00758	28.7
226.00987	1.1
283.26367	1.6
285.32260	0.7
509.17352	3.8
565.30463	1.1
582.12793	0.8
617.55420	0.8
793.44147	100.0
794.44513	27.9
794.59503	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	793.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48702	1.7
62.54417	1.6
63.96226	2.9
69.63459	11.8
71.01369	6.4
72.64098	1.5
78.95907	88.5
78.98594	4.3
79.95748	10.6
80.96521	51.8
82.96091	1.8
85.02974	2.5
87.00879	2.5
94.98087	12.0
96.96958	5.7
98.20592	4.0
99.08157	5.7
99.92603	2.3
115.92073	7.0
116.92868	3.1
122.97601	1.9
127.11285	3.4
134.97578	2.8
139.11273	4.4
141.75723	1.8
148.99107	3.7
152.99611	78.4
164.98616	7.7
171.00618	5.9
171.10269	17.0
176.33427	1.8
179.89188	5.4
180.47626	2.2
183.13867	6.8
187.27859	1.8
193.12390	2.2
193.82173	1.8
196.89487	7.0
197.11801	2.3
206.99765	1.9
209.11852	2.2
211.13400	33.4
212.13782	3.1
225.00746	13.7
227.03291	6.8
229.14426	23.2
230.14752	1.7
241.01259	2.7
253.21686	14.7
254.22133	2.1
255.23225	7.6
258.62619	1.8
311.22238	2.4
329.23337	49.1
330.23529	4.8
422.73090	1.9
465.22729	9.6
539.26117	7.1
557.27338	71.4
558.27722	9.4
604.44757	1.8
757.30304	2.6
793.49512	100.0
794.49982	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07457	0.8
57.03451	2.1
59.01382	18.8
61.98836	15.1
69.03468	1.5
69.48389	0.9
71.01394	8.5
71.60819	0.8
71.61187	1.3
73.02949	4.4
78.95899	1.0
79.95724	0.8
80.02685	1.9
80.50757	0.9
81.03445	0.9
83.01396	1.4
83.05033	5.6
85.02955	7.0
87.00883	2.0
88.98830	1.8
89.02455	5.2
95.01385	0.8
95.05001	1.0
96.96014	6.7
96.96989	1.1
97.02953	1.6
97.06596	2.7
99.92588	2.0
101.02451	6.9
109.02939	1.1
109.06577	1.3
113.02473	4.8
116.92869	14.1
117.01956	4.2
117.92859	1.8
119.03526	1.2
121.02877	0.8
123.04547	1.2
125.02460	3.8
125.09698	3.0
127.11284	3.2
137.02394	1.9
137.09738	1.5
139.00331	1.3
139.11292	0.9
141.01749	7.1
142.05087	1.1
143.03523	1.4
145.02985	1.1
150.03279	1.0
151.00369	1.0
155.10765	2.6
161.04556	3.1
161.06192	0.9
163.03981	1.3
163.11284	4.2
164.04861	0.8
165.01956	5.9
165.05493	1.4
165.09219	1.4
165.12891	4.2
166.02634	1.8
167.14528	1.1
169.01419	2.0
171.10272	16.2
172.10590	1.5
175.04001	1.2
179.03450	1.2
180.04247	2.4
181.05043	1.3
181.12289	1.0
183.10223	1.5
183.13892	2.3
185.11862	1.2
191.10722	1.4
193.05072	1.0
193.12280	1.3
195.06570	4.2
197.11749	1.1
199.09644	1.8
199.13451	1.3
201.11337	62.1
202.11656	4.6
209.11842	100.0
210.12201	10.4
211.11661	1.2
211.13461	12.5
221.11813	1.9
225.07715	4.2
227.12930	13.2
228.13110	1.2
229.14436	10.2
235.08226	13.2
239.12952	1.1
241.72263	0.9
243.46907	1.1
253.09296	34.4
254.09642	2.4
262.83014	0.8
263.12863	0.9
273.17078	10.7
275.02026	1.2
291.19620	4.9
300.99945	2.1
309.20700	8.6
323.08429	0.9
327.21783	74.5
328.22137	9.5
344.21597	1.4
397.13300	1.1
403.17538	1.0
437.20532	4.3
438.20776	1.2
445.20911	4.6
446.21320	1.1
466.02786	2.3
466.52908	1.4
511.32611	2.7
545.29840	4.7
563.30847	6.6
581.24005	3.9
747.41364	1.4
755.43011	1.3
791.37543	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	791.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.8
59.01371	11.9
61.05893	3.0
61.98825	17.9
70.35178	4.2
70.35524	10.6
70.89937	3.0
71.01395	26.3
73.02934	4.2
78.95897	13.3
80.96517	8.8
85.02941	11.0
87.00873	7.9
89.02452	2.9
97.02944	7.4
99.00912	3.2
100.02543	3.0
101.02441	11.0
109.06590	33.7
111.08186	5.3
113.02443	7.8
119.84313	2.9
123.04572	3.2
125.02432	7.7
129.36411	3.4
135.08139	4.3
143.65862	3.2
152.99579	6.6
161.04492	7.8
163.11269	13.0
171.10265	13.4
179.10675	3.6
181.12315	6.1
195.13916	7.9
199.09877	4.1
201.11382	3.8
207.10262	100.0
208.10568	7.1
209.11836	71.7
210.12173	7.2
211.13219	7.2
223.13361	6.2
225.00768	3.3
225.11334	48.6
227.12894	16.9
235.08145	10.6
253.09293	35.1
275.20178	7.3
279.11459	3.3
291.16592	5.9
291.19666	93.2
292.19925	9.2
293.21246	83.9
294.21512	6.5
351.65295	3.6
417.22629	17.2
418.22778	4.1
443.19321	4.4
461.20316	22.7
618.68158	3.6
705.31940	4.6
737.41101	18.9
738.41602	9.4
791.39655	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	791.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24472	0.1
59.01376	0.6
61.66100	0.1
61.98829	0.7
66.21730	0.1
67.84035	0.1
71.01389	0.6
71.05011	0.1
71.61781	0.2
72.99322	0.1
73.02953	15.3
74.03295	0.2
75.00880	0.2
79.16437	0.1
85.02971	0.3
88.48477	0.2
89.02442	0.3
90.93367	0.1
96.96011	0.3
98.97723	0.1
99.00896	2.4
99.92588	10.6
100.92597	0.6
101.02473	0.3
113.02454	0.3
114.93410	0.6
116.03538	0.2
116.92870	100.0
117.01946	25.3
117.05591	0.3
117.92878	5.8
118.02291	0.4
119.03466	0.1
125.02438	0.5
137.02446	0.2
169.01384	0.4
171.10252	0.6
201.11365	1.2
207.10199	0.2
209.11790	2.5
210.12093	0.2
211.13469	0.4
225.11414	0.3
226.74330	0.2
227.12959	0.4
235.08342	0.2
253.09322	0.5
300.99942	0.2
301.03110	0.2
313.05844	0.2
327.21802	1.7
369.45987	0.2
421.12634	0.2
563.30365	0.2
613.48547	0.2
791.38080	0.2
816.38922	0.1
819.99323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
61.59506	1.5
61.98825	2.0
62.96404	1.9
63.96221	1.6
64.67161	1.3
71.01394	8.4
78.95909	100.0
78.98589	6.4
79.95741	16.3
80.96522	86.2
81.03441	1.6
83.05025	2.0
85.02954	3.6
87.00860	2.6
90.20444	1.3
93.26097	1.5
94.98095	19.2
96.96951	4.5
97.03001	2.5
98.19885	2.9
99.92608	11.9
101.02480	2.7
106.87786	1.3
106.98039	3.4
109.06593	3.2
115.92080	22.6
116.92082	2.9
116.92846	19.4
122.97581	4.7
125.02491	8.4
134.97580	6.8
136.99097	2.3
139.04004	2.9
148.99165	8.0
150.98015	3.9
152.98587	4.3
152.99626	30.8
153.05594	4.0
155.95197	1.7
163.89749	3.4
164.98640	13.6
171.00641	2.7
172.95454	2.0
178.88402	5.0
179.89217	33.8
180.90070	16.4
181.90858	2.5
195.00636	4.0
196.89503	33.6
206.99670	1.8
207.10310	2.7
209.11905	8.5
225.00751	23.0
225.11040	1.5
235.91740	3.4
236.92595	5.8
237.93314	3.3
327.21719	2.5
386.99252	2.5
428.03290	5.5
429.03870	1.9
519.07861	7.1
555.25696	4.6
729.91614	1.8
743.29333	2.3
755.28741	18.6
756.28741	5.9
773.29651	1.8
791.30255	27.6
791.42877	93.9
792.30695	11.6
792.43286	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
67.08955	0.1
69.03445	0.1
71.01390	0.1
71.05027	0.7
79.95725	2.4
84.65067	0.1
85.18789	0.1
95.95215	0.9
96.96014	100.0
97.95943	0.3
98.19927	0.4
98.95596	2.1
98.96428	0.4
107.08680	0.5
107.39290	0.1
109.17953	0.1
110.75544	0.1
112.68340	0.1
116.37335	0.1
116.92882	0.2
125.02385	0.2
135.04498	0.3
167.14401	0.4
169.01436	0.3
177.02010	0.2
179.03418	0.1
181.04955	0.1
195.06627	0.1
211.13397	2.9
212.13805	0.2
247.10104	1.8
248.10437	0.2
267.16208	0.1
273.08066	0.7
291.09085	77.6
292.09415	7.0
292.12753	0.3
293.08826	1.9
298.87958	0.1
300.99945	0.3
799.97998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39828	1.2
57.03460	1.8
58.00611	2.1
59.01384	18.5
61.98838	18.1
63.46869	1.4
69.03469	1.8
69.23694	1.3
69.56227	1.2
70.70311	1.4
70.70630	2.3
70.73434	1.1
71.01389	74.1
72.01711	2.3
72.99296	3.1
73.02953	6.2
75.00871	1.8
78.62563	1.1
78.95904	2.7
80.02675	1.8
81.03462	4.0
83.01389	2.1
83.05027	8.2
84.40993	1.5
85.02957	3.4
87.00889	5.1
89.02451	8.7
90.50139	1.4
95.01344	1.7
95.05022	2.0
96.96024	8.6
97.02963	2.9
97.06604	2.9
99.00907	2.5
99.08183	1.7
99.92586	2.2
101.02446	11.7
109.06620	6.9
109.14045	1.4
111.08153	6.7
113.02447	6.9
114.93419	4.7
116.92871	13.6
117.01963	3.0
123.04512	2.3
125.02487	3.2
125.09728	7.0
127.11277	3.7
135.08202	2.7
137.09737	2.8
143.03311	1.4
145.05087	1.8
151.11272	2.3
155.10812	2.5
161.04596	4.4
163.11279	8.2
165.12843	4.4
169.12363	5.6
171.10281	78.3
172.10619	5.4
172.88608	1.3
181.12357	3.8
185.11871	3.9
191.10779	2.4
191.14471	1.6
193.12395	5.2
197.11835	33.8
198.12137	2.1
199.09796	8.7
199.13474	3.4
201.11351	44.5
202.11607	1.7
207.10280	14.6
208.10663	1.8
209.11839	100.0
210.12186	8.0
211.13423	12.1
212.13637	1.5
221.11826	1.7
225.11395	18.7
225.14923	4.1
226.11647	1.4
227.12878	14.7
234.21068	1.4
235.08305	9.5
243.12376	1.8
245.19038	5.0
246.03496	1.5
253.09299	36.7
263.20245	3.8
289.18118	12.0
291.19635	14.6
292.19894	2.1
307.19290	8.3
308.19382	1.7
309.20715	38.9
310.20984	5.3
327.21646	3.1
343.24896	24.3
344.25235	2.2
461.20227	2.7
753.41064	2.0
771.41504	2.4
789.43188	8.9
790.42200	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	791.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
58.00581	0.7
59.01388	4.4
67.01901	0.5
67.67357	0.4
68.99819	0.9
69.66323	2.1
69.66736	1.0
71.01391	7.7
72.99313	1.3
73.02948	1.3
75.00881	7.4
83.01387	0.9
85.02953	9.6
85.03452	0.7
87.00858	3.9
89.02448	2.4
91.03986	0.4
95.01382	2.0
96.96003	0.5
98.19876	0.9
99.00872	3.8
101.02446	1.0
103.00386	1.1
106.04216	1.2
107.01392	1.0
107.05042	4.2
108.02187	0.6
111.00856	0.6
113.01687	0.8
113.02453	12.5
115.00481	0.8
116.67252	0.4
117.01950	1.2
121.02941	1.3
123.00894	3.0
123.04514	2.1
125.02457	4.5
129.01945	1.0
133.02962	3.1
139.00359	1.1
140.01138	0.6
151.00372	1.8
151.04022	8.7
157.01364	0.5
168.00600	0.5
169.01485	4.5
175.02466	0.8
179.03247	0.4
205.07114	0.7
211.02547	0.8
231.05080	1.4
238.34685	0.5
249.04060	0.5
249.06165	13.2
250.06450	0.5
267.07220	21.1
268.07547	1.3
271.04562	0.6
275.01666	0.6
280.27505	0.5
300.99936	1.6
361.57843	0.5
383.09561	0.7
389.10895	14.2
390.11353	1.1
401.10889	100.0
402.11234	11.8
459.70920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03445	1.0
58.00596	0.8
59.01378	10.9
61.98833	3.4
67.01871	0.8
69.03465	1.6
69.53950	5.0
69.92213	0.8
71.01382	34.5
71.05004	0.8
72.05328	0.8
73.02946	5.2
74.62891	0.7
80.02679	1.8
81.03467	3.0
83.01391	1.5
83.05029	8.0
84.02155	1.1
85.02957	6.8
87.00888	2.5
89.02453	7.7
95.01366	1.6
95.05035	3.3
96.96016	2.1
97.02942	3.0
97.06590	3.7
98.03107	0.8
99.00871	1.6
99.04559	0.9
101.02451	8.9
109.06586	5.3
110.03720	1.1
111.04508	0.9
111.08221	0.8
113.02467	3.9
116.92862	1.3
119.03476	1.7
125.06045	1.3
125.09720	2.9
127.11295	2.3
133.05005	0.9
135.08174	1.8
137.09737	1.1
139.07689	0.9
143.03539	1.5
149.09738	1.1
151.11327	0.9
155.10802	2.5
161.04579	3.3
163.11304	12.8
165.12843	3.9
170.61768	0.9
171.10271	58.1
172.10637	3.0
177.12869	1.4
179.05737	1.1
179.10738	1.3
181.12369	4.0
183.13908	3.0
185.11882	3.9
189.09236	2.2
191.10843	1.5
193.12321	1.1
197.11772	4.0
199.13356	1.1
201.11328	17.4
202.11720	1.3
207.10274	16.9
209.11832	100.0
210.12178	7.3
211.13406	15.7
212.13651	1.4
215.12848	1.1
221.11787	2.0
225.11336	35.3
226.11739	2.2
227.12877	11.2
229.14458	12.9
232.97940	1.0
235.08214	10.0
239.12891	2.1
243.12320	2.7
253.09300	26.2
254.09677	1.4
291.19684	5.4
295.10117	1.1
307.19113	2.4
309.20651	8.5
310.21115	1.2
312.83838	0.9
327.21756	80.8
328.22101	9.1
407.19272	1.5
461.20386	7.9
545.29590	1.3
563.30682	1.5
595.52612	1.0
771.41577	3.3
789.42798	3.8
790.43036	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	789.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
61.98838	75.2
63.96225	1.5
64.76395	0.9
69.03445	1.4
69.70068	6.5
71.01382	8.3
73.02959	2.4
74.68990	1.1
78.95913	1.7
78.98605	7.5
79.95744	15.1
80.96526	95.1
81.03465	2.0
85.02951	3.7
87.00876	2.8
94.98103	22.2
95.01394	1.1
96.96008	1.6
97.02950	2.2
97.62028	0.9
101.02442	3.2
106.98085	3.4
122.97538	3.3
125.02459	9.9
127.04047	1.5
132.02722	1.0
134.97591	4.4
136.99115	3.4
148.99158	7.2
152.98624	8.1
164.98648	15.4
206.99634	3.6
209.11752	1.8
224.98647	1.5
225.00749	24.6
226.00905	1.3
237.29022	1.0
276.80524	1.3
476.36337	1.0
509.17126	2.3
561.27161	2.5
789.41113	100.0
790.41406	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	787.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02737	5.5
61.98839	23.8
62.31370	4.7
71.05033	10.9
71.60915	5.8
71.61502	8.4
73.02473	4.6
78.95908	31.8
80.96510	7.0
91.83591	5.3
95.05019	5.6
109.06622	6.2
124.01648	6.0
125.02494	9.9
139.04028	36.8
151.04027	5.5
152.99565	28.3
153.05609	16.8
163.11266	6.7
177.66264	4.8
190.86613	5.3
193.33310	5.3
207.10321	13.6
232.05411	5.3
355.26398	14.4
387.25409	85.4
388.25711	10.2
399.25378	100.0
400.25623	13.0
409.95428	6.1
420.73355	5.4
519.24365	7.2
537.24762	6.2
540.43854	5.7
551.22656	12.8
689.37061	10.3
743.43896	6.6
787.44281	43.3
788.42987	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	788.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98838	100.0
62.98541	0.3
71.01389	1.4
71.61092	0.2
78.95938	0.2
80.96522	0.2
89.02462	0.2
97.06571	0.2
121.02972	0.8
122.03387	0.2
124.37282	0.2
125.02445	0.2
152.43895	0.2
171.10262	0.8
197.11873	0.6
198.12242	0.2
207.10303	0.3
209.04697	0.2
209.11870	0.5
210.04977	0.4
211.13394	0.4
225.11440	0.5
227.13101	0.3
253.09311	0.4
291.19843	0.5
327.21957	0.6
789.38232	0.2
810.45117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.2
61.98835	100.0
65.56236	0.2
71.01386	1.5
71.60018	0.3
71.60361	0.2
72.31733	0.2
78.95940	0.3
83.05032	0.2
109.06578	0.3
113.02489	0.2
116.38112	0.2
121.02972	1.0
125.02479	0.4
139.06093	0.2
171.10301	0.8
183.13994	0.3
197.11923	0.6
198.12248	0.3
201.11371	0.3
207.10361	0.5
209.04543	0.3
209.11928	1.1
211.13515	0.6
225.11430	0.7
227.12639	0.2
253.09377	0.4
291.19873	0.4
309.20532	0.3
327.21927	0.8
399.37067	0.2
516.61487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.9
60.43976	1.8
61.98837	61.1
71.01381	24.9
80.96498	3.8
81.01986	2.1
83.05029	5.3
85.02956	4.3
89.02442	2.8
97.02956	2.6
97.06604	2.8
97.33310	1.9
101.02437	4.5
107.34025	2.0
109.06554	2.9
139.80412	1.8
163.11255	5.3
165.12862	3.2
171.10306	12.9
181.12323	3.6
183.65112	1.9
185.11864	2.8
195.67941	1.8
197.04417	2.3
201.11276	2.2
207.10297	10.6
209.11842	100.0
210.12180	7.1
211.13356	4.2
225.11337	11.2
227.12915	22.6
229.14337	3.0
235.08211	7.0
253.09311	11.8
289.18115	4.0
291.19644	3.0
307.19165	22.9
308.19415	2.6
309.20581	2.9
327.21722	17.8
328.22021	3.8
445.20636	6.7
543.27649	3.0
735.40161	3.8
753.40063	4.9
789.37604	14.2
790.36694	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88421	81.6
78.95900	21.7
80.96520	45.6
85.02940	29.0
94.48838	14.9
125.02477	71.1
139.04013	42.9
142.66888	14.7
152.99588	23.4
153.05534	28.6
158.83978	15.5
213.70576	13.5
273.45789	16.7
281.24802	21.9
341.24326	15.3
383.22540	17.2
401.22653	76.2
401.27298	50.4
560.19257	23.6
587.25348	15.6
773.57025	18.3
780.43854	16.8
787.41315	100.0
788.42181	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
61.98833	13.9
69.65156	11.0
71.05055	1.9
73.09887	1.6
79.01889	1.5
80.96528	2.1
81.03469	2.9
84.74705	1.5
85.06595	4.4
89.95643	1.4
97.06580	2.1
99.04504	1.6
109.06588	3.7
109.21313	1.5
111.04522	4.9
120.56390	1.7
125.02431	6.7
152.01198	2.1
153.05582	22.5
209.64041	1.6
311.20154	4.1
315.23264	4.2
355.19138	43.5
356.19547	8.2
406.21637	1.6
429.26657	3.7
430.26788	9.1
431.27951	100.0
432.28375	14.9
475.69321	1.4
787.40338	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	787.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36287	5.6
57.03426	5.4
59.01387	5.6
61.56963	6.0
71.01371	8.6
71.24349	5.7
71.24702	8.1
78.95909	14.8
79.95746	20.5
80.96532	100.0
81.42338	5.4
85.02950	8.2
94.30637	5.7
94.98091	23.4
125.02446	26.5
127.04092	7.8
139.03946	7.2
152.99631	11.2
153.05544	7.8
164.98653	20.5
225.00748	13.0
401.23114	32.7
556.31665	6.3
778.40985	7.9
787.39355	87.6
788.40961	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
59.01368	1.4
61.98837	6.7
69.48682	1.5
69.49088	4.5
71.05026	3.2
80.96529	1.5
81.03476	1.3
82.96136	0.9
83.01417	1.3
83.05026	3.6
83.05489	0.8
85.02958	2.3
85.06593	0.8
97.02975	1.0
97.06584	1.3
99.04518	7.1
107.05007	0.9
109.02948	2.6
109.10993	0.9
111.04524	1.4
113.02430	1.7
115.34492	0.9
123.04464	1.1
125.02425	2.1
125.06123	1.4
127.04029	13.3
151.03978	3.0
152.04819	2.3
153.05597	4.2
167.03494	2.6
169.05058	2.5
180.95204	0.9
183.68369	0.8
201.25459	0.8
207.06624	0.9
219.49281	0.9
246.27795	0.9
301.18372	0.8
301.21594	3.8
313.21771	1.5
328.79230	0.8
343.26196	1.4
357.20779	8.5
367.26416	1.3
368.23227	0.9
369.24442	5.7
370.25082	3.2
373.23819	3.4
383.25748	2.5
385.27435	3.8
387.25366	2.1
411.25467	3.8
429.26465	100.0
430.26794	15.6
460.82062	0.9
628.09698	0.8
763.81610	0.8
787.40082	4.9
788.40875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03445	0.5
59.01382	6.1
61.98832	8.6
68.99854	0.5
69.03458	1.3
69.43293	1.3
69.43720	1.2
71.01385	5.9
72.99323	0.7
73.02952	1.4
75.60671	0.3
78.95912	1.5
79.95733	0.4
80.02684	1.3
81.03461	1.2
83.01395	1.0
83.05036	4.8
84.02161	1.6
85.02957	2.6
87.00874	2.1
89.02458	3.6
93.03468	0.5
95.05042	1.4
96.96021	5.4
96.96975	1.7
97.02965	1.1
97.06594	5.2
97.34556	0.3
98.18804	0.3
99.00905	0.6
99.04533	0.6
99.92564	0.3
101.02451	4.3
109.06602	1.4
110.03716	0.3
111.00907	0.4
111.04523	0.9
112.98605	0.4
113.02451	2.4
116.92899	3.3
117.92916	0.3
119.03503	1.0
123.08185	0.4
125.02465	0.8
125.06099	0.9
125.09708	1.4
127.11292	0.5
128.90167	0.4
135.08168	1.1
137.09723	1.0
143.03552	0.6
145.05069	0.6
151.11264	0.8
153.09232	0.4
156.14835	0.3
161.04593	1.9
161.09752	0.4
163.11298	4.4
165.12854	2.0
169.12285	0.4
171.10283	14.8
172.10585	1.0
173.72366	0.3
175.11230	0.4
177.09241	0.5
177.12874	0.4
179.05688	0.7
179.10794	0.9
181.12372	0.7
183.13995	0.5
184.23537	0.3
185.11876	0.9
191.10794	1.0
193.12363	6.4
195.10248	0.4
197.11890	1.6
201.11307	2.0
201.59622	0.3
203.11122	0.4
205.08702	1.1
207.10266	0.9
209.11839	100.0
210.12192	7.0
211.13429	2.8
213.11382	0.9
221.11884	1.0
223.09779	2.9
225.11526	1.8
225.14963	8.8
226.15341	0.5
227.10664	0.7
227.12897	10.5
228.13264	0.8
229.14482	0.4
235.08255	6.4
241.10806	0.5
243.15976	3.5
244.16360	0.4
253.09294	16.7
254.09695	0.6
273.18680	0.4
291.19708	1.3
300.02859	0.4
300.99832	0.5
309.20749	1.1
323.22275	1.2
325.20172	1.3
327.21796	6.1
328.22232	0.8
341.23331	58.6
342.23660	6.1
400.27112	0.5
441.17752	0.5
445.20975	1.9
454.79486	0.4
459.18854	0.7
463.22342	0.4
533.34979	1.9
534.35309	0.5
545.30304	0.4
551.36322	0.7
563.29987	0.4
577.32623	1.6
759.41016	0.3
769.40399	1.1
787.41547	2.4
788.40576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.1
59.01390	5.9
61.51357	1.2
61.98840	5.1
68.49124	1.0
70.18956	1.1
71.01390	9.4
81.03464	1.7
83.01389	1.2
83.05032	4.5
85.02971	2.2
85.89610	1.1
86.48514	1.1
87.00884	2.1
89.02474	3.5
98.20616	3.6
99.00902	1.6
101.02457	3.7
109.06606	1.9
111.08157	5.2
113.02479	2.1
119.03538	1.5
125.02483	1.1
125.09682	1.9
146.33582	1.1
161.04573	2.1
163.11288	4.2
165.12866	2.5
169.12379	3.6
171.10255	4.4
179.05608	1.4
181.12267	1.7
186.68428	1.2
197.11850	27.8
198.12155	3.1
199.13383	2.4
209.11853	100.0
210.12108	7.0
210.32535	1.2
211.13393	5.6
213.11119	1.1
223.09709	1.7
225.11333	3.1
227.12915	14.8
228.13170	1.4
235.08353	5.9
253.09296	17.2
259.15527	3.7
263.20123	2.1
265.17758	1.4
291.19638	12.0
300.99860	1.3
309.20749	43.2
310.21164	3.3
327.21811	2.0
371.57593	1.2
507.26974	1.1
545.30298	1.9
584.14941	1.0
787.40796	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	787.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01387	6.1
61.98822	4.1
69.03441	1.1
71.01389	15.3
71.60593	0.8
72.99288	1.0
73.02920	1.7
77.91054	0.8
79.12385	0.8
81.03448	1.7
83.05041	5.1
85.02937	1.7
87.00880	3.1
88.98785	1.3
89.02443	4.2
95.05044	1.3
98.20387	1.1
101.02470	5.5
109.06580	1.6
111.08182	5.2
113.02427	2.6
116.92837	3.0
125.09708	2.8
131.03535	1.4
161.04524	1.8
163.11266	6.1
165.12782	2.6
169.12297	3.4
171.10239	9.7
179.10739	1.2
181.12296	2.5
185.11868	1.8
191.10750	1.1
197.11841	37.7
198.12215	2.6
199.09720	1.0
199.13405	3.6
201.11317	3.6
207.10239	2.9
209.11835	100.0
210.12152	8.5
211.13358	6.6
225.11314	3.8
227.12920	13.3
235.08244	5.9
249.14966	1.2
253.09285	17.6
259.15485	1.4
263.20151	1.4
289.18091	4.2
291.19675	10.9
307.19064	2.8
309.20737	40.0
310.20996	4.0
369.16815	1.0
397.13760	1.4
445.21121	1.5
545.29358	1.3
710.68243	1.1
769.38629	1.2
787.42468	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	787.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03440	0.8
59.01385	4.5
61.98841	5.6
68.99840	0.7
69.03453	1.2
69.28445	3.5
71.01380	6.0
71.05017	0.3
72.99315	1.0
73.02956	1.3
75.78542	0.4
78.95910	4.2
79.95744	0.8
80.02691	1.1
81.03452	1.7
83.01393	1.1
83.05032	5.2
84.02168	1.8
85.02955	2.1
87.00883	2.1
89.02448	4.2
93.03457	0.9
94.98040	0.3
95.05041	0.8
96.96017	17.9
96.96949	4.6
97.02957	1.1
97.06598	5.0
99.00864	0.5
99.04533	0.6
101.02448	4.2
103.04047	0.4
109.06599	1.1
109.92793	0.3
110.03725	0.4
111.00761	0.3
111.04527	1.4
111.08184	0.8
112.98556	0.8
113.02449	2.6
116.92868	1.0
119.03520	1.0
123.04419	0.4
123.08154	0.7
125.02462	0.6
125.06085	0.9
125.09744	1.8
127.11269	0.7
128.90173	1.1
133.05128	0.5
135.08165	1.0
137.02420	0.9
137.09715	0.6
143.03551	0.6
145.05104	0.6
147.11830	0.4
149.13309	0.4
150.95407	0.3
151.11334	0.7
161.04549	2.1
161.09691	0.8
163.11305	4.3
165.05568	0.8
165.12816	2.6
167.10738	0.5
169.12408	0.5
171.10277	14.1
172.10571	0.9
173.09792	0.4
179.05681	0.8
179.10756	0.8
181.12416	0.7
185.11867	1.1
191.10730	1.2
193.12323	6.2
197.11838	3.0
199.13354	0.5
199.68472	0.4
201.11362	1.7
205.08708	0.6
207.10286	1.5
207.13855	0.4
209.11836	100.0
210.12186	6.0
211.13419	3.8
213.11319	0.6
215.12904	0.5
221.11819	1.2
223.09756	3.7
223.13353	0.5
225.11571	1.8
225.14970	9.3
226.15210	0.9
227.12892	9.6
228.13243	1.2
229.14507	1.0
235.08228	7.0
235.13441	0.6
237.15065	0.5
241.10818	0.8
243.16003	4.2
253.09294	15.7
253.14514	1.1
254.09503	0.6
291.19766	0.9
299.99130	0.4
305.21127	0.5
309.20712	1.4
323.22476	1.0
325.20300	2.1
327.21750	7.2
328.22150	0.8
341.23328	56.7
342.23685	5.4
445.21109	1.7
459.18826	0.5
533.34906	1.8
534.34949	0.5
545.29791	0.4
577.32281	1.5
625.40137	0.4
708.26819	0.4
751.38501	0.4
769.40308	1.8
770.40137	0.8
787.41394	2.6
788.43115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.8
61.98834	75.2
71.01391	66.5
71.59870	4.2
71.98619	5.1
73.02959	8.5
78.95911	13.6
80.96545	9.1
83.04995	7.6
85.02961	8.3
87.00889	11.2
88.98820	8.5
89.02456	9.8
91.63001	3.5
97.02969	4.3
99.00871	4.5
101.02437	7.4
108.91281	3.6
109.06572	20.2
111.08131	4.5
113.02448	5.6
125.02461	5.6
125.09743	8.2
135.08144	7.0
151.11339	3.8
153.05611	5.8
156.09834	3.5
163.11279	15.2
171.10271	46.9
181.12292	7.5
185.11850	4.9
195.13905	6.7
197.11798	14.0
201.11388	17.0
207.10280	39.5
209.11826	100.0
210.12219	11.8
223.09741	7.5
223.13457	5.2
225.11336	39.0
227.12874	9.3
235.08147	9.9
243.49730	4.2
253.09364	28.8
289.18097	5.5
291.19687	39.4
292.20178	5.8
293.21271	50.8
307.19064	6.9
309.20648	8.9
325.23865	8.8
327.21820	8.3
461.20346	13.1
497.07986	3.7
696.06158	4.9
713.91711	4.2
737.40698	8.6
755.42859	5.0
787.44257	15.6
788.45374	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	787.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
59.01379	7.1
60.02584	0.8
61.98836	100.0
62.56356	0.7
62.56700	0.8
62.98531	1.9
63.99268	6.8
68.32873	0.8
69.03458	4.9
71.01386	7.6
71.05045	1.3
71.61405	1.1
72.99308	1.1
73.02969	1.8
75.00875	1.6
78.95926	1.3
79.95754	1.9
80.96527	3.3
81.03461	1.2
83.01393	1.0
85.02965	7.3
87.00907	2.1
88.98798	1.7
89.02467	4.4
94.98075	0.9
95.01394	1.1
95.05051	0.8
96.96026	9.8
96.96980	1.6
97.02975	1.8
97.06605	2.6
99.00888	1.3
101.02448	5.2
109.02974	1.1
109.25524	0.8
111.77295	0.9
113.02442	3.7
114.93418	1.3
116.92881	2.5
117.02010	0.8
123.00863	0.8
123.04533	1.1
123.08156	1.2
125.02465	2.5
125.09752	2.3
127.11366	1.0
137.09731	2.1
151.11322	1.8
153.12874	1.3
161.04561	1.6
161.09737	2.2
163.11343	1.0
165.12817	0.9
169.01454	1.1
171.10295	16.5
171.11670	1.4
176.15976	0.7
179.10776	4.9
181.12541	0.7
183.13994	1.4
185.11743	1.0
197.11836	53.3
198.12149	3.4
201.11443	1.1
209.11868	11.4
210.12288	1.0
211.13425	7.7
221.11815	2.2
223.09814	1.4
225.00826	1.2
225.11349	1.8
227.12987	1.1
229.14388	6.0
239.12935	0.9
241.10834	3.3
253.09456	4.5
258.79861	0.7
291.19644	2.3
301.00116	1.0
327.21823	12.0
328.21933	1.2
335.15225	0.7
451.02155	1.3
477.19748	1.5
625.38104	1.1
721.59326	0.9
787.41345	85.3
788.41638	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84285	0.7
57.03448	1.9
59.01382	9.6
59.67527	0.9
61.98835	14.9
68.99808	1.8
69.03463	1.8
69.87856	4.0
71.01386	20.1
71.05059	0.7
72.99312	1.7
73.02936	3.4
78.95892	1.1
80.02688	1.9
81.03463	2.1
83.01414	1.3
83.05029	6.0
84.02175	3.6
85.02959	4.6
85.06581	0.8
87.00875	4.5
89.02453	6.5
91.04051	0.9
95.01410	1.3
95.05036	1.6
96.96030	4.8
96.96957	1.9
97.02954	3.3
97.06590	5.9
99.00856	1.0
99.04565	1.4
101.02451	7.5
107.05031	0.9
109.02953	1.0
109.06592	4.6
110.03745	1.7
111.04514	4.8
111.08158	1.0
113.02446	3.2
116.92854	0.9
119.03522	2.2
123.08177	1.1
125.02407	1.7
125.09733	2.9
127.07590	1.0
127.11309	1.8
128.90163	1.6
129.01949	1.4
135.08168	1.9
137.09767	1.3
143.03529	1.5
145.05017	1.1
149.09700	1.3
151.11269	1.5
153.09169	1.0
153.12746	1.2
155.10753	1.5
161.04630	3.9
161.09769	2.0
163.11285	6.0
165.12828	3.4
167.14439	0.9
171.10275	49.1
172.10571	2.6
177.09126	1.6
179.05588	1.5
179.10803	4.2
181.12386	2.1
183.13947	1.5
185.11855	2.5
191.10811	1.0
193.12292	5.0
197.11818	8.2
199.13411	1.5
201.11337	8.7
205.08693	3.6
207.10306	6.2
209.11838	100.0
210.12181	6.5
211.13382	10.1
213.11285	2.6
221.11830	2.5
223.09756	14.9
225.11328	9.6
225.14825	4.7
225.38843	0.8
227.12894	11.3
228.13133	0.9
229.14490	5.6
235.08247	11.4
235.13400	1.2
239.12709	1.1
241.10841	1.3
243.15993	3.2
253.09302	25.1
254.09673	1.6
291.19662	3.6
299.99060	0.8
300.99890	0.8
307.19153	1.1
309.20853	4.9
325.20169	11.0
326.20493	1.4
327.21774	27.5
328.22183	3.3
341.23343	58.0
342.23584	5.9
407.19345	1.1
441.17755	1.3
445.20599	1.2
459.18753	3.1
461.20309	1.8
533.34949	1.9
545.29388	1.5
563.30469	2.2
577.32086	1.4
769.40338	4.5
770.40063	1.7
787.41705	7.8
788.41827	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.8
59.01382	18.9
60.07750	3.5
61.98840	32.5
68.99795	3.1
69.91799	8.2
69.92211	7.8
70.31255	2.7
71.01389	100.0
72.99298	4.2
73.02950	4.4
75.00880	8.5
78.95926	2.8
81.03477	6.2
83.01402	4.1
83.05035	3.3
85.02967	8.9
87.00877	41.8
89.02448	12.3
97.02955	9.2
97.06598	7.2
99.00902	7.2
99.04537	3.2
101.02458	14.5
109.06603	12.5
111.04546	4.8
111.08168	7.7
112.82518	3.1
113.02450	13.3
123.04610	3.6
123.08222	4.1
125.02437	4.6
125.09720	9.8
143.05290	3.0
151.11333	4.1
153.05627	3.8
161.04591	4.1
161.09697	5.9
163.11275	9.2
165.12817	5.9
167.10918	3.0
169.12332	4.7
171.10277	35.4
179.10780	6.6
181.12389	5.5
181.89571	2.9
183.13934	5.1
185.11819	7.8
187.09778	6.2
187.56914	2.9
191.35571	2.9
195.10303	4.1
197.11848	25.1
199.09698	4.5
199.13435	13.3
201.11293	17.3
205.08690	8.2
207.10291	26.8
209.11887	32.0
211.13374	29.2
213.11407	5.6
215.12897	5.6
223.09787	17.1
225.11333	23.9
227.12929	14.5
235.08208	9.0
241.14502	9.2
245.19017	3.8
253.09232	19.6
289.18024	15.1
291.16364	2.6
291.19669	19.4
296.53888	3.1
307.19144	12.9
309.20724	18.9
327.21902	4.7
341.23267	12.8
457.28790	3.0
461.20847	3.5
482.22644	3.5
755.42426	5.5
769.39899	9.2
787.42474	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	787.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.7
61.98832	100.0
71.01384	12.6
71.61522	4.2
71.61927	4.1
78.95908	10.7
79.95747	6.9
80.96532	20.2
83.05009	3.5
89.02425	4.2
99.63219	3.1
109.06574	3.9
125.02404	7.4
139.03937	4.7
153.05695	3.8
161.24722	3.0
171.10307	4.8
181.12350	3.3
197.11853	7.6
207.10300	10.4
209.11818	21.8
211.13370	10.1
223.13390	18.4
225.00745	4.2
225.11276	10.1
227.12704	4.1
235.08368	3.2
253.09250	5.0
291.19733	6.1
298.16296	3.6
309.20718	13.1
323.30966	3.2
399.21686	5.5
459.22470	5.8
600.82874	3.6
640.37494	3.2
643.43335	3.5
787.39709	31.1
788.40131	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	787.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54539	1.2
57.03440	3.0
58.00582	1.4
59.01385	12.3
61.98833	100.0
69.03439	2.9
69.47597	9.3
71.01386	76.3
72.99302	2.1
73.02947	3.5
75.00869	2.2
78.95927	1.2
81.03431	2.5
83.01380	2.2
83.05037	4.5
85.02957	3.5
87.00878	27.2
89.02448	5.4
90.64588	1.1
95.01379	2.1
95.05016	2.9
97.02935	6.5
97.06577	5.1
99.00871	2.3
101.02464	8.2
109.06585	8.9
110.03733	1.7
111.04517	4.6
111.08163	2.6
113.02441	5.2
119.03516	1.6
123.04575	1.2
123.08167	3.6
125.02441	2.4
125.09708	9.2
127.11274	2.6
137.09758	1.8
139.07678	1.6
151.11253	2.8
152.34097	1.0
161.04527	1.5
161.09688	3.2
163.11295	6.4
165.09151	1.4
165.12822	1.5
167.10907	1.5
169.12357	2.9
171.10272	39.5
172.10635	2.5
177.09195	1.5
179.10751	5.7
181.12309	4.6
183.10207	2.2
185.11830	4.7
187.09773	2.3
191.14368	1.9
197.11852	13.3
198.12292	2.3
199.09666	2.1
199.13341	3.9
201.11327	16.3
205.08698	6.3
207.10242	16.2
208.10568	1.4
209.11844	17.1
211.13394	6.3
213.11342	3.2
215.12811	4.0
223.09744	16.5
225.11331	19.3
227.12842	4.8
229.14436	1.5
235.08144	3.2
241.10744	1.9
243.12383	1.8
245.19122	2.6
253.09277	14.3
259.15454	7.0
289.18207	8.4
291.19693	12.5
292.19958	1.4
293.20676	1.1
297.08197	1.2
300.99805	1.5
307.19159	9.4
309.20731	14.3
310.20959	2.0
327.21762	1.7
341.23349	4.5
376.93277	1.5
429.28253	1.2
459.18576	1.9
461.20230	2.3
474.52417	1.3
629.31500	1.3
769.40051	2.5
787.41254	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	787.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48450	0.7
57.03421	1.5
59.01371	2.9
61.98831	16.4
63.96228	2.2
68.71160	0.7
69.03456	1.6
69.63634	4.7
71.01392	11.5
71.26294	0.7
72.13676	0.9
72.32096	0.7
72.99313	1.1
73.02953	3.0
78.95901	3.2
78.98595	7.0
79.95737	19.1
80.39384	0.8
80.96520	88.6
83.01402	2.0
85.02949	4.3
87.00877	3.6
88.98813	0.9
89.02428	1.0
94.98087	19.7
96.96004	8.9
96.96973	2.5
97.02948	3.0
99.00847	0.9
99.23898	0.7
99.44674	0.8
101.02439	3.5
106.98095	5.0
107.01372	1.4
109.02921	0.9
114.93406	1.7
116.92860	2.3
117.05589	0.8
122.97575	3.5
123.00867	1.6
125.02439	11.4
127.04013	1.3
134.97594	7.7
135.04543	1.0
136.99144	2.6
137.02469	1.8
145.02823	0.8
148.99155	7.9
150.03282	1.3
152.08430	0.8
152.98643	7.4
161.02460	0.8
163.03999	0.9
164.98631	15.2
168.00467	1.0
169.01463	5.2
201.11293	2.1
203.03456	0.8
206.99719	3.4
209.11823	4.8
210.12251	0.8
211.13562	0.9
225.00743	30.4
247.02576	0.8
263.12854	1.0
271.04611	0.9
275.01883	1.6
289.07193	1.1
300.99817	4.5
360.39014	0.8
483.15527	1.9
527.17926	1.4
541.19543	3.4
709.54059	0.8
743.31476	3.7
769.31024	1.0
787.34265	100.0
788.34619	23.0
788.49323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01374	2.1
61.52820	0.7
61.98838	21.1
63.96232	2.9
69.03461	1.3
69.95792	2.9
71.01385	13.4
73.02948	2.3
78.95909	4.6
78.98599	7.2
79.95743	18.8
80.96522	100.0
81.03474	1.7
81.96516	0.6
83.01397	0.7
83.05044	1.1
85.02963	3.7
87.00887	5.1
94.98087	22.3
96.96008	2.2
97.02953	2.6
99.00902	1.1
101.02422	3.3
106.98104	5.8
109.06653	0.9
122.97593	4.1
123.08148	0.8
125.02451	7.9
127.04001	0.9
134.97600	8.3
136.99133	2.0
139.03973	1.1
140.46967	0.6
148.99142	8.4
152.98621	8.1
152.99709	0.8
153.05574	2.3
164.98622	14.9
171.10297	1.4
182.99620	0.7
193.93835	0.7
195.13893	1.0
201.11299	0.9
206.99686	2.9
207.10297	0.8
209.11818	5.4
225.00761	20.1
225.11342	1.1
227.12903	0.8
277.21799	1.6
279.23227	3.3
283.05023	0.9
295.22760	4.3
296.23093	1.4
311.22305	1.3
401.23248	1.0
509.17053	2.0
534.89294	0.7
543.03607	0.9
559.25714	0.9
560.26471	1.2
575.31982	0.7
714.43652	2.9
769.38776	0.8
786.49384	1.0
787.39429	96.6
788.39771	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	787.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56302	12.0
55.91579	12.7
59.01369	28.3
61.98831	100.0
69.70329	34.6
69.70735	57.0
71.01391	48.4
78.95905	43.1
80.96525	22.1
87.00878	25.7
125.02467	21.8
138.12039	14.4
149.46327	14.0
153.05557	25.5
155.08969	15.0
171.10280	39.2
183.13846	17.2
197.11839	47.2
207.10437	26.5
209.11923	68.9
211.13409	35.4
223.13368	68.2
225.11357	25.3
253.09323	20.9
309.20734	51.3
310.20990	25.3
311.22174	16.3
459.22437	15.2
639.48785	17.3
671.32697	18.8
787.40747	99.5
788.40436	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52797	0.1
59.01374	0.3
61.19955	0.1
61.98835	100.0
62.98536	0.2
62.99257	0.1
71.01405	0.2
71.61845	0.2
78.95927	0.5
80.96490	0.1
114.96370	0.1
125.02482	0.4
145.80482	0.1
153.05553	0.2
171.10387	0.2
178.61850	0.1
209.11891	0.9
211.13481	0.3
212.13829	0.1
215.10524	0.1
227.12943	0.1
241.14554	0.2
261.55368	0.1
277.21671	0.7
293.21173	0.2
302.00674	0.2
308.45444	0.1
412.12100	0.1
597.04547	0.1
662.35028	0.1
674.45862	0.1
712.41492	0.6
786.39142	0.2
787.41028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98533	0.1
62.99256	0.1
68.32504	0.1
76.80904	0.1
80.51069	0.1
80.96529	0.2
82.29684	0.1
94.98183	0.1
96.69471	0.1
147.21739	0.1
164.98589	0.1
209.11865	0.1
277.21603	0.1
291.65530	0.1
294.21701	0.1
311.22406	0.1
424.92099	0.1
437.73093	0.1
786.49786	0.1
787.39642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98531	0.2
69.60860	0.4
69.61272	0.3
79.23129	0.1
79.87512	0.1
80.96524	0.3
125.02451	0.2
129.01320	0.1
138.86807	0.1
143.00685	0.1
152.63918	0.1
164.98705	0.1
209.11975	0.1
321.45801	0.1
429.26410	0.2
430.26669	0.2
465.09024	0.1
507.97800	0.1
786.41052	0.1
787.40070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0999
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
59.01398	0.9
59.73485	0.6
61.98843	0.8
67.01894	1.6
69.03461	1.4
69.43616	2.1
69.44041	3.7
71.01397	2.9
79.01910	1.1
79.95738	1.9
83.01386	1.5
85.02949	1.3
93.03495	0.7
95.01413	2.5
96.96013	5.2
97.02963	2.9
101.02459	1.0
107.01386	7.2
109.02948	2.0
111.00879	2.2
113.02482	1.3
121.02969	0.9
123.00893	10.5
123.04476	1.2
124.01686	2.0
125.02452	84.0
126.02784	2.8
127.60316	0.7
131.04962	0.8
133.02954	0.8
135.04553	0.8
137.02477	1.8
138.35754	0.6
139.00383	4.2
140.01180	2.5
144.87421	0.6
145.02901	0.8
147.04521	0.8
149.02470	1.7
150.99332	0.9
151.00340	4.0
151.03993	1.1
153.01907	0.7
161.02417	2.3
163.03989	1.3
164.01265	0.7
165.01953	1.8
166.99901	2.9
167.03476	0.8
168.00642	6.9
169.01431	100.0
170.01741	4.1
173.02376	0.9
175.03983	1.3
177.01959	1.0
177.04056	0.8
179.03558	1.0
181.01402	1.0
191.03505	1.9
193.01433	3.1
196.50984	0.7
203.03487	1.3
205.01430	1.4
205.05013	1.0
211.02466	3.7
212.02814	0.9
223.02351	1.1
229.01469	0.9
231.02936	1.7
233.04712	1.4
247.02448	0.9
249.04015	2.1
249.08095	0.9
257.00974	1.2
258.01569	0.7
270.98798	0.7
273.00275	1.2
275.01822	4.1
277.03424	1.5
287.01929	0.9
289.07166	1.3
295.04630	4.8
300.99905	9.9
302.00174	2.2
303.00537	1.0
307.08566	2.8
313.05600	8.8
316.02121	1.3
331.06769	0.9
387.12958	8.7
397.02298	1.3
398.02533	0.8
399.02023	1.9
399.12930	6.6
423.05591	1.0
447.05603	1.9
448.06354	0.9
465.06738	6.0
467.13187	0.9
483.07858	1.6
567.24841	0.7
591.10278	1.2
617.07855	14.9
618.07910	2.6
635.08923	16.5
636.09521	3.6
787.09937	29.2
788.10571	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	787.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
69.52396	1.5
71.01357	0.2
71.04995	0.2
71.08133	0.2
79.95730	1.5
96.96014	100.0
97.95929	0.3
98.95658	0.3
115.04012	3.2
125.02445	0.4
151.70758	0.2
159.48093	0.2
167.10750	0.6
169.01407	0.4
182.14169	0.2
185.11844	7.2
186.12151	0.6
265.07504	67.6
266.07806	4.5
275.93176	0.2
283.98822	0.2
301.00156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01378	2.0
61.98829	11.1
71.01389	3.8
71.05022	4.4
71.60612	1.5
75.96877	1.1
78.95920	1.2
78.98601	1.8
79.95737	4.4
80.96521	23.7
81.03436	1.7
81.95337	1.6
82.96095	10.5
82.96933	1.3
83.01398	1.6
83.05022	3.6
85.02949	3.6
87.00901	1.1
94.98108	4.9
96.97692	1.9
97.02966	1.1
99.04540	6.7
101.29815	1.1
106.98071	1.1
109.02978	4.9
109.06651	1.2
109.73318	1.0
113.02512	1.4
123.04543	1.6
125.02434	3.9
125.06097	1.2
127.04021	13.5
134.97580	2.2
148.99167	2.4
151.04030	3.2
152.04829	3.5
152.98576	1.5
164.98660	2.9
166.98180	1.3
167.03511	3.9
169.05060	2.4
211.13449	1.6
225.00792	7.0
226.01051	1.3
227.00432	3.1
277.21738	2.5
301.21851	3.8
306.21619	1.1
343.26303	2.5
355.19186	1.7
369.24292	7.6
370.25000	3.8
373.23907	2.6
376.96384	1.2
385.27460	3.2
387.25540	3.0
402.40829	1.1
411.25476	2.4
429.26440	100.0
430.26797	13.1
486.34540	1.2
540.47882	1.1
563.60706	1.2
741.40472	1.4
785.42310	40.7
786.42645	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	785.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87912	2.5
71.05010	4.8
79.01911	2.8
80.96513	5.9
95.05044	5.8
97.02934	2.4
101.36531	2.4
125.02457	7.1
131.06128	2.7
138.76892	2.1
139.04050	20.3
164.00604	2.7
165.01955	3.7
166.02710	3.7
180.04379	3.2
186.95892	2.2
204.42149	2.3
244.09511	2.2
281.24768	4.3
308.90845	2.4
311.38370	2.9
320.89047	2.8
355.26505	8.5
399.25403	100.0
400.25812	14.6
537.25067	2.8
560.29114	2.7
767.41058	5.9
785.42651	22.6
786.42731	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	786.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59656	0.1
57.73524	0.1
59.01371	0.1
61.98836	100.0
62.98541	0.3
69.40012	0.9
71.01398	0.3
72.99336	0.1
78.95905	0.9
79.95761	0.4
80.96509	0.7
81.03450	0.1
83.05015	0.2
88.98824	0.3
89.05322	0.1
90.48305	0.1
94.98124	0.2
96.96021	1.4
96.96998	0.3
107.01392	0.2
108.02155	0.1
113.02486	0.1
116.92918	0.3
119.05073	0.2
125.02454	0.6
135.04536	0.1
137.02513	0.1
138.01979	0.6
150.03230	0.1
151.04019	0.1
164.98764	0.1
169.01472	0.4
204.71814	0.1
209.11876	1.1
210.12195	0.5
225.00748	0.2
241.01312	0.3
275.02106	0.1
289.07550	0.1
301.00003	0.3
329.41891	0.1
340.34875	0.1
508.17819	0.3
786.33643	1.4
787.34521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01397	2.1
61.98838	88.2
66.99725	0.8
69.65201	1.2
71.01389	6.3
71.05025	4.3
71.61565	1.5
73.02954	1.3
78.95937	1.8
78.98600	3.1
79.95752	6.8
80.96527	37.8
81.03469	2.8
81.95319	2.1
82.63939	1.0
82.96117	14.2
82.96928	2.7
83.01378	1.2
83.05022	4.7
85.02975	4.8
87.00883	2.1
89.42959	1.0
94.98088	7.8
96.97668	2.9
97.02972	2.0
97.06598	1.1
99.04523	9.1
101.02466	1.4
106.98077	1.6
109.02953	4.0
110.44519	1.1
111.04546	1.1
113.02475	1.4
122.97646	1.7
123.04524	1.3
125.02463	5.6
125.06087	1.5
127.04034	14.1
134.89575	1.0
134.97537	1.8
137.02487	1.5
148.99156	2.2
150.98697	1.3
151.04103	1.6
152.04893	2.6
152.98602	3.2
153.05632	1.2
164.98695	5.8
166.98192	2.4
167.03477	3.0
169.05150	1.1
209.11845	2.0
210.12201	1.8
225.00757	6.8
226.01109	2.1
227.00562	3.2
249.30914	1.1
256.94232	1.1
277.21838	3.5
301.21686	3.6
328.16046	1.2
335.51999	1.1
369.24606	4.6
370.25058	3.3
373.23776	2.5
374.01770	1.2
375.75464	1.1
380.26996	1.0
385.27686	3.1
387.25443	1.9
411.25500	2.7
427.25018	1.5
428.25339	1.5
429.26465	100.0
430.26852	12.9
492.96637	1.1
503.39493	1.1
586.63989	1.4
631.31622	1.1
741.39520	2.1
767.40491	1.5
781.94891	1.1
784.42853	1.4
785.42377	59.3
786.42096	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	785.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.1
61.98832	2.4
63.02406	1.3
65.00327	0.9
69.51320	7.3
71.01388	1.4
78.95897	1.6
78.98658	0.8
79.95726	1.8
80.96527	5.9
81.03462	4.7
82.96120	2.9
83.01389	18.1
87.15987	0.9
94.98117	1.3
95.01420	1.1
102.19200	0.9
107.01403	1.0
121.02972	0.8
123.04534	2.6
124.01681	1.2
125.02456	100.0
126.02781	2.9
128.18620	1.0
130.49028	0.9
139.04005	2.4
149.02411	1.8
151.00359	2.3
164.98628	1.0
166.02696	1.5
167.03499	3.8
179.03456	1.2
209.11899	1.0
213.29105	0.9
225.00723	1.9
227.00146	1.2
246.53986	0.9
255.23294	1.1
275.20309	6.1
279.23343	1.1
317.87439	1.1
339.23361	3.8
357.20795	1.4
383.22287	45.9
384.22507	5.6
397.46954	1.0
401.23312	32.2
402.23795	5.3
413.23346	1.2
767.41016	1.9
785.42273	15.7
786.42426	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	785.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	4.0
61.98834	94.5
63.96238	1.2
69.72000	5.2
71.01389	11.1
71.99143	0.8
73.02950	2.7
75.00852	1.2
75.76464	0.7
78.95905	1.6
78.98602	5.3
79.95744	100.0
80.96522	90.4
83.01380	1.1
85.02947	3.9
87.00879	2.5
87.04466	0.9
88.98785	1.2
89.00938	0.8
89.02443	1.5
94.98095	18.4
96.96004	8.6
97.02941	2.8
99.04530	1.2
101.02460	2.8
106.98085	2.5
116.92879	0.9
121.02991	1.3
122.97630	6.2
123.00893	1.9
123.04459	1.1
125.02457	7.1
127.04045	1.3
134.97585	7.0
135.03009	1.2
135.04575	5.2
136.99138	3.5
148.99132	6.2
152.98659	6.8
161.04549	2.2
164.98630	14.9
165.00005	1.5
167.00072	0.9
169.01451	1.3
171.10275	1.4
179.00160	1.0
188.98735	0.9
206.99704	6.5
207.10187	1.2
209.11803	2.9
224.00008	0.9
225.00743	27.7
225.11400	1.2
226.00925	0.9
230.78229	0.8
241.00201	2.8
241.82887	0.8
283.04996	2.9
300.99756	2.0
305.10684	1.2
341.05536	5.8
355.07016	2.8
425.14911	7.7
541.19666	5.4
557.19067	1.2
569.18903	3.1
583.20697	2.3
585.17572	1.3
613.21576	2.2
627.22937	1.6
641.25006	3.1
669.27814	2.5
681.27814	3.8
682.28064	1.5
683.29529	2.8
767.31647	32.8
768.32153	8.6
785.32568	31.7
786.33087	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	785.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01382	5.8
59.68953	0.6
61.98834	11.8
63.44404	0.5
68.32984	0.5
69.03453	1.3
71.01389	3.4
71.60128	1.1
73.02952	1.3
75.00864	0.7
83.01384	0.6
84.02144	0.6
85.02954	1.1
87.00892	0.7
89.02449	2.4
99.00914	0.7
101.02435	3.4
111.08157	4.0
113.02448	2.4
114.12508	0.6
116.92865	3.1
117.92905	1.2
118.20398	0.5
118.92699	1.4
119.03508	1.0
121.02966	52.6
122.03296	2.2
125.02434	0.9
141.09221	0.6
153.09232	0.8
153.12898	1.3
161.04568	1.3
163.11252	0.9
165.01898	0.9
169.12369	5.4
171.10292	1.0
179.05621	0.7
179.10780	1.2
181.06569	1.1
185.12074	0.5
191.03465	0.9
197.11835	100.0
197.90952	0.6
198.12206	5.8
199.13391	1.8
205.08850	0.6
207.10278	1.6
209.04558	32.1
209.11880	5.0
210.04900	2.2
210.12221	0.7
211.13423	3.8
223.13385	1.0
225.05540	1.2
225.11317	0.9
227.12936	1.2
235.08209	5.2
253.09280	10.5
263.20212	0.9
265.18103	0.7
291.19681	8.2
292.20047	1.2
293.21265	2.2
300.99921	1.1
309.20734	27.9
310.21017	3.1
313.07202	2.2
341.23340	1.5
343.24872	0.6
357.06195	0.8
390.63077	0.7
401.08755	5.6
433.20804	6.4
477.45163	0.6
516.32483	0.6
545.29883	1.5
753.40930	1.3
785.17096	0.8
785.43066	3.1
786.43359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01389	6.4
61.98826	3.1
71.01396	4.6
71.61488	1.2
73.02962	1.1
75.88202	0.8
83.05050	1.7
84.88897	0.9
85.02950	1.1
87.00867	0.9
89.02438	2.2
99.00824	1.0
100.46812	0.8
101.02463	3.2
106.93760	0.7
110.99257	0.8
111.08184	4.5
113.02426	1.7
117.46915	0.9
125.02456	1.8
132.05800	0.8
137.48753	0.9
151.11304	0.9
153.12802	1.0
157.75528	0.7
161.04582	1.5
169.12340	7.2
170.12651	1.0
171.10283	1.6
197.11830	100.0
198.12148	6.7
199.13332	1.8
207.10289	2.0
209.11842	11.0
210.12086	1.2
211.13268	3.9
225.11285	1.4
227.12920	2.4
235.08270	5.9
240.90117	0.9
253.09274	12.9
263.19949	1.7
286.81866	0.9
291.19708	8.8
305.50644	0.8
307.18906	1.2
309.20721	27.5
310.21091	3.5
324.47543	0.9
341.23328	1.8
433.20889	6.9
434.20905	1.4
450.90015	0.9
545.29956	1.8
603.94568	1.0
617.37366	1.0
785.42242	2.6
786.43329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94159	0.1
59.01387	0.5
61.98834	100.0
71.01385	0.6
71.59866	0.2
75.00925	0.1
78.95908	0.3
83.05046	0.3
85.02969	0.4
88.98819	0.2
89.02453	0.4
96.96027	0.8
96.96947	0.1
97.02985	0.3
101.02487	0.2
109.06599	0.3
111.00903	0.1
111.04564	0.2
113.02411	0.2
116.92902	0.2
117.57154	0.2
125.02448	0.3
125.09777	0.2
126.90442	0.4
151.71313	0.1
162.85881	0.1
163.11382	0.1
169.01434	0.2
171.10263	1.5
181.12337	0.2
197.11833	0.3
201.51379	0.1
207.10399	0.4
209.11832	2.8
211.13399	0.4
221.11816	0.9
223.13387	0.2
225.11322	0.8
227.12910	0.4
229.14532	0.1
235.08270	0.3
239.12901	0.7
253.09364	0.6
299.99258	0.2
300.99936	0.3
321.20706	0.8
325.20517	0.2
327.21799	1.2
336.08936	0.2
341.23495	0.4
439.68509	0.2
689.48737	0.1
691.87451	0.1
767.39185	0.2
779.86060	0.1
785.41248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.6
69.26482	3.3
79.95767	1.4
85.68504	0.4
95.01376	0.5
96.96014	73.9
97.06607	0.4
98.20641	0.7
98.95612	0.4
123.00865	0.6
124.01669	0.4
125.02457	2.8
133.03043	0.4
135.08154	0.6
137.02441	0.4
145.02957	0.6
147.04544	0.6
147.08170	1.1
159.04611	0.4
163.04057	0.4
165.09221	0.7
169.01483	1.8
173.02414	0.6
175.04056	0.8
185.02452	0.8
189.01956	0.3
193.49542	0.3
201.01871	1.0
203.03526	1.3
220.03242	0.4
225.11328	20.8
226.11667	1.1
229.01399	2.4
231.03053	1.2
245.00882	0.6
249.04057	1.3
257.00906	1.5
274.01044	0.5
275.01950	6.6
283.99783	0.5
299.99210	0.5
300.99905	20.9
302.00168	2.2
305.07007	100.0
306.07349	7.4
415.12881	0.4
444.52191	0.4
483.08014	0.4
633.07452	5.5
634.07391	0.8
785.08685	3.1
786.08868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06331	0.1
58.59948	0.1
59.29641	0.1
61.98836	100.0
62.98542	0.2
63.99297	0.1
71.01402	0.2
71.46847	0.1
76.60024	0.1
80.96550	0.2
83.08630	0.1
96.96045	0.1
98.19833	0.2
101.65640	0.1
151.22893	0.1
222.68581	0.1
262.61459	0.1
294.53937	0.1
300.99835	0.2
324.16992	0.1
333.67679	0.1
343.49710	0.1
636.92999	0.1
648.80316	0.1
785.36639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98833	100.0
62.23734	0.1
62.98551	0.2
63.96967	0.1
64.12491	0.1
64.65787	0.1
68.99597	0.1
71.01408	0.1
71.60359	0.1
72.99317	0.1
74.82484	0.1
75.00845	0.1
78.95921	0.1
80.96530	0.5
88.98818	0.3
94.83492	0.1
96.96029	0.3
96.96992	0.1
112.98598	0.2
116.92845	0.1
123.00964	0.1
123.04703	0.1
125.02466	0.2
127.15593	0.1
171.10286	0.1
207.10416	0.1
209.11929	0.2
211.13458	0.1
225.00763	0.1
225.11421	0.1
301.00055	0.3
348.81171	0.1
452.59384	0.1
722.84125	0.1
784.36365	0.1
785.37604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
60.19677	0.1
61.98832	100.0
62.98540	0.2
64.63158	0.1
71.01387	0.2
78.95933	0.1
80.96521	0.3
85.02999	0.1
87.27573	0.1
88.98816	0.3
94.98096	0.2
96.96027	0.4
97.20744	0.1
98.19810	0.1
101.02442	0.1
125.02480	0.2
149.08243	0.1
169.01422	0.2
176.18993	0.1
189.87401	0.1
209.11887	0.3
209.94679	0.1
219.44485	0.1
244.68193	0.1
291.92563	0.1
417.09409	0.1
438.48816	0.1
621.00177	0.1
784.36847	0.1
785.38068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
61.98834	100.0
62.98544	0.2
71.01382	0.1
80.96536	0.3
88.98827	0.2
96.96037	0.1
116.92832	0.1
125.02461	0.3
143.82419	0.1
164.19548	0.1
169.01443	0.2
209.11876	0.3
211.13365	0.1
216.47597	0.1
222.46422	0.1
222.60745	0.1
225.50211	0.1
318.89490	0.1
331.53433	0.1
784.36719	0.1
785.37549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.7
61.98838	10.9
68.35452	1.4
71.01380	11.5
71.05019	2.2
71.74993	1.5
73.02947	3.4
78.98589	6.4
79.95746	14.9
80.96518	78.5
81.03446	2.0
82.96085	2.4
83.05032	4.2
83.21199	1.5
85.02956	5.0
87.00872	5.6
89.02447	1.7
94.98097	17.2
97.02904	2.0
99.04498	1.9
101.02450	6.8
101.93350	1.4
106.98106	1.9
113.02430	2.3
118.37001	1.2
122.97584	4.0
125.02428	4.7
127.04009	4.2
134.97595	4.9
148.99120	6.8
152.98613	5.5
163.11249	1.9
164.98647	14.0
206.99710	2.9
209.11832	74.9
210.12186	5.1
225.00746	21.0
227.12828	13.3
235.08194	7.9
253.09323	9.5
255.23311	2.5
266.12082	1.5
272.32010	1.4
277.21729	100.0
278.22049	11.6
293.21262	3.2
297.75195	1.5
367.22586	1.6
391.24796	4.3
427.24832	22.1
428.25134	4.6
739.39392	3.3
783.41968	92.0
784.42047	24.2
790.94489	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	783.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64686	1.2
57.03451	1.8
59.01379	1.3
61.98524	1.4
61.98840	19.3
63.96235	1.6
69.63435	1.2
69.65281	8.1
71.01394	6.2
71.05031	1.6
72.01693	1.5
73.02948	2.0
78.95916	2.9
78.98588	3.8
79.01904	1.6
79.95748	48.0
80.96527	64.4
81.03473	7.1
81.95319	17.3
81.96131	2.5
82.96112	21.8
82.96917	2.2
83.01407	2.8
87.00882	3.1
94.98088	13.3
95.05070	2.6
96.96008	2.3
96.97038	1.2
96.97659	5.2
97.02956	3.3
98.19869	2.1
98.95587	1.4
101.02489	1.4
106.98072	3.9
108.97653	1.5
109.75109	1.2
122.97632	2.7
123.00956	1.3
125.02470	8.1
127.04043	1.1
134.97578	3.8
135.28444	1.1
138.03249	2.0
139.04030	7.1
148.99115	5.2
151.00410	1.6
152.01125	1.5
152.98595	4.4
154.98106	1.5
164.98662	9.6
165.01935	2.7
166.02701	8.4
166.98163	3.3
180.04253	4.4
193.04991	5.6
206.99644	3.3
207.06551	1.9
210.27162	1.4
225.00716	17.6
226.01096	2.8
227.00195	6.5
235.09706	1.4
249.11249	2.3
255.23296	2.2
256.23572	1.9
301.21783	1.6
341.05597	2.3
341.24875	11.2
342.25125	2.0
343.05609	1.6
353.24765	5.0
357.07208	1.2
385.23892	100.0
386.24316	13.1
388.00610	1.3
397.23874	76.5
398.24243	13.7
427.14709	1.2
462.16934	1.3
539.27502	2.1
611.29510	1.9
623.64075	1.3
639.33099	2.0
681.37915	2.0
737.40009	1.7
765.40076	34.8
766.40631	8.0
783.41370	53.6
784.41187	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	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.7
61.98838	10.9
68.35452	1.4
71.01380	11.5
71.05019	2.2
71.74993	1.5
73.02947	3.4
78.98589	6.4
79.95746	14.9
80.96518	78.5
81.03446	2.0
82.96085	2.4
83.05032	4.2
83.21199	1.5
85.02956	5.0
87.00872	5.6
89.02447	1.7
94.98097	17.2
97.02904	2.0
99.04498	1.9
101.02450	6.8
101.93350	1.4
106.98106	1.9
113.02430	2.3
118.37001	1.2
122.97584	4.0
125.02428	4.7
127.04009	4.2
134.97595	4.9
148.99120	6.8
152.98613	5.5
163.11249	1.9
164.98647	14.0
206.99710	2.9
209.11832	74.9
210.12186	5.1
225.00746	21.0
227.12828	13.3
235.08194	7.9
253.09323	9.5
255.23311	2.5
266.12082	1.5
272.32010	1.4
277.21729	100.0
278.22049	11.6
293.21262	3.2
297.75195	1.5
367.22586	1.6
391.24796	4.3
427.24832	22.1
428.25134	4.6
739.39392	3.3
783.41968	92.0
784.42047	24.2
790.94489	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	781.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.3
63.96230	2.4
71.01377	9.1
71.60064	1.2
73.02937	2.9
75.44907	1.3
78.95892	2.5
78.98602	9.0
79.95742	29.1
80.96521	100.0
82.96096	3.9
84.38789	1.0
85.02942	4.0
86.05722	1.0
87.00880	2.3
94.98093	22.3
96.95998	2.2
97.02968	2.5
101.02435	2.8
106.98075	3.8
122.97589	5.8
125.02422	3.9
126.02808	1.0
127.03934	1.6
134.97578	7.7
136.99202	1.8
146.41615	1.0
148.99171	6.4
151.29982	1.0
152.98663	5.2
164.98625	14.3
206.99756	2.4
210.20898	1.0
225.00749	25.4
255.23289	2.6
269.86185	1.0
274.01086	1.0
293.75784	1.0
357.31693	1.1
505.44849	1.2
525.16028	1.3
537.27216	2.6
583.62421	1.2
735.39728	4.4
737.41492	1.5
763.39496	32.0
764.40259	8.7
781.40894	52.9
782.41284	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	781.442
Annotation	lugdunin
Peak:m/z	Relative Intensity
57.04414	0.5
58.89231	0.4
59.01382	0.7
63.96216	1.1
64.24452	0.5
69.03456	0.6
69.61449	3.1
71.01395	8.9
73.02955	2.4
78.98601	6.6
79.95747	14.7
80.96525	82.0
81.03445	0.9
82.96124	1.3
84.29424	0.5
85.02959	2.6
85.42879	0.5
87.00883	3.7
94.98098	18.8
96.96021	1.8
97.02955	1.4
98.19909	0.9
101.02438	2.5
106.98106	3.0
122.97589	4.0
125.02454	3.5
133.57614	0.5
134.97588	5.6
136.99132	2.3
146.97586	0.5
148.99156	7.1
152.98642	6.9
164.98643	12.6
167.00156	0.8
206.99699	3.2
211.13362	1.5
225.00754	20.8
225.02983	1.1
226.01096	1.0
248.43633	0.5
255.23274	1.7
283.04944	0.7
409.80289	0.5
525.20105	2.1
537.27838	2.4
596.48492	0.5
693.17438	0.5
718.62665	0.5
763.40552	1.1
768.96637	0.6
781.44080	100.0
782.44366	29.5
808.21948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
63.18996	0.9
63.96225	2.4
64.63002	0.8
67.92387	0.9
69.03427	1.1
71.01381	10.2
73.02952	2.4
78.95908	1.9
78.98597	8.9
79.95738	19.6
80.96520	100.0
81.03462	1.3
82.96083	1.3
84.41543	1.0
85.02973	4.6
87.00887	3.9
94.98093	22.6
96.96003	1.4
97.02948	1.8
98.20614	3.1
99.92570	1.3
101.02442	3.9
106.98074	4.8
118.16842	0.9
122.97637	4.5
124.34890	1.0
125.02451	4.1
134.97595	7.1
136.99156	1.4
148.99142	8.2
152.98657	7.4
153.05577	1.2
160.54712	0.9
164.98642	14.0
172.97717	0.9
196.89403	0.9
206.99619	4.2
211.13397	3.3
214.37012	1.1
225.00737	23.8
226.01085	2.3
229.20428	1.2
235.16922	1.0
255.23283	1.6
363.25290	1.5
364.25696	2.1
365.26077	1.3
415.28619	1.2
416.28867	1.5
467.15088	0.8
525.20306	2.6
537.27454	1.6
763.39929	2.0
781.44086	97.1
782.44385	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	783.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08933	0.4
55.61461	0.5
62.40530	0.5
71.59681	0.7
73.56851	0.5
78.95933	0.6
84.23583	0.5
95.01432	1.0
96.65167	0.5
96.96985	1.6
117.03474	0.8
119.05093	0.7
123.00925	2.2
124.01601	0.4
125.02476	2.1
129.03496	0.6
133.02968	0.9
145.02956	2.7
147.04567	1.4
157.02969	1.9
159.04538	1.4
161.02472	0.9
163.04037	1.4
173.02431	3.4
175.04012	3.3
177.01942	1.2
185.02483	3.6
187.04100	1.0
189.02002	1.3
190.02786	1.1
191.03555	2.0
201.01979	6.0
202.02327	0.9
203.03526	7.9
213.01955	1.6
217.01419	1.1
219.02994	1.4
228.00655	0.6
229.01443	12.9
230.01918	1.3
231.02991	5.6
237.49811	0.5
238.96901	0.6
244.00060	0.7
245.00873	2.8
247.02455	1.7
249.04051	4.8
257.00961	10.1
258.01660	4.6
259.02295	0.9
273.00461	1.2
274.01248	2.3
275.02011	39.6
276.02411	3.2
283.99667	4.4
287.02084	0.8
299.01978	3.0
299.99265	3.3
300.99927	100.0
302.00238	8.0
341.02853	0.7
434.62009	0.5
463.05673	0.6
481.06277	7.7
482.06311	1.0
486.89783	0.5
783.06873	23.8
784.07526	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	783.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42336	0.4
69.54967	3.5
93.73344	0.5
117.03451	0.7
119.05038	0.6
123.00940	0.8
125.02470	1.3
129.03531	0.7
133.02977	0.8
135.99910	0.4
136.20456	0.5
145.02957	2.5
147.04524	1.9
157.02898	1.1
158.03703	0.5
159.04594	1.1
159.74664	0.5
161.02411	0.5
163.04031	1.3
169.01392	0.8
173.02446	3.3
175.04034	2.0
177.01903	0.8
185.02434	4.2
189.01988	1.1
190.02740	0.7
191.03484	1.6
201.01985	6.3
203.03502	4.4
213.01947	1.5
214.02672	0.8
216.00557	0.6
217.01398	0.9
219.03044	1.7
226.99924	0.9
229.01424	12.1
230.01860	1.0
231.02927	3.5
245.00986	3.3
247.02443	1.1
249.04112	3.2
257.00940	8.8
258.01694	3.7
273.00449	0.7
274.01123	1.3
275.01984	30.1
276.02313	2.1
280.49506	0.5
283.99585	2.7
299.99194	3.7
300.99908	100.0
302.00214	9.4
437.07904	0.6
481.06284	7.4
482.06448	0.7
483.09662	0.5
505.44370	0.5
543.06952	0.5
587.98755	0.6
776.35925	0.5
783.06873	25.2
784.07111	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	783.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91635	0.3
71.60227	0.7
79.95751	0.9
81.03457	0.7
83.01426	0.7
96.96021	3.6
107.01401	0.9
116.80350	0.4
117.03475	0.5
120.88998	0.3
123.00878	0.6
123.04538	2.7
125.02453	6.7
129.03549	0.4
145.02975	1.5
147.04585	0.5
150.03239	0.6
151.00415	0.9
157.03033	0.4
161.02403	0.4
163.04106	0.4
167.03514	7.0
168.00636	0.4
169.01439	6.5
170.01823	0.4
173.02451	1.5
177.97601	0.4
185.02463	2.8
189.01915	0.8
191.03494	0.6
194.09506	1.1
201.01987	2.1
209.11865	0.9
211.02486	0.9
213.01849	0.4
217.01469	0.5
226.99901	0.4
229.01445	3.9
241.03543	0.5
245.00905	1.6
253.10884	0.7
254.99176	0.4
257.00906	1.7
271.04514	0.9
273.00381	0.8
275.01953	1.0
283.99622	3.1
289.07126	0.6
299.99142	3.3
300.99911	100.0
301.96884	0.6
302.00229	8.9
307.08691	0.4
312.99890	1.0
313.05682	4.4
314.97958	0.7
332.98807	0.5
333.06488	1.9
333.13800	25.0
334.14249	1.9
340.99527	0.5
347.11688	0.9
367.01276	0.5
439.08789	1.3
481.09918	22.3
482.03912	0.6
482.10181	2.8
589.02515	0.5
600.78406	0.5
625.61157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
63.32024	0.7
63.96239	1.5
69.34744	2.6
69.35178	3.6
69.46288	0.7
71.01384	6.8
73.02931	1.7
74.43105	0.8
75.00880	1.2
77.46357	0.7
78.95889	1.2
78.98583	5.5
79.79676	0.7
79.95741	100.0
80.62434	0.7
80.96519	83.8
81.03447	1.1
85.02950	3.0
87.00868	3.4
94.98089	15.7
96.96006	2.5
97.02953	1.6
101.02466	2.2
106.98083	3.1
113.02469	0.8
116.31240	0.8
122.97558	4.7
125.02429	3.4
127.04012	2.0
134.97601	6.9
136.99146	2.8
148.99161	7.1
152.98636	6.5
161.04588	1.9
164.98637	11.4
179.00244	1.1
188.98592	1.0
206.99707	4.1
223.99976	1.6
225.00735	25.9
226.01198	1.3
241.00282	4.2
255.23311	3.2
283.04892	1.7
341.05566	6.6
355.07001	1.7
397.11407	1.1
425.14874	4.6
426.14645	1.1
507.15350	1.1
537.27283	6.4
538.27655	0.9
579.28534	1.0
609.29596	2.1
623.31531	1.1
637.32532	2.6
651.33826	1.6
665.35138	0.9
679.37085	2.7
680.37604	0.9
735.39862	1.3
763.39484	38.9
764.39758	10.5
781.40637	35.0
782.41022	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	781.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.3
63.96227	2.0
65.27000	0.7
69.03477	1.2
69.44825	0.8
71.01389	11.3
73.02943	2.3
78.95928	1.1
78.98602	6.8
79.95745	33.1
80.96524	100.0
81.95352	0.8
82.96111	3.2
85.02956	2.7
86.85404	0.8
87.00871	3.5
94.98100	20.6
96.96023	2.5
97.02959	2.1
99.93544	0.8
101.02449	2.1
106.98109	4.7
110.12428	0.9
122.97593	4.3
125.02449	4.2
133.11269	0.8
134.97615	7.9
136.99135	3.1
146.97578	1.1
148.99136	8.2
152.98643	6.5
162.13821	0.7
164.98640	14.1
169.34808	0.8
172.84219	0.7
174.07700	0.8
198.71896	0.8
206.99690	3.8
225.00755	27.6
225.02971	1.7
226.01070	1.8
227.00407	1.4
247.12158	0.8
255.23186	2.2
292.25616	1.0
382.56046	0.8
425.14801	1.4
525.16809	1.1
537.27386	3.1
735.39496	3.8
736.40247	1.4
763.39453	22.9
764.39954	6.4
781.41296	61.1
782.41406	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	781.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.1
61.98824	2.7
63.76256	0.7
63.96234	2.0
69.03458	1.2
71.00291	0.7
71.01393	10.1
71.34673	1.5
73.02934	2.6
73.13309	0.7
75.00879	0.7
75.67867	0.7
78.95511	0.7
78.95904	3.4
78.98594	7.1
79.95744	81.5
80.96523	100.0
81.96460	1.0
82.96091	1.3
85.02947	2.7
87.00880	3.6
94.98092	20.0
96.95987	2.3
97.02959	2.5
99.59763	0.9
101.02452	2.5
106.98102	4.2
111.98122	0.7
113.39263	0.7
118.57675	0.7
122.97583	5.3
125.02447	4.1
127.04012	1.9
134.97592	7.8
136.99113	3.1
147.55635	0.8
148.98138	0.8
148.99168	8.1
152.98616	7.5
152.99567	0.9
161.04527	1.3
164.98651	15.7
179.00183	1.0
196.28827	0.8
206.99680	6.7
209.11876	2.1
223.99950	1.0
225.00739	28.2
226.01053	2.0
239.00783	0.8
241.00435	3.1
255.23447	5.1
283.04977	2.1
309.30057	0.8
341.05414	4.5
355.07034	1.4
425.14804	5.2
426.15274	0.9
507.15109	1.1
537.27765	5.3
538.28241	1.1
579.28662	1.3
582.40753	0.8
609.29529	1.7
637.32465	2.1
679.37482	3.0
735.40527	1.2
763.28247	0.7
763.39392	33.2
764.39673	8.1
781.40485	64.1
782.40698	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	781.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85582	0.9
61.98832	8.3
63.96238	1.7
69.03438	1.0
71.01387	10.6
73.02931	2.7
75.00865	1.2
78.71835	0.7
78.95899	3.0
78.98593	7.0
79.95742	92.9
80.96519	100.0
81.03443	1.3
85.02951	4.4
87.00870	3.2
94.98088	19.6
96.95997	2.7
96.96965	1.0
97.02959	2.1
98.19829	1.7
101.02434	3.5
106.98086	3.0
111.94762	1.0
122.97611	6.6
125.02439	3.9
127.04083	0.8
130.60487	0.8
134.97604	7.0
136.99136	2.1
148.99146	7.5
152.98633	7.9
161.04477	2.1
164.98630	13.8
179.00186	0.8
206.99675	6.1
209.11847	3.0
223.99965	1.0
225.00746	29.2
226.01073	0.9
241.00392	2.6
255.23376	4.0
258.14078	0.8
283.05011	1.6
341.05551	6.6
355.06940	1.4
397.12350	0.8
411.12836	0.8
425.15216	5.1
507.15005	1.8
537.27252	5.5
541.45422	0.9
555.27881	1.0
579.28436	1.1
609.29456	2.4
623.31305	1.5
637.32629	2.5
679.37219	2.2
680.37872	1.2
735.40088	1.3
737.37927	0.9
756.26648	0.9
763.39380	39.3
764.39960	11.5
781.40497	61.6
782.40900	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	781.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01379	6.9
61.98830	14.1
63.02490	1.0
71.01381	1.4
71.62005	1.5
73.02966	1.5
87.00898	1.6
88.98813	4.1
89.02440	1.1
93.03444	2.4
96.96015	6.3
101.02450	1.4
107.01410	0.9
108.02193	2.7
109.02947	2.0
116.92832	2.4
119.05015	2.7
121.02952	7.1
122.03757	11.6
123.00871	2.3
123.04528	3.2
124.01703	1.2
125.02473	6.3
125.33832	0.9
128.13670	0.8
132.02121	1.5
133.02971	1.9
135.04489	3.1
136.01653	2.1
136.07681	1.1
137.02441	2.8
145.03029	1.0
147.04431	1.5
149.02451	35.5
150.03235	77.9
151.03998	5.5
153.05606	1.6
160.01639	2.2
161.02473	2.7
161.04482	1.0
162.03218	1.7
163.04018	3.2
164.04805	8.2
165.01894	3.1
165.05580	71.4
166.05975	4.8
169.01373	4.7
175.04018	7.1
177.05600	2.0
179.03545	1.9
179.07143	2.9
180.04314	6.5
180.07936	1.3
181.05017	4.4
181.08728	1.6
191.03508	1.6
192.04234	0.9
195.06631	51.2
196.07092	4.2
197.06000	1.0
207.06580	2.1
209.11853	2.7
211.04018	1.4
211.09740	3.7
221.06351	1.0
222.08862	2.2
223.09750	1.1
225.07626	1.4
227.03539	1.0
231.02731	1.2
237.05585	1.2
239.07066	1.0
240.04381	3.1
242.09479	2.7
245.08156	0.9
255.06662	1.5
257.11819	1.2
267.06528	2.9
268.07376	1.0
269.08154	4.0
270.06116	1.3
270.08954	8.3
271.09744	1.0
282.08914	1.6
283.06158	2.7
283.09818	1.2
284.06894	3.2
285.07709	3.8
285.11322	8.7
286.08478	2.2
295.05869	1.3
296.06912	1.5
297.07608	1.2
298.08530	8.1
299.09247	10.6
300.10062	1.7
300.99884	4.3
301.10910	3.7
309.07797	1.3
310.08411	2.8
311.09311	4.9
313.07138	6.0
313.10840	16.6
314.07968	13.5
314.11414	1.9
324.09918	1.6
325.10822	5.0
326.07840	3.0
326.11548	2.9
327.08743	1.4
328.09525	13.4
329.10257	31.0
329.14145	2.1
330.10736	5.0
341.10318	29.4
342.10696	3.7
343.11865	71.1
344.12555	55.3
345.13229	10.4
356.12680	16.4
357.13315	5.3
358.14188	12.7
358.18106	1.6
359.14993	100.0
360.15369	13.1
371.15015	61.4
372.15390	8.2
373.12949	4.7
389.16016	2.0
391.13940	7.0
537.21484	1.6
552.93420	1.0
555.21942	1.4
567.22620	1.2
585.23492	2.4
698.29590	1.3
703.27991	10.2
704.27844	2.0
733.28650	29.6
734.29102	8.9
781.36609	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	781.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90957	0.3
59.01381	20.2
60.01722	0.3
70.73238	0.8
71.84668	0.2
79.95312	0.4
79.95701	1.3
96.96014	71.0
97.06582	0.6
97.95938	0.4
109.02917	0.4
125.02462	1.6
134.60074	0.2
135.04521	0.3
135.08136	0.4
137.02412	0.3
147.08150	1.0
151.04070	0.3
161.02457	0.6
163.03990	0.3
165.09164	0.5
169.01440	0.6
181.12411	0.4
201.01872	0.3
203.03404	0.4
225.11324	21.1
226.11618	1.3
226.98892	0.3
229.01370	0.4
230.01836	0.3
231.03012	0.3
237.04283	0.3
239.06049	0.3
245.01053	0.4
247.02457	0.3
249.04042	1.0
254.80896	0.3
275.02072	0.7
289.07306	0.4
299.99295	0.3
300.99905	3.5
302.00342	0.8
305.07001	100.0
306.07312	7.4
328.37402	0.3
373.11484	0.3
443.12119	0.3
669.91638	0.3
693.05493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55122	0.7
59.01396	1.2
61.64715	0.8
61.98836	5.9
62.36341	0.7
71.01395	1.1
73.02970	1.0
83.01374	0.8
85.02991	1.2
88.98811	1.3
93.03445	3.8
95.01408	1.0
96.96030	3.4
101.02446	0.9
106.67979	0.9
108.02211	1.0
109.02927	1.2
116.92869	2.5
119.04985	1.0
120.99648	3.3
121.02969	8.3
122.03764	15.3
123.00891	1.7
123.04542	1.2
124.01676	1.7
125.02499	4.3
132.02203	2.2
133.02977	2.4
135.04530	2.8
136.01665	2.1
137.02437	3.3
139.25864	0.8
147.04555	1.3
148.05238	0.9
149.02464	33.2
149.06010	0.8
150.03236	90.1
151.03896	4.4
160.01674	3.3
161.02354	1.3
163.04005	1.1
164.04807	8.0
165.01920	3.1
165.05576	81.3
166.05905	5.2
169.01414	3.0
175.04044	3.8
179.03513	1.7
179.07140	0.9
180.04291	6.4
180.50931	0.9
181.04903	1.4
191.03516	1.0
191.76118	0.9
195.06627	63.1
196.06969	5.0
209.11824	8.6
209.20164	1.0
211.04109	0.9
223.09764	1.3
225.07643	2.6
227.12769	3.7
239.07069	0.8
240.04391	1.2
241.05064	1.0
242.05879	1.0
242.09470	3.4
246.08794	0.8
253.08884	0.9
257.11749	2.4
258.08905	2.1
267.06714	1.8
268.07431	1.3
269.08176	3.3
270.08942	10.1
271.09500	1.9
275.02084	1.6
275.05237	0.9
281.04797	1.2
281.08005	1.4
282.08868	1.6
283.06287	1.7
283.09741	2.3
284.06870	3.3
285.07953	1.6
285.11319	10.0
286.08289	3.8
296.07056	1.1
297.07562	2.3
297.10962	1.1
298.08539	7.0
299.09216	10.2
300.99945	2.6
301.10825	3.2
309.07944	1.2
310.08481	2.4
311.09299	4.9
313.07172	2.9
313.10855	9.9
314.07983	10.9
314.11420	2.1
315.08527	1.5
324.10107	2.0
325.10687	4.4
326.07825	3.6
326.11600	2.5
328.09482	6.3
328.13065	1.7
329.10312	27.3
329.13879	2.8
330.10812	4.2
340.13141	1.2
341.10333	31.9
341.13815	1.1
342.10794	4.4
343.11880	36.2
344.12625	47.9
345.13181	8.8
356.12646	14.7
357.09329	1.1
357.13284	3.6
358.14233	5.5
359.15002	100.0
360.15335	11.2
371.14993	64.3
372.15222	7.2
373.12848	1.3
389.16226	1.2
391.14026	5.1
457.02237	1.2
480.14249	1.8
492.17529	1.1
507.20520	1.5
521.33331	1.6
537.21344	21.3
538.21686	3.5
585.23206	7.2
586.23334	1.4
659.21893	1.5
703.27435	3.8
704.28076	1.3
733.28571	11.7
734.29004	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	779.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
59.58195	0.8
63.96244	1.3
66.62911	0.9
70.15404	0.9
71.01385	9.2
72.99281	0.9
73.02937	1.8
74.97134	0.9
78.95897	1.6
78.98588	7.1
79.95747	16.7
80.96521	90.6
81.03455	0.9
82.96105	3.6
85.02958	3.1
87.00890	3.5
94.98095	22.8
96.95996	1.4
97.02962	1.9
99.00877	0.9
101.02443	2.5
102.46954	0.8
106.98083	3.8
113.02426	0.9
122.97575	5.3
125.02483	4.3
125.33101	1.0
127.04056	1.1
134.97603	5.6
136.99095	1.7
142.69012	0.8
143.68253	0.9
148.99150	6.9
150.88063	0.8
152.98647	7.5
164.98639	16.6
173.54845	1.0
206.99644	4.2
209.11838	1.3
225.00751	23.7
226.01073	1.0
255.23291	1.7
269.24875	2.0
320.41135	1.1
509.16721	2.6
536.16650	1.1
626.61493	1.2
699.11047	1.2
733.38135	1.3
779.42200	100.0
780.42523	27.3
792.99487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20598	0.7
59.01343	0.8
59.35429	0.8
61.98825	1.4
63.96232	1.4
69.03453	0.8
69.67386	3.3
71.01384	9.4
73.02955	1.3
77.04980	0.7
78.98598	6.8
79.95741	13.8
80.96526	79.4
81.03454	0.9
82.96088	1.6
85.02956	2.9
87.00863	2.6
94.98093	17.7
96.96026	1.3
97.02946	2.6
97.64769	0.6
101.02446	2.7
106.98080	2.7
117.03780	0.6
119.20817	0.7
122.97587	4.3
125.02468	3.4
127.04036	0.7
134.97594	6.3
136.99149	2.0
148.99144	8.0
150.97034	0.6
152.98648	6.7
164.98630	14.1
179.00128	0.7
206.99654	2.4
209.11774	1.0
225.00768	22.1
226.01076	0.8
269.24942	1.0
365.45673	0.7
475.91034	0.8
509.16806	4.1
510.18283	1.0
551.28937	1.6
779.42548	100.0
780.42944	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	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96384	1.0
63.60173	0.8
69.38594	6.4
72.44067	0.8
78.95908	46.2
96.96061	10.5
96.96964	100.0
213.97037	0.9
240.01131	0.9
439.08536	24.9
440.08887	2.1
522.18713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22344	0.1
59.01384	0.4
60.99311	17.5
61.98837	1.3
63.28967	0.1
65.98788	0.1
71.01379	0.7
72.99314	0.2
73.02943	0.2
75.00865	0.1
87.00900	0.3
88.00406	0.2
88.98814	100.0
89.02428	0.4
89.99158	1.2
91.83791	0.1
101.02506	0.3
105.01928	0.2
107.01350	0.2
113.02428	0.2
116.92867	0.8
117.01926	0.2
123.00835	0.2
123.04475	0.2
125.02461	0.6
151.00327	0.2
169.01410	0.5
171.10201	0.5
177.36900	0.1
195.84439	0.1
203.51483	0.1
207.10208	0.3
209.11850	1.2
210.12091	0.3
225.11237	0.2
237.87608	0.1
264.54276	0.1
300.99789	0.2
357.18005	0.1
779.38568	1.5
780.37640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.39
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01926	0.7
57.03447	1.1
59.01376	1.4
61.98827	0.8
63.96239	1.1
65.35559	0.7
67.29347	0.7
69.03482	0.9
69.70109	5.1
71.01390	9.8
73.02949	1.5
78.95921	5.0
78.98605	6.1
79.95744	15.8
80.96526	93.7
85.02947	3.3
87.00893	3.3
94.98095	18.2
96.96915	1.0
97.02931	1.7
101.02456	3.5
106.98089	3.6
109.06558	1.1
122.97599	4.3
125.02464	3.8
127.04010	1.1
133.80498	0.8
134.97614	7.0
136.99127	2.1
148.99150	8.5
152.98625	8.0
152.99608	1.0
155.39960	0.7
164.97276	1.3
164.98634	18.7
166.02646	0.8
197.11800	5.5
206.99689	3.2
207.10284	1.4
225.00737	31.7
225.11292	1.2
226.01062	1.5
241.01125	0.9
255.23309	7.8
256.23654	1.0
261.38083	0.8
393.27020	1.1
414.37360	0.8
414.44553	1.0
456.86005	0.8
523.14941	2.4
779.39069	100.0
780.39294	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	777.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92408	1.3
55.76627	1.2
63.96246	1.4
71.01385	9.9
71.60535	2.4
73.02948	1.2
74.18949	1.2
78.95900	9.2
78.98175	1.4
78.98589	7.6
78.98975	1.1
79.95414	1.1
79.95750	13.4
80.96523	86.9
85.02957	2.5
87.00890	4.4
89.87727	1.2
94.98094	20.5
96.96944	1.9
97.02951	1.8
101.02424	3.7
106.98069	1.7
116.75615	1.3
122.97576	5.8
125.02435	4.9
134.97571	5.0
136.00475	1.5
148.99149	9.3
152.98611	7.0
152.99712	2.0
153.05602	2.4
161.61058	1.2
164.98665	12.8
182.16833	1.3
196.89523	2.8
206.99724	2.6
207.29131	1.3
225.00763	18.0
226.00993	1.6
241.01236	2.0
255.23286	5.3
325.50992	1.4
399.90277	1.4
498.85883	1.5
777.41193	100.0
778.41290	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.533
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24598	0.1
61.98833	100.0
62.98535	0.2
70.19706	0.1
71.23293	0.1
71.23643	0.2
73.05541	0.1
207.55020	0.1
216.07710	0.1
264.83600	0.1
356.44543	0.1
451.94705	0.1
784.99243	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	777.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01379	7.1
71.01391	5.2
71.60136	0.7
72.99315	0.7
73.02972	0.7
85.02952	7.1
87.00879	0.9
88.79951	0.6
89.02449	5.0
93.41556	0.6
95.01410	1.3
96.96014	1.0
101.02437	3.0
103.04015	10.7
107.01400	2.0
109.02960	0.7
113.02462	2.5
117.05655	0.7
119.03502	2.0
123.00894	3.3
125.02464	13.6
139.00417	1.3
139.04062	0.9
140.01189	0.9
145.02966	0.7
145.05113	0.7
151.00362	1.8
163.00302	0.8
163.04004	0.8
166.99791	0.6
167.03543	1.1
167.59814	0.6
168.00639	6.0
169.01434	19.5
170.01778	1.0
191.05690	0.8
209.43422	0.6
211.02481	20.7
212.02864	1.6
231.02907	0.7
241.03564	1.1
249.03937	1.1
265.09302	32.1
266.09641	2.3
271.04596	36.4
272.04974	2.6
273.00409	0.6
275.01974	1.4
283.02454	1.3
300.99899	4.7
313.05704	1.7
331.06674	3.2
359.09775	5.9
360.10144	0.8
403.12445	1.0
412.15817	0.6
417.10385	100.0
418.10660	11.5
423.09421	1.2
428.74371	0.6
453.10257	2.1
549.44940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20751	0.7
59.01395	0.8
59.93544	0.5
60.91931	0.7
61.91420	0.7
61.98816	1.3
63.96243	1.4
64.49940	0.6
65.34207	0.6
65.57158	0.6
70.59313	1.9
71.01392	7.3
72.99314	1.0
73.02946	2.0
78.22855	0.6
78.95904	5.2
78.98592	6.4
79.95741	14.2
80.96521	81.9
85.02958	3.0
87.00853	3.2
94.98089	19.3
96.96024	1.7
96.96972	1.3
97.03013	1.4
99.00888	1.1
101.02429	2.6
105.85324	0.7
106.98085	3.9
107.73480	0.7
109.06574	0.8
122.97585	4.8
125.02468	4.5
127.03979	0.9
134.97597	5.8
136.99141	2.1
148.99124	6.1
152.98627	5.8
152.99649	1.9
164.98621	14.0
196.89526	0.7
206.99646	2.8
223.13371	2.0
224.98627	1.4
225.00749	20.7
225.02953	1.2
226.01172	1.1
241.01114	1.8
255.23282	2.6
269.24768	1.3
345.16956	0.7
373.17349	0.8
459.34354	0.7
468.89896	0.7
507.15268	2.4
551.28125	1.3
574.91187	0.7
777.41089	100.0
778.41364	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
55.58147	0.3
57.03453	0.7
59.01378	5.4
60.99303	1.6
61.98833	3.2
68.58585	0.4
69.03460	0.5
69.50037	1.9
69.50446	0.8
71.01381	6.5
72.99316	1.1
73.02943	1.6
78.95909	0.4
80.02692	1.0
81.03466	1.6
83.01393	1.3
83.05029	4.5
84.02172	0.7
85.02959	1.7
87.00882	2.3
88.98813	7.3
89.02453	3.8
95.01390	0.4
95.05024	0.8
96.96029	1.8
97.02942	0.6
97.06617	0.6
98.95567	0.7
99.00896	0.6
99.08167	1.9
101.02436	4.0
109.06577	1.0
111.04529	0.4
113.02462	2.6
116.92860	4.9
117.01933	1.1
119.03516	1.0
121.02986	0.4
125.02469	1.3
125.06145	0.4
125.09719	1.5
127.11292	1.0
135.04460	0.3
135.08197	0.4
137.02386	0.4
139.11305	0.5
145.05064	0.6
155.14380	0.9
157.05080	0.5
161.04575	1.9
163.11304	4.2
165.05463	0.4
165.12843	2.5
167.14397	0.7
169.01395	0.6
171.10252	4.0
179.05585	0.7
181.12401	1.1
183.13889	2.4
184.14110	0.5
185.11830	1.0
191.10791	1.0
193.12340	1.1
197.11823	2.6
199.13376	0.7
207.10280	2.2
209.11832	100.0
210.12164	8.7
211.13412	17.7
211.15056	0.3
212.13693	1.4
223.13333	0.5
225.11304	1.0
227.12904	12.5
228.13144	0.7
229.14424	10.7
230.14725	0.8
235.08229	8.7
236.08568	0.8
253.09297	20.4
254.09650	1.1
293.21085	2.1
300.99814	0.4
311.22299	7.9
327.21860	1.0
328.21979	0.8
329.23328	62.8
330.23700	7.0
397.13675	0.5
445.20764	1.6
521.34796	1.5
547.31122	1.3
559.46722	0.4
565.32300	2.5
566.32068	0.5
650.38629	0.4
776.40387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.44478	0.1
62.98547	0.3
71.23700	0.2
75.78349	0.1
87.15887	0.1
100.17070	0.1
101.10608	0.1
109.08015	0.1
132.67822	0.1
176.17885	0.1
337.98593	0.1
351.28271	0.1
451.89188	0.1
566.18665	0.1
650.95032	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	775.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.2
66.61455	1.5
78.05936	1.8
78.95910	3.4
81.03463	5.7
83.01394	11.1
86.92651	2.0
90.97952	1.8
101.63502	1.7
118.26983	1.5
120.62434	1.6
121.02978	2.2
122.03770	2.9
123.04532	2.8
124.01654	2.1
125.02458	81.4
126.02819	2.3
133.01430	2.2
135.96895	1.6
139.04004	3.0
142.02147	1.8
151.00322	1.8
153.05608	2.4
167.03546	3.2
211.13443	4.7
229.38039	2.2
240.33530	1.7
287.20151	6.3
291.19583	3.7
371.18564	16.3
371.22510	3.3
372.19083	2.8
403.24890	100.0
404.25275	14.8
415.93848	1.8
775.40082	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	775.442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01379	1.8
61.98830	2.2
69.88745	4.3
71.01385	0.9
71.05025	3.8
76.51144	0.8
78.95907	4.4
81.03476	1.6
83.01395	1.2
83.05029	4.3
84.16881	0.8
85.02958	2.5
95.05095	0.7
97.02959	0.9
97.06590	1.3
99.04538	8.3
107.05025	1.5
109.02949	3.5
111.04526	1.9
113.02483	0.7
123.04545	2.4
125.02403	1.8
125.06107	1.2
127.04016	16.2
128.04393	1.1
151.04013	3.2
152.04796	2.8
152.99591	1.3
167.03479	3.7
169.05043	1.9
176.54823	0.8
211.13507	0.8
230.84866	0.7
249.18604	1.0
273.18576	2.4
274.19119	0.8
285.18549	0.8
306.55118	0.8
315.23300	0.7
339.23380	0.9
341.21198	6.6
342.21823	3.6
343.18997	1.0
345.20761	3.1
346.20959	0.9
355.22754	1.5
357.24500	3.1
359.22369	3.0
373.20392	1.4
383.22250	2.5
400.22363	1.5
401.23343	100.0
402.18808	1.1
402.23737	15.8
775.42114	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	775.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.2
66.61455	1.5
78.05936	1.8
78.95910	3.4
81.03463	5.7
83.01394	11.1
86.92651	2.0
90.97952	1.8
101.63502	1.7
118.26983	1.5
120.62434	1.6
121.02978	2.2
122.03770	2.9
123.04532	2.8
124.01654	2.1
125.02458	81.4
126.02819	2.3
133.01430	2.2
135.96895	1.6
139.04004	3.0
142.02147	1.8
151.00322	1.8
153.05608	2.4
167.03546	3.2
211.13443	4.7
229.38039	2.2
240.33530	1.7
287.20151	6.3
291.19583	3.7
371.18564	16.3
371.22510	3.3
372.19083	2.8
403.24890	100.0
404.25275	14.8
415.93848	1.8
775.40082	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	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55013	1.8
54.84186	1.9
57.96884	2.2
58.78673	1.9
61.98832	4.2
69.78602	4.4
69.79005	10.0
78.38553	1.9
78.95932	3.0
83.05012	2.2
86.11185	1.8
97.06567	1.9
98.20566	2.4
100.01791	2.0
102.87438	2.1
125.02458	2.4
128.67215	1.8
137.37019	2.3
146.97182	2.1
152.99554	3.1
209.11836	100.0
210.12180	5.7
211.13515	2.4
227.12917	23.0
228.13419	2.3
235.08186	6.1
253.09323	12.4
275.20111	4.2
293.21259	51.5
294.21643	9.9
318.19977	2.1
321.71219	2.2
379.41287	2.0
390.24448	2.1
445.20651	6.6
454.16382	2.2
463.22180	2.1
737.50781	2.3
775.40552	30.4
776.41125	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	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	7.3
62.22685	3.1
71.01369	3.7
78.95892	6.9
82.18960	3.1
85.81242	3.1
87.07085	3.6
98.19905	7.0
111.75111	3.2
171.10191	3.2
183.36073	3.4
209.11841	74.7
210.12181	5.2
227.12993	22.1
253.09261	25.7
275.20227	7.0
293.21246	100.0
294.21484	11.1
503.93713	4.5
529.30316	7.9
775.40662	34.3
776.40613	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	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40230	18.1
61.98831	87.1
63.42969	18.2
63.65408	21.1
71.60556	32.6
78.95911	45.7
96.95979	39.2
125.02444	62.0
152.99524	20.6
171.10292	22.7
197.11801	59.7
209.11739	25.1
211.13429	97.8
217.04994	22.3
253.09329	31.2
264.29041	21.7
291.19711	56.1
293.21280	32.0
300.99799	23.9
309.20673	47.2
649.35596	24.3
694.78998	28.3
775.39008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40230	18.1
61.98831	87.1
63.42969	18.2
63.65408	21.1
71.60556	32.6
78.95911	45.7
96.95979	39.2
125.02444	62.0
152.99524	20.6
171.10292	22.7
197.11801	59.7
209.11739	25.1
211.13429	97.8
217.04994	22.3
253.09329	31.2
264.29041	21.7
291.19711	56.1
293.21280	32.0
300.99799	23.9
309.20673	47.2
649.35596	24.3
694.78998	28.3
775.39008	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	773.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	4.9
61.42156	2.4
65.00307	3.6
71.61175	2.3
73.30616	2.3
73.31052	2.4
76.74004	2.5
80.96561	3.3
81.03477	9.1
109.14822	2.2
111.04562	2.7
125.02470	14.9
148.30420	2.6
151.04077	2.8
153.05576	17.7
167.88991	2.3
180.04332	3.3
277.21762	5.5
317.24863	15.1
318.24997	3.3
361.23880	100.0
362.24170	19.6
367.26352	4.2
411.25366	44.5
412.25714	8.2
773.42285	24.2
774.43298	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	775.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75713	1.2
59.01374	1.9
61.98809	3.0
71.01380	2.1
71.60824	2.5
79.95763	2.6
83.05042	1.3
85.62289	1.3
93.03464	4.4
95.01363	1.7
96.96010	74.7
101.02443	1.7
107.01415	2.1
109.02928	5.3
121.02975	7.9
122.03748	11.3
123.00870	4.9
123.04520	1.9
124.01614	1.8
125.02451	9.9
135.04549	2.1
136.01692	1.7
137.02440	13.8
147.04529	1.5
149.02446	24.2
150.03233	87.2
151.00386	10.3
151.03792	5.7
152.03642	1.6
152.04776	5.2
161.00110	1.2
161.02441	2.4
164.01216	1.3
164.04774	5.1
165.01862	3.2
165.05574	100.0
166.02719	33.5
166.05861	4.6
167.03381	3.9
169.01392	8.4
175.04013	2.9
177.01880	3.5
177.05505	3.0
178.02797	1.5
179.03391	2.6
179.07191	2.9
180.04251	5.0
180.93237	1.3
181.05075	35.1
182.05386	2.0
184.03682	1.6
187.04015	3.0
190.02672	1.7
191.03395	2.6
193.05045	2.6
195.06621	58.6
196.06960	4.5
205.05043	7.7
211.13300	2.8
220.07355	6.6
251.05936	1.9
275.01666	1.9
291.09100	58.8
292.09366	5.5
300.99951	3.9
315.08640	2.8
372.12088	3.3
387.10602	4.2
387.14908	9.6
388.10925	1.9
402.13132	5.0
403.13638	1.9
416.14587	3.4
417.15536	54.4
418.15802	5.8
531.76459	1.4
535.16522	4.3
550.18146	1.8
565.20795	60.9
566.20947	13.9
583.21295	1.7
595.21832	1.9
613.22900	39.7
614.23297	9.6
623.16321	2.7
775.16901	3.3
775.31226	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	775.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28222	0.6
65.63501	0.6
69.54198	4.8
79.95751	1.6
80.24179	0.6
96.96016	100.0
98.19855	0.8
109.71902	0.6
119.67384	0.7
150.03221	0.8
165.01912	0.8
172.09523	0.7
195.06651	1.3
211.13376	1.2
276.38004	0.7
291.09097	69.3
292.09457	6.3
571.67444	0.8
587.60168	0.7
619.97632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.3
61.98829	20.2
71.60996	6.7
71.61439	8.8
80.96512	15.3
81.03448	7.3
85.06604	17.8
86.01157	8.4
109.06679	8.8
111.04579	9.7
124.01642	10.2
125.02453	91.8
139.04039	11.5
151.03969	8.6
153.05595	66.7
155.15335	6.8
179.03566	8.9
192.34531	7.8
255.23409	9.1
281.24832	20.9
361.23853	89.5
362.24109	19.1
411.25394	81.2
412.25705	13.6
505.22360	18.0
523.23254	25.6
547.06458	8.8
680.98846	10.2
741.44672	18.7
773.42566	100.0
774.43085	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	773.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23136	0.3
55.01886	0.8
57.03457	1.1
58.00588	0.3
59.01385	4.1
61.98832	1.1
69.03469	0.9
71.01385	5.2
73.02945	0.8
80.02695	1.5
81.03471	1.3
83.01405	1.2
83.05031	4.9
84.02166	1.1
85.02954	4.4
85.65657	0.3
87.00884	1.0
89.02465	2.6
95.05053	1.5
96.96034	1.1
97.02977	0.9
97.06602	1.7
99.00903	0.4
101.02450	3.8
103.03900	0.4
109.06593	0.7
111.08201	0.4
113.02435	2.4
116.92858	0.4
119.03539	0.9
125.06152	0.6
125.09774	0.6
127.11298	1.3
133.05153	0.4
137.09738	0.7
139.61147	0.4
143.03517	0.6
143.37984	0.3
153.09317	0.4
155.10744	0.8
161.04579	2.1
163.11319	4.1
165.12849	3.1
168.66711	0.4
171.10283	11.8
172.10674	0.4
177.12877	0.7
179.05618	0.5
181.12341	0.7
183.13956	1.2
185.11949	0.8
191.10857	1.3
193.12350	0.6
197.11787	0.5
201.11351	0.5
207.10289	1.2
209.11844	100.0
210.12187	6.9
211.13416	9.1
212.13776	0.8
221.11813	1.3
225.11356	1.2
227.12895	11.3
228.13295	0.8
229.14441	6.7
229.18048	0.4
235.08253	8.4
236.08398	0.8
239.12878	1.3
243.12334	0.5
247.20613	0.7
253.09294	18.9
254.09653	1.0
291.19641	3.2
309.20712	7.2
310.21051	1.0
327.21774	59.1
328.22141	5.2
445.20731	1.9
493.54807	0.4
519.33344	1.0
537.34406	0.6
545.29584	1.1
563.30878	2.7
564.31061	0.5
570.99640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.1
59.01386	7.1
61.98834	4.3
67.21927	0.8
71.01389	5.8
73.02942	0.9
73.80906	0.8
75.00864	1.0
80.02669	1.2
83.01380	0.7
83.05042	4.2
85.02932	1.2
87.00880	0.9
88.98814	2.3
89.02448	3.6
96.96036	2.4
101.02451	4.3
103.00367	2.3
103.03950	0.9
107.11722	0.9
109.06596	0.9
110.46214	0.8
111.08157	6.1
113.02453	2.7
114.93386	1.7
116.92864	3.1
125.02461	1.0
125.09682	1.4
127.11261	2.1
142.59158	0.7
153.12849	0.8
155.10739	1.3
161.04591	1.9
163.11246	3.6
165.09166	1.4
165.12869	2.1
169.12337	3.9
171.10266	3.5
179.05566	1.2
181.12369	1.9
183.13922	0.9
185.11668	1.0
191.46658	1.0
194.23979	0.9
197.11835	36.3
198.12065	1.8
199.13400	3.5
201.11328	43.9
202.11754	1.8
207.10254	1.0
209.11842	100.0
210.12166	6.5
211.13448	7.8
212.13814	0.9
225.11301	1.4
227.12877	11.8
229.09914	0.9
235.08188	4.2
253.09290	24.1
254.09705	1.6
263.20190	2.3
265.18152	1.1
291.19681	13.8
292.19897	1.6
293.21265	0.8
309.20731	54.6
310.21072	6.5
327.21799	5.0
399.66754	0.8
420.30545	1.0
433.95041	0.8
437.20322	3.0
445.20459	2.1
447.55234	0.9
493.31409	1.2
545.29175	2.3
677.72278	0.9
773.42139	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	773.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72472	2.2
58.57180	2.5
59.01377	4.7
61.98829	3.8
68.35292	2.3
71.01395	11.2
71.60983	3.9
78.95912	4.9
83.05014	2.9
89.02467	3.3
91.64987	2.4
97.02970	2.5
97.06592	2.9
101.02432	3.0
109.06585	4.0
110.66935	2.4
113.02450	3.6
125.02502	4.9
151.11269	6.5
151.88966	2.5
163.11253	5.6
163.85892	2.5
165.13039	3.5
168.30113	2.3
169.12343	24.8
170.05818	2.5
171.10297	7.1
197.11882	7.3
199.09749	2.7
201.34949	2.5
207.10255	6.6
208.10611	2.9
209.11845	100.0
210.12196	11.1
211.13309	4.4
213.11340	8.4
225.11325	5.7
227.12935	25.1
235.08424	3.7
253.09335	16.9
254.09531	2.5
262.89056	2.7
291.19720	59.7
292.20032	7.3
294.21704	4.3
445.20895	7.0
449.20370	4.8
527.28778	4.8
630.20837	2.9
631.29700	2.7
657.31329	8.6
658.32172	3.3
719.40771	4.4
728.82715	3.0
737.41943	3.7
773.38855	12.2
774.40106	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	773.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94335	3.3
57.03452	4.3
59.01377	5.7
61.98826	5.5
68.99869	3.2
69.59991	23.7
70.66764	3.4
71.01398	3.7
78.95919	15.9
80.96524	4.4
85.02953	58.7
87.00897	15.9
99.04497	3.3
111.00900	9.4
124.71957	2.9
125.02457	11.8
139.04018	6.9
152.99577	10.4
153.05562	6.1
167.03488	8.1
171.60638	3.2
178.65955	3.2
209.11781	5.9
211.13263	4.3
242.45432	3.4
268.48694	3.7
277.21811	5.6
282.90717	3.9
300.99866	4.1
345.24374	30.6
352.13409	3.8
385.23859	15.9
445.26004	100.0
446.26361	14.5
448.12079	4.2
773.38910	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	773.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.0
61.98837	52.3
69.45071	18.5
69.45484	8.9
71.01377	8.6
73.02965	4.5
78.95929	5.2
80.96508	4.6
85.02974	4.2
88.98817	5.0
96.96001	33.3
96.96948	3.6
98.20603	7.1
101.02399	4.5
110.25518	4.0
116.92860	18.5
117.01981	3.7
125.02518	5.3
144.81784	3.7
161.09575	3.2
163.11418	3.9
165.05507	3.6
165.12825	4.5
169.01460	5.0
171.10233	6.9
183.13908	3.9
204.19087	3.2
209.11859	100.0
210.12177	9.9
211.13356	6.1
227.12924	39.2
235.08118	4.8
253.09320	10.4
303.32156	3.8
327.21768	27.2
372.84778	4.7
445.20837	6.3
463.22009	4.2
761.54193	4.3
773.36108	31.9
774.36621	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	773.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95670	2.2
59.01369	6.0
61.98842	5.7
65.51923	2.1
71.01392	13.0
71.59892	2.0
75.00865	2.3
78.78328	2.2
78.95905	5.8
81.03428	3.6
83.05019	5.3
85.02940	4.0
89.02417	3.9
97.06606	4.2
101.02451	4.3
109.06602	6.6
113.02367	3.0
125.02431	6.7
151.11275	8.6
152.99586	2.8
153.05537	3.3
163.11249	4.4
165.26253	2.2
166.49800	2.2
169.12350	34.0
170.12701	4.1
171.10255	8.9
195.13977	2.5
197.11917	5.4
207.10266	10.9
209.11821	72.7
210.12186	6.4
211.13234	3.7
213.11296	5.6
225.11285	9.5
227.12881	25.0
235.08194	4.8
253.09367	13.4
291.19684	100.0
292.19965	13.0
293.21115	4.1
300.99753	3.9
327.21768	3.7
377.22992	2.4
445.20602	3.1
449.20282	5.7
461.19849	3.3
509.27930	3.7
527.28607	20.2
527.93011	3.1
529.86255	2.5
631.29486	5.5
639.30634	2.8
657.31537	11.0
658.31073	5.1
719.40460	4.5
737.41986	4.1
773.38391	24.3
774.39838	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	771.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03453	1.1
59.01382	7.5
61.07677	0.5
61.98837	8.3
64.98795	0.4
69.03469	1.2
69.71386	2.3
70.05807	0.5
71.01388	5.2
71.05019	2.4
72.99290	0.6
73.02950	1.6
80.02685	1.7
81.03482	2.6
83.01396	0.9
83.05041	4.7
84.02184	1.1
85.02962	3.6
87.00867	1.2
89.02466	3.4
91.52950	0.4
95.05030	1.4
95.53149	0.5
96.96020	1.9
97.02965	3.8
97.06563	2.5
98.20605	0.8
99.00916	0.8
101.02459	5.0
107.05045	0.6
109.06608	17.4
110.03755	0.7
110.06959	0.7
111.04528	0.5
113.02462	2.7
119.03507	0.9
121.06637	0.9
123.04507	0.5
123.08173	0.6
125.02471	0.8
125.06071	0.7
127.07648	1.0
127.11308	0.7
135.08192	1.0
137.09729	0.8
143.03523	0.7
145.05049	0.9
151.11311	0.5
155.10764	0.5
161.04552	2.2
161.09761	0.8
163.11296	8.6
163.12537	0.8
164.11626	0.6
165.12852	2.4
169.12350	1.6
171.10289	9.0
172.10544	0.7
179.05563	0.8
179.10767	0.6
181.12357	3.5
183.13910	1.3
185.11884	0.6
189.09148	0.8
191.10835	1.1
193.12337	0.7
197.11838	15.1
198.12076	1.1
199.13414	1.4
201.11429	1.0
207.10283	27.9
208.10634	1.9
209.11845	100.0
210.12184	6.9
211.13400	12.8
212.13638	0.6
221.11826	1.0
221.77205	0.5
225.11330	11.5
225.14828	0.6
226.11728	0.9
227.12891	12.8
228.13367	1.2
229.14474	2.2
235.08247	6.2
235.13393	2.5
237.14922	1.8
239.12880	0.7
243.12482	0.5
249.14867	0.8
253.09293	19.7
254.09711	1.5
267.15756	0.6
289.17984	3.2
291.19708	1.4
307.19226	3.2
309.20834	2.5
325.20212	36.1
326.20526	3.5
327.21774	24.1
328.22079	2.1
409.33057	0.5
410.90729	0.5
414.60699	0.5
443.19077	1.0
445.20737	1.4
446.21475	0.6
461.20462	3.9
517.31763	0.7
543.28040	0.9
545.29999	0.8
561.29309	1.9
563.30920	1.2
753.40771	1.6
771.41913	10.1
772.42303	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	773.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69611	0.3
59.01380	19.6
60.01719	0.3
60.68798	0.3
69.37921	1.6
69.38346	0.7
70.84447	0.3
79.01532	0.3
79.95733	1.4
96.96011	64.9
97.06608	0.4
97.95963	0.6
98.95596	0.7
125.02448	0.8
135.08174	0.5
147.08133	1.2
163.11284	0.3
165.09288	0.3
169.01399	0.4
225.11316	21.3
226.11734	1.5
233.64046	0.3
239.05939	1.1
249.03909	0.5
300.99933	1.0
305.07001	100.0
306.07294	8.7
307.06726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70042	1.6
57.03447	3.2
58.00594	2.1
59.01383	18.3
61.25363	1.7
69.03470	3.5
71.01384	63.9
72.99300	2.6
73.02963	5.5
80.02689	2.4
81.03486	3.1
83.01385	3.4
83.05023	8.8
85.02970	9.0
87.00876	6.3
89.02425	9.0
95.01421	2.2
95.05039	5.0
96.96017	4.4
97.02953	7.6
97.06510	1.9
98.20643	3.6
99.00852	2.9
101.02450	13.7
109.06590	11.3
110.03724	1.8
111.08180	11.3
113.02470	8.9
125.09725	5.4
127.11305	4.4
135.08168	3.6
137.09720	2.4
137.87936	1.9
140.66743	2.0
149.09760	2.6
151.11302	4.0
155.10757	3.0
161.04553	4.4
161.09727	2.6
163.11307	21.5
165.09282	2.7
165.12877	4.4
167.10730	2.2
169.12317	7.3
171.10274	100.0
172.10582	5.0
181.12360	8.2
183.13863	2.4
185.11787	6.3
189.09204	2.5
191.10834	2.1
197.09949	3.3
197.11829	67.2
198.12161	2.8
199.13380	5.1
201.11339	47.6
202.11694	2.4
207.10257	42.9
208.10738	2.6
209.11838	80.0
210.12161	4.5
211.13432	15.6
212.13599	1.9
215.12886	6.7
217.25467	1.8
225.11319	76.8
226.11647	5.3
227.12910	14.6
229.51338	2.0
235.08183	11.6
239.12778	2.0
243.12386	5.3
245.19019	4.3
247.20689	2.5
253.09322	41.0
254.09583	2.7
263.20200	5.2
289.18085	6.6
291.16666	2.4
291.19687	32.4
292.20081	3.3
295.10403	3.3
307.19159	5.7
309.20728	96.0
310.21088	10.2
317.42636	1.9
378.46387	1.9
443.19174	3.9
461.20322	15.5
479.20850	2.4
493.87637	2.1
501.80695	2.5
517.32214	2.3
681.42126	2.2
753.40765	7.2
771.41724	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	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
58.00590	3.1
59.01382	21.0
61.88857	1.7
64.51592	1.7
69.03455	3.7
69.97811	6.8
69.98212	3.0
71.01390	41.2
72.99315	2.4
73.02954	8.7
81.03430	3.5
83.01376	2.9
83.05032	6.0
84.02163	2.6
85.02953	7.8
87.00877	5.2
89.02428	8.6
95.01403	3.6
95.05036	6.1
97.02964	11.5
97.06602	2.9
98.20562	2.8
101.02462	12.8
107.05042	1.9
109.03039	1.8
109.06612	12.1
110.03718	1.7
111.00864	2.1
111.04586	3.6
111.08145	7.1
113.02453	8.1
119.03498	1.9
125.09737	9.1
127.11311	5.2
137.09756	4.1
139.07678	2.0
143.03502	4.5
145.81996	1.6
149.09784	2.3
151.11278	2.7
155.10741	2.7
161.04524	5.5
163.11296	17.3
165.09149	3.1
165.12849	8.6
169.12325	2.7
171.10283	100.0
172.10562	4.0
179.05556	2.0
179.10727	4.2
181.12399	8.7
185.11835	9.2
189.09132	2.9
191.14307	2.3
193.12256	3.6
197.11856	24.3
201.11320	47.6
201.13176	2.3
202.11742	2.1
207.10263	36.4
208.10571	3.8
209.11844	86.4
210.12204	6.1
211.13397	6.5
212.13744	2.2
215.12880	4.9
217.02560	2.0
225.11333	70.4
226.11700	4.6
227.12854	11.1
235.08322	10.9
243.12366	5.0
245.19244	5.1
247.20639	5.0
253.09303	37.5
263.20270	2.0
273.18570	2.5
289.18188	15.1
291.19653	51.8
292.19977	4.7
295.10239	3.8
307.19162	8.3
309.20737	98.4
310.21024	9.4
390.86749	2.0
443.19199	3.3
461.20581	11.5
461.25958	2.1
570.77490	1.9
661.12573	2.2
753.40533	6.5
771.41388	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	771.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
69.38260	1.1
69.38665	2.5
69.49663	0.4
79.95723	4.2
85.02972	1.5
87.04517	16.0
96.96015	87.0
97.95937	0.5
111.08199	0.9
139.07640	0.9
147.11761	0.5
152.67477	0.4
165.12871	1.5
167.00183	0.8
192.65161	0.4
227.12880	5.2
228.13142	0.5
261.08139	0.7
263.09521	2.0
271.43469	0.5
289.07498	0.5
300.99881	2.5
302.00266	0.7
307.08569	100.0
308.08878	8.2
513.98987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66911	0.1
58.50352	0.1
59.01386	0.1
61.98836	4.0
71.01385	0.2
78.95908	19.7
79.95265	0.2
79.95741	4.3
79.96191	0.3
80.96526	1.3
83.05042	0.2
89.02467	0.2
93.97153	0.1
94.98109	0.9
96.96017	100.0
96.96955	26.9
97.95950	0.3
98.02469	0.3
98.20597	0.3
125.02461	0.2
137.02501	0.2
152.04675	0.2
164.98529	0.2
171.10400	0.2
194.76833	0.1
207.10141	0.2
209.11885	1.0
225.00731	0.4
227.82460	0.2
227.84486	0.2
252.53049	0.2
253.09253	0.2
327.21783	0.3
330.37228	0.2
403.13809	0.2
645.99011	0.2
771.34235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43165	0.8
59.01381	4.9
61.98836	100.0
69.03467	1.6
70.17465	4.0
70.17777	0.8
71.01386	6.9
71.89318	1.0
72.61575	0.8
72.99306	1.2
73.02946	2.1
77.65560	0.9
78.95912	2.4
79.95735	2.4
80.96511	5.1
83.01360	1.1
83.05024	3.4
85.02951	3.1
87.00866	1.5
88.98808	1.2
89.02449	3.0
94.98092	3.1
95.05009	1.8
96.96015	9.3
96.96995	1.2
97.02939	3.9
97.06602	1.1
98.20508	1.2
101.02460	4.9
102.38409	0.7
109.06590	7.7
110.03751	0.8
111.00894	0.9
113.02441	2.5
114.93434	1.8
116.92883	2.1
119.08673	0.8
123.04547	1.1
125.02432	2.2
125.09692	1.7
127.11275	1.0
135.08127	2.2
151.07619	1.3
161.04503	1.9
161.09712	1.1
163.11275	7.7
164.98695	1.0
165.12849	1.5
169.01404	1.6
171.10248	8.7
179.05602	1.1
179.10732	1.7
181.12332	1.4
183.13908	0.9
185.11789	2.7
189.09129	0.9
197.11789	1.6
199.13426	1.1
201.11284	1.0
207.10271	28.2
208.10594	1.7
209.11845	51.1
210.10313	0.9
210.12190	3.3
211.13423	7.9
225.11333	20.4
226.11702	1.2
227.12881	11.4
228.13263	1.3
229.14435	4.3
235.08266	5.4
239.12891	17.3
240.13197	2.0
253.09270	14.2
254.09508	0.9
271.15591	5.8
273.17020	8.9
289.17813	1.7
291.19727	1.6
300.99561	0.8
307.19296	1.7
309.20715	3.1
325.20190	3.5
327.18149	1.5
327.21799	21.1
328.22141	1.9
345.88760	0.9
352.20743	0.8
443.19180	1.1
461.20273	4.6
771.34961	5.4
771.41547	6.4
772.42175	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	771.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.5
61.98827	3.8
69.66719	7.8
69.67133	3.8
71.01386	9.9
74.55495	1.6
78.95901	2.4
80.96552	2.1
81.03445	2.6
83.01391	16.9
89.77084	2.0
96.66910	2.2
98.19853	1.9
106.49661	1.7
107.82757	2.0
123.04530	1.9
125.02457	100.0
126.02769	2.5
147.51231	1.9
159.02217	2.2
167.03467	2.4
197.11810	2.6
247.17162	2.2
309.20749	2.1
355.19254	5.1
373.20166	16.5
374.20300	2.5
386.51248	2.1
397.20157	17.7
415.25140	2.8
427.24896	8.7
441.03906	2.1
633.05096	2.1
771.40918	3.5
772.42139	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	770.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99966	0.1
55.97310	0.1
59.01381	0.2
61.23897	0.1
61.98837	100.0
62.98550	0.2
63.99257	0.2
67.38094	0.1
69.68185	0.1
71.01400	0.4
78.91908	0.1
78.95916	0.2
79.95753	0.4
80.96530	1.2
85.02956	0.1
87.00858	0.1
88.98840	0.2
89.02458	0.1
94.98109	0.3
96.96024	0.8
96.97001	0.1
113.21519	0.1
116.92919	0.2
123.04573	0.1
125.02496	0.5
129.03226	0.1
135.04553	0.1
139.04066	0.1
151.04013	0.2
161.09814	0.1
164.98639	0.2
165.01874	0.1
169.01460	0.3
171.10388	0.1
182.14990	0.1
193.06599	0.1
195.06622	0.2
205.12366	0.1
207.10445	0.1
209.11935	0.5
225.00896	0.4
269.08408	0.1
300.99921	0.3
311.09082	0.2
314.11588	0.2
329.14307	0.3
340.36557	0.1
341.14133	0.2
421.11069	0.1
434.88541	0.1
618.25574	0.1
770.32593	0.9
771.32166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.6
70.07812	7.1
71.01385	1.6
78.44637	1.6
79.01878	2.4
80.96519	10.3
80.98177	1.7
81.95277	2.0
82.96118	8.9
82.96935	1.4
85.02968	1.9
95.05042	4.2
96.97664	2.6
97.02942	2.9
98.20624	1.9
117.81228	1.7
121.02963	2.2
138.03218	1.6
139.04027	14.8
165.01767	2.6
166.02707	5.5
166.98135	2.2
180.04303	4.1
193.04990	2.2
227.00400	2.1
353.24921	4.7
371.22214	3.4
397.23837	100.0
398.24121	19.0
558.43744	1.5
769.41431	31.4
770.41754	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	770.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98837	100.0
69.22698	0.1
71.01395	0.3
71.60929	0.2
73.02978	0.2
78.95915	0.3
79.95752	1.5
80.96529	1.5
83.52847	0.1
87.00896	0.1
88.98812	0.3
94.14089	0.1
94.98119	0.3
96.96019	1.9
96.96973	0.2
104.23520	0.1
105.18256	0.1
117.05648	0.1
123.00943	0.2
125.02487	0.3
131.40802	0.1
136.42297	0.1
146.04646	0.2
149.02464	0.1
161.66589	0.1
164.98631	0.1
201.11388	0.2
204.67873	0.2
207.10356	0.2
209.11908	0.8
211.13490	0.2
225.00769	0.3
225.11472	0.3
227.13068	0.2
253.09163	0.2
284.33435	0.1
300.99979	0.2
319.12357	0.3
327.21890	0.2
329.14313	0.1
402.73993	0.1
414.39297	0.1
644.16663	0.2
656.41003	0.2
657.41089	0.1
770.32617	1.2
771.33990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22814	0.2
55.89370	0.2
58.92237	0.2
59.01375	0.5
61.98835	100.0
62.98541	0.2
69.32929	1.9
71.01396	0.5
73.02978	0.2
78.95513	0.2
78.95926	0.8
79.95749	0.8
80.96526	2.9
82.96123	0.3
87.00871	0.3
94.98112	0.7
96.96022	1.5
96.97008	0.5
97.02998	0.2
101.02462	0.4
113.02500	0.2
119.08788	0.2
123.04550	0.2
125.02474	0.6
134.97475	0.2
145.02991	0.2
146.78667	0.2
148.99182	0.3
164.98639	0.5
169.01413	0.2
177.74559	0.2
194.55205	0.2
209.11824	1.1
210.12138	0.2
225.00832	0.9
225.11301	0.2
227.12837	0.2
276.39731	0.3
289.07187	0.2
300.99963	0.3
423.67731	0.2
600.23224	0.3
770.33752	3.1
771.34259	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	769.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98834	82.6
71.01369	2.9
71.49749	1.0
73.02924	1.8
78.95902	1.1
79.01875	1.6
79.95727	2.4
80.96071	1.5
80.96521	14.8
81.03457	1.4
81.95306	2.2
82.96101	13.5
82.96911	1.3
85.06577	2.4
87.00851	1.2
94.98103	2.2
96.97655	2.6
97.02925	1.1
98.20748	1.9
107.05004	4.0
109.02989	1.7
109.06585	4.7
109.54405	1.1
111.04513	1.4
123.04491	3.9
124.01604	1.2
125.02422	3.8
135.04489	2.6
137.02391	1.4
149.02509	1.3
151.04018	11.7
152.01167	1.2
152.04744	4.2
153.04404	1.4
153.05571	13.2
165.01912	2.8
165.05608	1.3
166.98189	1.6
177.01924	2.5
179.03516	9.7
180.04323	16.7
184.03647	1.1
193.05017	4.5
194.05846	7.5
207.06595	12.3
208.07239	2.0
211.13353	2.6
212.03259	1.6
212.13647	2.1
221.08168	1.9
225.00670	2.0
227.00391	1.9
235.09671	2.5
236.10428	1.3
249.11258	2.2
277.21805	1.2
278.22150	1.2
289.14438	5.8
315.15811	2.3
316.16577	2.1
318.18332	1.1
329.17484	3.6
339.23315	2.2
341.24820	9.9
341.28668	1.6
355.18927	2.5
355.22845	1.3
369.20853	1.4
383.22284	81.8
384.22925	36.7
385.23834	100.0
386.24155	13.7
416.21710	2.0
458.48428	1.3
519.27124	3.7
751.39655	1.5
766.52087	1.3
769.41595	38.6
770.42413	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	769.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03449	2.2
58.00586	0.9
58.98683	0.4
59.01377	7.7
61.98835	17.9
69.03456	4.0
69.29325	4.4
71.01387	8.9
71.05032	1.2
71.71255	0.5
72.99299	0.7
73.02950	2.4
78.95883	0.5
80.96530	0.9
81.03461	0.7
83.01397	1.6
83.05025	1.9
85.02958	7.0
85.06571	0.6
86.00082	0.5
87.00877	1.9
89.02447	5.6
89.82539	0.5
93.03501	0.4
95.01371	0.9
95.05016	1.8
96.95994	0.6
97.02965	2.2
97.06566	3.1
98.20587	0.8
99.00858	0.8
99.04488	0.6
101.02448	7.9
107.04995	0.5
109.02959	0.5
109.06593	2.3
111.04525	0.6
111.08167	1.0
113.02463	4.4
119.03492	2.3
123.08182	0.9
125.02415	1.1
125.09742	2.4
127.11272	1.7
135.08174	0.7
137.09715	1.6
143.03462	1.4
145.05070	1.4
149.09727	0.6
151.11284	0.9
153.09235	0.5
153.12851	0.7
155.10776	1.2
155.14424	0.5
157.05128	0.5
161.04585	4.2
161.09627	0.7
163.11313	1.6
165.09154	0.6
165.12840	1.8
167.10776	3.6
169.12372	1.1
171.10280	25.0
171.73779	0.4
172.10597	1.0
177.12848	1.8
179.05597	1.0
179.10800	1.7
179.14407	3.8
181.12386	0.8
183.13904	2.7
185.11864	1.5
193.12218	1.0
195.12244	0.9
195.13910	10.8
196.14233	0.9
197.11841	6.2
199.13434	0.5
201.11363	1.4
205.08797	0.9
205.12350	9.4
206.12634	0.5
207.10272	2.6
209.11826	13.2
210.12222	0.9
211.13402	14.9
212.13741	1.2
221.11882	2.4
221.15399	0.5
222.12170	0.6
223.13397	100.0
224.13727	7.9
225.11349	4.1
227.12894	2.3
229.14449	10.0
230.14809	0.5
235.08235	15.5
235.13373	0.8
236.08585	0.7
239.12865	1.7
245.19017	0.6
247.13382	0.7
250.19653	0.4
253.09297	29.0
254.09596	1.9
265.14349	0.7
267.07449	0.4
287.16684	0.7
289.18011	2.3
291.19730	7.3
292.19983	0.6
301.00131	0.5
305.17676	1.3
307.19147	2.8
309.20724	14.6
310.21060	1.3
325.20087	0.8
327.21774	85.8
328.22134	9.1
459.22440	14.4
460.23358	2.2
533.35199	2.2
534.35199	0.5
543.27521	0.5
545.29999	3.4
563.30743	4.9
564.31671	1.2
751.39050	1.3
769.40375	8.8
770.40680	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43307	0.5
56.65949	0.4
57.03434	0.7
59.01386	4.4
61.98814	0.6
69.55682	3.5
71.01388	9.0
72.99325	0.5
73.02940	0.7
78.95906	0.5
79.16261	0.5
79.95734	0.5
80.02685	1.0
81.03481	1.0
83.01404	0.6
83.05045	4.7
85.02943	1.5
87.00864	1.3
89.02442	2.3
95.01406	0.7
95.05043	1.2
97.02922	0.8
97.06606	1.2
98.20589	0.8
99.00924	1.0
101.02459	2.7
109.02969	0.6
109.06580	1.9
111.04497	0.9
111.08186	4.4
113.02449	1.5
113.39275	0.5
116.92859	0.5
119.03477	0.7
125.02477	1.2
125.06081	0.7
125.09718	0.6
135.08138	1.2
137.09694	0.9
149.09796	0.6
151.07657	0.9
151.11290	0.9
161.04556	1.3
163.11304	4.1
163.42816	0.5
165.12856	2.0
167.10799	1.1
169.12300	1.3
171.10291	11.2
177.12822	0.7
177.31404	0.6
179.05615	0.7
179.10788	2.5
181.12318	1.7
191.10779	0.9
195.13962	1.9
197.11824	2.4
199.09763	0.6
199.13345	0.8
201.11296	3.3
205.08649	0.7
207.10268	2.1
209.11841	100.0
210.12192	6.8
211.13377	1.6
213.11259	0.8
223.09773	2.3
225.11305	4.7
227.12891	12.5
228.13252	0.5
235.08232	3.2
241.14505	1.3
247.20677	1.6
253.09302	8.7
289.18216	0.6
291.19675	47.5
292.20010	4.1
305.17603	2.1
307.19189	1.0
309.20782	2.7
323.18820	0.7
323.22256	2.6
327.22125	1.0
445.21088	2.4
447.84680	0.5
461.20523	0.9
495.47473	0.6
509.27661	0.7
527.28546	4.2
646.56384	0.6
672.36896	0.6
720.39630	0.5
769.40338	3.4
770.40790	0.9
804.38440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19445	0.6
54.47399	0.5
55.01883	1.0
57.03447	1.4
59.01385	7.1
61.98829	4.1
65.37668	0.5
67.01913	0.6
69.03449	3.5
70.06187	2.5
71.01386	8.6
71.05026	2.3
72.99308	1.2
73.02935	1.5
75.00867	1.9
78.95913	0.7
81.03441	0.8
83.05019	1.7
85.02968	3.1
87.00880	1.5
89.02454	2.9
89.84814	0.5
95.01384	1.2
95.05003	0.7
97.02998	0.9
97.06577	1.3
97.88351	0.5
98.20642	0.6
99.00883	1.3
101.02451	4.6
107.46095	0.6
109.06567	1.2
111.00900	0.9
111.04500	0.8
111.08167	4.6
113.02449	4.1
118.51910	0.6
123.08173	1.7
125.02450	0.8
125.09738	2.2
127.07700	0.6
129.04268	0.6
135.08170	0.8
144.74567	0.5
145.04941	0.6
149.09718	0.9
151.11319	3.3
152.01480	0.6
153.12831	1.9
161.04565	1.5
161.09702	3.9
163.11279	1.5
165.12848	1.0
167.63889	0.6
169.12334	2.5
171.10284	7.1
179.10760	6.9
181.12338	0.8
185.11775	0.7
190.32986	0.6
197.11830	99.6
198.12186	6.0
199.13391	1.0
205.08679	0.7
207.10254	2.3
209.11841	14.5
210.12067	0.6
211.13438	3.1
223.09825	2.6
225.11307	3.8
227.12863	2.1
235.08215	1.9
241.10849	4.4
253.09320	5.2
263.20145	0.8
265.18240	0.6
289.18137	1.5
291.19690	1.9
292.19949	0.5
305.17468	1.4
307.19156	1.4
309.20718	4.2
310.21021	0.6
327.21777	0.8
459.18640	1.2
461.20221	0.8
477.19852	2.7
500.52173	0.6
693.64709	0.6
751.40076	1.4
769.40179	100.0
770.40527	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.95230	0.7
57.03461	2.0
59.01381	7.9
61.98833	17.0
65.73502	0.7
69.03458	3.3
69.58492	4.9
71.01385	9.2
71.05038	2.0
72.99317	1.9
73.02961	1.6
75.00869	1.8
81.03468	1.1
83.01396	1.6
83.05032	3.2
85.02944	3.5
87.00906	1.9
87.31345	0.9
89.02467	3.2
95.01412	1.2
95.05010	1.8
96.95993	1.0
97.02966	1.4
97.06586	1.8
99.00879	2.4
101.02457	5.0
109.06598	1.6
111.08177	4.3
113.02454	5.1
119.03517	1.2
123.08163	1.5
125.02442	1.0
125.09734	3.8
135.08151	1.3
136.17542	0.7
151.11272	2.2
153.12862	2.0
161.04562	2.0
161.09769	3.7
163.11310	2.4
165.12827	1.1
169.12343	3.3
171.10298	8.0
179.10814	7.8
181.12320	1.2
185.11894	1.1
195.13855	1.1
197.11838	100.0
198.12225	7.3
199.13422	1.4
201.11403	1.3
207.10243	4.0
209.11832	21.6
210.12170	1.2
211.13431	4.1
223.09775	4.7
223.13371	1.2
225.11302	3.2
226.11824	1.0
227.12926	2.3
235.08243	2.0
241.10854	3.9
247.13512	0.8
253.09290	5.5
261.50238	0.8
263.20105	0.9
287.16513	1.9
289.18115	3.4
291.19675	2.1
305.17477	2.6
307.19101	1.7
309.20767	6.4
310.21207	1.2
322.49573	0.8
325.20340	1.3
327.21698	1.1
344.22861	0.7
459.18863	2.0
461.20395	1.0
477.19766	3.1
751.39185	1.9
769.40167	96.0
770.40546	28.6
776.07001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
56.13169	1.6
57.03444	4.0
59.01381	17.5
61.98848	2.5
66.92189	1.5
67.01872	2.0
68.99821	12.8
69.03469	3.1
70.48052	1.4
71.01389	48.0
71.59357	2.9
72.99323	5.1
73.02953	5.0
80.02678	1.9
81.03464	3.3
83.01398	5.8
83.05037	5.9
85.02953	6.0
87.00890	6.1
89.02458	6.7
95.01375	2.7
95.05013	3.2
97.02951	14.8
97.06583	5.4
99.00909	3.6
101.02445	12.2
109.02956	2.2
109.06604	3.8
110.03765	5.9
111.00920	2.3
111.04533	27.5
111.08180	7.4
113.02446	5.7
119.03514	3.1
123.04536	3.6
123.08163	6.0
125.06065	3.1
125.09721	11.5
135.08212	3.9
137.09731	5.1
139.03970	2.0
145.05083	1.9
149.06123	2.0
149.09660	1.8
151.11288	7.6
153.09216	4.4
155.10747	4.6
161.04590	6.3
161.09755	13.1
163.11319	5.6
165.12862	6.6
165.70079	1.9
169.12292	3.1
171.10281	100.0
172.10579	6.4
177.09210	7.6
179.05595	1.8
179.10796	18.9
181.12375	3.1
183.10239	3.6
185.11847	7.4
193.16002	1.8
195.10332	4.1
197.11823	28.4
198.12209	2.6
199.09761	4.0
201.11337	5.6
205.08694	29.9
206.09059	3.9
207.10211	8.5
209.11845	34.3
210.12097	2.5
211.13367	6.1
213.11295	12.2
221.11847	3.7
223.09764	84.3
224.10037	3.7
225.11374	10.7
227.12894	6.7
235.08170	9.1
241.10855	4.9
247.20819	3.2
253.09277	30.1
254.09599	2.3
273.18805	2.7
289.18112	7.9
291.19684	49.6
292.20035	7.0
305.17633	2.7
307.19141	3.2
309.20718	99.7
310.21072	10.2
323.18442	2.4
407.19189	4.3
419.18927	2.9
441.17538	5.0
459.18665	15.2
460.19437	3.3
461.20193	2.7
477.19403	2.0
545.30023	4.0
751.39191	25.0
752.40027	7.5
769.40161	34.8
770.40863	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	769.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80859	0.6
59.01381	21.3
64.60497	0.6
69.30692	2.5
69.31123	3.1
78.95979	0.5
79.95759	1.9
83.91567	0.5
84.42357	0.6
96.96015	63.0
98.20583	1.0
109.03000	0.9
125.02439	2.5
145.03006	0.7
147.08167	0.9
151.00348	0.5
151.04073	0.7
154.18466	0.6
163.04004	0.6
169.01424	1.6
170.83510	0.7
201.01982	0.7
217.01463	0.7
225.11322	23.5
226.11609	1.9
245.00890	0.8
249.04205	1.1
275.01941	1.3
300.99948	7.9
302.00262	1.5
305.07013	100.0
306.07373	6.8
373.11481	0.8
403.12448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98832	23.0
63.96232	1.8
64.84350	0.6
69.46789	5.4
71.01391	8.2
71.65810	0.6
73.02940	2.4
78.95937	1.0
78.98588	6.0
79.95741	16.7
80.96521	77.7
81.03446	1.1
83.01402	0.8
85.02934	3.3
85.14118	0.6
87.00871	2.7
94.98092	17.5
96.95974	1.5
97.02962	1.8
97.24013	0.6
98.19870	1.1
101.02438	2.3
106.98105	3.7
122.97581	4.1
125.02452	3.4
127.03995	0.7
134.97580	6.5
136.99135	2.1
144.08232	0.7
148.99138	7.2
152.98625	7.5
152.99728	0.9
164.98630	14.1
174.05426	0.8
198.28979	0.7
206.99687	4.4
209.11801	5.8
210.12213	1.6
225.00743	25.3
263.74161	0.7
346.06699	0.7
509.16754	2.3
533.60028	0.7
541.19421	2.0
549.99695	0.7
718.00348	0.7
769.33234	100.0
770.33624	20.2
797.04510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98531	0.2
69.31584	0.3
69.31996	0.8
78.86467	0.1
80.89756	0.1
80.90341	0.1
106.32353	0.1
125.98267	0.1
134.04321	0.1
161.87981	0.1
181.62810	0.1
192.79066	0.1
305.13245	0.1
372.89008	0.1
465.62234	0.1
479.61322	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	768.366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15326	0.1
59.01371	0.1
61.98833	100.0
62.98541	0.2
71.01389	0.3
71.60387	0.1
72.99328	0.1
73.02946	0.1
78.95935	0.1
78.98634	0.1
79.95738	0.7
80.69924	0.0
80.96516	0.5
83.01395	0.1
88.98839	0.1
89.02465	0.1
93.68263	0.1
94.98098	0.8
96.96011	0.2
96.96989	0.1
101.02483	0.1
116.92866	0.1
117.01959	0.1
117.05614	0.1
121.02934	0.1
125.02415	0.2
152.98653	0.1
155.85068	0.1
164.98601	0.1
169.01399	0.1
171.10310	0.1
188.34554	0.1
198.12138	0.1
209.11896	0.2
225.00876	0.2
225.11382	0.1
300.99850	0.1
304.05804	0.1
397.49338	0.0
768.32318	0.3
769.32819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98835	100.0
63.99289	0.1
70.13023	0.1
70.70332	0.3
70.70663	0.1
71.01389	0.4
72.99340	0.1
73.02953	0.3
75.00892	0.2
78.91912	0.4
78.95914	1.6
79.95751	0.4
80.02723	0.2
80.96523	0.3
81.03478	0.2
83.01417	0.2
83.05044	0.3
85.02987	0.3
87.00896	0.2
89.02454	0.3
96.96019	8.1
96.96942	1.6
97.06613	0.2
97.70029	0.1
97.95998	0.1
98.95627	0.6
99.00884	0.3
101.02436	0.3
109.06632	0.5
113.02497	0.2
113.82412	0.1
115.92116	0.2
116.92899	0.1
125.02470	0.2
125.09756	0.2
126.55579	0.1
151.07626	0.2
151.11365	0.2
156.25499	0.1
158.69699	0.1
161.04588	0.2
161.09653	0.1
163.11313	0.4
165.12871	0.2
171.10307	0.9
179.05562	0.2
187.36421	0.2
195.10294	0.2
197.11859	0.3
207.10254	0.9
209.11838	5.5
210.12251	0.1
211.13411	0.3
223.09801	0.2
223.13333	0.2
225.11360	0.8
227.12968	0.6
235.08313	0.3
253.09218	0.7
289.18198	0.1
305.17834	0.3
309.20779	0.3
323.18857	0.6
325.20401	0.4
327.21671	0.3
341.23422	0.5
450.15765	0.2
520.21429	0.2
649.08331	0.1
768.38269	0.2
769.39594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
63.96238	2.4
67.01907	0.5
69.03448	1.2
69.59882	1.0
69.60289	2.6
71.01390	9.8
73.02949	2.0
78.98591	7.5
79.95740	16.4
80.96522	86.1
81.03468	1.0
82.96099	1.0
85.02966	3.5
87.00870	3.6
94.98093	17.7
95.01359	0.9
96.96016	1.5
97.02980	2.8
99.00867	0.5
99.04496	0.6
101.02450	3.1
106.98091	4.2
122.97604	4.3
125.02473	3.8
127.04003	0.9
134.97612	5.8
136.99115	1.4
142.20187	0.6
148.99156	6.6
152.98645	6.2
164.98633	14.4
177.14027	0.6
179.00259	0.6
196.89426	0.9
197.11852	1.6
206.99704	2.5
207.82770	0.5
225.00755	21.1
225.02965	1.2
226.01157	1.1
239.70061	0.6
255.23312	1.8
328.80045	0.7
511.18558	3.0
537.27576	1.3
735.40314	0.8
767.42529	100.0
768.42926	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.94887	0.1
61.98835	100.0
62.98536	0.2
62.99278	0.1
64.35764	0.1
71.01408	0.5
71.01736	0.1
73.01066	0.1
78.95926	0.4
79.95718	0.2
80.96520	0.2
85.03017	0.1
88.98830	0.2
96.96016	2.5
96.96983	0.4
97.12534	0.1
98.19881	0.2
109.06557	0.2
117.05589	0.1
125.02483	0.2
163.11305	0.1
169.01418	0.2
207.10254	0.3
209.11867	0.3
225.11479	0.3
630.75879	0.1
768.35657	0.4
769.33661	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	767.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17810	0.7
63.96244	1.6
69.03463	0.9
70.73999	1.8
71.01388	8.5
73.02959	1.0
74.94707	0.6
77.06570	0.6
78.95875	1.0
78.98593	7.3
79.95744	16.5
80.96522	87.9
81.03452	0.6
85.02956	3.0
87.00890	3.6
94.98096	16.8
96.96043	1.2
97.02959	1.9
99.00877	0.9
101.02443	2.6
102.82845	0.6
106.98087	4.2
122.97585	5.2
125.02440	3.1
134.97594	5.0
136.99142	2.1
148.99124	7.2
149.69424	0.6
152.98650	7.4
164.98636	13.8
167.00110	0.8
188.90417	0.7
188.98637	0.9
196.89490	1.2
197.11780	2.5
206.99713	2.9
225.00754	19.8
226.01108	1.1
227.00584	1.0
255.23358	1.8
256.23669	0.7
271.97983	0.8
327.23816	0.7
377.23724	0.9
381.20700	1.1
383.22366	1.2
511.18530	2.7
537.27490	1.3
601.30487	0.8
647.37622	0.8
767.42499	100.0
768.42859	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	0.2
61.98838	100.0
62.91837	0.1
62.98524	0.1
69.46932	0.1
70.69566	0.3
70.69934	0.2
72.99339	0.1
78.77115	0.1
87.92850	0.1
88.98822	1.1
96.96037	0.2
98.20041	0.2
99.70737	0.1
105.24952	0.1
115.00793	0.1
154.12735	0.1
167.17682	0.1
197.11876	0.2
201.24973	0.1
209.11862	0.3
211.13452	0.2
327.34180	0.1
615.69714	0.1
767.38220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53738	0.3
55.87694	0.3
56.31567	0.3
59.01396	1.5
67.01893	0.7
71.01385	3.0
71.05032	1.7
72.99305	0.5
73.02951	0.8
75.00877	0.3
78.60029	0.4
83.01402	1.0
83.10706	0.3
85.02943	1.6
86.08068	0.4
87.00886	0.6
89.02435	0.4
95.01390	1.0
96.96017	0.9
97.02945	0.7
99.00872	0.4
99.04536	1.0
101.02441	2.0
107.01393	1.5
111.00842	1.6
113.02446	0.9
117.05579	9.5
123.00896	8.0
123.04544	0.5
125.02448	9.5
126.02694	0.4
127.00407	0.5
136.98827	1.1
137.02478	0.5
139.00383	2.7
140.01173	2.5
141.01932	1.2
151.00380	6.8
152.00798	0.6
153.11917	0.3
159.06638	0.4
161.02505	0.7
166.46997	0.4
168.00647	2.6
169.01437	10.3
179.03545	0.5
180.50398	0.3
203.03464	0.6
249.04013	1.3
261.09766	0.6
275.01926	1.0
289.07034	0.5
300.99899	2.5
313.05801	0.5
345.47913	0.4
379.16055	9.4
380.16489	1.3
381.16458	0.4
387.12976	100.0
388.13287	10.0
418.15448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	0.2
66.82436	0.2
69.27483	1.9
69.27881	0.3
79.63880	0.2
83.58038	0.2
96.28613	0.2
103.12618	0.2
108.02143	0.2
125.02509	0.2
129.03445	0.3
133.02950	0.3
134.46153	0.2
145.02933	1.0
151.00363	0.7
157.02945	0.7
163.04007	0.4
163.18079	0.2
173.02364	1.4
175.35796	0.2
177.51993	0.2
178.99854	0.5
185.02455	2.2
189.01938	0.4
199.00427	0.3
201.01929	2.7
217.01405	0.7
226.99852	0.5
229.01428	3.2
242.02196	0.4
245.00960	1.3
254.99376	0.3
257.00879	1.7
259.02444	0.3
270.01553	0.3
271.02527	2.0
273.00299	0.3
283.99622	3.1
287.01840	1.3
299.99133	2.4
300.99890	100.0
302.00220	7.7
316.02228	7.0
317.02820	1.9
376.60513	0.2
431.96008	0.2
463.08826	12.0
464.09125	1.5
589.02252	0.2
614.99823	0.3
710.64905	0.2
765.05981	0.5
765.49658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58673	1.5
57.97554	4.3
59.01381	4.4
60.99306	4.7
61.98837	51.8
69.33068	17.1
72.99300	5.4
83.05033	4.5
84.38024	1.8
88.98825	18.3
96.96011	4.8
125.02460	3.5
141.26675	1.8
165.12749	1.8
191.10861	1.9
195.06447	2.4
209.11845	100.0
210.12221	9.6
227.12915	11.9
253.09296	5.0
258.15323	2.0
451.02615	2.0
512.77209	1.9
625.57813	1.8
765.37567	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	765.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43094	2.5
63.02412	6.6
65.00341	7.2
70.89926	6.3
71.01378	3.1
79.95739	25.1
83.01405	3.9
96.96017	100.0
105.47421	2.4
107.01384	12.1
123.00877	3.6
123.04443	3.0
124.01627	2.6
125.02439	7.8
150.03238	6.6
151.00398	32.4
151.04025	5.9
165.05533	8.3
169.01410	10.0
178.99893	22.0
193.01370	7.4
195.06612	7.5
203.03447	5.0
217.01216	3.2
219.03026	4.9
229.01497	4.0
242.99403	4.6
257.00916	4.4
261.07922	3.5
265.07516	10.3
270.98862	8.5
275.02115	4.7
285.00217	6.6
298.98349	10.1
299.99124	14.4
300.99878	56.0
302.00186	6.9
307.08585	68.3
308.08646	3.5
312.99890	12.0
314.00671	5.5
315.01718	3.5
322.01147	6.1
323.02142	3.3
326.97824	5.8
329.10791	2.7
335.01935	13.2
336.99899	8.1
337.03546	8.7
338.00467	4.8
339.01401	2.8
339.98453	4.4
340.99390	8.5
347.02026	4.4
351.01410	7.1
352.02002	3.1
363.01459	10.2
364.99387	7.7
365.99951	3.3
367.00943	12.6
373.12772	4.2
379.00882	5.2
381.02414	4.6
391.00992	16.0
392.01218	3.3
395.00479	7.4
407.00528	4.1
409.01837	7.2
420.98392	6.6
434.99976	44.2
436.00262	3.3
463.05057	3.4
497.01706	4.1
499.03027	5.7
515.02826	4.0
527.02313	4.7
543.02142	10.0
571.01495	33.4
572.01440	3.9
587.01215	5.6
589.02673	28.9
594.40814	3.5
597.00012	5.0
615.00513	57.8
616.00696	9.9
633.01501	5.2
747.04370	9.2
765.05914	60.9
766.06152	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	764.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93511	0.1
59.01359	0.2
60.99314	0.3
61.98832	100.0
62.98547	0.2
62.99254	0.1
71.01389	0.2
72.99316	0.2
75.00868	0.3
78.20026	0.1
78.95940	0.1
80.96513	0.2
87.00892	0.2
88.98811	1.8
89.02444	0.2
96.48782	0.1
96.96027	0.3
116.92886	0.2
125.02461	0.2
127.58676	0.1
139.04027	0.1
169.01517	0.2
171.10289	0.3
194.00798	0.1
204.92130	0.1
209.11852	0.4
211.13472	0.4
212.13748	0.1
273.17020	0.6
300.99945	0.1
398.13831	0.2
401.38663	0.1
765.35590	0.2
784.62732	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	764.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	0.5
61.98837	100.0
70.16637	0.6
71.01437	0.1
72.99332	0.4
75.00869	0.1
83.36571	0.1
86.63543	0.1
88.98815	4.1
89.99139	0.3
98.19879	0.2
103.62072	0.2
125.02486	0.1
125.81569	0.1
197.11819	0.2
209.11929	0.2
210.12209	0.2
210.62578	0.2
211.13367	0.2
220.99481	0.1
277.52405	0.1
288.38965	0.2
367.25192	0.2
566.78278	0.2
710.90521	0.1
765.35931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04069	0.7
59.01381	19.3
61.98834	8.1
71.01381	0.8
71.61189	0.9
71.61523	0.8
78.95909	24.4
79.95745	0.9
80.02682	1.6
80.96509	4.3
81.03457	2.1
83.01391	1.5
83.05033	9.9
84.02179	2.1
89.25604	0.7
95.05017	1.6
104.38546	0.7
125.02476	1.0
125.06057	1.3
125.09749	1.4
135.08142	1.2
139.04028	0.8
152.99611	3.5
153.05598	1.3
163.11304	6.8
165.12868	4.4
168.04347	7.4
181.12317	1.8
191.10797	2.5
209.11836	94.5
210.12213	6.6
223.13362	2.8
224.06918	6.1
224.93538	0.7
225.00713	1.6
226.12068	1.5
227.12874	14.3
228.13257	1.0
239.74538	0.7
241.14464	17.1
242.14694	0.8
255.23296	78.0
256.23639	7.0
337.68109	0.8
387.32813	0.8
434.19482	1.3
480.31009	4.8
619.36078	2.6
645.38019	1.0
690.43524	100.0
691.43848	23.8
704.45178	10.0
705.45319	2.1
764.39691	5.0
765.40869	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	763.395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73525	0.7
59.01378	1.1
63.96241	1.5
69.03471	0.7
69.46544	1.2
69.46964	4.3
71.01397	8.2
71.01794	1.1
72.44399	0.9
73.02949	2.1
75.16488	0.6
78.98612	6.3
79.95749	14.4
80.96527	81.1
81.03481	0.9
85.02952	2.4
87.00867	2.3
90.98225	0.6
94.98100	18.9
96.96015	1.3
97.02959	1.6
99.00884	1.1
101.02435	2.2
106.98090	2.7
122.97588	4.0
125.02447	2.5
127.04012	1.4
134.97615	4.6
136.99178	0.9
148.99161	6.0
152.98651	6.3
164.98631	13.8
175.92523	0.8
206.99652	3.0
207.10197	0.8
225.00748	19.8
255.23210	1.7
507.15521	2.2
537.27319	1.5
697.49005	0.7
735.41028	1.0
748.48303	0.9
763.39490	100.0
764.26099	1.4
764.39899	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
63.96244	1.7
69.62339	1.8
69.62760	3.0
71.01387	7.8
73.02935	1.4
78.98604	5.6
79.95746	13.0
80.96523	83.7
81.03448	1.6
85.02958	3.6
86.31051	0.7
87.00869	2.9
88.58574	0.6
94.98099	18.8
96.96043	1.5
97.02946	1.7
97.22352	0.7
98.19863	1.0
101.02462	3.4
106.98095	3.6
119.98997	0.7
122.97588	4.6
125.02412	3.5
125.35053	0.7
134.97597	6.1
136.99120	1.8
148.99174	7.8
152.98619	5.5
164.98634	12.7
167.00145	1.3
178.14464	0.7
188.54958	0.6
206.99779	3.8
207.10258	0.8
225.00760	21.3
255.23373	1.9
401.27121	1.8
507.15582	3.9
763.39459	100.0
764.39734	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	763.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
63.96241	2.4
68.68748	0.7
69.72206	3.6
71.01389	9.6
73.02939	2.1
77.91917	0.7
78.98594	8.3
79.95746	14.3
80.96523	83.0
81.03441	0.7
83.51959	0.6
83.62907	0.6
85.02942	3.7
87.00872	3.4
92.32677	0.8
94.98096	19.8
95.01400	0.6
96.95995	0.9
97.02972	1.5
99.00900	0.7
101.02438	2.4
106.98084	3.1
122.97585	3.3
125.02432	3.2
134.97597	5.6
136.99120	1.3
148.99149	6.8
152.98642	6.1
164.98648	13.2
178.45598	0.7
179.00209	0.7
188.98656	0.7
206.99709	2.6
207.10313	1.0
213.92575	0.8
218.58862	0.7
225.00746	21.9
255.23280	2.1
507.15533	2.8
537.27649	1.1
575.33215	0.8
603.45074	0.7
649.14478	0.8
763.39459	100.0
764.39758	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47224	0.2
60.99311	16.6
61.98832	1.1
63.94929	0.1
65.49719	0.2
71.01425	0.2
87.00893	0.6
88.00404	0.9
88.98814	100.0
89.02442	1.7
89.99126	1.0
111.10320	0.1
125.02385	0.2
135.04485	0.2
165.05530	0.2
171.10313	0.2
209.11865	1.5
211.13322	0.2
227.12979	0.3
234.40372	0.2
248.11475	0.2
429.27631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.8
59.01380	12.3
60.99311	4.8
61.98832	65.9
71.01388	10.4
72.99305	6.2
75.00870	6.6
80.96539	2.4
81.03461	3.7
83.05042	5.9
84.02172	3.6
85.02957	3.1
87.00895	8.3
88.00421	3.4
88.98808	36.5
89.02475	6.4
91.32582	2.5
96.96011	20.5
96.96964	2.6
97.03011	4.8
101.02426	6.4
108.41909	2.2
109.06588	20.7
111.31591	2.3
113.02465	5.9
114.05148	2.2
116.92883	2.7
125.02473	6.3
125.09748	2.8
135.04568	5.8
135.08183	2.3
151.00490	2.5
163.11322	12.6
169.01431	2.4
171.10269	16.8
178.65924	2.5
179.03470	2.8
185.11876	3.5
190.58142	2.1
203.81029	2.4
207.10275	57.3
209.11847	100.0
210.12225	5.8
211.13408	16.2
225.11313	22.6
226.11617	2.3
227.12907	14.5
235.08253	3.7
253.09290	9.7
338.73483	2.7
397.13403	4.9
399.21667	6.4
417.22925	5.0
443.19278	2.9
461.20215	4.5
597.18286	3.9
635.30420	17.2
636.31793	2.9
653.31964	19.9
671.32770	19.3
672.32715	6.3
722.81842	3.2
763.31006	3.4
764.39221	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	763.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.3
60.99299	2.8
61.56279	1.6
61.98833	42.7
71.01369	5.8
72.99303	3.6
73.02964	1.8
85.02932	1.7
87.00867	2.7
88.98812	29.5
89.02425	2.6
93.03434	3.4
93.65415	1.6
96.95992	7.3
98.19701	2.7
101.02428	3.8
108.02141	2.6
109.02956	2.1
116.92860	7.4
117.01932	2.4
121.02978	4.1
122.03716	6.4
123.04648	2.8
123.05669	1.8
125.02457	4.1
135.04518	5.7
137.02432	3.1
145.02931	3.8
149.02455	12.0
150.03229	48.1
151.03665	2.1
160.01654	2.1
161.02361	5.6
163.04005	8.3
164.04799	10.6
165.01941	3.3
165.04138	2.8
165.05566	49.4
166.05948	2.4
169.01418	6.2
171.10263	6.4
176.03499	2.3
176.04860	2.2
177.05557	3.2
178.06300	2.1
179.07140	3.2
180.04288	4.1
180.07831	2.0
191.03419	2.1
192.04262	5.1
195.06622	33.1
196.07019	2.8
207.06627	16.6
208.07005	2.6
209.11778	6.7
210.05298	3.6
210.12131	2.4
211.13434	3.0
212.04787	3.6
219.06572	4.5
223.07617	2.7
223.09700	3.3
225.05438	3.4
229.01303	2.3
237.05542	3.7
237.07648	7.3
239.03427	2.3
239.07156	3.0
240.04289	39.7
254.05901	3.0
255.06482	8.7
265.05005	4.2
267.06647	13.3
269.08203	3.5
270.08871	4.0
271.09503	2.9
275.01926	2.5
277.05212	2.2
279.06638	2.2
282.08920	2.4
283.06152	13.8
284.06555	2.9
285.07578	1.9
285.11191	2.9
295.06146	33.3
296.06567	2.0
297.07797	4.4
298.08450	44.5
299.08987	7.0
301.00021	12.4
302.00372	1.8
310.08463	26.0
312.09885	1.9
313.10818	66.0
314.07968	3.1
314.11276	4.6
325.10748	29.4
326.11414	5.6
328.09509	2.9
329.10349	6.4
330.11063	2.3
341.10278	10.8
341.13913	2.7
343.11874	100.0
344.12479	22.4
345.13196	6.3
355.11731	6.7
356.12537	6.3
357.13568	2.4
359.15005	31.0
360.15170	2.4
371.14954	24.0
372.15494	2.6
373.13034	21.3
447.30792	2.1
507.20081	4.0
519.20337	6.2
537.21375	3.7
549.21350	8.0
700.34302	2.3
715.27960	2.8
733.29065	8.6
745.28601	9.9
746.29376	3.0
763.30017	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	763.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.3
60.99299	2.8
61.56279	1.6
61.98833	42.7
71.01369	5.8
72.99303	3.6
73.02964	1.8
85.02932	1.7
87.00867	2.7
88.98812	29.5
89.02425	2.6
93.03434	3.4
93.65415	1.6
96.95992	7.3
98.19701	2.7
101.02428	3.8
108.02141	2.6
109.02956	2.1
116.92860	7.4
117.01932	2.4
121.02978	4.1
122.03716	6.4
123.04648	2.8
123.05669	1.8
125.02457	4.1
135.04518	5.7
137.02432	3.1
145.02931	3.8
149.02455	12.0
150.03229	48.1
151.03665	2.1
160.01654	2.1
161.02361	5.6
163.04005	8.3
164.04799	10.6
165.01941	3.3
165.04138	2.8
165.05566	49.4
166.05948	2.4
169.01418	6.2
171.10263	6.4
176.03499	2.3
176.04860	2.2
177.05557	3.2
178.06300	2.1
179.07140	3.2
180.04288	4.1
180.07831	2.0
191.03419	2.1
192.04262	5.1
195.06622	33.1
196.07019	2.8
207.06627	16.6
208.07005	2.6
209.11778	6.7
210.05298	3.6
210.12131	2.4
211.13434	3.0
212.04787	3.6
219.06572	4.5
223.07617	2.7
223.09700	3.3
225.05438	3.4
229.01303	2.3
237.05542	3.7
237.07648	7.3
239.03427	2.3
239.07156	3.0
240.04289	39.7
254.05901	3.0
255.06482	8.7
265.05005	4.2
267.06647	13.3
269.08203	3.5
270.08871	4.0
271.09503	2.9
275.01926	2.5
277.05212	2.2
279.06638	2.2
282.08920	2.4
283.06152	13.8
284.06555	2.9
285.07578	1.9
285.11191	2.9
295.06146	33.3
296.06567	2.0
297.07797	4.4
298.08450	44.5
299.08987	7.0
301.00021	12.4
302.00372	1.8
310.08463	26.0
312.09885	1.9
313.10818	66.0
314.07968	3.1
314.11276	4.6
325.10748	29.4
326.11414	5.6
328.09509	2.9
329.10349	6.4
330.11063	2.3
341.10278	10.8
341.13913	2.7
343.11874	100.0
344.12479	22.4
345.13196	6.3
355.11731	6.7
356.12537	6.3
357.13568	2.4
359.15005	31.0
360.15170	2.4
371.14954	24.0
372.15494	2.6
373.13034	21.3
447.30792	2.1
507.20081	4.0
519.20337	6.2
537.21375	3.7
549.21350	8.0
700.34302	2.3
715.27960	2.8
733.29065	8.6
745.28601	9.9
746.29376	3.0
763.30017	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	761.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.8
61.98838	16.1
63.18328	1.3
70.48154	1.4
71.05060	2.3
72.16315	1.5
72.61384	1.4
73.46156	1.7
80.96522	2.0
81.03467	7.9
83.01386	1.9
95.05028	5.7
97.02972	1.5
97.82803	1.6
103.62909	1.4
125.02435	3.9
137.82690	1.3
139.04057	9.0
252.93941	1.7
262.91846	1.5
317.24832	20.4
353.60474	1.4
355.26535	10.8
356.26648	2.2
361.23865	100.0
362.24237	16.2
399.25446	95.6
400.25897	10.1
504.03769	1.8
756.41559	1.8
761.38043	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	763.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
57.88540	0.4
58.21879	0.4
59.01384	2.6
65.00321	0.5
66.66612	0.4
67.01880	1.3
69.03454	0.8
71.01391	4.3
71.60007	0.6
72.99291	0.6
73.02946	1.2
83.01382	1.4
85.02940	2.0
89.02433	0.8
95.01376	2.1
96.96007	0.9
97.02961	1.0
99.00861	0.7
101.02442	5.3
107.01410	2.6
109.02956	1.1
110.00060	0.6
111.00923	2.4
113.02476	1.3
123.00895	15.0
124.01726	0.9
124.22365	0.6
125.02456	17.0
127.00481	0.6
133.02890	0.6
136.98822	1.3
137.02408	1.4
139.00383	5.4
140.01189	3.6
141.01938	2.6
151.00392	13.4
151.03955	1.5
152.00742	0.6
153.01932	0.8
161.02367	1.0
163.04041	0.5
168.00699	3.6
169.01440	21.1
170.01868	0.8
175.03976	0.6
176.76512	0.6
177.01933	0.7
203.03496	0.7
211.02408	0.8
229.01427	0.6
249.04028	1.9
271.04581	2.3
275.01929	1.6
289.07190	1.7
290.07593	0.7
300.99911	6.2
302.00061	0.7
308.07733	0.6
313.05585	2.3
359.09839	68.2
360.10193	5.4
403.12454	100.0
404.12796	10.1
417.10248	1.3
437.90396	0.5
466.02811	0.6
586.54956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
63.96242	1.6
66.35049	0.5
69.03482	0.5
71.01384	7.6
71.41695	0.8
73.02950	2.1
76.57540	0.5
76.64494	0.6
78.98600	6.7
79.95747	13.6
80.96525	78.8
81.03499	0.6
85.02958	2.9
87.00895	2.9
94.98096	18.5
96.96033	1.3
97.02966	1.4
99.00909	1.2
99.97296	0.6
101.02457	2.2
106.98108	3.3
122.97605	3.7
125.02464	3.6
127.04014	1.1
133.05643	0.5
134.97615	6.0
136.99104	1.0
148.99162	6.3
149.10883	0.5
152.98653	7.4
161.26030	0.6
164.98645	14.8
165.98927	0.7
167.00250	0.5
206.99680	2.9
223.13310	0.7
225.00763	22.7
225.02986	1.1
230.71864	0.5
255.23203	1.9
505.17523	3.3
506.17889	0.9
537.28137	1.3
761.41547	100.0
762.41925	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	761.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	7.8
63.96243	1.5
64.97043	0.8
69.74805	1.3
69.75207	4.7
71.01393	8.3
72.02083	0.6
73.02937	1.7
78.30622	0.7
78.98603	6.1
79.95745	13.7
80.10424	0.7
80.96522	77.5
85.02985	3.9
87.00868	3.4
94.98092	16.5
96.96011	1.8
97.02951	2.3
101.02435	2.9
105.31021	0.7
106.98084	3.4
107.54942	0.7
122.97620	3.8
125.02433	2.7
127.04020	0.7
127.64121	0.7
134.97594	6.0
136.99132	1.4
148.99171	7.1
152.98636	5.7
164.98633	13.6
206.99663	3.0
225.00739	17.4
255.23250	1.9
261.36789	0.7
477.74536	0.8
505.17621	1.8
520.26636	0.8
537.27112	1.5
560.59583	0.8
761.41528	100.0
762.41809	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	761.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54076	1.0
57.03444	1.7
69.03481	1.1
70.06863	3.1
70.07273	2.0
71.05005	3.5
78.95923	0.9
79.37888	1.0
81.03442	2.3
83.05015	3.6
85.02942	2.3
89.22823	1.0
96.79217	1.1
97.06583	1.2
99.04508	7.8
109.02948	4.0
113.02445	1.3
123.04507	2.0
125.02438	3.5
125.06078	1.4
127.04006	15.2
133.07977	1.2
137.02446	1.9
139.04008	1.3
151.03992	3.0
152.04741	1.1
153.05592	1.7
167.03442	2.9
169.05038	2.9
301.21774	3.4
319.33286	1.1
342.86597	1.2
343.26276	1.2
355.19196	3.5
369.09070	1.3
369.24478	6.8
370.24817	4.2
373.23837	3.6
383.25775	1.2
385.27417	3.9
387.25613	3.1
405.26398	6.8
411.25449	2.4
429.26437	100.0
430.26877	18.3
430.79453	1.2
761.38965	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	761.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
63.96228	1.5
69.03443	0.5
69.51261	3.9
71.01389	8.7
73.02950	2.2
78.98596	7.4
79.95741	14.1
80.32040	0.6
80.96521	83.7
81.03455	1.3
85.02976	3.7
87.00879	2.8
94.98093	17.3
96.96014	1.3
97.02938	2.1
99.00929	0.9
101.02431	2.6
104.26235	0.6
106.98109	3.6
122.97602	4.6
124.79226	0.5
125.02419	3.6
127.04044	0.6
134.96780	0.5
134.97610	5.6
136.99139	1.8
148.99167	7.4
152.98627	6.8
164.98637	13.2
165.98958	0.6
188.00406	0.6
206.99722	3.4
223.13394	1.2
225.00749	19.7
255.23276	1.5
270.50897	0.6
283.04865	0.7
413.34421	0.6
505.17371	2.3
537.27380	1.5
761.41516	100.0
762.41876	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
59.01383	6.3
60.99284	1.6
61.98832	11.7
69.03447	2.0
69.37228	1.7
69.37635	5.4
71.01395	7.2
72.99319	1.5
73.02927	2.4
75.32774	0.8
77.58241	0.8
78.95928	1.3
83.01357	1.5
83.05056	2.1
85.02946	7.1
87.00886	1.8
88.98810	10.1
89.02428	3.3
95.05042	1.3
96.96013	2.1
97.02947	1.4
97.06602	5.2
98.20586	1.7
101.02442	6.7
109.06576	1.1
113.02453	3.0
116.24606	0.8
116.92856	3.1
117.01960	0.9
117.05594	1.4
119.03518	1.0
123.00924	1.0
125.02436	1.9
125.09754	1.6
127.11363	1.2
135.04538	1.2
137.09709	1.4
149.09660	0.9
151.11287	12.4
161.04526	1.9
165.21419	0.8
169.12349	67.3
170.12750	4.9
171.10298	15.5
179.03386	1.2
181.12329	1.0
183.13957	2.1
185.11728	1.3
195.10335	1.4
196.52280	0.7
197.11790	2.9
199.09865	1.1
201.11313	2.0
207.10316	1.9
209.11845	2.9
211.13422	12.0
213.11333	9.2
221.11874	1.3
225.11397	1.2
229.14404	6.2
235.08199	1.1
253.09193	4.5
254.09567	1.2
263.33493	0.9
271.02164	1.0
291.19669	1.4
309.20569	0.9
327.21786	15.4
328.22086	2.0
341.23242	1.2
383.71091	0.8
449.20172	3.9
466.05319	0.9
516.06195	0.8
645.67896	0.8
655.34192	0.9
759.41760	100.0
760.42108	29.0
770.70636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
60.99311	17.8
61.98835	3.6
71.01377	0.5
71.61064	0.2
72.99326	0.2
73.02930	0.2
74.64351	0.2
75.00863	0.3
78.95950	0.3
83.05089	0.2
83.30787	0.2
85.02953	0.2
87.00887	0.6
88.00417	0.9
88.98814	100.0
89.02444	2.9
89.99146	0.8
96.96022	0.5
113.02480	0.2
116.92858	0.8
117.05603	0.3
125.02436	0.6
135.04514	1.6
140.62759	0.2
151.00392	0.3
163.11203	0.2
169.01611	0.2
171.10246	0.3
175.02693	0.2
176.03513	0.5
179.03508	0.9
201.11401	0.8
209.11859	1.7
211.13483	1.2
225.11179	0.3
228.97128	0.2
253.09232	0.3
417.16000	0.3
534.54999	0.2
540.69128	0.3
761.30750	0.5
762.30151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
61.98841	9.1
68.41454	0.9
69.03449	1.4
69.54901	6.5
69.94767	1.0
70.86924	1.1
71.01387	4.7
72.99321	2.3
78.95922	1.3
79.53178	1.0
80.96544	1.9
83.01426	1.3
83.05029	4.2
84.13638	1.1
85.02970	1.7
86.65373	1.1
87.00885	8.0
88.00404	2.3
88.98817	5.0
89.02460	4.2
95.05063	1.4
96.96046	1.5
98.19868	1.2
101.02438	2.4
105.01941	1.1
106.91031	1.0
113.02480	2.1
116.92846	1.5
125.02438	1.6
125.03724	1.1
155.64011	1.1
161.04530	1.7
163.11307	2.9
165.12827	2.1
167.10771	1.9
170.39133	1.3
171.10245	4.0
179.14394	1.9
185.11792	1.1
191.10780	1.2
194.35220	1.0
195.13962	6.1
197.11848	3.9
205.12302	4.9
209.11853	100.0
210.12152	7.4
211.13470	2.9
223.13416	68.0
224.13661	6.8
225.11278	1.8
227.12929	17.7
235.08226	4.5
253.09337	8.3
260.87009	1.5
277.75284	1.1
329.22552	1.2
445.20718	3.5
451.64700	1.2
459.22318	8.6
460.22421	2.0
646.66437	1.3
651.33954	3.0
761.31458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
60.90149	0.3
60.99312	16.4
61.98833	2.2
63.08354	0.3
69.61884	1.7
71.01385	1.1
73.02962	0.4
74.51722	0.3
75.00910	0.4
78.95930	0.5
80.96515	0.4
83.05016	0.4
83.34664	0.3
85.02947	0.6
87.00890	1.3
88.00404	1.3
88.98813	100.0
89.02450	3.7
89.99152	1.7
96.96035	0.4
101.02438	0.9
116.92877	2.4
117.05585	0.4
124.92758	0.4
125.02442	0.7
160.15382	0.3
163.11299	0.3
165.01974	0.4
166.77388	0.3
169.01411	0.3
169.12347	0.6
171.10258	1.4
185.11845	1.0
197.11816	3.3
207.10286	0.4
209.11830	4.0
210.12305	0.5
211.13428	2.0
212.13768	0.4
213.11357	0.8
223.13344	0.8
227.12917	0.6
229.14447	0.4
235.08321	0.4
235.13536	0.3
252.62254	0.4
253.09283	1.1
253.17993	0.3
309.20731	0.6
327.21887	1.4
328.22186	0.3
341.23315	0.5
347.98566	0.4
370.15915	0.3
424.43329	0.3
637.32526	0.3
649.34753	0.4
759.32324	0.4
759.42798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20754	3.4
58.52942	3.0
69.02278	2.9
71.01405	3.9
78.95899	8.2
83.05058	3.4
96.96026	4.1
125.02451	9.6
131.69629	3.6
152.99641	5.4
168.87662	3.4
174.58633	4.1
182.68274	3.5
209.11836	66.7
210.12106	4.0
227.12834	12.0
228.13135	3.7
235.08195	11.1
253.09247	8.0
277.21732	100.0
278.22025	9.6
311.22250	5.0
326.17050	4.4
353.19974	9.2
445.95786	3.6
447.21259	5.2
513.30566	4.1
547.33130	3.4
759.41290	24.1
760.40308	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.00599	0.4
59.01385	4.7
60.10574	0.4
61.98836	2.4
69.03443	0.7
69.49847	2.0
69.50263	1.1
71.01381	4.8
73.02953	0.7
78.95903	0.4
79.84882	0.4
80.02685	1.2
80.79852	0.5
81.03463	1.5
83.01423	0.7
83.05029	5.0
84.02186	1.0
85.02960	1.2
87.00893	0.7
89.02437	2.8
93.03457	0.6
97.06590	0.5
99.08165	1.4
101.02441	3.2
111.08161	1.4
113.02454	2.3
113.09731	1.8
116.92873	1.4
119.03508	0.8
125.02550	0.6
129.09207	3.3
135.08223	0.6
137.38745	0.4
143.03523	0.5
151.11324	0.6
153.12836	0.9
161.04549	1.9
163.11284	2.9
164.11562	0.4
165.12921	2.2
166.13249	0.6
169.12331	1.5
171.10258	1.7
181.12366	3.8
183.13933	2.1
185.11917	0.5
191.10887	1.0
193.12369	0.8
195.14008	0.4
197.11853	8.9
198.12134	1.2
199.13425	3.4
201.11359	1.4
205.60477	0.4
207.10179	0.5
207.17537	0.5
209.11835	100.0
210.12181	9.6
211.13434	16.5
212.13742	1.4
225.11446	1.0
227.12892	12.1
228.13120	1.1
235.08185	2.5
253.09306	16.3
254.09642	1.5
260.26154	0.5
275.20108	1.0
291.19720	1.3
292.20010	0.7
293.21234	12.1
294.21530	1.4
295.22647	0.6
309.20712	1.6
310.21106	1.3
311.22287	75.1
312.19333	0.8
312.22653	8.6
327.21622	1.2
400.96527	0.4
445.20630	0.6
503.33789	1.0
521.34802	1.1
547.31348	2.5
677.88019	0.5
757.42010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00597	0.7
59.01382	5.2
61.98826	2.4
69.03445	0.6
69.35426	3.9
71.01380	4.8
73.02944	1.2
75.43047	0.5
78.95905	1.4
80.02679	1.0
81.03461	1.3
83.01398	0.6
83.05026	4.2
84.02171	0.7
85.02956	1.2
87.00908	1.0
89.02474	3.5
95.05051	0.8
99.08164	1.5
101.02447	3.9
111.08167	0.8
113.02474	2.2
113.09733	1.3
116.92857	1.0
119.03486	0.5
125.02424	1.0
125.06140	0.6
125.09764	0.9
129.09230	3.1
143.03464	0.8
151.11279	1.3
153.61713	0.5
161.04616	1.8
163.11302	3.9
165.12860	2.8
167.10788	0.7
169.12344	4.7
170.12717	0.6
171.10233	1.4
179.05650	0.6
179.10832	1.0
181.12364	3.3
183.13940	1.5
191.10735	0.9
193.12364	1.2
197.11826	7.9
198.12170	0.8
199.13478	3.1
200.13655	0.5
209.11842	100.0
210.12178	11.1
211.13475	13.7
212.13734	1.0
213.11247	1.1
223.13533	1.0
225.11426	0.6
227.12906	13.5
227.15123	1.0
228.13205	2.1
235.08224	3.3
253.09302	20.6
254.09679	1.9
255.12267	1.1
275.20209	0.8
289.18100	0.7
291.19806	1.3
292.19827	0.5
293.21219	9.3
294.21487	1.8
295.22781	2.1
309.20694	2.5
310.20993	1.9
311.22296	76.0
312.22632	9.0
316.70187	0.5
327.21811	0.8
328.25540	0.5
445.20825	0.9
449.19778	0.5
503.33911	1.2
547.31219	2.4
548.31494	0.7
757.41266	1.1
758.42816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.6
59.78915	0.6
65.00325	1.3
77.61402	0.6
81.03464	7.5
81.53491	0.7
83.00901	1.0
83.01398	17.5
92.92796	0.6
99.75409	0.6
107.01392	1.7
111.08119	0.6
114.56837	0.6
121.02975	2.4
122.03750	0.6
123.04569	2.9
125.02460	100.0
126.02795	2.9
130.03204	0.6
149.02470	3.2
151.00383	2.3
163.35362	0.7
167.03517	3.6
171.51471	0.6
231.17474	1.0
251.06535	0.6
273.18674	5.1
313.21750	5.8
314.22116	0.8
326.27823	0.6
329.99792	0.7
339.19009	0.9
357.20731	49.8
358.21115	8.2
399.21762	33.7
400.22211	5.8
757.41528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.2
61.98835	50.8
69.36100	9.4
69.36529	6.0
71.01387	24.1
71.05035	2.4
73.02939	2.0
83.05046	4.2
88.98813	3.2
95.05045	2.3
96.96027	4.6
97.02991	2.6
99.00874	7.6
101.02445	4.6
105.48351	1.8
109.06590	8.4
125.02491	2.7
125.09732	3.2
134.83682	1.6
140.57703	1.6
163.11252	11.2
169.17905	1.9
171.10245	8.4
181.12427	10.9
185.11852	2.7
199.13466	9.5
207.10297	38.2
209.11850	100.0
210.12177	13.5
225.11328	53.0
226.11705	2.9
227.12907	24.2
235.08243	6.7
243.12418	13.7
244.94275	1.9
253.09340	14.8
254.09464	2.2
275.14828	2.4
327.21640	4.0
328.22186	3.2
329.22458	3.3
399.22159	2.1
461.20377	18.1
462.20651	2.2
479.21451	13.0
596.17920	1.8
602.37994	1.9
635.30646	6.1
648.15387	2.1
653.31329	8.9
671.33154	12.0
672.33234	5.6
689.34015	21.5
690.34424	6.5
721.37390	8.6
722.36786	2.1
757.34277	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	757.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98517	1.8
61.98834	25.1
71.01382	12.6
73.02943	1.9
80.02681	1.7
81.03487	2.9
83.05027	4.5
84.02168	1.4
85.02937	1.3
87.00923	1.2
88.98787	1.8
89.02460	2.4
96.96028	4.5
97.02959	3.0
99.00893	1.9
101.02450	4.5
106.04260	1.2
109.06602	14.8
110.86708	1.0
113.02426	2.0
125.02467	1.7
135.08153	2.3
142.02748	1.4
143.03479	1.6
163.11302	10.4
165.09067	1.2
165.12842	1.8
170.22585	1.2
171.10271	3.4
181.12315	2.9
185.11786	1.6
189.09090	1.5
199.09630	1.5
201.11333	1.9
207.10280	47.9
208.10594	2.7
209.11848	100.0
210.12212	7.9
211.13359	1.3
225.09184	2.1
225.11334	26.7
227.12915	17.8
235.08264	3.1
249.11288	1.5
253.09303	13.6
254.09648	1.3
273.17361	2.1
300.99835	1.3
303.44656	1.2
399.21732	3.5
417.22897	2.4
461.20273	11.5
462.21182	1.5
466.44470	1.1
635.30597	4.9
636.30646	1.2
653.32080	5.4
669.64453	1.7
671.32990	11.1
672.33502	4.6
704.36261	1.8
757.34833	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
59.01392	1.4
59.09031	0.9
61.98834	9.0
65.00324	1.5
69.49597	6.1
69.50000	1.7
71.05012	3.7
79.01894	1.7
81.03451	4.4
83.01402	1.0
95.01389	2.9
95.05045	7.2
97.02918	1.4
98.19872	1.7
100.92153	1.0
107.01369	1.7
122.03787	1.2
124.01659	3.6
125.02460	6.0
135.04524	1.3
139.04050	9.2
151.00375	4.2
152.01138	2.6
165.01955	2.0
166.02750	4.7
179.03506	3.3
180.04251	2.0
193.05083	1.9
235.09714	2.1
299.26108	1.1
327.23355	10.9
328.23407	1.4
339.23340	5.9
353.21454	1.1
371.22269	100.0
372.22675	14.0
383.22284	79.8
384.22635	10.8
684.89252	1.1
743.03223	1.2
755.40735	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	757.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
69.28187	0.3
69.28499	3.2
69.99922	0.3
71.01357	0.5
71.04986	0.4
76.45023	0.3
77.65162	0.3
79.95741	29.3
85.12104	0.3
87.04517	1.2
95.95261	1.6
96.96015	100.0
97.95899	0.4
99.00850	0.4
107.06553	0.3
111.08163	1.2
125.02421	0.3
125.94669	0.3
127.85253	0.3
130.56184	0.3
169.01410	0.3
183.13892	0.8
206.06174	1.3
207.06799	0.5
218.22336	0.3
227.12881	5.7
238.05206	0.6
271.02252	0.4
284.41562	0.3
289.07401	0.5
300.99786	1.9
307.08569	81.7
308.08939	7.3
316.02237	0.6
540.78314	0.3
727.77356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97219	0.9
59.01380	8.5
63.04969	0.9
68.99818	1.0
70.04475	3.5
71.01391	9.2
72.99300	2.1
73.02959	1.2
75.00887	8.2
76.21274	0.8
85.02952	13.1
87.00885	2.4
89.02460	1.9
93.03477	1.1
95.01399	3.5
96.96004	4.4
98.20541	1.0
99.00880	5.6
113.02438	11.1
115.00413	1.2
116.70235	0.9
117.01941	2.0
121.02963	52.7
122.03268	1.9
129.84953	0.8
175.02521	2.0
191.49759	0.8
231.05083	3.2
249.06158	32.5
250.06535	1.8
278.41321	0.9
307.08548	3.7
353.08600	1.6
371.09827	100.0
372.10120	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72255	9.2
65.69315	10.0
65.96452	9.3
68.35193	9.1
69.41017	79.3
73.05852	9.5
80.96514	20.4
82.96082	17.5
92.44399	10.3
103.97614	9.1
124.01671	12.6
125.02477	13.1
126.97121	11.1
138.03165	13.3
139.04045	16.6
152.01111	16.8
163.61263	9.5
166.02669	19.9
179.03517	22.8
195.21233	9.7
201.69844	9.5
251.09904	10.4
371.22302	97.5
383.22180	100.0
384.22455	11.7
397.23730	11.3
755.40649	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99624	1.3
60.93711	1.4
73.72739	1.4
78.95914	1.7
79.93423	1.4
80.96503	3.4
85.06596	2.5
92.73547	1.3
93.46884	1.3
98.20782	2.8
98.58324	1.4
106.17941	1.3
109.06605	2.0
111.04532	3.3
117.83684	1.4
125.02444	4.1
125.57745	1.4
135.04526	3.2
153.05586	16.9
179.03481	2.3
180.04250	3.3
194.05859	2.8
341.25021	3.1
369.20581	2.2
385.23883	100.0
386.24268	10.6
386.75977	1.5
429.49878	1.8
448.47604	1.4
755.41150	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	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
58.00591	1.3
59.01392	14.7
69.03446	2.1
71.01388	25.6
72.99275	1.8
73.02942	5.1
80.02652	2.0
81.03458	2.1
83.01410	2.6
83.05037	7.7
83.73714	1.2
84.02168	2.2
85.02969	4.6
87.00875	3.9
89.02450	4.7
95.05017	4.4
97.02975	3.3
97.06598	3.8
99.00872	2.4
101.02454	9.0
102.10973	1.6
109.06599	10.9
111.08176	3.0
113.02453	6.9
117.57333	1.4
119.03458	1.4
119.04897	1.6
121.10172	2.7
125.02441	3.2
125.09713	5.6
127.11324	3.2
135.08186	3.1
135.16599	1.5
137.09782	1.6
143.03542	2.1
151.11285	2.8
155.10767	3.0
161.04552	5.2
163.11295	15.9
165.12828	5.5
167.10744	2.2
171.10295	75.7
172.10680	3.1
179.05693	1.6
179.10709	2.5
181.12329	6.3
183.13943	2.4
185.04340	1.8
185.11829	4.8
189.09222	2.2
191.10744	2.3
195.13963	4.5
197.11835	6.0
199.13425	3.3
200.97279	1.3
201.11327	36.8
207.10304	25.1
208.10643	2.1
209.11841	100.0
210.12199	19.8
211.13364	4.9
215.12773	2.0
223.13350	3.9
225.11334	49.8
226.11676	2.4
227.12910	19.1
228.13167	3.5
229.69815	1.4
235.08205	9.6
243.12358	2.4
244.39977	1.5
245.19128	1.5
253.09308	27.5
254.09596	3.1
263.20151	2.6
275.20203	14.3
282.42831	1.6
289.17978	2.6
291.19659	29.0
292.20111	3.2
293.21237	75.7
294.21524	9.4
295.10236	2.3
307.19135	6.1
308.19431	6.4
309.20648	13.9
310.21140	1.7
443.19336	2.6
445.20773	1.7
446.20920	2.4
461.20407	8.6
462.20850	2.4
479.21307	1.6
737.40607	7.5
755.42010	6.5
776.10864	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
56.57497	0.2
58.00607	0.3
59.01381	2.6
69.03443	0.3
69.48384	1.6
71.01386	2.7
73.02956	0.5
80.02681	1.0
81.03454	0.9
83.01411	0.3
83.05026	4.6
84.02163	0.7
85.02956	0.5
87.00880	0.7
89.02439	2.0
95.05019	0.4
97.02955	0.3
98.20554	0.6
101.02453	2.1
103.87294	0.3
111.08162	3.7
112.08475	0.2
113.02442	1.5
119.03530	0.5
125.06090	0.5
125.09693	0.3
127.07611	0.3
135.08159	0.5
136.01941	0.3
143.03503	0.3
145.05043	0.3
161.04553	1.1
163.11317	3.3
165.12845	2.1
169.12392	1.4
181.12341	1.0
191.10786	0.9
192.80089	0.3
197.11841	18.6
198.12216	1.2
199.13390	1.1
209.11833	100.0
210.12177	6.6
211.13396	3.1
212.13680	0.3
227.12894	10.1
228.13251	0.8
235.08205	3.7
253.09296	11.4
254.09822	0.5
257.32571	0.3
263.20132	1.3
265.18091	0.5
273.18738	0.4
291.19696	6.1
292.20032	0.9
309.20721	25.9
310.21078	3.0
428.64029	0.3
445.20804	1.0
519.32318	0.3
545.29614	0.4
746.74268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03428	0.3
58.00602	0.4
59.01388	3.0
61.98847	0.3
64.79362	0.3
67.54140	0.2
69.03458	0.6
71.01379	2.8
73.02960	0.5
78.28659	0.3
80.02683	0.9
81.03460	1.1
83.01382	0.5
83.05025	4.6
84.02174	0.7
85.02956	0.8
87.00872	0.6
89.02442	1.9
95.01383	0.3
95.05054	0.7
97.02924	0.5
98.20628	0.8
99.00847	0.3
101.02455	2.8
109.06620	0.6
111.08163	5.8
113.02443	1.6
119.03504	0.5
125.06115	0.5
127.07655	0.4
135.08182	0.6
143.03487	0.3
145.05095	0.5
151.11272	0.4
153.12901	0.4
157.11069	0.3
161.04524	1.4
163.11293	3.3
165.12840	2.4
166.13168	0.3
169.12364	2.4
171.10251	0.8
173.75148	0.3
179.05600	0.5
179.10695	0.4
181.12486	1.2
183.13861	0.4
191.10797	1.0
197.11839	29.6
198.12163	2.0
199.13432	1.7
209.11838	100.0
210.12163	6.3
211.13425	4.0
227.12897	11.8
228.13245	1.1
235.08282	3.0
253.09297	11.5
254.09703	0.6
263.20163	1.1
264.20441	0.3
265.18127	0.7
273.18668	0.6
291.19675	10.1
292.19907	1.3
293.21185	0.4
294.21915	0.3
309.20734	32.4
310.21057	3.5
433.20523	0.3
445.20566	0.5
545.29767	0.5
546.51929	0.3
570.11835	0.3
755.41382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01389	3.6
61.98834	4.3
67.01886	0.7
69.03473	0.5
70.35065	1.0
71.01387	3.3
73.02954	0.8
79.95761	0.5
80.02676	1.3
80.96524	0.4
81.03461	1.5
83.05025	4.0
84.02177	0.8
85.02936	0.5
87.00886	0.6
89.02451	2.1
95.05017	0.7
96.96000	0.7
97.06628	0.7
98.19995	0.4
101.02468	2.9
101.40160	0.4
109.06594	0.3
111.08169	1.7
113.02447	1.5
116.92864	0.4
120.15111	0.3
121.10262	0.9
123.08170	0.5
125.06094	0.4
125.09732	1.5
127.11288	0.5
135.08176	0.7
135.11880	0.4
137.09729	1.5
143.03517	0.3
148.50615	0.3
153.12816	0.4
158.89622	0.3
161.04581	0.9
163.11305	3.6
165.12881	2.2
167.10806	0.5
167.14377	0.4
171.10281	24.5
172.10658	0.9
177.12891	0.5
179.05589	0.4
181.12376	0.6
185.11845	1.7
191.10837	1.0
195.13943	1.4
197.11891	1.6
199.13397	0.6
207.13885	0.4
209.11853	100.0
210.12199	7.0
211.13412	21.2
212.13737	1.5
223.17076	0.6
227.12903	16.1
228.13264	1.4
233.15378	0.6
235.08273	3.0
247.20773	0.6
251.16510	3.5
253.09302	9.1
273.18817	0.6
291.19675	31.0
292.20047	3.6
309.20746	4.8
310.21143	0.9
332.82211	0.4
407.19168	0.9
445.20966	1.7
446.21115	0.4
463.21814	0.7
509.27365	0.5
527.28619	2.5
623.04541	0.3
639.33899	0.4
657.34460	0.4
719.39410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01375	2.9
60.99304	0.8
61.98844	5.8
63.96226	1.6
65.65477	0.6
69.03457	0.8
69.27283	7.3
71.01387	8.9
73.02949	2.3
78.98595	6.5
79.95741	14.8
80.96523	79.5
81.03440	1.6
85.02950	3.0
87.00873	3.7
88.98838	4.2
89.02440	1.1
94.97553	1.4
94.98101	18.2
96.96031	5.6
97.02935	1.8
98.95554	1.3
101.02434	3.8
106.98083	3.1
109.02971	0.8
122.97593	4.0
123.04506	0.8
125.02470	8.3
127.04025	1.0
133.02893	0.8
134.97580	6.2
136.99088	1.8
148.99127	6.7
151.04005	1.2
152.98676	7.3
163.11212	0.7
164.98628	14.0
169.01402	2.3
179.82674	0.7
181.05003	1.0
196.57056	0.7
201.11308	2.3
206.99644	3.4
209.11821	4.6
225.00758	29.5
241.14511	1.0
300.99817	1.7
317.02914	1.1
325.07483	0.7
396.08597	0.8
483.15445	1.6
509.17090	3.2
527.17493	1.9
549.27380	0.9
593.25830	1.0
711.28607	4.6
712.28613	1.2
755.31683	100.0
756.32080	25.6
756.45697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
58.00601	0.6
59.01382	5.5
67.01913	0.4
69.03458	0.6
71.01386	6.9
72.99292	0.4
73.02952	1.1
77.71396	0.3
80.02688	1.4
81.03460	1.4
83.01370	0.4
83.05035	5.6
84.02167	0.8
85.02955	1.4
87.00857	1.0
89.02457	2.7
93.03436	0.6
95.05036	1.0
97.02984	0.4
97.06592	5.3
98.19927	1.0
101.02454	4.6
106.04253	0.4
107.05058	0.8
109.02969	0.6
109.06600	1.3
111.08147	1.2
113.02449	2.4
119.03499	0.4
123.04549	0.7
123.08150	0.7
125.02482	1.0
125.09724	1.4
135.08162	1.3
137.09727	0.6
143.03445	0.5
145.05077	0.7
147.08208	0.4
149.09695	0.8
151.11307	3.8
153.09189	0.6
153.12849	0.8
155.10777	1.4
161.04575	1.6
163.11293	5.4
165.12859	7.5
166.13199	0.6
167.10747	1.2
169.12317	1.1
170.12793	0.4
171.10266	2.2
177.12929	0.9
179.10789	1.4
181.12349	5.1
183.13899	1.3
191.10776	2.8
191.14438	1.5
197.11832	1.6
205.12318	0.8
207.10266	2.2
209.11841	100.0
210.12166	7.2
211.13423	2.5
223.13379	0.5
224.10304	0.4
225.11322	1.7
227.12897	16.7
228.13264	1.5
235.08221	3.9
245.19064	4.7
247.13324	1.0
249.14949	0.4
251.13167	0.5
253.09303	8.4
261.18689	0.6
263.20169	9.6
264.20609	1.0
265.14520	0.4
271.17062	1.5
279.19669	1.2
289.18100	11.3
290.18494	1.1
291.19653	0.6
301.16681	0.4
307.19162	33.4
308.19473	4.1
309.20755	1.1
419.24509	0.5
445.20782	7.4
446.21194	0.9
460.19641	0.8
525.26990	1.3
535.77582	0.4
543.28076	6.2
544.28589	1.3
577.20367	0.4
637.32416	0.9
655.33276	1.4
735.39642	1.3
753.40564	1.0
754.40747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87385	2.1
61.98817	2.5
65.00331	1.9
71.01406	2.2
71.61457	3.4
78.95906	8.8
79.95748	4.6
80.96518	23.8
81.03461	4.8
83.01401	2.6
88.05912	1.8
94.98083	6.9
124.01631	2.9
125.02451	8.0
152.01147	4.0
164.98616	5.2
166.02654	2.1
184.47096	2.1
196.89531	3.0
225.00731	10.1
255.23335	4.5
339.23233	7.1
369.05920	2.4
383.22302	100.0
384.22797	11.1
673.42908	2.1
709.37531	4.3
753.24908	3.3
753.40802	46.6
754.24127	2.4
754.41321	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	753.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
56.73363	0.6
57.03459	1.4
59.01384	9.5
61.98837	2.8
69.03471	1.3
70.07777	2.6
71.01391	6.9
73.02950	1.9
75.00892	0.8
78.98383	0.5
79.73695	0.7
80.02694	1.7
81.03463	3.3
83.01404	1.1
83.05029	5.9
84.02201	0.8
85.02961	1.9
87.00899	1.3
89.02447	3.9
93.03466	0.8
95.05057	1.2
97.02971	4.1
97.06596	2.8
98.20611	0.7
99.00926	0.8
101.02455	5.7
107.05029	0.8
109.03017	0.6
109.06599	19.0
109.07342	1.3
110.06969	0.6
111.08134	3.8
113.02474	4.5
119.03514	1.0
121.06610	1.3
123.04562	2.2
125.06102	0.8
125.09721	2.5
135.08194	3.5
136.05296	0.8
137.09717	1.1
145.05110	0.8
151.11247	2.8
153.12877	0.7
161.04533	2.2
161.09647	1.5
163.11298	15.3
165.12869	4.4
167.10721	0.9
169.12379	2.7
169.28667	0.6
171.10262	1.4
179.05682	0.7
179.10786	1.3
181.12372	5.1
183.14020	1.0
185.11852	1.6
186.07721	0.5
189.09218	1.8
191.10780	2.6
191.14447	2.0
193.12349	0.6
197.11842	23.1
198.12241	1.8
199.13474	1.4
202.15805	0.7
207.10274	51.4
208.10594	3.5
209.11839	100.0
210.12177	6.2
211.13457	4.5
225.11325	20.5
225.13560	1.1
226.11649	1.5
227.12898	14.1
228.13213	1.5
235.08264	5.7
245.19135	3.9
246.19460	0.8
253.09294	20.2
254.09691	1.4
263.20200	6.8
271.17108	1.0
281.13773	1.0
289.18112	20.4
289.21338	1.0
290.18417	1.7
291.19653	6.8
292.19910	0.8
299.15118	0.7
307.19174	25.6
308.19467	3.0
309.20746	31.8
310.21027	3.8
443.19223	2.1
445.20758	4.6
461.20328	7.4
462.21136	0.9
499.30795	0.7
543.28339	2.1
545.29865	0.9
637.31781	1.1
655.32880	1.1
735.39899	2.3
736.39581	0.7
753.40747	21.2
754.41071	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	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03441	0.8
57.36422	0.4
59.01386	7.3
61.98832	1.3
69.03467	0.7
69.71353	1.8
69.71767	0.5
71.01388	6.0
71.05022	0.5
73.02950	1.4
80.02682	1.3
81.03480	2.8
83.01393	1.8
83.05032	6.0
85.02958	1.6
87.00877	1.1
89.02450	3.2
93.03455	0.6
95.01398	0.8
95.05018	1.1
97.02956	2.7
97.06606	2.2
99.00877	0.7
101.02462	4.6
106.04221	0.6
109.06603	10.1
110.03801	0.9
110.06906	0.4
111.08170	2.0
113.02463	2.3
117.81415	0.4
119.03529	0.7
121.06622	1.2
123.04555	1.6
123.08154	0.9
125.02466	0.7
125.06092	1.0
125.09745	3.5
126.10104	0.4
135.08185	3.4
136.05315	0.8
137.09729	1.3
145.05096	0.8
145.10208	0.5
161.04584	1.7
161.09721	0.7
163.11307	11.7
164.11656	0.8
165.12845	2.6
167.10677	0.6
169.12381	1.5
171.10254	1.9
177.12831	0.6
179.05577	0.7
179.10785	0.7
181.12346	1.9
185.11841	3.0
189.09222	0.9
191.10809	1.5
191.14432	3.5
197.11856	10.9
198.12158	0.8
198.57771	0.5
199.13469	0.5
207.10287	27.9
208.10608	1.6
209.11848	100.0
210.12190	6.0
211.13330	2.9
225.11328	11.4
226.11728	1.0
227.12917	12.2
228.13271	1.0
235.08212	4.5
237.11365	1.5
245.19171	6.7
246.19458	0.5
247.16940	0.4
249.14951	0.6
253.09305	13.8
254.09708	0.8
263.20227	2.1
271.16971	1.2
289.18121	32.8
290.18497	3.4
291.19632	3.6
307.19171	26.7
308.19589	2.4
309.20758	13.1
309.23532	0.3
310.21146	1.6
327.19501	0.7
356.55374	0.5
373.87820	0.5
437.26828	0.5
443.19360	0.9
445.20599	1.1
461.20248	3.4
481.29294	0.6
499.30527	1.0
543.28137	1.2
564.28748	0.5
637.32550	1.3
735.39771	1.8
753.40741	10.5
754.40918	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	753.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88213	0.4
59.01376	1.5
60.91167	0.4
61.98835	100.0
62.98537	0.7
63.99257	1.1
71.01389	7.4
72.01740	0.4
73.02957	0.7
75.00897	0.6
78.98593	0.5
79.95753	1.5
80.91695	0.9
80.96517	6.4
81.03442	0.5
83.01413	0.6
83.05067	0.9
85.02950	0.6
87.00894	0.7
88.98782	0.7
93.35529	0.4
94.98101	1.1
96.96007	3.2
96.96986	0.4
97.02962	0.9
101.02486	1.2
109.06615	1.3
113.02455	0.5
120.36756	0.5
125.02495	1.2
126.02805	0.4
135.08223	0.6
152.98657	0.6
161.04573	0.5
163.11272	1.0
164.98683	1.1
169.01472	0.6
171.10252	2.4
181.12422	0.7
185.11861	0.6
199.13405	0.7
201.11325	0.6
207.10284	4.2
209.11842	12.5
209.13753	0.8
210.12196	1.1
211.13441	0.9
213.14963	0.9
225.00806	1.6
225.11320	4.3
226.11777	0.5
226.15329	0.6
227.12912	2.0
235.08415	0.8
243.12450	1.1
253.09369	1.2
301.00092	1.3
329.14157	0.6
399.21698	0.5
418.68304	0.5
450.27347	0.4
460.86630	0.5
461.20547	0.5
671.32959	0.8
689.34723	0.8
721.36749	1.7
722.37402	0.7
753.33478	6.5
754.34772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.7
59.01382	1.3
60.23537	0.8
61.98833	1.5
65.00312	1.4
67.58672	0.8
69.44479	3.6
69.44906	3.1
74.67283	0.8
78.95906	1.6
79.95750	1.0
80.96519	1.2
81.03040	0.8
81.03467	4.1
83.01394	18.6
85.42138	0.9
107.01398	1.1
109.06608	1.3
121.02930	1.7
123.04521	3.7
125.02455	100.0
126.02779	3.2
149.02458	2.6
151.00391	2.5
152.01102	1.5
152.99557	0.9
153.05617	2.4
167.03513	1.8
179.03474	1.4
180.04466	0.8
184.75888	1.0
197.11815	1.0
207.10277	1.5
218.82956	0.9
247.16728	1.0
271.17001	3.0
311.20206	3.7
355.19141	48.0
356.19565	7.2
397.20187	31.0
398.20578	3.4
505.57397	1.2
683.53864	1.0
728.09528	1.2
753.40771	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	753.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.0
61.98836	100.0
65.95387	0.3
71.01395	2.1
73.02946	0.4
75.00884	0.4
78.95924	0.6
78.98581	0.4
79.95744	12.8
80.02666	0.5
80.96525	21.8
81.03470	0.8
83.01405	0.5
83.05028	1.0
85.02978	0.9
87.00902	0.6
88.98817	2.2
89.02457	0.6
94.98109	0.6
95.01344	0.5
95.95252	0.7
96.96018	17.3
99.38110	0.5
100.64124	0.4
101.02457	1.1
108.88368	0.3
109.06607	1.2
113.02479	0.8
116.92886	0.9
119.03500	0.3
125.02460	1.5
134.97594	0.4
135.08151	0.7
151.00412	0.5
161.04536	0.5
163.11314	1.8
164.98611	0.4
165.12788	0.5
169.01463	0.7
171.10313	0.6
181.12393	0.5
199.09831	0.4
207.10179	2.3
209.11839	15.4
210.12202	1.2
225.00775	1.3
225.11394	1.2
227.12941	1.3
253.09166	0.6
279.29626	0.4
307.08585	0.5
316.01953	0.3
317.02765	0.6
345.59015	0.4
365.67767	0.4
488.34821	0.5
489.35007	1.2
490.35040	0.4
735.29236	1.5
753.30066	39.4
754.30408	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	753.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98834	47.1
63.96218	1.5
71.01384	9.2
73.02930	1.4
75.00877	1.6
78.98598	6.3
79.95741	100.0
80.96520	84.7
81.03461	1.9
85.02948	3.4
87.00878	3.3
87.09390	0.9
88.98785	1.7
94.97540	1.6
94.98090	16.2
96.96011	6.6
97.02944	2.1
98.20641	2.5
99.04501	1.2
101.02426	2.9
102.22003	1.0
102.40191	0.9
103.03994	2.0
104.03773	0.8
105.01940	1.5
106.98081	2.9
111.94743	1.0
113.02428	1.1
116.92791	0.9
122.97609	8.6
125.02468	4.2
127.04008	1.5
134.97603	5.7
136.99113	3.2
148.99153	7.1
152.98627	6.8
155.67790	0.9
161.04573	2.3
164.98624	12.1
168.32860	0.9
188.98637	1.3
195.12187	0.8
202.52751	0.8
206.99683	11.5
209.11797	3.3
225.00731	32.6
226.00974	0.9
241.00180	3.0
283.04907	4.1
300.99982	1.7
341.05502	9.5
355.06985	2.5
395.55557	0.9
397.11853	1.8
425.14960	7.2
429.08777	0.9
483.15619	1.5
509.16772	8.1
525.16589	1.3
539.18073	1.6
551.18085	2.0
567.24524	1.9
568.18115	1.7
581.19293	2.4
595.20880	1.4
609.22266	4.3
623.26697	2.8
651.27124	6.7
652.27484	3.1
707.29364	2.0
735.29016	38.6
736.29578	10.2
753.30164	44.3
754.30157	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	752.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25543	0.1
55.88126	0.1
59.01369	0.2
61.98836	100.0
71.01383	0.1
74.82056	0.1
78.14660	0.1
78.95918	0.2
86.88137	0.1
96.96046	0.2
98.19821	0.2
117.07096	0.2
119.08691	0.2
125.02478	0.2
125.09802	0.2
135.08165	0.3
171.10294	1.3
187.22046	0.1
197.11880	0.2
207.10248	0.2
209.11848	2.5
209.13744	0.2
211.13368	0.4
225.11392	0.4
227.12967	0.4
253.09261	0.3
289.18146	0.5
307.19281	0.5
502.84363	0.1
525.27185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98835	64.3
63.02386	0.9
64.87084	0.7
65.00327	1.3
69.58181	4.5
71.01390	2.9
78.98578	0.8
79.95738	6.8
80.96523	13.0
82.69696	0.6
83.01388	1.7
85.02974	0.8
87.00891	1.8
88.98808	2.3
89.02447	1.0
93.70228	0.7
94.98102	3.1
95.01393	0.7
95.95252	2.7
96.96019	78.5
98.20650	0.7
98.56654	0.8
101.02413	1.6
107.01394	4.3
109.02952	2.2
116.92928	0.8
119.05025	1.2
122.97649	0.9
123.00913	1.2
124.01670	1.9
125.02468	5.3
133.77434	0.8
134.97597	0.9
135.00922	0.8
135.04512	0.9
136.78191	0.8
137.02441	6.9
148.99142	1.0
149.47562	0.7
150.03224	1.3
151.00377	13.4
152.00935	0.9
152.98700	1.1
161.02431	1.4
163.00394	1.7
163.04036	2.1
164.01189	1.1
164.98604	2.5
165.01936	2.1
165.05617	2.0
169.01436	2.7
171.10260	0.7
175.03957	1.0
178.99873	12.5
179.10789	1.0
185.02499	1.0
185.27789	0.7
192.00682	0.9
199.03967	0.9
201.01945	0.9
201.11305	1.9
203.03476	2.9
209.11778	0.8
214.02686	5.6
215.03079	0.9
225.00717	4.2
227.03607	1.5
229.01549	0.8
229.14439	1.4
231.02913	0.8
242.02171	4.4
243.02890	3.7
245.00960	0.9
245.04593	0.8
257.01193	0.9
259.02454	5.1
270.01617	6.3
271.02469	32.9
271.79727	0.7
272.02899	2.9
273.08090	3.3
275.01993	5.1
286.98978	1.5
287.02005	19.3
287.05203	1.3
288.02426	3.6
291.09055	4.4
300.99930	10.7
316.02240	100.0
317.02960	48.4
318.03418	2.7
363.11386	1.3
435.13300	28.6
436.13562	3.0
479.08252	6.7
531.33136	0.8
591.27344	1.2
673.21399	49.7
674.21875	10.4
753.17096	32.1
753.30316	14.2
754.17310	7.0
754.30328	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98836	100.0
63.02407	0.7
65.00343	1.8
69.51978	2.8
69.52384	1.1
71.01363	1.5
73.02972	0.9
79.95734	5.5
80.96539	3.6
83.01383	1.4
85.02969	0.7
86.79885	0.6
88.98815	1.9
96.96019	94.1
101.02456	1.0
104.87283	0.5
107.01389	4.2
109.02965	2.4
109.47578	0.6
123.00974	0.7
123.04507	0.7
124.01614	1.4
125.02458	4.6
128.16942	0.6
135.04539	2.6
137.02455	6.4
151.00398	15.3
152.00873	1.1
161.02477	0.9
163.00407	2.2
164.01183	1.3
165.01941	1.1
169.01425	2.8
177.01895	0.7
178.99887	12.2
179.10834	0.9
192.00743	1.0
201.11456	0.8
203.03621	1.0
204.04228	0.6
210.37013	0.6
214.02736	5.5
215.03212	0.9
225.00661	0.9
227.03406	1.2
232.03693	0.8
242.02202	4.8
243.02901	3.1
245.04488	0.8
259.02441	4.6
270.01700	7.1
271.02478	34.4
272.02783	2.5
273.07864	0.8
287.02014	20.2
287.05270	1.3
288.02609	2.6
289.03305	0.7
291.09186	3.0
299.02090	0.7
300.99948	1.2
307.46533	0.6
316.02246	99.0
317.02945	43.2
318.03418	3.2
435.13306	22.9
436.13589	2.1
479.08319	7.5
507.66895	0.6
591.27777	1.8
631.34692	0.6
673.21381	49.1
674.21692	9.0
752.40857	0.7
753.17126	36.3
753.30164	3.7
754.17401	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	752.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80664	0.2
61.98837	100.0
69.31835	1.7
80.96528	0.3
138.64995	0.2
223.46986	0.2
248.73938	0.2
433.33298	0.2
452.82455	0.3
753.33649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.1
61.98833	100.0
62.98524	0.2
66.99035	0.1
91.64520	0.1
125.02428	0.1
150.62056	0.1
183.69527	0.1
208.96021	0.1
209.11833	0.7
211.13443	0.4
281.35944	0.1
328.74585	0.1
752.35242	0.2
753.40100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78297	0.3
55.01856	0.4
57.03441	1.4
58.00602	0.3
59.01382	6.5
59.24501	0.3
61.98808	0.4
69.03470	2.5
71.01388	5.7
71.05016	0.8
73.02947	1.1
81.03462	0.5
83.01418	0.4
83.05029	1.3
85.02958	1.2
85.06563	0.5
87.00871	1.3
89.02455	2.9
91.06721	0.3
95.01381	0.6
95.05035	0.8
97.02968	0.9
97.06593	1.1
98.20746	0.6
99.00884	0.6
101.02454	4.8
109.06598	3.1
110.03685	0.3
111.04460	0.3
111.08178	6.0
113.02447	2.2
116.92850	0.6
119.03494	1.2
121.06624	0.6
123.04566	0.5
123.08170	0.3
125.02455	1.1
125.09734	0.6
127.07696	0.6
135.08160	0.6
135.11842	0.4
141.09247	0.5
142.02747	0.3
145.05038	0.7
149.09698	0.7
151.11281	1.2
153.05704	0.3
153.09264	0.6
153.12906	0.5
157.05022	0.3
161.04567	2.5
161.09605	0.5
163.11322	1.9
163.32930	0.3
165.12820	0.5
167.10789	3.5
169.12361	2.8
169.19589	0.3
171.10304	0.6
177.12834	0.8
179.05571	0.6
179.10820	2.0
179.14407	3.9
181.12369	1.5
183.13869	0.5
195.13904	10.8
196.14188	0.9
197.11839	30.6
198.12151	1.6
199.13474	2.4
200.13506	0.3
205.12340	9.2
206.12796	0.5
207.10252	5.6
208.10562	0.5
209.11858	2.1
211.13422	5.2
221.11836	1.2
223.13402	100.0
224.13728	7.5
225.11334	3.1
235.08226	6.3
236.08798	0.4
239.12912	1.0
245.18993	0.5
253.09297	17.4
254.09605	0.9
263.20190	2.3
265.18201	0.6
273.18619	0.6
289.18066	0.8
289.33002	0.3
291.19672	12.1
292.20010	1.0
293.21307	0.5
295.84280	0.3
307.19196	1.2
309.20731	43.9
310.21078	5.4
357.20792	0.5
386.94586	0.3
399.21729	0.5
417.22702	0.5
441.21063	0.4
459.22391	12.5
460.22556	1.6
461.20514	0.9
515.34283	0.5
527.28693	0.4
545.30096	0.7
615.90039	0.3
635.31262	0.5
653.31543	0.4
715.36536	0.5
751.39929	2.6
771.19995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	14.3
75.00884	10.1
79.95737	14.2
80.96526	77.9
81.03436	13.4
85.02957	15.8
88.69265	8.2
94.98081	16.4
99.00860	12.2
104.58904	9.4
104.87967	8.8
125.02471	24.4
148.99136	8.8
149.87662	8.7
150.51900	8.1
153.05568	10.8
164.98650	10.6
171.10147	11.7
175.60226	12.3
207.10445	10.5
225.00700	24.1
255.23282	16.9
256.23633	12.8
325.55377	8.9
357.20737	91.7
711.33325	10.2
715.41296	25.6
733.43256	16.4
751.39935	100.0
752.39954	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	751.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03447	1.2
58.00600	0.5
59.01383	5.6
61.98836	0.4
69.03461	2.4
71.01387	4.8
71.05042	0.8
72.99332	0.3
73.02959	0.9
82.21493	0.3
83.01369	0.4
83.05038	1.0
85.02953	1.2
85.06588	0.8
87.00883	1.3
89.02453	2.4
93.03489	0.5
95.01382	0.4
95.05045	0.8
97.02982	0.6
97.06611	0.4
98.19820	0.7
101.02453	4.1
109.06593	1.4
111.08161	7.2
113.02453	2.5
119.03519	0.6
125.02464	1.5
127.07668	0.6
133.05084	0.4
141.09280	0.6
145.05112	0.6
148.54265	0.3
149.09709	0.6
151.11322	0.4
153.09239	0.4
153.12852	0.7
154.33597	0.3
161.04541	1.7
161.13481	0.5
163.11325	0.3
167.10788	3.2
169.12358	3.0
177.12857	0.6
179.05626	0.8
179.10789	2.0
179.14453	3.1
180.14778	0.3
181.12302	0.7
183.13936	0.3
195.13913	10.3
196.14223	0.6
197.11844	38.4
198.12224	2.8
199.13417	1.9
204.08044	0.3
205.12350	9.7
206.12712	0.6
207.10422	0.6
209.11848	1.0
211.13396	4.8
221.11987	0.5
223.13412	100.0
224.13741	6.9
225.11388	0.4
225.14816	0.4
227.12923	1.0
235.08249	5.8
247.17044	0.4
247.20633	0.3
249.14972	0.7
253.09311	15.6
254.09654	0.7
263.20056	1.5
264.20346	0.4
265.18185	0.9
273.18613	0.9
291.19684	12.6
292.19925	1.7
309.20740	43.6
310.21115	5.3
331.54422	0.3
375.21808	0.8
433.20877	0.8
441.21225	0.5
459.22372	10.3
460.22760	1.4
515.34009	0.6
545.29803	1.1
751.41400	1.8
752.41449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99798	0.8
63.96248	2.2
66.95892	0.8
71.01385	8.7
71.60499	1.1
73.02960	1.4
78.95908	11.5
78.98582	7.1
79.69658	1.0
79.95738	12.9
80.96523	81.3
85.02948	3.9
87.00896	4.2
94.98093	20.2
96.96008	1.1
96.96950	0.9
97.02956	1.8
99.00890	0.9
101.02443	2.7
106.98094	3.0
122.97585	3.9
125.02474	4.1
127.04044	1.0
134.97614	4.9
136.99112	1.0
148.99152	6.0
152.98631	5.9
152.99690	1.5
164.98657	14.5
169.12360	2.1
178.88408	1.0
180.89989	1.9
194.91481	1.1
196.89490	30.3
197.11801	4.2
197.89526	1.4
206.99744	2.3
224.98630	1.4
225.00766	21.7
241.01180	1.9
255.23373	6.4
285.14368	1.0
332.47223	1.0
351.85638	0.8
495.15460	1.4
537.26978	1.2
571.47668	0.9
697.85010	1.0
746.69592	1.0
751.39691	100.0
752.40051	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	751.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03437	3.5
59.01381	17.4
61.98834	7.0
67.01896	2.5
69.03450	5.5
71.01389	24.0
71.05035	1.7
71.62423	1.1
72.99299	3.2
73.02947	3.7
75.00885	1.8
78.95913	1.8
79.05488	1.1
79.67051	1.0
80.02672	1.9
81.03469	2.6
83.01382	4.7
83.05024	9.0
85.02966	5.4
87.00881	7.5
89.02441	7.5
90.68410	1.0
93.03465	1.9
95.01371	3.1
95.05037	3.3
96.96008	2.8
97.02957	19.3
97.06597	3.9
99.00888	4.1
99.04504	1.4
101.02440	13.0
106.04240	1.7
107.05043	2.8
108.02142	1.1
109.02973	3.9
109.06579	10.5
110.03753	10.0
111.00870	3.4
111.04527	46.4
111.08154	4.0
112.04866	1.4
113.02454	9.2
119.03448	1.3
119.05065	1.8
121.02969	1.5
121.06599	1.9
122.03740	2.8
123.04536	6.2
123.08179	3.7
125.02448	3.5
125.06046	2.9
125.09729	7.3
129.01958	1.3
133.06573	1.6
133.10347	1.1
135.08159	4.5
136.05287	1.2
137.09711	5.2
137.34631	1.0
141.01912	2.8
149.06192	2.7
149.09709	2.9
151.07671	1.6
151.11296	9.3
153.09189	3.9
161.04576	4.7
161.09737	20.7
163.07626	1.8
163.11310	11.7
165.09132	1.7
165.12877	6.3
167.10793	1.5
169.12346	2.7
171.10301	8.4
177.09250	11.5
177.12968	1.2
178.09566	1.6
179.05602	2.1
179.10780	28.4
180.11073	2.2
181.12320	5.8
185.11797	4.9
187.09781	1.4
193.12379	1.3
195.10310	2.6
197.11833	12.9
199.09770	1.4
205.08704	44.2
205.12267	1.7
206.08975	2.7
207.10274	35.8
208.10643	1.8
209.11865	13.4
210.12169	1.9
211.13370	6.1
221.11862	2.8
223.09767	100.0
223.13373	8.8
224.10120	7.3
225.11334	41.5
226.11688	3.2
227.12869	7.3
228.52382	1.3
235.08250	9.8
237.11298	1.3
241.10847	2.8
245.19136	2.8
247.20663	4.8
253.09299	30.2
263.20181	1.6
273.18634	1.8
287.16702	1.5
289.18124	9.7
291.19662	47.7
292.19925	5.8
299.14886	1.8
305.17743	1.8
307.19156	10.8
308.19260	1.5
309.20728	79.7
310.21042	8.8
399.21887	1.4
417.22971	2.4
441.17648	8.0
443.19046	2.6
459.18600	17.5
460.18839	1.7
461.20398	7.3
479.27841	1.5
497.29468	1.7
515.30188	2.2
586.95905	1.4
606.40350	1.5
635.30237	1.8
653.31952	1.5
715.36743	1.9
733.37787	5.6
734.38477	2.0
751.39093	61.2
752.39526	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22167	0.9
57.03428	1.0
58.00580	0.8
59.01359	1.5
61.98833	40.8
69.70245	3.8
71.01372	1.3
78.23174	0.7
78.95906	19.2
80.02676	2.0
80.96510	0.8
81.03465	2.5
83.01407	1.1
83.05030	8.9
84.02180	2.5
88.98840	0.8
94.98082	1.3
95.05023	1.7
95.35032	0.6
97.06597	0.9
99.08172	1.2
109.06592	1.6
111.08199	0.7
122.00137	1.6
125.02426	1.1
125.06100	1.0
125.09702	0.7
129.09322	1.3
135.08154	2.0
140.01198	8.1
149.19713	0.7
163.11296	8.0
165.12854	3.6
169.07584	0.7
169.12364	1.4
171.10266	1.3
181.12300	3.5
183.13878	1.1
191.10786	1.6
196.03792	4.0
197.11847	7.4
199.13425	2.3
204.01332	0.7
207.10286	1.5
209.11832	100.0
210.12218	6.7
211.13409	9.0
224.13950	0.8
225.11299	1.9
227.12886	22.5
228.13164	2.2
235.08418	0.8
253.09305	1.4
259.15359	1.6
287.16602	1.9
289.18011	1.6
291.19736	0.7
293.21158	4.4
305.17700	2.1
309.20920	0.9
311.22272	22.7
311.25732	1.5
312.22601	1.5
318.84030	0.8
364.53598	0.8
386.06680	0.7
420.40240	0.8
487.34286	1.9
488.34827	0.8
508.26926	3.2
709.30182	0.8
718.39655	13.8
719.40204	3.9
733.38190	1.2
750.42218	56.3
751.42493	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	751.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55124	0.3
69.27549	2.6
69.27953	0.7
79.85961	0.3
80.36341	0.3
98.20646	0.6
101.08100	0.3
109.70738	0.3
114.46947	0.3
137.32286	0.3
145.02962	0.9
151.00397	0.3
157.02946	0.5
162.93944	0.3
163.03998	0.4
173.02425	1.2
178.99844	0.4
185.02448	2.3
199.00227	0.4
200.01164	0.5
201.01996	1.9
217.01332	0.4
226.99796	0.5
229.01424	4.0
245.00847	1.5
257.00900	1.9
270.01633	0.5
271.02567	1.9
283.99606	2.5
287.01987	1.0
299.99100	2.5
300.99902	100.0
302.00287	8.2
316.02252	6.3
317.02884	0.6
389.82608	0.4
415.24475	0.4
449.07251	9.1
450.07751	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	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67434	0.7
59.01388	5.5
60.99322	1.4
61.98836	100.0
62.91273	0.7
63.99871	0.6
69.03464	1.3
69.62011	3.0
69.62422	1.5
71.01385	4.3
73.02981	1.1
79.95738	0.8
80.96532	1.7
81.03475	1.9
83.01414	1.1
83.05018	4.2
84.02160	1.2
85.02963	1.7
87.00896	1.5
88.98827	6.0
89.02464	3.2
93.03484	0.8
94.72413	0.7
96.96024	3.4
97.02982	1.3
97.06625	0.8
101.02451	4.7
103.00405	1.1
113.02478	1.4
116.92906	0.9
119.03473	1.0
119.04959	0.6
122.90759	0.7
125.02448	1.5
135.04546	1.2
153.12865	0.8
161.04582	1.6
163.11298	3.8
165.12866	2.0
169.01469	1.6
169.12355	23.2
170.12741	2.4
171.10341	0.9
181.12363	1.1
191.10854	1.3
197.11839	43.5
198.12239	2.1
209.11844	63.9
210.12234	4.1
225.11346	0.7
227.12932	4.4
235.08310	1.1
250.06894	0.7
253.09279	4.1
299.99268	1.1
300.99969	1.4
315.01477	1.0
404.00369	0.7
408.48444	0.7
480.22375	0.9
574.45624	1.1
687.32324	19.8
688.32813	4.5
689.34424	2.1
719.35028	33.2
720.35260	6.9
751.37958	37.2
752.38171	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	750.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26575	0.2
57.03465	0.2
58.86219	0.2
59.01377	0.5
61.98835	100.0
62.26514	0.2
70.90632	0.4
71.01397	0.5
75.00897	0.3
78.95914	2.3
80.96532	0.3
83.01366	0.2
83.05038	0.6
88.98827	0.4
101.02513	0.3
105.25976	0.2
109.06657	0.3
122.00159	0.2
125.02451	0.2
125.09747	0.3
129.09229	0.3
135.08188	0.2
140.01237	0.9
161.09741	0.2
163.11351	0.6
169.12404	0.2
171.10284	0.7
181.12485	0.3
191.10706	0.2
193.12447	0.2
196.03883	0.4
197.11862	1.7
199.13445	0.4
205.04979	0.2
206.47414	0.2
207.10341	0.6
209.11861	4.8
210.12161	0.4
211.13461	1.8
212.13860	0.2
223.09813	0.2
225.11403	0.8
227.12903	1.3
253.09370	0.3
287.16626	0.6
289.18146	0.2
293.21359	0.8
300.99963	0.3
305.17401	0.2
309.20749	0.2
311.22321	4.5
312.22684	0.4
372.19446	0.2
456.19809	0.4
471.19772	0.2
718.39429	1.2
733.38519	0.3
750.42419	4.8
751.42358	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	749.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01366	2.6
69.43907	1.3
69.44303	4.4
71.01390	1.1
71.05026	3.4
73.49823	0.6
81.03443	1.6
83.01401	1.0
83.05048	3.2
85.02953	2.2
95.05026	0.7
96.02222	0.7
97.06610	1.6
99.04533	6.1
101.02441	0.7
107.05024	1.0
109.02966	3.1
109.06625	0.7
111.04504	1.3
113.02429	2.2
115.40802	0.6
123.04515	2.1
125.02438	3.8
125.06089	1.0
127.04021	12.6
137.02417	0.8
139.04013	0.7
151.04004	2.6
152.04774	2.0
163.11273	0.8
167.03506	2.7
169.04947	1.4
179.07144	1.1
195.13828	1.4
205.12354	1.1
209.11807	1.5
223.13390	13.7
223.15572	0.8
224.13704	1.0
231.17500	0.8
235.08324	0.6
253.09335	1.6
273.18668	2.6
289.18100	5.4
307.19244	3.5
315.23331	1.4
317.21167	0.7
341.21262	6.6
342.22107	3.1
343.19012	1.0
345.20749	3.0
346.21109	0.6
347.18576	2.4
355.22803	1.0
357.20490	1.1
357.24341	3.8
359.22256	2.5
383.22333	2.5
401.23337	100.0
402.23636	14.9
459.22284	0.8
633.33337	1.0
749.39551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08585	0.1
59.01387	0.3
60.99344	0.1
61.98835	100.0
62.98540	0.2
62.99264	0.1
63.99262	0.2
70.34933	0.2
70.35324	0.2
71.01404	0.3
72.99323	0.1
75.00863	0.1
83.01405	0.1
88.98851	0.1
89.02470	0.1
96.96048	0.1
98.20031	0.1
101.02464	0.1
105.01958	0.4
121.02980	0.2
125.02463	0.2
149.80548	0.1
161.02454	0.1
165.92172	0.1
168.96759	0.1
169.01437	0.2
183.70738	0.1
207.10246	0.1
209.11876	0.6
210.12183	0.3
211.13475	0.3
212.13605	0.1
225.11374	0.1
227.12793	0.1
293.21277	0.7
397.13486	0.1
415.14819	0.2
453.01825	0.1
457.17380	0.1
459.18933	0.2
460.19104	0.1
519.53693	0.1
527.30566	0.1
529.31812	0.3
536.95166	0.1
613.22693	0.1
751.32794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
63.96230	2.0
69.03448	0.8
69.60305	3.4
71.01383	8.4
73.02953	2.2
78.55898	0.6
78.98599	6.3
79.95734	11.9
80.96523	78.1
81.03430	1.0
83.20970	0.6
85.02946	4.7
87.00879	2.3
87.04514	0.6
94.98096	19.3
96.96046	1.4
97.02959	1.2
101.02449	2.6
106.98083	3.7
122.97598	5.6
125.02470	3.2
127.04013	1.5
134.97575	5.8
136.99147	1.9
148.99130	6.3
152.98653	6.9
159.18243	0.8
164.98628	13.9
196.37891	0.6
206.99696	2.5
211.13405	1.4
225.00746	21.2
225.02950	1.4
226.00912	0.7
255.18900	0.6
255.23305	1.4
283.04901	0.8
390.79349	0.6
410.55127	0.6
410.60938	0.6
493.17340	2.8
536.78876	0.6
537.27533	1.0
749.41510	100.0
750.41840	22.3
754.66858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98833	1.0
62.61432	0.5
63.96233	1.8
67.43769	0.5
68.32967	0.6
69.03485	0.8
71.01390	6.9
71.40421	1.0
73.02944	2.1
78.98602	5.7
79.95738	11.6
80.96521	71.2
81.03466	0.7
85.02956	3.6
87.00879	2.8
94.98090	15.7
96.96023	1.2
97.02966	1.5
99.00909	0.7
101.02454	1.9
106.98067	2.7
122.97567	4.4
125.02424	3.5
127.04034	0.8
134.97607	4.7
136.99127	1.4
148.99141	5.6
152.98636	5.4
164.98631	12.3
200.79695	0.6
206.99721	2.7
210.72128	0.6
211.13454	1.3
225.00751	17.3
226.00854	0.7
255.23396	1.1
418.85132	0.6
493.17731	2.5
537.27399	1.4
738.59570	0.6
749.41492	100.0
750.41785	25.9
750.55396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
60.99305	2.9
61.98835	54.7
65.99237	1.3
69.60183	9.7
70.83036	1.3
71.01386	5.7
72.28998	1.2
75.00877	1.5
79.95751	2.8
80.96526	2.2
81.03476	1.4
83.05045	3.9
88.98808	13.1
89.02440	3.3
101.02417	2.5
106.98141	1.2
113.02440	1.7
116.92854	1.8
120.80198	1.3
163.11302	3.1
165.12889	2.4
183.13937	5.0
193.12335	1.9
197.11792	1.8
199.09712	1.5
209.11838	100.0
210.12175	7.0
211.13396	84.6
212.13739	6.6
227.12888	13.7
235.08134	3.9
253.09332	8.2
404.55798	1.4
445.20871	6.3
447.22443	4.0
506.33502	1.6
556.13928	1.7
621.32245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50085	0.6
58.10402	0.6
59.01388	0.8
63.96223	1.7
64.97021	0.8
70.20194	0.7
70.20531	2.8
71.01386	10.2
72.79804	0.6
73.02950	1.2
74.53172	0.6
78.98596	6.3
79.95743	13.4
80.96522	80.3
85.02961	3.2
87.00880	3.1
94.98090	19.0
96.96003	2.0
97.02946	1.4
98.19949	1.2
100.52348	0.6
101.02446	2.8
106.98073	2.7
122.97569	4.9
125.02457	3.0
130.19931	0.6
134.97597	5.3
136.99153	2.1
139.49612	0.6
148.99179	5.5
152.98616	5.0
164.98627	12.7
179.31631	0.7
206.99702	3.3
211.13365	1.3
225.00748	20.1
233.95239	0.7
255.23309	1.5
297.23883	0.7
327.95184	0.7
347.99612	0.7
404.76529	0.8
493.17462	2.5
537.27240	1.0
557.59772	0.8
749.41522	100.0
750.41730	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	749.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
60.99302	1.0
61.98837	13.3
67.45762	0.4
71.01388	1.6
71.61552	0.6
72.99319	4.8
75.00879	100.0
76.01225	0.8
80.02660	0.5
83.05021	2.2
87.00905	0.5
88.98811	6.7
89.02448	1.3
96.95982	0.6
101.02455	1.5
113.02500	0.4
116.92845	0.9
119.03563	0.5
123.00862	1.0
123.04530	0.5
125.02452	2.4
135.04527	0.5
137.02524	0.4
140.01120	0.4
150.03471	0.4
151.00385	0.9
161.02489	1.0
161.04524	0.6
163.11317	1.4
165.12831	1.3
169.01494	2.1
171.10304	1.0
201.11285	0.5
207.68553	0.4
209.11838	68.5
210.12195	5.1
211.13350	0.5
227.12910	12.1
228.13210	0.9
235.08269	1.5
253.09268	5.2
286.16980	0.4
288.25711	0.4
327.21680	0.5
445.20795	1.7
659.36450	7.3
660.36810	1.4
686.34033	2.4
687.34705	0.8
749.34930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22584	0.4
59.01384	1.6
60.99302	1.5
61.98835	17.9
68.92281	0.4
71.01384	2.2
71.60013	0.4
71.60414	0.5
72.99312	5.0
73.02958	0.8
74.84306	0.4
75.00879	100.0
75.47277	0.4
76.01208	1.1
78.95942	0.6
81.03468	0.5
83.05027	1.5
85.02964	0.6
88.98807	8.1
89.02460	1.1
91.11812	0.4
95.01393	0.5
96.96014	1.2
101.02451	1.3
104.31456	0.5
107.01408	0.6
107.88673	0.4
111.40050	0.4
113.02438	0.8
116.92822	0.9
119.05002	0.7
120.07996	0.5
123.00907	2.5
125.02457	2.7
135.08176	0.5
139.00372	0.9
140.01044	0.6
151.00385	1.0
161.02446	1.0
161.04619	0.7
163.11293	1.3
165.12842	1.0
168.00648	0.5
169.01451	3.4
171.10327	1.1
191.88268	0.4
201.11356	0.5
209.11838	72.5
210.12143	4.3
211.13257	0.6
227.12872	13.2
228.13118	0.6
235.08218	2.0
253.09299	4.7
285.77509	0.5
289.99039	0.4
300.99811	0.6
310.61899	0.5
445.20728	1.9
452.56296	0.5
495.27850	0.4
547.14856	0.4
659.36456	16.9
660.36865	3.8
686.34930	1.8
749.33093	0.9
750.32983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
85.88036	0.9
100.07159	1.1
101.67340	1.1
145.03032	1.0
169.01401	1.2
173.02425	1.6
185.02454	2.1
201.01843	2.0
217.68500	1.1
229.01389	3.2
245.00804	2.2
283.99661	1.7
299.99127	48.0
300.99896	100.0
302.00214	7.5
333.13663	4.5
447.05685	43.7
448.05951	6.0
511.27017	1.0
730.39789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70419	0.2
69.27389	1.4
69.27814	0.8
85.67278	0.2
96.96060	0.3
98.19877	0.3
115.42204	0.2
117.03456	0.3
122.89723	0.2
129.03484	0.4
145.02991	1.3
157.02957	0.7
163.04039	0.5
169.01453	0.3
173.02457	1.1
185.02467	2.2
187.39983	0.2
200.01187	0.2
201.01930	1.9
217.01479	0.3
226.99927	0.6
228.00589	0.3
229.01393	3.3
230.01616	0.3
232.84810	0.3
245.00929	0.9
254.99257	0.3
255.99603	0.3
257.00992	1.4
265.07520	0.4
271.02640	0.3
283.99634	2.2
299.99228	2.6
300.02704	0.5
300.99884	100.0
302.00241	8.0
316.01990	0.2
321.85779	0.2
447.09134	0.3
525.67859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00557	3.0
59.01381	28.3
61.98804	3.9
70.07274	11.4
71.01386	21.7
89.02455	24.6
100.09869	2.9
101.02454	10.8
113.02473	5.0
119.03493	16.1
179.05600	11.2
212.18793	3.0
225.22076	3.1
264.94431	3.1
278.24930	2.8
331.52145	2.9
392.62308	3.4
532.47491	21.6
533.47931	4.8
550.48291	10.5
712.53607	100.0
713.54108	27.9
748.51245	24.5
749.51978	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	748.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41924	0.2
59.01375	0.3
61.15636	0.2
61.98835	100.0
62.98549	0.2
71.59923	0.3
73.71762	0.2
75.00896	0.4
75.13686	0.2
78.95910	0.3
124.88985	0.2
125.02448	0.3
135.71945	0.2
153.15559	0.2
153.37167	0.2
208.97186	0.2
211.13309	1.1
212.13765	0.6
223.13492	0.9
224.13800	0.4
225.21896	0.2
341.44730	0.2
498.63983	0.2
516.35181	0.2
728.68390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67988	3.5
58.37259	3.5
59.01384	25.0
61.98815	5.2
65.98295	3.0
66.29719	3.3
69.95690	6.1
69.96091	9.0
71.01395	17.6
89.02456	24.4
98.19946	4.4
101.02444	17.3
113.02451	5.6
119.03520	9.9
143.03499	3.3
161.04463	4.3
164.32961	3.3
179.05690	9.7
183.14240	3.4
211.06207	3.9
225.22122	7.4
231.41925	3.7
248.73131	3.2
256.23700	3.7
394.65234	4.0
464.01898	4.2
532.47498	12.9
550.48615	9.6
655.63593	4.0
712.53638	100.0
713.54004	22.5
748.51013	23.3
749.51855	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	747.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
60.63904	0.7
66.26077	0.7
69.58923	5.0
69.85300	0.7
71.05023	2.4
79.01921	1.3
86.27298	0.8
95.05029	7.3
97.02961	2.0
98.20560	1.7
104.66968	0.8
105.39380	0.8
122.03745	0.8
125.02497	1.1
139.04010	10.2
255.23344	1.5
329.24902	12.0
330.25360	1.7
330.87555	0.8
373.23840	100.0
374.24197	13.0
528.30725	0.8
565.31659	2.1
715.43011	0.8
740.90161	0.9
744.27740	0.8
747.40546	1.1
748.45178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06886	0.1
53.36799	0.1
55.45214	0.1
59.01377	0.4
60.99314	0.3
61.98833	100.0
71.01396	0.4
72.99325	0.3
75.00523	0.2
75.00861	0.8
78.95897	0.2
80.96532	0.3
88.98818	1.7
89.02434	0.2
99.00991	0.2
101.94434	0.1
109.06613	0.3
117.12086	0.2
122.94398	0.2
125.02448	0.2
130.98360	0.2
136.45570	0.2
138.90077	0.1
140.01123	0.2
148.40680	0.2
163.11270	0.2
197.11830	0.3
199.13496	0.1
207.10364	0.7
209.11861	1.0
211.13385	1.2
212.13805	0.2
225.11357	0.6
227.12920	0.2
260.80542	0.2
301.00137	0.3
320.32614	0.2
537.91980	0.2
588.26202	0.2
638.33087	0.2
656.34167	0.4
748.41138	0.3
749.34009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93504	1.2
55.96568	1.4
59.01381	18.7
60.99289	1.5
61.98837	34.6
69.03455	1.7
71.01385	6.8
71.68369	1.2
72.99310	3.1
78.95908	1.5
80.96523	1.9
81.03467	2.1
83.01389	1.2
83.05016	3.8
83.26547	1.1
85.02969	1.5
88.98801	9.5
89.02425	4.7
90.53873	1.3
90.92973	1.3
95.01385	1.8
97.02943	5.7
101.02462	7.2
109.06598	25.9
113.02461	3.2
121.06586	2.3
125.02421	1.6
135.08141	2.4
144.81473	1.2
145.05074	1.9
158.40936	1.1
161.04594	1.9
163.11298	12.8
171.10269	7.5
181.12354	3.8
183.13911	9.7
185.11850	1.8
193.12308	2.0
207.10275	60.2
208.10571	4.2
209.11858	7.9
210.12195	1.6
211.13396	100.0
212.13730	4.9
225.11314	30.2
226.11603	1.6
235.08232	5.7
241.14444	2.5
247.06479	1.5
253.09305	8.0
299.15002	1.6
300.99896	1.5
311.49973	1.3
337.44553	1.6
339.23419	2.6
373.23749	2.5
383.22116	5.8
384.21732	1.5
391.24838	1.9
401.23154	10.7
419.24442	3.4
443.18988	4.2
447.22318	4.2
448.96384	1.4
461.20288	9.2
603.90887	1.4
609.32831	3.8
619.30554	3.1
637.32318	33.9
638.32697	9.5
638.42004	1.9
655.33380	36.1
656.33453	7.2
747.41925	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	747.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40479	0.7
55.01882	1.1
57.03447	2.6
58.00602	1.0
59.01384	12.5
67.01900	0.8
68.99825	0.8
69.03441	1.1
69.75136	0.7
70.08436	3.6
71.01387	20.8
72.99308	6.0
73.02970	1.3
75.00876	22.2
79.95711	0.8
80.96520	3.6
81.03460	2.7
83.01409	1.2
84.02186	2.4
85.02957	24.2
87.00886	6.8
89.02448	2.2
95.01414	5.8
98.20573	0.9
99.00897	12.9
101.02469	0.9
103.00374	2.4
111.00809	1.0
113.02460	21.1
115.00370	1.5
117.01971	2.5
125.02449	1.1
129.01997	0.9
132.93314	0.9
139.00334	0.8
163.11288	5.4
165.12912	1.8
175.02489	2.7
177.71689	0.7
181.12387	1.0
191.10826	1.2
193.03654	1.1
209.11852	65.3
210.12193	4.3
227.12915	5.9
249.06161	2.1
255.23311	50.6
256.23676	4.5
286.79065	0.8
449.87524	0.8
452.66312	1.0
460.70612	1.0
477.19968	2.1
697.41882	1.7
715.42743	100.0
716.43060	24.7
747.45508	70.9
748.45770	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	747.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.4
60.99316	12.9
61.98836	44.2
70.17620	4.7
71.01398	5.2
72.61505	1.0
72.99307	3.1
75.00887	2.7
78.95908	2.0
79.75414	1.1
83.01384	1.6
84.42429	1.0
85.02956	1.7
87.00895	1.7
88.98814	64.8
89.02475	2.0
92.83779	1.2
95.01412	2.1
96.96017	15.0
96.96997	2.3
97.02970	1.4
101.02435	2.3
107.01404	4.2
108.63335	1.0
111.00916	1.8
113.02477	1.4
116.92871	7.4
117.05598	1.6
119.05060	1.9
123.00898	14.5
125.02463	18.1
126.02763	1.3
133.02957	1.4
135.04527	1.2
136.86499	1.1
136.98869	1.9
139.00409	4.3
140.01147	2.9
141.01956	1.4
150.03220	1.3
151.00386	11.2
151.04065	1.5
161.01303	1.1
161.02432	7.3
163.04089	1.6
165.05560	1.6
166.06059	1.3
167.03522	1.3
168.00560	2.0
169.00146	0.8
169.01450	21.3
170.01820	1.9
176.03592	1.5
179.03459	1.5
197.11877	1.3
201.11324	1.4
209.11887	5.3
211.13545	1.5
227.12996	2.0
301.00021	2.0
301.03308	1.4
313.05835	2.0
318.25146	1.2
371.86945	1.1
379.71414	1.2
423.37445	1.4
480.01245	1.4
657.34912	100.0
658.35175	20.8
684.33130	23.8
685.33215	5.9
747.32971	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	747.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.99311	16.6
61.98518	0.5
61.98836	8.8
71.01398	0.3
72.99320	0.7
85.88716	0.3
87.00874	0.7
88.00411	1.4
88.98814	100.0
89.02444	3.9
89.99146	1.1
96.96034	0.6
110.68358	0.3
116.02661	0.3
116.92857	0.4
118.96700	0.3
125.02467	0.3
146.19604	0.3
169.01437	0.3
171.10271	0.3
207.10243	0.6
209.10146	0.3
209.11737	1.7
211.13443	2.3
333.48294	0.3
376.49368	0.3
379.99451	0.4
421.97314	0.3
637.32117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98827	3.2
63.02395	0.6
65.00359	1.3
67.29034	0.5
71.01392	0.7
71.61429	0.7
81.32094	0.5
87.00905	0.7
88.17670	0.5
89.94192	0.5
95.01387	0.7
96.96032	1.8
98.45764	0.6
103.34936	0.6
106.28988	0.6
107.01407	2.1
108.19019	0.5
109.02983	1.5
123.00903	1.2
124.01732	3.3
124.02470	0.6
125.02457	5.5
127.39650	0.6
130.72928	0.5
136.01636	0.9
136.30206	0.5
136.48111	0.6
137.02455	1.9
149.02431	1.3
150.03275	3.0
151.00368	6.6
152.01085	1.2
161.02448	1.1
163.00435	1.3
163.04013	0.8
164.01175	1.5
165.01994	1.8
165.05563	3.3
165.06764	0.6
169.01454	6.1
178.99881	7.5
195.06624	2.0
203.03578	1.3
204.04253	0.9
211.41585	0.6
214.02721	5.7
215.03319	0.7
227.03609	0.7
242.02197	5.6
243.02953	3.2
259.02454	6.7
270.01718	6.6
271.02478	40.1
272.02737	3.0
275.02063	0.8
287.01996	20.3
288.02573	2.9
299.01987	1.1
299.99152	0.7
300.99905	3.3
315.01593	1.4
316.02243	100.0
316.99194	1.1
317.02753	12.2
371.15076	1.0
433.34833	0.6
537.21106	0.9
595.13031	58.1
596.13275	9.0
747.14081	29.9
747.34631	0.9
748.14069	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	747.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37290	0.4
59.01393	0.6
60.99305	0.3
61.98833	5.3
63.73986	0.3
71.01375	0.6
71.61389	0.4
73.02949	0.3
74.99094	0.4
78.91897	0.4
83.01398	0.3
88.98798	2.0
89.02444	0.3
96.96027	0.7
96.96935	0.3
97.19097	0.2
100.25816	0.3
101.93433	0.3
103.03979	0.3
113.02472	0.3
116.92863	1.0
120.99662	100.0
122.00053	1.3
125.02458	1.1
136.01595	0.3
137.02466	0.4
138.01965	1.4
139.21690	0.3
145.47963	0.3
150.03255	0.8
150.39845	0.3
151.00395	0.5
151.04042	0.5
153.01895	0.3
161.02501	0.4
161.04619	0.3
165.01808	0.3
166.02827	0.3
169.01392	0.7
175.04124	0.5
177.05583	0.4
186.66637	0.3
192.99661	0.8
195.06631	0.9
198.21381	0.3
200.25006	0.3
207.10420	0.3
209.11795	1.1
210.12027	0.3
241.05362	0.5
264.20624	0.3
286.54611	0.3
301.00073	0.8
385.08798	0.4
403.10303	0.4
507.97067	0.3
513.02917	0.3
537.16315	0.3
585.33740	0.4
721.76587	0.4
747.32007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54536	0.6
56.37052	0.6
63.02412	0.7
64.35743	0.7
65.00319	2.0
69.54758	5.3
71.01397	1.0
90.08349	0.7
96.96026	1.3
98.19904	1.5
102.49017	0.7
107.01390	3.2
108.17365	1.0
109.02945	1.8
114.34048	0.7
123.00880	2.9
123.04571	0.8
124.01633	2.3
125.02467	5.3
137.02461	2.5
151.00372	10.2
152.01099	1.4
163.00388	1.7
164.01131	2.6
165.01831	1.0
169.01456	4.2
178.99837	9.5
179.03513	0.9
187.03917	0.9
187.38600	0.8
193.01497	1.7
201.11316	2.8
203.03513	1.5
209.11865	3.2
214.02676	7.0
215.03432	1.2
216.04085	0.7
227.03625	1.1
227.12846	0.9
242.02243	5.4
243.03009	3.6
245.13899	1.8
259.02524	6.6
260.03101	0.8
270.01694	6.8
271.02472	40.3
272.02823	3.6
283.04626	1.8
287.01978	23.2
288.02472	3.9
299.01941	2.6
301.00040	1.7
315.01495	2.2
316.02231	100.0
317.02832	16.6
318.03348	1.1
447.11700	0.9
464.54025	0.7
595.13062	34.6
596.13690	5.1
747.14142	55.5
748.14453	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	745.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39225	1.1
57.03446	3.0
59.01392	3.3
61.98838	2.0
71.60911	1.8
78.95895	1.3
81.03458	2.5
85.02947	4.2
85.06600	3.0
91.92706	1.2
92.70161	1.1
95.01385	1.3
95.05025	2.0
96.37852	1.2
97.06591	1.7
108.02186	2.2
109.02973	1.3
111.08116	1.8
112.24464	1.3
113.02460	4.3
113.06065	3.6
123.04656	1.3
125.02444	4.9
125.06116	1.2
135.11218	1.4
139.04013	3.5
141.05566	9.3
148.97968	1.3
152.99535	2.3
153.01866	1.4
153.05566	2.8
165.02098	1.2
165.05519	1.2
165.11736	1.3
166.06400	1.6
166.85683	1.1
179.03383	1.1
180.04256	1.4
181.05109	2.6
185.09367	1.2
191.03552	1.5
229.95657	1.1
273.18668	2.0
281.24911	1.4
285.18686	2.0
301.21848	2.0
329.17572	17.6
330.18036	2.7
355.22852	4.3
356.23438	2.9
357.20187	1.4
369.24860	2.2
371.25912	3.9
372.25891	1.5
373.23669	4.8
374.24063	1.7
397.23346	1.3
415.24936	100.0
416.25290	16.4
444.54993	1.5
445.36823	1.4
454.51523	1.5
698.13702	1.3
745.37543	3.6
748.36060	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	746.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33125	0.8
59.01377	3.4
60.26375	0.8
60.99301	1.8
61.98833	27.7
70.18272	3.2
71.01385	4.0
72.29459	0.8
72.99303	2.0
73.02948	2.2
75.00864	1.1
79.01871	1.0
82.02302	0.9
83.05016	0.9
85.02975	2.1
87.00885	1.8
88.98820	11.7
89.02486	1.0
95.01384	1.3
96.96014	2.1
101.02447	3.4
107.01394	3.9
111.00860	2.5
113.02438	2.1
116.92826	1.7
123.00900	14.8
125.02452	22.4
137.02438	1.0
139.00403	3.1
140.01149	3.1
141.01974	1.5
151.00392	8.6
153.01959	1.0
161.02405	1.9
168.00632	2.3
169.01433	26.0
170.01778	1.3
179.03516	1.7
182.77406	0.8
195.06699	0.9
201.11281	1.3
209.11821	3.5
211.02299	1.0
211.13354	1.4
310.43719	0.8
313.05661	2.8
369.26727	2.2
531.32275	2.2
657.34662	2.5
683.32861	100.0
684.33282	23.4
746.44373	1.6
747.33099	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	745.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01097	0.8
59.01387	15.4
60.33926	0.3
61.98830	1.6
69.03452	1.6
71.01388	3.4
71.05003	0.6
71.60464	0.4
73.02947	0.4
75.00883	0.5
83.05035	0.7
85.02937	0.6
85.06660	0.4
87.00871	0.8
89.02447	2.2
92.78391	0.3
95.05058	0.5
101.02452	2.5
106.40392	0.4
113.02448	1.7
119.03503	0.7
125.02394	0.6
125.09740	0.4
125.26812	0.4
125.46651	0.3
133.39279	0.4
138.66566	0.4
145.05104	0.5
149.09714	0.4
151.15823	0.4
161.04553	1.5
167.10760	2.7
167.14380	0.6
174.32875	0.4
177.12888	0.4
179.05659	0.7
179.10770	0.7
179.14485	2.1
183.13918	7.4
184.14211	0.6
193.12306	1.9
195.13922	6.5
205.12360	6.3
206.12715	0.5
211.13408	100.0
212.13741	6.8
223.13409	72.2
224.13757	5.7
235.08211	3.5
253.09306	6.1
339.51022	0.5
355.26920	0.4
386.18185	0.4
399.25366	1.2
417.26468	1.4
429.21274	1.4
441.21368	2.6
447.22406	9.9
448.22760	1.2
459.22388	11.7
460.22842	1.7
609.33258	1.1
635.34515	4.0
636.35150	0.8
653.35449	5.3
654.35858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01379	5.9
61.98835	3.1
70.00050	12.8
78.95898	4.6
81.03456	3.5
85.06593	4.0
86.72974	2.9
95.05029	3.0
98.19894	3.8
113.02454	4.5
117.63703	2.3
125.02476	5.7
132.15541	2.6
140.37489	2.8
141.05597	8.8
181.05118	4.7
236.31619	3.1
255.23132	3.3
313.96695	3.0
329.17514	7.8
355.22809	6.0
356.33047	2.7
369.24323	3.4
371.25833	5.9
373.24042	5.0
386.01721	2.8
415.25015	100.0
416.25433	15.0
708.48126	2.6
745.41461	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	745.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79049	0.8
57.03449	3.5
58.23561	0.7
61.98843	7.4
69.94896	2.9
77.78209	0.8
81.03454	1.4
83.01379	2.4
85.59368	0.8
95.01407	1.4
98.19951	1.0
99.04543	1.1
108.02193	3.5
109.02937	1.1
113.30281	0.8
116.12840	0.7
116.38892	0.7
121.02951	1.4
121.06495	0.8
123.04520	3.1
123.41364	0.8
124.01658	1.5
125.02450	9.1
132.02205	0.9
133.02954	1.5
134.03738	2.0
135.04512	3.4
137.02417	2.0
139.04015	0.8
147.04515	2.9
148.05280	2.7
149.06075	1.6
151.00417	0.9
152.01114	1.2
159.04544	1.6
161.02425	4.7
161.06100	1.2
163.00319	0.8
163.07631	2.4
165.01889	0.8
166.06340	1.3
173.06064	1.0
175.04018	2.6
176.04817	8.9
177.05504	1.0
179.03458	2.2
180.07874	2.0
184.24741	0.7
189.05624	0.7
190.06339	1.0
191.03462	2.5
191.07088	5.8
192.07948	9.9
193.08412	1.2
198.03426	0.8
201.05513	2.3
203.03424	0.7
205.08701	0.9
207.10268	1.8
216.04321	1.5
217.04988	0.8
235.09767	1.1
243.02895	1.0
244.03766	1.4
244.07326	0.7
245.04477	3.3
247.09726	2.3
253.21727	1.0
255.02998	1.1
259.05930	4.0
259.20605	1.6
269.08188	1.4
271.02454	1.4
273.04147	4.1
275.20157	1.1
281.24774	0.9
283.09650	1.5
287.05624	4.1
288.06406	4.1
300.06207	1.9
301.21732	5.4
311.09286	4.6
312.09915	1.8
314.11652	2.1
315.08807	6.8
317.24710	1.7
325.10788	0.8
326.11600	4.6
327.12250	2.5
327.15921	1.1
329.10211	1.0
329.13989	2.2
341.13800	4.9
341.24829	2.7
351.12009	0.9
365.13852	1.0
371.15109	4.0
372.15128	1.1
385.23831	7.7
386.24118	1.1
397.23917	1.2
399.17950	3.6
451.21246	1.2
485.18237	5.4
505.25888	3.1
519.27637	1.7
520.27753	1.0
701.40106	1.4
727.38391	2.2
745.39569	100.0
746.39874	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26031	1.0
54.49310	0.9
56.93066	1.1
58.00601	1.5
59.01098	1.7
59.01382	31.2
61.97159	0.9
61.98836	6.2
64.84210	0.9
68.52525	0.9
69.43838	7.2
71.01385	24.5
72.99305	2.5
73.02930	1.2
74.41903	1.0
74.92750	0.9
83.01387	1.3
85.02940	4.1
85.26163	1.0
86.54211	0.9
87.00867	2.9
89.02449	33.7
93.03473	3.2
95.01404	1.7
96.96011	4.1
101.02444	11.8
109.02925	1.3
113.02461	12.3
116.96635	1.0
117.03448	1.0
119.02743	1.4
119.03510	12.9
121.02964	6.2
122.03757	13.4
123.00882	1.6
123.04547	1.4
124.01608	1.3
125.02434	3.0
126.92255	0.9
128.96774	1.0
131.03502	1.1
133.02934	2.7
134.03745	1.1
135.04523	2.1
136.01663	15.2
137.02432	2.3
137.06136	1.0
143.03485	3.9
145.02939	3.4
149.02460	19.8
149.04478	1.2
150.03227	87.1
151.00381	3.4
151.04022	14.1
154.02716	1.0
161.02428	3.3
161.04573	3.0
162.03224	18.4
163.03770	1.6
164.04788	3.9
165.05568	100.0
166.02707	10.4
166.05876	5.0
167.03438	1.3
169.01353	2.1
175.04007	3.3
177.05569	13.5
178.05949	1.2
179.05614	7.2
180.04268	7.1
181.05072	16.0
189.05692	1.1
190.06271	1.5
193.05154	1.3
195.06624	94.8
196.06906	4.7
201.11322	2.7
209.11815	3.9
221.08347	1.1
291.08813	1.1
301.00006	1.1
329.10318	2.0
342.11005	1.3
357.09674	4.4
357.13770	6.3
358.13641	1.8
372.11935	2.7
387.14462	31.2
388.14883	4.3
505.18744	1.1
535.19720	16.2
536.19977	2.2
547.19623	3.2
565.20410	1.1
583.21857	22.1
583.31110	1.5
584.22095	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	743.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03453	0.8
59.01381	6.4
61.98838	4.7
69.03452	1.9
71.01389	5.8
71.60702	0.7
73.02949	1.5
77.21146	0.5
78.95909	0.6
83.01414	0.7
83.05022	1.1
84.95113	0.7
85.02954	5.0
87.00873	1.7
88.98809	1.1
89.02467	3.2
96.96014	1.0
97.02953	1.2
97.06601	1.1
99.00870	0.6
99.04533	0.5
101.02445	5.1
107.47328	0.5
109.06602	0.9
113.02454	2.4
119.03516	1.3
123.36869	0.5
125.02422	1.0
125.09745	0.6
127.11315	0.8
128.50931	0.5
135.04567	0.7
137.09773	1.2
143.03535	0.8
145.05069	1.1
151.11308	0.6
153.09241	0.8
153.12854	1.6
155.10840	0.6
157.05067	0.6
161.04523	2.8
163.11316	1.3
169.12367	6.3
171.10291	14.4
172.10716	0.6
179.05589	1.0
179.10851	0.9
181.12341	0.6
183.13921	1.8
193.12392	0.5
197.11838	100.0
198.12172	6.4
201.11279	0.9
207.10266	2.2
209.11874	2.6
210.12280	0.5
211.13406	13.0
212.13780	1.1
221.11823	2.3
221.87543	0.4
225.11366	1.9
229.14476	7.2
235.08244	11.3
239.12926	1.9
253.09300	21.2
254.09671	1.5
291.19666	5.2
292.20233	0.9
309.20755	10.8
310.21103	1.3
327.21765	59.7
328.22189	6.7
433.20828	7.4
434.21167	0.6
453.10757	0.5
507.33249	2.0
545.29657	2.0
563.30676	3.2
564.31641	0.9
743.38074	1.1
744.39270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14919	0.6
57.03452	2.8
59.01369	0.8
61.78528	0.5
64.57366	0.6
65.00321	2.5
71.60844	0.8
76.60897	0.6
78.95922	3.3
78.96307	0.6
80.01981	0.6
81.03464	14.2
82.03769	0.7
83.01403	3.0
93.05572	0.6
95.01402	2.3
100.96040	0.6
102.47944	0.6
107.01447	1.7
107.69831	0.7
122.03761	2.0
123.00889	1.2
124.01652	1.6
125.02457	9.5
135.04533	1.2
149.02466	0.7
151.00359	2.7
152.01167	2.7
152.04776	1.1
152.99597	1.0
153.05585	0.9
166.02724	2.9
171.63451	0.6
179.03525	4.0
180.04253	1.8
193.05083	1.0
196.89519	2.4
207.06700	0.9
221.08162	0.7
225.00847	0.6
233.19003	1.1
235.09682	0.9
275.20352	1.7
277.21887	0.7
297.22226	0.8
299.20004	0.8
315.23343	15.7
316.23657	2.1
339.23315	8.8
340.23837	1.4
341.21231	0.8
359.22302	100.0
360.22629	14.3
383.22293	75.9
383.27414	1.6
384.22617	10.1
743.36798	3.8
744.38147	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	743.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82867	1.3
57.03449	1.6
58.00599	1.0
58.30832	1.1
59.01385	15.9
61.98833	42.1
71.01385	16.5
71.61636	1.7
72.99285	1.4
73.02940	4.4
74.72809	1.2
78.61570	1.2
79.85036	1.1
80.96554	1.9
81.03474	2.4
82.56004	1.5
82.95412	1.4
83.01374	1.8
83.05024	5.3
85.02929	3.6
87.00874	2.0
88.98810	5.4
89.02435	5.6
96.96021	11.3
97.02935	1.3
99.00898	3.0
101.02444	6.4
109.02921	1.7
109.06591	5.6
113.02447	2.6
116.92842	1.4
121.03027	2.1
123.00822	1.7
125.02451	10.2
125.09711	3.5
126.02794	1.2
127.11306	2.2
128.22917	1.1
135.08156	2.2
137.02446	1.8
142.91321	1.1
143.03560	1.7
145.03033	1.7
151.00406	1.7
151.03964	2.6
161.02466	1.5
163.03998	1.9
163.11343	7.2
165.12820	2.2
169.01443	6.6
171.10280	15.9
177.01947	2.4
179.05635	1.9
179.07050	1.4
179.10721	2.3
181.08611	1.5
181.12366	2.5
189.09021	1.5
199.09738	18.2
199.13390	1.9
201.11333	33.2
207.10272	19.4
209.11835	100.0
210.12230	6.9
225.11327	22.0
225.15887	1.2
226.11649	1.6
227.12871	17.6
235.08253	4.9
243.12386	2.2
253.09299	14.9
275.01892	1.5
282.09372	1.6
300.99786	5.0
345.13583	2.2
357.13559	1.7
391.02994	1.6
399.21466	1.8
435.18576	3.9
436.19583	1.3
445.20859	1.7
461.20306	6.4
479.21204	3.0
521.33765	1.5
609.29041	2.4
627.30371	3.8
629.32019	1.5
645.31506	4.1
653.30310	6.4
654.31213	1.5
671.32794	4.1
689.33691	3.6
690.33533	1.6
707.34906	6.8
743.30414	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	741.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32240	0.7
54.08010	0.6
57.03441	1.7
59.01388	6.7
61.98823	1.7
62.45339	0.8
69.03455	1.3
71.01392	6.6
72.99287	0.8
73.02938	1.3
75.17550	0.7
77.00800	0.6
83.05009	1.2
83.56970	0.6
85.02962	2.4
87.00897	1.3
88.98798	0.7
89.02457	4.4
93.21088	0.7
95.01409	1.0
95.05026	1.4
97.06602	4.7
97.80247	0.9
101.02438	5.5
111.08187	4.3
113.02420	2.0
119.03519	1.3
123.08124	0.9
125.02416	1.2
125.09706	2.2
139.03961	1.2
151.11292	16.0
152.11609	0.9
161.04549	1.5
167.10817	0.8
169.12355	88.8
170.12674	4.5
171.10258	1.6
185.11833	2.2
195.10303	2.9
197.10002	1.1
197.11841	19.5
198.12241	1.1
199.13461	1.2
209.11826	3.0
211.13480	3.3
213.11343	12.5
227.12982	1.0
235.08176	2.6
239.45032	0.7
253.09219	4.8
263.20084	1.1
270.82538	0.8
291.19687	3.8
292.20309	0.8
309.20663	7.1
324.30264	0.7
401.04605	0.8
405.77618	0.7
431.19360	3.7
432.19244	0.8
449.20224	8.3
450.20630	0.9
741.40717	100.0
742.41028	23.5
742.54303	0.8
758.39398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
58.00574	2.2
58.95863	2.1
59.01378	8.4
61.98828	5.5
62.82079	1.8
69.55466	14.9
71.01381	9.1
74.28672	2.2
78.95912	4.1
85.02954	2.4
89.02447	3.3
95.05048	2.5
97.06600	4.5
98.20634	2.3
98.79706	1.7
101.02455	5.3
111.08178	4.8
113.02457	3.5
125.02483	2.4
125.09684	2.0
132.65685	1.9
151.11325	15.2
153.05545	4.1
161.04593	2.6
163.11211	2.5
164.93477	1.9
167.10776	2.3
169.12335	45.8
170.12746	2.2
171.10278	3.3
185.11823	18.4
195.10287	4.0
195.13956	2.4
197.11862	28.2
198.12054	2.5
199.13319	2.1
209.11826	27.1
210.12177	6.3
211.13411	4.6
213.11308	11.2
223.13229	2.9
227.12859	6.2
228.13599	2.0
235.08188	2.8
253.09268	8.1
291.19708	3.7
293.21298	12.3
294.21649	4.6
295.22623	9.4
309.20724	11.4
741.40820	100.0
742.41119	23.0
774.28802	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	741.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17251	0.3
59.01385	20.3
61.98839	1.4
71.01391	1.1
71.05009	0.4
71.60892	0.3
71.61317	0.4
73.02943	0.4
83.05771	0.2
85.02996	0.3
87.00880	0.4
87.32423	0.3
89.02434	0.4
92.91238	0.3
96.96012	1.4
101.02444	0.8
107.69453	0.3
109.02909	0.4
111.00868	0.3
113.02447	0.7
125.02474	0.7
127.34655	0.3
139.75856	0.3
153.82114	0.3
161.04623	0.4
163.83856	0.3
167.03551	0.5
169.01430	0.9
194.57722	0.2
237.90068	0.3
300.99942	1.0
377.28427	1.1
389.28555	0.7
391.30191	0.6
407.29578	2.3
408.29666	0.6
423.28394	0.3
439.32581	0.3
451.28232	0.4
453.30249	0.3
459.31128	0.6
471.30774	0.3
501.32257	5.8
502.32471	0.9
519.33301	100.0
520.33661	17.1
535.10681	0.3
561.34454	2.3
562.34485	0.5
605.03717	0.3
681.38348	1.0
721.73102	0.4
741.29010	0.4
741.40955	2.8
742.40289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.7
61.98811	1.1
71.01390	0.9
71.05022	0.6
72.85995	0.3
77.01826	0.4
83.01369	0.3
86.95613	0.3
88.98791	0.3
89.02441	0.5
96.96009	2.4
100.57215	0.4
101.02448	0.5
113.02462	0.7
123.04506	0.7
125.02447	0.9
127.40919	0.4
145.02942	0.4
169.01442	0.9
219.65263	0.4
230.42090	0.6
292.58429	0.4
300.99887	1.2
377.28427	1.1
398.45450	0.4
407.29620	2.3
408.30048	0.6
425.30612	0.6
458.56290	0.4
459.31192	0.6
464.30835	0.6
475.34445	0.8
501.32254	6.1
502.32645	1.1
519.33234	100.0
520.33594	15.0
561.34332	2.4
562.34796	0.7
681.38867	0.7
741.39905	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	740.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08276	0.2
59.01384	1.2
61.16376	0.2
61.98833	100.0
69.03470	0.2
71.01370	0.9
78.50662	0.2
78.95930	0.3
83.05031	0.3
83.72780	0.2
85.02962	0.3
85.09248	0.2
87.00900	0.3
89.02443	0.5
89.39587	0.2
95.01395	0.3
97.02956	0.2
101.02431	1.0
111.08186	0.6
113.02469	0.4
125.02468	0.5
131.72282	0.2
151.04066	0.2
152.99603	0.3
161.04601	0.4
163.11284	0.4
169.12395	0.3
183.13911	0.9
184.14302	0.4
195.13950	0.8
197.11815	3.3
198.12213	1.2
199.13458	0.7
209.11856	5.7
210.12196	0.5
211.13411	12.7
212.13747	5.8
227.12843	1.2
235.08272	1.0
239.12941	0.4
253.09331	2.7
254.09778	0.6
277.21683	1.0
280.23764	0.3
291.19662	1.3
292.20007	1.0
293.21191	1.3
294.21698	0.8
295.22821	5.6
298.07883	0.2
309.20700	3.0
310.21039	2.4
447.22537	0.4
448.23016	0.4
505.25775	0.2
581.41144	0.2
716.39697	0.2
740.42273	0.3
741.41022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99207	0.1
57.57830	0.1
59.01376	0.4
59.48863	0.1
61.98833	100.0
62.98530	0.1
69.13348	0.1
74.65462	0.1
76.12132	0.1
76.52831	0.1
81.03487	0.2
83.05029	0.1
96.96044	0.1
115.58707	0.1
150.92758	0.1
160.63931	0.1
169.01566	0.1
183.50259	0.1
225.16118	0.1
230.40602	0.1
300.99796	0.2
307.85440	0.1
359.42487	0.1
519.33545	0.2
523.34167	0.1
678.50311	0.3
679.50800	0.4
680.50549	2.5
740.49432	1.7
741.49890	0.4
758.32391	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	741.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.8
69.30791	16.8
71.01397	2.4
71.47610	1.6
98.20660	4.0
111.21355	1.7
145.33182	1.8
195.39886	1.6
209.11844	100.0
210.12187	6.2
227.12914	24.2
235.08263	2.4
253.09341	6.8
278.46515	1.6
331.63782	1.7
368.96753	1.6
445.20807	8.7
637.32074	4.1
705.53827	1.8
709.04205	2.2
741.34662	18.1
742.34839	5.1
756.62335	2.0
761.75549	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
61.98845	0.5
69.03487	0.5
69.63872	1.8
71.01380	3.3
73.02955	0.4
80.02694	0.8
81.03465	1.1
83.01396	0.5
83.05033	4.3
84.02168	0.6
85.02962	0.7
87.00893	1.0
89.02441	2.3
95.05053	0.8
97.06595	0.4
101.02447	3.3
111.08163	0.5
111.28584	0.3
113.02446	1.9
119.03512	0.7
120.48405	0.3
121.10250	0.4
125.02479	0.5
135.08214	0.4
161.04561	1.6
163.11299	3.0
165.12837	2.0
171.10281	2.3
179.05661	0.5
179.14455	0.6
181.12373	0.9
191.10831	0.7
195.13907	6.6
196.14471	0.8
197.11853	0.6
199.13358	0.4
202.68576	0.3
205.12418	0.4
205.15854	0.4
209.11835	100.0
210.12149	5.9
211.13388	3.6
223.13412	4.5
224.13666	0.5
227.12897	11.2
228.13428	1.1
231.21239	0.4
235.08197	2.4
253.09303	16.7
254.09509	0.6
256.13217	1.1
265.21793	0.3
275.20154	7.5
276.20490	0.6
291.19727	1.0
293.21234	79.4
294.21564	8.3
309.20563	0.6
346.76648	0.4
445.20850	1.0
485.32584	0.5
503.33591	0.4
529.30280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
58.00597	2.2
58.90849	1.6
59.01382	12.9
61.98833	3.1
66.40304	1.8
71.01389	16.9
71.05023	2.5
71.60463	2.4
75.00869	1.8
78.95903	3.8
83.01394	2.5
83.05024	2.1
85.02953	5.1
87.00928	3.3
89.02449	10.0
95.01379	3.4
97.02971	3.4
99.00900	7.8
101.02460	8.7
111.08179	6.2
113.02463	7.1
119.03493	1.9
123.04573	2.1
125.02460	8.2
139.04039	2.9
141.12923	2.2
148.73862	1.8
153.05589	3.2
153.62782	1.7
161.04568	5.5
163.11288	5.6
165.12856	2.6
167.10776	2.3
169.12372	7.7
171.10297	13.1
179.05658	2.0
179.10818	2.1
180.04465	1.9
181.12349	9.5
183.13861	11.0
185.11826	9.2
195.13934	10.8
197.11830	3.1
199.13409	54.6
201.11075	2.0
207.10287	17.0
209.11865	25.7
211.13397	100.0
212.13766	6.4
223.13307	4.2
225.11319	33.4
226.11746	2.5
227.12894	80.5
228.13225	4.6
229.14435	2.0
235.08247	6.4
243.12317	6.9
245.14256	2.2
253.09256	26.3
275.20203	7.1
277.21738	31.3
278.22107	4.2
289.14417	1.9
291.19708	35.6
292.19977	4.2
293.17908	3.3
293.21225	61.8
294.21634	6.6
295.22830	4.9
311.22321	2.2
329.17728	3.1
445.20566	3.9
461.20203	7.0
463.21930	15.7
485.32986	2.8
606.00256	2.3
627.45001	1.8
721.41956	4.2
722.41650	2.1
739.42828	78.8
740.43170	20.0
758.61829	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	738.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98834	100.0
62.98550	0.3
63.99263	0.5
69.41397	0.1
69.41679	1.5
71.01392	0.5
75.00835	0.2
79.59589	0.1
79.95734	0.4
80.96518	1.5
85.02950	0.2
87.00904	0.2
88.98826	0.8
94.98081	0.3
96.96025	0.6
101.02422	0.2
116.92901	0.2
123.04520	0.2
125.02491	0.4
169.12321	0.9
170.12720	0.4
197.11792	0.2
209.11856	2.8
210.12209	1.1
225.00775	0.5
225.11324	0.2
227.12956	0.5
228.13297	0.2
228.39699	0.2
235.08417	0.2
321.06531	0.3
474.21436	0.2
476.30228	0.2
533.06586	0.2
536.34448	0.2
738.33081	0.6
739.32281	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	739.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
60.99317	0.5
61.98834	100.0
62.98530	0.8
63.99258	0.8
68.77128	0.4
71.01394	1.0
71.60097	0.5
72.99305	0.4
75.00903	0.5
78.95930	1.9
79.95746	0.7
80.96534	3.5
81.03383	0.4
81.77577	0.4
84.77962	0.4
85.02965	0.6
86.64173	0.3
87.00912	0.7
88.98812	4.5
89.02487	0.5
94.98090	0.9
95.67238	0.3
95.75068	0.4
96.96034	1.4
96.96956	0.6
101.02477	0.5
109.06619	0.5
113.02487	0.5
125.02453	0.7
126.27976	0.4
126.58140	0.4
152.99666	0.8
153.01418	0.4
163.11272	0.8
164.98647	0.4
169.01447	0.5
171.10333	0.7
187.77580	0.4
204.67993	0.4
207.10275	2.8
209.11836	5.7
211.13364	0.8
223.13570	0.6
225.00833	1.1
225.11246	2.0
227.12964	1.5
253.09367	0.8
461.20746	0.4
515.71722	0.4
635.30731	2.3
653.31580	3.0
671.32880	2.6
672.33392	0.5
721.31189	0.9
739.32153	5.2
740.33746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18391	0.3
58.81655	0.2
59.01377	0.9
60.99311	17.0
61.98833	16.3
69.46035	2.2
70.68940	0.4
71.01388	1.7
73.02953	0.4
73.86468	0.4
79.95764	0.4
80.96525	3.4
85.02950	0.4
87.00892	1.5
88.00393	0.8
88.04038	0.4
88.98811	100.0
89.02445	6.3
89.99141	0.8
90.28500	0.3
94.98121	0.7
96.96004	0.7
97.96664	0.4
101.02469	0.5
107.01409	0.4
107.44168	0.3
113.32967	0.3
113.55957	0.3
123.00876	0.6
125.02448	2.2
134.97523	0.5
140.01175	0.4
144.38925	0.3
148.99040	0.4
164.98611	0.4
169.01445	1.7
171.10275	0.8
191.64116	0.3
201.11311	0.6
209.11888	1.5
225.00790	1.0
316.10535	1.1
338.09995	0.5
414.10587	1.9
414.60794	0.7
608.79633	0.3
716.27539	0.3
739.32086	3.9
740.32574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51829	0.1
59.01387	0.4
61.98835	100.0
62.98547	0.1
63.99256	0.1
70.47282	0.1
71.01385	0.2
85.77259	0.1
89.02464	0.2
128.45612	0.1
172.67937	0.1
182.10777	0.1
183.14005	0.1
191.14503	0.1
197.11899	0.2
207.10335	0.2
209.11861	1.9
211.13522	0.4
227.13016	0.5
235.08383	0.2
253.09412	0.4
275.20166	0.2
277.21747	0.3
278.21985	0.2
289.18210	0.2
291.19800	0.3
293.21191	0.8
309.20987	0.2
334.83905	0.1
337.43512	0.1
340.38596	0.2
347.79871	0.1
398.14429	0.2
399.14426	0.3
570.90894	0.1
736.12262	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	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40632	0.1
59.01367	0.4
60.99310	0.1
61.68268	0.1
61.98833	100.0
62.98520	0.2
64.38251	0.1
70.01067	0.6
71.01389	0.3
78.95932	0.2
79.95765	0.3
80.96535	0.6
88.98827	0.2
96.96018	0.2
125.02523	0.1
153.22952	0.1
193.66177	0.1
197.11913	0.2
206.10437	0.1
209.11855	0.3
209.21796	0.1
211.13483	0.2
216.46613	0.1
225.11238	0.1
515.34131	0.1
516.34326	0.5
669.54047	0.2
738.31226	0.4
739.32556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.23007	0.6
59.01389	3.3
61.98838	39.8
64.21034	0.6
67.01879	0.9
69.03438	0.6
69.47755	4.5
71.01368	2.8
75.00862	0.6
79.01890	1.2
79.95736	1.2
80.96508	1.2
83.01389	1.0
84.97589	0.6
85.02954	1.6
87.00874	9.5
88.01222	1.1
88.98776	0.9
89.02457	0.8
94.81721	0.6
95.01395	2.3
96.95996	1.7
97.02982	1.1
99.00889	0.8
101.02451	1.6
101.33225	0.6
107.01418	6.8
109.02975	0.8
111.00880	2.6
113.02441	1.2
116.92886	1.2
121.02977	1.6
123.00104	1.1
123.00909	16.1
124.01728	1.1
125.02461	31.9
126.02798	0.8
127.00335	0.9
136.98845	1.4
137.02391	0.7
139.00397	4.5
140.01132	2.6
141.01920	1.1
151.00395	8.7
151.03963	0.8
152.45630	0.7
153.01955	1.4
161.02525	0.6
163.03989	0.7
165.05624	0.9
167.03651	0.7
168.00687	3.5
169.01443	31.8
170.01740	1.1
177.02032	0.6
177.13092	0.6
179.03554	0.6
185.16031	0.7
208.45705	0.7
209.11800	1.5
211.02505	1.8
271.04517	1.3
275.02005	1.0
280.79736	0.6
301.00061	3.1
302.00229	1.7
313.05695	1.8
361.29617	1.0
504.49634	0.7
517.31592	2.4
569.11145	1.0
587.11078	1.9
675.24640	3.6
675.35956	100.0
676.24628	1.6
676.36292	21.3
704.22870	0.7
738.35284	1.1
739.12933	4.4
739.26630	0.7
761.28058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06094	4.8
52.42432	4.1
58.45512	3.8
61.98835	14.3
69.35999	4.5
78.95533	4.0
78.95895	24.3
79.97360	3.5
98.98941	4.1
162.05147	5.2
193.25180	4.5
196.89497	74.8
209.11868	75.7
211.77782	4.7
227.12912	13.6
235.08247	13.3
246.11098	4.4
253.09291	8.7
255.20638	5.3
255.23340	100.0
256.23608	8.5
491.32178	7.8
737.29901	7.3
737.42615	33.6
738.43420	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	737.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78350	1.7
54.78041	1.8
57.03436	2.7
61.98834	4.4
68.03916	2.1
69.34980	3.4
69.35387	12.2
77.22574	1.6
77.47883	1.7
81.03457	14.0
123.04546	2.8
125.02460	10.7
153.05569	6.2
185.88210	1.7
205.15994	1.9
246.35565	1.8
277.21863	3.2
287.20197	8.8
331.19183	74.1
332.19519	9.0
356.52322	1.7
361.27441	4.3
405.26511	100.0
406.26831	16.1
447.99814	1.9
737.40015	6.1
738.40436	2.7
759.58673	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	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43616	0.3
59.01381	13.4
65.88896	0.3
69.51620	1.4
69.52035	0.5
70.31998	0.3
71.01331	0.3
80.05062	0.4
81.03458	4.5
82.03828	0.3
83.05028	14.8
84.05375	0.3
100.74044	0.3
107.06104	0.3
108.04524	0.6
125.07190	0.8
126.05653	0.5
137.74097	0.3
143.08258	0.5
201.90323	0.3
204.81190	0.3
207.15056	0.9
224.17680	2.2
225.16081	11.6
226.16359	0.7
242.18813	0.4
291.20743	0.3
309.21756	0.6
341.29202	0.6
367.26889	1.4
407.33875	0.4
433.31747	1.0
450.34644	0.9
451.32910	7.3
452.32996	1.1
459.01358	0.3
550.43817	0.6
565.45026	0.3
593.44177	0.6
659.48560	0.9
677.49689	100.0
678.50043	24.9
678.62439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
61.98830	0.9
69.03465	4.8
70.16291	1.5
70.16683	1.5
71.01394	6.1
71.05012	1.8
73.02959	1.0
78.95878	0.9
80.96521	2.6
83.05035	0.8
85.02930	1.0
87.00874	1.1
89.02438	2.3
94.98126	0.7
95.01322	0.7
97.02957	0.6
97.06576	1.3
99.00856	0.7
101.02457	3.4
109.06573	1.2
113.02425	2.2
119.03390	0.7
123.08207	0.9
125.02466	0.9
125.09721	2.7
138.23125	0.7
139.04034	0.8
151.11305	2.5
153.05513	1.0
153.12849	1.5
161.04471	0.9
161.09715	3.8
163.11252	0.9
167.03163	0.7
169.12328	1.5
176.94238	0.7
179.10789	6.9
181.65852	0.6
197.11847	44.1
198.12198	3.4
207.10277	2.3
209.11774	0.6
223.09581	1.0
225.11351	5.8
235.08250	1.6
241.10793	2.6
253.09265	2.6
255.23203	0.8
277.21741	48.7
278.22064	4.9
287.39493	0.8
293.21243	2.6
314.17828	0.7
367.17398	0.7
461.20209	1.0
477.19788	1.7
616.28021	0.8
737.41174	100.0
738.41425	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	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34128	0.3
57.03459	1.0
59.01387	5.8
61.98838	1.3
65.32069	0.3
68.56561	0.3
69.03490	0.3
70.21338	0.8
70.21716	0.7
71.01388	4.2
72.99375	0.5
73.02969	1.0
76.63578	0.3
80.02697	0.6
81.03464	1.5
83.01405	0.5
83.05032	4.1
84.02173	0.8
85.02976	0.9
87.00893	0.9
89.02453	2.4
95.01412	0.3
95.05048	1.1
97.02969	0.7
101.02457	3.4
109.06611	3.7
111.08175	7.3
113.02464	1.8
113.09750	0.5
119.03455	0.4
121.06615	0.6
123.04569	0.4
125.02461	0.4
125.06126	0.4
125.09747	0.5
135.08203	0.9
135.11780	0.5
137.09747	0.6
143.03461	0.4
145.05043	0.4
149.09723	0.5
151.11258	0.5
161.04543	1.4
161.09705	0.3
163.11311	4.8
165.12929	1.6
167.10788	1.7
168.11148	0.3
169.12398	0.3
171.10312	0.8
177.12921	1.4
179.05556	0.5
179.10802	1.1
181.12344	1.1
191.10724	0.5
195.13905	6.5
196.14290	0.4
197.11880	0.5
200.57701	0.3
203.14555	0.4
207.10291	9.2
208.10664	0.6
209.11847	80.0
210.12166	5.5
211.13466	1.1
223.13425	0.6
225.11395	4.5
226.11670	0.4
227.12901	12.9
228.13153	0.8
235.08264	2.9
243.12453	0.3
247.20720	2.5
253.09320	11.8
254.09708	0.5
273.18661	1.2
275.20181	0.8
289.18100	0.4
291.19678	100.0
292.16754	0.6
292.20029	10.8
293.21268	12.2
294.21616	0.9
295.05777	0.4
309.20724	0.4
329.21329	0.7
378.26852	0.4
439.32425	0.3
443.19293	0.4
445.20651	0.8
461.20297	0.9
465.21399	0.3
483.31277	0.6
509.27753	0.7
527.28705	6.6
528.28918	1.3
719.40137	0.8
737.41095	3.8
738.41602	1.0
752.24072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01387	13.3
61.98828	1.6
65.46799	0.6
71.01385	8.6
71.05028	0.8
71.61297	0.8
72.99286	1.0
73.02942	1.7
75.72918	0.7
78.95920	1.4
80.02689	1.5
81.03464	3.8
83.01383	1.1
83.05022	3.8
85.02957	2.6
87.00883	2.0
89.02456	3.9
95.01382	1.1
96.96013	3.3
96.96964	1.6
97.02960	6.4
97.06606	1.3
99.00878	1.5
101.02448	7.6
106.52947	0.7
109.06602	36.0
110.03733	1.3
110.06958	1.7
111.08205	1.7
113.02483	4.1
113.09736	0.9
114.03586	0.8
119.03534	1.3
121.06599	2.3
121.10261	1.0
123.04539	3.3
125.02456	1.6
125.09712	1.4
135.08163	3.7
136.05341	1.5
139.04100	0.9
142.02750	1.7
161.04561	2.2
161.09729	2.7
163.11299	21.7
164.11679	1.4
165.09178	0.8
165.12889	1.3
171.10257	3.5
179.05609	1.3
179.10818	2.0
181.12366	5.7
183.13893	0.8
185.11781	0.9
189.09250	4.4
195.13884	8.2
199.13341	1.2
205.12347	1.2
207.10274	100.0
208.10561	6.3
209.11845	35.0
209.13406	0.4
210.12157	2.3
211.13425	11.1
223.13403	6.5
225.11330	39.6
226.11676	3.8
227.12891	4.4
235.08304	6.7
243.12436	1.2
253.09303	25.0
254.09570	1.6
273.18735	0.8
275.20184	7.3
276.20502	0.7
281.13940	1.3
289.18079	2.1
291.19684	20.1
292.19977	1.9
293.21255	96.4
294.21570	10.0
294.24637	0.9
299.15073	1.4
300.99835	0.8
307.19092	2.3
443.19238	4.2
445.20419	1.0
457.33173	0.7
461.20316	12.9
462.20792	1.2
483.30853	1.7
501.32614	1.1
527.28784	1.3
575.35107	0.9
719.40302	3.5
720.39063	1.0
737.41199	38.5
738.41510	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03444	0.6
57.12196	0.2
58.00598	0.2
59.01382	3.6
61.57572	0.2
61.98829	1.0
69.03455	0.4
71.01385	2.6
71.05057	0.3
73.02966	0.5
73.10880	0.2
78.95862	0.2
80.02692	0.9
81.03477	1.1
83.01401	0.5
83.05027	4.4
84.02187	0.7
85.02962	0.9
89.02456	1.9
93.03477	0.3
95.05010	1.0
97.02971	0.5
97.06565	0.2
98.55541	0.2
101.02450	2.5
109.06593	1.9
111.08163	4.3
113.02480	1.5
113.06102	0.2
119.03528	0.6
121.06562	0.4
125.02444	0.2
125.06090	0.6
135.08171	1.0
137.09743	0.4
139.11423	0.3
147.11855	0.3
149.09744	0.3
161.04604	1.0
163.11302	4.4
165.12857	2.5
167.10773	1.1
171.10251	0.9
177.12843	0.9
179.05653	0.4
179.10776	1.0
181.12328	0.5
183.13950	0.2
191.10793	0.4
195.13878	2.7
207.10248	4.8
209.11835	100.0
210.12170	6.9
211.13394	0.6
219.88284	0.2
225.11372	2.6
227.12885	12.8
228.13239	0.9
235.08223	2.5
247.20622	1.0
253.09290	8.3
254.09621	0.6
273.18585	0.7
275.20148	0.4
291.19659	49.9
292.20001	5.3
293.21216	4.1
294.21603	0.4
329.21326	0.4
359.66946	0.3
424.21759	0.2
445.20837	1.5
461.20255	0.7
463.21588	0.4
483.30814	0.6
509.27390	0.5
527.28284	1.2
719.40076	0.8
737.41205	1.9
738.41522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98560	0.3
59.01383	1.0
61.98833	100.0
62.98528	0.9
63.99258	0.6
65.63119	0.3
69.94968	0.9
69.95371	0.6
71.01388	0.8
75.00858	0.4
78.95895	0.4
79.95745	0.4
80.96526	1.1
81.03439	0.3
83.01379	0.5
83.05036	1.0
87.00908	1.0
88.98831	0.6
89.02440	0.4
94.98096	0.5
96.96027	0.7
101.02490	0.4
113.02490	0.4
116.92850	0.4
117.05580	0.3
125.02427	0.4
163.11304	0.5
165.12862	0.6
169.12340	1.5
171.10219	0.7
190.76378	0.3
191.10889	0.4
197.11810	0.3
199.13373	0.4
201.11264	0.4
209.11835	28.8
210.12169	2.1
225.00710	0.4
227.12906	4.4
235.08226	0.6
253.09344	1.5
301.00113	0.5
375.76816	0.3
445.20932	1.0
695.34808	0.3
737.29407	1.4
738.31421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51500	0.6
59.01382	19.6
69.30870	1.3
69.31279	4.5
79.95345	0.7
79.95772	1.9
84.55782	0.6
96.96014	66.5
121.02944	1.7
125.02442	3.8
125.10704	0.6
149.02322	0.7
151.00304	0.9
161.02425	0.8
165.01859	0.6
165.05605	1.1
165.09180	0.8
166.02666	0.8
169.01430	2.1
177.01877	0.9
208.26048	0.6
225.07887	0.8
225.11322	20.5
226.11571	1.2
249.04037	1.1
275.02100	0.8
300.99854	2.7
302.00262	0.6
305.06995	100.0
306.07300	7.0
365.14606	1.0
371.09741	1.8
487.49066	0.7
644.76044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98835	5.2
62.39489	0.5
63.96228	1.1
69.03468	0.6
69.43611	2.4
69.44030	2.0
71.01393	7.5
72.99274	0.6
73.02955	1.4
78.98599	7.0
79.95742	15.6
80.96521	75.8
81.03462	1.3
83.01395	0.5
85.02944	3.2
87.00906	2.8
87.74028	0.5
88.98798	0.5
94.98093	16.2
95.01406	0.6
96.96018	10.9
97.02941	2.0
99.00874	1.0
101.02442	3.3
106.98098	3.5
122.97588	4.0
125.02440	3.7
127.04071	0.9
134.97612	5.6
136.99150	1.4
148.99135	6.4
151.00356	0.7
152.98637	6.7
163.11263	0.8
164.98639	14.6
169.01436	0.6
179.00040	0.9
198.66240	0.7
206.99738	4.0
209.11852	5.4
225.00746	24.3
226.01030	1.1
271.02411	2.1
300.02679	4.7
301.03513	3.1
435.13345	4.2
509.16937	4.4
510.17682	0.6
657.21796	1.7
737.30609	100.0
738.30927	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	737.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37555	0.6
59.01387	4.2
61.98836	100.0
66.08302	0.5
70.35660	1.2
71.01386	19.3
73.02988	0.7
75.00890	0.7
79.95754	4.7
80.96521	10.3
81.03471	0.9
83.05021	1.4
85.02928	0.9
87.00866	1.4
88.98839	2.3
89.02482	1.3
94.98103	2.1
96.96030	3.6
97.02968	1.4
99.00862	0.9
101.02467	2.0
109.06572	3.6
113.02455	0.9
116.92908	0.6
122.97641	0.7
125.02460	0.9
125.09756	1.9
134.57770	0.6
134.97571	0.7
161.04668	0.7
161.09705	1.1
163.11336	2.6
164.98686	1.6
169.01414	0.8
171.10254	4.2
181.12418	1.2
185.11830	0.7
197.11862	1.2
198.12325	0.6
199.13460	1.5
201.11409	1.3
205.08743	1.0
207.10291	8.2
209.11848	12.3
210.12262	1.5
211.13451	2.1
223.09796	2.4
225.00768	3.0
225.11333	7.3
227.13005	2.2
237.14967	5.8
243.12598	0.9
253.09306	2.7
255.16063	2.4
273.17175	1.9
274.17645	1.1
379.82986	0.7
452.27615	0.8
461.20523	0.7
504.92102	0.7
515.34045	2.5
607.28589	0.9
687.32104	1.1
698.94171	0.7
719.30127	2.4
737.30389	11.8
738.30566	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	737.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98837	17.4
63.96255	1.0
65.00320	1.5
69.03465	1.4
69.33604	8.0
71.01381	7.3
72.99297	1.1
78.98598	4.5
79.95271	1.3
79.95735	17.7
80.96520	62.4
81.03470	1.2
83.01398	1.9
85.02959	1.3
87.00894	2.8
94.98093	13.7
95.95219	1.9
96.96017	100.0
99.00997	0.9
101.02446	2.0
106.98090	1.9
107.01392	2.6
109.02958	2.1
115.35989	0.9
121.02961	2.1
122.97594	2.8
125.02452	2.8
134.97574	3.8
136.99126	1.2
148.99153	5.3
151.00371	10.1
152.98642	6.7
163.00360	1.3
164.97446	1.4
164.98659	12.0
178.99829	6.0
180.93198	0.9
201.05765	0.8
206.99640	2.4
209.11836	3.2
217.95610	0.9
225.00745	24.5
227.03435	2.6
227.13263	0.8
240.04126	0.8
241.00487	0.9
243.02885	3.4
245.04521	1.4
255.02980	8.3
256.03418	1.0
265.70480	0.9
271.02499	20.2
272.02902	2.5
273.08060	2.7
282.36533	0.9
291.09146	4.1
300.02759	38.8
301.03510	36.0
302.03812	2.6
353.09924	0.7
408.62875	1.0
435.13284	39.1
436.13535	3.9
463.09015	6.9
509.16858	3.3
629.19531	1.1
657.21930	16.5
658.22186	3.5
672.10547	1.0
737.17529	30.1
737.30609	90.3
738.17572	6.6
738.30896	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
64.11449	0.6
67.01880	1.2
69.03483	0.5
69.53345	3.6
71.01391	3.0
72.99315	0.7
73.02942	0.9
83.01366	0.9
85.02953	2.3
91.92005	0.5
95.01374	1.6
96.96029	1.0
98.20625	0.7
98.35704	0.5
99.00901	0.9
99.06937	0.6
101.02460	2.5
107.01407	1.9
111.00902	3.2
113.02461	1.5
123.00900	9.1
125.02459	10.7
126.02728	0.5
136.98784	0.6
139.00359	3.3
140.01131	1.9
141.01933	0.8
151.00378	7.3
168.00647	2.4
169.01430	13.9
170.01729	0.8
203.10796	0.5
215.43480	0.5
234.16670	0.6
246.20949	0.5
248.03442	0.6
249.03935	0.9
249.06223	2.2
264.98755	0.5
275.01974	0.8
280.60144	0.5
300.99908	1.6
313.05618	1.4
361.07697	5.0
375.09326	100.0
376.09656	10.1
466.02963	0.8
537.95905	0.5
545.29926	0.7
623.10797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.2
63.81405	0.4
67.88930	0.5
69.25450	0.4
69.97041	2.3
77.26739	0.5
77.67754	0.4
79.95763	1.6
86.64094	0.4
96.61098	0.5
96.96017	65.9
97.06581	0.5
98.19935	0.7
147.08176	1.0
168.19630	0.5
225.11339	22.7
226.11635	1.6
305.07016	100.0
306.07343	8.9
332.47354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42928	0.3
59.01385	1.2
59.14007	0.3
61.98835	25.7
69.03461	0.3
69.53441	1.5
69.53846	0.5
71.01396	1.2
73.02957	0.4
75.06780	0.2
79.95749	0.4
80.96511	1.7
83.01366	0.4
85.02963	0.8
87.00884	9.0
88.98824	1.3
89.02470	0.5
93.03497	0.4
95.01418	1.1
96.96019	1.1
97.02968	0.5
101.02437	0.7
107.01412	4.6
109.02953	0.4
111.00878	0.5
113.02477	0.4
116.92844	0.5
117.03474	0.3
119.03529	0.3
119.05049	0.9
121.02954	1.1
123.00898	2.7
123.04514	0.3
125.02460	11.1
126.02783	0.3
127.13049	0.3
129.03471	0.6
133.02937	0.5
135.04514	1.0
137.02431	0.5
139.00423	0.9
140.01109	0.4
145.02943	2.0
147.04524	0.8
149.02394	0.6
150.03226	1.1
151.00351	1.3
151.03920	0.5
152.04834	0.5
157.02936	0.9
158.03757	0.4
159.04529	0.6
161.02422	0.6
163.04018	1.6
164.98601	0.3
165.01945	0.5
165.05557	1.1
166.05942	0.3
167.03531	0.3
168.00616	0.9
169.01443	13.1
170.01811	0.5
173.02449	2.3
175.04019	1.2
177.01956	0.3
179.03506	0.5
185.02423	3.3
189.01950	1.2
190.02704	0.6
191.03540	1.5
195.06531	0.4
197.11873	0.4
201.01942	3.2
202.02533	0.6
203.03505	2.2
209.11874	0.9
211.02504	0.6
213.01968	1.1
217.01436	1.2
218.02119	0.5
219.03027	0.5
225.00656	0.4
226.99869	0.5
228.00661	0.4
229.01408	7.1
230.01753	0.6
231.03018	1.2
244.00034	0.3
245.00900	2.9
246.01491	0.5
247.02541	0.9
249.04109	0.3
257.00900	5.6
258.01614	1.6
259.02332	0.3
273.00385	1.8
274.01230	1.5
275.01996	17.3
276.02328	1.1
283.99673	2.7
285.00214	0.3
299.99115	3.2
300.99899	100.0
302.00278	6.8
313.05716	0.6
435.09103	0.6
453.28540	0.4
567.07867	1.5
585.08905	5.5
586.09082	0.8
615.33820	0.7
673.34241	7.6
674.23315	0.2
674.34778	5.4
675.22900	1.7
675.35730	0.9
705.33173	0.4
737.10022	17.1
737.29346	2.7
738.10510	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	737.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
61.98835	14.0
63.02402	1.1
63.96231	2.1
69.32970	8.6
71.01385	6.6
78.32622	0.8
78.98576	5.9
79.95741	17.1
80.96523	60.3
85.02960	1.9
87.00864	3.1
88.98807	1.6
94.98088	13.9
96.96017	100.0
97.02940	1.1
99.00900	1.7
101.02429	3.4
102.88288	0.8
106.98092	3.9
107.01395	3.5
107.59405	0.8
109.02944	1.7
120.67951	1.1
121.02962	1.5
122.97596	2.8
125.02471	3.6
125.53572	0.9
134.97612	5.8
143.93904	1.0
148.99138	7.0
151.00378	7.8
152.98659	5.1
163.00392	2.1
164.98647	12.6
178.99883	3.6
194.31055	0.9
197.11771	1.0
206.99626	2.1
209.11784	4.6
211.04012	1.1
218.12578	0.9
225.00755	22.3
226.02612	1.0
227.03511	1.9
243.02960	1.8
245.04562	1.1
255.02982	10.5
271.02448	16.7
272.02930	1.4
273.03943	1.1
273.08093	1.5
283.02460	1.1
291.09174	2.3
299.99329	2.2
300.02756	37.7
301.00085	1.9
301.03528	38.7
302.03931	3.4
363.11423	1.3
384.00046	1.1
435.13300	35.9
436.13519	3.4
463.08807	5.3
480.21478	1.0
509.16791	4.0
657.21796	15.3
658.22290	3.5
737.17578	30.5
737.30634	89.5
738.18115	5.5
738.31165	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	736.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98833	100.0
62.98535	0.2
65.77451	0.1
67.86087	0.1
69.54940	1.0
71.01399	0.2
72.69498	0.1
78.95917	0.1
79.95747	0.2
80.96532	0.4
197.11835	0.5
207.10304	0.3
209.11787	0.6
210.01796	0.2
211.13448	0.5
253.09409	0.2
291.19696	0.1
303.92770	0.1
597.88257	0.1
737.33557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90837	0.2
59.01378	1.0
61.98833	100.0
65.34241	0.2
69.51459	0.4
69.51870	0.9
71.01395	0.9
78.95914	0.6
80.96489	0.2
83.05018	0.2
88.21992	0.2
89.02458	0.5
97.03014	0.3
98.10425	0.2
101.02440	0.3
104.78209	0.2
107.31603	0.2
109.06638	0.2
125.02415	0.4
147.86836	0.2
148.24730	0.2
163.11287	0.3
171.10266	0.2
195.13747	0.3
207.10326	0.5
209.11856	1.5
210.12308	0.3
211.13370	1.3
225.11266	1.5
227.12958	0.3
235.08318	0.3
253.09338	0.5
277.21851	0.6
278.22208	0.5
289.18137	0.9
291.19684	0.5
293.21262	1.0
344.55615	0.2
397.13736	0.9
398.13962	0.6
461.20258	0.2
485.23975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56412	0.1
55.58414	0.1
55.90542	0.1
59.01382	0.2
61.29036	0.1
61.98833	100.0
71.28583	0.1
78.03333	0.1
78.95934	0.2
98.20644	0.3
148.55312	0.1
152.99586	0.2
163.11227	0.2
171.10252	0.1
199.13336	0.2
207.10242	0.4
209.11841	1.2
211.13397	1.7
212.13716	0.9
213.14070	0.3
225.11301	0.3
225.27403	0.1
227.12909	0.3
235.08131	0.1
253.09344	0.3
291.19708	0.5
293.21390	0.2
306.75162	0.1
309.20621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42886	0.1
59.01393	0.5
60.57775	0.1
61.98834	100.0
70.34193	0.3
70.34560	0.3
71.01392	0.5
76.21119	0.1
78.06928	0.1
78.95924	0.2
79.63290	0.1
79.95750	0.4
80.02702	0.2
80.96510	0.7
83.05041	0.5
89.02473	0.3
94.41305	0.1
94.98107	0.2
97.06558	0.1
97.44106	0.1
101.02445	0.3
111.08205	0.2
111.36474	0.1
121.10247	0.4
125.02490	0.2
125.09766	0.3
163.11325	0.5
165.12817	0.2
171.10368	0.4
181.12257	0.1
185.11873	0.5
195.13922	0.2
197.11920	0.2
209.11832	10.2
211.13263	0.6
225.00746	0.2
227.12881	1.4
235.08284	0.3
253.09315	1.0
273.18665	0.2
291.19659	8.5
329.21082	0.2
355.17480	0.1
419.23807	0.1
445.21512	0.2
509.27856	0.1
527.28949	0.5
576.66608	0.2
719.41022	0.2
737.31207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
61.98835	46.7
63.74749	0.5
65.00340	0.5
67.01891	1.0
69.30991	5.6
71.01389	2.4
72.99309	1.0
73.29453	0.6
78.95912	0.6
79.01906	1.4
79.95752	2.1
80.96539	1.1
83.01383	1.2
85.02969	1.6
87.00873	1.1
88.98803	1.8
89.02458	1.3
95.01376	2.1
95.83311	0.6
95.95258	0.7
96.96019	30.3
97.02962	1.2
101.02435	1.4
107.01379	6.1
109.02937	1.1
110.27181	0.6
111.00881	2.0
113.02449	1.8
123.00892	14.9
125.02446	18.4
135.04564	1.2
136.98866	1.0
137.02435	0.7
139.00381	4.7
140.01172	2.2
141.01912	0.9
151.00381	13.2
153.01955	1.1
163.00352	1.0
163.04007	1.4
165.05563	0.9
168.00613	2.5
169.01427	22.3
170.01834	1.1
178.99866	2.1
187.13364	1.3
201.11279	1.4
209.11873	3.7
211.02463	1.6
227.03403	0.6
243.02954	1.0
245.04517	0.8
255.02968	3.7
259.94830	0.5
271.02356	9.4
271.04654	1.2
273.08121	0.8
291.09045	1.8
300.02747	15.9
301.00128	1.3
301.03543	11.5
313.05667	2.5
340.67200	0.6
358.34882	0.6
374.06909	0.6
435.13330	11.1
452.26694	0.6
453.28342	0.9
463.08835	1.7
615.33875	2.3
643.33496	1.7
657.21942	7.0
673.34399	100.0
674.34662	19.2
687.32318	1.1
692.96857	0.7
705.33710	1.3
737.17700	13.8
737.36847	3.2
758.22260	0.7
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
55.52062	0.2
61.16014	0.2
61.98833	100.0
62.98558	0.2
71.03577	0.2
71.03976	0.2
98.20721	0.4
145.54832	0.2
166.56952	0.2
174.66269	0.2
229.14227	0.2
252.32597	0.2
265.07126	0.2
271.64734	0.2
313.10519	0.2
386.67294	0.2
511.37988	0.2
523.33350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.9
57.04533	1.4
61.98832	1.9
62.93826	1.3
63.90849	1.4
66.70519	1.4
71.01368	3.1
72.65917	1.3
78.95909	4.1
79.95741	2.5
80.96522	22.3
81.03465	5.9
86.94007	1.5
94.98086	5.8
97.03053	1.4
119.16984	1.6
122.03772	2.4
125.02442	5.1
138.03142	1.7
148.99211	2.0
152.99632	2.8
164.98671	1.9
179.89209	2.2
196.89575	2.1
225.00758	4.5
343.26443	11.8
347.22247	1.9
387.25412	100.0
388.25757	13.2
735.28473	3.2
735.39899	29.4
736.40582	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	735.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35193	0.5
59.01383	0.7
62.51185	0.5
63.96231	1.8
65.98125	0.6
69.03460	0.9
71.01394	9.3
73.02972	1.9
78.98595	6.9
79.95747	15.6
80.96526	86.6
81.03480	0.6
85.02960	4.1
87.00884	3.2
94.98100	20.0
95.01440	0.8
96.96028	1.1
97.02961	1.2
101.02470	3.2
106.98090	4.7
122.97623	3.1
125.02464	3.6
127.04029	0.6
134.97586	5.7
136.99159	1.2
148.99139	7.3
149.88684	0.5
152.98643	7.5
153.05510	0.5
161.16913	0.5
163.93491	0.5
164.98634	14.3
167.00201	0.7
197.11848	1.7
206.99709	3.7
221.31303	0.6
225.00755	20.6
229.27512	0.9
255.23322	1.7
412.03629	0.7
479.15994	3.5
537.27618	1.5
735.40002	100.0
736.40332	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47869	0.2
55.01862	0.3
57.03450	0.6
59.01383	4.9
61.98829	0.2
62.17118	0.3
69.03458	1.8
69.48029	0.2
69.79129	1.5
70.84346	0.3
71.01387	4.3
71.05015	1.0
73.02938	0.6
83.01395	0.6
83.05026	0.5
85.02948	1.0
85.06606	0.5
87.00879	0.8
89.02442	2.9
93.03476	0.4
95.05017	0.5
97.02953	0.3
97.06616	0.5
99.00869	0.3
99.14428	0.3
101.02450	3.5
109.06631	0.5
111.08166	0.6
113.02457	1.8
119.03519	0.7
123.08150	0.4
125.09737	0.5
135.11795	0.4
143.03555	0.3
145.05098	0.3
149.09756	0.5
161.04616	1.7
161.13348	0.4
164.13019	0.3
167.10791	3.3
171.10307	0.6
177.12862	0.8
179.05630	0.8
179.10745	1.1
179.14397	3.5
181.12674	0.3
186.68109	0.3
195.13910	14.8
196.14291	1.3
205.12346	10.5
206.12669	0.6
207.09865	0.3
209.11839	0.4
211.13470	0.4
223.13400	100.0
224.13730	6.8
225.14932	0.5
228.13716	0.7
231.21213	0.6
235.08237	3.8
236.08746	0.3
239.12982	0.3
253.09305	16.8
254.09633	0.8
256.13245	0.9
275.20184	5.1
276.20425	0.4
285.30554	0.3
291.19650	0.4
293.21237	80.3
294.21573	8.5
391.28363	0.3
396.59351	0.2
441.21265	0.4
459.22363	10.8
460.22604	1.7
492.22043	0.4
499.34134	0.7
529.30157	1.4
530.30927	0.3
614.06396	0.3
735.41974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.84808	0.9
57.03437	1.5
57.97547	1.1
59.01377	7.8
61.98833	80.5
68.56567	0.9
69.03446	3.3
71.01378	12.4
73.02940	4.1
80.02701	1.1
81.03471	2.2
83.01380	2.8
83.05025	4.3
84.02174	1.7
85.02958	4.0
87.00871	2.6
88.98812	0.9
89.02461	5.5
95.01379	1.1
95.05030	1.6
97.02950	4.3
99.00868	1.9
101.02431	6.1
104.74551	0.9
109.06601	3.8
111.00848	1.3
113.02448	4.5
116.92853	1.7
119.03539	1.5
123.08135	1.1
125.02393	0.9
125.06126	1.2
125.09686	5.0
127.11286	2.9
135.08118	1.7
142.02727	1.4
143.03534	1.0
146.05217	0.9
149.09648	1.1
161.04518	2.5
161.09651	1.2
163.11308	11.0
165.12820	2.8
169.12294	1.6
171.10271	40.6
172.10626	2.1
179.10786	2.5
180.59366	1.0
181.12315	2.4
182.13196	1.2
185.11794	1.9
191.10757	2.3
197.11850	27.0
197.13708	1.7
198.12151	2.1
201.11340	17.0
202.11806	1.0
207.10272	29.9
208.10588	1.5
209.11819	73.1
210.12207	6.4
211.13457	1.9
215.12823	2.0
217.62793	0.9
223.13414	1.3
225.11304	27.1
226.11624	2.3
227.12854	6.7
235.08174	5.2
239.12872	20.6
240.13217	1.3
243.12401	1.4
253.09262	20.2
254.09520	1.0
271.15494	2.9
273.17084	100.0
274.17355	7.5
277.09106	1.2
295.10263	1.4
407.19312	1.2
427.26636	1.9
433.20877	2.0
445.20770	1.6
461.20178	4.7
461.94287	1.1
717.36841	1.7
735.38538	1.8
735.49628	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	735.4
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
63.96246	2.3
69.03458	1.0
71.01380	10.1
73.02946	2.0
76.10747	0.7
78.98602	7.7
79.95744	15.7
79.96197	1.4
80.96523	91.1
81.03468	0.8
85.02966	3.0
87.00898	3.8
94.98097	20.5
97.02963	1.2
99.00866	1.0
101.02460	2.4
106.98073	4.7
122.97593	3.8
125.02443	3.0
127.04072	0.9
134.97588	6.5
136.99158	2.2
148.99168	7.2
152.98624	5.3
160.69826	1.0
164.98643	14.0
165.99074	0.9
197.11794	1.9
206.99728	2.7
225.00771	21.0
255.23242	2.0
356.90594	0.7
453.92773	0.8
479.16003	2.7
537.27197	2.1
735.39978	100.0
736.40271	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	735.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18730	1.0
55.45511	1.0
57.03450	1.4
58.00598	1.2
59.01384	34.1
61.98838	10.3
69.03450	2.3
69.73310	5.5
71.01385	30.7
72.99306	2.9
73.02946	4.3
81.03455	1.7
83.01394	3.8
85.02964	6.0
87.00883	6.6
89.02449	25.1
93.43021	1.0
95.01407	1.1
97.02953	6.0
98.46107	1.1
99.00852	1.5
101.02454	24.4
109.02985	1.2
109.06578	1.2
111.04546	1.6
113.02453	11.8
119.03524	5.8
125.02439	10.7
131.03445	1.1
143.03516	4.0
161.04581	5.3
163.11203	1.1
179.05605	6.2
185.04620	1.2
207.10283	2.1
209.11763	3.4
211.13388	3.8
213.14928	1.3
221.06549	2.2
225.11305	3.2
230.73233	1.0
232.20883	1.1
235.08220	10.8
253.09236	3.0
263.07822	1.5
277.21725	74.7
278.22073	7.5
287.07761	3.3
291.19574	2.1
293.21027	1.1
305.08710	5.1
323.10178	1.4
326.34641	1.1
397.13519	100.0
398.13815	9.5
415.14566	35.0
416.14764	2.3
695.88220	1.1
735.39740	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33783	0.3
56.09742	0.4
58.56669	0.3
61.98106	0.3
70.29346	1.3
70.39809	0.3
89.93858	0.3
93.08972	0.3
145.02971	1.0
157.02934	0.7
169.01353	0.5
170.37701	0.4
173.02403	1.1
185.02463	2.4
199.00395	0.4
201.01932	2.3
217.01295	0.6
218.35777	0.3
226.99881	0.4
229.01410	3.0
231.49893	0.3
245.00829	1.4
257.00891	1.2
271.02371	0.4
283.99631	2.1
299.99066	2.2
300.02231	0.4
300.99884	100.0
302.00201	7.7
618.55829	0.4
620.16949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78773	0.1
61.98834	100.0
62.98532	0.2
63.71492	0.1
69.66884	0.9
88.98834	0.2
92.99930	0.1
102.43396	0.1
103.11622	0.1
112.71689	0.1
125.83138	0.1
133.17133	0.1
156.03624	0.2
185.00615	0.2
195.25423	0.1
197.11836	0.1
209.11842	0.4
541.56183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13618	0.8
59.01373	2.4
61.98532	1.0
61.98830	17.0
62.63004	0.8
67.15844	0.8
70.74358	1.0
70.74692	1.5
70.78330	0.7
71.01374	2.9
71.94159	0.7
72.99283	0.8
73.02948	0.9
74.99103	1.0
81.18346	0.7
83.01385	1.2
85.02969	0.9
88.98794	1.2
95.01393	1.7
96.96006	1.6
97.02933	0.8
101.02448	1.0
104.57809	0.8
107.01392	4.2
111.00877	2.1
113.02425	1.2
123.00895	12.2
125.02451	22.8
126.02784	2.4
135.04457	1.1
136.98944	2.3
137.02417	1.0
139.00337	3.9
139.04010	0.9
140.01147	3.7
151.00354	7.5
168.00589	3.9
169.01431	25.1
170.01746	1.8
177.03961	0.9
211.02495	5.9
215.00917	0.9
268.55096	1.0
271.04642	4.8
301.00024	1.3
313.05609	1.2
313.16721	0.7
360.14865	1.1
564.18237	2.2
641.31903	1.9
668.57880	1.0
671.32837	100.0
672.33252	19.5
704.03345	1.0
734.19440	0.9
735.30981	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	733.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.5
69.55122	5.5
69.55530	10.7
73.13503	2.1
74.00684	1.8
78.95924	2.3
79.52378	2.1
79.95711	2.9
80.96523	11.2
81.03460	8.7
93.46288	1.9
95.04993	5.5
97.47852	2.3
101.03608	2.1
125.02443	7.7
126.47493	2.0
137.06099	3.3
139.04021	9.2
139.04999	2.1
196.89484	2.8
209.11783	2.3
227.02232	2.3
231.06909	2.0
246.96643	1.9
303.23273	11.0
341.24789	12.3
342.77057	2.4
347.22293	100.0
348.22552	11.1
385.23871	98.8
385.28943	5.2
386.24338	11.4
733.38391	15.0
734.39240	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	734.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61370	0.1
59.01382	0.2
61.98834	100.0
62.98528	0.2
71.01391	0.2
72.99313	0.1
74.30036	0.1
88.98837	0.2
96.95989	0.1
116.92873	0.2
125.02424	0.3
169.01410	0.2
171.10220	0.2
197.11873	0.5
209.11850	1.0
210.12254	0.5
227.12987	0.2
254.92230	0.1
273.17371	0.2
671.33344	0.3
734.37427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25664	0.4
57.03455	2.3
58.03746	0.4
59.01386	6.1
61.98833	1.7
64.36497	0.4
69.03452	2.3
71.01392	4.4
71.05029	0.7
71.60912	0.6
73.02958	0.6
83.01369	1.0
83.05032	1.2
87.00883	0.6
87.64771	0.5
89.02458	2.5
93.03475	0.6
95.05022	0.8
97.21649	0.4
101.02456	3.3
104.06917	0.5
109.06615	1.0
111.08167	8.7
113.02467	2.4
119.03530	0.7
125.02428	3.8
125.09724	0.7
133.10054	0.5
137.09683	0.6
139.04033	0.7
145.05029	0.6
149.09721	1.3
161.04543	1.1
167.10765	3.9
177.12840	2.6
179.05576	0.7
179.10771	2.1
179.14452	2.0
195.13908	14.2
196.14217	0.9
205.12366	8.8
223.13399	83.4
224.13737	5.7
235.08205	3.7
237.14973	1.0
247.20700	1.5
248.21098	0.5
253.09302	8.7
273.18591	1.7
277.18430	0.7
291.19666	100.0
292.19998	9.0
361.20343	0.9
371.18671	1.3
441.21063	1.2
459.22379	10.0
460.22821	1.0
479.31836	1.1
482.02634	0.5
497.32605	1.0
509.27487	1.4
527.28607	7.1
528.29181	1.0
614.59448	0.5
689.39508	0.6
715.40851	1.3
733.40320	1.1
734.41669	0.7
737.52924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96039	0.8
55.01877	1.1
56.75837	0.7
57.03448	3.4
58.00587	1.5
59.01384	13.2
59.51142	0.7
68.99807	1.1
69.93852	3.1
70.99831	0.9
71.01388	17.2
72.99316	6.1
73.02957	2.0
73.34529	0.8
74.31244	0.9
75.00876	20.5
81.03462	1.5
83.01395	1.1
83.05029	3.3
84.02190	1.1
85.02960	22.9
86.03325	0.9
87.00878	6.3
89.02436	3.0
95.01392	6.1
95.49811	0.8
99.00889	13.0
101.02440	1.4
103.00384	3.1
111.00859	1.0
113.02462	23.3
115.00410	2.3
117.01936	3.0
119.74595	0.8
122.19656	0.9
125.02434	1.5
125.09730	2.9
127.11307	2.4
129.01921	2.4
137.09669	1.1
139.04012	1.3
153.05646	1.3
155.10783	1.3
163.11345	2.0
165.09299	1.0
165.12886	0.9
171.10295	1.4
175.02492	3.0
181.12367	1.0
193.03537	1.1
199.09819	1.1
201.11340	38.3
202.11682	1.8
209.11845	38.6
210.12180	2.7
224.65599	0.9
227.12939	3.4
249.06213	2.8
255.23305	51.7
256.23593	3.7
275.20224	1.0
341.61682	0.8
464.48352	1.0
477.19501	1.1
689.41400	13.5
690.41760	2.2
697.42114	1.4
715.42737	61.2
716.43121	13.9
733.43848	100.0
734.44238	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	733.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01386	9.2
61.98835	5.1
69.03486	0.5
71.01388	10.7
71.60563	0.5
73.02933	0.6
83.01389	0.7
83.05034	1.0
83.85578	0.3
85.02968	0.7
87.00864	0.7
89.02456	1.5
97.02908	0.8
99.00887	0.5
101.02451	2.8
109.06600	1.9
113.02435	1.2
117.07135	0.5
119.03510	0.6
125.02431	0.4
125.09746	0.5
126.12916	0.3
135.08192	0.3
161.04568	1.3
163.11316	1.2
167.14401	0.6
171.10262	1.7
181.12318	0.8
183.13911	7.0
193.12328	2.0
199.09818	2.2
199.13475	0.6
201.11357	0.7
207.10287	5.6
208.10597	0.5
209.11816	3.7
211.13402	100.0
212.13734	6.1
225.11295	4.4
226.11772	0.5
227.12959	2.2
235.08275	2.3
253.09351	5.7
263.16489	0.5
275.07996	0.4
298.80927	0.4
375.21539	0.4
383.22324	0.7
387.25327	0.5
391.25000	0.4
401.23395	1.1
419.24316	0.5
429.21313	1.3
447.22394	8.3
448.22635	1.3
461.20380	1.1
623.34338	1.4
624.34857	0.4
637.32050	0.8
638.32794	0.5
641.35498	1.3
655.33350	1.9
656.34186	0.8
679.18134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81812	0.2
59.01385	7.6
61.98831	1.5
63.27678	0.2
71.01385	3.5
73.02969	0.5
74.42200	0.3
75.00920	0.3
80.04948	0.3
85.02960	0.7
87.00902	0.5
89.02437	1.2
97.02957	0.4
98.19867	0.7
101.02454	1.7
109.06588	0.7
113.02443	1.2
119.03500	0.3
125.02490	0.4
125.09786	0.3
161.04552	0.6
163.11235	0.5
167.14430	0.5
171.10289	0.7
176.23003	0.2
179.05563	0.4
182.32631	0.3
183.13930	5.9
184.14224	0.6
185.11893	0.4
193.12309	1.3
199.09752	0.8
207.10202	1.7
209.11815	1.1
211.13399	100.0
212.11829	0.5
212.13741	6.2
225.11368	0.8
227.12843	0.6
235.08240	1.9
253.09312	4.3
295.75598	0.3
315.99823	0.3
360.58325	0.3
401.23337	0.4
429.21393	1.7
447.22327	9.4
448.22498	1.1
515.09503	0.3
623.34308	2.6
624.34247	0.4
637.32562	0.3
641.35498	1.6
655.32837	0.4
733.38446	0.3
751.99963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93052	0.4
59.01374	1.5
60.99309	16.1
61.98830	29.4
66.70444	0.4
69.75893	2.4
71.01386	1.2
73.02934	0.5
75.00890	0.9
78.98628	0.5
79.95736	0.4
80.96526	3.8
83.05036	0.5
85.02970	0.6
87.00877	1.2
88.00406	1.6
88.98811	100.0
89.02453	5.5
89.99141	0.7
93.15770	0.5
94.98093	1.1
96.96037	0.5
101.02434	1.0
109.06633	0.5
113.02451	0.5
116.92848	0.6
125.02453	0.5
125.09723	0.4
144.37553	0.5
163.11266	0.9
164.98589	0.6
171.10271	3.3
185.11818	1.3
197.11852	3.2
199.13437	0.8
207.10213	1.2
209.11833	9.3
210.12161	0.8
211.13474	1.1
223.13383	0.6
225.00754	0.9
225.11252	0.4
227.12918	2.2
234.24629	0.4
235.08232	0.5
237.14975	1.2
251.32588	0.4
253.09300	1.0
260.47342	0.4
273.17068	1.9
461.20349	0.4
577.41071	0.5
670.35400	0.9
733.29883	4.7
734.30829	0.5
734.36560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36421	1.0
57.03445	1.8
58.00583	1.1
59.01382	26.1
61.98837	11.1
63.26810	1.0
68.33199	1.0
71.01387	56.3
71.60699	2.0
72.99293	1.3
73.02956	1.7
78.95905	4.6
81.03466	1.6
83.05048	2.4
83.89895	1.1
85.02957	2.4
85.24390	0.9
87.00873	2.5
89.02460	4.6
95.01363	1.3
97.02964	4.0
99.00899	2.1
101.02461	6.8
109.06592	10.7
111.72027	1.0
113.01772	1.0
113.02431	5.1
113.09744	3.5
123.04489	1.3
123.49030	1.2
125.02454	1.8
125.09715	1.8
135.08179	1.5
140.01225	1.4
142.02635	1.2
143.03452	1.5
145.05162	1.3
161.04604	3.1
161.72533	1.1
163.11319	7.8
167.10805	1.4
171.10277	5.8
181.12364	1.8
183.13901	9.8
185.11914	1.4
187.17459	1.4
189.09108	1.4
193.12321	2.8
197.11761	2.3
199.13396	5.3
201.11327	3.0
207.10271	31.6
208.10605	1.3
209.11861	23.7
210.12160	3.5
211.13412	100.0
212.13708	7.5
225.11334	19.6
226.11609	1.2
227.12930	19.6
228.13152	1.6
235.08235	4.3
243.12349	1.7
253.09299	10.9
259.58380	1.2
291.19876	1.2
293.21234	11.9
294.21542	9.3
295.22574	1.0
315.43066	1.1
373.23950	2.3
382.92969	1.1
383.22314	3.2
391.24994	3.2
401.23456	8.6
419.24118	2.3
443.19095	2.9
447.22504	2.4
461.20346	3.6
463.21844	1.5
479.21228	1.3
637.32391	5.6
655.33496	7.4
656.33911	4.0
673.33740	2.1
701.38141	3.3
733.41083	10.8
734.41534	3.8
740.23175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36953	0.9
57.03433	1.0
59.01391	6.5
60.99293	1.1
61.98835	100.0
63.96204	1.3
68.99787	3.3
69.03431	1.8
71.01005	0.9
71.01383	15.9
72.18254	1.0
72.79635	1.0
72.99286	2.2
73.02922	2.9
75.00863	2.3
75.96217	0.9
78.98596	7.8
79.95750	12.3
80.96523	71.5
81.03452	2.4
83.01362	2.3
83.04998	1.9
84.02157	1.3
85.02956	6.1
87.00845	4.4
88.98802	5.2
89.02420	2.9
94.98094	16.7
95.01307	1.5
95.04947	1.8
96.95995	2.3
97.02914	4.2
97.06570	1.3
101.02452	8.7
106.98034	3.7
109.02953	1.4
109.06598	2.3
111.04518	5.8
113.02422	2.2
116.92822	2.9
122.97519	3.3
123.04509	2.2
123.08107	1.9
124.84374	1.1
125.02369	4.3
125.06031	1.3
125.09718	5.3
127.03993	1.4
127.11285	1.8
134.97597	5.4
135.08102	2.0
136.99118	2.1
139.39763	0.9
148.99132	5.0
151.11290	1.2
152.98669	6.2
161.04482	2.8
161.09637	4.2
163.11217	2.2
164.98662	12.8
165.12761	1.8
169.01401	0.9
171.10281	45.5
172.10591	1.5
177.09099	2.8
179.10811	5.0
183.10229	1.0
185.11772	2.5
187.09637	1.3
191.10683	1.7
197.11774	4.6
199.13315	1.4
201.11305	1.2
201.52606	1.0
205.08737	9.1
206.99529	3.1
207.10335	5.8
209.11868	23.9
210.12036	1.8
211.13315	2.5
213.11235	3.2
223.09769	23.8
223.13110	1.7
225.00775	19.3
225.11227	2.8
226.12239	1.0
227.12747	3.3
229.25067	1.3
235.08104	3.7
237.14801	1.8
241.10712	2.0
253.09322	10.4
267.64978	1.0
270.02219	1.1
273.17099	69.4
274.17252	4.4
427.26630	1.2
459.18417	4.2
471.34851	50.7
505.17532	2.4
509.16458	1.9
509.25604	2.2
536.26001	1.2
715.35156	7.9
716.35455	1.4
733.30664	86.0
734.30933	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25657	0.9
53.83828	0.9
56.75507	0.9
58.00609	1.0
59.01389	16.3
71.01389	16.9
73.02952	1.9
83.01390	2.3
85.02969	5.2
89.02460	11.9
95.01395	1.9
96.96006	3.6
97.02962	0.9
98.19836	1.9
99.00887	2.2
101.02453	14.7
113.02460	6.6
117.05595	0.9
119.03500	3.7
123.00905	1.5
123.04554	1.9
125.02460	5.0
128.22862	1.0
137.02454	2.0
145.02861	1.2
158.72913	0.9
161.02429	1.9
163.04004	1.1
169.01378	2.5
177.01949	1.3
178.01108	1.0
179.03537	1.1
203.03496	1.7
208.96831	1.0
245.07979	1.2
249.04008	4.1
266.99112	1.1
271.04657	1.5
275.02017	3.6
289.07272	6.0
293.12476	2.0
300.99838	8.2
302.00131	1.2
335.23547	1.1
352.09470	0.9
443.19244	100.0
444.19556	12.3
560.63312	1.1
758.22314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36953	0.9
57.03433	1.0
59.01391	6.5
60.99293	1.1
61.98835	100.0
63.96204	1.3
68.99787	3.3
69.03431	1.8
71.01005	0.9
71.01383	15.9
72.18254	1.0
72.79635	1.0
72.99286	2.2
73.02922	2.9
75.00863	2.3
75.96217	0.9
78.98596	7.8
79.95750	12.3
80.96523	71.5
81.03452	2.4
83.01362	2.3
83.04998	1.9
84.02157	1.3
85.02956	6.1
87.00845	4.4
88.98802	5.2
89.02420	2.9
94.98094	16.7
95.01307	1.5
95.04947	1.8
96.95995	2.3
97.02914	4.2
97.06570	1.3
101.02452	8.7
106.98034	3.7
109.02953	1.4
109.06598	2.3
111.04518	5.8
113.02422	2.2
116.92822	2.9
122.97519	3.3
123.04509	2.2
123.08107	1.9
124.84374	1.1
125.02369	4.3
125.06031	1.3
125.09718	5.3
127.03993	1.4
127.11285	1.8
134.97597	5.4
135.08102	2.0
136.99118	2.1
139.39763	0.9
148.99132	5.0
151.11290	1.2
152.98669	6.2
161.04482	2.8
161.09637	4.2
163.11217	2.2
164.98662	12.8
165.12761	1.8
169.01401	0.9
171.10281	45.5
172.10591	1.5
177.09099	2.8
179.10811	5.0
183.10229	1.0
185.11772	2.5
187.09637	1.3
191.10683	1.7
197.11774	4.6
199.13315	1.4
201.11305	1.2
201.52606	1.0
205.08737	9.1
206.99529	3.1
207.10335	5.8
209.11868	23.9
210.12036	1.8
211.13315	2.5
213.11235	3.2
223.09769	23.8
223.13110	1.7
225.00775	19.3
225.11227	2.8
226.12239	1.0
227.12747	3.3
229.25067	1.3
235.08104	3.7
237.14801	1.8
241.10712	2.0
253.09322	10.4
267.64978	1.0
270.02219	1.1
273.17099	69.4
274.17252	4.4
427.26630	1.2
459.18417	4.2
471.34851	50.7
505.17532	2.4
509.16458	1.9
509.25604	2.2
536.26001	1.2
715.35156	7.9
716.35455	1.4
733.30664	86.0
734.30933	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98834	100.0
62.98532	0.2
65.17060	0.1
71.01390	0.8
71.61246	0.3
72.99339	0.2
82.88261	0.1
83.01385	0.1
85.02972	0.3
87.00895	0.2
88.98816	0.3
89.02454	0.6
96.96033	0.4
100.47388	0.1
101.02466	0.5
113.02483	0.4
116.92906	0.4
119.03511	0.2
119.05058	0.1
120.01358	0.1
121.03017	0.2
123.00916	0.3
123.04536	0.2
125.02457	0.9
126.84500	0.1
135.04559	0.2
137.02510	0.2
139.03960	0.2
145.02965	0.1
149.02464	0.3
150.03212	0.4
151.00410	0.2
151.04034	0.1
153.91130	0.1
159.69498	0.1
161.02422	0.1
165.01952	0.3
165.05630	0.3
169.01472	0.6
175.03957	0.1
179.03490	0.2
179.05630	0.2
180.04289	0.2
181.04996	0.1
195.06712	0.4
209.11858	0.3
211.02454	0.2
254.75047	0.1
300.99921	0.6
313.11008	0.2
343.11920	0.3
344.12473	0.2
349.41614	0.1
355.12158	0.1
359.15167	0.3
371.15265	0.3
546.93060	0.1
642.06891	0.2
669.31757	0.3
703.27826	0.2
732.39954	0.4
733.26904	0.2
733.40527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02095	0.2
61.98837	100.0
62.65919	0.1
62.98544	0.2
75.00877	0.2
170.82611	0.2
180.61145	0.2
180.92636	0.2
209.11929	0.3
344.42868	0.2
489.59607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98834	100.0
62.98532	0.2
65.17060	0.1
71.01390	0.8
71.61246	0.3
72.99339	0.2
82.88261	0.1
83.01385	0.1
85.02972	0.3
87.00895	0.2
88.98816	0.3
89.02454	0.6
96.96033	0.4
100.47388	0.1
101.02466	0.5
113.02483	0.4
116.92906	0.4
119.03511	0.2
119.05058	0.1
120.01358	0.1
121.03017	0.2
123.00916	0.3
123.04536	0.2
125.02457	0.9
126.84500	0.1
135.04559	0.2
137.02510	0.2
139.03960	0.2
145.02965	0.1
149.02464	0.3
150.03212	0.4
151.00410	0.2
151.04034	0.1
153.91130	0.1
159.69498	0.1
161.02422	0.1
165.01952	0.3
165.05630	0.3
169.01472	0.6
175.03957	0.1
179.03490	0.2
179.05630	0.2
180.04289	0.2
181.04996	0.1
195.06712	0.4
209.11858	0.3
211.02454	0.2
254.75047	0.1
300.99921	0.6
313.11008	0.2
343.11920	0.3
344.12473	0.2
349.41614	0.1
355.12158	0.1
359.15167	0.3
371.15265	0.3
546.93060	0.1
642.06891	0.2
669.31757	0.3
703.27826	0.2
732.39954	0.4
733.26904	0.2
733.40527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93138	1.3
55.13970	1.4
61.25530	1.3
61.98834	1.9
62.81287	1.5
71.60282	2.3
79.01888	3.1
85.06601	3.5
97.02972	2.2
103.68345	1.7
104.09924	1.4
109.06641	4.0
111.04501	4.2
125.02505	1.6
135.04527	2.5
148.97035	1.5
152.04723	1.4
153.05573	18.9
154.37740	1.6
178.67291	1.5
179.03453	2.2
180.04272	3.1
194.05782	1.9
223.92671	1.4
316.16440	1.5
336.77615	1.5
341.24747	4.2
345.20746	4.0
385.23831	100.0
386.24197	17.5
439.73285	1.7
587.51959	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	732.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98836	100.0
69.54429	0.7
69.54842	0.2
71.01398	0.3
73.43153	0.2
75.00885	0.5
80.96526	0.1
85.02962	0.2
88.98820	0.7
89.02447	0.1
96.96075	0.1
97.02979	0.2
101.02452	0.2
109.06577	0.1
116.92852	0.2
125.02442	0.2
125.99072	0.1
152.43980	0.2
163.11356	0.2
169.01505	0.2
171.10327	0.5
179.10651	0.2
185.11801	0.2
197.11877	0.6
207.10307	0.5
209.11844	0.9
211.13458	0.3
221.12007	0.2
225.11421	0.3
227.12807	0.2
273.17145	0.4
325.78885	0.1
332.12067	0.2
461.20468	0.2
475.12656	0.1
543.07916	0.1
641.31317	0.2
733.31360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.2
71.05024	4.1
71.60611	3.8
81.03462	7.6
83.01379	3.1
85.06580	3.9
92.05900	2.6
93.07684	2.8
103.96066	2.9
109.06641	3.7
111.04514	3.6
111.74815	2.8
125.02462	10.9
125.37339	2.6
145.50108	2.8
147.30910	2.6
153.05592	29.3
155.73877	2.9
182.02206	2.6
187.13864	2.6
199.77678	2.9
201.21089	2.8
208.01822	2.8
228.54816	3.1
233.02988	3.1
246.01921	2.6
285.18472	8.7
329.17578	84.3
330.17780	7.4
357.24774	3.2
359.16141	3.2
401.23334	100.0
402.23584	12.8
470.93851	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	731.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43021	2.8
57.03440	3.5
61.98841	3.6
69.35172	22.9
71.05019	6.6
74.35268	2.3
81.03463	10.7
85.06609	4.3
93.55101	2.3
98.20645	5.2
100.40121	2.5
109.06587	4.9
111.04510	5.8
123.04529	3.4
125.02445	11.2
130.97957	2.4
153.05594	26.1
167.03455	3.5
197.71515	2.4
209.11952	3.5
246.92973	2.3
285.18552	6.1
328.19235	2.3
329.17599	88.1
330.17889	10.7
357.24390	3.6
401.23364	100.0
402.18735	2.9
402.23465	14.6
731.40417	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	731.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03453	7.6
59.01387	31.3
61.98826	7.8
66.29563	2.4
69.38960	18.4
71.01386	36.4
72.99307	16.4
73.02940	3.6
75.00873	48.6
78.95907	2.4
81.03459	3.7
83.01426	3.0
84.02146	2.3
85.02953	37.9
87.00881	13.0
89.02456	6.1
95.01414	14.1
97.02956	8.6
99.00891	28.1
103.00380	6.0
109.06605	33.2
110.03754	2.8
113.02455	65.3
113.34997	2.4
115.00355	4.4
117.01994	6.0
125.02470	3.5
127.05226	2.5
129.01949	4.8
134.44414	2.4
136.05246	3.2
139.04030	2.9
149.59674	2.4
163.11308	13.4
175.02477	13.5
181.12381	6.0
193.03583	5.8
199.09740	4.1
207.10274	65.6
208.10602	4.8
225.11356	28.6
249.06154	11.6
255.20590	5.1
255.23314	100.0
256.23569	8.4
256.48639	2.5
345.06680	2.8
413.18188	4.1
457.17261	4.8
475.18414	19.5
505.30017	6.2
687.39233	5.1
695.40442	3.5
713.28510	5.0
713.41168	99.4
714.41632	24.6
731.39801	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	731.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97572	1.4
59.01390	9.7
60.99315	1.8
61.98833	74.3
69.32713	13.3
71.01391	11.3
71.05020	2.2
72.99297	2.1
73.02947	2.1
81.03455	3.0
83.01373	2.2
83.05021	7.1
85.02959	3.9
87.00885	2.6
88.98816	10.3
89.02461	5.0
95.05002	2.0
96.95998	6.6
97.02950	6.0
99.00885	9.0
101.02448	6.5
109.06606	3.6
112.05664	1.4
113.02444	2.2
116.92854	3.8
117.05577	5.8
121.19736	1.6
123.00859	1.6
123.04514	2.3
124.76836	1.5
125.02419	7.3
135.04431	1.8
135.08179	2.2
139.03964	1.5
142.02689	2.0
151.00331	1.8
151.07645	1.9
161.02420	4.1
161.09732	1.7
163.11327	12.3
165.12910	2.4
169.01422	5.5
171.10216	2.3
177.72734	1.7
179.10771	1.6
181.12387	9.9
191.10764	1.8
197.11876	1.9
207.10287	41.6
208.10750	1.9
209.11835	100.0
210.12099	7.6
213.14949	3.7
225.11343	70.2
226.11600	3.7
227.12837	17.4
235.08234	3.1
243.12354	5.8
251.13016	1.6
253.09239	6.0
313.10547	1.8
435.24017	2.2
443.19040	3.3
445.20651	2.4
461.06396	1.7
461.20273	20.6
462.20642	4.0
629.25098	2.0
635.29822	2.6
653.31665	15.2
653.86395	1.7
654.32159	3.0
669.30200	2.8
671.32947	14.6
672.32336	2.3
710.22504	1.9
731.34735	2.3
731.43317	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	731.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
58.00579	0.4
59.01389	5.2
60.26128	0.3
60.34951	0.3
61.11341	0.3
65.13909	0.3
68.08672	0.3
69.81739	0.7
69.82136	0.8
71.01380	4.5
71.05026	14.0
72.05371	0.6
72.99323	0.6
73.02953	0.6
75.00901	0.4
83.01399	0.5
85.02959	7.1
86.03299	0.3
87.00916	0.7
89.02463	1.7
95.01396	0.4
96.96021	1.5
99.00893	0.3
99.04514	2.4
101.02436	2.1
103.04017	17.7
104.04346	0.5
108.12797	0.4
109.02938	0.5
113.02444	1.8
113.06097	0.5
117.05586	83.3
118.05927	2.2
119.03527	0.6
120.99657	1.0
123.04554	0.4
125.02448	2.9
131.07133	1.0
136.05307	0.5
145.05154	0.5
157.04984	0.4
159.06628	3.8
161.02432	0.6
169.01410	1.1
176.17671	0.3
180.04239	0.6
189.07686	1.1
247.08231	9.4
248.08447	0.5
249.04018	0.8
258.56207	0.3
265.09290	2.9
275.01852	0.6
283.69232	0.4
289.07181	0.9
290.07343	0.4
300.99802	2.1
301.02917	0.4
318.29605	0.3
343.10379	0.7
365.14517	100.0
366.10254	0.7
366.14868	9.7
387.16727	1.8
408.07785	0.5
409.08295	0.6
579.13708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
60.96948	0.1
61.98837	100.0
62.98549	0.2
71.01389	0.3
73.02966	0.2
83.01356	0.1
90.03667	0.1
96.96010	0.3
101.02477	0.2
111.00923	0.2
123.00927	0.2
125.02498	0.4
137.02467	0.2
140.21526	0.1
151.00496	0.2
157.84561	0.1
157.86096	0.1
161.02515	0.2
165.02007	0.3
165.05600	0.2
169.01505	0.5
171.02716	0.1
201.11401	0.2
209.11893	0.5
210.12213	0.3
211.53654	0.1
273.88193	0.1
300.99921	0.3
529.53015	0.2
670.40973	0.7
700.04980	0.2
730.38177	0.3
731.39429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27520	0.1
59.01373	0.7
61.98835	100.0
62.98544	0.1
63.99271	0.1
64.47716	0.1
65.97626	0.1
71.01407	0.3
71.37963	0.1
71.61337	0.2
78.78658	0.1
85.02982	0.2
87.04530	0.2
93.03479	0.1
96.95998	0.7
101.02480	0.1
109.03021	0.2
113.02486	0.2
116.92833	0.2
125.02477	0.4
137.02437	0.3
139.04028	0.2
145.03004	0.1
150.03265	0.2
151.00435	0.2
161.09894	0.2
165.05585	0.2
166.39159	0.1
169.01437	0.4
177.01817	0.1
178.99884	0.3
201.11380	0.3
202.11803	0.3
209.11848	1.5
210.12270	0.7
215.79420	0.1
217.57585	0.1
227.12831	0.2
228.13187	0.1
253.09393	0.2
271.02524	0.2
275.01801	0.2
300.99908	0.4
316.02292	0.2
317.02939	0.7
318.03378	0.4
360.96793	0.1
505.20883	0.2
505.35834	0.3
506.35703	0.8
507.35916	0.9
508.36322	1.2
683.26276	0.1
730.21082	0.4
730.34192	0.5
731.22345	0.2
731.37396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54142	1.4
57.03427	2.6
59.01379	5.1
61.40417	1.7
61.98827	1.8
71.01392	9.5
71.60564	2.1
72.99308	3.8
75.00863	6.8
78.33359	1.6
78.95933	1.6
82.62447	1.4
85.02955	8.1
85.24154	1.4
87.00872	3.2
89.02422	2.1
95.01396	2.2
99.00887	5.9
113.02460	5.8
117.01901	1.4
125.02477	2.4
153.12817	1.7
160.82913	1.5
161.09712	2.5
179.10774	4.3
197.11836	39.6
198.12148	2.3
241.10875	2.0
241.71460	1.4
255.23268	22.8
553.37433	2.4
576.69238	1.7
729.40649	100.0
730.40820	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	730.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98835	100.0
62.82366	0.2
66.41493	0.2
69.43703	0.9
69.44136	0.7
72.99347	0.3
75.00874	2.2
78.42508	0.2
83.21223	0.2
85.62444	0.2
88.98823	0.5
89.96485	0.2
98.19836	0.2
131.60275	0.2
138.42992	0.2
144.16556	0.2
158.45720	0.2
171.10292	0.2
197.11966	0.2
209.11885	1.0
211.13333	0.4
223.13426	0.3
224.13756	0.2
227.13144	0.2
273.83359	0.2
524.85254	0.2
566.01624	0.3
724.26807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.7
65.00343	1.7
69.64438	3.7
69.64849	1.8
80.44193	0.9
81.03471	7.1
83.01395	18.9
84.91853	0.9
98.19928	1.8
107.01405	1.9
120.43365	0.8
121.02966	1.1
123.04495	2.6
125.02455	100.0
126.02774	4.1
149.02420	2.3
149.59019	0.9
151.00392	2.9
152.01187	1.3
166.02705	1.4
167.03499	3.1
179.03532	1.3
205.15927	1.2
247.17096	4.3
311.20065	2.7
355.00858	1.1
355.19147	44.4
356.19672	5.5
373.20187	34.8
373.23822	1.8
374.20264	4.9
388.11804	0.9
729.35638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	35.1
60.99277	2.5
61.98834	41.4
69.03462	2.6
71.01385	22.3
71.60472	2.1
71.60926	3.1
75.00871	2.2
81.03472	2.8
83.05038	8.1
85.02964	6.2
87.00882	4.4
88.98822	14.5
89.02442	10.2
93.03462	2.5
95.01370	2.3
95.05080	2.3
96.28332	2.1
96.96034	4.2
97.02929	11.9
97.06582	3.1
99.00888	3.2
99.04498	2.8
101.02430	10.4
107.05048	3.0
109.06592	46.1
111.08172	2.8
113.02438	5.8
119.03550	3.2
121.02966	2.1
121.06594	5.0
123.08141	3.4
125.02442	4.6
125.09729	10.4
135.08189	6.1
136.05295	2.7
142.02708	3.9
151.07683	2.5
161.04472	4.1
161.09712	6.1
163.11299	26.5
171.10268	5.0
181.12360	8.2
185.11879	4.3
187.09756	3.2
197.11821	4.3
199.13445	3.0
201.11348	14.6
207.10272	100.0
208.10648	6.2
209.11815	22.8
210.12030	2.9
211.13457	13.7
212.13658	2.6
217.12291	2.3
220.85147	2.0
223.09750	3.6
223.13417	8.6
225.11327	56.4
226.11632	2.2
227.12906	9.0
235.08389	5.5
253.09270	12.8
258.41092	2.5
263.12930	3.5
309.20868	4.1
321.48154	2.3
353.21304	2.2
369.20801	3.0
371.18430	4.3
371.22549	3.5
397.19861	5.5
415.21530	15.1
416.21808	3.2
433.22421	4.8
461.20190	12.4
463.30789	5.7
523.34265	4.9
607.27289	13.6
608.28033	4.1
623.30902	2.7
625.28595	22.8
626.28845	5.4
633.29395	10.8
651.30237	57.2
652.30200	10.5
662.23206	2.5
669.30969	28.5
669.39532	2.6
670.31476	4.8
678.18262	2.5
729.33051	3.8
729.45215	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.5
59.01378	8.1
61.98815	4.6
69.03447	3.6
69.35702	14.2
70.54326	1.5
71.01381	5.4
79.42646	1.5
83.05032	3.5
83.49062	1.5
87.00867	1.9
88.91942	1.5
89.02435	5.5
89.39949	1.4
101.02443	4.7
109.06606	1.9
111.08276	1.7
112.28755	1.4
113.02448	2.0
161.04585	2.3
163.11241	3.5
167.10687	1.9
171.10289	2.1
195.13953	9.9
197.11798	5.6
201.11357	21.3
202.11610	1.9
205.12315	10.8
209.11845	100.0
210.12157	8.3
211.13464	2.4
223.13408	94.2
224.13776	10.5
227.12897	16.9
235.08150	4.6
253.09296	15.9
291.19589	2.2
309.20740	8.3
310.20410	1.8
445.21008	2.5
459.22437	16.6
460.22083	1.7
475.54831	1.7
515.51477	1.8
586.11865	1.6
651.33691	2.6
698.31342	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	729.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47612	0.6
53.47801	0.6
57.03233	0.6
57.03454	8.5
59.01376	1.3
69.03460	2.0
69.54431	3.9
72.90916	0.7
80.02032	0.6
81.03466	1.3
81.08702	0.5
83.01393	2.8
89.02428	0.6
93.03455	1.9
95.01405	0.7
95.05049	1.9
96.96006	1.7
97.02943	3.0
98.20615	0.8
107.01388	0.8
107.05016	0.7
109.02969	15.3
117.03490	0.7
119.05021	0.6
121.02962	3.6
122.03717	1.1
123.00897	1.2
123.04534	10.7
124.01692	0.8
124.04867	0.7
125.02456	100.0
126.02782	4.2
127.38492	0.6
131.05054	0.9
133.02975	2.9
135.04521	2.0
137.02461	16.7
139.04007	1.6
143.04999	0.7
145.02988	1.4
146.03737	0.8
147.04546	0.9
149.02458	5.5
151.04022	8.6
158.03651	0.7
159.04507	4.1
160.98897	0.7
161.02454	25.8
161.06027	3.5
162.03102	1.9
163.00404	1.5
163.04010	4.3
164.01192	4.7
165.01944	3.5
167.03534	0.9
169.01433	25.6
170.01633	0.6
173.06026	1.3
175.04036	6.4
175.07640	1.0
177.01942	3.6
177.05562	1.0
179.03452	1.7
183.04509	1.7
185.06104	1.3
187.04018	5.9
188.04800	1.4
189.05615	1.2
197.06126	1.1
199.04008	2.2
201.01863	1.1
201.05482	3.2
203.03517	1.3
203.07166	6.3
205.01419	1.5
205.05028	6.2
208.53629	0.7
211.04086	1.5
212.40002	0.6
213.05527	1.1
215.03485	1.6
217.05098	2.3
223.03984	1.0
225.05621	2.0
225.64543	0.7
227.03534	2.5
227.07129	1.4
228.04218	1.3
229.05045	2.6
231.03027	3.2
241.04942	1.9
243.02908	3.6
243.06761	1.0
244.03610	0.7
245.00970	0.8
245.04558	7.0
245.08170	7.7
247.06174	1.2
249.04114	0.9
253.05032	1.5
255.02983	6.5
255.06845	0.9
256.03775	3.5
257.04605	2.6
267.03140	1.0
267.06378	0.9
269.04559	20.3
270.04956	2.2
271.06021	3.3
273.03970	3.0
274.04080	0.8
279.03131	0.9
281.04529	4.6
283.06171	1.1
285.04132	3.6
287.05634	17.7
288.06110	1.7
289.07199	30.9
290.07608	2.7
295.02618	1.2
297.03992	1.2
297.07632	0.8
299.05652	5.6
300.99927	4.0
301.06836	0.8
303.05078	3.6
309.04233	1.1
309.07562	1.4
311.05746	1.1
313.03571	2.8
339.08694	2.1
381.09854	1.2
387.16437	1.0
393.09775	0.8
405.10007	1.0
407.07733	37.1
408.08026	4.5
419.07593	1.6
425.08838	20.2
426.09207	2.1
433.09293	9.1
434.08737	0.8
437.08850	5.5
438.09525	0.7
439.06876	1.8
449.08862	6.4
450.09399	1.0
451.10498	11.3
452.10574	1.4
515.13702	1.3
541.11768	3.8
559.12439	16.3
560.12604	3.6
577.13556	30.3
578.13708	5.0
603.11597	1.2
729.14435	3.2
730.15277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78967	0.9
57.03452	14.3
59.01390	2.1
63.20325	0.9
65.00336	1.4
69.03448	1.1
69.45232	2.5
69.45645	5.0
69.94159	0.9
71.01411	1.0
81.03477	2.7
82.70544	1.0
83.01392	4.3
90.55830	0.9
93.03444	2.0
95.01383	1.9
96.96017	13.4
97.02966	4.1
98.20621	2.5
99.04494	1.2
107.01376	1.6
107.05083	1.0
109.02956	16.1
109.93891	1.0
117.03498	1.6
121.02957	2.9
123.00880	1.5
123.04531	9.1
125.02455	100.0
126.02809	3.6
129.32777	0.9
133.02994	4.7
133.05104	1.0
135.00882	1.2
135.04535	3.2
137.02458	17.9
139.04039	2.2
145.03001	5.1
146.03778	1.3
149.02438	4.4
150.03249	1.4
151.04030	11.8
159.04553	3.8
160.05252	1.1
161.02454	21.8
161.06120	6.1
162.03166	1.1
163.00380	2.3
163.04015	3.5
164.01175	4.2
165.01958	4.9
167.03447	1.4
169.01457	21.4
175.04018	9.4
175.07455	1.5
176.77017	0.9
177.01939	10.1
179.03508	3.6
185.06076	2.8
187.04031	6.5
188.04778	3.0
191.05565	1.0
193.01408	2.1
199.04039	2.4
201.01964	1.1
201.05557	1.9
202.06335	1.0
203.03574	1.8
203.07155	8.0
205.01384	2.0
205.05096	5.3
209.06181	1.1
211.04047	1.5
212.04794	1.0
213.05623	1.4
214.02785	1.1
215.03473	1.3
217.05072	2.7
219.02980	1.8
221.08191	2.7
227.03535	3.1
227.07101	3.0
228.04266	2.2
229.05066	3.3
231.03247	1.3
243.02902	5.8
245.04578	6.9
245.08183	10.8
246.08513	1.8
247.06065	1.2
249.04367	10.1
253.05103	3.2
255.03001	10.1
256.03745	4.8
257.04568	1.9
259.05975	1.2
269.04568	3.4
271.06137	10.4
273.04129	2.0
281.04523	2.7
283.02408	2.0
285.04080	4.8
287.05579	8.7
289.07181	58.3
290.07455	4.9
297.04105	1.9
299.05579	3.1
300.99802	3.8
303.05054	1.5
339.08926	2.4
381.09943	1.7
387.16730	1.5
389.06683	5.5
402.59329	1.0
407.07733	82.5
408.08017	10.4
425.08881	10.0
433.09134	5.0
441.08267	13.1
442.08652	2.8
451.10361	19.1
452.10837	2.0
475.58334	1.1
559.09991	4.0
577.13770	14.1
578.13629	1.7
603.11591	4.3
632.05396	1.1
729.14288	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	727.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75353	0.9
66.22388	1.0
71.61195	1.8
72.74032	1.0
78.95927	2.1
79.01932	1.6
85.06613	3.6
89.01923	1.1
96.96000	1.1
107.05014	1.6
109.06602	2.4
111.04534	3.8
114.08020	1.0
125.02478	2.6
135.04546	2.0
151.04045	1.8
152.04793	1.3
153.05576	12.7
171.10233	2.4
179.03528	3.2
180.04305	5.9
194.05829	3.0
195.57535	1.0
207.06644	3.2
209.11835	4.1
221.08130	1.4
255.23389	1.4
279.23389	1.4
281.24710	3.5
299.23825	2.9
301.21664	1.8
335.93994	1.2
339.23474	1.6
343.22781	18.2
344.23080	2.5
383.22266	100.0
384.22650	13.6
637.36945	1.4
709.38977	2.1
727.44397	9.7
728.44037	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	728.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98533	0.2
67.16299	0.1
67.54178	0.2
69.70444	0.4
69.70858	0.4
102.99182	0.1
129.96703	0.1
163.11311	0.2
166.20090	0.1
169.12410	0.1
196.14404	0.1
197.11923	0.5
198.08098	0.1
198.12190	0.3
209.22163	0.1
211.13478	0.2
223.13478	0.6
224.13768	0.7
225.13893	0.4
300.99734	0.2
315.44229	0.2
316.17413	0.1
461.23380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82910	0.1
59.01385	2.9
60.01722	0.2
61.01829	0.4
61.98835	100.0
62.98541	0.1
96.96037	0.5
122.42846	0.1
145.02779	0.1
229.17508	0.1
292.09549	0.2
300.99832	0.2
487.33539	0.3
488.34018	0.5
503.33765	0.9
504.34116	3.4
505.34433	3.6
506.34711	5.5
507.35214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10871	0.2
57.03439	0.8
57.19304	0.3
57.69377	0.3
58.00583	0.3
59.01386	15.6
61.98839	3.5
62.24089	0.2
71.01384	0.9
73.02956	0.4
85.02943	0.4
87.04529	7.1
88.98792	0.3
89.02446	0.8
89.51128	0.3
96.96044	0.9
101.02451	1.5
113.02454	0.5
119.03497	0.9
132.71065	0.3
142.70010	0.3
163.11316	0.3
169.01402	0.4
175.02625	0.3
201.11305	2.9
209.11836	9.9
210.12149	1.0
227.12860	2.3
235.08179	0.6
235.32005	0.3
253.09251	1.5
300.99936	0.8
339.26663	0.4
341.28601	1.4
359.14987	0.9
371.29639	2.4
372.29813	0.4
373.31015	0.8
437.20230	0.5
445.20758	1.3
505.35382	100.0
506.35675	19.6
519.36823	1.0
547.36444	0.4
629.31714	0.3
667.40466	0.6
727.32813	1.8
728.32819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.1
61.98840	13.7
64.15827	2.2
69.03447	4.3
69.75690	7.1
69.76106	6.3
71.01383	14.9
71.05036	2.7
73.02968	4.7
76.62569	2.1
78.95900	2.5
80.02696	2.6
81.03467	3.9
83.05045	6.0
85.02971	3.4
87.00365	2.0
87.00887	5.4
88.98802	4.9
89.02472	9.6
96.96069	2.4
97.02956	11.3
97.06607	2.7
101.02419	13.4
109.06598	42.2
113.02453	7.7
121.06564	3.5
125.02408	5.1
125.09721	6.0
134.03807	2.6
134.21234	2.0
135.08206	5.1
136.05350	2.5
137.09760	2.5
142.02768	3.0
143.03471	2.3
161.04585	4.0
161.09706	4.3
163.11278	21.4
167.10793	4.6
171.10251	4.5
179.10791	2.6
179.14444	3.9
181.12358	6.2
185.11845	5.5
195.13861	13.2
197.11855	8.2
199.09724	5.0
201.11354	23.4
205.12364	13.5
207.10269	100.0
208.10616	7.4
209.11850	7.1
211.13431	7.0
223.13383	91.8
224.13664	5.7
225.11324	54.3
227.12869	2.7
235.08286	8.2
249.14975	3.1
253.09334	24.2
289.18277	3.8
307.19180	6.2
309.20798	5.0
351.23041	2.8
369.20200	3.4
370.25476	2.3
385.23727	5.1
387.21567	3.1
395.22092	10.3
413.23416	18.7
414.23337	3.9
431.24463	8.6
432.24881	2.5
443.19067	7.2
459.22287	8.2
461.20474	16.4
462.20712	3.5
586.85876	2.5
631.31470	8.3
649.32275	52.2
650.32788	10.1
667.33337	47.2
668.33661	10.8
727.39484	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	727.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81371	1.7
56.93221	2.0
57.03463	2.8
69.71168	11.9
71.01366	1.9
71.05030	1.9
76.34454	1.8
78.95914	2.2
80.74263	1.8
81.03478	9.7
81.03857	1.7
85.74178	1.9
95.05028	2.8
125.02456	8.7
139.04002	8.3
152.99594	2.7
165.01936	4.1
166.02736	6.3
171.10252	7.0
179.03563	2.3
180.04254	3.7
193.05121	5.6
222.08949	2.4
224.03453	1.9
240.34277	2.2
277.21567	5.4
313.21750	12.1
325.21622	5.4
357.20749	100.0
358.21133	14.0
369.20715	85.9
370.20944	9.4
486.20407	2.0
727.40607	2.2
750.32697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.0
61.98838	8.0
70.41502	0.6
70.41900	0.6
71.01389	1.5
75.00892	0.4
79.95726	0.3
80.96535	1.6
85.02966	0.4
85.57620	0.3
88.98807	0.8
89.02438	0.7
93.91352	0.2
95.01402	0.3
101.02455	1.3
105.95971	0.2
113.02454	1.0
119.03556	0.3
120.26077	0.3
123.47487	0.3
125.02453	0.4
161.04550	0.4
209.11887	0.5
225.00720	0.6
253.77231	0.3
332.67404	0.3
404.93222	0.3
429.39334	0.3
485.32919	0.3
487.34039	0.4
503.33820	100.0
504.34174	19.1
517.35443	0.6
545.34869	1.6
595.47461	0.3
662.37848	0.5
665.38892	2.0
666.38843	0.7
725.30200	1.6
725.41437	7.5
726.31183	0.5
726.41479	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	727.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83662	1.5
55.01880	1.6
57.03438	6.9
57.07298	1.6
59.01389	29.5
67.01915	2.5
68.48382	1.5
69.03461	10.0
69.43028	6.1
69.43460	8.3
71.01393	19.0
72.99347	2.4
73.02945	11.8
74.82135	1.7
79.88134	1.5
81.03454	4.2
83.01396	4.4
85.02956	58.5
87.00883	100.0
88.01228	1.8
89.02435	2.7
91.50954	1.6
93.03466	6.0
95.01398	20.9
96.96051	3.4
97.02959	25.7
99.04536	6.0
101.02441	1.8
103.04021	10.6
109.02984	9.5
111.00925	8.2
113.02442	18.0
114.01202	1.7
115.00408	10.3
115.04069	2.3
121.02915	2.1
125.02445	8.3
127.04028	16.3
137.02496	4.3
139.00362	12.6
139.04077	1.8
141.05557	2.8
145.05066	6.4
155.03526	2.7
157.01430	7.5
169.05078	3.6
171.82637	1.6
175.02495	56.6
176.02780	1.8
181.01395	2.2
189.72687	2.3
199.02502	41.1
200.02864	2.5
203.03503	2.4
217.03519	21.9
275.01971	2.9
285.06061	1.8
300.99960	7.8
301.48535	1.7
303.07254	17.2
321.08273	6.5
345.08188	8.5
387.09369	15.8
405.10352	6.5
419.11850	3.5
563.12701	3.1
563.33032	2.2
623.14728	7.0
685.17474	2.3
709.18250	14.6
710.19232	3.4
727.19501	17.7
728.18738	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	727.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.4
61.98836	22.0
69.33858	5.8
69.34283	2.9
71.01382	2.7
73.02940	1.3
75.03521	1.0
83.05061	1.1
85.02971	1.3
87.04526	6.9
88.98836	1.5
89.02467	1.5
96.96011	2.8
101.02491	1.7
113.02440	1.0
119.03500	2.2
125.02468	2.2
130.63425	0.8
169.01468	1.6
195.06401	1.1
201.11369	16.0
202.11690	1.2
209.11847	56.3
209.24773	1.0
210.12245	4.7
227.12878	13.3
235.08234	2.5
253.09328	5.7
300.99954	2.1
319.08755	1.0
340.85568	0.9
359.14883	4.2
371.29639	2.8
373.30823	0.9
419.19635	1.1
437.20410	1.5
445.20886	7.5
463.22076	1.2
505.35382	100.0
506.35739	14.5
560.01819	1.0
629.31348	2.0
634.63080	1.3
637.33002	1.8
647.32373	1.2
667.39764	1.6
710.44733	1.2
727.32904	14.1
728.32709	3.1
736.65839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05659	0.6
59.01382	18.4
59.51190	0.5
61.98837	25.6
64.67744	0.6
68.93383	0.5
69.41536	1.0
69.41936	4.1
71.01388	3.0
72.99337	1.0
73.02946	1.4
75.00877	0.6
75.79969	0.5
78.95909	4.8
80.91687	2.3
81.03458	0.6
83.05052	0.7
85.02971	1.1
88.98814	1.8
89.02446	1.7
96.96012	2.7
96.96992	0.7
101.02448	2.1
109.06595	1.2
113.02435	1.6
119.03484	0.7
119.31488	0.6
123.00888	0.8
125.02448	1.0
125.09743	0.8
128.79362	0.6
135.08176	0.8
151.04019	0.6
152.99590	1.8
163.11314	0.6
166.13123	0.6
169.01454	0.8
171.10269	1.2
179.05693	0.7
179.10666	0.8
189.99002	0.7
197.11922	1.8
201.11159	0.8
207.10268	4.4
209.11852	9.9
210.12100	0.8
211.13425	2.7
223.13382	0.9
225.11337	4.6
227.12880	1.8
235.08415	0.9
253.09363	1.5
417.83096	0.8
427.32147	4.7
429.30066	9.5
430.30313	1.5
441.30042	1.3
445.33286	32.1
446.33554	4.8
461.19843	1.2
485.32773	3.0
486.32855	0.9
503.33804	100.0
504.34177	17.2
519.31958	0.7
545.34491	0.7
589.37683	1.3
665.39069	7.1
666.38904	1.2
671.32318	0.7
693.36230	0.7
725.38501	2.6
726.40570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
59.01379	5.9
61.98810	1.3
63.66705	0.7
69.61852	1.6
69.62265	3.1
71.01378	5.4
72.99304	3.0
73.02948	0.8
80.13857	0.6
83.05043	1.0
85.02939	1.7
87.00870	1.6
89.02435	3.5
95.05035	0.8
97.06607	3.8
98.19885	1.6
101.02441	4.6
113.02473	2.9
125.02483	3.5
125.03230	0.7
133.05020	0.8
151.11288	12.6
153.05571	1.4
161.04581	0.8
169.12347	83.4
170.12677	4.1
171.10271	1.2
195.10223	2.5
195.13921	2.8
195.15561	0.6
197.11807	1.7
209.11841	4.3
210.12149	0.9
211.13440	0.8
213.11330	10.4
223.13364	2.0
227.12958	0.9
235.08200	2.2
253.09326	3.4
275.20178	2.0
279.19571	3.5
293.21222	13.1
294.21518	1.6
391.84482	0.7
431.19180	2.5
432.19788	0.8
449.20367	7.2
552.16962	0.8
588.22656	0.8
656.34100	0.7
725.41211	100.0
726.41602	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
56.32220	0.3
59.01384	6.8
61.98825	0.4
67.01902	0.4
68.87289	0.3
69.03465	1.6
69.54144	0.8
69.54551	1.9
71.01383	3.2
73.02950	0.8
83.01376	0.7
83.05022	0.4
85.02982	0.5
87.00880	0.4
88.03334	0.3
89.02462	2.0
95.05018	0.4
99.00968	0.3
101.02441	2.3
109.06566	0.4
111.08171	3.8
113.02449	1.5
119.03572	0.4
125.02432	0.7
125.09709	0.3
141.09256	0.6
143.03444	0.4
151.11241	0.5
153.09158	0.5
153.12811	1.3
161.04555	1.7
167.10796	1.1
169.12352	6.9
170.12823	0.4
171.10455	0.4
179.05573	0.7
179.10786	1.0
179.14413	1.3
181.12376	0.4
195.13918	4.0
197.11842	100.0
198.12163	5.7
199.13361	1.3
205.12369	3.7
209.11871	0.4
211.13362	2.9
217.21544	0.4
223.13406	36.2
224.13766	3.1
227.12923	0.6
235.08246	4.5
249.14893	0.5
253.09294	11.5
254.09662	0.6
263.20142	1.4
265.18216	0.8
273.18677	0.4
291.19662	8.8
292.20056	0.6
293.21301	0.5
309.20734	24.4
310.21005	1.9
331.91055	0.4
433.20798	3.5
434.21088	0.5
441.21262	0.8
459.22366	4.7
460.22702	0.8
489.32285	0.5
527.28522	0.5
545.29865	1.1
647.34668	0.7
665.35413	0.7
725.41833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.2
57.03454	0.3
58.00600	0.2
59.01384	2.8
60.02357	0.1
61.98841	0.4
62.27477	0.1
69.03458	0.9
71.01386	2.5
72.99355	0.2
73.02937	0.8
79.17055	0.2
83.01376	0.4
83.05035	0.6
85.02953	0.7
87.00866	0.6
89.02448	1.9
95.01357	0.2
97.06561	0.2
99.00879	0.2
101.02466	2.4
108.50875	0.1
111.08165	4.1
113.02439	1.4
117.23074	0.2
119.03517	0.5
122.61680	0.2
123.08140	0.2
125.02482	1.0
127.07643	0.3
141.09190	0.2
143.03545	0.2
145.05023	0.3
151.04033	0.2
151.11292	0.4
153.05594	0.2
153.09221	0.3
153.12857	1.3
161.04573	1.3
169.01454	0.4
169.12347	7.1
170.12695	0.4
171.10263	0.2
176.48712	0.2
176.95670	0.2
179.05626	0.3
179.10704	0.7
181.07011	0.2
181.12357	0.6
183.13896	0.3
197.11841	100.0
198.12175	6.6
199.13387	1.5
209.11790	1.0
211.13416	2.6
212.13748	0.2
223.13428	0.3
227.12828	0.4
235.08217	3.8
238.26595	0.2
247.20860	0.2
253.09300	11.1
254.09586	0.6
263.20190	1.4
264.20267	0.3
265.18152	0.4
273.18616	0.5
279.19650	0.7
289.07144	0.6
291.19681	9.1
292.20007	1.0
293.21371	0.4
300.99991	0.2
309.20731	27.9
310.21100	3.5
402.32455	0.2
433.20813	4.2
434.21274	0.5
489.32281	0.6
499.29184	0.2
527.28271	0.5
545.29529	0.6
721.22247	0.2
725.41156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.3
60.01715	0.4
60.61532	0.2
70.12521	0.5
70.12914	0.3
71.01401	0.6
71.05034	0.5
77.24886	0.2
85.02959	0.2
96.96033	0.5
101.02471	0.9
113.02478	0.4
119.03555	0.3
161.04550	0.2
291.09174	0.2
323.02704	0.2
330.78729	0.2
346.53073	0.2
367.26230	0.2
391.29932	0.2
407.29581	0.3
421.31323	0.5
423.29132	0.3
427.32123	0.3
435.29160	0.2
443.31616	0.6
453.30054	2.3
454.30392	0.3
459.35110	0.3
460.34796	0.3
485.32770	6.8
486.33093	1.3
503.33817	100.0
504.34158	19.3
504.41940	0.4
545.34662	0.4
665.39020	1.0
666.39648	0.4
697.25836	0.2
725.41528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
61.98831	73.5
63.99275	3.8
69.18668	3.0
69.26989	28.7
71.01400	4.1
74.44588	3.0
74.86050	2.9
83.05036	3.6
89.02465	4.2
96.96031	4.9
97.65899	3.2
101.02451	4.5
116.05637	3.1
125.02490	3.8
145.46484	3.0
157.46271	2.8
159.60309	3.0
164.54979	3.1
183.13974	4.2
200.70105	3.1
207.10292	4.2
209.11832	100.0
210.12169	5.1
211.13393	82.9
212.13605	7.1
227.12932	20.7
235.08215	4.0
253.09325	12.0
357.26462	4.1
445.20590	8.8
447.22275	5.2
448.22919	4.1
451.42538	3.1
503.33704	34.8
525.70184	3.8
578.07672	3.4
639.33472	8.6
640.33459	3.4
657.34473	4.4
725.35211	35.5
726.36133	8.4
743.45935	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	725.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10746	0.4
55.86219	0.4
56.86569	0.4
57.03440	0.5
57.97581	0.3
59.01093	0.6
59.01382	10.4
69.03454	2.3
71.01383	3.0
71.05003	0.5
71.36623	0.5
73.02970	0.5
73.31826	0.4
83.01405	0.4
83.05037	0.5
85.02949	0.8
85.06606	0.7
87.00873	0.8
89.02458	2.2
93.03484	0.6
95.05040	0.8
97.03006	0.4
101.02441	2.3
109.06570	0.8
111.08169	0.9
113.02443	0.9
119.03510	0.8
133.05037	0.4
149.09680	0.4
161.04555	1.4
161.13319	0.6
162.59956	0.4
167.10783	3.2
169.12241	0.9
179.05582	0.7
179.10774	1.1
179.14433	2.8
195.12332	0.4
195.13899	10.1
196.14320	0.8
197.11835	21.6
198.12119	0.8
205.12344	10.0
205.14273	0.5
206.12668	0.8
211.13449	0.7
223.13396	100.0
224.13733	7.1
235.08195	3.2
253.06760	0.3
253.09285	6.6
291.19781	1.8
309.20758	5.8
310.21008	0.6
411.25357	0.8
429.26404	1.3
433.20428	0.5
441.21329	1.9
446.43036	0.4
459.22357	14.6
460.22775	1.5
572.26593	0.4
621.32117	0.5
647.34564	2.0
665.35175	2.2
666.35345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29849	0.2
60.72056	0.2
67.48071	0.2
75.03843	0.2
79.95721	2.4
96.96017	87.3
97.95960	0.4
107.01395	0.3
135.04497	0.5
144.22372	0.3
151.00392	1.2
169.01245	0.3
181.12393	0.4
261.08011	100.0
262.08310	6.3
271.02426	0.3
274.88843	0.3
287.05557	0.4
300.99985	0.5
312.27982	0.3
316.02087	0.4
367.01279	1.3
368.01669	0.5
463.08786	0.9
485.64453	0.2
537.19763	0.4
538.19501	0.6
635.54828	0.3
744.06879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56037	6.7
55.41531	7.1
58.89574	6.3
59.01385	19.6
61.82191	7.5
61.98835	100.0
63.48421	6.8
69.48377	7.2
69.48683	58.0
71.01399	14.7
77.93373	8.5
78.95910	13.6
80.96525	7.5
96.96033	11.6
98.20583	12.8
101.02411	8.3
107.83174	8.1
147.88756	7.2
164.98430	7.0
197.11903	9.1
207.10338	10.8
209.11865	91.4
211.13405	95.8
227.12914	12.7
253.09041	8.9
410.19189	8.3
445.20831	8.4
447.22528	14.7
503.33975	14.6
725.35156	53.8
726.35297	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	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01388	3.0
61.98841	0.3
69.03464	0.5
70.18931	1.2
71.01387	2.7
71.05035	0.3
73.02950	0.5
78.95896	0.4
81.03468	0.4
83.01394	0.5
83.05032	0.9
85.02944	1.3
87.00897	0.6
89.02448	2.2
101.02446	2.9
104.58948	0.3
109.06642	0.4
113.02448	1.7
119.03477	0.6
125.02450	2.1
126.54749	0.3
135.08191	0.3
152.99614	0.4
153.05588	0.7
155.10843	0.3
161.04593	1.5
163.11212	0.4
165.12881	0.5
167.10814	0.4
167.14430	0.7
171.10252	0.3
179.05664	0.4
183.13918	5.6
193.12390	1.7
195.13921	3.6
196.14442	0.3
205.12340	0.3
205.15990	0.3
209.11842	12.7
210.12161	1.1
211.13402	100.0
212.13742	6.1
223.13406	2.6
224.13727	0.3
227.12828	1.1
228.13620	0.5
235.08261	3.0
236.08527	0.3
253.09312	12.7
254.09682	0.9
256.13101	0.6
267.66736	0.3
275.20193	4.1
276.20474	0.4
277.21725	8.2
278.22067	1.0
291.19598	0.3
293.21252	53.5
294.21555	5.6
300.02875	0.3
425.23621	0.4
447.22296	4.0
448.22665	0.4
455.67386	0.3
487.34222	0.8
529.29852	0.5
723.38684	1.2
724.38660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.2
57.31502	0.2
58.00590	0.3
59.01384	2.8
69.34351	1.5
71.01385	2.2
73.02950	0.4
78.73412	0.1
80.02683	0.9
81.03466	1.4
83.01379	0.3
83.05034	4.3
84.02190	0.6
85.02958	0.5
87.00901	0.3
89.02447	1.8
95.05053	0.5
101.02444	1.8
113.01780	0.2
113.02456	1.1
119.03526	0.2
125.02470	0.3
125.06113	0.5
127.27933	0.2
135.08173	0.6
139.04024	0.2
145.05148	0.2
161.04584	0.7
163.11305	3.9
164.11697	0.3
165.12852	2.1
166.13161	0.2
179.05704	0.2
181.12392	0.3
184.54674	0.2
189.83055	0.2
191.10771	0.8
209.11844	100.0
210.12199	6.7
211.13368	0.3
217.06863	0.2
227.12901	10.0
228.13239	0.6
229.28661	0.2
235.08167	1.1
253.09294	7.1
254.09563	0.5
277.21735	48.5
278.22070	5.0
361.20026	0.4
445.20734	1.2
481.06815	0.2
527.16949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01388	2.7
61.98819	0.4
62.45603	0.2
69.03455	0.5
69.77043	1.1
71.01385	3.1
73.02944	0.4
83.01403	0.4
83.05025	0.8
85.02954	1.1
87.00882	0.7
89.02449	2.3
95.01439	0.3
97.02963	0.3
99.00864	0.2
101.02439	3.2
101.29250	0.2
111.04556	0.2
111.08127	0.3
113.02440	1.8
115.03959	0.2
119.03492	0.5
125.02438	1.8
143.03526	0.2
153.05571	0.7
155.10835	0.3
161.04575	1.4
161.05800	0.3
163.11296	0.5
165.12895	0.7
167.14404	0.8
169.12241	0.2
171.10292	0.7
174.89038	0.2
179.05594	0.6
179.14499	0.3
183.13919	6.3
184.14175	0.3
193.12340	1.6
193.60426	0.2
195.13943	4.9
196.14420	0.3
197.12131	0.2
205.12344	0.3
209.11842	10.4
210.12091	0.6
211.13400	100.0
212.13744	6.9
223.13403	3.2
224.13826	0.4
227.12827	0.7
228.13615	0.5
231.21274	0.3
235.05951	0.4
235.08212	3.4
253.09290	14.0
254.09622	0.8
256.13101	0.7
265.21713	0.3
275.20145	4.8
276.20435	0.6
277.21732	6.0
278.22076	0.5
292.20071	0.3
293.21234	59.8
294.21555	5.9
305.27243	0.3
305.34021	0.2
310.07324	0.3
425.23529	0.3
447.16580	0.4
447.22375	4.7
448.22717	0.6
487.34183	0.4
492.22372	0.3
529.30310	0.8
723.39502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00236	0.3
59.01383	15.7
61.20762	0.3
61.98831	9.7
71.01374	2.4
71.22719	0.4
71.61047	0.4
72.99317	0.8
73.02953	2.3
80.96528	0.6
85.02937	1.1
87.00909	0.6
88.98794	0.9
89.02447	1.8
95.01388	0.5
96.96015	0.9
101.02441	2.9
113.02443	1.8
113.06094	0.7
113.10018	0.4
119.03502	1.7
123.04521	0.6
125.02438	1.4
150.03238	1.2
151.03963	0.6
161.04625	0.5
165.05554	1.0
167.37349	0.3
169.01436	0.9
169.12367	0.5
171.10158	0.6
193.05173	0.6
195.06592	0.4
201.11330	1.1
209.11867	1.3
215.12820	0.6
227.12933	0.3
253.09332	0.5
300.99924	0.8
388.81256	0.4
389.28448	0.5
407.29337	1.6
408.30124	0.5
423.28983	1.7
425.30591	1.2
437.30624	1.0
455.31656	33.1
456.31961	5.4
457.33237	5.5
501.32233	100.0
502.32568	17.5
543.33301	3.1
544.33051	0.7
573.34827	0.5
723.28876	0.7
724.22144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50526	2.1
71.01365	6.9
71.61126	3.1
78.95921	3.3
78.98583	6.4
79.95736	9.8
80.60305	2.3
80.96525	81.2
86.87627	2.2
87.00896	2.6
94.98082	17.0
96.96012	2.6
97.02956	2.7
101.02448	3.0
104.00241	1.9
106.98060	4.4
122.97557	4.8
125.02456	3.5
127.04058	2.1
134.97581	6.8
148.99074	3.9
152.98613	8.0
164.98593	14.2
206.99632	3.3
225.00764	18.6
312.35489	2.2
425.22803	3.4
467.15936	2.6
615.21771	2.2
682.96240	2.9
723.27008	5.0
723.39862	100.0
724.39886	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	723.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89090	0.7
55.70802	0.8
56.84473	0.6
78.95910	30.1
80.02681	1.8
81.03461	1.4
83.05037	6.8
84.02190	1.5
96.96015	1.4
96.96986	2.6
98.20657	1.6
109.46256	0.7
128.45755	0.8
131.91843	0.9
135.08263	1.2
152.99599	44.8
157.58026	0.9
163.11301	4.9
165.12820	3.7
171.00639	4.3
181.12369	0.9
191.10818	1.3
209.11838	100.0
210.12228	6.1
221.61925	0.8
227.03246	5.4
227.12907	10.3
228.13145	0.8
245.04280	0.9
253.21722	19.2
254.22079	2.0
295.83188	0.8
325.18607	0.8
337.20413	3.9
363.12134	2.2
380.90442	0.7
395.14871	2.1
437.15753	3.5
440.33075	0.7
455.16931	7.8
469.18500	1.1
487.19528	71.6
488.19843	7.5
691.38287	5.2
692.38947	1.7
723.40912	54.6
724.41089	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
67.24157	0.2
71.01385	3.1
73.02956	0.8
78.95901	0.2
80.02699	0.8
81.03052	0.3
81.03448	1.2
83.01388	0.5
83.05030	3.4
84.02174	0.8
85.02973	0.8
87.00894	0.7
89.02448	2.0
95.01414	0.6
95.05033	0.5
98.20638	0.5
101.02451	2.7
109.06601	0.3
113.02470	1.6
119.03547	0.6
125.02483	0.7
125.06104	0.5
133.05089	0.4
135.08177	0.4
139.04076	0.3
145.05090	0.5
152.99617	0.3
161.04578	1.2
163.11290	3.2
165.12901	1.6
165.14040	0.3
166.02750	0.3
166.13225	0.3
179.05577	0.3
181.12402	0.4
191.10751	0.9
209.11838	79.6
210.12169	5.6
211.13438	0.4
227.12892	9.6
228.13278	0.5
233.22769	0.5
235.08218	5.0
236.08569	0.3
253.09293	9.1
254.09705	0.4
275.20013	0.3
277.21729	100.0
278.22089	9.7
293.21194	0.3
445.21030	0.3
469.14938	0.3
518.72723	0.3
705.36652	0.3
723.41431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98837	30.9
67.01878	1.0
69.85683	2.7
71.01393	2.9
72.99306	0.6
73.02934	0.7
75.00862	0.7
80.96518	0.8
82.78919	0.4
83.01397	0.9
85.02955	1.7
87.00886	0.6
88.98818	1.0
89.02413	0.6
95.01378	1.4
96.95985	0.9
97.03059	0.6
99.00877	0.6
101.02433	1.5
107.01410	2.7
111.00877	2.1
113.02441	1.1
116.22572	0.4
120.62672	0.5
121.02973	0.9
123.00900	12.4
124.01736	0.7
125.02464	15.8
126.02747	0.7
127.00409	0.5
134.06805	0.4
136.98772	1.1
139.00374	3.9
140.01143	2.0
141.01927	1.2
142.67258	0.4
151.00381	7.4
153.01939	0.7
168.00642	2.1
169.01431	15.8
170.01712	0.5
171.10294	1.2
181.05035	0.6
209.11864	1.4
313.05530	1.1
423.70526	0.5
501.32333	1.0
659.36462	100.0
660.36798	22.6
690.34515	1.2
691.35352	0.7
698.64795	0.6
722.37097	0.7
723.30157	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	723.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57756	0.8
56.18675	0.8
57.03442	1.1
59.01384	5.6
61.98833	48.3
69.43312	6.7
71.01381	5.3
72.99301	1.3
73.02949	1.4
75.00885	1.7
80.02666	1.0
81.03484	0.9
83.05030	3.2
85.02968	1.6
87.00883	1.0
87.47368	0.8
88.98806	5.4
89.02452	3.0
95.05008	1.6
96.96031	3.3
98.19863	1.1
101.02434	4.0
109.02962	1.3
113.02452	2.0
113.06126	0.9
116.92878	3.2
123.00874	1.3
124.53978	0.8
125.02445	5.5
125.09685	1.0
125.82478	0.8
127.11329	1.9
135.04472	0.8
137.02486	1.8
138.38594	0.9
151.00407	1.2
155.10808	1.1
158.36282	0.9
161.04582	1.2
163.11301	4.0
165.12828	2.2
169.01404	3.7
169.12428	1.3
171.10284	2.7
179.05559	1.0
201.11339	23.1
201.51744	0.8
202.11641	1.4
209.11836	100.0
210.12178	6.1
211.02336	1.1
227.12912	14.3
228.13333	1.2
235.08177	2.4
253.09279	7.8
259.15424	1.3
275.02066	1.0
292.65881	0.8
300.99887	2.0
437.20380	1.2
445.20627	4.5
501.32288	8.6
502.32590	2.3
628.68915	0.9
633.33063	0.9
660.36560	4.0
687.32434	1.4
723.30170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07187	0.5
53.08658	0.5
57.03433	0.5
59.01381	41.8
61.98818	0.9
70.06478	2.1
71.01370	2.7
72.99315	1.0
73.02955	0.9
75.00884	0.6
85.02954	1.6
89.02442	1.4
95.01418	0.6
96.96006	1.5
101.02473	3.0
105.88071	0.5
113.02465	3.5
119.03471	1.7
125.02460	1.3
131.03368	0.5
143.03548	0.5
161.04521	1.2
175.02446	0.8
182.30620	0.5
186.86636	0.5
192.88576	0.5
229.10818	0.5
271.05530	0.6
300.99884	1.3
301.03189	0.7
349.25571	1.1
379.26422	2.6
391.26358	2.2
395.29132	0.8
407.29495	0.7
411.29013	3.9
425.30588	11.5
426.31174	1.3
433.07825	0.6
437.30499	1.3
455.31729	1.2
457.33517	5.0
458.33630	0.8
459.31186	4.1
471.30997	0.7
476.23404	0.6
489.32300	2.3
501.32239	100.0
502.25244	0.8
502.32590	16.1
543.33496	2.8
648.04480	0.6
663.37628	1.5
723.27051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98836	100.0
62.98534	0.2
63.99258	0.4
69.80048	0.8
71.01388	0.4
78.95924	0.3
79.95741	0.2
80.96542	0.7
89.02428	0.2
96.96037	0.3
105.47502	0.1
109.06597	0.2
125.02473	0.2
153.97971	0.2
161.04504	0.2
169.01431	0.2
171.10320	0.3
197.11841	0.3
199.09824	0.2
202.46147	0.1
207.10338	0.6
209.11946	0.9
210.12183	0.2
211.13416	0.3
225.00829	0.3
225.11429	0.2
227.12837	0.2
253.09346	0.2
279.18979	0.1
285.75674	0.2
301.00000	0.2
501.32529	0.5
517.86707	0.2
671.47736	0.2
722.30566	0.8
723.34039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
60.06186	0.6
61.98838	18.4
71.01396	2.6
73.02964	1.0
75.00887	0.8
75.35063	0.6
79.64977	0.7
83.01390	0.7
85.02943	1.4
95.01392	1.7
96.96040	0.9
98.19868	1.5
101.02457	2.4
107.01389	3.9
111.00893	1.9
113.02463	0.7
123.00897	12.4
125.02452	13.6
136.98828	1.1
139.00345	2.7
140.01164	2.6
141.02039	1.5
151.00386	7.2
168.00624	1.6
169.01433	14.7
171.10201	1.7
206.97305	0.7
209.11879	1.0
211.02509	0.9
225.11249	1.3
300.99857	1.3
313.05582	1.3
537.58893	0.7
659.36469	100.0
660.36847	20.7
690.34167	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	721.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24405	0.9
54.49158	0.9
59.01098	1.3
59.01384	20.4
71.59636	1.5
74.15436	0.9
79.95750	2.1
96.96015	87.3
97.96002	1.1
98.95614	5.6
121.59351	0.9
125.02457	5.6
128.16554	0.9
151.04005	1.0
159.10275	1.8
161.02402	1.6
166.97728	0.9
169.01465	1.1
191.03650	0.8
225.11337	21.4
239.05997	11.3
240.06233	3.7
241.05524	8.0
289.07269	1.8
293.33102	0.9
300.99969	1.9
305.06998	100.0
306.07272	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	721.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
59.45013	0.5
61.98835	50.1
63.96243	1.7
64.42616	0.7
69.03461	1.0
71.01384	9.5
71.37372	0.7
72.99300	1.1
73.02960	1.3
74.34479	0.5
75.00883	0.6
78.98589	6.3
79.95742	13.7
80.96524	74.8
81.03443	1.4
85.02961	3.3
87.00871	4.0
88.98816	1.5
94.98093	16.8
96.20830	0.5
96.96017	1.6
97.02965	1.7
99.00922	0.8
101.02455	3.4
106.98100	3.4
122.97590	4.1
123.04482	0.5
125.02473	3.9
127.04032	0.9
134.97589	6.4
136.99150	1.7
148.99141	6.7
152.98643	6.4
164.98643	13.4
183.13789	0.6
188.98700	0.8
197.11848	2.0
198.08955	0.5
206.99652	2.8
209.11832	6.9
210.12122	1.3
211.13350	3.2
217.10510	0.5
225.00745	24.1
226.01120	1.2
227.12947	0.8
253.09355	0.7
493.17337	2.9
499.30688	0.7
509.16922	1.6
610.74506	0.7
647.33887	1.0
721.31110	100.0
722.31494	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	721.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
61.98520	4.3
61.98837	85.1
71.01385	66.8
72.99315	2.1
78.95937	2.3
79.95720	3.6
80.96527	12.0
81.03469	2.5
83.05035	4.3
85.02966	6.0
87.00884	3.3
88.98795	2.6
89.02458	6.0
97.02929	4.2
97.40285	2.0
98.19849	4.5
99.00897	4.6
101.02448	7.7
103.71161	2.0
109.06646	12.1
113.02472	5.6
125.02441	2.1
125.09715	5.6
135.08209	1.8
148.99049	2.4
161.04544	2.4
163.11368	14.7
164.98526	2.7
165.12831	3.3
171.10277	18.9
181.12318	5.4
185.11780	4.2
197.11774	2.8
199.13396	4.1
201.11301	7.8
207.10268	37.5
208.10646	4.0
209.11839	100.0
210.12177	6.7
225.11320	31.9
227.12881	10.9
235.08101	2.4
243.12315	4.4
253.09419	15.5
296.68268	2.1
302.58469	2.1
417.22833	2.3
461.20135	7.0
464.20969	2.2
472.21060	2.0
522.00580	2.0
635.30133	2.5
672.33447	3.4
689.33606	7.7
701.04932	2.6
721.30505	14.8
722.33276	3.4
722.95374	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	719.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56284	1.0
57.03447	5.7
59.27665	0.8
61.98844	1.0
68.81976	0.8
71.60442	1.5
81.03465	3.3
83.01392	18.6
121.02955	1.5
122.14219	0.8
123.04534	2.6
125.02453	100.0
126.02810	2.7
149.02457	2.5
167.03513	3.7
201.11340	1.3
209.11841	5.1
227.12901	1.2
235.08073	1.0
249.18565	8.5
255.23343	8.8
281.24884	1.5
299.23907	1.0
314.79834	1.1
322.29065	1.0
343.22696	4.5
375.21783	44.7
376.22128	5.4
688.41919	1.1
719.37903	1.7
720.44440	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	720.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32598	0.2
54.89502	0.2
61.98834	100.0
68.78349	0.2
69.46751	0.9
69.47174	0.4
82.67624	0.1
83.36781	0.1
87.84602	0.2
98.20597	0.2
116.13941	0.2
126.75288	0.2
139.00392	0.2
148.49986	0.1
153.51733	0.1
209.11882	0.3
420.33932	0.2
452.82199	0.2
533.36560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13885	0.9
59.01382	2.0
61.98833	60.0
71.01377	2.1
71.37192	1.5
72.99275	1.0
79.01902	1.7
80.96526	1.3
85.02976	1.0
88.67954	0.9
95.01396	2.4
101.02443	2.1
107.01408	4.0
111.00900	1.6
113.02473	1.4
123.00895	14.4
125.02451	16.1
136.98825	1.9
139.00378	5.6
140.01166	3.4
141.01907	1.0
151.00401	8.9
168.00653	2.3
169.01431	17.0
181.76132	0.8
197.11827	3.1
209.11852	3.5
271.04568	1.1
313.05692	1.7
323.41599	1.0
387.78799	1.1
616.39117	0.9
627.34045	2.7
657.34930	100.0
658.35339	18.8
688.32404	1.6
720.30188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29774	0.6
55.85316	0.5
59.01379	2.8
61.98833	51.7
69.03465	0.9
71.01388	3.3
72.99321	1.3
79.01898	0.7
79.95751	0.7
80.96503	2.2
83.01351	1.0
85.02937	1.8
87.00855	1.2
88.98796	1.8
89.02448	1.0
95.01373	1.5
96.96019	3.6
97.02973	0.8
98.19821	1.0
99.00868	2.5
101.02435	2.1
107.01385	3.1
111.00880	2.0
113.02443	1.8
113.06063	0.8
115.73034	0.5
116.34135	0.6
119.03484	0.6
123.00102	0.9
123.00903	11.8
124.01634	0.8
125.02453	16.2
126.02803	0.7
127.00329	1.3
136.98819	1.4
139.00389	4.6
140.01193	3.4
141.01909	1.4
150.03235	0.6
151.00383	6.8
153.01944	1.2
163.11342	1.3
168.00662	2.8
169.01439	16.5
171.10228	1.5
179.03391	0.7
181.12346	2.3
197.11821	1.3
199.13380	1.0
207.10229	2.5
209.11812	9.0
210.12151	1.2
211.02464	3.2
225.11343	3.5
227.12981	0.9
243.12300	2.0
271.04587	2.9
273.16919	1.3
274.17404	1.2
300.99957	0.6
313.05435	1.3
435.13281	1.1
463.96732	0.7
479.21295	0.8
627.34076	2.3
641.22217	0.6
653.77887	0.7
657.34900	100.0
658.35248	20.5
688.32153	0.8
689.33972	11.9
721.31311	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	719.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
56.21200	0.3
57.03453	0.3
58.59439	0.2
59.01382	3.7
61.04263	0.3
61.98835	12.3
65.51686	0.2
69.31536	0.7
69.31951	2.0
71.01388	2.3
71.05006	0.3
73.02962	0.7
75.00891	0.4
80.02686	0.8
81.03466	1.5
83.01383	2.0
83.05027	4.5
84.02158	1.5
85.02979	0.9
87.00893	0.8
89.02452	2.3
95.05052	0.8
96.96004	0.4
97.02982	0.5
97.06596	0.5
98.19815	0.5
101.02456	2.6
113.02463	1.5
119.03513	0.3
123.08144	0.3
124.31538	0.3
125.06085	0.5
125.09735	2.6
127.11336	0.6
135.08168	0.8
143.03542	0.3
147.11852	0.7
161.04573	1.3
163.11301	4.2
165.12840	2.2
171.10281	2.3
181.12370	0.7
182.13025	0.4
191.10811	3.1
207.10281	0.3
209.11833	100.0
210.12143	6.6
211.13464	0.4
213.14992	0.9
223.13412	0.6
226.12057	0.8
227.12888	11.5
228.13208	0.7
235.08214	3.2
239.12918	0.5
241.14540	0.9
243.16045	0.6
253.09294	11.9
254.09691	0.7
271.56320	0.3
273.17081	84.1
274.17404	6.3
445.20892	1.1
465.28827	1.7
466.28717	0.5
483.29535	0.7
509.26221	1.7
553.01135	0.3
657.36139	0.3
679.23389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01376	4.8
61.98834	18.5
69.03469	4.4
69.51441	4.5
71.01387	5.9
71.05016	1.8
80.02699	1.2
80.96529	0.9
81.03461	2.1
83.01373	1.1
83.05037	4.6
83.05441	0.8
84.02159	0.8
85.02952	1.5
86.59096	0.6
87.00875	1.0
89.02448	2.6
95.05009	0.9
97.02979	0.7
97.06568	0.9
98.19917	1.2
99.00896	0.7
101.02438	5.0
108.02148	0.6
113.02451	1.7
123.00881	1.1
123.08153	1.7
125.02483	1.7
125.09731	3.0
130.53429	0.6
135.08208	0.9
147.86182	0.6
151.00423	0.8
151.11285	2.7
153.12866	1.5
161.04594	1.6
161.09703	3.7
163.11288	2.9
165.12849	1.9
169.01381	2.0
178.39601	0.7
179.10782	7.4
191.10770	1.6
197.11832	65.1
198.12233	3.6
209.11835	59.3
210.12183	4.3
221.91603	0.6
223.09779	1.4
227.12923	4.5
235.08170	0.8
238.70338	0.6
241.10783	4.2
253.09200	3.1
289.08340	0.6
325.09113	0.6
345.61166	0.7
401.00986	0.7
466.83292	0.7
468.52542	0.7
477.19891	2.5
656.34082	0.9
657.34961	10.9
687.32330	100.0
688.32666	22.2
719.35211	20.4
720.35706	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	719.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
59.01383	11.3
60.01617	1.0
61.98832	53.1
69.03456	1.5
71.01380	12.0
71.05022	1.4
71.60571	1.7
73.02950	3.7
78.98592	1.3
79.95732	2.8
80.96521	11.8
81.03462	2.9
83.01395	2.9
83.05035	8.4
85.02956	4.6
85.25758	1.1
87.00897	2.4
88.98822	5.0
89.02465	6.0
94.98103	2.1
95.05022	1.3
96.96006	3.1
97.02939	1.7
97.06590	2.1
101.02460	9.7
107.01431	1.2
109.02901	1.3
113.02457	6.5
113.06088	16.4
116.92851	1.0
117.05637	1.3
118.43620	1.1
119.03553	1.6
119.05049	3.2
123.00893	3.6
125.02463	6.7
125.06022	1.3
135.04543	1.4
135.08156	1.3
139.03957	1.3
148.99104	1.7
151.00371	2.6
151.11324	2.4
157.05052	2.9
161.02467	1.7
161.04572	2.7
163.04042	3.2
163.11319	6.5
164.98582	2.2
165.05637	1.3
165.12868	5.1
169.01414	4.0
169.12355	46.8
170.12680	2.0
174.01649	1.0
179.10722	2.5
191.10779	1.4
195.10182	1.2
197.11833	85.9
198.12218	5.3
199.13350	1.3
209.11839	100.0
210.12160	5.6
225.00777	4.3
227.12947	9.0
235.08275	2.0
253.09290	4.8
300.99948	1.9
307.46124	1.1
329.06616	3.3
377.30576	1.1
433.20688	1.2
519.32452	1.3
557.25995	1.6
629.31836	6.6
656.33411	1.5
657.34967	9.3
687.32294	82.1
688.32623	14.1
719.35742	67.2
720.35895	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01197	0.5
53.08110	0.4
55.19252	0.4
56.85571	0.5
57.03453	0.9
59.01378	3.7
61.98832	100.0
69.03443	0.7
69.90075	1.1
69.90485	1.6
71.01380	10.2
72.99317	2.0
73.02935	0.9
73.92059	0.5
75.00876	32.6
79.95751	0.9
80.02687	0.8
80.96521	1.9
81.03465	1.4
83.01402	1.4
83.05023	2.5
85.02959	1.3
86.04579	0.5
87.00893	1.2
88.98817	1.5
89.02456	1.3
95.05016	0.8
96.14548	0.4
96.96022	1.0
97.02971	1.9
99.00907	0.9
101.02451	2.6
109.06601	3.5
111.04527	1.1
113.02468	1.8
116.92862	1.0
121.06586	0.5
123.04492	0.5
125.02445	1.6
125.09744	1.4
135.08174	0.8
144.78482	0.5
145.91519	0.4
161.04602	1.2
161.09782	1.4
163.11266	3.0
165.12837	0.9
169.01419	0.6
169.12334	0.8
171.10298	6.6
172.10611	0.9
178.90912	0.4
179.05695	0.5
179.10796	1.4
181.12411	1.5
185.11839	1.1
191.10780	1.0
197.11836	6.9
199.09673	0.6
199.13538	1.0
205.08661	2.9
207.10291	7.1
208.10681	0.8
209.11841	50.6
210.12195	2.5
211.13416	1.8
212.13890	0.6
213.11366	0.9
216.40125	0.5
221.11980	0.6
223.09760	4.6
225.11363	4.1
227.12917	6.9
235.08234	2.3
241.14635	0.7
253.09250	5.6
254.09882	0.6
259.02908	0.5
273.17087	39.1
274.17456	3.2
303.05038	0.8
327.21472	0.5
328.22287	0.8
433.20773	0.9
445.21082	0.7
458.13443	0.5
459.19040	1.0
461.20267	0.7
589.49200	0.5
620.70782	0.5
651.30737	1.4
657.38281	0.6
669.31714	1.5
687.32153	2.2
719.30634	2.0
719.36304	1.7
725.12805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	0.7
68.18286	0.4
71.37215	0.4
71.60247	0.8
73.06497	0.4
73.99374	0.4
79.95766	1.6
80.32912	0.4
80.66038	0.4
82.21720	0.4
92.16576	0.5
95.01411	0.5
96.96017	90.4
98.95630	0.6
103.22398	0.5
109.02946	0.6
113.09743	2.5
121.03032	0.5
123.04553	1.2
125.02461	8.7
137.02467	1.2
145.02983	0.5
151.03937	1.0
159.10271	12.0
161.02426	2.2
169.01396	1.3
177.02049	0.6
189.01910	0.6
191.03561	0.7
203.03416	0.5
217.05014	0.6
225.11411	0.7
229.01390	0.6
231.03001	1.3
239.05951	100.0
240.06233	4.1
243.02951	0.9
245.00984	0.6
245.04684	1.0
247.02580	0.7
249.04044	1.7
257.00894	0.9
275.01779	2.3
287.05600	1.2
289.07193	1.4
299.99103	0.8
300.99936	6.8
302.00406	1.2
305.07053	4.1
316.02097	0.6
340.99387	0.6
373.11447	0.6
449.98514	0.6
450.99466	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	719.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.2
61.52317	4.5
69.47803	28.2
71.01394	5.0
73.79881	4.6
89.02476	8.8
105.68394	4.1
112.46803	4.6
113.02469	6.7
127.60748	4.3
193.16255	4.0
290.93774	4.7
341.06848	5.8
341.10770	31.4
368.54471	4.6
377.08594	100.0
378.08939	5.4
378.89502	4.7
432.92285	4.9
542.48956	5.0
644.12378	5.0
676.65601	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	719.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37822	0.7
54.73510	0.6
59.01395	2.5
61.98835	100.0
62.27203	0.6
63.96241	0.9
69.44004	6.4
71.01388	8.9
71.11785	0.7
73.02952	1.8
73.91727	0.6
76.09849	0.8
78.95938	1.5
78.98595	4.4
79.95737	10.7
80.96523	55.4
83.05022	0.9
84.00526	0.7
85.02954	2.4
87.00883	2.3
88.98824	0.7
89.02476	0.8
94.98100	13.4
94.98672	1.4
95.01388	1.0
96.95999	2.2
97.02954	2.0
98.20592	1.1
101.02446	2.4
106.98090	2.7
108.16677	0.7
112.96203	0.7
113.02529	0.8
116.92880	0.7
122.97598	2.5
125.02449	2.9
134.97632	3.7
136.99136	0.9
138.27464	0.7
148.99193	4.5
152.98621	4.4
152.99667	0.9
159.44388	0.8
163.11119	0.9
164.98663	8.9
183.13933	1.3
185.11848	3.4
197.11806	2.6
199.13531	0.9
206.99661	2.5
207.10248	1.3
209.11833	9.1
210.12192	1.5
211.13434	25.5
212.13666	2.5
225.00734	16.6
227.12909	1.8
235.08446	0.8
253.09340	1.8
273.17126	1.9
300.99725	0.9
447.22189	2.1
509.16794	1.4
719.29480	76.0
720.29761	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38694	0.1
59.01380	0.5
61.98832	100.0
62.98528	0.2
71.01392	0.6
78.95941	0.2
80.38339	0.1
85.02962	0.3
87.00889	0.3
87.33243	0.1
88.98821	0.6
89.02448	0.2
97.02950	0.2
101.02427	0.3
107.43223	0.1
109.06626	0.2
113.02417	0.2
118.96609	0.1
121.01022	0.1
121.03109	0.1
125.02454	0.2
125.70757	0.2
166.06500	0.1
169.01503	0.3
171.10272	4.2
172.10582	1.2
207.10352	0.4
209.11841	1.4
210.12277	0.3
211.13403	0.9
212.13736	0.3
225.11342	0.2
227.12865	0.3
229.14398	0.2
235.08252	0.4
236.08585	0.2
253.09319	1.0
254.09723	0.5
273.17062	1.2
309.20877	0.3
310.21252	0.3
327.21835	1.1
328.21976	1.2
463.45901	0.2
536.16455	0.2
568.12341	0.2
655.35187	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	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23882	0.7
59.01379	3.1
61.98837	28.2
67.01872	1.1
71.01383	4.2
72.99330	1.0
73.02946	1.5
76.50485	0.6
79.01882	1.2
80.96523	2.2
83.01399	0.9
85.02969	1.5
89.02446	1.6
95.01381	2.2
96.96004	1.6
97.06589	0.7
99.00829	0.9
101.02456	2.1
107.01392	4.4
111.00893	2.4
123.00894	13.4
125.02460	18.2
126.02810	0.8
136.98766	1.0
139.00410	3.6
140.01147	3.7
141.01941	1.1
151.00385	9.1
163.04016	0.8
167.28337	0.8
168.00601	2.1
169.01425	21.2
174.15164	0.8
209.11736	1.9
211.02487	2.3
231.10826	0.7
232.75673	0.8
271.04541	1.8
313.05832	1.5
403.82504	0.9
592.22742	0.9
625.31915	2.9
629.32263	1.3
640.33655	0.8
655.33350	100.0
656.33704	23.7
687.31622	1.6
719.29504	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	718.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88536	0.1
59.01373	0.7
60.88338	0.1
61.13239	0.1
61.98835	100.0
67.30828	0.1
71.01380	0.2
71.26563	0.2
72.20791	0.1
78.95937	0.2
80.96535	0.4
109.44614	0.1
140.01265	0.1
140.38257	0.1
169.12379	0.2
183.13899	0.2
195.13914	0.1
197.11850	3.5
199.13409	0.3
207.10345	0.3
209.11862	0.5
211.13428	3.8
215.34839	0.1
227.12935	0.5
239.12918	0.3
253.09328	0.3
273.17096	0.6
285.41040	0.1
293.21179	0.2
300.99939	1.0
433.20859	0.3
447.22543	0.4
447.54025	0.1
469.85568	0.1
607.62134	0.2
609.33228	0.2
718.40546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98555	0.1
64.41821	0.1
64.85915	0.1
69.35704	0.4
69.36129	0.6
70.10493	0.1
71.01400	0.1
92.20657	0.1
190.03893	0.1
197.11882	0.3
209.11829	0.3
211.13467	0.5
227.12955	0.3
234.62003	0.1
241.14450	0.1
253.09212	0.1
273.17160	0.2
538.22748	0.1
645.30469	0.1
718.40167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98835	100.0
62.98541	0.1
66.66242	0.1
69.84419	0.3
69.84835	0.3
71.01393	0.2
73.02951	0.1
78.95916	0.2
80.96505	0.2
86.98768	0.1
89.02540	0.1
116.43630	0.1
160.87106	0.1
171.10332	0.1
173.36584	0.1
183.13889	0.1
185.11862	0.1
197.11873	0.7
199.13438	0.2
207.10306	0.4
209.11858	0.8
210.12248	0.1
211.13388	1.3
227.12901	0.3
239.12993	0.4
253.09161	0.2
273.17157	0.6
274.10172	0.1
293.21414	0.2
300.99860	0.9
325.21997	0.1
387.18668	0.1
418.50098	0.1
493.70020	0.1
648.10052	0.1
718.30841	0.2
719.40283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.6
61.98832	6.4
65.00330	3.1
69.81249	9.6
71.06543	1.5
72.38934	1.8
79.01880	2.1
81.03470	5.4
83.01403	18.1
94.19135	1.8
95.05038	3.0
107.01361	2.2
108.02197	1.8
121.02989	2.7
123.04538	4.3
124.01696	1.8
125.02457	100.0
126.02762	3.2
139.04002	4.2
149.02448	1.6
150.85573	1.7
151.00409	2.3
151.03902	1.6
167.03552	3.2
209.11865	6.3
247.17055	3.3
279.23282	3.6
299.20200	3.1
313.21573	3.0
343.19168	31.0
344.19626	3.0
357.20624	23.1
373.20126	35.5
373.24344	2.8
374.20691	4.7
381.21014	2.0
384.69815	1.8
397.08121	1.7
491.24414	4.5
505.26199	5.1
517.26093	4.1
535.27045	43.0
536.27008	10.2
718.44348	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	717.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14969	1.5
61.98834	1.9
69.89345	3.6
69.89763	5.9
71.01384	1.6
78.95908	1.6
79.01888	1.7
81.03475	7.7
120.35480	1.5
123.04502	5.2
125.02451	7.3
151.00333	3.0
153.05603	6.9
167.03482	1.6
179.03542	2.5
180.04343	2.6
194.05872	1.8
225.11330	4.4
249.18515	2.6
255.23312	14.1
289.21793	14.4
290.21854	2.1
333.20737	100.0
334.20990	10.7
339.23386	3.9
383.22290	61.3
384.22427	7.4
717.44946	10.6
718.44751	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	717.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98831	6.2
67.80688	0.2
69.76910	0.2
71.01385	1.0
73.38773	0.3
84.49563	0.2
84.75113	0.3
85.02962	0.3
87.00885	0.5
88.98810	0.5
89.02478	0.4
92.53015	0.2
96.96040	0.8
97.02953	0.3
101.02473	0.6
107.01381	0.4
108.02162	0.5
109.02950	0.3
113.02486	0.5
116.92858	0.4
119.28072	0.3
120.99660	100.0
121.99973	1.1
123.00938	0.3
123.04512	0.4
125.02447	1.2
131.60576	0.3
136.01627	0.4
137.02449	0.4
139.42596	0.3
145.02997	0.3
149.02388	0.3
151.00392	0.6
151.04063	0.4
165.05536	0.4
169.01439	1.0
175.04022	0.9
192.99692	0.5
195.06683	0.4
196.01802	0.3
208.02121	0.4
209.11868	0.4
211.04227	0.4
216.21091	0.3
223.04408	0.4
241.05238	0.6
271.02557	0.4
299.99115	0.4
300.02484	0.3
300.99911	0.8
301.03671	0.3
328.22052	0.2
519.31769	0.5
717.24310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
61.98837	100.0
62.05835	0.5
71.01371	2.7
80.02697	1.1
83.05039	2.6
87.00886	0.7
88.98812	1.8
89.02462	1.1
95.05077	0.4
96.96044	0.7
101.02459	1.4
104.63454	0.5
109.06577	0.7
113.02460	0.5
120.09967	0.4
125.02454	0.7
135.08066	0.5
161.04607	0.7
163.11287	2.4
165.12854	1.3
171.10258	1.0
181.07697	0.5
181.12358	0.6
183.13922	3.0
191.10986	0.5
193.12291	0.5
197.11792	1.0
199.13414	1.5
207.10181	1.4
208.10693	0.6
209.11848	67.6
210.12204	3.8
210.89920	0.4
211.13409	53.5
212.13785	4.7
225.11316	1.5
226.11697	0.5
227.12939	10.8
235.08267	2.1
253.09300	4.6
273.16931	0.7
300.99963	0.5
354.46933	0.5
397.75549	0.5
421.25818	0.6
445.20810	2.2
447.22464	3.9
463.21164	0.7
499.75278	0.5
500.16318	0.5
546.70978	0.5
621.32642	0.9
621.44946	0.5
625.12622	0.5
639.33746	1.4
657.33759	0.7
718.38806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
61.98837	100.0
71.60960	0.3
78.95902	0.2
89.42991	0.2
107.42252	0.2
126.89680	0.1
126.92908	0.2
151.62115	0.2
171.10318	1.2
172.10599	0.3
197.11891	0.2
209.11842	0.4
211.13390	0.9
212.13803	0.5
213.13934	0.2
223.13472	0.4
224.13823	0.3
289.18347	0.2
290.18735	0.2
332.53589	0.2
334.16449	0.2
593.77771	0.2
716.39081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05019	0.1
53.14939	0.1
59.01377	0.1
61.98834	100.0
62.98546	0.2
66.88772	0.1
78.95931	0.1
104.28287	0.1
105.79449	0.1
203.50659	0.1
209.11920	0.2
256.23581	0.1
293.21402	0.1
398.13647	0.1
399.14148	0.2
400.14203	0.2
452.35904	0.1
594.64258	0.1
690.87689	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	716.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70911	0.1
61.98832	100.0
62.98526	0.3
65.66213	0.2
70.32497	0.1
71.01393	0.2
71.61662	0.2
89.02459	0.1
111.73523	0.2
121.02955	0.1
125.02450	0.2
133.31476	0.1
139.10609	0.1
147.54466	0.1
209.11826	0.2
277.21689	0.2
300.99844	0.2
461.57559	0.2
478.56683	0.2
716.41870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95749	0.6
91.30914	0.6
97.89898	0.5
101.01846	0.5
170.00476	1.0
183.01215	26.8
184.01738	2.0
197.02791	1.4
216.00945	1.0
325.18442	100.0
326.18735	9.6
326.22241	0.9
375.03357	0.7
626.29346	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	716.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33220	0.2
53.15436	0.1
57.15159	0.2
58.67075	0.2
59.01381	1.2
59.35881	0.2
61.98834	100.0
62.98499	0.2
71.01376	0.1
77.74322	0.1
78.95940	0.3
98.20638	0.3
101.82828	0.2
123.94147	0.1
141.16518	0.2
151.49727	0.1
154.11584	0.2
171.10292	1.1
172.10600	0.2
197.11801	0.2
209.11868	0.5
211.13463	0.7
212.13776	0.6
219.09061	0.2
223.13538	0.5
224.13768	0.5
225.14069	0.2
235.08289	0.2
253.09360	0.3
343.65918	0.2
459.34433	0.2
716.38275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
57.58554	0.7
59.01382	9.7
71.01391	11.3
71.05006	0.9
72.99300	5.2
75.00876	14.5
81.03458	1.3
83.01369	1.3
83.05032	4.2
84.02137	1.0
85.02953	15.7
87.00881	5.3
88.82166	0.9
89.02430	2.4
95.01389	3.4
99.00903	7.7
103.00374	1.5
110.98560	0.8
113.02454	16.6
115.00368	1.5
117.01917	1.8
129.01935	1.6
149.49277	0.8
163.11252	2.5
165.12851	1.8
175.02490	4.7
191.10727	1.1
197.11841	2.9
209.11838	40.8
210.12167	3.7
213.53395	0.8
227.13013	4.3
249.06154	2.1
255.23293	33.5
256.23599	3.2
294.47568	0.9
357.20483	1.3
450.19614	1.0
459.65994	1.2
477.19635	3.3
505.29935	1.1
697.43036	1.0
715.42749	100.0
716.43231	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
59.01382	12.1
61.98830	1.1
67.40369	0.9
68.99783	1.0
71.01385	12.7
71.60570	1.5
72.99305	4.3
75.00880	16.4
79.95735	6.2
80.64101	0.9
80.96510	2.6
81.03438	1.4
82.87267	1.0
83.05030	1.7
85.02960	13.8
87.00883	4.0
89.02451	2.8
95.01395	4.1
97.02943	2.9
99.00874	8.5
103.00385	1.8
109.06599	11.9
113.02454	13.7
115.00407	1.3
116.92843	2.7
117.01939	2.6
135.08177	2.0
163.11299	6.8
175.02423	1.6
181.12303	2.3
193.03506	1.2
207.10254	18.7
208.10533	1.6
225.00737	1.6
225.11298	8.1
255.23300	31.9
256.23587	1.2
385.87076	1.1
411.13214	1.8
475.18408	2.8
505.29813	1.4
630.31531	1.3
695.40015	2.1
713.41138	100.0
714.41510	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	713.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11416	0.5
63.66504	0.5
69.51311	4.2
72.04586	0.5
76.45920	0.5
90.30154	0.5
98.20648	1.0
104.38152	0.5
111.19447	0.5
133.24669	0.5
271.04633	1.0
677.49078	3.2
678.49878	0.7
713.47394	100.0
714.47742	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	715.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92116	2.3
57.03457	2.7
57.90210	2.2
59.01139	2.3
59.01383	28.6
61.98520	4.2
61.98833	72.1
66.59290	2.0
69.03444	2.4
69.55493	4.8
69.55897	15.3
70.22371	2.3
71.01381	11.3
81.03468	3.8
83.05042	4.0
85.02966	4.0
87.00866	2.8
88.98807	3.3
89.02460	3.0
97.02940	9.9
97.06624	5.2
98.19817	3.8
99.00900	2.8
101.02447	9.3
109.06602	38.0
113.02436	5.4
119.03505	2.5
125.02422	3.7
125.09731	23.5
135.08176	2.7
142.02591	2.8
145.05032	2.4
161.04576	3.6
161.09674	2.6
163.11308	21.2
171.10237	4.4
177.03561	1.9
181.12332	7.4
183.13876	9.0
185.11867	5.9
187.09779	12.4
193.12277	3.3
197.11824	5.1
207.10271	91.0
208.10535	6.1
209.11833	8.9
211.13399	100.0
212.13736	8.1
223.13521	3.5
225.11328	52.7
226.11546	3.6
235.08238	7.1
253.09264	15.6
339.23047	2.9
373.23712	4.2
383.22281	6.1
391.24860	2.8
401.23270	13.3
419.24359	6.5
443.19409	4.4
447.22202	4.2
461.20428	17.6
554.29150	2.6
609.32635	5.9
637.32178	40.8
638.32379	9.8
655.33380	43.0
656.33679	8.9
715.39258	29.7
716.39301	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	713.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18508	2.7
69.62418	12.5
69.62824	5.5
76.79724	2.6
78.22780	2.3
78.95930	2.5
95.05012	6.2
97.02955	4.4
120.01352	2.5
139.04027	13.9
159.10178	2.3
166.02715	5.1
176.73729	2.6
176.94226	2.6
180.04216	4.9
193.05002	3.5
325.21738	5.7
369.20718	100.0
370.20944	11.0
713.40289	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	713.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
56.12941	0.8
57.03440	1.3
61.77130	0.8
61.98840	1.5
71.61580	0.9
71.61988	1.0
72.11521	1.1
78.25737	0.9
78.95871	0.9
79.01900	3.3
81.03425	1.0
83.05016	1.5
85.06588	2.4
97.02924	1.6
99.12203	0.7
107.05009	3.6
109.06593	8.0
111.04524	3.3
121.06632	1.3
121.26408	0.8
122.61987	0.8
123.00819	0.9
123.04521	5.1
125.02439	2.0
135.04517	3.6
137.02478	1.1
139.07648	1.5
151.04028	15.0
151.07626	2.7
152.04805	5.6
153.04428	1.4
153.05582	16.9
163.07643	3.4
165.01945	4.4
165.05544	3.0
177.01938	2.4
178.06364	0.9
179.02040	1.4
179.03502	14.2
179.07187	4.7
180.04308	15.6
192.04294	2.4
192.46457	0.9
193.05087	8.1
194.05838	14.7
195.06453	1.8
203.14363	1.6
207.06630	37.1
208.07375	6.6
212.03249	3.0
221.08186	3.8
226.04842	2.1
240.06419	2.1
247.09659	1.4
248.10362	1.0
255.23479	1.0
261.11353	4.1
287.12778	2.5
288.13638	2.3
289.14203	1.0
290.15170	1.8
299.44266	0.9
301.14447	3.0
301.90320	0.9
313.21829	6.7
315.91333	0.8
327.15918	5.2
327.19394	1.4
334.61319	1.0
341.17465	2.6
355.19159	72.9
356.19864	38.9
357.20718	100.0
358.21103	11.3
388.18854	1.7
391.77625	0.8
420.17969	1.0
447.25751	1.1
470.87131	0.9
476.21790	1.1
491.24213	5.3
713.41290	4.6
714.41467	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	713.2301
Annotation	Kunzeaphlogin E
Peak:m/z	Relative Intensity
57.03454	10.3
59.01101	1.1
59.01380	14.0
61.98812	3.6
67.01883	3.0
69.03472	2.3
69.80082	6.4
71.01390	8.4
72.99280	1.4
73.02945	6.0
79.01899	1.7
81.03448	2.4
83.01398	11.8
85.02935	2.6
89.02440	4.5
95.01366	4.0
96.95999	6.5
97.02964	3.1
98.20604	1.9
99.04496	2.0
101.02451	6.4
107.01397	17.0
109.02963	1.2
111.00875	2.0
112.69699	1.2
113.02422	4.0
116.92864	3.7
121.02940	3.0
121.25254	1.0
123.00895	25.6
125.02451	66.9
126.02781	1.7
135.04506	1.6
137.02438	3.4
139.00392	6.9
139.04045	1.6
140.01111	3.3
141.01888	3.1
151.00389	19.6
151.04036	1.2
152.00803	1.2
153.01918	2.4
163.04010	1.4
165.01920	1.2
166.06358	17.0
166.99918	1.5
167.03488	3.0
168.00687	5.5
169.01433	100.0
170.01727	2.8
181.08711	12.7
183.02936	1.7
193.01402	2.1
200.83034	1.1
203.03453	1.7
211.02475	15.0
212.02844	1.8
248.42763	1.3
249.08028	4.7
261.69052	1.2
271.04572	4.5
275.01956	1.8
289.07007	1.2
299.99228	2.0
300.99896	5.1
302.06967	1.3
313.05490	4.0
316.02344	1.8
331.06726	31.6
332.06897	1.4
338.82019	1.2
373.07758	29.9
374.08069	2.4
413.10980	6.5
415.08771	9.0
416.08942	1.6
439.08951	11.3
453.12576	1.3
457.09967	3.9
569.18646	3.7
611.19830	3.1
695.21906	3.9
713.22998	62.9
714.23193	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	713.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30582	0.5
57.03442	0.9
58.00589	0.8
59.01387	15.1
61.98813	0.8
64.03485	0.5
69.03455	2.3
69.67580	3.1
71.01376	3.1
80.77692	0.5
85.02991	0.9
87.00906	0.8
89.02462	2.7
92.21590	0.5
98.19958	0.8
101.02464	3.0
101.13062	0.6
113.02447	1.7
125.09712	1.7
147.52679	0.7
161.04593	1.5
167.10789	2.4
179.10802	1.2
179.14430	2.2
183.13918	6.7
187.09756	0.9
193.12355	1.6
195.13916	7.3
201.11414	1.1
205.12357	6.7
211.13416	100.0
212.13742	6.7
213.84630	0.5
223.13406	70.1
224.13747	5.2
235.08284	3.5
253.09308	7.2
256.83710	0.7
345.01779	0.6
399.25397	1.0
417.26328	0.8
429.21405	1.0
441.21426	1.5
447.22375	7.6
448.22485	0.6
459.22369	10.1
460.22858	1.4
515.15167	0.6
567.31360	0.6
599.68805	0.6
635.34760	2.1
636.35236	0.8
653.35602	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	713.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
59.01382	2.4
61.98840	14.9
63.02412	0.7
65.00335	2.1
65.81489	0.4
69.47528	1.8
69.47945	1.2
69.77821	0.4
71.01401	1.4
79.95739	0.5
83.01385	1.9
85.02950	0.5
87.00876	0.7
88.98816	1.1
89.02484	0.7
92.39620	0.5
93.03515	0.7
95.01388	0.6
96.96022	2.6
101.02467	0.7
107.01402	4.2
107.01898	0.4
108.02216	0.9
109.02995	2.5
113.02519	0.6
116.92876	2.7
119.01394	0.4
121.02975	3.6
123.00887	0.7
123.04556	0.6
124.01698	0.4
125.02449	2.7
127.00706	0.4
134.03758	0.6
136.01726	0.5
137.02417	0.6
145.03017	0.5
148.01730	0.8
149.02437	0.6
150.03271	0.6
151.00388	19.7
151.04030	0.7
152.00787	0.5
159.04514	0.5
161.02489	0.9
163.00403	2.6
163.04010	0.6
164.01050	0.8
165.05583	0.8
167.03464	0.4
169.01405	2.5
175.04056	1.1
178.99875	9.9
179.03352	0.6
180.00374	0.5
183.04480	0.5
187.03996	0.6
190.99861	0.6
193.01530	0.7
195.06721	0.7
197.04601	0.7
201.05615	0.9
203.03535	0.7
211.04022	1.1
215.03543	0.5
216.04164	0.5
223.13417	0.6
226.02701	0.9
227.03625	2.4
229.05127	1.2
235.53951	0.4
240.91846	0.4
243.03003	7.2
245.04608	1.9
254.02238	1.2
255.03004	18.6
256.03415	1.6
257.04535	0.7
271.02499	34.0
272.02936	4.0
273.04086	1.5
283.02390	2.7
299.02017	1.0
300.02774	62.7
301.03531	100.0
302.00653	0.5
302.03906	7.0
411.16827	3.1
437.80576	0.4
459.94952	0.4
463.08881	23.6
464.09103	2.0
471.33389	0.7
505.35626	1.5
651.20599	1.2
653.19019	2.5
675.36572	0.8
713.20844	31.2
713.33881	1.0
714.20966	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	713.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63846	0.4
57.03440	0.5
59.01389	2.1
61.98835	17.2
63.02405	0.9
65.00331	2.4
65.82966	0.3
66.26855	0.4
69.29959	2.7
69.30387	1.3
69.58705	0.3
71.01394	1.5
73.02929	0.4
79.95747	0.7
83.01413	2.1
85.02949	0.5
85.65139	0.4
87.04507	0.4
88.98817	1.2
89.02441	0.8
93.03487	0.6
95.01419	0.4
96.96016	3.2
97.02924	0.5
101.02443	0.9
107.01404	6.2
108.02179	1.4
109.02962	3.0
113.02483	0.9
116.92878	2.4
121.02962	4.3
123.00899	1.3
123.04517	0.9
125.02456	2.6
134.03716	0.4
135.00890	0.7
135.04524	0.6
137.02466	0.9
139.03996	0.5
140.01184	0.5
145.03020	0.4
147.04575	0.5
148.01711	1.2
149.02480	1.0
151.00381	20.5
152.00673	0.6
153.02008	0.7
153.05591	0.6
159.04585	0.9
160.01605	0.5
161.02452	1.0
161.04572	0.5
161.05928	0.4
161.09706	0.6
163.00392	3.4
163.03999	0.4
164.01155	0.8
165.01941	1.1
165.05511	0.5
168.04367	0.4
169.01469	2.6
171.04555	0.5
175.03981	0.9
176.58997	0.4
177.01950	0.4
177.05698	0.4
178.99879	10.3
179.05812	0.4
179.10722	0.6
180.00232	0.4
183.04524	0.5
185.06082	0.4
185.88681	0.4
187.03983	0.6
189.09193	0.4
190.99873	0.8
191.03458	0.4
195.06633	0.5
197.04535	0.6
199.04010	1.2
201.01978	0.4
201.05553	0.7
203.03540	0.8
205.12231	0.5
209.12048	0.9
211.04013	1.5
216.04105	0.4
217.01480	0.4
226.02663	1.1
227.03525	3.0
228.04138	0.4
229.05023	0.9
231.02750	0.4
235.10335	0.4
243.03014	7.4
244.03651	0.4
245.04630	1.9
254.02161	1.9
255.02998	20.4
256.03500	1.8
257.04541	0.5
271.02469	38.8
272.02991	4.3
273.04105	1.9
275.01807	0.6
283.02524	3.1
289.07297	0.6
291.99261	0.5
299.02142	1.2
300.02753	64.1
301.00159	4.8
301.03510	100.0
302.00458	0.8
302.03836	7.5
323.73947	0.4
345.13538	0.5
364.92148	0.3
394.36353	0.3
411.16684	3.2
463.08862	21.3
464.09045	2.5
471.33224	1.4
505.35294	3.9
627.53607	0.4
651.20374	0.8
653.18542	1.7
675.36224	0.5
695.19153	0.6
713.20776	32.5
713.33795	1.3
714.21185	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	712.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82724	0.2
57.03464	0.3
59.01384	1.0
59.03057	0.2
61.98833	100.0
71.01394	0.4
72.99321	0.2
75.00873	0.1
83.01411	0.2
88.98817	1.0
89.02422	0.3
96.96030	0.6
101.02444	0.5
118.05063	0.2
123.00885	0.3
125.02454	1.7
126.02773	0.3
137.02457	0.3
145.94357	0.2
151.00381	0.4
151.03998	0.2
161.02464	0.4
165.12859	0.2
169.01434	0.6
185.11938	0.2
207.10289	0.2
209.11877	1.1
210.12265	0.4
211.13467	0.3
227.12964	0.4
227.90804	0.2
263.58664	0.2
268.45334	0.2
271.02423	0.3
289.07120	0.3
300.02893	0.2
300.99979	0.9
301.02924	0.2
302.00430	0.4
316.02289	0.2
381.06326	0.3
387.75626	0.2
409.61966	0.2
487.34402	0.6
488.34625	1.1
489.35080	1.2
490.35342	1.5
541.17761	0.2
649.28998	0.2
712.35022	0.6
713.36633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61028	1.9
71.05028	4.0
72.68102	0.3
79.95712	2.0
95.95228	0.3
96.96013	98.7
97.50530	0.3
97.95949	0.4
98.20596	0.6
106.49401	0.3
110.03806	0.3
111.22995	0.3
113.62524	0.2
115.00335	0.3
117.38669	0.3
120.64410	0.3
167.98431	0.3
185.11809	1.9
221.08525	12.0
222.08836	0.5
248.13815	0.3
265.07501	100.0
266.07834	6.0
446.03540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.2
61.98566	1.0
61.98832	7.2
68.16991	1.1
71.01398	1.3
71.61131	1.6
73.02946	1.1
85.02920	1.3
88.98823	1.4
89.02440	1.9
96.96017	5.1
101.02441	2.2
109.02908	1.2
113.02415	1.6
116.92869	1.7
120.99577	1.1
123.04529	3.0
123.24190	1.1
125.02466	4.5
134.51166	1.2
137.02385	2.0
149.02487	1.6
154.63823	1.3
167.03477	8.3
169.01436	3.3
170.01901	1.2
176.14366	1.1
179.03473	1.5
181.04887	1.2
188.80365	1.3
192.87827	1.2
201.11339	3.0
207.05075	1.4
209.11842	5.0
210.12146	2.9
300.99884	2.0
387.27728	1.3
392.41833	1.3
409.31168	2.7
453.30106	2.9
485.32709	4.1
489.32294	6.3
490.32925	1.3
503.33835	100.0
504.34140	17.8
665.38763	2.6
675.35999	2.2
711.39246	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	712.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97764	0.2
59.01384	1.3
60.01703	0.2
61.98835	100.0
62.98564	0.2
68.19934	0.2
69.54270	0.6
69.54694	0.5
72.99295	0.1
75.00899	0.2
78.62812	0.1
95.63187	0.1
98.19881	0.2
125.02483	0.5
145.05144	0.1
171.10254	0.2
207.10205	0.2
208.10336	0.1
209.11798	0.8
210.12294	0.2
211.13283	0.7
212.13831	0.2
225.11333	0.2
253.09319	0.2
450.51825	0.2
487.34015	0.2
488.34613	1.0
489.34937	1.1
490.35428	1.3
713.35089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98834	100.0
62.98545	0.2
62.99256	0.1
77.06142	0.1
88.98832	0.1
98.19897	0.1
108.72439	0.1
114.74551	0.1
120.79706	0.1
122.76546	0.1
238.58810	0.1
271.02454	0.2
295.32224	0.1
300.02933	0.2
301.03619	0.3
304.92123	0.1
435.43744	0.1
463.08878	0.1
487.34610	0.2
488.34644	1.0
489.35025	1.0
490.35220	1.2
491.35825	0.1
713.22272	0.1
713.36182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60653	0.1
59.01389	0.8
59.79181	0.1
59.86125	0.1
61.98835	100.0
66.34982	0.1
71.01391	0.3
71.61285	0.2
71.70555	0.1
87.04565	0.2
88.98840	0.3
93.06084	0.2
93.77220	0.1
96.96031	0.4
119.79750	0.2
123.00943	0.2
125.02469	0.4
137.02510	0.2
140.94632	0.2
169.01501	0.2
209.11929	0.3
211.13423	0.4
212.13858	0.2
225.88734	0.1
242.68954	0.2
381.58850	0.1
392.07333	0.2
488.34772	0.5
489.34921	0.8
490.35782	1.4
540.70996	0.2
551.30713	0.3
644.01495	0.2
712.35608	0.3
713.36127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98833	100.0
71.01377	3.1
71.14620	1.0
71.60287	1.3
78.95895	1.2
79.95696	1.2
85.02962	1.5
87.00832	1.0
88.98796	2.1
89.02426	1.3
96.96017	4.1
101.02446	2.1
124.33637	0.9
125.02446	2.8
137.02458	0.9
146.75429	0.8
151.03987	1.1
164.04851	1.1
165.09096	0.9
169.01472	1.3
181.05299	1.1
190.02663	1.8
195.06419	1.0
197.11807	7.1
201.11322	4.3
202.55890	1.0
202.80286	1.1
205.05060	2.4
209.11841	17.6
210.12184	1.3
211.13396	19.5
212.13680	1.6
227.12914	4.7
251.16489	1.5
253.09334	2.2
254.54478	1.0
291.07892	1.0
297.97580	1.6
300.99774	2.4
312.99649	1.4
343.04437	2.5
445.20438	1.7
447.22665	4.9
487.34073	2.7
488.34491	3.9
489.35263	9.7
631.33191	3.1
639.34149	1.6
711.34143	9.6
712.33698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
59.01380	19.3
61.98833	100.0
70.43083	3.3
70.43427	8.4
71.01376	7.6
78.95900	9.5
83.01379	2.3
83.05031	3.8
85.02932	2.9
88.98817	7.2
89.02422	6.8
96.96001	7.1
96.96957	4.1
101.02433	5.4
108.05236	2.5
109.02955	3.5
111.00832	3.0
113.02479	4.5
114.44176	2.5
123.04467	2.5
124.33706	2.7
125.02457	8.6
155.92279	2.4
165.05695	2.8
169.01407	4.0
179.05609	2.7
190.02591	3.0
197.11850	26.1
201.11301	4.9
204.08041	2.3
209.11826	36.6
210.12187	4.2
211.13437	20.9
222.30852	2.5
225.11263	3.6
227.12883	10.9
233.21919	3.1
235.08168	4.2
253.09369	4.6
282.74347	3.1
346.42682	2.9
430.20062	2.9
471.34723	7.6
472.34933	4.6
489.35361	10.4
490.35873	2.9
490.59415	2.8
693.32867	2.9
711.33173	18.6
712.33856	5.0
722.67438	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
60.94194	2.9
61.98835	100.0
69.37717	28.7
71.01392	6.6
71.11503	3.3
74.27637	3.9
88.98869	3.3
89.02459	6.3
92.58162	3.1
96.96007	4.7
98.20650	7.5
101.02450	4.8
109.02953	3.2
115.38204	2.7
123.04514	5.1
125.02448	4.4
137.02507	7.5
169.01430	3.4
170.17001	3.0
197.11839	67.1
198.12088	3.4
209.11847	64.2
210.12111	7.2
211.13467	18.7
227.12883	21.5
235.08255	3.4
244.39308	3.3
253.09218	8.0
281.68930	3.6
289.07260	7.0
301.03564	3.8
312.08783	3.2
312.99875	5.3
328.02243	5.4
343.04544	4.9
415.19778	4.1
433.20633	9.2
445.20840	7.3
447.22305	4.2
524.80811	3.7
537.47192	3.3
625.32062	6.8
630.35645	3.7
643.32397	3.9
711.33636	34.1
712.33905	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	710.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85425	0.2
59.01387	1.3
61.98835	100.0
71.01396	0.5
73.74837	0.1
78.95902	0.2
85.02950	0.2
88.98825	0.3
89.02458	0.3
96.96019	0.3
98.19757	0.2
99.12272	0.2
101.02465	0.3
116.92861	0.3
123.00912	0.3
125.02472	0.4
137.06120	0.2
169.01425	0.4
171.10298	0.2
186.58368	0.2
209.11809	0.4
210.12184	0.2
227.12860	0.2
228.27536	0.2
237.06555	0.2
287.01892	0.3
304.06519	0.2
316.02289	0.3
442.33713	0.2
465.89191	0.2
473.32602	0.2
474.33032	0.6
475.33469	0.6
476.33636	0.5
487.34436	0.4
488.34702	0.9
489.35431	0.2
667.20386	0.2
710.34918	0.3
711.35748	0.3
736.92780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84803	0.1
59.01380	0.9
60.01698	0.1
60.15435	0.1
61.01844	0.1
61.98835	100.0
62.98531	0.2
62.99268	0.1
71.01383	0.2
98.20591	0.3
209.11766	0.1
210.12050	0.2
259.10901	0.1
485.32355	0.1
486.33044	0.5
487.33301	0.6
488.33661	0.7
503.33841	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	711.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98833	100.0
71.01377	3.1
71.14620	1.0
71.60287	1.3
78.95895	1.2
79.95696	1.2
85.02962	1.5
87.00832	1.0
88.98796	2.1
89.02426	1.3
96.96017	4.1
101.02446	2.1
124.33637	0.9
125.02446	2.8
137.02458	0.9
146.75429	0.8
151.03987	1.1
164.04851	1.1
165.09096	0.9
169.01472	1.3
181.05299	1.1
190.02663	1.8
195.06419	1.0
197.11807	7.1
201.11322	4.3
202.55890	1.0
202.80286	1.1
205.05060	2.4
209.11841	17.6
210.12184	1.3
211.13396	19.5
212.13680	1.6
227.12914	4.7
251.16489	1.5
253.09334	2.2
254.54478	1.0
291.07892	1.0
297.97580	1.6
300.99774	2.4
312.99649	1.4
343.04437	2.5
445.20438	1.7
447.22665	4.9
487.34073	2.7
488.34491	3.9
489.35263	9.7
631.33191	3.1
639.34149	1.6
711.34143	9.6
712.33698	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	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68803	0.3
57.10567	0.2
59.01384	34.3
60.01723	0.4
61.98834	3.4
65.13586	0.3
71.01394	0.7
75.00900	0.4
75.79076	0.3
98.19833	0.5
100.84077	0.2
101.02464	0.3
106.56529	0.2
109.06615	0.3
113.02479	0.3
113.95081	0.2
130.28285	0.3
161.31964	0.3
163.11342	0.3
201.11250	0.3
207.10228	1.2
209.11859	1.3
211.13422	2.5
225.11342	1.0
284.79706	0.3
355.34903	0.3
461.20282	0.4
469.33435	0.4
487.34314	100.0
488.34650	16.3
501.35498	0.4
529.35242	0.8
637.32684	0.3
649.39630	0.8
655.33319	0.5
709.31317	0.5
709.42346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53873	0.6
57.03440	0.8
58.00598	0.7
59.01385	5.0
69.94581	3.3
71.01393	4.8
73.02952	0.9
78.95467	1.0
78.95911	15.5
80.96522	1.6
81.03468	0.7
83.05022	2.0
83.11925	0.6
84.78673	0.6
89.02447	4.0
94.98123	0.7
95.04996	0.6
96.96986	1.7
97.06601	2.8
101.02448	2.7
112.11620	0.6
112.81583	0.7
113.02450	1.8
125.02438	1.5
125.09754	0.8
127.11266	1.5
133.10414	0.7
149.09702	0.8
151.11284	12.3
152.99609	21.9
155.10843	0.8
161.04550	0.6
163.11272	1.5
169.12360	78.4
170.12686	5.3
171.00630	3.0
171.10225	0.7
183.10172	0.8
195.10225	2.5
199.09744	0.8
201.11337	22.8
202.11638	1.0
209.11859	28.2
210.12186	1.8
213.11351	9.1
227.03256	2.4
227.12883	2.7
235.08244	1.1
253.09274	2.5
253.21750	4.7
277.21759	18.6
278.22101	2.2
363.12143	1.1
381.13297	2.3
431.19302	2.2
449.20313	6.9
450.20807	0.8
455.16940	5.1
473.17981	24.5
474.18369	2.5
691.38684	4.0
709.41058	100.0
710.41473	23.2
712.86365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67286	0.3
58.00598	0.8
59.01091	0.6
59.01386	9.2
60.99321	1.9
61.98838	17.9
71.01388	2.8
71.38212	0.5
85.02967	0.7
87.00907	0.3
88.98815	0.7
89.02454	3.2
96.96030	0.8
100.26315	0.3
101.02465	1.4
113.02448	1.5
116.92836	0.5
119.03506	1.1
125.02415	0.6
170.79071	0.3
171.10359	0.6
179.05606	0.7
209.11832	5.4
210.12224	0.4
227.12885	1.5
241.66853	0.3
253.09134	0.5
299.99072	1.0
300.99402	0.4
301.03775	0.4
315.01465	1.2
377.28726	0.7
393.31714	1.3
423.32623	1.3
441.33829	0.5
467.33478	1.0
487.34326	100.0
488.34671	17.6
511.33008	0.5
529.35358	0.4
531.09955	0.4
637.32086	0.6
649.38824	0.4
709.31750	1.8
710.33447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23600	0.3
55.36923	0.3
58.34684	0.3
59.01386	18.0
61.98837	39.9
70.42451	0.4
70.42795	1.4
71.01372	1.4
73.02937	0.5
78.95894	0.5
80.96524	0.7
81.03429	0.5
83.01408	0.4
85.02962	0.5
88.98818	1.4
89.02453	0.9
96.96019	4.9
101.02463	1.0
109.06537	0.4
113.02506	0.5
119.03481	0.5
119.05014	0.5
119.23446	0.3
123.04510	0.5
125.02450	0.8
126.54747	0.3
129.55695	0.4
138.02020	0.4
167.03539	2.1
169.01596	0.6
171.10257	0.8
207.10257	1.7
209.11870	3.8
210.12157	0.6
211.13445	1.8
225.11339	1.6
227.12871	1.5
253.09346	0.6
273.07733	2.7
311.22357	1.6
316.21484	0.4
415.14948	0.5
435.13110	0.8
445.20700	0.4
467.33969	0.5
487.34329	100.0
488.34683	19.0
629.88831	0.4
635.30750	0.5
637.32532	1.4
653.31177	0.5
655.33228	0.5
671.34271	0.4
709.20776	0.6
709.30890	1.8
710.33575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.1
59.01384	30.1
60.01720	0.4
61.98835	4.4
69.23533	0.1
71.01385	1.1
85.02990	0.3
89.02463	0.9
96.95972	0.1
101.02459	1.0
113.02441	0.7
119.03514	0.5
161.04588	0.3
204.85394	0.2
209.11739	0.2
221.06564	0.3
229.58977	0.2
359.41772	0.2
379.46912	0.1
409.31219	0.6
410.31180	0.2
421.31146	0.3
485.32693	0.2
487.34286	100.0
488.34650	18.5
497.32684	0.3
501.35876	0.3
522.38989	0.1
529.35309	0.9
530.35370	0.2
649.39691	1.5
650.39886	0.2
709.42767	0.8
738.02563	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43196	0.3
56.11416	0.3
59.01385	31.4
61.98815	0.5
69.36990	2.4
71.01381	0.6
89.02441	0.4
92.67265	0.3
98.20668	0.6
101.02447	0.7
113.02486	0.4
119.03503	0.7
119.63421	0.3
161.04526	0.3
348.69330	0.3
409.31082	0.6
442.05429	0.4
487.34314	100.0
488.34671	17.4
529.35425	0.7
649.39886	1.1
665.42932	0.3
709.41565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3941
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
50.76027	1.1
57.03437	4.1
61.98785	1.2
71.61720	1.6
77.20521	1.0
78.76392	1.1
78.95915	46.5
80.96515	1.7
81.03438	2.6
83.05009	3.5
85.06567	1.7
85.88795	1.1
92.33863	1.0
96.96961	2.8
125.02461	22.8
125.09737	1.5
127.11223	5.1
137.09718	1.3
143.56622	1.4
152.99609	57.7
153.05576	7.0
155.10774	2.4
161.58789	1.1
163.11299	2.5
165.09282	2.1
171.00644	8.4
171.10185	2.1
182.29808	1.4
183.10287	1.4
188.08710	1.2
192.67674	1.2
196.64626	1.2
199.89622	1.2
201.11360	67.1
202.11595	3.0
209.11858	67.6
210.12122	4.3
225.00633	1.8
227.03189	2.8
227.12961	7.4
245.04414	1.3
245.13831	2.5
253.19695	1.2
253.21785	14.8
254.22104	1.6
277.21860	1.7
277.79291	1.3
317.96286	1.2
342.83267	1.3
353.36670	1.3
363.12115	2.4
381.13077	4.2
411.14264	1.7
429.15149	1.5
437.15433	1.5
455.16934	14.0
473.17987	63.7
474.18134	4.3
691.38379	11.4
709.39355	100.0
710.39716	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3934
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
54.25208	1.1
58.00589	0.9
58.83193	1.0
69.74778	6.6
71.01369	1.3
78.95910	41.6
79.95740	1.4
80.96542	2.7
81.03445	1.0
83.05032	5.3
94.98012	1.3
95.10546	1.0
96.96964	3.3
97.06598	1.1
108.40611	1.0
125.02425	4.9
125.06097	1.0
125.09715	1.9
125.34562	1.1
127.11275	4.7
152.99596	57.9
153.05569	2.5
153.99905	1.5
155.10849	1.5
163.11266	3.0
165.09192	1.7
165.12892	2.0
169.12379	5.8
171.00674	7.1
171.10231	1.9
201.11339	57.0
202.11691	3.0
208.32744	1.3
209.11836	65.4
210.12120	4.1
227.03218	4.3
227.12941	7.7
245.04393	1.6
245.13988	1.4
253.21770	12.8
277.21686	1.6
328.86362	1.3
337.10672	1.1
363.11942	2.6
381.13107	3.5
411.14215	2.2
429.15225	1.5
437.15512	2.3
449.20828	1.2
455.16843	13.5
456.16882	1.2
473.17941	55.6
474.18082	4.5
691.38007	8.7
692.38208	1.7
709.39355	100.0
710.39764	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	709.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01395	0.8
61.98792	0.6
63.96233	2.1
70.29190	2.2
71.01385	9.3
73.02953	2.1
75.22172	0.5
78.98586	7.6
79.95741	15.0
80.96521	82.8
81.03490	0.7
85.02956	2.6
87.00868	3.5
94.98091	19.3
96.96004	1.4
97.02956	2.3
101.02438	2.6
106.98077	3.6
122.97578	4.0
125.02431	3.9
126.95514	0.6
127.04063	0.9
134.97581	5.7
136.99127	1.6
148.99124	6.5
152.98653	6.5
161.25095	0.6
164.98619	12.3
171.10272	2.2
206.99677	2.9
225.00749	18.5
241.89278	0.5
255.23285	1.4
453.14539	3.7
454.14935	0.9
537.27423	1.3
709.38373	100.0
710.38708	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	709.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94356	0.6
58.76439	0.5
63.96247	1.2
69.03477	0.7
69.51270	1.4
69.51687	2.7
71.01387	8.1
73.02945	1.7
78.98595	5.5
79.95271	0.9
79.95736	11.4
80.96521	70.4
81.03465	1.0
85.02943	2.3
87.00885	2.9
94.98095	14.4
96.96010	1.6
97.02963	1.6
98.19915	1.2
101.02441	2.0
106.98115	3.3
118.40388	0.6
122.97598	2.8
125.02435	2.9
127.04050	0.9
134.97610	4.0
136.99106	1.1
148.99164	6.4
152.98625	5.3
164.98647	10.5
171.10284	2.2
206.99724	2.3
225.00743	16.6
255.23267	1.6
281.24951	0.8
336.49524	0.6
349.42270	0.6
453.14255	2.8
501.51294	0.6
537.27423	1.2
609.89813	0.6
709.38385	100.0
710.38672	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	709.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95283	3.8
59.01395	23.4
61.98834	19.3
71.01395	6.3
71.61384	6.4
78.95905	12.1
78.98596	4.8
80.96512	13.7
84.61021	4.2
85.19241	4.4
87.00914	4.8
103.10483	4.5
109.06602	9.0
117.71037	4.8
125.02454	10.0
152.99567	5.5
164.44936	3.8
171.10228	4.5
173.69884	4.1
180.87233	4.2
183.13969	9.0
197.11816	11.7
199.09822	28.0
207.10286	11.1
209.11855	7.7
211.13405	100.0
212.13872	5.9
225.11247	7.5
235.08257	4.9
253.09317	7.4
291.19550	4.8
327.03943	5.5
335.08688	4.3
447.22617	7.0
485.25345	5.0
593.29504	7.5
629.31824	5.0
637.32629	11.3
709.34900	37.7
710.34967	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62706	4.7
50.84195	4.5
59.01394	36.0
61.98852	11.0
69.49201	41.7
71.01384	17.9
78.95916	7.6
85.10543	5.0
87.00899	5.7
89.02441	7.0
98.20648	9.6
101.02444	5.9
115.29616	4.7
125.02413	9.1
161.04628	7.3
171.10368	9.5
174.02550	5.0
183.13895	41.2
197.11867	31.7
199.09778	27.9
207.10243	12.2
209.11780	24.4
211.13373	100.0
225.11272	8.8
227.12906	12.1
235.08270	9.1
253.09294	21.9
293.21140	20.8
383.22412	8.5
417.36444	5.7
447.22217	14.3
463.21820	8.0
541.52637	5.5
611.30353	9.9
624.09296	5.9
629.31372	6.7
655.33014	11.4
673.33856	8.8
709.33887	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	709.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33866	1.0
53.10496	1.2
56.15936	1.1
59.01387	13.2
59.95147	1.1
61.98830	14.0
71.01386	15.5
72.43581	1.2
73.02951	2.2
75.00901	2.3
78.95893	2.2
81.03436	2.6
83.01421	1.4
83.05031	2.4
85.02935	2.4
87.00879	2.4
89.02459	8.3
95.01342	1.3
97.02951	4.8
99.00883	1.7
101.02442	7.9
109.06602	19.8
113.02440	4.1
113.09700	1.5
118.14071	1.0
119.03485	3.4
121.06686	1.5
122.09833	1.3
125.02462	1.5
125.09703	1.7
135.08159	1.9
142.02734	2.2
160.77141	1.5
161.04594	2.8
161.09715	1.3
163.11305	13.1
171.10268	1.2
181.12392	3.1
183.13905	19.3
185.11862	1.9
193.12312	2.6
199.09753	3.1
207.10277	63.7
208.10609	4.4
209.11842	13.0
211.13397	100.0
212.13727	5.4
225.11302	30.5
226.11652	2.0
227.12907	3.5
229.14305	1.6
229.57233	1.4
235.08212	4.9
253.09276	12.0
293.21228	4.2
357.24295	1.4
373.23773	4.3
375.25735	1.7
383.22235	4.0
391.24921	3.6
401.23401	7.4
419.24438	6.4
443.19278	2.4
461.20288	11.7
462.20709	2.4
487.34061	4.2
609.32867	2.6
637.32062	10.3
638.32208	1.7
655.33246	14.6
656.34052	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	709.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89444	1.4
59.01388	13.4
61.98833	88.2
69.43856	9.2
69.44277	2.9
71.01391	16.7
73.02979	3.0
75.76090	1.4
78.95918	5.2
79.42641	1.3
81.03478	2.0
83.05021	2.9
85.02960	2.3
88.98851	2.4
89.02425	4.8
97.02953	4.2
98.20661	2.9
99.00903	1.7
99.27186	1.7
101.02429	8.2
109.06598	20.9
113.02449	3.7
119.03507	2.1
125.02477	2.0
135.08159	2.0
142.02774	2.0
143.80898	1.8
161.04576	3.6
163.11276	15.0
171.10304	2.8
181.12343	5.2
183.13983	9.1
185.11800	3.1
189.09070	2.5
199.09726	3.0
207.10266	65.9
208.10641	3.4
209.11891	11.1
211.13402	100.0
212.13751	4.8
225.11313	37.8
227.12782	3.5
235.08235	5.8
253.09370	11.7
274.81870	1.7
281.62115	1.8
299.15338	1.9
373.23712	2.8
375.21378	2.3
383.22122	1.7
391.24731	3.9
401.23276	6.3
419.24606	3.2
429.88449	1.7
443.19363	2.9
461.20233	16.7
487.34183	6.5
508.41757	1.7
637.32245	6.0
655.33337	13.1
656.33972	5.1
709.33093	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	708.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
60.93534	0.2
61.98835	100.0
71.01392	2.5
72.01723	0.2
72.99335	0.2
85.02970	0.2
87.00891	0.2
88.57597	0.1
89.02445	0.4
96.37044	0.1
96.96030	0.6
98.19739	0.3
99.00844	0.2
101.02472	0.5
103.72613	0.1
113.02435	0.4
116.05794	0.2
119.03520	0.2
121.86664	0.2
123.04533	0.2
124.87685	0.1
125.02464	0.6
132.10991	0.1
137.02499	0.2
151.00374	0.4
152.04854	0.2
169.01460	0.5
171.10275	1.8
172.10660	0.8
175.02748	0.2
176.03552	0.8
199.09760	0.2
201.11349	0.9
202.11746	0.3
207.10315	0.2
209.11874	1.8
210.12138	0.9
225.01187	0.2
225.11305	0.3
227.12947	0.3
228.13202	0.2
253.09392	0.4
271.02487	0.4
275.01788	0.3
299.99240	0.5
300.02600	0.4
300.99948	0.4
301.03491	0.3
383.14914	0.2
463.09283	0.3
472.31503	0.2
474.32132	0.2
546.19659	0.2
614.45667	0.2
645.33331	0.3
671.33539	0.2
672.34070	0.2
673.34906	0.2
708.35901	0.5
709.20111	0.5
733.64960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.3
60.99294	2.1
61.98831	71.9
69.35527	17.1
71.01382	10.3
72.99323	3.0
73.02963	2.0
78.95924	2.6
79.95763	2.4
80.96509	14.9
82.96109	8.1
83.01381	2.7
83.05006	2.0
85.02972	2.9
88.98799	5.2
89.02460	6.2
94.98098	4.1
96.20195	1.7
96.96014	14.9
98.19900	3.1
101.02427	3.7
113.02468	4.2
116.92881	2.3
123.00838	1.9
123.04525	3.0
125.02473	8.0
164.98636	2.1
167.03481	5.2
169.01495	2.2
171.10228	10.3
179.05563	2.7
183.13922	1.8
197.11763	2.0
207.10155	2.1
209.11829	97.3
210.12177	5.2
211.45905	2.0
213.14986	20.0
214.15196	2.2
220.70856	1.8
225.00702	3.1
227.12862	30.5
235.08382	3.4
253.09286	6.3
273.07639	5.9
298.84189	2.2
311.22049	3.4
393.31668	3.9
439.55167	1.9
445.20804	6.7
463.21695	2.8
487.34299	100.0
488.34720	10.5
623.94458	2.0
637.32159	6.0
655.33490	5.0
709.30707	45.9
710.32263	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	707.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
57.72929	0.4
57.76886	0.5
59.01382	36.1
60.99300	0.4
61.98526	1.0
61.98834	18.8
69.25486	4.4
71.01386	6.8
72.99312	0.5
73.02942	1.9
75.88389	0.4
80.35755	0.5
80.96549	0.4
81.03477	0.8
83.05002	0.9
84.02202	0.5
85.02930	0.9
88.98817	1.0
89.02438	1.5
96.96014	1.4
97.06567	0.5
98.19805	0.6
101.02437	1.7
109.06607	1.1
111.19785	0.4
113.02421	0.7
119.03505	0.6
125.02427	0.9
142.00050	0.4
151.00322	0.6
163.11275	0.8
165.05603	0.6
165.12926	0.5
169.01366	0.6
171.10257	5.0
181.12328	0.5
191.14545	0.5
197.11765	0.5
201.11302	2.8
207.10243	1.8
209.11816	9.9
210.12170	0.8
221.40904	0.4
225.11269	1.6
227.12901	1.8
253.09265	1.3
271.04160	0.4
321.20642	0.9
363.27151	0.7
377.28641	0.6
379.30127	2.0
391.30133	2.0
393.31781	0.9
401.28824	0.6
407.29523	0.9
409.25760	0.6
409.31155	16.0
410.31396	1.9
421.31158	4.0
439.32184	23.0
440.32388	3.2
441.33798	2.2
442.33813	0.5
443.19019	0.6
455.31662	1.3
456.32788	0.6
473.32715	100.0
474.33054	16.2
485.32773	2.5
491.33942	0.6
517.31732	8.5
518.31982	1.6
647.37683	0.9
675.31628	0.6
679.90546	0.5
707.34839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99008	0.3
59.01097	0.6
59.01384	10.8
61.98835	15.4
71.01380	1.9
71.59750	0.3
73.02929	0.4
75.00874	0.3
78.95908	2.6
79.95734	0.3
80.96524	1.0
85.02979	0.5
88.98814	0.8
89.02466	0.8
96.96007	0.5
97.02930	0.3
99.00856	0.4
101.02455	0.9
113.02514	0.4
119.03481	0.5
125.02472	0.5
125.09772	0.3
131.97118	0.3
150.96579	0.4
152.99597	1.2
171.10254	0.7
191.96654	0.3
196.52541	0.3
197.11812	0.7
199.13425	0.8
207.10248	0.7
209.11870	2.0
210.12128	0.4
211.13423	0.7
225.00668	0.4
225.11290	0.7
291.19711	1.4
333.01935	0.3
350.50302	0.3
397.57684	0.3
415.14548	0.4
485.32742	100.0
486.33078	16.3
527.34137	0.4
576.01117	0.3
647.38495	0.7
707.28186	0.4
707.38300	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	707.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01488	0.4
58.53319	0.4
59.01384	26.3
61.60829	0.4
61.98524	0.7
61.98837	12.9
63.40055	0.4
67.02869	0.5
71.01392	5.1
72.99306	1.2
73.02950	0.7
74.99902	0.4
85.02972	0.6
89.02439	1.4
96.93324	0.5
96.96019	0.6
101.02438	1.3
109.06601	0.6
113.02444	1.2
119.03502	1.4
135.13573	0.4
142.22710	0.4
147.85280	0.5
161.04506	0.8
163.11336	0.5
171.10287	3.0
201.11365	2.1
207.10228	1.0
209.11830	4.8
216.64859	0.4
225.11386	1.0
229.31494	0.5
253.09421	0.7
360.29990	0.4
407.29434	0.8
471.31323	0.6
485.32755	100.0
486.33044	16.4
647.38019	0.8
707.35687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
66.70847	2.1
71.01391	2.2
71.97455	2.2
78.95906	85.8
80.02663	2.4
80.96539	4.4
81.03469	2.5
83.05018	3.6
85.39719	2.2
96.96051	3.5
96.96975	5.0
97.02972	6.2
100.34697	2.4
109.06593	33.4
121.06676	3.0
124.01588	2.2
135.08151	3.7
150.98024	2.9
151.43393	2.2
152.99597	100.0
153.99899	2.8
163.11313	15.0
171.00652	14.9
171.10263	3.4
181.12285	7.2
189.09265	2.6
197.11847	5.2
199.09883	2.6
207.10260	56.5
209.02274	7.2
211.13426	12.6
213.01683	2.4
223.05096	3.2
225.11339	52.0
226.11597	2.9
227.03294	8.8
245.04335	3.5
253.21747	22.8
277.21710	8.8
321.20972	3.0
353.13947	2.8
361.10400	11.6
379.11786	3.4
435.14188	4.8
453.15298	98.7
454.15695	6.9
471.16415	5.1
689.36725	11.0
707.36823	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	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08517	1.0
57.03429	1.3
57.46951	1.2
59.01382	40.9
61.98834	100.0
62.88887	1.1
69.40473	10.2
71.01385	45.5
72.99313	1.6
73.02957	1.8
75.00833	1.3
81.03425	1.2
83.05047	3.3
85.02958	3.2
87.00895	2.0
89.02463	6.1
95.05060	1.9
96.96039	2.3
101.02458	6.4
109.06572	3.4
113.02452	2.4
119.03527	2.1
123.04436	1.3
125.02455	2.6
125.09732	1.6
127.11284	1.7
151.07727	1.1
161.04585	2.8
163.11304	6.0
165.12871	2.2
169.01436	1.4
169.24728	1.1
171.10277	39.1
177.39543	1.1
179.10614	1.0
181.12454	1.8
185.11736	1.4
199.09801	3.9
201.11343	23.5
207.10315	9.8
209.11830	65.0
210.12192	4.8
225.11356	15.4
227.12892	9.1
235.08232	2.0
243.12372	1.8
253.09283	7.3
271.88535	1.6
300.99884	1.3
369.95779	1.2
374.25818	1.5
382.80133	1.3
461.20279	2.4
479.20453	1.2
485.32724	79.8
486.33047	14.2
671.33545	2.2
689.34119	1.7
707.34406	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	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14405	0.7
50.45527	0.7
57.03451	1.2
57.33568	0.7
58.46618	0.7
58.59555	0.8
59.01385	58.3
61.98836	89.2
71.01391	69.6
72.01723	1.1
72.99312	2.3
73.02951	2.4
73.44186	0.7
81.03470	2.0
83.01408	1.7
83.05041	7.6
84.02200	1.4
85.02959	3.0
87.00893	2.6
89.02449	5.9
93.03512	1.1
95.05049	1.3
96.96021	1.8
97.02939	2.6
97.06590	1.6
98.20654	1.6
99.00875	1.4
101.02472	7.2
103.73116	0.8
109.06589	5.2
111.00917	0.8
111.08150	0.9
113.02474	4.2
119.03497	2.9
122.00220	1.0
123.00909	1.9
123.04516	1.6
125.02451	2.6
125.09735	2.8
127.11292	3.8
135.08116	1.6
138.41606	0.8
141.24928	0.8
143.03488	0.8
153.09337	1.3
155.10754	2.0
161.04561	2.7
163.11317	7.5
165.09154	1.3
165.12854	2.6
169.01456	1.5
171.10286	60.8
172.10591	3.3
178.26596	0.8
179.10785	1.0
179.27287	0.8
181.12340	3.6
185.11908	1.4
191.10786	1.2
199.09782	6.5
199.13406	1.6
201.11331	34.8
202.11667	1.3
207.10272	14.2
209.11844	100.0
210.12169	6.9
225.11334	19.6
226.11703	1.2
227.12900	12.0
228.13219	1.5
235.08310	5.2
243.12361	1.7
253.09314	13.7
291.42477	0.9
397.13403	1.0
399.21429	0.9
461.20407	4.9
462.20621	0.9
479.21579	1.3
485.32745	93.5
486.33127	15.8
527.33936	1.8
647.38153	1.1
653.31598	2.0
671.33533	2.6
689.33740	2.5
707.35040	11.2
708.35809	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	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90011	1.2
55.09715	1.2
57.03438	1.4
59.01095	2.9
59.01384	51.5
61.98833	50.7
70.62804	1.6
71.01385	35.0
73.02956	3.5
81.03467	1.7
83.05030	2.4
85.02953	2.0
85.06588	3.0
87.00911	3.0
88.98803	2.6
89.02451	4.3
92.15283	1.2
96.96011	4.3
99.00876	2.2
101.02448	5.7
109.06588	1.9
113.02460	3.8
127.11280	2.0
135.05385	1.3
135.08064	1.5
148.05577	1.2
149.06181	1.4
154.59105	1.3
161.04666	1.9
163.11259	5.2
165.12892	2.2
169.01357	1.5
171.10272	35.4
172.10590	2.0
181.12407	1.6
185.11760	7.2
199.09734	4.6
201.11342	18.1
207.10205	8.9
209.11829	68.7
210.12164	4.4
225.11343	12.3
227.12875	7.4
235.08247	2.3
243.12042	1.7
253.09242	12.0
300.03098	1.6
379.30109	1.6
391.30219	2.3
398.09811	1.5
409.30988	11.9
421.31143	5.2
437.29044	1.6
439.32083	21.0
440.32330	2.6
441.34073	1.7
455.30960	1.4
473.32721	100.0
474.33032	15.8
485.32788	52.6
486.33118	6.5
517.31757	9.5
653.31677	1.8
671.33160	1.5
675.32306	8.3
689.33453	1.8
707.35315	9.2
708.33997	2.2
729.98608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.9
61.98834	100.0
69.04128	1.0
71.01387	60.2
72.01694	1.4
72.99316	7.7
73.02946	3.3
81.03458	2.3
83.05022	5.1
85.02951	3.4
87.00875	3.9
88.22386	1.0
88.98824	1.7
89.02444	6.7
95.01373	1.9
95.05009	1.8
96.95999	4.6
97.02943	1.9
101.02460	6.4
106.93292	1.3
109.06593	5.1
113.02428	1.6
117.05515	1.2
119.03439	1.2
123.04520	2.9
125.02448	3.8
125.09715	3.0
127.11292	2.5
127.69909	1.1
130.11473	1.2
135.08096	2.0
137.09593	1.2
143.03546	1.4
147.47360	1.2
153.05542	2.3
155.10747	2.3
161.04514	2.4
163.11301	7.9
165.05540	1.9
165.12804	1.7
169.01408	5.6
171.10280	55.1
172.10599	4.6
176.03526	3.1
179.07166	1.2
181.12311	3.9
185.11737	3.1
199.09740	6.4
199.13419	2.2
201.11330	34.4
201.13182	2.0
202.11618	2.5
207.10287	11.8
208.10684	1.3
209.11838	84.9
210.12206	7.4
211.02504	2.5
225.11311	19.0
226.11736	1.8
227.12840	9.3
228.13159	1.4
235.08197	4.7
243.12329	2.3
245.16457	1.1
253.09331	10.3
399.21536	1.3
461.20319	2.9
483.07764	2.9
485.32886	1.5
619.40796	2.0
645.17798	2.7
645.39160	1.8
653.31091	1.5
671.33539	2.3
689.33746	3.9
707.23859	2.3
707.35388	11.9
708.35907	2.3
731.44525	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	707.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74730	1.2
52.67965	1.4
59.01383	15.5
61.98835	100.0
70.57495	1.2
71.01398	8.9
71.12058	1.6
72.99313	2.0
80.96523	5.2
83.05008	2.1
85.02936	2.6
87.00880	2.1
88.98820	9.1
89.02466	3.9
96.76617	1.3
96.96009	4.2
98.19923	3.8
101.02451	4.8
103.03953	1.2
109.06604	1.9
113.02448	2.8
125.02457	3.2
163.11270	2.9
169.01485	3.3
171.10268	3.2
183.14008	1.5
190.76108	1.4
197.11894	2.0
201.11371	1.7
207.10263	8.7
209.11873	32.8
210.12222	3.7
211.13460	3.7
225.00903	1.6
225.11301	16.3
227.12904	9.3
228.13280	2.7
253.09265	2.5
300.99820	1.8
309.20776	1.7
407.28064	2.9
461.20346	6.5
485.32684	34.5
486.33325	4.9
644.37549	3.0
647.38184	3.9
653.32104	5.6
671.32538	8.5
672.33734	2.1
689.33490	1.6
707.29810	23.0
708.30975	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	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.2
57.03455	1.5
59.01382	15.8
59.29511	1.1
61.98834	73.5
69.43021	8.2
71.01387	62.8
71.05009	1.1
72.99300	7.0
73.02951	5.4
80.02707	1.7
81.03477	1.4
83.01407	1.7
83.05017	5.9
84.02179	1.4
85.02967	4.4
86.35632	1.0
87.00883	2.4
88.98819	1.3
89.02448	6.7
95.05029	1.4
96.96026	2.8
97.02970	2.8
97.06651	2.2
98.19830	2.2
99.00896	1.8
101.02450	6.7
101.80978	1.0
103.76635	1.1
109.06594	5.7
113.02455	4.7
123.04562	3.0
125.02451	3.5
125.06083	1.6
125.09731	4.1
127.11301	3.9
135.08202	1.7
137.02411	1.2
137.09753	1.6
139.11261	1.2
143.03516	1.5
153.05673	1.2
155.10744	2.5
161.04529	4.0
163.11287	7.2
164.93219	1.2
165.12891	2.5
169.01422	3.1
171.10278	61.4
172.10646	1.9
176.03563	2.4
181.12346	4.0
185.11874	1.7
191.10745	1.2
199.09752	8.1
201.11333	39.7
201.13199	2.0
202.11697	2.3
207.10272	13.3
209.11836	100.0
210.12186	6.4
225.11340	20.2
227.12946	12.5
235.08148	2.6
243.12503	2.8
253.09341	15.9
300.99875	1.8
435.18784	1.4
437.20172	1.2
443.18927	1.7
461.20218	3.0
465.23856	1.4
483.07892	1.5
485.32788	2.6
619.40845	1.7
671.33368	1.4
689.33533	1.4
707.35065	13.3
708.35065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19230	2.1
59.01383	14.1
69.22943	1.5
71.01403	3.0
71.60394	3.2
72.55341	1.6
79.95739	9.2
80.96523	4.0
85.02962	2.2
89.02469	3.1
89.63136	1.6
96.95981	2.6
97.01031	1.7
103.04011	4.0
107.05020	1.7
109.02930	4.2
121.02959	2.0
123.00840	2.6
123.04500	1.9
123.50663	1.7
125.02461	11.8
137.02454	5.2
145.03009	1.6
149.06079	21.1
150.06421	2.7
151.04025	2.5
161.02460	2.4
165.01775	1.8
169.01456	7.4
171.39124	1.7
173.02477	2.0
174.03021	2.1
175.04024	2.2
198.63513	1.6
203.03400	3.3
209.08197	8.6
211.02409	7.1
227.03798	4.7
229.01779	12.5
231.02904	2.9
245.00943	3.2
249.04083	4.6
257.00946	2.7
258.11841	1.6
261.00543	2.3
265.09241	10.3
271.04590	12.8
273.00424	2.8
275.01984	10.4
283.02417	1.7
289.03922	100.0
289.07138	12.6
290.04294	8.4
299.99109	2.1
300.99872	26.3
302.00330	3.8
359.10361	1.7
417.10303	33.5
418.10956	2.1
457.02396	6.1
457.52704	4.8
477.68893	1.8
493.00223	2.3
624.85083	1.8
707.20276	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	707.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18636	1.0
54.73509	1.0
59.01391	5.9
60.99297	3.1
61.98838	48.9
63.96256	1.7
69.03445	1.2
71.01389	13.5
71.61029	1.4
72.99316	1.4
73.02934	2.4
78.95898	2.1
78.98592	5.8
79.95740	13.1
80.96523	84.6
81.03432	1.0
83.01398	1.0
83.05019	1.2
84.68330	1.0
85.02954	2.9
87.00861	3.4
88.67580	0.9
88.98808	14.9
89.02429	1.9
89.61320	1.1
94.98098	15.5
95.01385	1.4
96.96019	11.6
96.96939	1.1
97.02931	1.5
98.95605	2.3
99.04519	1.3
101.02442	4.7
106.98085	2.7
113.02415	2.5
122.97575	2.8
125.02447	6.4
134.97563	6.4
136.35536	1.1
136.99104	1.5
148.99115	6.6
152.98621	6.3
163.11378	1.0
164.98650	13.6
165.05568	2.8
169.12381	1.2
171.10222	2.5
183.13867	2.7
185.11879	2.2
195.13806	1.7
197.11790	3.1
201.11244	1.6
206.99664	3.7
207.10202	2.8
209.11833	12.5
210.12112	2.8
211.13376	4.0
213.14995	4.0
224.98624	1.8
225.00751	22.1
227.12885	2.6
253.08917	1.4
479.15955	1.5
485.32794	10.1
500.05011	1.3
509.16632	2.0
671.33527	1.7
707.29510	100.0
708.29993	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	705.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.00595	1.0
59.01383	71.7
60.01708	0.7
61.98836	20.2
69.42020	4.9
71.01395	6.8
72.01749	0.6
72.99307	3.9
73.02941	2.1
83.01411	0.7
83.05026	0.9
85.02955	2.4
87.00870	4.2
88.98808	1.0
89.02452	3.9
96.96024	4.5
97.04225	0.6
101.02451	5.3
104.17271	0.6
106.88960	0.6
109.06580	0.8
113.02443	2.8
119.03492	3.3
123.08213	0.7
125.02492	1.4
139.07689	1.0
161.04587	1.7
165.05534	0.7
169.12306	0.8
171.10226	3.5
172.34235	0.6
175.02689	2.1
176.03566	4.5
197.11868	3.2
201.11348	2.5
209.11823	11.5
210.12161	1.0
225.11324	2.1
227.12914	2.4
253.09431	0.8
255.02954	0.9
256.58075	0.7
291.55661	0.7
299.99036	1.6
300.02603	1.6
301.03372	0.9
338.08615	0.9
361.25146	0.7
377.28510	1.6
379.30127	0.7
387.25412	1.7
389.28702	1.4
401.27225	0.9
407.29559	11.0
408.29773	2.3
419.29471	4.5
435.29379	1.0
437.30722	23.6
438.31381	4.3
439.32318	2.1
453.30173	7.9
454.30252	1.2
465.30682	1.4
471.31171	100.0
472.31516	16.0
483.31155	11.2
484.31540	1.7
503.30032	1.9
515.30176	3.8
525.32452	1.7
544.18188	1.4
580.46844	0.7
617.39343	2.3
627.37396	2.0
645.37085	1.6
661.37830	1.4
687.32422	2.4
705.34308	2.6
706.37054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03847	0.1
51.36810	0.1
61.98837	100.0
62.98547	0.1
63.05193	0.1
66.02100	0.1
71.01422	0.1
76.26492	0.1
76.66125	0.1
78.33472	0.1
82.06377	0.1
83.38928	0.1
151.31546	0.1
181.38737	0.1
183.13922	0.3
197.11919	0.1
209.11897	0.4
301.71848	0.1
425.14490	0.1
502.82864	0.1
564.29041	0.1
674.34808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65559	0.8
56.62632	0.6
59.01398	1.6
61.98835	3.5
70.38572	0.6
71.01371	2.1
72.99320	1.1
76.60542	0.6
80.02663	1.3
81.03473	1.0
83.05022	3.0
84.02203	1.0
89.02427	0.8
101.02457	1.6
113.02461	0.8
161.04541	1.1
163.11258	2.2
165.12912	1.7
171.10233	0.9
172.68433	0.9
181.37131	0.7
186.32678	0.7
203.00743	0.7
209.11844	100.0
210.12175	7.4
225.11305	0.8
227.12901	15.4
235.08214	2.3
253.09245	5.4
342.36508	0.8
445.20908	2.0
534.42236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49194	0.5
55.75443	0.4
59.01386	8.3
61.98834	19.6
69.03461	0.6
71.01386	10.1
71.59705	0.6
71.60115	0.6
72.99272	0.4
73.02938	0.7
78.95892	2.2
80.96522	1.1
81.03467	0.6
83.05042	1.1
85.02956	1.1
87.00892	0.7
89.02447	2.1
96.96950	0.5
97.02931	1.2
99.00871	0.8
101.02431	2.8
109.06584	2.0
113.02442	1.1
113.30073	0.5
119.03507	0.5
125.02415	0.8
125.09722	0.8
152.99593	0.9
153.12820	1.0
161.04570	1.1
163.11269	1.4
169.12337	7.5
171.10242	1.8
179.05566	0.6
179.10739	1.0
181.12340	1.1
183.13885	0.8
185.11852	0.7
197.11835	100.0
198.12140	4.9
199.13417	1.0
201.11258	1.1
207.10242	5.1
209.11853	5.1
211.13412	10.8
212.13734	1.6
225.11330	4.8
227.12943	1.4
235.08165	2.8
241.30934	0.6
243.12393	0.6
253.09283	4.4
273.17017	1.7
274.17407	1.2
300.99756	0.7
389.09415	0.5
415.19836	2.3
419.24335	0.6
433.20801	9.8
434.21219	0.9
461.20398	1.4
483.30978	1.9
566.70703	0.6
595.31213	1.8
613.32440	1.1
655.33453	0.9
673.34338	2.3
705.38214	2.6
706.36761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.0
57.03458	6.2
58.00600	3.5
59.01384	47.0
61.98833	43.4
65.80997	1.7
67.01898	1.9
69.03490	2.4
71.01389	37.2
71.01768	2.6
71.38757	3.7
72.99301	9.6
73.02589	1.4
73.02954	9.6
75.00883	6.2
75.51929	1.7
76.69053	1.7
83.01409	6.2
83.05042	3.5
85.02962	20.0
87.00882	100.0
87.04493	2.1
87.51608	1.7
88.98817	2.5
89.02458	25.2
93.03474	5.1
95.01428	4.6
96.96040	7.6
97.06666	1.6
99.00908	6.0
99.04501	2.6
101.02441	31.1
101.06103	4.5
103.04045	2.1
107.01436	3.0
109.02967	3.5
110.99826	1.7
111.00863	2.7
111.04499	1.9
113.02479	17.0
113.06127	4.7
116.92834	2.2
118.60845	1.6
119.03511	8.5
119.05015	3.1
123.04516	2.0
123.08231	4.1
123.52100	1.6
125.02455	17.4
125.06157	3.2
125.09746	2.8
129.09277	2.0
135.04585	6.0
137.02516	2.7
137.09761	2.1
143.03488	1.6
149.02443	2.6
151.00429	7.8
151.04045	2.6
155.10751	1.7
161.02489	2.4
161.04628	3.9
161.09802	2.3
161.17953	1.8
163.04016	3.9
163.11311	3.6
165.01974	2.0
165.12859	3.6
169.01465	4.6
169.12442	2.2
173.11824	2.1
175.02750	3.5
176.03539	14.5
176.95091	1.6
177.01993	3.0
179.05653	4.5
179.10754	2.3
191.04158	1.7
191.05586	8.1
191.14424	1.5
197.11826	8.9
201.11345	12.0
207.13976	3.8
209.11852	22.9
209.15485	3.9
215.16556	1.8
225.11273	1.7
227.12804	2.1
230.65211	1.7
245.17548	12.0
265.09494	3.2
287.05844	2.2
289.07324	4.2
299.99048	3.0
303.08585	1.7
338.08820	3.6
455.33905	39.0
455.39804	2.8
456.34555	4.7
499.15085	2.5
505.34665	1.9
544.18555	2.9
567.93396	1.8
598.94861	1.8
617.39105	58.6
618.39417	11.2
623.10754	1.7
643.37616	7.2
661.38354	47.1
662.28748	2.3
662.38525	9.9
667.39221	22.9
668.39685	3.6
669.40717	17.5
670.41260	2.9
687.32318	17.9
687.42590	1.7
688.33661	2.7
705.11267	4.6
705.37164	80.8
706.24292	3.7
706.37256	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	705.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64918	2.5
59.01396	3.6
61.98835	100.0
62.68604	2.4
66.49068	2.3
67.85728	2.2
71.01395	30.7
73.15449	2.2
78.95871	2.3
81.16135	2.5
81.99413	2.4
83.05035	3.6
89.02489	2.7
101.02451	2.6
109.06613	3.7
115.98003	2.4
161.04517	4.3
163.11273	3.4
171.10324	4.0
197.11835	7.6
206.62895	2.5
207.10248	8.3
209.11824	51.7
211.13364	19.1
223.13406	60.6
224.13643	3.4
225.11334	9.5
227.12880	16.8
229.53613	3.0
253.09244	10.3
313.78290	2.6
419.23288	3.0
445.20712	3.4
459.22290	14.6
461.20135	3.3
563.03510	2.7
651.33893	5.1
673.34186	3.7
705.32819	24.3
706.32977	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	705.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03436	3.4
58.00584	2.9
59.01381	22.0
61.98571	1.7
61.98839	19.8
69.03457	6.4
69.37434	10.8
71.01377	17.5
71.05021	3.3
72.99322	6.6
73.02937	3.5
79.16080	1.4
81.03433	1.5
83.01367	3.2
83.05009	5.6
85.02951	4.2
87.00888	16.6
88.98776	1.4
89.02441	13.5
93.03470	1.6
95.04985	2.4
96.96021	6.3
101.02439	12.7
113.02431	4.8
113.08150	1.4
114.15547	1.2
119.03494	2.6
123.08119	4.2
125.02423	4.9
125.09692	5.1
127.11244	4.3
130.52954	1.3
139.11220	2.5
149.09683	1.9
150.03152	4.1
151.11284	3.8
153.12811	3.0
154.64362	1.3
155.10709	1.8
161.04578	2.4
161.09692	6.8
163.11227	3.6
165.05521	4.3
169.01414	2.3
171.10216	4.7
175.02850	1.5
176.03548	10.1
179.05571	2.1
179.10748	12.7
181.12418	1.6
183.10175	4.5
195.06613	1.8
197.11829	100.0
198.12093	4.2
199.79213	1.5
201.11334	51.6
202.11797	3.1
205.08716	1.7
209.11824	61.1
210.12076	2.8
223.09804	1.9
225.11230	3.0
227.12822	5.5
241.10728	5.6
253.09245	7.1
273.46957	1.2
384.98038	1.7
455.33527	3.9
459.18781	1.7
477.19510	2.6
491.18823	2.5
505.35364	6.6
544.17944	3.7
617.39221	9.5
618.38519	1.6
627.37238	3.3
645.38025	1.6
661.30267	28.9
662.30682	4.6
687.32294	88.3
688.32727	16.1
705.33557	73.2
706.33484	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	704.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39494	0.1
54.43748	0.1
59.01378	0.2
61.98838	100.0
71.01397	0.3
78.95925	0.4
98.89284	0.1
101.02509	0.1
111.22972	0.1
112.36674	0.1
126.92320	0.1
150.66357	0.1
152.99603	0.1
195.33113	0.1
207.10262	0.2
209.11848	0.4
211.13403	1.3
212.13728	1.0
213.14079	0.4
227.12978	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	705.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
61.98833	100.0
69.03430	1.3
70.69070	1.8
70.69446	1.8
71.01380	14.0
73.02962	1.2
78.95922	3.2
80.96516	5.6
83.05020	1.1
85.02964	2.0
87.00877	2.5
88.98815	0.9
89.02463	2.7
94.98122	1.4
96.96030	2.8
97.02968	1.7
101.01828	1.0
101.02462	3.3
104.22976	1.0
109.06593	6.4
109.59411	0.9
113.02479	1.8
116.92822	1.2
125.02425	2.3
135.08220	1.6
141.70599	0.9
142.02728	1.0
148.99118	1.0
152.99641	1.2
163.11288	3.9
165.05736	1.0
169.12302	1.6
171.10277	6.2
172.68324	0.8
179.03368	0.9
181.12288	1.7
197.11813	10.3
199.13390	1.8
201.11333	2.0
207.10275	14.5
208.10625	1.6
209.11856	10.4
210.12173	2.1
211.13440	7.9
223.09756	1.2
225.00670	1.9
225.11284	11.6
227.12932	2.6
235.08279	1.4
243.12297	1.7
253.09227	4.5
296.19025	0.9
299.15085	1.0
301.00015	1.9
387.20572	1.1
415.21124	2.5
433.21600	1.9
461.20352	2.8
483.31259	4.2
563.74646	0.9
607.27582	1.8
625.28186	4.6
633.29199	3.1
634.29694	1.3
645.37170	1.0
651.30206	13.2
652.30353	2.7
669.31104	9.1
673.33636	1.5
705.29694	7.7
706.30676	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	703.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03456	4.0
58.00605	2.1
58.58838	0.9
58.71828	1.1
59.01388	42.4
61.98838	13.8
69.03452	2.5
71.01392	47.7
71.05046	1.4
71.61369	1.3
72.99323	4.7
73.02957	13.6
74.99097	1.1
75.00893	1.2
83.01384	8.1
85.02959	21.7
87.00884	51.6
89.02459	19.4
95.01411	5.7
95.05058	1.7
96.96018	3.0
97.02952	2.9
97.06587	1.2
99.00910	6.5
99.04508	1.3
101.02458	39.4
106.18163	1.1
108.02161	1.0
109.02962	2.8
111.00883	1.9
111.42909	1.1
113.02472	21.9
113.06098	3.3
115.07661	1.4
116.92898	3.0
119.03555	6.7
119.05000	1.3
122.03747	1.1
123.00919	2.0
123.04568	1.8
123.08157	2.9
125.02457	16.0
125.06093	3.4
125.09795	1.3
129.02013	1.2
134.62746	1.0
135.04575	1.7
136.99127	1.3
137.02454	4.3
138.06822	1.9
139.04044	2.5
139.07672	1.6
143.03520	1.5
145.02913	2.0
149.02441	2.0
151.00325	2.2
151.04015	3.3
151.07635	4.0
159.02988	3.6
161.04567	9.6
165.01930	11.7
165.05585	2.5
166.02475	1.5
167.07065	1.2
168.00604	1.4
169.01436	4.5
171.10292	1.4
177.01949	1.5
179.03500	3.4
179.05589	2.1
180.04312	7.3
181.05034	3.4
187.13457	2.0
195.06635	11.1
197.11661	1.3
209.11842	2.3
225.07726	7.5
273.81018	1.2
287.09396	1.2
297.11240	1.8
300.99817	2.0
303.05252	1.4
335.82236	1.2
345.13507	1.2
353.27094	1.1
377.27209	1.5
395.28122	16.3
421.25864	1.3
503.34048	1.3
505.35388	2.7
531.31592	1.6
539.32312	2.4
541.30890	1.7
557.33661	100.0
558.34082	14.6
583.31354	3.9
601.32434	8.9
615.35510	3.3
616.37933	1.1
641.35474	5.1
659.36627	43.9
659.47589	2.3
660.36920	7.4
667.24432	1.4
667.39246	2.6
703.36029	8.1
704.36920	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	703.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34428	0.8
59.01388	12.1
61.98834	21.9
71.01385	6.3
73.02943	1.6
75.00876	0.9
80.02690	2.5
81.03467	2.9
83.05038	6.4
84.02197	1.2
84.62871	0.8
85.02968	1.8
87.00872	1.2
89.02459	4.6
97.02962	3.7
97.06636	0.9
98.20731	1.8
99.00905	1.8
101.02467	5.1
109.06591	21.5
110.03793	1.0
110.06917	1.1
113.02483	3.0
121.06608	2.4
123.08186	1.2
125.09769	2.6
133.17451	0.8
135.08186	4.5
136.05383	1.3
142.02802	1.0
161.04588	2.1
161.09717	1.9
163.11325	16.8
164.11581	1.5
165.12898	2.3
169.12381	1.3
171.10179	0.8
179.05722	1.3
179.10791	1.2
181.12370	3.9
185.11893	2.4
189.09216	1.8
191.10791	1.6
197.11855	3.1
207.10287	56.0
208.10667	4.8
209.11852	100.0
210.12231	6.0
211.13315	1.8
225.11340	26.4
225.13567	1.7
226.11595	1.8
227.12901	14.5
228.13223	1.4
231.10196	1.1
235.08322	3.3
239.03290	0.9
249.11235	1.3
250.68137	0.8
253.09317	9.6
280.15720	0.8
299.14978	1.0
315.29559	0.9
373.23978	1.8
392.17474	0.9
399.21603	5.0
400.22330	1.2
407.23383	1.0
417.22882	3.9
443.19162	3.6
445.20621	1.1
461.20438	8.7
461.65054	1.0
635.30914	13.2
636.31140	1.5
653.31689	12.2
654.32526	3.4
671.32935	22.4
671.44110	1.6
672.33643	4.8
690.85437	1.0
690.99756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63724	1.3
55.01874	3.3
57.03450	3.8
57.35872	1.2
58.00603	1.9
59.01387	31.3
61.98839	39.7
71.01390	30.3
71.05032	3.0
71.61302	1.6
72.99310	4.3
73.02944	6.8
83.01397	6.7
85.02966	12.1
87.00887	100.0
88.01236	1.4
88.98757	1.5
89.02447	17.1
92.71608	1.6
95.01408	3.0
96.96014	9.9
97.02921	1.4
99.00893	3.2
99.04520	2.8
99.08148	2.2
101.02454	19.5
101.06087	4.5
109.06606	1.8
111.00868	1.6
111.08184	1.5
112.01664	1.9
113.02464	11.3
113.06097	5.3
119.03507	5.1
121.03000	1.7
123.04523	1.6
123.08146	4.8
125.02470	13.4
125.06082	3.5
126.55998	1.3
135.08197	1.7
137.02483	2.1
137.09767	2.2
138.01968	2.0
139.04037	1.9
141.09224	2.3
143.03439	2.0
151.11287	1.6
161.04552	3.4
163.11292	3.8
167.07127	2.6
169.01465	2.1
179.05673	1.6
181.12276	3.4
197.11813	2.8
199.09770	1.4
201.11282	1.4
201.15002	1.7
205.42128	1.5
207.10268	3.8
207.13930	2.7
209.11815	6.8
209.15445	4.0
215.16557	4.4
225.11433	2.6
228.92490	1.3
243.16037	3.3
245.17509	3.9
259.19165	3.2
266.19458	1.3
314.00748	3.5
315.01495	5.4
426.24506	1.5
435.13177	2.5
447.05789	9.8
453.26401	2.5
453.32318	39.6
453.38583	2.2
454.32437	5.2
479.30441	2.8
503.33731	8.3
615.37646	60.6
616.37531	10.2
641.15302	2.2
641.34967	6.0
659.36597	36.8
660.36877	6.9
685.30505	3.2
703.35944	43.1
704.36072	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	703.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95859	0.9
57.03433	2.9
59.01389	8.5
61.98836	100.0
69.03487	0.9
71.01394	16.7
71.15964	0.9
71.37409	1.1
71.37749	1.1
71.52799	1.0
71.57266	0.8
72.99300	2.2
73.02965	1.4
75.00886	6.4
78.95914	2.4
80.37150	1.0
81.03455	1.3
81.89613	1.0
83.05033	3.9
85.02959	6.8
87.00888	3.0
88.98825	2.4
89.02449	4.6
95.01347	1.7
96.96028	1.9
99.00886	2.7
101.02451	3.8
109.06583	3.4
113.02450	8.3
113.06126	1.1
125.02434	2.1
152.04797	1.1
152.99602	1.0
163.11307	4.0
165.12888	2.3
169.12355	2.8
171.10291	9.3
175.42448	1.0
181.12257	1.6
183.13934	3.6
197.11833	19.9
198.12189	2.0
199.09886	1.9
199.13426	1.0
201.11281	2.0
207.10274	6.2
208.10406	1.0
209.11836	65.7
210.12163	3.5
211.13420	36.1
212.13618	1.1
223.13406	4.7
225.11275	5.6
227.12955	8.5
228.13249	1.1
235.08322	2.3
253.09398	6.6
270.56808	0.9
300.99899	1.2
389.77820	1.1
433.20593	1.7
447.22263	1.7
461.20233	2.1
643.36633	3.2
671.32837	22.9
672.32990	6.3
703.35370	18.4
704.35974	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	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38023	1.0
54.66905	1.0
57.03440	2.5
58.00589	1.1
59.01382	19.0
61.98833	68.7
64.57009	1.0
67.01864	1.4
69.03448	5.7
71.01389	14.6
71.05027	1.9
71.60506	1.6
72.02457	1.2
72.99305	2.1
73.02936	3.3
78.95896	1.3
79.95721	1.4
80.02673	1.4
80.96513	2.8
81.03439	1.5
83.05019	3.7
84.67484	1.5
85.02955	4.8
87.00904	3.6
88.98800	2.9
89.02457	8.3
94.98137	1.5
95.01369	1.4
95.05041	1.7
96.96011	2.6
97.02946	6.3
97.06598	2.5
99.00893	3.0
99.04523	1.3
101.02440	10.0
109.06592	23.7
113.02419	6.0
119.03493	2.3
121.06596	2.8
123.04491	1.4
123.08149	3.5
125.02451	3.3
125.09750	7.4
135.08171	2.6
136.05206	1.8
139.56465	1.1
142.02736	2.5
151.11273	5.7
161.04561	3.4
161.09700	9.3
163.11296	13.1
169.01462	2.2
169.32191	1.3
171.10255	1.6
179.10799	17.3
181.12337	4.8
185.11807	4.7
189.09326	1.2
196.94922	1.1
197.11833	100.0
198.12175	5.2
199.13278	1.4
207.10269	51.7
208.10576	3.1
209.11845	25.4
210.12126	2.0
223.09727	2.5
225.11319	28.6
226.11589	1.9
227.12817	6.5
235.08237	3.3
235.13406	1.7
237.11362	2.1
241.10876	7.0
253.09312	10.3
300.02481	1.4
300.99997	2.9
387.21585	2.2
423.08459	1.1
459.18900	1.9
461.20132	7.1
477.19882	11.7
599.34711	1.8
623.30371	1.7
635.30957	1.9
641.31866	4.3
643.35834	2.0
653.31726	2.7
659.28491	1.8
667.29559	3.3
671.33105	2.2
685.30719	42.3
686.31152	9.8
703.30054	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37651	0.5
53.36325	0.5
69.25389	0.5
71.61195	0.8
72.61007	0.6
79.95758	1.1
88.27730	0.5
91.78257	0.5
92.83009	0.6
96.96047	1.2
107.62958	0.5
110.22993	0.5
148.80228	0.5
170.00371	1.0
183.01222	28.5
184.01917	2.2
197.02817	1.1
201.99712	0.6
210.20886	0.5
216.01050	1.5
230.02412	0.7
269.80176	0.5
271.76352	0.5
294.65805	0.5
309.17676	1.0
311.16888	100.0
312.17200	7.6
407.34909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71496	0.2
58.14820	0.2
59.01380	1.8
61.98833	0.3
71.01392	3.0
71.61280	0.4
72.99285	0.3
73.02965	0.7
76.92274	0.3
80.02690	0.3
81.03471	0.4
83.01391	0.8
83.05042	2.2
84.02187	0.3
85.02956	0.8
87.00890	0.6
89.02443	1.6
91.80671	0.3
95.01387	0.3
95.05047	0.5
101.02451	3.1
103.04056	0.3
113.02466	1.3
119.03501	0.7
119.53860	0.3
125.06098	0.3
145.05101	0.8
161.04562	1.2
163.11296	1.9
165.12848	1.2
191.10637	0.4
209.11842	58.7
210.12177	3.8
227.12895	7.0
228.13210	0.4
235.08238	5.7
253.09300	7.0
254.09778	0.4
255.23309	100.0
256.23636	7.7
445.20468	0.4
491.32321	1.0
615.66547	0.3
701.38708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83499	0.2
59.01377	2.4
60.54917	0.2
61.98824	0.2
62.55843	0.2
67.07881	0.2
71.01385	2.8
72.99323	0.3
73.02950	0.9
80.02675	0.7
81.03448	0.7
83.01395	0.6
83.05032	2.6
84.02179	0.5
85.02945	1.1
87.00890	0.9
89.02449	1.9
95.01357	0.3
95.05048	0.4
98.20643	0.5
99.00890	0.2
101.02444	3.2
108.80332	0.2
113.02455	1.3
119.03496	0.4
133.05019	0.3
135.08206	0.4
143.03450	0.2
145.05061	0.8
161.04562	1.3
163.11301	2.0
165.12839	1.6
191.10779	0.6
209.11838	60.5
210.12183	3.4
227.12909	5.7
228.13196	0.4
235.08232	5.9
253.09291	6.7
255.23303	100.0
256.23648	8.0
280.28055	0.2
287.47845	0.2
445.20731	0.5
491.32202	0.6
711.76740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38023	1.0
54.66905	1.0
57.03440	2.5
58.00589	1.1
59.01382	19.0
61.98833	68.7
64.57009	1.0
67.01864	1.4
69.03448	5.7
71.01389	14.6
71.05027	1.9
71.60506	1.6
72.02457	1.2
72.99305	2.1
73.02936	3.3
78.95896	1.3
79.95721	1.4
80.02673	1.4
80.96513	2.8
81.03439	1.5
83.05019	3.7
84.67484	1.5
85.02955	4.8
87.00904	3.6
88.98800	2.9
89.02457	8.3
94.98137	1.5
95.01369	1.4
95.05041	1.7
96.96011	2.6
97.02946	6.3
97.06598	2.5
99.00893	3.0
99.04523	1.3
101.02440	10.0
109.06592	23.7
113.02419	6.0
119.03493	2.3
121.06596	2.8
123.04491	1.4
123.08149	3.5
125.02451	3.3
125.09750	7.4
135.08171	2.6
136.05206	1.8
139.56465	1.1
142.02736	2.5
151.11273	5.7
161.04561	3.4
161.09700	9.3
163.11296	13.1
169.01462	2.2
169.32191	1.3
171.10255	1.6
179.10799	17.3
181.12337	4.8
185.11807	4.7
189.09326	1.2
196.94922	1.1
197.11833	100.0
198.12175	5.2
199.13278	1.4
207.10269	51.7
208.10576	3.1
209.11845	25.4
210.12126	2.0
223.09727	2.5
225.11319	28.6
226.11589	1.9
227.12817	6.5
235.08237	3.3
235.13406	1.7
237.11362	2.1
241.10876	7.0
253.09312	10.3
300.02481	1.4
300.99997	2.9
387.21585	2.2
423.08459	1.1
459.18900	1.9
461.20132	7.1
477.19882	11.7
599.34711	1.8
623.30371	1.7
635.30957	1.9
641.31866	4.3
643.35834	2.0
653.31726	2.7
659.28491	1.8
667.29559	3.3
671.33105	2.2
685.30719	42.3
686.31152	9.8
703.30054	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87426	0.7
52.06579	0.7
57.03452	0.8
57.95361	0.7
59.01388	8.7
61.98836	34.5
63.34412	0.7
69.03457	1.4
71.01402	4.8
71.05016	0.7
73.02963	1.1
81.03450	1.0
83.01413	1.2
83.05028	5.4
84.02168	1.0
86.32909	0.8
87.00883	1.6
88.98824	1.5
89.02468	3.5
93.63383	0.8
95.05036	0.9
101.02483	4.9
109.06590	1.0
111.08181	1.5
113.02454	3.0
119.03481	0.8
125.02444	0.9
134.93593	0.8
144.20355	0.8
149.09709	0.9
161.04587	2.6
163.07585	1.0
163.11313	3.5
165.12886	2.7
167.10744	1.9
169.12303	2.7
171.10303	4.1
178.38132	0.8
179.14427	2.4
183.13644	1.0
195.13918	8.1
197.11835	2.7
202.79266	0.8
205.12346	6.7
207.10249	1.9
209.11841	100.0
210.12193	6.4
211.13463	4.6
223.13399	78.0
224.13718	3.7
227.12900	17.0
235.08325	4.9
237.14960	1.7
239.12848	1.8
244.53850	0.9
253.09256	10.0
259.15506	2.2
261.14951	1.0
300.99683	1.1
415.24850	0.8
441.20767	1.0
445.20886	2.5
459.22498	9.7
506.99527	1.0
597.31097	0.9
669.31799	2.8
701.34155	2.7
702.34735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98732	1.2
54.63647	1.0
57.03445	1.2
58.08800	1.0
62.47155	0.8
69.56432	3.3
69.56851	4.3
73.91877	1.0
91.07211	1.0
94.16716	1.1
95.01386	1.6
111.04545	1.1
111.25879	1.0
111.87781	1.0
124.01641	3.8
125.02441	1.1
139.04050	2.1
151.00392	2.1
152.01079	2.4
165.01900	1.8
166.02687	3.0
179.03511	10.5
185.47186	1.1
193.05078	1.1
209.11861	5.9
214.80139	1.1
227.12918	1.8
246.34634	1.1
253.09111	1.7
255.23340	9.7
302.40695	1.0
313.25381	21.7
314.25684	3.1
343.19144	39.6
344.19482	6.1
357.24341	100.0
358.24640	12.0
466.57913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74714	0.2
59.01093	0.4
59.01385	6.7
61.98835	0.5
69.03456	0.4
69.66891	0.8
69.67299	0.3
71.01396	1.2
71.07690	0.2
81.81214	0.2
82.90930	0.2
85.02963	0.4
89.02447	1.0
97.06595	0.2
101.02452	1.2
101.57494	0.2
113.02456	0.6
119.03497	0.3
145.05092	0.2
155.10753	0.3
159.10410	0.2
161.04558	0.6
165.12828	0.3
167.10832	0.3
167.14380	0.5
168.11696	0.2
171.10326	0.4
172.10590	0.2
179.05602	0.5
180.07199	0.2
183.13924	6.2
184.14282	0.3
190.82185	0.2
193.12366	1.8
207.10266	0.3
209.11957	0.2
211.13411	100.0
212.13760	6.7
235.08255	1.4
251.51833	0.2
253.09308	3.4
303.01093	0.2
429.21246	1.4
447.22394	8.0
448.22632	0.9
623.34326	1.3
633.50568	0.2
641.35406	0.8
666.21460	0.2
702.40881	0.3
706.84021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98832	21.2
68.80147	0.3
71.01382	4.0
71.61158	0.5
72.99307	0.5
73.02950	1.2
76.01185	0.4
80.02678	1.6
80.96523	2.4
81.03451	0.9
83.01382	0.5
83.05031	3.1
84.02160	1.1
85.02956	1.6
87.00883	1.3
88.98811	0.8
89.02448	3.0
95.05024	0.5
96.96024	1.0
97.06602	0.5
99.00876	0.4
101.02447	2.9
109.06598	0.8
113.02482	2.0
119.03516	1.0
125.02471	1.1
125.09741	0.6
135.08167	0.5
139.03969	0.6
148.05341	0.7
149.09718	0.4
153.05510	0.4
161.04539	1.2
163.07660	0.7
163.11284	2.3
165.12868	0.9
169.05116	0.4
171.10277	1.5
175.14992	0.6
179.05612	0.6
191.10815	0.9
191.14423	0.6
193.15962	1.5
199.13417	1.7
207.10173	0.7
209.11836	59.7
210.12198	3.2
211.13396	0.9
219.13855	1.8
225.00726	0.7
225.11334	0.8
227.12849	7.0
228.13321	0.6
235.08238	2.0
237.14964	100.0
238.15276	7.0
239.12788	0.4
249.14978	0.4
253.09302	9.1
254.09607	0.5
255.12178	0.8
255.13034	0.7
255.16032	14.6
256.16360	1.2
275.16470	1.5
299.99103	0.5
300.99817	0.6
429.26215	0.5
473.23843	0.6
479.33542	0.7
503.33704	3.7
504.34219	0.8
529.81592	0.4
641.35742	1.0
665.35675	1.4
701.28448	1.9
701.38446	1.2
702.28601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03948	1.1
55.18923	1.3
56.36465	1.0
57.03452	5.3
64.65001	1.0
65.00317	1.5
65.68769	1.2
69.51968	5.8
69.52375	1.9
73.08934	1.1
78.95928	2.0
81.03462	9.4
83.01401	18.5
85.11348	1.1
86.36192	1.2
95.04993	1.3
95.86621	1.0
123.04547	3.6
125.02462	100.0
126.02811	3.0
149.02472	4.0
151.00407	2.2
151.12517	1.2
167.03505	3.9
179.03662	1.2
209.76634	1.2
218.33960	1.0
245.15398	2.8
251.03629	1.2
285.18762	3.1
308.08539	1.0
329.17615	51.8
330.17960	4.6
371.18625	34.1
372.18948	2.4
395.18121	1.0
448.74597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.4
61.98833	50.0
69.56898	8.7
71.01387	9.5
75.00871	1.3
79.95697	1.3
81.03429	1.4
83.05026	3.0
85.02951	2.7
87.00920	2.1
87.99487	1.1
88.98827	5.6
89.02437	7.0
97.02974	5.7
98.20679	1.5
99.00871	1.7
101.02467	7.5
104.91257	1.2
107.04999	1.1
109.05874	1.9
109.06595	24.0
113.02436	4.0
119.03516	2.2
135.08165	3.2
137.09631	1.2
142.02658	1.4
145.05025	2.7
153.12839	1.3
161.04585	4.8
163.11322	12.5
164.43526	1.2
169.12389	9.7
171.10280	4.8
172.10547	1.5
172.61067	1.3
179.05496	1.4
179.10764	2.1
181.12312	3.4
183.13957	1.6
185.11783	1.9
189.09138	1.3
197.11836	100.0
198.12177	5.1
202.05002	1.2
207.10260	57.8
208.10620	1.5
209.11832	29.2
211.13347	3.4
223.13399	12.1
225.11325	30.7
226.11699	2.3
227.12885	3.7
235.08226	5.2
237.11250	1.5
237.14899	2.1
253.09286	13.7
259.15524	3.9
300.99683	1.6
308.63623	1.3
309.93558	1.2
325.21756	1.9
343.22916	1.6
359.22235	4.6
369.20660	6.0
370.21298	1.4
377.23407	3.1
387.21786	16.1
388.22165	1.9
405.23083	5.7
433.20532	3.7
443.19250	4.6
461.20245	8.6
595.31219	4.1
605.29559	2.4
623.30774	34.0
624.31519	5.0
641.31714	36.0
642.31622	6.9
669.31018	2.2
701.35522	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	701.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76383	0.8
59.01374	1.7
59.75024	0.8
61.98816	1.4
69.77534	5.0
71.01392	1.2
71.66177	0.8
89.02419	1.0
102.21066	0.9
113.45088	0.9
119.18008	0.7
123.08199	1.6
125.02442	2.3
132.59761	0.8
150.06953	1.7
169.01370	1.6
187.09750	3.5
197.02231	6.2
211.13261	1.5
211.83435	0.9
300.03204	0.9
300.99902	1.4
410.81357	1.0
431.04080	1.0
453.30054	2.6
485.32819	6.8
503.33792	100.0
504.34238	15.5
701.24713	1.7
701.36945	24.7
702.37323	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	701.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.8
58.00584	1.9
59.01378	16.5
60.99311	2.0
61.98836	76.5
69.03448	2.8
71.00990	4.4
71.01389	91.0
71.60587	1.9
71.60981	3.4
72.99315	3.0
73.02956	8.9
75.00867	2.3
80.52431	2.3
80.96545	4.9
81.03481	2.2
82.99316	1.7
83.01398	4.3
83.05030	13.4
84.02209	2.1
85.02945	12.0
87.00897	3.7
88.98801	4.0
89.02464	7.1
96.96020	3.4
97.02969	3.8
99.00903	5.0
101.02443	10.5
109.02917	3.0
109.06603	8.1
113.02457	5.9
119.03473	1.7
121.02988	2.0
125.02436	7.8
125.06127	2.1
125.09760	2.7
136.49875	1.9
137.02470	2.1
139.04041	2.9
139.11221	1.8
141.01913	2.0
143.03532	1.9
145.05167	2.2
149.21413	1.7
151.68706	1.8
155.10780	3.1
161.04607	3.2
163.11296	8.0
167.10818	2.5
169.12381	7.1
171.10272	37.3
172.10600	3.6
177.12845	3.0
179.05794	3.0
181.12415	5.5
183.10246	2.1
183.13824	2.3
185.11841	8.8
193.12407	2.3
195.13887	2.5
197.11833	6.6
199.13417	5.7
201.11356	12.6
207.10240	15.8
209.11836	100.0
210.12122	9.2
211.13387	5.1
213.11290	6.1
219.10406	4.6
221.11838	35.2
223.13362	12.3
225.11296	21.0
227.12886	14.6
233.11514	2.3
235.08281	4.8
235.13396	3.7
237.11383	10.6
237.14920	15.6
239.12854	22.1
243.12483	2.8
251.12955	2.3
253.09319	14.3
255.12431	7.1
255.15785	2.5
267.16248	2.0
273.16974	4.1
275.13080	2.4
300.99850	3.8
305.51526	2.1
377.23383	2.6
461.20126	3.2
473.20151	4.1
475.21896	4.0
503.33472	4.1
596.45612	2.3
641.35681	2.6
665.31238	2.6
683.32971	3.2
701.34082	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23558	10.5
59.01392	27.0
61.86620	11.8
61.98832	37.6
69.41859	92.4
71.01420	11.5
78.14259	9.9
78.95905	13.9
79.91238	10.1
85.02930	10.0
101.02433	10.5
102.88381	10.2
154.52420	12.6
171.10324	52.3
209.11879	12.8
211.13377	100.0
223.13423	91.3
305.68518	12.5
311.22220	21.6
345.77368	13.1
398.94089	11.7
459.22232	23.0
701.32269	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	6.3
71.61211	4.6
81.39677	3.1
84.95651	3.5
94.95957	3.2
95.01376	4.2
115.92038	8.1
116.92838	3.6
124.01658	8.1
125.02448	4.2
137.02510	5.2
138.03271	7.5
139.04002	13.1
152.01103	8.6
153.05588	5.8
165.01865	7.0
166.02687	11.4
179.03503	37.9
180.04262	7.8
193.05046	14.8
195.06615	5.8
207.06624	5.9
207.10191	4.7
209.11803	5.8
225.11127	3.4
233.08183	4.9
253.21703	9.9
255.23311	11.6
313.14529	3.7
343.19144	100.0
344.19327	8.1
355.19125	96.4
355.23138	3.5
356.19394	12.9
409.11206	3.3
539.94745	4.0
699.35809	5.1
699.42419	3.0
727.12378	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	699.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99032	0.7
53.95530	0.9
57.03445	1.8
58.46948	0.7
61.98832	2.7
65.00330	1.6
71.60703	0.8
71.61800	1.2
81.03466	7.2
83.01401	1.4
95.01426	1.3
97.17817	0.8
107.01350	1.0
124.01697	1.2
125.02455	4.9
131.72054	0.8
151.00385	1.4
152.01155	1.5
166.02731	1.1
179.03485	0.9
209.11816	5.0
217.99619	0.9
225.11342	0.8
253.21762	5.8
255.23291	1.2
271.20450	0.8
273.18616	1.2
297.22379	1.3
313.21780	9.9
314.22144	1.5
339.19867	2.0
340.20297	2.2
341.21420	7.2
357.20731	100.0
358.21033	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97573	0.7
59.01382	100.0
64.10625	0.6
64.35312	0.7
65.88226	0.7
75.78158	0.6
76.38429	0.9
78.95897	1.1
98.20657	1.3
114.70315	0.8
125.02430	1.0
128.11858	0.7
183.01024	0.7
297.15286	3.1
314.84683	0.8
438.13449	3.5
439.13510	1.0
452.14999	2.2
480.14453	1.3
481.15244	34.2
482.15656	7.8
495.16708	12.2
496.17474	3.7
497.18536	4.8
498.18817	0.9
513.78113	0.8
514.14777	2.8
525.13898	1.1
539.15967	2.1
540.16565	8.4
541.16296	1.2
551.50995	0.9
553.16956	1.0
554.18085	3.3
555.18872	57.1
556.19147	12.6
567.19519	1.1
572.15601	15.5
573.15979	4.4
586.17328	5.7
587.17242	1.7
609.20099	2.2
627.20868	1.3
641.22552	28.8
642.22961	8.1
701.24695	64.6
702.24908	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	699.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31710	3.0
56.46393	2.9
57.03445	5.7
59.01382	28.5
61.98840	100.0
65.03950	3.9
71.01384	16.5
72.19159	2.5
72.99310	4.1
73.02953	3.6
74.71229	2.6
83.05029	3.6
83.63828	2.7
85.02982	6.0
87.00891	8.3
89.02451	13.8
96.96003	12.5
97.06610	3.3
101.02439	11.2
109.06599	2.8
111.04570	3.7
111.08158	4.7
113.02444	6.0
113.26093	2.5
122.76987	2.9
123.00857	2.8
125.02479	8.7
125.09723	5.9
145.05080	3.3
148.05215	3.0
151.00388	4.4
151.07666	3.1
161.04538	5.6
166.19128	3.0
168.00543	2.6
169.01456	4.1
171.10287	62.0
172.10654	3.0
175.04059	2.8
207.10185	3.8
209.11835	20.6
211.13391	19.6
215.14424	4.4
221.15486	4.3
225.11465	2.9
229.52094	2.8
231.13869	4.6
233.15555	13.0
235.08295	5.8
235.13480	3.0
239.12975	3.6
241.14401	3.4
249.14940	19.9
253.09299	9.1
255.16029	3.8
285.03836	2.8
299.99222	2.8
300.99805	4.5
341.25003	3.5
385.23816	12.9
403.24838	26.6
407.19058	3.8
421.26181	7.5
477.32489	6.2
501.32120	3.8
621.32727	49.9
622.33661	6.5
639.33759	58.1
640.34460	9.4
699.36572	11.2
700.36707	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	699.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	3.2
61.98832	5.6
71.01376	1.9
71.60632	2.8
75.10154	1.9
83.05028	2.7
95.04990	1.9
109.06600	2.6
113.02430	2.5
125.02383	1.6
130.59680	1.7
133.72961	1.6
135.04506	2.1
153.04492	2.0
153.05557	11.2
161.04526	2.6
161.56972	2.1
179.03560	1.7
194.05956	2.0
207.10185	2.2
209.11844	60.5
210.12062	2.7
211.95683	1.9
225.11391	3.6
227.12830	6.0
235.08240	5.4
253.09338	7.9
253.21730	100.0
254.22108	6.1
255.23286	6.0
313.21912	2.0
341.21164	2.8
357.20703	56.5
358.20963	5.0
552.67902	1.8
636.40021	2.6
700.38171	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	699.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21020	0.4
59.01372	1.6
61.98810	1.0
71.05013	1.2
71.61025	0.6
79.95712	2.0
89.02461	0.7
94.24657	0.4
96.96011	100.0
97.95934	0.5
98.95590	0.5
101.02491	0.5
101.95406	0.3
116.92873	0.4
117.05569	1.4
123.04517	0.8
125.02485	1.8
150.03217	1.2
153.05565	0.9
162.19113	0.4
164.01131	0.6
165.05559	1.9
169.01411	2.2
185.11850	2.8
195.06683	2.7
221.08516	2.1
249.08069	0.6
265.07507	76.6
266.07831	3.8
282.46469	0.4
300.02737	0.4
300.99908	1.4
301.03067	0.5
311.76913	0.4
329.14163	0.9
339.24478	0.3
347.43292	0.4
377.16382	0.5
406.29462	0.4
433.07822	0.8
537.16663	0.4
699.21252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	1.2
59.01383	17.6
61.20132	0.6
61.98810	0.7
69.47205	3.9
69.47625	1.2
71.01407	2.8
71.01764	0.6
82.79980	0.5
89.02462	2.4
95.37344	0.7
97.06683	0.6
98.20654	0.6
101.02452	3.0
113.02424	1.0
125.09775	0.7
138.79247	0.5
153.05591	0.7
159.89296	0.6
161.04646	1.2
171.10291	2.3
178.43524	0.5
183.13890	5.2
193.12357	1.6
200.61880	0.6
209.11845	94.1
210.12161	5.5
211.13405	100.0
212.13730	5.5
235.08278	5.3
253.09279	6.7
291.19562	0.7
375.45166	0.6
429.21561	3.3
445.20950	3.2
447.22510	5.5
448.22787	1.0
639.33636	1.4
714.14972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01383	15.9
61.98826	3.9
64.38688	0.5
65.15558	0.5
69.03475	2.2
71.01388	5.1
71.05032	0.7
73.02953	0.8
83.01411	0.6
83.05037	1.2
85.02959	1.4
87.00886	1.4
89.02451	3.4
97.02986	1.0
101.02454	3.4
111.08142	1.6
113.02472	2.4
119.03523	1.3
125.02441	1.5
125.09761	1.6
138.43723	0.6
141.09167	0.9
143.03531	0.9
145.05051	0.6
149.09752	0.6
153.12883	1.2
161.04568	1.6
165.12837	0.8
167.10770	2.0
169.12354	7.2
171.10278	45.2
172.10602	1.9
177.12930	0.5
179.05649	0.7
179.10699	1.5
179.14384	2.5
195.13913	6.0
196.14258	0.6
197.11835	100.0
198.12163	5.8
199.13365	0.9
201.11313	0.6
205.12321	6.7
209.11792	3.0
211.13412	4.9
223.13399	70.2
224.13655	4.7
227.12923	0.9
235.08217	5.5
236.08504	0.6
247.39787	0.5
252.17114	0.6
253.09319	13.3
254.09744	0.7
273.18762	0.5
291.19650	7.5
297.82294	0.6
300.99768	0.8
309.17197	0.8
309.20724	14.0
310.21103	1.6
385.23618	1.0
403.24893	0.9
405.49780	0.5
407.19281	0.8
415.19498	0.8
433.20724	6.4
434.20926	0.9
441.21298	2.0
459.22345	10.3
460.22559	0.8
487.61084	0.5
518.63971	0.6
595.31219	0.8
621.32928	2.5
639.33978	3.2
640.33606	0.6
699.31927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66143	3.0
61.98817	5.6
71.61266	5.2
80.02796	3.0
81.03471	9.0
85.06555	3.7
87.25500	3.3
92.09615	3.6
95.21188	3.0
125.02451	5.7
152.53004	3.0
153.05576	11.9
251.20090	4.1
291.23306	22.4
335.22281	100.0
336.22598	11.3
361.23871	71.2
362.24161	6.8
697.37970	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	698.353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01383	2.9
61.98837	33.0
62.96392	0.5
71.01380	1.8
71.61136	0.4
73.02943	0.5
77.97261	0.3
78.95914	15.6
79.97675	0.3
80.02682	2.3
80.96524	0.6
81.03448	2.4
83.01360	0.6
83.05029	8.0
84.02180	1.8
85.02946	0.5
86.65553	0.3
87.00889	0.5
88.98830	0.8
89.02457	0.9
93.03466	0.4
95.05032	1.1
96.96025	0.6
101.02453	1.1
109.06613	0.6
113.02435	0.4
116.92892	0.6
121.02982	0.5
122.00163	1.7
123.00889	0.7
123.04559	0.6
124.01673	0.4
125.02460	2.7
125.06078	0.9
132.42686	0.4
135.04523	0.9
135.08168	1.4
137.02495	0.4
140.01212	5.5
144.74680	0.4
151.00372	1.0
151.04062	0.6
160.01692	0.8
163.11304	7.4
165.12865	4.2
169.01437	1.8
175.02415	0.4
175.03958	0.3
179.03497	0.7
179.10803	0.4
181.05110	0.4
181.12384	1.3
191.10796	1.8
193.05136	0.6
196.03847	2.4
209.11844	100.0
210.12172	7.0
227.12915	18.1
228.13240	0.9
254.07265	0.4
259.15509	1.3
271.02301	0.5
287.05527	0.6
289.06876	0.5
299.99127	0.4
300.99765	1.2
302.00119	0.5
350.16220	0.4
406.16168	0.5
424.17477	0.7
456.19968	1.9
457.02148	0.5
475.34204	1.1
476.34595	3.5
618.39050	0.6
634.30200	2.6
635.30316	1.8
660.37482	0.6
662.36945	0.4
666.32617	17.8
667.33197	3.0
669.46747	0.4
698.35254	43.4
699.35693	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	696.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51760	0.2
58.71097	0.2
59.01405	0.3
61.98834	100.0
65.71427	0.2
71.01363	0.3
71.60641	0.3
78.95931	0.3
79.03175	0.2
83.05067	0.3
89.02474	0.2
125.02460	0.5
128.55698	0.2
145.03090	0.3
171.10310	1.0
185.11861	0.5
211.89584	0.2
260.66873	0.2
307.19199	0.3
516.34296	0.3
633.38141	0.4
697.37292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55461	0.1
61.98834	100.0
62.98524	0.2
70.64307	0.3
70.64662	0.3
78.47379	0.2
80.73521	0.1
95.14519	0.2
96.95981	0.1
120.78137	0.1
120.99587	0.1
125.02457	0.4
172.38484	0.1
328.87671	0.1
338.59982	0.1
687.96161	0.1
695.65216	0.2
697.38678	0.3
719.60828	0.2
719.77148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67476	0.2
57.03469	0.3
61.98834	100.0
62.98549	0.3
78.95938	0.3
79.77745	0.3
83.74252	0.3
98.19809	0.3
112.19187	0.2
125.02471	0.6
145.02972	0.4
150.70813	0.2
156.61702	0.3
171.10316	1.0
183.31773	0.3
206.29909	0.2
224.27615	0.2
244.12413	0.2
258.29517	0.3
265.14777	0.2
292.42877	0.3
306.87891	0.2
307.19211	0.4
409.43268	0.3
633.38342	0.4
696.37451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
61.98819	3.2
71.60618	4.1
78.95910	3.1
81.03467	7.9
83.01389	2.8
96.96014	7.8
125.02439	10.2
148.77808	2.8
151.00349	4.2
152.01105	7.8
166.02625	2.8
169.19258	2.8
196.87781	3.3
204.76224	2.6
225.11404	4.0
255.23195	6.1
265.14804	6.8
284.91626	2.8
311.20190	6.5
355.19159	100.0
356.19333	9.9
417.35742	3.1
697.40723	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	695.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45840	1.4
54.35422	1.6
57.03468	1.8
58.96909	1.6
59.01383	12.3
61.98837	84.7
66.38187	1.7
67.01894	1.6
71.01384	6.6
83.01405	2.4
85.02945	3.6
87.00903	3.2
88.98814	4.5
89.02430	4.3
96.96011	3.4
101.02437	4.9
107.01392	7.6
111.00883	2.4
113.02464	3.3
121.02957	3.3
123.00890	15.3
125.02465	20.5
130.26155	1.5
132.50636	1.5
135.04523	4.9
139.00395	4.2
140.01187	2.8
141.01874	1.5
143.21251	1.7
151.00397	18.8
152.04811	2.4
158.02092	1.4
161.04509	1.6
163.03990	3.1
165.05502	1.7
168.00697	2.1
169.01431	25.6
176.03517	2.1
177.02017	1.7
207.81311	1.8
209.11824	1.6
253.73494	1.6
265.70621	1.5
267.15994	2.1
271.02313	2.0
287.05548	5.3
299.99142	4.8
300.02335	1.9
300.99823	4.0
301.03250	1.8
420.88104	1.5
426.59891	1.7
473.33051	2.6
487.34262	4.5
503.33713	5.2
601.13794	1.7
632.34021	5.9
657.34845	17.8
658.35535	4.3
659.36438	100.0
660.36816	14.9
695.18658	4.0
695.35583	3.1
696.35095	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	695.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45840	1.4
54.35422	1.6
57.03468	1.8
58.96909	1.6
59.01383	12.3
61.98837	84.7
66.38187	1.7
67.01894	1.6
71.01384	6.6
83.01405	2.4
85.02945	3.6
87.00903	3.2
88.98814	4.5
89.02430	4.3
96.96011	3.4
101.02437	4.9
107.01392	7.6
111.00883	2.4
113.02464	3.3
121.02957	3.3
123.00890	15.3
125.02465	20.5
130.26155	1.5
132.50636	1.5
135.04523	4.9
139.00395	4.2
140.01187	2.8
141.01874	1.5
143.21251	1.7
151.00397	18.8
152.04811	2.4
158.02092	1.4
161.04509	1.6
163.03990	3.1
165.05502	1.7
168.00697	2.1
169.01431	25.6
176.03517	2.1
177.02017	1.7
207.81311	1.8
209.11824	1.6
253.73494	1.6
265.70621	1.5
267.15994	2.1
271.02313	2.0
287.05548	5.3
299.99142	4.8
300.02335	1.9
300.99823	4.0
301.03250	1.8
420.88104	1.5
426.59891	1.7
473.33051	2.6
487.34262	4.5
503.33713	5.2
601.13794	1.7
632.34021	5.9
657.34845	17.8
658.35535	4.3
659.36438	100.0
660.36816	14.9
695.18658	4.0
695.35583	3.1
696.35095	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	695.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.9
60.75651	1.1
61.98837	47.7
65.00317	2.7
65.44844	1.1
67.01898	1.3
69.03490	1.1
69.40827	4.4
69.41270	5.9
71.01378	5.4
73.02950	1.4
83.01392	2.8
85.02969	2.0
87.00854	1.2
88.98798	2.6
89.02460	3.8
93.03486	1.7
95.01374	1.9
96.95992	3.6
101.02444	3.4
107.01411	9.3
109.02976	1.6
111.00883	1.7
113.02390	1.8
116.92851	2.5
123.00903	15.7
125.02457	17.5
129.54967	1.1
134.03532	1.2
135.04547	16.3
136.98785	1.1
137.02422	1.6
139.00380	3.1
140.01143	3.3
141.01881	2.3
145.02968	1.8
151.00386	30.1
152.04837	1.3
165.05449	1.2
168.00667	3.5
169.01437	19.1
176.03499	4.0
196.27211	1.1
267.15829	1.3
287.05737	5.9
299.99054	4.1
300.99948	7.9
301.02832	1.4
373.74078	1.5
412.61142	1.3
473.32724	22.0
474.32666	1.9
475.18417	1.3
487.34238	1.3
632.33813	1.5
657.34485	7.3
658.34723	1.5
659.36517	100.0
660.36859	16.5
695.16522	13.8
695.27850	2.4
696.16730	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	695.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25228	1.3
54.87353	1.4
57.72538	1.4
59.01386	18.1
61.98837	82.7
62.66652	1.5
63.20175	1.6
65.00333	3.4
67.01921	1.4
69.03477	1.2
69.34764	6.2
69.35199	6.3
71.01384	8.1
72.99326	1.3
73.02962	2.6
75.00878	1.8
83.01405	4.4
85.02964	2.4
88.98798	3.4
89.02462	4.4
95.01418	1.4
96.96025	4.5
97.62202	1.3
98.19903	2.3
99.04459	1.5
101.02453	4.5
101.61221	1.4
101.91693	1.3
107.01413	10.1
109.02989	2.1
111.00901	1.6
113.02486	3.4
116.92896	1.9
119.03565	1.9
123.00888	15.5
124.01678	1.6
125.02452	19.6
127.00395	1.5
135.04529	16.6
137.02426	2.3
139.00394	3.7
141.01936	1.6
145.02933	2.3
151.00381	40.1
152.04773	2.6
153.01953	2.4
156.42467	1.4
161.02431	3.0
163.04112	2.1
165.05640	2.4
167.03502	1.4
168.00623	1.9
169.01433	20.7
176.03505	4.0
177.03838	1.7
211.02348	2.2
248.28723	1.5
287.05621	5.7
299.99121	4.2
300.99924	8.4
313.05588	1.6
336.58142	1.8
473.32834	29.0
474.33188	4.2
487.34299	1.6
632.33331	4.3
657.34137	7.8
658.35309	3.1
659.36487	100.0
660.36798	20.2
695.16400	14.3
695.35864	4.7
696.16644	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	693.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
69.63831	4.0
73.33807	0.7
74.99295	0.8
78.95908	35.1
80.02680	2.6
81.03471	2.5
83.05033	9.6
84.02177	2.3
91.63116	0.8
95.05054	1.3
96.96980	2.7
98.19839	0.8
125.06088	1.7
135.08154	1.5
152.99600	30.9
153.05637	0.9
163.11292	7.2
164.11711	0.7
165.12885	4.0
167.13963	0.7
169.12369	1.1
171.00668	6.0
173.09790	0.8
181.12375	1.4
191.10750	1.4
197.11850	13.6
209.11835	100.0
210.12167	6.6
227.03262	2.1
227.12910	15.6
228.13242	1.4
253.21727	2.9
255.23308	52.9
256.23682	5.1
363.12173	2.7
371.25571	0.8
385.23792	1.2
387.24426	1.1
425.15942	0.9
437.15891	1.9
457.18484	11.8
458.18610	1.2
483.27316	2.8
484.27341	1.0
693.39783	98.5
694.40131	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	694.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97689	0.7
54.51562	0.6
61.98827	1.1
62.96410	0.8
66.69238	0.7
69.61700	4.4
71.09361	0.8
78.95909	18.6
80.02687	2.3
81.03465	2.0
83.01402	0.8
83.05027	9.1
84.02162	2.0
88.93787	0.6
95.05037	1.3
96.96944	0.8
100.75895	0.8
107.73976	0.6
122.00144	2.0
125.02462	0.8
125.06086	1.0
125.16457	0.6
130.92802	0.7
135.08186	1.6
140.01190	7.2
145.10269	0.7
146.63976	0.6
152.99559	2.1
153.05634	1.1
163.11353	6.6
165.12856	3.8
181.12434	1.1
191.10912	1.6
196.03845	4.8
209.11852	100.0
210.12180	5.2
227.12906	27.4
228.13202	1.0
255.23317	57.6
256.23724	2.9
264.19427	0.8
325.18472	1.4
433.58502	0.8
434.26682	1.1
452.27921	4.1
457.17813	0.9
489.02551	0.7
662.40393	17.0
663.40491	3.7
694.43170	50.2
695.43408	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	692.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89195	0.8
59.01389	5.4
60.52897	0.6
61.98835	55.6
69.54870	2.9
69.55292	2.3
71.01391	4.4
72.99315	1.2
73.02957	1.6
74.76303	0.6
83.01368	0.9
85.02946	2.0
88.98829	1.1
89.02450	1.3
95.01381	1.4
96.96010	1.4
101.02442	2.3
107.01408	4.2
111.00878	1.9
113.02435	1.0
123.00904	12.2
124.01667	1.2
125.01629	1.1
125.02461	15.9
135.04517	0.7
136.98836	1.0
139.00388	4.0
140.01152	3.8
141.01894	1.4
151.00371	8.5
161.04568	0.7
165.05537	0.9
168.00681	3.1
169.01442	19.7
171.10197	1.1
171.33757	0.8
201.11317	2.0
209.11816	6.3
210.12157	3.5
211.13214	0.7
227.12944	1.5
228.13187	0.7
253.09256	1.4
255.76068	0.8
271.04581	1.1
301.00003	0.9
313.05585	1.3
515.26727	0.8
585.86548	0.7
585.97620	0.7
629.31781	100.0
630.32141	18.1
654.37665	0.8
657.34961	3.4
692.32135	0.9
693.32721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
69.46569	8.7
69.46976	5.6
71.01377	4.1
83.01396	3.7
85.02915	2.0
89.02480	2.2
89.94457	1.9
95.05023	2.4
97.02958	4.5
101.02477	3.1
107.01435	2.9
109.02950	15.8
110.03268	2.0
113.02442	2.9
118.92745	2.1
119.04998	4.6
121.02971	3.9
123.00919	9.9
123.04527	9.0
124.04860	1.8
125.02470	26.0
127.48051	2.1
137.02438	6.8
139.00327	1.9
139.03970	3.2
141.01941	1.9
145.02959	2.5
151.00424	6.5
151.04008	9.1
153.02074	2.3
161.02400	2.2
161.06038	2.5
163.03973	5.1
164.01158	2.3
165.02037	4.4
168.00670	2.8
169.01436	17.7
170.01823	2.1
175.04045	2.4
177.01910	2.4
179.03413	2.8
187.04056	3.5
192.04260	2.3
193.04843	2.1
201.01884	2.1
203.07106	8.5
205.05069	4.4
229.01497	3.8
231.03014	4.9
245.08212	10.2
246.08505	2.7
249.04070	4.9
273.00699	2.5
275.01959	5.7
289.04016	3.2
289.07202	57.5
290.07471	9.6
291.07800	6.6
300.99905	32.4
302.00177	4.2
345.24252	2.0
403.12463	100.0
404.13031	11.3
404.37076	2.2
449.14630	2.1
450.99802	4.5
475.53079	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	691.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22071	0.9
69.55854	3.5
69.56258	2.5
74.16160	0.8
76.84188	0.8
78.95908	38.2
78.96371	2.0
80.02677	1.3
81.03465	2.0
83.05031	6.6
84.02164	1.9
95.05009	1.7
96.96952	2.9
98.20594	1.4
109.06634	0.8
130.45050	0.8
150.97989	1.3
152.99593	56.8
154.00037	1.0
163.11308	6.2
165.12825	4.1
171.00633	7.6
181.12270	1.2
182.38043	0.9
191.10805	1.9
209.11835	100.0
210.12186	5.5
216.49960	0.8
227.03232	4.6
227.12904	11.5
245.04253	2.2
253.21724	21.0
254.22021	1.4
272.38974	0.9
363.12183	7.1
425.22922	1.1
437.15857	6.8
455.16870	95.8
456.17191	8.6
625.35352	0.9
691.38251	74.4
692.38531	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	692.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82689	0.6
55.01863	0.6
57.03434	0.7
58.00603	0.6
59.01387	4.6
61.98835	42.3
65.00344	0.7
66.84032	0.5
67.01892	1.2
71.01391	5.3
71.04998	0.5
71.15294	0.5
71.60974	0.8
72.99331	1.3
73.02942	1.5
75.00891	0.7
81.03473	0.6
83.01392	1.5
83.05035	1.8
85.02940	2.4
87.00864	1.3
88.98797	0.7
89.02439	2.9
95.01399	1.8
96.96011	1.4
97.02964	1.6
99.00919	0.6
101.02451	3.5
102.48198	0.5
107.01394	4.2
109.68111	0.5
110.00078	0.6
111.00871	2.1
111.08213	0.5
113.02446	1.8
114.90884	0.5
116.92802	0.6
123.00895	14.3
125.02457	15.6
126.11277	0.5
127.00356	1.1
127.11268	0.6
135.04535	1.2
139.00359	4.1
139.03983	1.0
140.01184	3.1
141.01935	1.6
143.16339	0.7
151.00374	9.2
151.03972	0.6
161.02414	0.6
163.04138	0.6
163.11278	1.2
164.11575	0.7
165.01846	0.8
165.12921	0.5
168.00699	2.8
169.01431	19.2
170.01747	0.8
171.10231	1.6
172.10548	1.3
176.29471	0.5
177.03995	0.5
179.03546	1.3
179.07176	0.7
185.11803	0.8
201.11343	6.6
202.11725	2.6
209.11835	28.8
210.12177	13.9
211.02525	0.9
211.12607	0.7
214.71622	0.5
225.11272	0.8
227.13000	4.7
228.13173	1.8
235.08051	0.7
253.09181	2.7
271.04636	1.2
296.19626	0.7
300.99896	1.3
301.03482	0.6
313.05734	1.6
315.01443	0.6
371.96448	0.5
446.20645	0.7
471.31183	0.8
487.34421	1.2
488.34927	3.1
489.34763	3.0
506.49081	0.7
629.31769	100.0
630.32007	19.0
648.40747	0.7
657.35535	0.8
692.19794	1.6
692.34735	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	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55360	0.4
58.91891	0.4
59.01398	2.6
59.34600	0.4
61.98820	0.8
71.01379	2.0
73.02951	0.5
80.02692	1.2
81.03471	0.9
83.05032	3.9
84.02164	0.6
85.02960	0.7
87.00841	0.6
89.02433	1.9
101.02443	1.3
113.02445	0.7
125.06084	0.4
125.09756	1.3
127.11295	1.3
135.08206	0.6
155.10829	0.5
161.04510	0.8
163.11316	3.3
165.12877	2.3
169.01472	0.8
171.10281	1.4
181.12393	0.8
191.10812	1.1
199.09853	0.5
201.11337	22.3
202.11626	0.8
209.11845	100.0
210.12190	7.0
227.12901	13.7
228.13196	1.1
235.08231	2.8
253.09312	7.7
375.21429	0.5
437.20477	0.7
445.20813	2.3
463.21906	0.5
629.31067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44958	1.7
78.95912	33.1
80.02670	0.9
81.03447	2.3
83.05029	9.2
84.02187	1.8
93.94023	0.9
96.96975	3.3
104.21759	0.8
105.31609	0.9
105.94620	0.9
135.08145	1.1
152.99603	56.3
163.11285	6.4
165.12843	3.4
171.00673	4.8
181.12318	1.1
191.10788	1.3
209.11842	93.2
210.12155	4.3
227.03297	4.6
227.12904	10.9
245.04286	2.0
253.21722	25.1
336.40747	1.0
347.22336	1.0
363.12122	8.8
411.50290	1.0
437.15891	6.3
455.16891	100.0
456.17108	8.4
691.38324	76.6
692.38544	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.00601	0.8
59.01383	20.5
60.95737	0.4
60.99315	0.5
61.98837	18.9
67.42636	0.5
69.03456	1.6
71.01386	25.4
72.99312	2.5
73.02956	2.0
75.00878	0.6
78.95899	0.5
81.03471	1.0
83.01417	1.4
83.05069	0.6
85.02956	4.3
87.00878	2.2
88.98801	0.6
89.02447	13.5
89.03003	0.9
95.01387	1.8
97.02959	1.7
97.06586	0.5
99.00879	1.1
101.02446	10.4
109.06575	0.7
111.08150	0.6
113.02454	5.6
119.03517	3.1
123.00879	0.5
125.02451	4.1
125.09726	0.7
131.03571	0.6
133.05118	0.5
143.03554	2.4
149.04704	0.5
152.04793	1.1
161.04567	2.4
163.11302	0.6
165.05559	1.3
169.12430	0.7
171.10287	9.3
172.10703	0.6
179.05652	3.4
179.14403	0.6
183.13770	1.1
185.11865	0.6
186.53996	0.4
195.12207	0.9
195.13881	6.7
196.14461	1.3
197.11835	1.0
199.09726	1.4
199.13350	0.7
201.11296	2.1
205.12347	0.7
207.10297	1.8
209.11824	3.7
210.12172	1.1
211.13431	12.3
212.13736	0.9
221.06631	1.1
223.13388	4.7
224.13905	0.7
225.11325	2.0
227.12872	1.2
228.13423	0.6
235.08243	4.4
253.09308	2.8
256.13260	0.8
275.20264	3.6
287.07794	0.7
293.21237	100.0
294.21533	9.1
301.00046	0.6
305.08502	0.9
397.13513	21.8
398.14136	1.3
415.14590	26.4
416.14963	2.1
447.22607	0.5
469.33603	0.9
474.36444	0.5
493.31744	1.8
654.27606	0.8
655.36548	1.0
691.35962	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40285	0.9
57.03458	2.0
59.01388	7.3
61.98833	31.7
71.01389	12.3
73.02963	1.1
81.03468	2.2
83.01401	1.0
83.05039	4.3
85.02940	1.9
85.71220	1.0
87.00888	2.3
89.02454	3.7
95.05036	1.9
96.96035	1.8
97.06580	4.9
101.02449	6.2
101.72243	0.9
113.02492	2.6
125.09665	1.2
151.11296	15.5
152.11615	1.1
161.04619	1.8
163.11250	4.0
165.12758	2.2
169.12347	86.8
170.12714	3.0
171.10249	4.0
179.05687	1.0
179.07124	2.8
195.10234	2.4
196.06406	1.0
207.10210	1.3
209.11833	54.4
210.12154	3.1
211.13414	8.0
213.11316	11.3
216.09209	1.0
225.11699	1.0
227.12952	4.5
235.08195	1.9
253.09288	4.6
263.92938	1.1
279.98199	1.1
346.64130	1.1
348.86478	0.9
411.45541	1.0
431.19324	2.6
449.20340	7.4
493.31259	1.9
637.32312	1.6
641.31940	1.2
659.32886	100.0
660.33325	19.7
691.35266	8.1
692.35498	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	691.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22633	0.8
55.50490	0.8
57.03440	3.1
58.15231	0.8
59.01384	12.2
61.98838	49.2
62.13453	0.8
69.03453	1.2
71.01385	28.3
72.01736	1.4
72.99313	3.6
73.02952	3.8
75.00885	1.0
78.95907	1.8
80.02679	2.1
81.03465	2.2
83.01373	1.4
83.05025	5.4
84.02171	1.9
85.02956	4.7
87.00886	3.4
88.98821	1.8
89.02457	5.6
95.01413	1.4
95.05022	2.0
96.96015	2.5
97.06590	7.1
98.19827	2.5
101.02455	11.2
106.03230	0.9
107.69794	0.9
109.06624	2.2
113.02447	5.5
119.03521	1.0
123.04555	1.1
125.02414	2.3
125.06165	1.0
125.09731	1.1
143.03484	0.9
143.29008	0.8
151.03990	1.2
151.11302	14.6
152.04784	1.1
152.11610	1.7
152.99579	1.0
153.05589	1.1
161.04556	3.0
163.11359	5.1
163.12465	1.0
165.05574	2.4
165.12865	2.6
169.01402	2.3
169.12357	64.4
170.12662	3.2
171.10297	9.8
172.10634	1.0
179.05606	0.9
181.12350	1.7
183.13893	2.5
185.11833	1.8
191.10783	1.2
195.10222	2.1
197.11781	1.9
199.09753	1.2
199.13400	1.2
201.11298	3.4
207.10272	3.6
209.11841	72.2
210.12122	7.2
211.13483	11.3
213.11317	8.2
217.88727	0.7
225.11327	3.5
226.11749	1.0
227.12990	7.1
228.13289	0.9
230.43581	1.1
230.45822	1.3
235.08368	1.5
253.09343	7.0
300.99878	0.9
354.29181	1.0
370.17499	0.8
401.23425	1.1
431.19183	1.6
449.20297	4.7
469.29730	6.8
493.31726	2.0
613.35791	2.1
628.31189	1.9
631.35107	14.6
632.35468	2.9
637.32129	4.4
641.31934	1.4
655.34265	2.8
659.32855	100.0
660.33136	18.8
691.35175	10.3
692.34399	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	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	4.0
61.98826	17.1
68.06341	3.1
71.01392	4.6
71.60692	4.3
78.95902	8.6
93.46035	2.5
94.32217	2.4
98.20538	2.9
152.99529	4.6
207.10295	3.3
209.11833	100.0
210.12157	7.4
211.13306	2.7
227.12857	11.8
235.08234	8.5
253.09300	5.8
322.66016	2.9
328.05304	2.7
445.20602	5.7
691.30328	16.0
692.32220	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	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.6
61.98835	100.0
63.58425	4.8
69.94418	9.1
69.94817	16.2
71.01360	6.9
78.95907	11.6
92.92095	4.6
92.99702	4.8
98.01913	5.2
108.20486	6.6
109.06573	13.4
163.13329	4.8
163.48520	4.5
207.10269	24.0
209.11880	13.9
211.13429	44.8
225.11322	17.7
383.47528	5.0
401.23242	11.9
443.19318	6.5
461.19879	8.6
461.91211	4.9
487.34363	8.3
533.73627	5.5
632.84039	5.9
637.32434	28.5
655.33972	26.5
656.33569	7.1
691.32117	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.5
61.98838	26.1
69.67427	17.1
71.01380	6.4
78.95906	6.8
82.92645	2.4
86.53089	2.7
93.71095	2.8
108.95890	2.5
109.06578	4.3
118.30145	2.3
127.89383	2.4
130.24622	2.2
152.99556	5.1
153.05473	2.4
163.11284	4.0
207.10291	5.4
209.11870	100.0
210.12189	8.8
211.13483	14.8
225.11459	4.1
227.12845	11.4
253.09270	8.1
445.20807	4.9
469.33401	4.1
637.32202	10.8
655.32886	6.1
691.30707	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	691.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33112	1.6
57.03443	2.0
59.01185	1.2
59.01394	13.9
61.98839	88.3
65.03940	1.6
70.68140	3.5
71.01388	90.3
73.02950	2.8
80.25234	1.4
82.28762	1.4
83.01381	2.2
83.05053	3.3
85.02965	2.2
87.00904	3.2
89.02448	6.9
89.70535	1.5
96.96032	2.2
97.02944	2.5
98.20009	1.7
101.02498	8.7
109.06624	7.7
113.02455	4.3
119.03493	2.5
122.34509	1.4
125.02496	2.5
125.09732	2.9
127.11350	2.6
137.02461	1.8
152.04784	1.7
155.10808	1.9
161.04581	2.7
163.11320	5.3
165.05580	5.1
167.14539	1.5
169.12396	1.9
171.10287	64.6
172.10600	3.1
181.12370	3.2
183.13898	7.0
185.11853	4.4
197.11909	4.9
199.09764	11.0
199.13460	4.6
201.11363	15.6
207.10269	20.9
209.11835	19.1
210.12230	2.3
211.13405	100.0
212.13728	5.4
215.16545	4.4
225.11383	16.1
227.12936	7.4
235.08325	5.1
243.12546	1.8
245.22743	1.4
253.09312	16.2
301.00018	1.5
373.23755	2.9
383.22476	3.5
401.23471	6.5
415.14984	1.6
415.64078	1.5
419.24350	2.5
447.22525	2.9
461.20331	4.1
469.29443	1.7
493.31818	4.8
599.92535	1.7
609.22162	1.8
609.32697	2.7
619.31232	3.8
620.32910	1.9
637.32202	26.4
638.32678	3.6
655.33441	12.3
659.32959	3.2
673.34137	3.0
691.35626	15.7
692.35474	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	691.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
57.29317	0.4
58.62551	0.5
59.01368	0.7
64.97899	0.5
69.03446	0.9
70.35144	1.9
71.01384	0.6
73.92286	0.4
79.95725	0.9
81.03439	2.5
83.01403	3.3
85.02950	0.5
89.02423	0.6
93.03458	1.3
95.01390	1.1
95.05018	3.3
96.96030	2.3
97.02956	5.4
97.28000	0.5
105.43941	0.4
107.05032	0.6
108.02213	0.9
109.02957	21.2
117.03439	0.6
119.05009	1.3
120.05347	0.5
121.02977	2.6
122.03758	0.9
123.00935	0.9
123.04534	15.7
124.04839	0.9
125.02449	17.1
126.02805	0.5
131.05020	0.4
133.02975	0.6
135.04535	3.7
137.02451	10.3
138.03194	1.1
139.04030	3.8
145.02931	1.4
146.03737	2.6
147.04503	0.5
149.02452	4.2
150.03210	1.5
151.04025	8.0
157.06598	0.5
159.04520	3.1
160.05331	1.5
161.02431	1.8
161.06096	5.0
162.03241	1.2
163.03992	1.6
164.01147	3.4
164.04776	0.8
165.01941	4.0
166.02676	0.7
167.03477	2.0
169.01424	1.3
173.02481	0.8
173.06021	0.9
174.03209	1.4
175.04016	2.7
175.07620	1.6
177.01915	0.8
177.05574	0.9
179.03506	7.6
179.07112	2.6
180.03987	0.6
185.02393	0.8
185.06071	1.0
187.04008	4.7
188.04764	3.5
189.01881	0.6
191.03589	0.8
191.05629	0.7
193.05104	1.3
201.01959	0.7
201.05495	0.6
202.06335	1.8
203.03500	1.4
203.07140	12.7
204.07458	0.7
205.05037	8.2
212.04875	0.6
216.73021	0.5
217.01353	0.5
217.08739	1.1
219.03078	0.6
220.43294	0.6
221.08125	2.6
221.11826	0.6
227.07106	1.6
229.01471	0.7
229.05154	0.6
231.03030	1.4
231.06520	0.5
237.04419	1.1
245.08183	17.5
246.08524	1.5
247.02608	0.6
247.06253	0.9
249.04091	1.3
257.00928	0.5
258.01700	0.7
258.99249	1.4
259.02762	3.4
271.06149	1.0
273.00610	1.0
274.01007	0.5
275.01974	3.7
285.04425	0.6
289.07181	100.0
290.07520	8.1
298.98181	0.6
300.99881	10.6
302.00320	0.9
425.01114	0.5
450.99466	0.9
466.02679	0.8
466.52921	0.5
641.87433	0.6
653.62836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.2
59.27689	1.0
61.98829	1.4
65.00320	1.3
67.01894	4.2
68.99844	0.9
69.63506	6.3
71.01390	5.9
72.99311	1.3
73.02928	1.1
75.00888	1.1
79.01900	3.2
83.01387	2.5
85.02963	3.4
87.00881	1.6
89.02450	2.3
90.96082	0.8
93.03491	0.9
95.01386	8.6
96.96029	4.6
97.02929	1.7
99.00850	1.4
101.02444	2.8
107.01396	9.1
108.02221	1.4
109.02989	1.2
111.00897	7.4
113.02407	1.1
121.02968	2.4
123.00895	36.9
123.04492	1.6
124.01658	3.6
125.02451	35.5
127.00370	3.5
129.01949	1.1
133.02979	1.4
134.03735	1.0
135.04533	1.8
136.01682	1.7
136.98810	6.3
137.02449	2.5
139.00378	15.7
139.03996	2.3
140.01172	12.0
141.01961	3.3
145.02948	1.3
149.02455	4.8
149.06078	1.2
150.03246	10.2
151.00357	9.2
151.03983	2.7
153.01970	1.5
154.99881	1.8
161.02432	1.7
163.11311	3.8
165.02011	1.2
165.05576	6.1
166.06279	2.5
166.99876	8.9
167.03539	1.5
167.07146	2.9
168.00639	29.3
168.99982	2.3
169.01436	44.4
170.01736	2.2
177.04102	4.3
178.14856	0.9
181.01523	1.2
181.08736	1.6
182.02211	1.1
183.02982	5.3
184.03360	0.9
210.01677	1.2
211.02498	13.5
225.04062	2.7
241.03505	2.1
249.08018	5.2
271.04587	9.1
275.02191	1.1
285.06122	1.4
297.06113	2.2
300.99893	2.5
304.85126	1.0
313.05688	1.9
325.30911	0.9
329.05099	3.2
329.12518	1.4
343.13705	1.2
349.89130	1.1
387.16483	4.2
493.13214	2.1
494.14307	25.4
495.14951	6.6
509.16763	2.7
510.17438	1.1
539.17493	9.4
540.18506	1.4
549.16034	9.5
550.16333	1.8
567.17206	2.6
643.20215	7.1
644.20764	1.1
655.20404	2.3
673.21423	20.5
674.21875	3.7
691.22504	100.0
692.22906	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26432	0.3
59.01362	2.7
61.98823	0.3
69.39931	1.5
69.40356	1.4
71.01397	1.3
72.99295	0.4
83.01405	0.6
85.02972	0.4
87.00861	0.4
89.02459	1.2
96.96043	0.6
97.02956	0.3
98.20618	0.4
101.02477	0.5
107.01396	2.0
110.00130	0.3
110.45641	0.4
111.00874	1.9
113.02469	0.5
121.03001	0.3
123.00890	0.8
124.01642	1.8
125.02451	16.9
127.00428	0.6
136.98830	0.9
137.02507	0.4
139.00375	1.6
139.04089	0.5
140.01167	2.5
141.01891	0.3
149.02452	1.0
151.00378	1.4
152.01199	0.3
152.98604	0.6
165.01962	0.8
167.03494	1.5
167.99197	0.5
168.00639	10.9
168.36185	0.3
169.01428	22.9
170.01755	1.0
183.03024	0.4
185.47885	0.3
211.02478	50.9
212.02863	2.1
225.98354	0.3
241.03490	0.6
271.04587	100.0
272.04913	6.6
300.99734	0.5
304.99512	0.3
316.02182	0.7
331.06702	35.8
332.06909	2.2
595.12793	0.6
628.60834	0.3
691.19183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19873	0.9
59.01385	6.1
65.00304	1.2
67.01904	2.6
68.99825	1.1
69.03464	1.2
69.28382	3.9
69.28808	6.6
70.42970	1.0
71.01383	4.7
71.93679	1.0
72.99313	2.6
75.00919	1.0
79.01893	3.4
83.01381	1.5
85.02943	1.5
87.00888	2.5
89.02450	1.2
95.01389	6.1
96.96001	3.3
96.99290	1.1
97.02959	1.1
101.02452	2.8
107.01410	7.2
108.02218	1.5
109.03002	1.5
110.00142	1.4
111.00882	10.1
121.02968	1.7
122.03747	1.9
123.00890	38.2
123.04555	2.2
124.01747	5.3
125.02449	31.3
127.00388	4.5
135.04546	1.4
136.98825	5.4
137.02449	3.0
139.00395	17.7
139.04013	1.2
140.01176	16.5
141.01926	3.5
149.02449	6.0
150.03229	16.6
151.00377	8.8
151.03993	3.0
152.07932	1.0
162.24702	1.1
165.05551	10.6
166.06303	2.1
166.99857	10.8
167.07155	2.0
168.00647	30.0
169.01428	48.1
170.01747	2.0
177.04044	6.7
180.04292	2.0
181.01405	1.5
181.08734	1.7
182.02185	1.7
183.02950	5.1
190.02821	1.1
211.02486	14.9
225.04037	3.6
241.03586	1.6
249.08070	2.9
271.04636	5.7
275.01987	7.5
283.04611	1.0
285.06326	1.8
297.06168	2.4
301.00052	1.1
313.05576	1.9
329.05127	3.4
329.12335	1.6
387.16803	3.6
395.42938	1.2
493.13611	3.2
494.14352	34.9
495.14944	10.9
509.16675	3.8
539.17566	8.1
540.18066	2.5
549.16064	6.5
550.16595	1.6
567.16888	1.7
643.20337	11.6
644.20166	2.4
647.24316	1.3
655.20294	4.5
656.20508	1.4
673.21344	28.1
674.21912	4.1
691.22510	100.0
691.35480	4.7
692.22943	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76383	1.0
58.19603	1.1
59.01381	52.2
67.01858	1.5
71.01382	12.3
72.99266	1.8
83.01347	1.8
85.02946	2.7
87.00871	1.5
89.02448	11.9
95.01366	3.0
96.96021	7.9
101.02441	10.5
107.01379	5.0
111.00841	2.1
113.02436	4.8
115.04887	1.1
119.03480	4.6
123.00881	11.1
124.01662	2.5
125.02455	26.6
131.03510	1.2
136.98796	1.9
139.00356	4.4
140.01152	2.3
141.01868	2.0
151.00366	5.5
163.11243	4.8
168.00621	5.5
169.01430	25.2
170.01802	1.3
207.10298	16.8
208.10449	1.2
211.02554	8.7
217.93242	1.5
222.37729	1.2
228.89839	1.0
271.04794	6.2
296.04367	1.2
313.05881	1.9
369.15662	1.7
387.16617	50.4
388.16821	5.1
479.15585	6.1
521.16882	2.1
539.17639	70.1
540.18207	8.5
631.16547	2.7
673.18158	1.5
691.18683	100.0
691.34967	5.9
692.19263	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19193	0.7
58.61262	0.7
59.01384	7.1
61.98833	25.9
64.07750	0.8
64.61394	0.7
66.58260	0.6
69.46055	1.9
69.46469	4.3
71.01389	10.1
72.74029	0.7
72.99343	1.0
73.02936	2.3
75.21941	0.8
78.95892	1.8
80.02686	1.9
81.03470	1.1
82.61012	0.7
83.01463	0.7
83.05025	4.2
85.02956	1.4
87.00861	1.3
88.98817	1.5
89.02444	3.1
96.96003	1.3
101.02436	2.8
109.06563	1.5
111.04485	1.0
112.92107	0.9
113.02457	2.2
125.02452	0.9
125.06110	0.9
130.39528	0.8
135.08209	0.8
147.68120	0.8
161.04587	2.0
163.11293	4.2
165.05356	1.1
165.12785	1.5
167.14366	0.8
169.12354	1.2
171.10300	5.4
179.05568	1.0
181.12297	1.1
183.13924	6.3
191.10826	1.8
193.12309	1.5
197.11856	1.4
199.13412	0.9
201.11308	2.1
207.10246	3.0
209.11842	100.0
210.12230	6.7
211.13416	99.6
211.15027	1.2
212.13722	6.9
212.57330	0.8
225.11353	3.0
227.12900	18.3
235.08211	4.4
253.09291	10.4
259.15573	1.3
269.16519	0.8
295.57758	0.8
312.72717	0.8
403.24478	1.3
445.20810	2.1
447.22363	5.9
467.31628	1.3
491.30020	1.5
621.32977	1.0
629.38934	1.8
671.32874	1.1
689.34180	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	689.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
57.03443	4.4
58.00604	4.4
59.01385	89.3
61.98834	93.6
71.01389	89.9
71.05016	2.9
71.60402	4.2
72.99314	15.1
73.02943	10.5
75.00863	2.6
83.01385	9.8
85.02962	29.6
87.00880	88.2
88.98824	6.5
89.02448	57.6
95.01416	4.3
96.96011	20.8
97.02985	3.1
99.00877	5.8
99.08176	2.8
101.02448	60.5
101.06087	2.9
103.03965	2.9
109.06598	2.8
113.02462	32.8
119.03507	32.6
123.00876	3.3
123.04503	3.0
123.08118	5.8
125.02444	16.8
125.09723	4.9
128.81895	2.5
136.56081	2.4
143.03514	7.6
148.74194	2.3
151.07549	2.2
151.11337	4.2
152.83244	2.4
159.02917	5.0
161.04597	11.7
163.11255	7.6
165.05615	5.3
167.03485	2.8
167.07040	2.5
168.13742	2.4
169.01443	5.2
171.10268	19.8
179.05595	12.3
181.12358	3.4
185.11818	5.7
197.11871	12.8
199.13434	3.1
201.11317	11.0
207.10283	13.5
209.11824	56.5
210.12155	6.4
211.13383	5.2
225.11340	25.8
227.12912	12.4
235.08195	3.0
253.09521	5.5
340.49484	2.5
379.13464	2.6
439.34567	25.4
440.34613	3.4
443.19122	2.5
461.20255	4.7
491.30142	3.2
601.39789	100.0
602.40240	15.3
611.37299	4.6
627.29620	5.1
629.38654	8.2
629.91394	2.6
645.38702	76.8
646.38690	11.6
671.32916	10.4
689.33368	32.8
690.36499	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03457	3.2
59.01382	15.8
59.44335	1.5
61.98524	2.6
61.98833	41.3
69.03468	2.2
70.19888	5.1
71.01382	22.6
72.99307	7.3
73.02937	4.5
75.00885	2.6
81.03439	1.6
83.01377	3.5
83.05017	5.3
85.02950	8.0
87.00877	13.3
89.02437	7.5
95.01328	3.0
95.05025	2.7
96.96012	4.6
97.02952	2.0
97.06622	2.4
99.00869	3.1
99.04456	1.4
101.02438	11.8
109.06592	5.2
113.02445	7.8
119.03481	2.0
123.08161	1.8
125.02441	5.3
127.11253	1.7
135.08214	1.7
143.03484	1.5
151.07689	1.8
151.11314	1.5
161.04510	4.0
161.09720	2.4
163.11308	7.9
165.12877	4.4
168.59419	1.4
171.10266	51.7
172.10580	3.9
179.05632	2.8
179.10703	2.2
181.12344	5.0
181.72112	1.4
182.27997	1.3
183.10251	2.0
183.13754	1.8
185.11853	4.4
191.10783	2.5
197.11819	14.3
198.12167	2.9
199.13429	13.8
201.11310	10.6
207.10283	17.0
209.11832	100.0
210.12158	9.7
211.13383	5.0
225.11327	33.0
226.11516	1.6
227.12895	23.8
235.08189	4.9
243.12245	7.2
253.09235	11.2
421.08755	1.4
439.34195	4.1
443.19571	2.1
461.20642	7.6
483.44229	1.4
601.40271	7.1
606.50299	1.7
607.55383	1.8
627.29962	1.8
629.38782	6.3
630.39374	1.8
635.30505	1.9
645.29211	2.4
645.40002	8.4
653.31366	2.4
671.32886	9.5
689.33582	36.5
690.33801	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	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85422	0.8
53.00320	0.9
58.00576	1.1
59.01384	7.9
61.98837	1.4
69.03450	1.1
69.63988	2.2
69.64402	2.9
71.01389	55.7
71.53717	0.8
73.02939	4.1
78.95904	2.3
81.03464	2.4
83.05030	5.4
84.02177	1.1
85.02947	2.7
87.00889	1.3
89.02445	2.2
93.54163	0.7
95.05035	1.8
95.74208	0.7
97.02950	2.0
97.06597	1.5
99.00867	2.6
101.02446	5.8
102.95435	0.8
109.06602	9.9
113.02467	2.5
119.03517	1.2
119.80225	0.7
121.06559	0.9
125.06113	0.9
125.09720	3.1
127.11297	1.7
135.08128	2.4
137.31734	0.7
139.19992	0.8
142.02731	1.0
149.09708	0.9
155.10818	1.7
161.04599	1.5
161.09721	1.2
163.11305	11.7
165.12859	2.6
167.10825	1.0
171.10271	32.2
172.10646	2.0
181.12343	3.8
185.11821	2.2
191.10794	1.4
197.11885	1.5
199.13380	2.0
201.11317	18.0
207.10278	20.9
208.10536	1.3
209.11832	100.0
210.12141	4.8
211.13469	1.5
215.12865	1.3
225.11317	33.1
226.11736	1.6
227.12878	13.6
228.13139	1.3
235.08223	3.7
243.12335	3.4
251.12872	2.5
253.09306	9.8
277.09171	1.0
281.13809	0.8
318.37192	0.8
393.33301	0.9
399.21814	1.0
417.22931	2.0
443.18628	1.4
445.20505	0.9
461.20288	6.1
471.95123	0.9
479.21454	1.1
545.01886	1.1
557.99963	1.0
653.31757	2.4
654.31818	1.2
671.32861	3.0
672.33392	1.4
689.33948	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	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.1
58.53624	0.8
59.01390	6.7
69.71758	0.8
71.01392	43.8
71.05003	0.9
73.02953	3.3
81.03465	2.4
83.05009	6.8
85.02966	1.9
87.00888	1.7
89.02453	2.5
94.95798	0.9
95.05012	2.0
95.18880	0.9
97.02942	1.5
97.06605	0.9
99.00894	1.1
101.02427	2.9
109.06630	5.4
113.02477	2.1
125.09708	1.8
127.11279	1.1
135.08171	1.4
155.10738	1.5
163.11328	7.7
165.09358	0.9
165.12894	2.5
171.10294	33.8
172.10580	1.6
179.10860	1.1
181.12335	4.0
185.11806	2.4
189.09186	2.2
197.11836	1.5
199.13484	0.9
201.11357	18.4
202.11653	1.3
207.10275	15.8
208.10649	1.0
209.11852	100.0
210.12144	4.9
215.12885	1.9
225.11339	23.6
226.11682	1.9
226.82059	1.0
227.12906	10.0
233.11987	1.0
235.08287	2.7
243.12361	3.1
251.12944	2.1
253.09293	8.5
373.41104	0.9
399.21765	1.4
443.19003	1.0
445.20624	1.0
461.20248	3.7
479.20935	1.8
624.48413	1.0
653.31720	2.4
671.32739	2.4
689.33582	4.2
696.26538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
61.98809	4.4
71.01384	60.7
74.12865	3.2
78.61301	2.8
78.95903	12.7
83.05040	8.5
84.49792	3.3
91.46648	2.9
98.19897	7.2
101.02460	5.5
109.06606	10.5
113.02486	3.5
117.31501	3.2
119.48920	2.8
124.87315	2.9
136.78909	2.9
152.99503	4.7
163.11299	12.7
171.10295	31.1
181.12372	4.5
201.11319	15.0
207.10271	23.1
209.11836	100.0
210.12250	4.5
211.13390	13.9
223.13411	8.9
225.11375	25.3
227.12897	12.7
253.09274	10.8
385.42676	3.3
461.20261	5.4
567.94067	3.9
594.63220	3.7
671.32526	4.0
689.33234	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	689.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
65.00305	0.6
67.01885	1.7
69.03449	1.3
69.67371	3.9
71.01378	4.0
72.99290	0.8
75.34005	0.5
79.01900	1.3
80.68066	0.6
81.03445	0.7
83.01398	1.5
85.02956	1.6
87.00878	1.4
89.02427	1.2
95.01384	3.4
95.60837	0.6
96.96030	1.0
97.02966	1.6
98.20601	1.2
101.02444	1.6
101.79015	0.6
107.01404	9.2
107.32919	0.7
110.00089	1.1
111.00883	3.3
113.02459	1.1
121.02912	0.7
123.00893	15.8
124.01711	3.2
125.02451	47.2
126.02773	1.0
127.00373	1.4
136.05295	0.7
136.98824	2.0
139.00388	6.5
139.04018	0.9
140.01169	6.3
141.01892	1.9
141.26819	0.6
150.06750	0.6
151.00365	8.2
151.03976	0.7
153.01947	1.5
154.99840	0.6
161.02432	0.8
163.04008	0.7
163.07845	0.6
165.02020	1.0
165.05472	0.9
165.09259	0.6
166.99800	0.9
167.03436	0.8
168.00648	9.5
169.01428	53.2
170.01778	2.2
175.03918	0.9
179.03462	1.1
193.01418	1.4
201.02177	0.6
211.02483	8.5
214.54045	0.6
219.83353	0.6
223.13377	0.7
237.04126	0.6
241.03583	0.7
258.66922	0.6
271.04645	4.8
295.04593	1.4
297.06146	0.9
300.02496	0.6
301.00021	1.6
313.05713	4.6
329.14056	0.7
390.38425	0.6
467.47501	0.7
483.08118	0.6
519.18896	3.8
520.19116	0.8
527.32904	0.7
537.19757	6.8
688.33307	2.2
689.21051	100.0
689.34015	14.7
690.21332	17.7
690.34290	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	687.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04202	1.0
57.03458	2.7
59.01398	1.3
62.64287	1.1
65.00323	3.5
78.95931	1.3
81.03458	16.3
83.01369	2.5
89.54718	1.2
95.01350	1.4
107.01440	1.9
123.04546	4.2
124.01689	2.0
125.02435	8.4
135.04478	1.6
151.00378	3.4
152.01172	4.2
163.85088	1.2
166.02687	3.0
167.03494	1.8
179.03471	3.9
205.15926	2.1
209.11754	1.6
229.16023	1.5
229.68785	1.7
252.32683	1.2
287.20181	13.8
311.20135	4.8
331.19144	100.0
332.19449	11.1
355.19138	70.8
356.19473	9.5
518.94104	1.3
579.13440	1.4
647.78375	1.3
687.41534	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	689.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60364	0.2
67.84085	0.2
69.03447	0.2
69.66135	0.5
69.66541	0.8
71.05027	0.8
79.95715	1.2
80.36221	0.2
85.06615	0.5
87.84324	0.2
96.96015	100.0
97.62514	0.2
97.95941	0.4
109.02966	0.3
113.09734	2.7
115.11273	0.3
125.02425	0.3
141.09192	0.5
145.33487	0.2
151.04071	0.2
157.08733	0.3
159.10277	10.6
160.10580	0.5
169.01416	0.3
231.37782	0.2
239.05957	83.5
240.06271	3.2
275.01999	0.3
295.00043	0.2
297.36029	0.2
300.99811	0.6
389.49170	0.2
428.59991	0.2
486.70251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03445	1.1
59.01385	8.9
61.98835	2.6
62.01668	0.4
67.01891	0.5
69.03455	5.9
71.01386	9.3
71.05028	2.0
72.99329	0.7
73.02949	1.7
75.00860	0.5
80.02689	1.6
81.03464	2.8
83.01393	2.2
83.05032	7.1
84.02177	0.8
85.02966	2.5
87.00871	4.2
89.02448	4.6
95.01393	1.1
95.05035	1.5
96.96007	0.5
97.02956	0.7
97.06599	1.6
98.19857	1.2
99.00862	0.7
101.02456	5.9
109.02962	0.5
109.06642	0.8
111.04509	0.6
113.02454	3.9
119.03496	1.9
121.82072	0.5
123.08175	1.7
125.02467	1.4
125.06075	1.4
125.09732	2.6
135.08185	1.1
143.03447	0.5
149.06085	0.5
149.09723	0.7
151.11313	2.9
153.12889	1.3
161.04565	1.6
161.09727	4.4
163.11288	6.2
165.05560	0.5
165.12851	3.3
171.10278	1.7
179.05664	0.7
179.10791	9.8
180.11127	0.5
181.12337	1.3
191.10788	1.5
197.11839	52.6
198.12222	3.2
205.08521	0.5
207.10179	0.6
209.11844	78.4
210.12184	4.7
223.09740	2.0
225.11325	1.0
227.12894	6.0
228.13127	0.6
241.10860	2.4
253.09274	3.9
401.40137	0.5
437.32828	1.3
459.18689	1.1
477.19693	2.5
478.20267	0.5
599.38159	4.3
600.37823	1.0
611.34161	0.5
643.37244	2.3
644.37628	0.7
669.30890	1.4
670.31396	0.6
687.32318	100.0
688.32715	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	687.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01388	11.7
61.91117	0.5
61.98832	4.3
69.03451	1.3
69.87686	3.5
71.01389	5.1
72.99283	0.8
73.02935	0.8
73.67812	0.6
75.00894	0.8
78.48559	0.6
78.95896	1.0
83.05019	1.4
85.02971	1.6
87.00893	1.2
89.02443	2.4
95.05014	0.7
97.06610	0.9
98.39498	0.6
101.02461	3.3
109.06629	1.2
111.04536	1.0
113.02446	2.2
125.02462	0.9
145.05112	0.6
161.04576	0.8
163.11278	1.4
167.76833	0.5
168.05576	0.5
169.12323	6.3
171.10294	4.9
179.10800	1.2
183.13914	6.4
185.11778	1.0
193.12346	2.0
197.11839	100.0
198.12195	6.5
199.09697	0.7
207.10297	2.2
209.11842	27.5
210.12230	1.9
211.13409	96.1
212.13768	6.0
223.09767	2.0
225.11357	2.2
227.12921	2.7
235.08238	4.3
253.09328	7.5
397.55276	0.6
415.20087	0.9
433.20694	6.8
447.22479	8.6
465.68091	0.7
583.30780	0.7
609.33075	2.5
627.33917	1.0
655.33484	0.9
669.31378	1.1
687.32629	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	687.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01384	3.1
61.98820	1.3
67.01898	0.4
70.04597	1.6
71.01394	1.4
71.05013	0.5
73.02949	0.8
75.00886	0.8
83.01375	0.7
83.05029	1.1
85.02961	1.9
87.00886	2.7
87.04520	1.0
89.02457	1.2
93.03467	1.0
95.01412	1.0
95.05032	1.1
96.96018	3.7
97.02953	0.4
97.06612	3.7
99.04530	1.2
101.02448	0.8
107.01402	1.1
107.05032	0.7
109.02935	0.5
109.06595	7.7
111.00912	0.6
111.04542	1.3
111.08154	1.7
113.02487	0.4
113.09659	0.4
119.03559	0.5
120.01265	0.5
121.02945	0.6
121.06606	0.9
122.03780	0.7
123.00913	2.6
123.04530	1.6
123.08173	9.8
125.02457	5.3
125.06075	1.0
125.09758	1.0
127.07669	1.0
135.04503	1.2
135.08179	7.7
136.05313	20.0
136.99191	0.6
137.02469	0.6
137.05734	0.6
137.09711	0.5
138.06889	4.0
139.00386	1.2
139.03958	0.7
139.07648	1.0
140.01138	0.8
141.09212	3.5
145.03000	0.4
148.05344	0.9
149.06088	4.6
149.09743	1.1
150.06880	6.6
151.00395	2.2
151.07645	1.0
153.09225	17.1
154.09549	0.7
161.02386	0.5
163.04073	0.4
163.07658	1.6
164.08432	1.0
165.01920	0.8
165.09215	15.6
166.09514	1.0
168.00589	1.0
169.01434	5.9
171.10278	0.6
179.03453	0.5
179.07101	0.8
187.08069	1.0
187.09770	20.8
188.10204	0.8
202.29251	0.5
207.10289	1.1
211.02475	0.8
217.10822	39.7
218.11160	1.4
231.12413	3.1
257.00885	0.6
271.04681	0.9
275.01968	1.1
277.18240	0.6
292.16623	0.5
299.99057	0.8
300.10153	0.5
300.99915	4.7
303.05096	0.5
307.19278	2.5
313.05634	0.5
322.17896	0.7
323.18253	0.4
336.19580	0.7
337.20178	5.6
338.20602	0.5
341.19675	1.5
350.21115	0.5
407.25797	0.6
425.26843	2.8
426.27219	0.5
443.28119	1.2
489.28574	1.2
495.29691	0.7
506.28906	0.7
507.29605	11.4
508.30206	1.9
525.20038	2.3
525.30261	3.3
535.31378	0.5
669.34937	7.7
670.35541	1.1
687.35968	100.0
688.36334	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49694	0.7
59.01383	5.3
69.03455	4.6
69.29080	1.9
69.29499	5.2
71.01394	4.9
71.05033	1.4
73.02934	1.0
80.02675	1.0
81.03456	1.1
83.01372	0.9
83.05025	5.2
84.02156	1.5
85.02969	1.2
87.00897	0.8
89.02454	2.7
93.03514	0.7
95.01385	0.8
97.06593	1.2
98.20583	1.4
99.00876	0.8
101.02450	3.9
101.03022	0.7
102.36655	0.7
109.06609	0.6
109.97789	0.6
113.02438	1.2
123.08175	1.0
125.06086	0.7
125.09735	1.8
135.08138	1.0
143.35681	0.6
150.42146	0.7
151.11302	2.3
153.12836	1.4
161.04514	1.2
161.09714	3.6
163.11284	3.3
165.12875	2.3
179.10805	8.9
191.10765	1.2
197.11842	67.7
198.12184	3.6
203.84030	0.7
209.11850	44.5
210.12170	3.5
227.12914	3.5
241.10925	4.1
253.09299	2.7
291.39767	0.7
357.12842	0.8
396.84235	0.7
459.19147	0.9
477.20004	3.9
669.30920	0.8
687.32367	100.0
688.32690	19.8
688.43805	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	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14202	2.0
57.03432	1.6
59.01391	17.1
61.98838	15.5
71.01397	14.7
72.99290	1.9
73.02929	2.2
75.00864	1.5
75.88716	1.7
80.02655	1.6
81.03429	3.3
83.05042	8.4
85.02945	2.7
87.00874	4.5
89.02433	6.9
96.96043	1.7
97.02963	3.0
97.06571	1.6
98.20672	2.8
101.02416	6.9
109.02970	1.7
111.04514	3.3
113.02437	6.7
119.03519	2.5
120.00337	1.6
123.00848	2.6
123.04543	2.2
125.02419	6.9
125.09708	1.9
135.08240	1.8
137.02423	1.6
139.03993	2.4
151.11249	3.1
153.12878	1.7
161.04597	3.6
161.09660	3.1
163.11250	4.5
165.12817	3.5
165.66606	1.4
169.01425	8.9
169.12337	15.9
171.10268	13.5
177.09052	1.9
179.10727	2.2
189.94693	1.4
193.94464	1.5
195.10211	3.8
197.11845	33.1
198.12108	1.9
199.18022	1.9
201.11360	1.6
205.08687	3.1
207.10129	4.4
209.11850	100.0
210.12103	5.6
215.12517	1.8
217.81035	1.7
223.09727	10.1
225.11252	5.4
227.12918	13.0
235.08067	2.2
253.09328	8.4
289.02478	1.7
312.44940	1.6
316.02243	3.3
317.02756	4.5
318.02829	5.3
319.83170	1.7
397.04642	2.0
643.36926	3.5
669.31152	5.0
687.19995	3.6
687.32251	88.5
688.32635	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	687.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76669	0.8
55.01867	0.8
57.03446	1.3
58.00593	0.7
58.82215	0.6
59.01384	6.7
61.98829	2.8
63.25053	0.6
63.66186	0.6
68.99807	4.5
69.03453	2.0
71.01389	11.2
72.99309	1.6
73.02937	1.0
80.02663	1.1
81.03467	1.9
83.01376	1.5
83.05029	6.2
84.02161	1.0
85.02958	1.5
85.67608	0.7
87.00870	1.6
89.02466	3.5
95.01392	1.1
95.05006	1.7
97.02953	2.1
97.06604	1.6
99.00848	0.8
101.02473	4.3
109.02988	0.8
109.06605	1.7
110.03738	1.0
111.04532	6.5
111.08133	1.3
113.02454	2.9
119.03509	1.0
122.03748	1.4
123.04539	1.3
123.08160	1.3
125.06073	1.0
125.09734	2.9
127.11195	0.8
135.08170	1.5
137.09775	0.9
139.46783	0.6
149.09712	1.1
151.11284	1.6
153.09239	2.0
161.04622	1.3
161.09737	3.4
163.11273	5.6
165.12857	2.4
169.12270	0.7
170.47334	0.6
171.10278	39.8
172.10609	1.8
177.09210	2.2
179.10788	5.2
180.34688	0.6
183.52829	0.7
185.11888	3.2
186.82350	0.7
187.09727	0.7
191.10695	1.2
195.10193	0.8
197.11911	3.2
199.09732	1.3
201.11391	1.9
205.08696	9.2
205.12193	1.0
207.10252	4.0
209.11839	100.0
210.12172	7.2
213.11365	3.4
217.25444	0.8
221.11694	1.0
223.09775	26.8
223.13376	2.8
224.10097	2.2
225.11353	2.9
227.12895	13.0
227.15105	1.2
228.13225	1.2
235.08177	3.6
241.10846	2.7
253.09299	9.2
268.98083	0.6
405.17664	1.3
407.19235	1.6
415.21313	1.2
441.17551	1.1
445.20792	1.3
459.18332	3.6
477.19806	1.4
581.29456	0.9
607.19318	0.7
633.29175	1.3
643.29816	1.2
651.30127	4.0
652.32245	0.8
669.31372	6.2
670.31946	1.9
687.32434	14.5
688.32477	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	687.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01385	10.6
61.98838	5.1
64.04643	1.0
67.01911	0.9
69.29172	2.4
69.29585	7.4
71.01390	13.7
72.99305	3.3
73.02942	1.8
75.00883	15.0
80.02685	1.9
81.03439	1.9
83.05045	6.3
84.02182	1.4
85.02957	13.1
86.03373	0.9
87.00906	5.3
89.02426	1.9
95.01385	3.1
97.06583	1.1
98.20720	1.0
98.55901	0.9
99.00901	7.2
101.02474	1.5
103.00377	1.4
105.57572	0.9
109.06620	1.0
113.02462	16.7
114.02757	1.3
115.00379	2.1
117.01942	2.6
125.02417	1.3
125.09689	1.1
129.02003	1.2
163.11334	6.0
165.12859	3.1
171.10228	2.8
175.02454	2.7
181.12314	1.7
191.10715	1.5
197.11824	4.2
199.01862	1.5
209.11847	75.9
210.12138	4.2
225.11331	2.0
227.12886	6.0
249.06053	1.5
249.49034	1.0
253.09312	1.2
272.45178	1.0
459.18741	2.3
477.19516	3.0
487.34335	22.2
488.34616	5.3
489.34741	3.7
669.31659	2.3
687.32214	100.0
688.32562	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	687.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03439	1.6
58.00581	0.8
59.01389	19.4
61.98837	8.4
64.04653	0.7
65.00294	0.9
67.01897	1.0
69.03446	1.3
70.59962	0.6
71.01396	10.8
71.61089	1.0
72.99276	2.0
73.02964	3.7
73.03289	0.9
78.95898	0.8
79.01872	1.4
83.01373	1.3
83.75229	0.7
85.02959	3.3
87.00879	4.5
89.02447	3.4
95.01371	2.7
95.04971	0.8
96.95993	2.4
96.97072	0.6
97.02927	1.3
99.00866	1.0
101.02453	6.9
107.01427	6.0
109.02911	2.5
111.00893	3.4
113.02471	3.9
116.92801	1.5
117.03426	0.9
119.03465	1.7
121.02959	1.2
123.00114	1.1
123.00902	14.1
123.04458	2.1
123.08109	1.2
125.02457	26.3
126.02717	0.7
127.00359	1.6
127.11281	0.7
133.02933	1.2
135.04501	1.4
136.01617	1.0
136.05257	1.0
136.98793	2.1
137.02429	2.0
137.06058	1.1
139.00380	4.3
139.03886	1.0
139.07625	0.8
140.01105	2.9
141.01884	2.0
145.02898	0.9
147.04504	0.8
149.02374	1.1
149.06013	1.4
150.03192	1.1
150.06862	4.1
151.00389	7.9
151.03975	2.9
152.04800	3.4
153.01860	1.0
153.05534	1.7
161.02446	1.1
161.04518	0.9
163.00386	1.0
163.03943	1.3
163.07648	1.7
164.08369	0.8
165.01825	1.2
165.05469	3.0
166.99718	0.7
167.03441	1.6
168.00690	4.8
169.01434	35.1
171.10252	1.4
173.05963	1.0
175.03967	1.0
178.99762	0.9
179.03493	1.6
179.07176	1.0
179.10675	2.8
190.02696	1.9
193.05011	1.0
201.01974	1.0
203.03520	1.0
209.11757	2.3
210.12201	0.7
211.02470	8.3
213.05539	1.2
217.01151	0.7
229.01372	1.0
231.02866	0.8
241.05132	4.0
243.29085	0.7
249.03905	1.4
256.07224	2.1
257.00873	1.3
271.02090	0.8
271.04962	3.4
271.09729	6.3
274.01233	1.6
274.24994	0.8
275.02005	5.7
277.21725	1.4
286.33554	0.8
300.02481	1.0
300.99985	15.0
301.03360	2.7
301.06906	0.9
302.00177	1.3
313.05685	1.4
313.23538	0.8
319.11749	1.6
331.00769	1.4
344.12347	1.9
359.15045	5.9
373.25717	2.8
396.20313	0.8
411.16910	0.9
436.27432	1.0
437.28833	1.7
444.03229	0.8
463.29996	0.9
464.31064	1.4
475.03488	4.6
493.05795	2.5
494.06564	0.8
525.34064	1.4
535.23828	0.9
535.31299	12.5
536.31482	2.0
599.34308	1.6
625.31830	2.4
627.20099	1.2
627.30151	19.0
628.30243	2.2
643.37195	1.4
669.31586	2.4
687.32013	100.0
688.32446	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32191	0.5
59.01384	5.5
61.98837	4.6
67.01913	0.6
69.55856	2.0
69.56265	1.1
71.01392	3.1
72.85622	0.5
72.99361	0.6
73.02981	0.9
75.00921	0.5
83.01412	0.8
85.02956	0.9
87.00909	1.2
88.98815	0.5
89.02505	1.3
91.40417	0.5
95.01432	1.1
96.96033	1.8
97.52543	0.4
101.02462	2.3
107.01402	2.4
109.02978	0.8
111.00892	0.6
113.02465	1.3
116.92874	1.1
120.99665	100.0
122.00011	1.6
123.00896	3.5
123.04576	1.0
123.08195	0.5
124.01695	0.5
125.02451	9.1
129.02046	0.5
132.69093	0.5
135.04532	0.6
136.01636	1.5
137.02461	0.6
138.03253	0.4
139.00348	1.1
140.01137	0.7
141.01939	0.6
145.02896	0.6
149.02390	1.1
149.06033	0.5
150.03210	0.6
150.06847	2.7
151.00348	3.7
151.03987	1.4
151.07664	0.6
152.04880	2.3
152.05876	0.6
153.05562	0.6
161.02423	0.6
161.04483	0.5
162.03059	0.4
163.04089	0.5
163.07603	1.3
163.11101	0.5
164.08356	0.6
165.01889	1.3
165.05530	1.8
168.00598	1.2
169.01437	10.7
171.10252	0.6
174.30464	0.5
175.03952	1.0
177.09137	0.5
178.99799	0.8
179.07147	0.8
179.10812	2.4
181.05051	1.1
185.02335	0.7
188.32573	0.5
192.99664	0.5
193.01299	0.7
195.06563	0.5
201.01865	0.6
201.11298	0.5
207.10194	0.5
209.11923	2.1
211.02354	1.6
213.05563	0.7
218.20358	0.5
223.04097	0.8
227.12724	0.6
229.01395	1.1
229.79405	0.5
241.05168	4.7
255.02742	0.9
256.07401	3.8
260.83304	0.4
271.04691	0.7
271.09769	5.7
272.09698	0.5
274.01089	0.8
275.01678	1.4
300.02435	0.9
300.99609	5.9
301.03238	8.5
302.00189	0.6
313.05432	0.6
319.11548	1.4
360.02853	0.5
373.07385	0.8
373.25500	0.6
417.14871	0.9
475.02744	0.9
479.33447	0.5
489.31357	0.5
525.33215	2.0
535.30292	1.7
627.30145	2.7
643.36420	0.5
669.30408	0.9
687.16119	2.6
687.30811	18.9
688.18231	0.5
688.31665	2.3
705.30658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79359	0.6
57.03450	2.1
59.01384	6.4
61.98835	3.7
69.36945	4.7
71.01390	6.1
72.99327	0.7
73.02931	1.4
78.01237	0.6
79.01895	0.9
79.95758	0.8
82.42366	0.7
83.01380	1.1
85.02963	2.2
87.00885	6.3
87.04554	0.9
89.02436	3.4
95.01389	2.6
96.96018	4.0
97.02988	0.8
97.06608	1.8
98.19875	1.2
99.04562	1.1
101.02454	4.7
107.01398	3.6
109.02983	0.8
109.06606	4.7
111.00893	1.6
111.04530	1.0
113.02448	2.2
116.92905	0.6
119.03491	1.9
119.05006	1.4
120.01263	2.6
123.00905	9.6
123.04561	0.6
123.08184	4.8
124.01682	1.0
125.02463	16.4
135.04538	1.8
135.08168	4.7
136.05301	4.0
136.98969	1.9
137.02461	1.4
138.06868	1.4
139.00403	2.8
139.04070	0.6
140.01173	2.3
141.01996	0.9
141.09204	1.6
145.02985	3.2
147.04509	1.6
149.06122	1.1
150.03215	1.6
150.06895	1.2
151.00395	5.2
151.03995	1.2
151.07707	0.7
153.01958	1.0
153.09222	8.2
154.98192	0.6
157.02933	1.0
159.04506	2.0
161.02457	0.7
163.00356	0.7
163.04007	1.3
165.01958	0.9
165.05559	1.0
165.09245	4.7
167.03456	1.3
168.00655	4.9
169.01443	18.7
173.02435	1.6
173.08249	0.7
175.04001	2.0
177.01985	1.1
177.05333	0.7
185.02440	2.1
187.04085	0.9
187.09789	10.2
191.03497	1.9
195.06668	0.9
200.01244	1.1
201.01921	2.1
201.11333	0.6
203.03537	6.2
211.02484	7.9
213.01917	1.3
214.02684	0.9
216.00662	1.1
217.01392	1.0
217.10815	24.4
221.04555	1.0
229.01427	6.0
231.03018	6.6
231.12433	1.2
233.08307	1.5
236.06906	1.2
245.00984	1.6
247.02420	0.8
249.04037	10.4
250.04622	0.8
251.09198	3.4
257.00949	4.8
257.04434	1.0
258.01700	2.0
259.02505	0.8
271.02298	1.4
271.04700	9.9
273.00409	1.0
275.01971	22.4
276.02423	1.4
283.99680	2.3
287.02066	1.0
299.99127	29.6
300.99915	100.0
302.00229	6.5
307.08301	0.7
307.19116	0.7
313.05762	1.2
314.11401	0.7
316.02252	4.2
317.02805	0.9
331.06573	1.1
337.20154	3.2
373.18799	2.5
421.04346	1.0
435.27286	0.9
436.28030	0.7
463.05127	1.0
471.19019	0.8
479.08548	0.8
481.05881	0.8
481.20743	3.4
487.21863	0.8
507.18817	7.4
507.29858	1.7
508.19250	0.9
525.19861	28.7
526.20258	3.0
543.24762	0.8
567.20526	1.1
578.80597	0.8
625.11890	4.0
643.16919	0.6
669.35272	3.1
686.33936	0.9
687.15881	47.6
687.34808	38.7
688.15717	7.3
688.34937	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	687.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.8
57.03443	2.5
57.97205	0.7
59.01383	8.4
61.56121	0.7
61.98822	3.3
62.30717	0.7
62.97272	0.7
69.37566	6.5
69.37886	1.3
69.38091	0.8
71.01395	8.3
72.99295	0.9
73.02951	1.4
77.78963	0.7
79.01878	0.7
81.03437	0.8
83.01372	1.2
85.02962	2.4
87.00883	4.7
88.01208	0.7
89.02454	5.1
95.01383	3.1
95.66904	0.7
96.96033	3.2
97.02962	1.0
97.06599	1.6
99.00873	0.9
99.04530	0.8
101.02445	5.8
107.01374	4.3
109.02962	0.7
109.06622	4.2
111.00887	2.1
111.04532	1.3
113.02455	3.7
113.50591	0.6
116.92878	0.9
117.06586	0.7
119.03486	1.5
119.05058	0.9
120.01250	3.0
123.00893	12.1
123.08155	4.0
124.01685	1.5
125.02457	18.5
135.04529	2.2
135.08142	3.9
136.05315	5.0
136.98921	2.2
137.02458	1.6
138.06828	1.6
139.00407	3.5
140.01151	2.7
140.63699	0.7
141.01915	1.5
141.09235	1.6
145.02977	1.9
147.04556	1.2
149.06107	1.3
150.03200	1.3
150.06862	2.3
151.00391	7.9
151.04021	1.1
151.07535	0.8
153.09230	7.5
157.02869	0.9
159.04482	1.3
161.02483	1.3
161.06125	0.7
163.03969	1.1
165.05647	1.3
165.09178	4.1
167.03494	1.3
168.00610	5.1
169.01436	25.4
173.02391	1.6
175.04016	2.8
177.02008	1.4
177.04054	0.7
179.03520	1.3
185.02457	2.2
187.09764	9.8
187.90549	0.7
191.03508	1.8
193.12347	1.0
200.01114	1.0
201.01945	2.1
203.03430	6.1
205.05090	0.8
211.02470	12.2
213.01927	0.9
217.10820	22.1
219.02953	0.7
221.04626	0.8
226.99936	0.7
229.01471	6.1
230.01849	1.0
231.02914	4.3
231.12283	1.0
233.08206	1.1
236.06929	1.1
244.00050	1.7
245.00919	1.6
249.04059	9.7
250.04494	1.5
251.09233	2.8
256.03790	0.8
257.00937	6.0
258.01682	1.8
271.04672	14.1
271.99640	1.0
273.00400	1.5
274.01273	1.2
275.01999	18.1
276.02402	1.1
283.99500	1.7
287.01987	1.5
289.07111	1.0
299.99133	29.5
300.02567	1.5
300.99896	100.0
302.00226	7.1
313.05573	1.7
316.02216	3.9
331.06757	1.0
337.20233	3.1
373.18546	4.5
397.01971	0.7
436.27594	1.1
463.05344	1.5
471.18634	1.0
481.21011	4.0
507.18768	10.6
525.19830	40.9
526.20044	3.3
531.09241	0.8
567.20929	0.9
598.32727	1.3
625.12024	3.8
669.34186	2.4
686.41315	1.1
687.15729	46.1
687.34412	42.0
688.15643	8.5
688.34735	2.1
711.17493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07761	0.6
57.03440	1.9
59.01378	3.1
61.98838	9.2
65.00329	0.8
69.41279	4.5
69.97653	0.6
71.01382	3.5
73.02960	1.1
80.77976	0.6
83.01398	1.6
83.05016	0.8
85.02956	2.0
87.00880	6.2
88.98814	3.4
89.02439	1.4
96.96021	2.1
97.06590	0.6
99.04506	0.9
101.02460	1.9
101.76574	0.7
107.01424	1.7
109.02963	1.4
111.04501	1.0
113.02445	0.6
113.06094	0.6
116.92886	1.1
119.05048	0.6
123.00916	2.0
123.04527	1.6
123.08195	1.2
124.01675	1.3
125.02456	8.1
133.02945	0.7
135.04466	2.6
135.08157	0.9
136.05283	1.0
137.02452	5.7
137.06082	1.0
137.09727	0.8
139.00412	0.6
145.02942	0.7
149.06107	2.2
150.06873	37.8
151.00362	3.4
151.04082	1.5
151.07358	1.9
152.04807	6.9
153.01903	0.8
153.05521	1.0
155.10788	0.9
157.08768	0.7
161.02467	2.4
161.09790	0.6
163.00288	0.5
163.03923	0.7
163.07658	6.4
164.08443	7.3
165.02011	0.7
165.05571	4.3
165.09239	0.9
167.03503	2.7
169.01428	5.6
175.13667	0.5
176.08522	0.6
177.09157	1.1
178.10060	1.3
178.99890	2.0
179.10786	20.2
180.11157	1.1
193.01355	0.8
193.05023	0.8
193.08919	0.6
201.11353	1.4
203.03522	0.6
209.11783	0.6
214.02676	1.3
242.02299	1.2
243.02910	1.0
259.02530	1.1
261.18463	0.6
261.97522	0.5
270.01654	1.3
271.02472	8.6
272.02975	0.8
273.07584	1.0
287.02051	4.5
288.02490	0.6
299.01904	0.9
306.18393	1.3
313.05722	1.2
316.02234	20.2
317.02979	7.8
317.06586	1.1
318.03201	0.7
320.20081	1.2
321.20850	0.8
343.21310	4.8
344.21658	0.8
349.72168	0.6
350.21246	1.2
351.21722	1.7
364.22937	0.6
434.26563	1.4
435.27490	2.9
441.30310	0.8
459.31659	0.7
462.30020	1.9
463.30695	0.6
477.32303	6.8
478.32983	0.9
479.08319	3.6
504.31439	0.7
505.31863	3.2
522.31787	1.8
523.32813	24.8
524.32825	3.9
547.22205	0.9
597.32922	4.1
641.18970	4.2
641.35651	0.8
642.19672	0.9
667.34192	0.9
685.18225	5.0
685.38196	100.0
686.18353	1.9
686.38495	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.44534	0.5
57.98627	0.5
59.01384	2.9
60.99314	1.0
61.98835	7.9
65.85844	0.6
69.40657	4.9
69.44825	0.6
71.01392	2.6
73.02995	0.6
79.01917	0.6
84.26857	0.6
85.02969	1.6
87.00893	2.2
88.98819	6.0
89.02461	1.7
96.96028	1.8
97.06580	0.8
98.20602	0.9
99.92611	0.7
101.02444	1.2
107.01408	1.3
111.08183	0.9
113.02442	1.4
114.42785	0.5
115.27127	0.6
116.92870	4.6
117.03490	0.8
121.05929	0.6
123.00935	2.4
123.04570	1.3
123.08176	1.2
124.01696	0.8
125.02452	6.6
127.11237	0.8
129.05577	1.2
135.04510	2.9
135.08241	1.0
137.09747	1.1
139.00446	1.1
141.01920	0.7
145.03020	1.7
149.06139	1.4
150.05656	1.3
150.06880	25.9
151.00389	3.9
151.04005	0.6
152.04846	1.9
155.10814	1.3
161.02505	1.4
161.09764	0.8
163.04066	1.7
163.07668	8.6
164.08453	4.7
165.02049	0.6
165.05634	1.7
166.99837	0.5
168.00699	0.8
169.01445	8.3
171.10254	0.6
175.03975	0.9
177.09189	0.8
178.10062	1.2
179.10799	14.9
180.11157	0.9
192.04359	1.1
192.99686	1.7
193.08594	0.7
195.06551	0.8
195.10036	0.6
199.37134	0.6
201.11374	1.5
207.01216	0.7
207.06725	1.1
208.02063	2.4
211.02538	1.1
215.03510	0.6
223.04335	6.5
241.05505	1.6
257.14011	1.3
271.02536	1.5
287.05792	1.5
306.18417	0.9
316.02261	2.0
317.03033	2.1
320.19952	1.0
321.20908	0.9
329.07074	1.0
341.23465	2.1
343.21216	3.5
364.22876	0.7
371.24570	1.1
403.10782	1.2
462.30096	1.2
476.31415	1.4
477.32172	4.0
491.12488	1.7
504.31152	2.6
505.31888	2.5
522.32257	5.4
523.32800	18.6
524.33344	2.6
530.98511	0.6
595.14960	1.7
634.15167	0.6
685.38367	100.0
686.38800	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21316	0.6
57.87964	0.6
59.01294	2.4
61.98745	13.3
61.99101	2.2
63.74078	0.6
69.72186	2.9
71.01336	1.5
85.02921	0.7
87.00797	0.7
89.02387	0.8
96.95927	1.1
101.02371	1.5
101.74866	0.6
103.42175	0.7
113.02436	0.8
120.30058	0.6
123.00754	2.1
124.50747	0.6
125.02449	3.6
135.04439	1.0
137.02332	0.6
139.00294	1.1
139.03940	0.6
151.00252	1.4
151.03867	0.6
161.02368	1.3
165.01881	0.6
165.05437	0.8
169.01448	3.9
193.04929	2.7
197.02251	7.8
202.38072	0.7
209.11714	2.3
221.11742	1.3
239.12718	1.1
289.07242	0.8
317.06787	0.8
487.34305	100.0
488.34717	17.9
523.29199	1.1
597.36060	0.7
685.36615	29.4
686.37567	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	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93918	0.6
57.03447	1.7
59.01388	4.0
61.98836	13.4
69.42372	4.2
71.01393	4.1
73.02955	1.2
78.95906	0.6
79.95739	0.7
83.01402	1.1
85.02987	2.9
87.00875	3.3
88.98856	1.1
89.02442	1.9
95.01421	1.4
96.96017	4.1
98.20599	1.4
99.92609	0.9
101.02494	2.0
107.01434	1.2
109.02979	1.5
113.02494	1.1
116.92865	12.9
116.93578	0.9
117.66153	0.7
119.05084	1.6
121.02969	0.7
122.03818	0.9
123.00925	2.2
123.04569	2.1
123.08205	0.6
124.01682	0.9
125.02454	8.4
127.11256	0.7
134.12495	0.7
135.04588	2.0
136.05309	1.0
137.02505	1.1
137.09685	0.9
139.00409	1.8
140.01160	1.3
145.02959	3.5
149.02484	1.0
149.06142	1.7
150.06873	20.9
151.00357	3.6
151.04048	0.7
151.07565	1.5
152.04730	1.6
153.01981	0.9
155.10822	1.5
157.08734	0.7
161.02527	1.6
161.04665	0.9
163.04021	1.6
163.07648	9.7
164.08392	3.1
165.02008	2.0
165.05638	2.9
165.99110	0.9
167.03593	1.1
168.00723	1.2
169.01422	10.5
171.10327	1.3
175.70816	0.7
176.08586	0.9
177.09247	0.9
178.10013	0.9
178.99944	0.9
179.03506	0.9
179.10779	13.2
180.11238	0.8
193.05109	1.0
195.06778	0.6
201.11388	2.3
209.11926	2.1
210.12234	1.1
211.02570	1.1
211.45036	0.8
223.04515	0.8
227.03520	1.0
241.15628	0.6
255.02998	1.5
271.02426	3.1
287.02173	1.9
299.99655	1.1
300.02969	3.5
301.00107	1.1
301.03647	2.2
306.18433	1.4
313.05713	1.6
316.02142	3.8
317.02917	3.9
320.19965	1.1
321.20847	1.3
341.23486	2.8
343.21478	2.9
350.21121	1.5
371.24942	0.8
373.26199	1.2
462.30023	1.8
463.09094	1.3
476.31702	2.2
477.32043	4.8
493.32190	0.9
493.68484	0.9
504.30731	3.1
505.31970	2.2
522.32001	6.8
523.32886	16.8
524.33380	2.7
641.20618	1.1
667.34674	0.9
684.15814	0.8
685.19049	3.1
685.38544	100.0
686.18933	1.2
686.38843	21.0
707.16095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62046	0.9
56.02256	1.0
57.03459	2.0
59.01382	13.5
61.98832	21.5
69.03444	2.2
70.03867	3.9
71.01389	14.8
72.99314	1.7
73.02937	2.9
75.00880	1.3
80.02682	1.5
81.03446	3.0
83.01379	2.4
83.05039	11.9
85.02952	11.5
87.00883	16.7
89.02448	6.1
95.01384	1.3
95.05039	1.6
96.96010	1.7
97.02956	2.0
97.06560	1.7
99.00890	1.3
101.02454	10.6
109.06597	2.8
113.02457	5.1
116.28294	1.1
119.03498	2.5
121.02939	1.9
122.03761	1.2
123.00922	1.1
123.04521	2.5
123.08167	1.3
125.02468	4.5
125.06091	1.2
125.09721	2.0
133.07799	0.9
135.04509	1.3
135.08066	0.9
136.05310	1.0
137.02470	0.9
137.06007	1.1
142.02711	1.6
143.03604	1.0
149.09610	1.1
151.00314	1.4
151.04016	1.2
151.07666	1.2
153.05600	1.7
155.10760	1.1
161.04524	3.6
163.11330	5.5
165.05609	3.7
165.12807	2.5
168.00612	1.0
169.01378	2.8
171.10266	14.3
175.11200	1.4
177.12839	4.8
179.03535	1.0
179.05569	1.2
185.11844	1.5
193.12370	1.4
195.13905	3.3
197.04573	3.3
197.11761	1.4
207.10214	3.5
209.11838	100.0
210.12144	5.4
211.02490	1.1
211.13356	1.6
221.11823	51.9
222.12117	3.0
223.13373	5.9
224.13708	1.4
225.11424	4.3
227.12891	12.7
235.08179	4.7
237.14861	1.7
239.12898	35.4
240.13170	2.2
249.11266	1.5
253.09351	9.7
259.13425	2.4
277.14410	2.8
329.02835	1.2
413.23444	3.0
430.03754	1.2
431.24350	3.7
457.20862	1.6
463.30106	1.5
475.21872	8.1
487.34219	2.2
489.28409	1.1
523.29266	2.6
564.88721	1.0
597.36511	12.7
598.36511	2.6
623.33771	1.2
625.35785	2.3
641.35571	8.5
649.32422	2.5
667.21777	1.5
667.33191	7.2
685.34387	21.3
686.23517	1.0
686.35144	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	685.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31825	0.5
57.03437	0.7
59.01384	3.4
61.98826	1.6
69.69499	0.6
71.01388	3.2
71.60691	0.8
73.02953	1.1
78.95905	0.6
83.05017	3.0
85.02963	1.3
87.00880	100.0
88.01233	0.9
89.02438	0.8
89.14506	0.5
96.96007	2.7
101.02435	1.6
107.01400	0.6
107.05095	0.5
109.02946	0.9
113.02444	0.7
116.92867	1.1
119.03436	0.6
120.01302	0.9
120.99665	0.6
121.02973	0.8
122.03768	0.6
123.00908	1.4
123.04478	1.2
123.38605	0.6
125.02431	2.1
127.04009	1.6
127.07578	0.7
135.04549	1.0
136.05313	12.7
137.06058	0.7
138.06815	0.6
141.01945	0.7
145.02974	2.1
149.06110	3.5
150.06885	4.3
151.00380	0.5
151.07465	0.6
153.05595	1.0
161.02425	0.9
161.04549	0.5
164.08379	0.8
165.09219	17.0
166.09535	0.9
169.01454	3.3
169.12349	0.6
179.03644	0.5
207.10251	1.7
271.04526	0.6
299.99118	0.5
300.99860	1.9
301.96814	0.5
307.08093	0.7
317.10434	0.6
336.19461	0.8
337.20081	0.9
351.21738	10.6
352.22168	1.3
377.23300	4.2
417.26428	5.1
435.27505	25.7
436.27847	4.6
471.40311	0.6
479.30481	1.3
523.34302	0.8
597.32721	3.2
598.33215	0.7
641.35406	0.9
666.03650	0.7
667.33142	5.6
668.33173	1.1
685.34167	27.1
686.34229	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	685.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11565	1.3
53.51881	1.3
53.97345	1.5
57.03450	2.1
58.46074	1.4
59.01382	14.5
61.98839	7.7
64.44014	1.6
69.03452	2.5
71.01390	100.0
71.05047	1.7
71.59775	2.7
72.99317	2.1
73.02941	4.9
78.95907	1.6
80.02689	1.9
81.03448	2.6
83.05012	4.8
85.02950	5.4
87.00867	3.4
89.02448	6.0
95.04998	2.3
97.02954	3.2
97.06579	2.2
97.86679	1.4
99.00867	2.6
101.02460	8.8
109.06605	7.1
111.04562	1.4
113.02465	4.7
123.08253	1.8
125.02436	5.8
125.09741	4.8
127.11308	2.0
139.07707	2.1
155.10765	2.1
161.04585	4.0
163.11316	7.7
165.09096	1.5
167.10695	5.3
171.10297	25.8
177.12831	2.4
179.10727	3.6
179.14374	2.8
181.12296	3.2
185.11748	2.5
195.13852	8.4
197.11801	4.1
198.48318	1.6
199.13542	1.9
201.11337	22.9
205.12321	10.5
207.10278	19.0
209.11858	29.5
211.13303	7.8
211.72556	1.7
221.11864	10.5
223.13399	74.3
223.15587	3.6
224.13736	2.5
225.11349	25.0
226.11423	1.6
227.12831	4.4
235.08177	7.8
237.15047	2.7
239.12871	17.9
239.16464	2.2
240.13176	2.4
243.12302	3.3
247.13405	4.3
253.09283	13.5
255.23386	1.7
259.13321	1.7
265.14383	2.2
331.56357	1.6
395.22134	2.9
413.23416	4.9
431.24152	3.1
459.22415	5.5
461.20181	4.0
475.21732	3.3
485.32663	2.2
649.32104	5.1
667.33472	8.6
668.33789	2.1
685.34198	17.9
686.34015	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	685.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97192	0.5
57.03466	0.5
58.00559	0.6
59.01136	0.5
59.01381	6.0
61.98835	21.6
65.00320	0.7
66.52328	0.5
67.01886	0.7
69.03462	0.8
71.01385	5.9
71.05018	0.9
71.60596	0.9
72.99293	1.5
73.02941	1.5
79.01886	1.5
79.95735	0.5
83.01372	1.6
85.02961	2.7
87.00865	1.5
88.98814	1.2
89.02431	1.9
95.01421	3.2
95.05039	0.8
96.96019	2.1
97.02945	1.4
99.04548	0.5
101.02444	3.7
101.06070	0.6
107.01404	4.3
109.02924	0.7
109.06614	0.5
111.00900	2.4
113.02444	1.3
119.03485	1.0
119.05010	0.6
121.02960	1.3
122.00967	0.5
123.00892	14.7
123.04515	1.8
124.01656	0.7
125.02452	20.9
126.02764	0.7
133.02928	1.7
135.04477	1.5
136.05304	0.5
136.98827	1.5
137.02486	1.3
139.00378	4.8
139.04015	3.7
140.01184	3.5
141.01932	2.2
150.03178	0.7
151.00389	10.1
151.03963	1.0
153.01907	1.0
153.05577	0.6
161.02429	4.6
161.04543	0.9
163.03966	1.1
165.01927	1.7
165.05540	1.8
167.03490	1.3
168.00595	2.8
169.01428	23.2
170.01752	0.8
171.10254	0.8
177.01830	0.5
179.03452	1.5
181.04994	0.6
193.05060	3.4
201.11453	0.5
207.10239	0.5
209.11871	4.6
211.02460	1.5
221.11790	1.3
227.12749	0.7
243.39211	0.5
271.04547	1.3
289.07101	1.1
313.05701	1.7
315.01370	0.6
317.06561	2.5
367.12634	0.5
371.28000	2.0
392.75775	0.6
409.30838	0.6
439.32217	1.3
473.32849	4.8
474.32910	1.2
475.33218	1.0
479.30304	1.4
523.29382	0.8
533.33356	3.3
625.35571	0.7
641.35193	0.6
667.32941	0.7
685.34448	100.0
686.34686	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	685.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90656	0.8
69.41387	1.9
69.41788	5.8
88.92479	1.0
88.98827	1.6
90.94595	0.9
92.88023	0.8
95.99984	0.9
106.41197	0.8
124.01653	1.2
148.24596	0.8
151.00359	3.4
159.54587	0.8
164.01163	1.2
175.54208	0.9
178.99924	6.6
179.32266	0.9
190.23581	1.0
214.02722	7.7
242.02281	5.3
242.04318	0.9
243.02815	2.5
259.02402	5.0
264.64886	0.8
270.01727	6.8
271.02472	32.6
272.02814	2.3
286.98972	1.3
287.02005	18.4
288.02438	2.9
316.02255	100.0
317.02701	11.8
366.47528	0.9
381.70731	0.8
595.13031	97.1
596.13483	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	685.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01381	7.3
59.37484	0.8
59.79218	0.8
61.98839	22.6
63.02385	1.5
65.00298	0.9
67.01862	0.8
71.01384	3.9
72.99296	2.4
73.02946	1.6
75.00826	0.9
79.73676	0.8
83.01386	2.3
85.02947	2.2
85.54383	0.9
87.00891	1.7
88.98814	2.3
89.02464	2.7
95.01401	2.1
96.96021	3.5
101.02448	2.8
107.01407	4.5
108.02191	1.7
109.02957	3.2
113.02455	1.8
116.92898	1.8
117.05600	0.9
122.12460	1.0
123.00901	7.1
123.04521	3.7
124.01682	5.5
125.02450	11.6
130.28522	0.9
134.03735	1.1
135.04477	1.8
135.98358	2.3
136.01770	0.9
137.02446	6.6
139.00357	1.2
139.03992	1.9
140.01172	1.2
145.02930	1.3
151.00389	15.0
152.01117	1.9
152.04796	3.8
153.01915	1.4
161.02434	3.8
163.00371	2.9
163.04129	1.4
164.01129	3.3
165.01941	2.1
165.05576	3.2
167.03532	1.5
168.00615	1.5
169.01410	12.1
178.98376	1.5
178.99866	12.9
179.03441	1.0
187.04102	1.0
190.99861	0.8
193.05055	7.0
195.06583	1.0
199.03989	1.1
203.03513	1.9
209.11754	2.1
212.64958	0.8
214.02721	9.2
215.03365	1.4
227.03453	2.3
231.03091	1.0
242.02237	7.5
243.03041	5.6
247.02483	2.7
259.02515	7.0
270.01685	9.3
271.02463	45.2
272.02826	3.3
272.06943	1.4
287.02011	28.1
287.09158	6.3
288.02686	2.6
299.02002	5.2
299.09216	2.1
300.02359	1.4
316.02249	100.0
317.02991	58.1
317.05872	0.8
317.10300	2.3
318.03360	4.4
371.76810	1.3
382.21786	1.1
479.08371	24.1
479.30176	2.1
480.08557	3.2
523.28967	1.0
575.34332	1.1
641.18933	21.1
641.35297	1.8
642.19000	3.4
685.17737	37.7
685.34393	28.3
686.18304	8.1
686.35919	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	683.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37505	2.0
59.01371	8.1
61.98832	76.6
69.32984	10.9
69.33406	8.2
71.01379	4.3
73.02930	1.9
80.96520	1.8
85.02937	3.4
87.00886	3.9
88.98801	3.8
89.02451	4.0
94.53170	2.3
96.96020	3.7
98.19902	4.3
101.02427	2.8
109.02968	2.8
117.03431	3.1
117.05577	2.4
118.05688	1.7
119.05064	9.0
123.00899	2.2
125.02448	10.2
134.52687	2.0
135.04465	1.9
137.02420	2.9
139.04028	3.0
145.02937	7.2
151.00366	3.9
151.04013	1.9
161.02432	3.4
163.03981	4.2
165.01988	3.4
165.05630	1.9
169.01543	10.5
197.02188	12.0
209.11786	4.1
270.98834	7.4
271.01883	2.8
271.06396	2.2
295.05844	2.2
298.98383	6.3
299.99103	43.5
300.64380	1.8
300.99600	6.8
314.00751	3.8
315.01505	34.9
316.01788	3.2
377.28314	2.1
379.24411	2.0
485.32758	100.0
486.33182	16.7
500.19629	2.1
627.37451	2.4
647.39728	3.3
683.17157	19.4
683.36292	48.4
684.16644	2.9
684.35742	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	683.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30361	0.8
55.09233	0.7
57.03432	0.7
59.01377	3.7
61.98835	28.0
69.14967	0.8
71.01365	2.9
71.61534	1.1
73.02927	1.1
73.77539	0.7
78.95902	0.8
79.95761	1.0
80.96507	1.6
81.03436	1.1
85.02927	1.2
85.63582	0.8
88.98830	1.2
95.01337	0.7
96.96016	1.4
101.02434	1.8
107.01383	1.1
109.02884	0.8
111.00837	0.9
113.02437	1.3
116.01048	0.9
116.92868	1.3
117.05568	4.3
119.03504	1.0
119.04970	1.8
123.00875	3.4
123.04523	2.1
125.02454	8.0
135.04494	1.4
137.02428	1.4
139.00389	1.2
139.04050	1.0
145.02957	2.7
151.00352	2.5
151.44569	0.9
152.04704	1.2
161.02429	2.5
163.04012	2.3
165.01883	1.2
165.05565	1.7
168.00545	0.8
169.01418	9.7
197.02206	4.7
209.11678	1.0
211.02390	2.4
271.04495	2.4
289.07196	1.7
296.97479	0.7
299.99048	3.1
300.99805	1.3
315.01517	2.1
333.77240	0.9
343.64636	0.9
352.56290	0.9
377.12329	0.9
485.32745	100.0
486.33014	14.3
625.28589	2.6
629.37964	0.9
645.38446	0.9
665.31488	1.5
683.18683	1.2
683.35175	21.6
684.35468	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	683.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01380	4.1
61.98832	17.1
62.67428	0.4
65.00316	0.6
67.01887	1.1
67.31339	0.5
69.03436	0.9
71.01376	3.7
71.05047	0.6
72.99307	1.5
73.02943	1.1
75.00835	0.7
79.01891	1.7
80.96548	0.5
83.01375	1.7
85.02956	2.0
87.00863	1.0
88.98822	0.6
89.02443	1.7
95.01389	2.9
96.96016	1.4
97.02932	0.9
101.02457	3.4
107.01398	5.6
109.02974	0.9
111.00863	2.6
113.02436	1.6
116.92861	0.6
119.03473	0.4
119.05012	2.1
123.00893	16.2
123.04509	0.5
124.01630	0.9
125.02449	22.4
126.02803	0.8
127.00351	0.8
135.04517	0.7
136.98810	1.6
137.02428	1.0
139.00394	5.4
139.04028	0.8
140.01180	4.0
141.01936	2.0
145.02942	0.8
151.00378	12.5
152.00702	0.8
153.01942	1.3
161.02429	0.8
163.04004	1.0
167.03505	0.7
168.00690	2.8
169.01430	25.4
170.01804	1.1
172.05043	0.5
179.03543	0.8
181.05078	0.6
209.11876	0.9
211.02463	1.3
237.14879	0.8
256.03598	0.8
271.02383	1.2
271.06287	3.6
300.02759	1.1
300.99835	0.5
313.05664	1.7
315.05118	1.3
369.26456	1.9
531.31610	3.2
532.31830	0.7
639.20453	1.1
683.32819	100.0
684.33191	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	683.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67688	0.6
59.01390	3.2
61.98838	14.5
67.01881	1.1
67.82385	0.5
71.01389	3.3
72.99297	1.0
73.02937	1.3
75.00858	0.8
79.01901	1.5
85.02950	1.9
87.00866	1.1
89.02445	1.5
95.01395	3.2
96.26893	0.7
97.02907	0.9
99.00890	0.9
101.02444	2.0
107.01379	7.8
111.00879	2.6
113.02415	1.8
123.00893	16.5
125.02451	24.4
128.65230	0.6
136.98799	1.1
137.02448	0.6
139.00377	4.4
140.01225	3.2
141.01901	1.5
145.03004	0.9
151.00378	10.2
151.03888	0.8
153.01921	1.3
158.78685	0.6
163.04060	0.7
167.03453	0.6
168.00618	2.5
169.01431	30.0
170.01819	0.9
179.03476	1.0
181.05083	0.8
183.02873	0.7
208.18857	0.6
209.11786	1.2
211.02458	1.3
271.04526	1.4
297.06046	0.9
313.05594	2.6
315.05322	0.7
325.99454	0.7
354.28714	0.6
369.26471	2.2
531.31763	2.3
553.14343	0.7
647.39886	1.2
683.32806	100.0
684.33234	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	683.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.6
59.01384	16.2
69.51296	3.8
69.51704	1.7
71.01389	11.0
72.99299	0.8
73.02962	1.0
74.84892	0.7
79.09332	0.8
79.93504	0.8
81.03463	2.4
83.01395	3.3
85.02955	3.6
89.02466	8.5
93.03463	2.3
94.36565	0.9
95.01401	3.0
95.05035	2.4
96.96028	2.6
97.02958	5.7
99.00903	0.9
101.02451	8.1
107.01395	1.5
109.02959	17.7
109.03674	1.2
109.37540	0.8
111.00866	1.2
113.02451	3.0
117.05557	4.7
119.03535	4.1
121.02957	2.5
123.00880	8.8
123.04535	11.2
124.01742	1.0
125.02460	20.9
126.02851	1.2
127.00374	0.7
135.04524	2.1
137.02467	7.4
139.00377	4.3
139.04008	2.5
140.01175	2.4
144.36543	0.9
145.02954	0.8
149.02448	3.3
151.00369	7.7
151.03990	6.5
159.04515	1.3
161.02466	1.6
161.06110	3.9
162.03250	1.2
163.04015	1.6
164.01169	3.0
165.01913	3.4
167.03473	2.0
168.00623	3.3
169.01418	14.1
175.04004	1.6
175.07646	1.5
179.03552	3.9
179.07100	1.1
187.04083	3.8
188.04730	3.1
202.06458	1.2
203.03391	1.1
203.07127	9.3
205.05072	5.0
221.08165	2.2
222.94263	0.9
227.07024	1.3
231.02942	1.4
245.08183	10.6
249.04065	2.0
275.01981	2.0
289.07190	72.2
290.07669	4.7
300.99939	6.7
313.05518	1.5
323.13504	42.2
324.13785	3.0
337.02261	1.0
359.09842	100.0
360.10196	6.2
374.05511	0.8
553.97064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43284	1.2
54.91067	1.4
54.91684	1.3
59.01350	1.2
61.98835	100.0
62.96440	1.4
69.73745	3.3
69.74151	4.7
78.95909	28.9
80.02686	2.3
81.03474	1.8
83.05033	5.7
96.36333	1.2
98.19879	2.1
122.00092	2.6
125.02421	2.6
125.09728	3.9
126.07227	1.3
127.11312	6.1
139.03938	1.3
139.11278	1.3
140.01190	11.3
152.99629	2.1
153.05603	2.8
155.10736	1.6
163.11255	5.2
165.09219	1.7
165.12842	3.6
168.28256	1.3
171.10278	3.6
196.03792	8.7
199.09776	2.6
201.11333	70.3
202.11632	3.0
209.11845	78.0
210.12187	4.9
227.12923	17.2
245.13968	6.8
253.21463	1.2
255.23309	84.2
256.23642	6.9
271.35153	1.1
277.21707	3.6
308.85199	1.3
329.21060	2.4
341.23239	1.5
424.17554	1.8
445.23782	4.4
452.27893	5.7
463.50723	1.3
636.38617	2.6
662.40436	29.1
663.41107	4.1
680.41522	99.6
681.42023	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	683.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86492	0.2
55.16465	0.2
59.01364	0.2
61.98828	0.2
71.61787	0.3
79.95734	2.9
79.96172	0.2
87.49147	0.1
90.19662	0.2
91.30439	0.1
95.95230	2.6
96.96018	49.0
98.95622	0.3
101.02440	0.2
104.72300	0.1
121.02985	0.2
122.97592	0.3
125.02468	0.4
142.84096	0.1
151.00639	0.2
152.01207	0.2
169.01424	0.4
194.88107	0.2
205.69432	0.2
249.08023	100.0
250.08327	4.5
265.07553	0.5
266.07983	0.2
267.07300	0.3
300.99869	0.4
403.13654	0.2
476.66229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33476	0.2
59.01382	0.3
61.98817	0.4
71.01416	0.3
71.04102	0.2
71.60738	0.4
72.21181	0.2
74.01305	0.3
79.95733	3.1
79.96125	0.3
95.95232	2.3
96.96018	50.7
108.02183	0.4
116.92855	0.9
122.97541	0.3
125.02418	0.6
139.25597	0.3
152.01120	0.4
249.08032	100.0
250.08353	5.3
380.98792	0.3
386.86084	0.3
524.02435	0.3
652.56555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.8
57.03724	0.6
59.01396	0.5
69.03461	0.8
69.46828	1.7
69.47252	1.8
71.01359	0.7
71.05021	1.1
77.10346	0.5
81.03467	2.6
83.01403	2.5
93.03445	1.9
95.01398	1.0
95.05029	3.7
96.96021	1.0
97.02967	6.0
98.20547	0.9
104.03545	0.5
107.05042	0.5
108.02197	0.8
109.02962	23.1
110.03284	0.7
111.04545	0.5
117.05578	5.6
119.05055	0.6
121.02978	3.3
122.03764	1.4
123.00951	0.5
123.04533	16.7
125.02454	16.5
126.02849	0.5
133.02887	0.5
135.04536	1.9
137.02443	9.7
139.04030	3.4
143.07144	0.7
145.02979	1.5
146.03748	1.0
147.04471	0.9
149.02454	4.0
150.03224	1.7
151.04021	8.5
152.01202	0.6
152.04387	0.5
159.04517	3.0
160.05270	1.3
161.02480	1.7
161.06076	5.0
162.03197	1.0
163.03986	1.0
164.01163	3.4
165.01944	4.1
167.03477	1.6
169.01404	1.3
173.06087	1.0
174.03255	0.7
175.04048	2.3
175.07681	1.8
177.01933	0.7
177.05499	0.8
179.03490	6.7
180.04077	0.6
181.21536	0.5
184.05295	0.6
185.06068	0.9
187.04018	5.1
188.04808	4.1
189.01924	0.5
193.20403	0.5
195.04266	0.6
199.07710	0.9
201.05527	0.6
202.06374	2.4
203.03479	1.0
203.07158	12.4
204.07541	0.5
205.05075	7.9
206.05553	0.6
212.04837	0.6
217.08572	0.7
221.08177	3.1
227.07191	2.2
231.02997	1.2
245.08182	17.1
246.08516	1.3
247.06149	1.4
249.04103	1.2
271.06146	0.8
275.02017	1.9
279.55695	0.4
289.07199	100.0
290.07556	8.4
300.99988	4.0
302.00391	0.7
359.09735	0.6
387.00327	0.5
393.14139	1.7
453.61481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98270	2.8
57.67775	2.5
58.99152	2.3
59.01381	24.8
61.66184	2.8
70.18674	10.1
79.80364	2.4
96.96011	78.9
105.34679	2.5
125.02432	9.9
125.81194	2.8
151.04161	2.9
168.00629	2.7
169.01390	6.0
205.01465	3.1
225.11256	18.5
234.09425	3.0
246.99991	2.6
249.04002	4.3
256.01147	2.5
266.12048	2.9
275.01855	6.4
289.07126	4.2
300.99915	11.9
305.06995	100.0
306.07602	6.0
420.50366	2.6
458.03104	5.1
458.52911	3.8
679.14417	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	680.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.1
59.01386	0.7
59.67050	0.2
61.98833	100.0
62.98535	0.2
68.30454	0.1
71.01388	0.5
72.99323	0.2
78.95905	0.2
81.03437	0.1
83.01435	0.2
85.03006	0.2
87.00895	0.2
88.98825	0.4
89.02467	0.3
98.20639	0.3
101.02451	0.2
118.16606	0.1
119.05042	0.2
121.03020	0.2
125.02473	0.4
125.09657	0.1
131.30142	0.1
145.02963	0.3
149.04596	0.2
151.72458	0.1
151.96558	0.1
163.04016	0.1
167.03470	0.2
169.01437	0.4
171.10274	0.2
209.11867	0.2
213.14984	0.5
214.15247	0.2
216.57652	0.2
229.58269	0.2
273.07822	0.4
343.40826	0.1
466.25870	0.2
487.34579	0.3
488.34818	0.6
597.64288	0.2
681.32666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16874	3.1
60.45126	3.4
69.06805	3.9
71.01364	6.3
71.60102	4.9
96.96030	14.9
107.01405	5.7
115.70389	3.6
121.02969	4.0
123.00828	4.2
125.02470	28.0
134.35442	3.3
136.61331	3.5
137.02435	4.5
151.00359	12.6
151.04010	4.6
165.01918	5.3
169.01454	26.5
189.58504	3.2
195.06790	3.1
203.03447	4.2
243.02934	8.5
249.04141	5.5
255.03015	15.7
271.02429	26.6
275.01956	5.9
300.02762	74.3
300.99902	19.0
301.03506	35.2
313.05661	4.4
463.08902	18.6
475.03317	4.4
615.00214	7.0
615.09943	100.0
616.10248	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	679.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23435	0.5
54.92444	0.6
59.01397	3.2
61.98846	4.4
62.47066	0.6
65.00320	0.6
67.01897	1.4
67.35336	0.6
69.03445	1.0
71.01373	2.3
71.61405	1.0
72.99336	1.0
73.02940	0.6
79.01874	1.0
81.03488	1.1
83.01395	1.1
85.02934	0.7
87.00872	1.7
88.98791	2.6
89.02445	1.6
89.35275	0.6
95.01399	4.7
96.42254	0.6
96.96021	7.8
97.02934	1.0
99.00886	0.9
101.02456	1.1
107.01394	11.5
108.02175	0.9
109.02951	2.5
111.00903	3.8
112.21201	0.6
113.02444	1.0
116.92751	0.6
121.02930	1.1
123.00903	12.5
124.01698	5.1
125.02460	33.5
126.02776	1.1
127.00349	1.1
136.01674	4.4
136.98842	2.1
137.02460	12.4
139.00388	6.2
139.04034	5.9
140.01190	4.6
141.01884	1.0
150.03197	1.5
151.00410	3.0
151.04001	2.9
153.01915	1.5
163.04030	1.2
165.05556	1.2
166.99892	3.7
168.00645	13.2
169.01436	37.2
181.01410	2.8
183.03000	23.6
184.03391	1.1
275.01993	0.7
300.99997	1.2
302.00244	0.6
512.13269	3.2
513.13617	1.1
526.19922	1.0
527.15106	11.5
528.15863	1.5
581.00586	0.7
664.13977	0.8
679.16681	100.0
680.16925	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	677.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00878	1.9
71.60072	3.7
78.95908	70.8
95.69027	2.0
96.96971	4.6
97.06613	2.3
140.99225	2.0
151.11298	17.4
152.99591	100.0
169.12343	93.7
169.13403	1.5
170.12669	5.8
171.00620	8.4
213.11317	40.6
214.11688	3.2
227.03223	4.1
244.17876	1.9
349.10529	7.3
381.04651	2.0
423.14209	25.2
441.15298	90.0
441.21429	4.2
442.15646	8.7
677.36639	75.4
678.36926	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	677.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.3
59.01375	0.5
59.96964	0.2
61.98839	1.0
67.24015	0.1
67.26440	0.2
70.46593	0.2
71.01368	0.5
71.61086	0.2
73.01189	0.2
74.99131	0.4
80.05067	0.2
81.02975	0.4
81.03460	8.4
83.05030	19.9
84.05376	0.3
89.02399	0.2
96.96027	0.4
100.07706	0.5
101.02418	0.4
103.23891	0.2
107.06121	0.4
108.04553	0.7
121.02970	0.2
121.38528	0.2
123.00877	0.5
125.02455	1.4
125.07217	1.7
126.05611	0.7
126.39002	0.2
136.99147	0.2
137.02440	0.5
137.85121	0.2
139.04022	0.3
143.08269	0.5
149.02461	0.2
150.03172	0.3
150.14836	0.1
153.01930	0.2
165.01952	0.3
168.00571	0.2
169.01436	1.5
171.15038	0.2
180.04253	0.4
193.01479	0.2
195.06578	0.5
195.32118	0.2
207.15056	1.5
224.17657	2.8
225.07666	0.7
225.16083	13.0
226.16425	0.5
242.18825	0.8
262.05835	0.4
265.09320	0.2
268.16724	0.2
290.22369	0.4
301.00092	0.2
308.23438	0.2
309.21832	0.8
310.21927	0.2
324.26410	0.6
333.22937	0.9
338.06531	0.5
339.27536	0.2
341.29077	1.0
366.68063	0.2
367.27148	1.3
373.10364	0.2
407.33713	0.3
433.31732	1.2
450.34537	1.4
451.32904	6.9
452.33386	0.9
471.31442	0.3
487.93817	0.2
495.55960	0.2
507.11392	0.2
525.12439	0.3
550.43378	0.9
559.39771	0.4
565.44312	0.4
593.44031	0.5
659.48389	1.5
660.49402	0.3
677.49695	100.0
678.50000	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17130	1.0
55.01857	1.4
57.03445	2.4
59.01385	33.7
61.98834	34.2
71.01384	10.2
72.99310	2.1
73.02946	4.0
73.86998	1.2
75.00895	1.6
77.73605	1.0
81.03454	1.7
83.01428	2.0
83.05025	3.0
85.02949	3.9
87.00879	4.3
87.04533	1.3
88.98827	2.3
89.02456	7.4
93.03436	1.2
95.01420	2.2
95.05023	1.3
96.96014	15.2
97.02956	1.2
97.06610	1.3
98.19827	2.6
98.95613	1.1
99.00893	1.8
101.02452	8.5
104.65395	1.1
107.01398	4.5
108.47902	1.4
113.02500	5.2
116.92871	1.3
119.03500	2.3
119.79215	1.1
123.00893	6.3
125.02446	18.5
125.06097	1.2
125.09723	1.4
135.04564	2.9
136.98987	1.2
137.02483	2.8
139.00391	1.2
139.03996	1.9
140.01173	2.2
145.02859	1.2
151.00363	4.8
151.11346	2.3
159.04295	1.0
161.04596	2.4
163.04100	1.6
163.11284	2.4
165.12840	1.6
168.00627	3.0
169.01414	18.3
169.12355	34.3
170.01851	1.2
171.10280	74.0
172.10643	2.3
179.05632	1.3
181.12402	1.2
187.03831	1.5
195.06631	1.4
197.11647	1.3
201.11380	1.4
203.03616	1.3
209.11836	68.1
210.12134	4.8
213.11272	3.5
227.12943	10.6
229.01402	1.4
231.12402	2.7
235.08159	1.8
241.14394	1.9
253.09306	6.3
271.04620	1.3
275.02023	3.1
301.00000	6.0
301.03012	1.3
373.18604	2.2
445.20908	1.5
449.20163	1.6
467.21124	2.0
471.33139	3.6
481.20642	2.2
507.18527	1.4
525.19727	12.3
526.19971	2.2
617.35419	3.4
633.38574	3.2
641.33594	1.3
659.22394	1.1
659.32709	7.2
677.21167	18.7
677.33990	100.0
678.21478	5.3
678.34235	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	677.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40392	1.0
57.03460	3.1
58.00565	1.1
59.01385	11.5
61.98834	27.5
71.01390	11.3
72.99345	1.4
73.02950	2.8
83.01397	2.4
83.05035	4.4
85.02968	3.3
87.00894	3.5
88.98786	1.5
89.02466	6.4
95.01395	1.1
95.05030	2.5
96.96038	2.2
97.06606	7.2
101.02458	9.7
107.01345	1.4
110.07910	1.1
110.80624	1.1
113.02453	3.5
119.03515	1.7
120.26919	1.5
125.02463	3.5
125.09717	3.4
125.79259	1.3
127.11315	3.9
137.09705	1.5
149.06056	1.3
149.09824	1.2
151.11292	21.2
155.10820	2.1
161.04573	3.1
163.11272	2.7
164.04744	1.8
165.09206	3.0
169.01389	3.5
169.12357	100.0
170.12689	3.3
171.10312	4.0
177.09053	1.5
185.11876	1.7
195.10263	2.8
199.09727	1.8
201.11337	36.3
202.11736	1.9
209.11859	49.4
210.12207	3.5
213.11331	14.4
227.12862	3.9
235.08424	2.0
253.09201	7.4
264.18655	1.3
301.00027	1.3
348.19968	1.4
376.54984	1.1
431.19287	1.4
449.20392	6.4
479.33789	5.0
617.35272	1.9
633.31116	41.6
634.31317	5.7
659.32910	84.4
660.33307	15.2
677.33789	36.9
678.33875	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	677.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	18.3
61.98819	26.9
64.22506	10.5
70.76144	26.9
78.95919	100.0
125.61713	10.2
142.10365	9.4
145.02995	24.6
152.99550	43.8
171.10208	16.7
201.11295	17.2
209.11845	36.6
211.13414	93.7
248.27663	10.8
295.22781	24.2
431.21997	10.7
447.22418	13.4
545.31226	11.3
659.35913	21.6
677.36243	64.9
678.35358	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	677.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01387	13.9
61.23585	1.6
61.98833	71.1
62.45605	1.6
69.03452	2.3
71.01388	26.4
73.02951	4.5
79.68884	1.6
83.05026	4.0
84.02126	2.3
85.02940	5.2
87.00870	7.9
88.98818	3.3
89.02450	9.6
94.67248	1.7
95.05040	2.0
96.96021	4.8
97.02963	2.3
98.20639	4.4
99.00903	2.3
101.02431	7.4
102.45963	1.7
106.07050	1.6
107.15678	1.8
109.06597	1.8
111.00874	1.9
111.85446	1.6
113.02438	6.8
119.05026	2.0
125.02476	4.1
125.09711	2.1
127.11224	2.0
151.00366	2.7
153.09209	2.3
157.60342	1.6
161.04582	3.4
163.04010	2.4
163.11272	4.1
165.12787	2.9
169.01387	4.2
169.12312	5.0
171.10278	100.0
172.10649	3.4
179.03406	2.0
181.12341	2.0
183.13893	4.1
185.11809	4.0
195.13939	2.9
197.11838	33.0
198.12341	1.9
199.09785	8.4
199.13426	2.3
201.11267	4.7
209.11841	97.3
210.12167	13.9
211.12274	2.0
211.13481	3.2
213.13020	2.3
213.14951	25.1
214.15335	2.0
225.11516	2.1
227.12894	14.3
228.13237	2.5
229.62959	2.0
235.08058	4.1
253.09273	11.7
275.02054	2.0
301.00171	2.2
307.60901	1.6
407.18924	2.0
445.20456	2.3
463.25589	3.1
479.33371	5.3
485.32367	5.5
524.19568	2.0
615.33783	3.7
641.37354	1.7
659.32446	6.9
677.33899	7.6
678.35077	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	677.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12779	1.0
55.01875	1.2
58.00591	1.1
59.01142	1.2
59.01382	12.5
61.98843	15.1
65.00303	1.5
67.01884	3.1
69.03450	1.8
71.01064	1.1
71.01389	15.6
72.99307	7.3
73.02940	4.2
79.01881	2.2
83.01379	4.0
85.02967	7.5
87.00864	3.6
88.98810	6.6
89.02455	7.0
95.01376	4.3
95.04970	1.1
96.26015	0.9
96.95454	1.8
96.96021	21.4
97.02914	2.3
98.95569	4.0
99.00877	2.1
101.02453	13.7
107.01395	10.7
109.02922	1.6
109.48757	1.0
111.00874	6.9
113.02450	7.3
119.03456	2.6
123.00889	24.0
124.01619	4.1
125.02455	61.1
126.02746	2.0
127.00362	2.3
127.03981	1.2
135.04498	3.0
136.98770	4.2
137.02466	1.8
138.01883	2.2
139.00401	9.1
140.01187	9.3
141.01836	1.6
143.03365	1.1
149.02357	1.5
150.99341	1.2
151.00385	14.8
151.03961	1.9
153.01907	2.3
161.02318	1.2
163.03966	1.8
165.01811	2.6
165.05542	2.2
166.02669	1.3
166.99835	1.6
167.03439	1.5
168.00674	12.9
169.01434	62.7
170.01704	4.7
171.10237	1.3
177.01924	1.2
179.03455	1.4
189.80005	1.2
195.06418	1.2
209.11783	3.2
211.02522	6.6
229.14433	2.0
237.33533	1.0
271.04529	3.5
284.71204	1.0
313.05457	4.5
333.99667	1.1
347.04886	1.2
373.18777	10.5
453.32217	1.2
463.19565	1.1
471.33286	1.3
481.20688	8.4
507.18625	6.9
525.19781	55.7
526.19824	4.5
633.21490	4.2
633.38367	2.3
638.36987	1.1
659.19757	8.6
659.35010	1.2
660.19550	1.8
676.36267	11.0
677.20648	100.0
677.37024	10.8
678.21027	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	677.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69983	1.0
57.03444	2.2
58.00620	1.1
59.01380	18.6
61.98832	34.2
62.49736	0.9
67.01883	2.5
68.99846	2.1
69.03452	2.3
69.45997	4.1
69.46418	3.3
71.01389	17.7
71.30864	0.8
72.99298	3.2
73.02953	3.3
79.01896	3.5
79.95764	1.8
81.03466	2.1
82.63631	1.0
83.01392	3.7
83.05058	1.2
85.02948	5.3
87.00884	2.4
88.98835	2.8
89.02441	11.8
95.01394	5.7
96.96015	23.4
97.02957	3.1
98.95596	1.6
99.00901	2.9
101.02452	11.2
107.01398	16.3
109.02962	1.8
111.00889	7.5
111.04552	1.2
113.02483	7.6
113.06115	0.8
116.92873	1.6
119.03493	5.1
119.05106	1.2
121.06561	1.3
123.00889	30.0
124.01658	4.5
125.02452	76.0
126.02791	5.5
127.00385	3.7
127.04016	2.1
131.48782	1.1
135.04509	2.9
136.98842	3.8
137.02493	1.7
137.06129	1.1
139.00386	13.6
139.03963	1.9
140.01181	12.3
141.01944	3.4
142.02318	0.9
143.03479	1.2
144.49475	0.9
145.02855	1.1
151.00374	17.9
151.03941	1.1
152.00713	1.9
152.04768	1.8
153.01950	2.9
161.02435	1.6
161.04532	1.1
163.04085	1.2
165.01964	2.0
165.05525	1.8
166.99878	1.7
167.03491	2.2
168.00635	15.3
169.01433	83.1
170.01817	6.6
171.01872	1.3
177.01947	1.0
177.05693	1.3
179.03462	2.3
179.05658	1.0
179.10738	1.2
193.01488	2.0
193.12309	1.5
209.11772	1.2
211.02467	16.2
265.03558	2.3
271.04694	10.3
297.06091	1.1
300.99460	1.1
303.64673	0.9
313.05725	5.3
373.18796	6.7
463.19995	1.4
465.66522	1.1
471.33255	2.2
481.20651	7.3
507.18784	3.9
524.22504	1.1
525.19788	54.9
526.20270	5.4
633.21783	6.0
633.38635	2.7
634.22058	1.3
659.19531	8.0
659.37354	2.0
660.20642	1.8
676.24329	1.6
676.36218	47.8
677.20978	100.0
677.36621	47.3
678.20978	15.9
678.37982	1.3
709.77069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.92173	0.5
57.03440	0.8
59.01097	0.9
59.01384	14.1
61.98837	8.9
64.30058	0.6
67.01874	2.5
68.99805	1.4
69.03443	1.4
71.01390	12.7
71.04992	0.8
72.99310	1.4
73.02943	1.8
75.00838	0.7
79.01883	1.2
81.03445	0.7
83.01379	2.1
83.05014	0.7
85.02962	5.2
85.38598	0.6
87.00875	2.0
89.02448	9.8
89.94299	0.7
93.01550	0.5
93.03460	1.0
95.01407	4.7
96.96024	3.9
97.02935	2.4
99.00854	1.2
101.02451	10.0
106.00577	0.6
107.01396	13.9
109.02941	0.6
111.00883	5.6
113.02449	5.5
113.06084	0.6
119.03519	3.9
123.00895	20.2
124.01691	3.3
125.02455	70.1
126.02789	2.2
127.00343	1.7
135.04488	1.4
136.98827	3.5
137.02434	1.8
139.00380	8.1
139.03935	1.0
140.01184	8.0
141.01915	2.8
145.02937	0.6
149.13283	0.9
151.00392	11.4
153.01918	1.2
163.04036	0.6
165.05588	0.8
166.99883	1.2
167.03491	0.8
168.00656	11.5
169.01430	69.3
169.12296	1.5
170.01836	3.0
171.10258	1.8
179.03520	0.7
179.05583	0.7
181.01434	1.2
191.03470	0.7
193.01387	0.8
193.05011	0.8
193.12360	1.7
209.11906	3.2
211.02496	11.8
212.02946	0.7
227.13017	1.0
237.03996	1.1
271.04605	9.1
272.04987	0.7
297.06302	0.6
300.99857	0.7
313.05615	2.1
315.01315	0.9
329.05197	0.7
359.80246	0.7
373.18765	8.7
447.06107	0.7
463.19376	1.7
481.20856	11.4
482.20966	1.4
507.18622	4.5
525.19794	76.6
526.20105	10.1
633.21967	2.6
659.19757	4.6
660.20410	1.2
676.36951	1.7
677.20880	100.0
678.21124	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	677.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57479	1.2
51.40633	1.1
55.01896	1.1
59.01382	8.2
61.98822	1.5
67.01896	2.3
68.99786	1.1
69.03445	1.5
69.42484	2.6
69.42882	7.8
71.01398	9.3
72.99303	1.6
73.02944	3.5
79.01904	1.1
81.03465	1.1
83.01393	3.1
85.02964	6.4
87.00919	1.5
87.65916	1.0
89.02457	2.6
95.01395	5.6
96.96005	1.6
97.02944	1.7
99.00858	1.6
101.02456	11.1
107.01395	12.9
111.00925	6.1
113.02438	3.9
119.03482	3.3
123.00891	20.7
124.01632	3.9
125.02463	65.9
126.02785	1.3
127.00330	2.0
136.98817	2.9
139.00389	7.4
140.01201	8.4
141.01884	3.1
147.90222	1.0
151.00375	12.5
153.01949	1.5
161.04523	1.4
166.99844	1.1
167.03534	1.0
168.00645	11.5
169.01439	62.9
170.01628	1.4
179.03641	1.2
179.69853	1.1
198.19487	1.1
210.12210	1.2
211.02441	3.2
223.02296	1.3
231.53926	1.1
271.04623	3.2
281.19476	1.1
313.05667	1.8
360.79376	1.2
370.45184	1.1
373.18625	13.6
448.54721	1.1
463.19675	2.0
481.20859	12.8
482.21503	1.7
507.18701	11.0
525.19818	82.2
526.19983	9.6
633.21722	3.3
659.20068	6.6
677.20947	100.0
678.21362	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	676.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03437	2.1
59.01384	10.3
61.54602	0.8
61.98837	12.6
67.01890	1.8
67.64515	0.8
69.03460	1.3
70.30636	0.8
71.01389	10.2
72.01722	0.9
72.99308	2.1
73.02946	2.6
78.95921	1.2
79.01897	9.0
83.01405	3.0
83.05014	1.0
85.02956	3.6
85.06598	1.0
87.00902	2.1
88.98819	1.0
89.02439	5.3
93.03460	2.8
95.01380	5.3
96.96006	7.5
97.02956	2.6
99.00860	0.9
101.02435	5.1
107.01397	12.7
107.05071	1.0
108.01723	1.3
109.02915	1.1
111.00897	4.4
111.04514	3.1
113.02458	3.9
116.41951	0.9
116.92835	2.0
117.03406	0.9
119.03508	1.1
119.05031	13.0
121.03022	1.0
123.00896	28.3
123.04500	0.9
124.01165	1.4
124.01706	1.3
125.02457	66.6
126.02798	6.1
127.00371	2.4
135.04544	9.4
136.98846	3.3
137.02480	1.4
139.00388	11.1
140.01212	7.1
141.01952	4.6
141.09261	1.0
145.02960	3.4
151.00391	18.7
151.04019	3.4
152.00702	2.8
152.04774	3.0
153.01945	1.7
153.05591	18.5
163.03969	1.3
165.01999	1.0
165.05563	4.0
165.09236	1.4
166.09476	1.1
166.99847	0.8
167.03523	1.2
168.00638	5.1
168.01851	0.8
169.01439	94.2
170.01779	8.2
171.01912	2.3
177.02136	1.0
177.05586	0.9
179.03505	18.4
193.05087	2.7
203.03580	1.2
205.05081	3.0
209.11810	4.1
211.02499	7.4
212.02864	1.1
227.12955	1.3
229.01590	1.7
231.02975	2.2
241.03474	2.4
245.01268	0.9
249.03992	2.3
271.04587	6.5
275.02002	5.5
299.09277	19.7
300.09631	2.0
300.99927	11.7
313.05670	48.9
314.06055	3.5
356.10046	0.9
467.11938	19.8
468.12119	2.3
476.89328	0.9
493.09399	1.8
512.32880	1.2
513.34131	5.0
519.11633	2.5
524.22058	1.4
525.19293	4.1
580.20074	1.0
613.15668	95.3
614.15967	16.7
632.37042	1.0
675.35803	100.0
676.24573	2.5
676.36261	77.6
677.21820	8.6
677.36798	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	675.361
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
55.01863	0.6
57.03409	0.6
59.01383	3.7
61.98808	1.8
66.95316	0.5
67.01859	1.2
67.10342	0.4
67.93440	0.5
69.03455	0.9
69.53185	3.6
71.01376	3.9
71.39487	0.7
72.99304	0.7
73.02930	0.9
79.01882	1.6
82.63701	0.5
83.01373	1.5
85.02943	2.1
87.00872	0.9
89.02431	0.9
95.01385	3.0
96.95985	1.4
97.02946	1.1
101.02445	2.4
107.01395	6.2
109.02966	0.8
111.00925	2.4
112.96520	0.5
113.02442	1.2
116.92835	0.5
123.00892	18.6
123.04538	0.7
124.01647	0.9
125.02451	24.6
126.02770	1.8
127.00359	1.5
136.98810	2.1
137.02397	0.8
139.00363	4.2
139.04031	0.7
140.01160	5.0
141.01872	2.0
149.02490	0.8
151.00371	9.6
151.04042	0.6
152.00766	0.6
152.04774	1.0
153.01923	1.6
154.99797	0.6
161.02374	0.8
165.01952	0.7
165.05553	1.3
166.06331	0.9
166.99823	0.6
167.03532	0.8
168.00653	3.2
169.01427	27.7
170.01692	1.7
174.24255	0.5
179.03516	1.1
181.04980	0.6
211.02451	2.7
232.77354	0.6
264.42648	0.5
271.04712	2.7
283.08997	0.6
300.99890	1.2
303.05057	0.8
304.05441	1.0
313.05600	2.0
390.52292	0.5
439.08841	0.7
475.61548	0.6
523.21667	0.9
585.12469	1.2
645.20844	6.3
646.20532	0.8
657.21155	2.5
675.22650	8.4
675.35858	100.0
676.24017	1.1
676.36218	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	675.36
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
55.01883	0.6
57.02013	0.6
57.03442	0.9
59.01394	4.1
61.98825	1.8
67.01888	1.3
69.03474	0.6
69.40211	4.0
71.01397	3.1
73.02984	0.6
79.01885	1.4
79.94350	0.6
81.03474	0.7
84.85819	0.6
85.02966	1.7
89.02459	1.8
95.01383	2.6
96.96019	11.6
97.02940	0.6
101.02412	1.9
105.05489	0.6
107.01390	5.0
111.00880	2.9
113.02451	1.1
123.00899	17.1
123.56384	0.6
124.01631	1.0
125.02456	20.9
126.02766	0.9
127.00358	0.7
136.98824	1.5
139.00383	5.4
139.04027	0.7
140.01170	3.8
141.01926	1.9
151.00386	10.1
151.04007	0.8
152.00696	0.7
152.04857	0.9
153.01953	0.8
163.03979	0.7
168.00647	3.2
169.01425	26.2
170.01805	1.0
192.78842	0.5
209.11852	4.0
210.12184	2.1
211.02486	1.5
211.12358	1.1
313.05545	0.7
319.48532	0.6
377.66364	0.7
631.36902	1.1
675.35938	100.0
676.26233	0.8
676.36304	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85748	1.5
59.01385	12.6
59.91124	1.5
61.98834	48.1
69.03463	1.4
71.01379	9.2
71.60452	2.3
73.02966	1.7
78.95898	2.5
81.03459	2.3
83.05044	4.5
85.02943	2.6
87.00885	2.7
88.98814	2.8
89.02464	4.7
96.96004	2.9
97.02934	2.4
101.02457	5.3
109.06618	3.2
112.03088	1.3
112.55682	1.7
113.02463	2.5
115.83100	1.4
125.02454	5.9
135.04518	4.0
139.07657	2.9
161.02391	1.4
161.04607	2.3
163.11293	6.1
165.05542	2.3
165.12827	2.2
169.01465	3.3
169.12370	9.6
171.10286	19.0
172.10654	1.4
176.03506	1.5
179.03468	2.7
181.12364	1.7
183.13942	2.7
185.11848	3.3
189.09264	1.6
197.11850	100.0
198.12157	5.0
199.13380	1.9
207.10271	13.2
209.11845	90.2
210.12166	12.0
211.13486	9.3
212.13889	2.0
225.11330	5.6
225.15025	1.7
227.12923	20.3
228.13109	1.8
235.08189	2.7
253.09285	12.2
300.99866	2.3
328.42502	1.7
389.23392	1.7
407.18909	1.5
433.20926	7.8
463.21927	1.8
471.34888	12.8
472.35138	29.1
473.34930	2.4
475.29373	1.8
599.56171	1.6
615.30084	4.0
615.38855	1.8
639.33752	2.5
643.33240	1.9
657.33820	2.3
675.34979	12.7
676.34808	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90200	0.3
55.01880	1.9
57.03459	1.4
58.00605	2.7
59.01384	51.4
60.01728	0.3
61.98840	0.5
67.01904	0.5
67.21075	0.4
68.99825	0.5
69.03471	2.4
71.01386	41.3
72.99321	3.4
73.02954	7.6
75.00874	0.9
78.95918	1.6
81.03464	1.5
83.01392	5.1
85.02958	9.5
85.03450	0.8
87.00880	11.5
87.04546	0.4
89.02448	40.6
90.02777	0.5
91.03999	0.6
93.03486	0.6
94.37798	0.4
95.01382	3.3
97.02959	8.0
99.00890	2.5
99.04548	0.5
101.02451	35.2
102.02784	0.5
103.00361	0.4
103.03989	0.5
109.02923	1.0
111.00877	0.8
111.04523	0.9
112.01694	0.5
113.02453	17.0
114.02817	0.5
115.04039	1.0
119.03506	12.0
121.02944	0.8
124.01658	0.6
125.02455	14.0
127.04018	0.8
131.03510	2.1
133.05081	1.5
137.02435	0.4
139.04042	1.3
141.01910	0.5
143.03514	6.3
149.02429	0.4
149.04573	1.0
152.99579	0.9
161.04549	7.9
162.04956	0.5
167.03508	0.8
169.05014	0.6
179.05615	8.1
180.05963	0.4
181.05003	0.6
184.86603	0.4
185.04501	0.8
199.06071	0.5
209.11841	1.3
217.07176	1.4
221.06677	3.1
235.08237	16.0
236.08746	0.7
245.06604	1.2
253.09251	3.5
263.07556	1.8
277.09326	1.3
277.21732	100.0
278.18988	0.4
278.22067	8.5
287.07733	3.7
291.23129	0.5
297.44376	0.5
305.08774	4.6
314.56873	0.4
323.09723	1.8
361.11328	0.8
379.12372	1.5
397.13510	88.4
398.13870	6.4
415.14578	37.4
416.14810	3.0
418.21680	0.4
549.03857	0.5
657.34033	0.6
675.35077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01382	15.7
61.98834	27.3
65.03955	1.2
69.03453	1.8
71.01388	17.2
71.59856	1.3
72.99291	1.9
75.00879	1.2
81.03462	3.6
83.05037	3.8
85.02962	3.4
87.00896	2.7
88.98779	1.6
89.01978	1.2
89.02438	7.5
95.05015	2.1
97.02964	4.4
97.06050	1.3
97.06583	7.9
99.00886	3.5
101.02451	10.1
109.06610	20.3
113.02448	5.2
117.83929	1.1
119.03506	2.2
121.56688	1.1
125.02503	1.6
135.08131	2.5
142.02715	1.9
143.03462	1.3
145.05014	2.1
149.09760	1.9
151.11285	22.8
152.11620	1.1
161.04526	3.0
163.11288	9.9
169.12349	100.0
170.12660	3.5
171.10243	8.3
181.12331	3.4
183.13918	1.7
185.11826	3.0
195.10257	6.2
197.11835	22.2
198.12227	1.5
199.09724	1.7
201.11386	3.4
207.10274	45.2
208.10701	3.1
209.11858	37.0
210.12172	8.3
211.13530	12.1
213.11327	26.1
225.11346	24.1
226.11577	2.6
227.12914	9.1
228.13280	1.8
235.08298	6.5
236.08501	1.3
253.09282	11.3
271.02625	1.4
272.02753	1.9
300.02710	3.9
301.03387	2.8
341.21182	1.8
359.22137	3.9
377.23291	5.8
431.19177	3.1
433.20731	1.5
443.18939	1.8
447.22165	1.7
449.20325	18.5
450.20624	2.9
453.28754	2.1
454.34262	1.2
461.20392	9.5
462.20306	1.3
471.77115	1.2
495.25961	1.5
612.17804	4.5
613.31470	2.9
639.29999	6.2
657.31250	21.6
658.31586	3.4
675.35541	2.5
676.34888	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03433	0.2
59.01381	2.1
62.33545	0.2
71.01380	1.6
73.02956	0.3
77.32250	0.2
80.02669	1.2
80.12978	0.2
81.03449	1.2
83.01410	0.3
83.05026	4.2
84.02166	0.8
85.02953	0.7
87.00887	0.5
89.02443	1.3
93.03417	0.3
95.01421	0.2
95.05005	0.4
97.06544	0.3
101.02450	1.7
108.32051	0.2
113.02439	0.8
119.03513	0.4
125.06085	0.6
135.08154	0.5
143.03465	0.2
161.04567	0.8
163.11302	3.6
165.12834	2.2
171.10280	2.1
181.12378	0.5
185.11809	0.2
191.10814	0.6
209.11836	100.0
210.12160	5.2
216.39735	0.2
221.11855	0.4
227.12898	12.4
228.13159	0.6
235.08203	1.4
247.13374	1.1
253.09320	5.7
265.14478	0.4
381.53046	0.3
419.24744	0.4
445.20782	0.8
527.42926	0.2
611.30640	0.4
637.32550	0.6
638.34125	0.2
665.76990	0.3
673.34753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81410	1.4
57.61122	1.1
58.00598	2.5
59.01376	11.3
61.51259	1.2
61.98824	4.1
69.03439	2.0
71.01387	48.2
72.01694	1.3
72.99291	1.3
73.02938	4.1
78.95901	1.9
80.02700	2.1
81.03439	2.4
83.01377	1.4
83.05027	5.6
85.02954	4.1
86.15511	1.2
87.00875	2.8
89.02460	7.0
90.15263	1.2
91.03996	1.3
95.05039	1.9
97.02940	3.7
97.06625	1.4
99.00880	3.0
101.02464	7.2
109.06587	3.9
113.02482	4.3
114.23978	1.4
119.03507	2.1
125.09669	2.0
127.11353	1.2
135.08051	1.5
143.03600	1.5
155.10812	1.6
161.04642	2.7
163.11284	7.0
165.12845	2.8
169.12344	2.6
171.10283	21.3
171.13814	1.2
181.12346	5.6
183.13905	8.1
185.11850	6.3
193.12315	1.4
197.11896	2.8
199.09712	3.0
199.13403	27.8
201.11336	16.2
207.10269	17.9
208.10695	1.5
209.11848	100.0
210.12219	5.0
211.13411	82.0
212.13750	5.1
215.12834	2.5
225.11366	20.3
226.11819	2.0
227.12901	58.6
228.13130	4.3
229.14507	1.6
229.17119	1.5
235.08218	8.3
235.13341	2.7
243.12502	1.5
247.13437	2.2
253.09308	17.5
295.10599	1.2
326.44562	1.2
375.25607	1.5
383.22235	2.2
401.23279	4.8
418.53189	1.3
419.24295	5.4
437.25287	1.5
443.18646	1.7
445.20862	2.4
447.22360	2.0
461.20337	3.4
463.21890	7.8
619.30237	1.3
637.32361	8.9
638.32568	1.8
655.16510	1.3
655.33392	11.6
656.33838	2.0
673.34467	15.6
674.34784	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	675.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01390	5.2
60.99321	0.9
61.98817	2.5
65.00368	0.8
67.01892	2.6
68.99841	0.8
69.03447	1.7
71.01386	5.5
72.99329	1.1
73.02955	0.7
79.01901	2.7
81.03470	1.1
81.23065	0.7
83.01394	1.8
85.02943	2.4
87.00875	1.5
88.98801	3.7
89.02445	1.4
95.01408	5.1
96.96021	3.8
97.02937	1.4
101.02460	3.7
107.01390	11.8
107.05014	0.8
108.01670	0.7
109.02934	1.0
110.00080	1.3
111.00888	4.9
113.02458	2.1
121.02991	0.8
122.99988	0.9
123.00895	26.2
124.01641	3.1
125.02453	54.5
126.02789	3.0
127.00378	1.4
129.24271	0.7
136.98805	4.1
137.02422	1.5
137.06032	0.9
139.00406	8.7
140.01207	7.0
141.01894	2.2
145.02921	0.7
149.02451	1.2
151.00388	16.4
151.04010	1.3
152.00722	0.9
152.04805	7.6
153.01913	2.4
158.17197	0.7
163.07597	1.1
165.01941	0.8
165.05608	5.2
166.99792	2.0
167.03610	0.9
168.00642	8.3
169.01434	55.6
170.01773	1.7
171.01878	0.8
179.03380	1.0
179.07115	0.8
209.11830	0.8
211.02498	4.9
223.02338	1.0
237.04018	0.9
253.03476	1.1
271.04514	1.7
289.03510	0.9
313.05658	3.9
493.15103	0.8
494.15762	1.0
495.15390	2.4
505.20663	4.4
512.33417	3.4
513.34235	5.5
523.21997	9.4
674.34650	5.5
675.22931	85.4
675.35938	100.0
676.23260	14.9
676.36292	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03215	0.1
52.10387	0.1
54.06988	0.1
55.01871	0.1
55.50602	0.1
57.03443	0.2
58.00594	0.1
59.01381	1.7
63.42484	0.1
67.03838	0.1
69.03454	0.1
69.96120	0.6
71.01389	1.4
73.02953	0.4
80.02688	1.1
81.03459	1.1
83.01394	0.4
83.05031	4.6
84.02174	0.8
85.02953	0.4
87.00893	0.3
89.02461	1.0
93.03473	0.2
95.01366	0.2
95.05025	0.6
97.06583	0.2
101.02450	2.1
109.06587	0.3
113.02448	0.9
119.03493	0.4
125.06064	0.5
125.09682	0.3
127.11253	0.1
135.08180	0.6
143.03496	0.1
147.11810	0.3
149.09750	0.2
161.04536	0.7
163.11299	3.3
163.12686	0.2
164.11636	0.2
165.12842	2.1
165.14117	0.2
169.01402	0.2
171.10284	2.1
179.05659	0.1
181.12378	0.4
191.10823	1.1
199.13316	0.2
203.14395	0.2
207.10262	0.1
209.11832	100.0
210.12158	5.7
221.06860	0.1
221.11815	0.4
223.13365	0.2
227.12894	13.0
228.13193	0.9
235.08159	1.4
247.13379	1.2
253.09288	6.0
254.09834	0.2
265.14539	0.4
401.23425	0.3
419.24573	0.3
445.20615	0.8
463.21896	0.2
611.30798	0.3
637.32538	0.5
655.34149	0.2
673.34088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
64.55882	0.5
66.70065	0.6
67.01897	1.0
69.03468	1.1
70.76514	0.7
71.01381	4.8
72.99336	1.0
73.02964	1.2
79.01900	1.0
80.02681	0.9
81.03466	1.7
83.01401	1.1
83.05031	3.9
84.02175	1.0
85.02974	1.7
87.00871	0.8
89.02467	2.3
95.01382	3.0
95.05056	0.8
97.02961	1.1
99.89575	0.6
101.02446	3.1
107.01394	7.3
109.02925	0.6
111.00901	2.8
111.61273	0.5
113.02458	1.6
113.28076	0.6
123.00901	17.9
123.04564	0.8
124.01721	0.7
125.02457	23.8
126.02797	0.8
127.00379	0.8
133.52225	0.6
135.04544	2.1
135.08156	0.8
136.98827	1.3
137.02498	0.8
139.00377	4.5
140.01175	3.1
141.01973	2.4
151.00377	11.3
151.03983	0.6
152.04813	2.2
153.01970	1.1
153.05658	0.9
154.99886	0.7
161.04597	1.0
163.04097	0.8
163.11292	3.3
165.05568	1.4
165.12848	2.3
168.00658	3.1
169.01443	28.9
170.01772	1.4
171.10260	2.0
179.03519	1.3
181.04973	0.6
191.10805	1.3
193.01472	0.8
209.11835	100.0
210.12164	6.2
211.02477	1.6
214.55319	0.6
227.12874	12.7
228.13170	0.6
235.08266	1.4
247.13496	0.7
253.09314	5.0
256.88892	0.5
271.04672	2.2
313.05627	1.7
320.25055	0.6
333.85187	0.6
445.20889	0.8
453.28348	1.4
511.33258	0.7
578.23291	0.6
615.33917	1.1
637.32330	0.8
643.33551	2.2
644.32312	0.7
673.34363	91.9
674.34766	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	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03450	1.6
58.00593	2.0
59.01384	8.8
61.98826	1.4
65.50325	1.0
69.03440	1.4
71.01386	44.0
73.02942	3.4
78.95927	7.4
81.03454	3.2
83.01379	1.4
83.05035	4.3
85.02964	3.5
87.00885	4.1
89.02457	4.2
95.05022	1.5
96.86369	0.9
96.96018	1.9
97.02937	2.7
99.00908	2.5
101.02457	8.2
109.06603	9.0
111.00873	1.2
112.49793	1.2
113.02466	4.7
119.03473	1.2
125.02456	1.4
125.09712	2.7
135.08141	1.4
145.05112	2.5
152.99614	5.3
161.04559	3.0
163.11281	8.7
165.12860	2.2
171.10266	8.3
181.12372	4.1
182.12645	1.0
183.13901	11.1
185.11855	3.5
193.12292	2.6
197.11821	1.3
199.11652	2.0
199.13409	22.1
200.13774	1.5
201.11308	7.8
202.11592	1.2
205.04974	1.1
207.10272	27.8
207.13655	1.1
208.10568	3.0
209.11841	68.8
210.12216	7.1
211.13409	100.0
212.13789	6.0
213.14888	1.2
215.12877	1.1
225.11313	23.2
226.11758	1.6
227.12901	53.8
228.13237	4.1
229.14417	1.4
229.20708	1.3
235.08272	6.3
235.10619	1.0
235.13367	2.0
243.12372	2.3
245.13977	1.4
247.13268	2.1
253.09294	12.6
293.21091	1.1
373.23734	2.7
383.22778	1.0
391.24713	3.0
401.23386	6.2
419.24445	5.1
437.25555	2.0
447.21973	2.1
461.20361	5.2
463.21783	8.8
562.22565	1.4
619.31946	1.2
637.32074	5.4
638.31860	1.3
655.33362	10.5
656.33490	1.6
673.34174	19.9
674.34558	3.7
676.50360	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	673.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
61.98844	1.0
64.48373	0.5
67.01918	0.8
68.99833	0.5
69.03461	1.3
69.59382	3.4
71.01390	3.5
72.63504	0.4
79.01910	0.9
81.03457	0.7
83.01403	0.9
83.02458	0.4
85.02960	1.9
93.79457	0.5
95.01401	1.8
97.02972	1.2
101.02445	1.2
107.01395	11.2
109.02966	0.7
111.00921	2.3
113.02457	1.1
115.66332	0.6
121.02961	1.0
123.00890	11.5
123.01735	0.9
123.24380	0.5
124.01688	1.2
125.02451	56.3
126.02779	2.5
127.00447	0.7
129.97325	0.6
136.98837	1.3
137.02423	1.1
139.00383	4.3
139.04007	1.4
140.01149	2.9
141.01961	2.0
151.00369	7.1
153.01842	0.5
158.94380	0.5
161.02451	0.7
168.00665	3.7
169.01431	73.8
170.01819	2.0
181.01439	0.6
181.05020	0.6
183.02951	2.8
193.01381	0.6
211.02419	1.5
241.03470	1.2
251.28836	0.4
253.03548	0.5
269.08237	3.7
270.08649	0.6
281.08057	0.7
283.09839	1.7
299.09204	2.5
300.99878	0.6
311.09329	4.9
312.09915	1.5
313.05652	17.7
314.05933	1.1
314.11563	4.7
315.12354	2.1
326.11536	4.0
327.07333	1.1
327.12192	1.0
329.13956	4.3
341.13837	1.1
542.11108	0.5
610.15033	0.8
673.21368	100.0
674.21686	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01381	5.2
61.98837	4.1
67.01894	1.8
68.99777	0.7
69.03451	1.2
69.27142	4.0
69.27561	2.2
71.01391	3.6
71.05631	0.6
72.99319	1.4
73.02938	1.5
77.72241	0.6
79.01904	2.4
81.03462	1.2
83.01389	2.4
85.02960	2.1
89.02403	1.2
95.01385	3.0
96.96012	1.0
97.02936	1.4
99.00897	0.7
101.02426	3.2
107.01389	11.3
110.00074	1.1
111.00896	5.0
113.02446	1.8
123.00896	19.5
124.01670	2.8
125.02454	58.6
126.02817	1.0
127.00389	1.4
135.04535	1.5
136.05302	3.3
136.98831	2.6
137.02444	1.4
139.00371	7.8
139.03998	1.4
140.01152	6.9
141.01941	2.0
149.02458	1.2
149.06102	1.3
150.03230	0.7
150.06862	1.5
151.00377	12.5
152.04788	1.7
153.01866	1.4
154.99899	0.8
163.07555	0.8
165.01936	1.6
165.09198	1.8
167.03519	2.2
168.00656	15.8
169.01433	73.7
170.01755	2.4
175.03876	0.8
179.03403	1.2
181.01355	0.9
181.05038	0.9
183.03026	1.5
192.99756	1.0
193.01424	11.9
194.01825	0.6
209.11839	6.9
209.15451	0.6
211.02480	42.9
212.02811	1.3
216.52109	0.6
221.76625	0.6
223.02599	0.8
227.12914	2.5
235.02220	0.7
241.03485	2.9
253.03644	1.4
271.04593	25.4
271.07507	1.4
272.04889	1.1
287.05682	1.1
289.07242	0.8
295.04507	0.9
301.03531	0.8
313.05679	7.3
321.98624	0.7
331.06546	1.4
401.30975	0.7
410.84601	0.7
439.31485	0.6
443.71323	0.6
458.69955	0.7
465.06836	1.5
465.31897	0.6
483.07831	30.3
484.08081	2.6
511.32758	2.4
521.19958	1.5
610.12286	0.9
643.33099	1.3
643.59735	0.7
655.33618	0.8
672.33264	0.9
673.21442	43.3
673.34521	100.0
674.21881	8.0
674.34863	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	673.2137
Annotation	Premithramycin A2'
Peak:m/z	Relative Intensity
55.01873	1.3
55.87294	1.1
57.03433	1.5
59.01387	6.1
61.98843	2.1
65.00302	1.3
67.01884	3.6
68.99770	1.1
69.63089	3.3
69.63512	4.6
71.01385	7.0
72.99290	2.4
73.02921	1.5
75.00864	1.4
79.01891	3.8
83.01384	3.1
83.48037	1.1
85.02957	3.3
87.00873	1.7
89.02441	1.6
95.01386	8.3
96.96023	1.8
96.99384	1.4
97.02927	1.9
101.02438	4.7
107.01387	13.1
109.03019	1.5
111.00898	7.9
113.02458	2.0
121.02956	4.0
121.11464	1.0
123.00895	43.3
124.01743	5.4
125.02459	45.7
126.02825	1.0
127.00368	3.7
135.04587	1.6
136.05287	1.4
136.98808	5.0
139.00385	17.9
139.04047	4.4
140.01190	14.2
141.01970	4.5
145.02936	1.1
150.03214	1.6
151.00377	16.0
151.04008	1.9
153.01968	3.1
159.04457	1.4
163.03984	1.4
165.01962	1.4
165.09099	1.1
166.99852	4.6
168.00644	16.7
169.01433	45.5
170.01823	1.4
183.02979	6.7
195.02939	1.4
211.02406	7.1
225.03979	1.6
240.04234	2.1
268.07425	1.8
269.08267	3.3
271.04742	5.1
281.08304	1.4
282.08957	1.8
300.09995	1.7
313.05798	1.9
314.11591	2.2
315.12338	4.5
326.11441	1.8
327.12369	3.0
329.14133	3.4
341.13980	2.0
343.11896	1.3
371.13519	2.9
373.91705	1.2
461.14215	1.5
462.15430	2.4
476.17001	4.9
477.17776	16.1
489.17206	3.1
491.19357	6.4
492.19345	2.5
503.19446	2.2
537.16162	4.3
596.70966	1.4
643.20319	100.0
644.20514	20.9
655.20392	47.5
656.20319	7.8
673.21509	92.0
673.34723	7.3
674.22003	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00772	0.3
51.48101	0.3
52.77728	0.3
59.01371	2.6
61.98841	0.7
65.00337	0.4
67.01919	0.4
68.99798	0.3
69.44044	1.0
69.44468	1.7
71.01376	2.0
78.16420	0.3
78.77201	0.3
79.90740	0.3
83.01405	0.5
89.02470	0.9
93.03516	0.5
94.58495	0.3
95.01416	0.6
96.96038	0.7
101.02507	0.8
104.67035	0.3
107.01390	3.4
109.03071	0.5
111.00903	2.2
113.02441	0.5
123.00888	2.4
124.01653	1.9
125.02460	18.6
126.02736	0.4
127.00359	0.4
128.83804	0.3
136.98830	1.4
137.02423	0.5
139.00409	2.3
139.04039	0.8
140.01207	2.6
145.02959	0.9
151.00392	1.7
153.01973	0.4
165.01981	0.5
167.03535	1.3
168.00652	11.7
169.01436	26.3
170.01788	1.1
183.03137	0.8
193.01416	0.6
211.02492	51.1
212.02884	1.9
224.04791	0.3
236.98532	0.3
238.06328	0.4
241.03514	0.9
255.10316	1.0
271.04605	100.0
272.04907	5.7
283.09769	4.1
284.10117	0.5
285.06311	0.9
289.07446	0.5
294.09061	0.6
295.09644	0.8
298.11932	0.8
300.99933	0.6
310.11884	0.5
311.09277	10.2
312.09705	1.5
313.05591	0.6
325.10867	1.0
326.11624	6.1
327.11945	1.0
331.06729	24.9
332.07047	1.7
341.14008	2.2
521.20068	0.5
556.64233	0.4
673.21417	17.7
673.34283	0.6
674.21832	3.7
704.49359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79921	0.4
56.93056	0.4
57.03444	1.2
59.01377	1.9
61.98843	2.2
70.56087	1.1
71.01397	1.2
73.02976	0.8
83.01370	0.6
83.05041	0.4
83.63207	0.4
85.02967	0.7
87.00900	2.2
89.02438	1.2
96.95995	0.5
97.06606	0.7
101.02461	0.6
107.01372	0.7
109.06590	0.8
111.08174	0.8
113.06120	0.4
121.06638	0.7
122.03750	0.5
123.00899	1.9
123.04536	0.6
123.08181	0.6
125.02471	4.4
125.09747	0.5
127.11341	0.7
135.04546	2.5
135.08179	0.7
136.05310	29.1
137.06076	1.0
139.00381	0.6
147.08174	0.7
149.06097	5.6
150.06885	10.2
151.00351	1.8
153.01920	1.0
155.10820	0.6
162.06863	0.6
163.04482	0.5
163.07617	1.0
164.08415	2.9
165.09219	27.5
166.09579	1.3
169.01463	3.1
171.10211	0.7
177.01906	0.8
179.03516	0.9
182.10863	0.5
201.11354	1.3
207.10344	1.4
209.11787	1.8
225.11279	1.2
232.20041	0.5
285.04062	1.5
292.16830	1.2
299.99298	0.7
300.99835	3.1
303.05063	2.1
307.19171	2.2
308.58051	0.5
336.19720	0.6
343.21222	4.5
411.11517	0.5
436.43951	0.5
445.29468	0.9
448.28491	1.1
463.30746	10.3
464.30969	1.6
465.32410	0.9
490.29575	0.8
491.30435	2.2
499.00702	0.5
508.30792	1.3
509.31165	27.9
510.31439	3.8
653.31812	0.5
671.36542	100.0
672.36786	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	672.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20993	1.0
61.98840	3.8
65.00352	1.2
65.54910	1.1
96.96021	1.7
98.20740	2.4
107.01400	1.5
108.02165	1.1
121.02973	1.1
128.09663	0.9
136.99062	1.1
141.37865	1.1
148.01724	1.1
151.00366	7.9
169.01437	2.4
178.99881	3.4
192.00624	1.1
227.03423	2.0
243.03015	7.0
254.02269	1.9
255.03012	22.6
271.02496	51.4
272.02960	4.6
281.31192	1.0
299.02060	2.8
300.02771	92.6
301.03220	12.4
302.03790	1.0
316.02307	3.5
511.14139	1.1
554.72522	1.1
609.14624	100.0
610.14948	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	673.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79086	1.2
57.03432	1.3
59.01360	3.8
61.98839	6.5
67.01871	1.6
69.03450	2.0
71.01355	3.8
73.02936	1.4
78.17290	1.3
79.01871	1.5
83.01379	2.7
85.02921	3.4
89.02429	2.0
93.03439	1.2
95.01372	5.5
96.96004	2.0
97.02934	2.3
98.20716	2.7
99.00831	1.5
101.02429	2.0
104.20180	1.1
107.01382	7.8
108.02187	54.9
109.03009	11.3
110.00120	1.2
111.00841	2.3
113.02455	2.7
121.02970	47.0
123.00903	26.2
123.04465	2.4
124.01680	1.3
125.02458	32.2
125.46453	1.3
134.03609	1.2
135.04488	2.3
136.05309	9.4
136.98782	1.3
137.02437	2.2
137.06018	1.3
139.00302	5.1
139.03944	1.9
140.01093	4.0
140.57344	1.0
141.01883	1.8
145.02916	2.6
149.05991	3.5
150.03258	1.6
150.06818	3.8
151.00354	13.3
151.03986	1.5
152.01169	100.0
153.01730	6.1
163.03998	3.9
163.07579	1.7
165.01888	1.1
165.05550	1.9
165.09235	7.1
165.12801	1.6
168.00563	4.6
169.01434	34.7
170.01836	1.3
175.03917	1.3
177.01874	1.4
209.11844	20.4
211.02386	2.7
227.12785	2.4
228.49524	1.1
243.02606	1.6
256.03284	2.0
259.05884	1.3
267.04990	1.4
269.04416	1.8
271.02298	4.1
271.04831	3.0
272.02710	3.8
280.01419	1.2
285.06039	1.5
286.01157	1.5
287.05731	2.0
300.02808	7.4
301.00061	2.2
301.03204	10.4
302.03464	2.5
307.08200	1.4
345.22690	1.8
379.75989	1.4
394.23291	1.7
399.09418	15.6
400.09256	1.6
464.08798	4.1
465.32019	3.5
493.31204	2.2
505.41507	1.2
507.11197	2.3
511.32602	9.0
521.13098	40.8
521.20477	1.8
522.13269	5.9
522.19574	1.3
551.10345	1.6
557.29260	2.2
607.49158	1.3
610.12793	15.7
611.12610	2.5
629.15161	16.1
630.14783	2.9
643.32617	1.5
673.14056	68.9
673.34711	79.6
674.14398	10.5
674.35144	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.9
59.01384	6.3
61.98825	2.1
69.03485	0.6
71.01385	8.4
72.99277	0.7
73.02934	1.9
78.95903	1.3
79.32500	0.5
80.02681	1.3
81.03460	1.7
83.01401	0.9
83.05029	5.6
84.02153	1.1
85.02963	1.6
87.00876	2.2
89.02446	2.7
93.03453	0.9
95.01382	1.4
95.05044	3.2
96.01961	0.5
96.72337	0.7
97.02923	2.8
97.06596	1.0
98.19833	1.4
99.00902	1.1
99.04508	0.8
101.02448	5.6
109.06581	5.8
110.03743	0.7
111.04565	1.0
111.08167	1.1
113.02460	2.6
119.03561	0.6
123.04543	0.7
125.02464	0.9
125.09735	1.4
135.04588	0.6
135.08153	1.6
137.39157	0.6
143.03522	0.6
145.05077	1.3
151.11330	0.7
152.99660	0.9
153.12845	0.8
161.04555	2.0
161.09790	0.8
163.11296	9.7
165.12814	1.8
169.12352	0.7
171.10266	4.0
179.10738	1.4
181.12370	2.7
189.09282	3.2
191.10796	1.3
197.11815	1.6
199.13327	0.8
201.11308	1.9
207.10280	21.0
208.10742	0.6
209.11838	100.0
210.12169	4.9
211.13336	2.2
225.11324	55.9
226.11693	2.6
227.12891	15.0
235.08237	8.6
235.13396	1.0
241.14403	1.1
245.11774	0.8
247.13261	0.8
253.09273	10.0
263.12851	1.0
288.33560	0.6
389.23251	0.8
399.21405	0.6
417.22742	0.8
425.24521	0.6
443.19247	5.0
445.20514	1.0
461.20367	6.4
555.37549	0.7
635.31268	2.1
653.31818	6.6
654.32135	1.4
671.32800	10.9
672.33154	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	671.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01378	2.3
60.23409	0.5
61.98832	2.3
67.45083	0.5
69.03433	0.5
71.01386	2.3
71.37376	0.7
72.99297	0.6
73.02946	0.8
83.01404	0.7
85.02962	1.5
87.00880	2.0
89.02444	1.0
95.01401	1.4
95.04977	0.6
96.96022	1.0
97.02960	0.8
101.02441	2.3
107.01413	3.1
111.00904	1.9
113.02429	1.4
114.71846	0.5
119.03527	0.6
123.00889	10.6
123.04560	0.7
125.02462	14.6
135.04533	5.7
135.08081	0.7
136.05310	21.4
136.98799	0.9
137.05945	0.7
138.01953	0.7
139.00336	2.6
140.01157	1.8
149.06075	4.8
150.06859	8.4
151.00375	6.0
151.03987	0.9
153.01910	0.6
162.06874	0.9
163.07729	0.7
164.08432	2.2
165.01956	1.0
165.09222	20.8
166.09584	0.8
166.99957	0.6
168.00688	2.5
169.01434	15.7
169.02802	1.1
171.10287	0.9
179.03506	3.0
179.10878	0.7
201.11320	0.7
207.10223	0.7
211.02606	3.0
271.04538	2.8
285.04077	1.5
291.07452	0.6
300.99869	2.0
303.05151	0.8
306.18488	0.7
307.19244	1.1
313.05685	1.1
313.20239	0.8
321.20697	1.2
337.20172	0.9
343.21335	1.9
350.21149	1.4
352.91214	0.6
427.29095	0.6
463.30701	5.1
479.30273	1.2
483.08047	0.8
490.29419	0.6
491.30209	2.5
508.30032	0.6
509.31091	19.1
510.31763	1.9
591.22180	0.7
641.31848	1.2
642.71857	0.6
671.35297	100.0
672.35114	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61913	0.3
55.01873	0.4
56.82578	0.3
59.01379	2.3
61.98842	1.6
65.00320	0.5
67.01878	1.1
69.03448	0.7
71.01392	2.8
72.99307	0.7
73.02944	1.0
79.01894	1.4
80.94242	0.3
81.03447	0.3
83.01379	0.9
85.02932	1.1
87.00886	4.1
89.02464	0.6
94.45451	0.3
95.01397	1.8
96.96014	0.7
97.02935	0.7
99.00878	0.5
101.02441	1.5
107.00707	0.4
107.01394	5.7
110.00098	0.5
111.00890	2.8
113.02434	1.0
120.99615	0.4
123.00896	14.7
123.13452	0.3
124.01707	1.6
125.02457	20.9
125.37102	0.4
126.02764	0.7
127.00346	1.1
128.72998	0.3
135.04498	1.3
136.05359	1.7
136.98770	1.5
137.02446	0.5
139.00383	4.9
139.04010	0.4
140.01175	3.8
141.01950	2.0
148.66454	0.3
149.06088	0.6
150.06812	1.0
151.00381	9.5
151.03928	0.5
153.01938	0.7
163.03970	0.8
164.08392	0.4
165.01878	0.4
165.05528	0.3
165.09235	1.7
167.03519	0.5
168.00655	5.3
169.01434	24.6
170.01749	0.4
177.04022	0.4
179.03516	1.4
181.05081	0.5
201.14883	0.3
209.11812	0.7
211.02498	7.1
212.02606	0.4
271.04578	5.8
299.99173	1.7
300.99731	2.8
302.00079	2.2
303.00449	1.4
313.05640	1.0
421.29556	0.5
509.31140	0.7
641.31360	2.4
650.78589	0.4
671.32843	100.0
672.33160	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31470	0.6
56.37976	0.6
59.01385	9.1
61.98830	2.7
69.03503	0.8
70.08361	2.1
70.08772	1.2
71.01393	6.4
71.05051	0.9
73.02966	2.0
80.02692	1.6
81.03469	3.2
83.01427	1.2
83.05031	7.9
84.02151	1.0
85.02966	1.7
85.11156	0.7
87.00880	1.1
89.02449	4.0
93.03464	1.8
95.05050	1.5
97.02979	6.3
97.06596	1.3
98.20589	0.8
99.00887	3.0
101.02460	6.3
102.43143	0.6
109.06605	18.1
110.03749	2.1
111.04560	1.1
113.02456	3.0
119.03448	1.0
121.02985	0.7
121.06607	0.9
123.00921	0.9
123.08183	0.9
125.02449	1.9
125.06076	0.8
125.09731	3.4
133.05060	0.8
133.90518	0.7
135.08167	3.7
136.05330	1.6
142.02719	1.4
145.05043	1.1
161.04555	2.1
161.09784	2.2
163.10013	1.4
163.11313	15.0
165.12802	3.4
169.01428	2.2
171.10300	4.3
179.10803	0.9
180.25327	0.7
181.12355	6.9
181.57944	0.7
185.11842	2.8
187.09741	0.9
189.09236	1.8
191.10808	1.2
199.13434	1.0
201.11305	2.4
207.10274	58.8
208.10643	4.0
209.11842	100.0
210.12216	6.1
217.12292	0.7
223.13387	1.5
225.11331	47.9
226.11708	3.8
227.12892	16.0
235.08238	3.4
236.08508	0.7
243.12341	2.9
245.11862	1.0
247.13460	0.9
249.11348	1.7
251.12895	0.7
253.09270	9.0
263.12906	0.7
265.14536	1.1
271.04660	0.8
299.14948	1.2
355.22763	0.8
373.23770	2.0
399.21805	4.4
417.22717	5.4
435.23828	1.0
443.19284	2.9
461.20264	15.3
462.20703	2.4
568.02502	0.8
609.33160	0.7
625.32214	0.8
635.30792	9.0
636.31018	2.0
653.31824	15.7
654.31866	2.8
671.32886	32.6
672.33289	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01382	9.1
68.79396	0.4
71.01385	6.1
71.05018	0.5
73.02965	0.9
80.02670	2.0
81.03461	3.9
83.01384	0.9
83.05028	7.5
84.02169	1.0
85.02949	1.3
87.00859	1.4
89.02443	3.1
93.03452	1.4
95.01437	0.5
95.05020	2.3
97.02955	5.6
97.06589	0.9
99.00900	1.2
101.02455	5.6
106.04220	0.5
107.05035	1.4
107.77891	0.5
109.06593	20.5
110.03751	1.3
110.06939	0.7
111.04507	0.6
113.02456	2.7
119.03451	1.0
121.06609	1.5
125.02382	0.8
125.06066	0.6
125.08937	0.6
125.09733	2.5
133.06583	0.6
135.08148	2.5
136.05289	1.2
137.09753	0.5
142.02696	1.6
145.10245	0.6
161.04553	1.6
161.09714	1.7
163.11295	15.8
164.11609	0.6
165.12843	2.9
168.18179	0.4
171.10252	3.0
179.10748	0.8
181.12383	4.0
185.11827	1.8
187.09711	0.6
189.09215	1.3
191.10834	0.7
201.11290	0.8
207.10271	56.6
208.10616	3.9
209.11832	100.0
210.12186	6.2
213.09175	0.7
217.12251	0.5
221.11792	0.9
223.09799	0.7
223.13391	0.7
225.11313	27.7
226.11662	1.4
227.10675	0.9
227.12874	12.3
228.13185	0.8
231.10249	1.4
235.08188	3.3
235.13414	0.6
247.13501	0.8
249.11322	2.0
253.09320	9.8
263.12839	1.6
265.14435	0.8
299.14703	1.2
355.22781	0.7
373.23962	0.6
399.21762	6.9
400.21887	0.9
405.17587	0.7
407.24194	0.6
417.22794	5.7
435.23676	1.4
443.19131	2.4
461.20306	10.1
462.20389	0.7
485.20288	0.5
491.26871	0.6
559.93127	0.5
625.32605	0.6
627.30273	0.6
635.30621	10.7
636.31122	1.8
653.31757	13.2
654.32245	1.8
671.32837	25.8
672.33136	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	671.199
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.66639	0.6
54.64912	0.6
59.01384	1.6
59.25650	0.6
61.98834	1.7
67.01898	0.8
69.03462	0.9
70.57233	0.8
71.01379	3.9
71.61390	0.9
72.99308	2.4
74.99046	0.6
75.30549	0.6
79.01900	1.4
81.03471	0.7
83.01387	1.2
83.45896	0.5
85.02954	1.4
87.00887	1.0
89.02444	1.0
94.58951	0.6
95.01390	2.5
96.84932	0.5
96.96033	1.2
97.02976	2.2
101.02454	1.6
107.01398	11.9
109.02962	1.5
111.00888	2.4
112.08607	0.6
113.02481	1.5
121.02940	1.5
123.00902	12.8
123.04488	0.9
124.01659	1.9
124.86988	0.7
125.02461	56.1
126.02778	2.0
135.04491	2.1
135.05417	0.6
136.01663	11.9
136.05205	0.6
136.98988	0.9
137.02390	1.7
139.00398	5.5
139.04024	1.5
140.01181	4.3
141.01918	2.3
145.02948	1.3
149.02440	0.6
149.06175	0.6
149.82567	0.6
150.03218	0.7
151.00400	9.6
151.04024	9.9
153.01979	1.0
161.02519	0.8
163.03963	1.4
168.00671	5.0
169.01443	68.5
170.01741	2.7
175.03955	0.7
176.04745	0.8
179.03525	1.3
181.05070	0.8
183.03000	4.4
189.32083	0.6
191.07169	1.1
195.06708	0.8
201.11259	0.9
209.11876	0.7
211.02443	2.7
253.03629	0.7
271.04541	2.4
275.02014	0.7
279.06561	0.6
289.07156	0.8
300.99915	0.7
312.09998	0.7
313.05670	16.5
313.09641	1.0
313.10895	1.2
327.07028	1.0
327.12552	1.1
343.11899	2.2
348.10773	0.6
519.19031	1.6
664.63708	0.8
671.19916	100.0
672.20178	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	671.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02522	0.7
57.03452	1.5
59.01375	2.1
61.98817	1.9
67.01881	1.0
68.99822	0.9
69.03448	1.3
71.01395	4.8
72.99309	3.4
73.02945	1.3
79.01884	1.1
83.01398	1.7
85.02950	2.3
87.00888	1.5
88.98804	0.9
89.02412	0.9
95.01380	2.3
96.96008	2.6
97.02929	0.8
101.02443	2.7
107.01402	11.0
109.02952	1.7
111.00887	1.9
113.02438	1.6
116.92889	1.0
117.03442	0.7
121.02984	2.0
123.00899	12.9
123.04520	1.0
124.01712	1.3
125.02454	58.6
126.02789	1.5
126.90472	0.9
135.04552	2.5
136.01671	11.2
136.05229	0.8
136.98869	1.6
137.02446	2.5
139.00392	4.7
139.04024	1.7
140.01186	4.4
141.01964	1.6
145.02917	1.8
146.03712	1.1
149.02502	1.2
149.06113	1.1
150.03244	1.3
151.00386	8.4
151.04018	8.8
153.01927	1.1
154.01064	0.7
161.02481	1.5
162.03229	0.8
163.04045	0.9
165.05521	1.2
165.09236	1.1
166.99812	0.7
167.03534	0.7
167.07117	0.9
168.00636	5.6
169.01439	69.5
170.01747	2.4
179.03572	1.8
181.04991	1.2
183.02928	4.5
193.01532	0.9
202.11639	0.8
209.11905	0.9
211.02496	8.9
241.03578	1.6
271.04608	8.6
275.01962	1.0
300.99893	1.7
307.08298	1.0
313.05701	15.4
313.10852	1.8
314.06372	0.8
327.12582	1.5
331.06805	1.3
343.11526	1.7
509.31955	0.9
519.18671	6.4
520.18738	0.8
653.18707	1.4
653.31085	0.8
671.19910	100.0
672.09174	1.3
672.20233	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	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01387	3.2
59.61462	0.3
61.98828	0.4
62.04575	0.3
69.03463	1.1
71.01378	2.9
71.05045	0.4
73.02958	0.6
79.68469	0.3
80.02702	1.0
81.03473	0.8
83.05031	5.0
83.14539	0.3
84.02192	0.6
85.02979	0.6
85.06646	0.3
87.00877	0.7
89.02470	1.5
95.01412	0.3
95.05034	0.8
97.02931	0.3
97.37103	0.3
101.02456	2.8
106.11966	0.3
109.06568	0.6
112.42665	0.3
113.02440	1.2
119.03496	0.6
125.09705	0.7
128.72841	0.3
130.45953	0.3
133.88159	0.3
135.08167	0.5
143.03535	0.4
145.05063	0.4
161.04555	1.0
163.11310	3.1
165.12854	1.6
167.10808	1.7
171.10262	1.9
179.05620	0.6
179.10840	0.6
179.14430	1.2
191.10799	0.6
195.13918	4.8
205.12306	4.8
206.12752	0.4
209.11833	100.0
210.12170	5.9
223.13397	60.6
224.13776	4.1
227.12881	14.2
228.13196	0.9
235.08234	3.4
253.09293	8.7
261.14938	1.5
415.24661	0.5
441.21317	0.8
445.20737	2.0
459.16605	0.5
459.22458	4.1
460.22647	0.7
633.32806	1.1
651.33661	1.0
655.51788	0.3
669.33673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62487	0.5
57.03442	1.1
58.38261	0.4
59.01372	2.3
61.98833	6.2
64.93668	0.5
65.07735	0.4
71.01388	1.5
80.61886	0.4
83.05051	2.5
83.33481	0.4
85.02958	1.2
87.00881	100.0
88.01225	1.5
88.98790	0.5
89.02426	0.5
96.96030	0.5
101.02451	1.1
116.92864	1.1
119.05054	0.6
121.06619	0.5
123.00906	0.6
125.02432	1.5
127.04034	1.6
135.04568	1.2
136.05307	13.7
139.00404	0.6
145.02985	1.0
149.06068	3.4
150.06862	2.2
151.00304	0.6
151.07663	0.7
162.06808	0.7
163.04028	0.6
163.07596	0.5
164.08415	1.5
165.05556	0.5
165.09207	9.1
165.50076	0.4
169.01411	1.9
235.11446	0.5
299.99103	1.1
300.99960	1.1
320.19940	1.1
335.22287	9.1
335.26163	0.7
336.22717	0.7
346.21631	0.7
361.23859	7.4
401.27054	2.3
402.27246	0.6
418.27545	0.6
419.28058	19.8
420.28445	2.1
463.30847	1.3
489.28534	0.7
507.29367	1.0
507.35989	0.7
581.33057	0.5
631.33264	0.9
651.33881	5.5
652.34192	1.1
669.34808	25.3
670.35175	4.7
686.96173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03442	2.2
58.00607	2.2
58.11076	1.2
59.01101	1.7
59.01384	25.5
60.00330	1.2
61.98822	11.7
65.03948	1.9
66.43458	1.3
69.03462	2.6
70.60303	3.9
71.01388	22.9
72.99315	1.8
73.02950	3.9
80.02673	3.6
81.03449	6.2
83.01380	3.2
83.05025	7.5
85.02930	5.1
87.00857	4.4
89.02446	9.4
93.03474	2.5
95.01361	2.9
95.05065	6.4
97.02507	1.1
97.02958	11.1
97.06580	5.8
99.00832	1.9
101.02454	10.5
105.64430	1.6
107.04993	2.2
108.02178	3.1
109.02969	2.0
109.05883	2.1
109.06603	36.5
111.04510	2.6
111.08123	1.7
113.02457	7.8
117.26302	1.4
121.02956	2.6
121.06587	3.9
123.04504	3.7
123.08163	4.4
125.02434	2.6
125.09730	26.3
133.05072	1.3
135.04504	2.1
135.08183	7.9
136.05241	3.9
137.02415	1.5
142.02675	4.0
145.03004	1.3
145.05092	2.2
161.04507	3.7
161.09683	5.8
163.11295	22.0
165.05450	1.4
165.09259	1.5
169.08641	1.5
171.04488	1.4
171.10283	2.7
175.11263	3.4
179.10786	2.9
181.12389	6.5
185.11768	3.9
187.09781	10.5
189.09181	2.2
191.10703	4.2
191.14464	1.4
192.11038	1.2
193.12236	2.1
199.09634	1.9
203.10733	2.1
205.08652	2.7
205.12308	2.1
207.10280	90.3
208.10529	4.8
209.11855	39.1
210.12143	1.9
211.13319	3.1
219.10226	4.2
219.13843	3.7
221.11722	2.5
223.09831	7.2
223.13396	12.1
225.11322	47.5
226.11632	2.2
227.10869	1.6
227.12926	9.0
229.08719	1.8
229.12474	1.6
235.08176	5.6
235.13367	2.0
237.11189	4.0
237.15146	1.6
245.11736	2.9
251.12758	1.8
253.09348	9.2
261.11215	2.2
263.12875	6.5
273.11148	1.9
287.13135	1.5
317.21155	1.6
325.17883	1.8
325.21606	2.5
327.19562	3.5
343.18875	2.2
345.20819	2.6
353.17380	2.1
353.21289	2.1
361.20160	2.8
363.21765	1.8
369.20599	3.7
371.18405	5.9
371.22488	2.7
379.19424	2.0
387.21646	4.7
389.19449	8.6
397.20248	9.8
405.17700	2.2
405.22678	2.4
415.21234	24.6
416.21860	3.2
433.22253	6.6
443.18942	3.5
447.31131	1.9
461.20303	13.0
462.20663	1.5
489.24518	1.8
491.82849	1.6
597.29163	6.4
607.27533	20.4
608.27942	2.6
623.30597	4.8
625.28632	39.0
626.29022	6.5
633.29431	16.9
634.30249	1.5
639.29700	1.8
651.30280	100.0
652.30756	16.3
669.31195	47.9
670.31805	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	669.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17750	0.8
57.03445	1.9
59.01381	6.6
61.98835	4.0
69.03442	3.3
71.01383	6.9
71.05008	1.4
72.99327	0.9
73.02951	1.7
75.00880	0.8
78.95907	1.0
83.01398	1.4
83.05022	1.9
85.02945	3.3
87.00875	1.5
89.02448	3.4
95.01403	0.7
97.02968	1.0
99.00871	1.2
101.02435	5.1
109.02953	0.8
109.06576	1.8
111.04465	0.9
113.02445	3.9
116.16037	0.7
125.09726	3.1
135.64046	0.8
151.11295	1.9
153.12807	1.5
161.04620	1.4
161.09720	3.0
163.11252	2.1
171.10199	1.5
179.10771	8.6
195.13858	1.2
197.11838	78.5
198.12141	3.3
199.13644	0.9
205.08623	1.0
205.12253	1.2
207.10295	4.8
208.10617	1.1
209.11838	58.9
210.12157	2.5
211.13387	5.0
212.33344	1.0
217.46107	0.9
221.11751	1.8
223.09741	3.2
223.13399	8.4
225.11314	3.3
227.12880	2.6
235.08272	2.0
239.12889	1.5
241.10767	3.3
253.09381	4.5
300.99884	1.2
403.85776	0.9
431.12622	0.9
447.30981	1.0
459.18649	2.0
477.19968	2.6
651.30499	4.1
669.31299	100.0
670.31610	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	669.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12510	0.6
56.73074	0.5
58.73024	0.5
59.01375	2.3
60.99333	0.5
61.98832	17.7
63.02389	1.4
65.00323	2.4
70.12227	2.4
71.01387	2.0
73.02950	0.6
81.23158	0.6
83.01387	2.5
85.02962	1.2
87.00860	1.3
88.98833	2.7
89.02452	0.9
91.01928	0.5
93.03443	0.7
95.01388	0.9
96.95979	0.8
101.02438	0.6
107.01385	5.6
108.02200	1.6
109.02958	2.7
116.92876	2.4
117.03469	1.1
121.03000	3.7
121.03809	0.7
121.04874	0.5
123.00880	2.5
123.04536	1.6
125.02470	4.5
135.00934	0.9
137.06093	0.6
138.03261	0.5
139.00320	1.0
139.40190	0.5
140.01106	1.2
145.02953	3.6
147.04556	0.7
148.01682	1.4
149.02386	1.5
150.06876	0.6
150.99159	1.3
151.00378	22.5
151.03894	0.7
152.04805	1.2
153.05602	1.0
161.02426	0.8
161.09856	0.7
163.00385	4.5
163.01582	0.7
163.03992	1.4
163.07654	0.7
165.05595	2.0
168.00668	0.7
169.01424	6.6
171.10274	0.6
178.99876	11.0
179.10759	0.7
183.04506	0.6
187.04044	1.4
192.00613	0.6
193.01343	0.6
198.03419	0.6
199.03868	0.5
207.10223	0.9
209.11853	1.9
211.02289	0.7
211.04030	2.1
215.03633	0.8
216.04272	0.7
223.09901	0.9
225.11276	0.9
226.02708	2.2
227.03503	3.9
228.03986	0.7
229.04977	1.5
243.02962	13.9
244.03477	0.8
245.04544	2.3
254.02129	2.7
255.02988	33.0
256.03384	1.5
257.04639	1.0
271.02472	68.1
272.02921	5.8
273.04111	2.2
281.57083	0.6
283.02365	2.7
299.01947	2.3
300.02750	100.0
301.03506	88.6
301.07178	0.7
302.03818	5.2
343.04608	0.6
371.24591	0.6
463.08795	36.7
464.09274	4.1
489.28882	1.0
507.33954	0.7
625.19232	46.7
626.19446	7.9
651.30328	0.7
669.18298	21.4
669.31561	15.3
670.18433	3.5
670.31549	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	669.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
60.34497	0.5
61.98830	5.5
63.02391	1.8
65.00334	2.6
69.88776	2.8
71.01364	0.5
83.01384	1.7
87.00888	0.8
89.02469	0.7
93.03474	1.0
98.19962	1.0
101.02494	1.1
103.37749	0.6
107.01385	4.9
108.02205	1.3
109.02933	2.7
113.02397	1.0
117.03531	0.6
121.02963	3.7
122.34621	0.6
123.00906	0.7
123.04518	1.2
125.02467	2.0
133.03091	0.7
135.00874	0.9
136.05270	0.8
137.02446	1.2
145.02957	2.3
148.01709	2.0
149.02472	0.8
151.00380	20.6
152.00813	0.5
153.01953	0.7
159.78188	0.6
163.00389	3.0
164.01152	0.9
165.05582	0.9
169.01428	4.2
175.04013	0.9
178.99864	9.9
179.10728	1.1
185.02475	0.8
187.04051	0.8
190.99756	0.9
192.00696	0.7
199.04051	0.9
201.01813	0.6
201.05545	0.9
203.03563	1.1
207.10268	0.9
209.11815	1.1
211.04027	1.6
213.01855	0.9
215.03571	0.6
226.02695	2.3
227.03510	4.4
229.05080	1.1
243.03009	14.8
244.03583	0.9
245.04631	1.7
254.02197	2.5
255.02995	30.5
256.03418	2.1
271.02490	67.7
272.03040	6.3
273.04013	1.6
283.02466	3.1
299.01965	1.9
300.02765	100.0
301.03522	97.5
302.03882	6.2
463.08844	46.3
464.09253	5.9
507.29926	0.7
625.19312	32.4
626.19617	4.7
641.34149	0.6
669.18311	19.4
669.31946	5.1
670.18634	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	669.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.1
61.98839	1.6
69.34538	3.2
71.01379	0.8
73.02943	0.5
85.02946	0.5
87.00892	0.4
96.95982	0.6
98.19901	0.7
101.02479	0.7
113.02406	0.5
113.26311	0.4
119.05007	0.5
120.99678	1.4
123.00901	0.5
123.04559	0.5
125.02486	1.4
135.04494	0.5
137.02431	0.5
139.03946	0.5
145.02948	1.1
151.00420	0.7
157.02922	0.4
160.01653	0.6
163.03944	0.5
168.00781	0.6
169.01482	1.0
172.01668	1.2
173.02402	0.9
183.58778	0.4
185.02463	1.4
191.03435	0.5
200.01129	1.3
201.02010	1.4
207.23833	0.4
209.11948	1.0
211.02518	0.6
216.00601	2.1
217.01422	0.7
226.99757	0.7
228.00635	1.9
229.01445	3.1
242.99353	0.7
244.00127	2.5
245.00809	1.0
249.04155	0.6
251.09319	0.8
257.00919	1.6
270.98840	1.2
271.04648	0.6
271.99567	1.4
273.00232	0.7
275.01843	0.8
282.98840	0.8
283.99689	1.8
298.98474	1.0
299.99127	50.5
300.99890	100.0
302.00232	6.0
445.04080	1.8
457.02365	2.7
457.52399	1.5
463.05136	1.2
625.15674	1.2
651.14404	0.4
656.99780	0.5
669.14642	40.5
669.32568	1.5
670.15002	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	669.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58313	0.5
57.87360	0.4
59.01378	1.0
65.03962	0.7
69.76396	0.4
71.30912	0.8
79.05521	0.4
99.00908	1.1
105.03446	1.2
105.07120	0.5
107.05016	1.5
109.02931	0.5
111.00872	0.5
117.03398	0.7
119.05001	1.5
121.02941	1.3
121.06598	2.6
123.00941	0.4
123.04541	1.0
125.02436	1.2
128.18643	0.4
131.05016	0.6
133.06601	6.8
135.04535	3.1
137.02458	1.8
143.04984	1.0
145.02924	3.0
146.03746	1.0
147.04477	1.0
149.02446	3.0
149.06090	2.2
149.64063	0.5
151.04025	7.2
159.04538	5.2
161.02455	1.0
161.06093	12.4
162.03244	3.2
163.04018	20.5
164.01129	0.8
164.04372	1.2
165.01912	1.3
169.01418	1.1
175.03981	1.6
177.01958	0.9
177.05559	6.1
186.45323	0.4
187.02472	0.7
187.04022	8.7
188.04697	0.5
190.02731	5.1
191.03503	1.0
193.01419	17.7
194.01768	0.7
203.03497	2.2
204.04311	0.7
205.05060	24.4
206.05397	1.1
219.03096	0.6
221.04608	0.5
231.02921	1.1
233.00784	0.9
235.02432	0.8
237.00391	2.2
247.02437	0.5
249.04045	16.0
250.04382	0.9
261.00595	0.5
275.01999	1.0
293.02957	2.8
300.99927	0.8
337.02011	100.0
338.02307	7.5
690.64258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85126	0.7
60.99324	4.3
70.23988	1.3
70.24381	1.5
88.98810	20.8
90.90125	0.9
96.96062	0.8
107.01388	1.1
108.02202	1.1
116.47527	1.1
139.12444	1.0
151.00345	3.4
178.99811	3.1
227.03532	2.1
243.02924	8.4
244.03430	0.8
254.02225	2.0
255.02968	21.0
256.03220	1.2
271.02463	47.7
272.02933	4.3
299.02014	2.1
300.02753	92.8
301.03238	10.2
447.61179	0.8
512.43579	0.8
579.13556	100.0
580.14014	13.7
641.23694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01392	1.5
61.98844	4.7
62.64943	0.3
63.41455	0.4
69.51827	0.8
69.52242	2.1
69.96774	0.3
70.81711	0.4
71.01385	1.9
77.47459	0.4
84.41798	0.4
85.02975	0.8
87.00915	0.9
88.98848	0.9
89.02445	0.7
96.96043	1.3
101.02478	1.4
107.01395	0.4
109.02941	0.4
111.00886	0.4
113.02498	0.9
116.55298	0.4
116.62144	0.4
116.92847	0.4
117.03483	0.4
119.05048	0.4
122.41245	0.4
123.00922	0.8
124.01704	0.4
125.02485	1.6
129.94958	0.4
135.04588	0.4
136.05270	0.5
139.00334	0.4
139.04070	0.4
145.02980	1.3
151.00436	1.3
160.01721	0.5
163.04005	0.8
165.09259	0.6
168.00760	0.4
169.01427	1.9
172.01640	1.0
173.02484	0.8
185.02483	1.2
195.06720	0.5
200.01184	0.9
201.01921	1.3
211.02554	0.5
216.00703	1.0
216.07906	0.5
226.99857	0.7
228.00594	1.1
229.01413	2.7
232.03406	0.4
242.99437	0.9
244.00153	2.1
245.00972	1.1
257.00909	2.2
270.98801	1.3
271.99612	1.0
282.98837	0.8
283.99640	2.1
285.00671	0.5
297.00320	0.5
297.23807	0.4
298.98376	0.8
299.95486	0.4
299.99142	39.2
300.99911	100.0
302.00220	6.7
307.19150	0.4
447.31534	0.5
463.05280	1.7
507.28983	0.5
507.35754	0.6
574.77917	0.4
625.15424	0.8
653.76636	0.5
669.14600	29.4
669.32220	2.1
669.40344	2.5
670.14703	3.9
670.32281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.0
57.03457	2.2
58.00581	1.3
59.01386	23.4
61.32681	0.4
61.98837	8.5
65.16817	0.5
69.03426	0.5
69.47732	3.9
71.01387	30.7
71.72685	0.4
72.99310	1.7
73.02956	8.7
74.72796	0.4
75.00890	1.1
75.07781	0.4
78.83177	0.4
81.70954	0.4
83.01385	6.4
85.02958	14.3
86.00091	0.7
87.00888	4.4
88.98813	0.8
89.02451	8.0
93.03458	1.8
95.01385	2.4
96.96027	2.1
97.02944	0.9
99.00908	3.7
100.95203	0.4
101.02453	23.4
111.00889	5.8
113.02464	11.0
116.92903	0.8
117.03491	0.9
119.03539	2.4
119.05024	1.3
123.00867	0.9
125.02488	2.4
129.01974	1.0
135.04532	1.0
137.02467	3.5
141.01993	0.9
141.12933	0.6
143.03528	1.0
145.02946	4.0
150.03197	0.5
159.02986	2.1
161.04572	2.7
161.05971	0.8
163.04030	2.1
165.05524	0.7
169.01442	1.3
171.13901	3.8
179.03464	1.3
179.05592	0.5
205.05060	1.0
212.94133	0.5
235.06087	1.1
238.63684	0.4
260.70166	0.4
265.07278	2.2
273.36292	0.4
307.08170	0.5
311.09232	0.6
313.27448	0.5
326.11795	0.6
343.28452	1.5
349.20441	0.5
377.95313	0.5
505.33932	17.8
506.34540	2.2
535.54987	0.5
605.25970	1.7
631.33569	1.1
667.39191	100.0
668.39557	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	667.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64776	0.6
55.01876	0.8
55.71915	0.7
57.03452	2.0
59.01385	19.3
61.98840	5.2
69.03460	3.9
69.44764	5.2
71.01389	12.3
71.05048	1.3
72.99319	1.6
73.02960	1.8
75.53436	0.6
78.22237	0.7
80.02683	1.4
81.03461	4.3
83.01394	2.6
83.05026	4.3
83.22433	0.7
85.02950	3.9
87.00881	3.4
89.02444	8.2
93.03464	1.0
95.01408	1.3
95.05037	2.7
97.02959	10.7
97.06599	1.1
98.19870	1.1
99.00900	2.7
101.02457	10.1
104.27021	0.7
107.05109	0.7
109.06601	40.6
110.03741	1.5
110.06958	1.4
111.00885	1.1
113.02471	5.6
119.03519	2.1
119.05024	1.2
121.06618	2.8
123.04522	1.4
123.08147	0.9
125.02448	2.8
125.09771	3.5
127.93178	0.6
131.03604	0.8
135.04536	0.9
135.08159	4.6
136.05324	2.7
137.02422	1.3
139.04027	0.9
142.02721	2.5
143.03548	1.4
145.05074	1.4
145.10237	0.9
148.81015	0.8
149.09723	1.4
153.09229	0.8
161.04591	3.4
161.09732	3.2
163.11302	22.1
164.11705	0.7
165.05656	0.8
167.10788	3.9
171.10252	4.5
179.05640	1.1
179.10820	2.3
179.14438	3.5
180.14729	0.7
181.12373	5.8
185.11794	4.3
187.11317	0.8
189.09241	2.2
195.13910	8.2
197.11876	1.3
201.11348	1.1
205.12346	8.3
207.10275	100.0
208.10619	6.1
209.11844	5.5
211.13377	0.8
215.14467	0.8
221.11772	1.0
223.13402	69.0
224.13750	4.1
225.11327	58.5
225.14568	0.9
226.11694	3.8
228.60068	0.7
233.15585	1.2
235.08180	5.1
235.13451	1.2
253.09334	12.7
254.09706	1.0
259.13406	2.1
261.14926	0.7
263.12753	1.4
287.16547	1.0
297.60416	0.8
299.14929	0.9
306.99033	0.7
341.24954	0.9
351.23230	2.9
359.25745	0.6
367.22498	1.0
369.20453	1.2
369.24460	1.6
377.21213	1.4
385.23965	4.7
387.21707	1.0
395.22241	8.5
396.22491	0.9
403.24759	3.4
413.23367	21.8
414.23615	1.7
431.24283	8.1
432.24570	1.3
439.69717	0.7
443.19376	5.3
444.19452	0.9
459.22305	2.7
461.20273	19.9
462.20569	1.0
487.27524	0.9
487.34299	12.2
488.34369	1.3
505.28488	0.8
545.17731	0.7
605.29230	1.1
621.33075	2.5
623.31744	0.8
631.31024	4.8
632.31769	0.9
639.34039	0.8
649.32336	33.7
650.32825	6.4
667.33337	45.4
668.33734	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	667.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56110	2.3
70.07798	11.0
73.02926	3.8
78.95928	4.8
96.96940	3.2
107.09106	2.4
125.02486	2.7
150.75041	2.2
190.02625	2.4
193.01424	3.8
203.03520	4.3
215.03494	3.1
243.03065	3.7
259.02356	4.1
271.02344	3.0
273.00317	2.4
273.03760	2.6
274.01260	9.7
275.02002	6.7
287.02002	8.9
288.02734	11.6
293.04813	2.7
295.02557	3.4
298.01242	6.7
299.01929	7.3
301.00125	4.6
301.03528	7.9
302.04245	7.8
311.01877	5.8
312.02557	5.0
313.03558	7.5
317.03073	4.8
323.02188	2.8
327.01349	8.1
329.02960	4.8
337.03326	3.8
339.01483	3.4
340.01999	3.1
341.03043	5.9
353.02808	3.5
355.04675	4.2
369.02240	4.6
379.04782	3.4
429.04367	3.2
461.03531	27.1
462.03552	3.1
481.05945	2.6
497.61771	3.2
503.04822	13.6
515.04529	3.7
587.06696	3.2
605.07672	8.6
623.08862	4.2
631.05756	2.8
649.06952	7.5
666.96600	5.0
667.07928	100.0
668.08221	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	667.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.1
60.35480	0.6
61.98835	1.7
67.01882	1.5
69.03430	0.6
71.01370	1.5
71.60804	0.7
71.61161	0.6
79.95737	21.3
83.77348	0.6
88.21777	0.7
95.01405	1.5
95.95228	11.1
96.96014	100.0
101.02467	1.2
103.00381	0.6
107.01394	6.9
109.02930	0.7
110.97575	7.6
111.00888	2.5
116.92876	0.7
121.02932	3.3
123.00886	6.9
124.01669	3.5
125.02455	13.1
127.00410	1.3
136.98874	1.6
137.02429	1.7
138.03127	0.7
139.00394	2.9
139.04004	6.3
140.01192	1.9
149.02403	0.7
150.03171	1.3
151.00380	2.6
151.04002	1.3
152.01170	4.2
153.01913	3.0
153.05597	2.0
163.03979	1.0
165.01900	2.2
165.05605	1.3
166.02695	2.2
167.00113	3.0
167.03477	3.7
168.00624	4.8
169.01422	13.1
170.89001	0.6
175.03966	0.8
177.01924	1.3
178.02736	0.7
180.04269	1.7
181.05060	2.7
182.02248	1.0
183.02983	20.5
184.03282	1.0
189.05479	1.1
193.04984	0.9
195.06616	1.7
197.04578	4.1
207.06619	0.8
238.75153	0.7
271.02191	0.7
289.03781	0.9
299.02689	0.8
300.99890	1.5
361.05963	0.9
365.80917	0.7
445.88336	0.8
485.07892	4.4
500.10001	3.8
515.12280	94.6
516.12531	9.1
572.15283	1.9
587.17700	31.6
588.18109	4.3
645.19598	1.1
667.13312	52.1
668.13477	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	661.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
57.03444	2.7
58.00600	1.8
59.01384	38.5
61.98836	28.3
67.73236	0.8
69.03465	1.1
71.01391	31.0
71.05042	1.1
72.99306	3.6
73.02950	4.1
83.01395	3.7
85.02966	10.8
87.00887	3.3
87.04517	6.8
88.72650	0.9
89.02450	27.1
91.14120	0.9
95.01412	2.1
96.96037	4.1
99.00900	2.0
101.02458	23.8
111.00921	1.2
113.02460	11.8
113.06127	3.6
119.03509	12.3
125.02461	3.0
127.04018	1.0
131.02026	0.9
131.03511	1.3
135.04533	1.9
137.02414	1.3
139.07614	0.9
143.03542	2.4
151.00404	1.6
151.11302	1.9
153.05533	1.4
161.04572	2.2
165.05591	1.6
169.01498	1.4
169.12360	3.5
179.03671	1.3
179.05605	6.1
185.11856	1.4
187.13411	2.4
197.11830	2.3
209.11800	3.0
215.12920	1.1
253.09219	1.1
341.26947	0.9
423.31311	1.1
455.33817	19.5
456.34131	3.5
601.35870	2.9
617.39099	100.0
618.29980	1.2
618.39496	16.0
640.45435	1.0
643.33838	1.8
661.22601	1.5
661.35693	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	665.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25748	0.1
57.03460	0.6
59.01094	0.2
59.01383	3.4
60.40293	0.1
61.98834	0.4
66.13238	0.1
69.03461	2.3
71.01386	2.3
71.05030	0.8
73.02958	0.4
83.01391	0.3
83.05022	0.5
85.02960	0.5
85.06610	0.3
87.00895	0.5
89.02448	1.5
91.50549	0.1
93.03457	0.3
95.01400	0.1
95.05033	0.4
97.02966	0.2
97.06600	0.3
99.00892	0.2
101.02450	2.4
103.03963	0.2
108.05809	0.2
109.06597	0.5
111.08131	0.2
113.02439	1.2
119.03495	0.5
121.02961	0.1
123.08224	0.2
125.02479	0.2
125.09802	0.3
135.11819	0.3
141.09271	0.2
143.03474	0.3
145.05034	0.4
149.09734	0.5
153.09181	0.2
161.04568	1.1
161.13361	0.4
167.10783	3.5
177.12875	0.6
179.05611	0.5
179.10855	1.3
179.14432	3.5
180.14757	0.1
195.13907	10.5
196.14240	0.6
197.11838	0.2
205.12337	9.7
206.12698	0.6
223.13400	100.0
224.13756	6.1
235.08235	2.3
253.09312	5.2
254.09657	0.3
274.86133	0.1
367.26309	0.3
385.24048	0.1
403.24670	0.2
411.25601	0.7
429.26392	1.1
441.21213	1.5
459.22360	10.6
460.22739	1.1
466.51868	0.1
485.32678	0.2
595.30981	0.4
621.32874	0.3
647.34406	1.2
648.34882	0.2
665.36035	1.1
666.34656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42559	1.5
59.01391	1.9
69.51598	9.7
71.01387	2.9
71.64735	1.2
72.99306	2.1
77.96571	1.5
79.05503	1.3
85.02940	2.4
95.01402	1.6
96.95982	2.0
101.02415	1.9
105.07080	2.6
106.04278	1.4
107.01404	2.3
109.02940	3.7
115.05505	1.6
117.03420	1.5
119.05033	9.1
121.02901	2.2
123.00861	3.4
123.04492	1.7
124.01686	1.5
125.01626	2.0
125.02453	24.7
131.05020	4.6
133.02899	1.4
133.06567	2.2
135.04509	3.4
137.02443	5.3
143.31511	1.6
145.02948	3.2
147.04524	9.5
149.02374	1.8
149.06079	23.8
150.03247	1.9
151.04030	1.6
151.36719	1.5
159.04486	9.2
161.02391	5.3
162.03218	5.5
163.03966	8.9
165.05559	3.3
168.00601	1.2
169.01431	40.5
173.02347	2.3
175.02525	2.3
175.03986	29.8
176.04642	6.1
177.01941	3.7
177.05569	53.1
178.02650	1.5
189.01936	3.6
190.02654	3.3
191.03494	33.7
192.00517	1.5
192.03978	1.4
193.04985	4.5
201.01811	1.5
203.03488	43.6
204.03839	2.3
205.01213	2.1
219.02974	6.8
220.03688	8.5
221.04546	22.5
229.01318	3.0
231.02963	3.4
235.02460	19.2
245.00877	1.7
247.02443	25.5
248.02686	2.3
249.03975	2.0
261.13385	1.5
264.02408	1.7
265.03516	46.7
266.03720	2.4
275.01993	5.6
277.03448	2.7
289.07120	6.0
291.01462	2.7
299.98920	1.6
300.99899	13.3
302.00159	2.4
313.05542	3.8
321.06021	4.7
337.05728	2.4
348.59924	1.6
354.00476	1.7
379.06589	5.7
409.07742	100.0
410.08099	6.9
423.05734	2.0
427.08813	1.9
453.06747	31.5
454.07028	4.4
522.56464	1.8
535.10736	1.6
549.08783	26.5
550.09216	3.4
579.09875	33.0
580.10150	3.9
590.45825	1.7
593.07690	5.0
613.04492	3.2
623.08826	11.9
644.81036	1.4
667.07709	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	659.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43903	1.6
55.01882	2.6
57.03455	3.5
58.00605	1.6
59.01386	24.9
61.98838	18.2
65.14832	1.5
69.03464	2.7
71.01392	29.3
71.05029	2.6
71.61533	2.9
72.99330	1.6
73.02953	6.8
81.03479	2.4
83.01396	6.9
83.05046	6.6
85.02966	11.9
87.00890	4.9
89.02467	12.3
95.01378	4.0
96.19204	1.6
96.96019	25.5
97.02953	2.2
97.06586	2.9
99.00865	5.4
101.02464	21.8
107.01398	3.7
110.26733	1.6
111.00930	2.4
113.02460	12.0
119.03516	4.6
123.00900	6.3
123.08205	2.4
125.02473	13.7
135.04553	3.2
137.06061	1.9
138.01953	2.3
139.00331	3.0
140.01158	1.8
141.09222	7.3
143.03545	2.5
151.00394	5.8
151.11293	19.3
152.04845	5.4
161.04591	6.5
162.13194	1.5
163.11281	6.5
165.05618	8.4
165.12883	2.8
169.01440	11.6
169.12355	98.3
170.12671	4.0
171.10283	4.4
179.05603	1.8
181.12520	2.1
185.11879	4.3
195.10349	3.0
197.11819	8.2
199.13385	2.7
207.10312	3.8
209.11848	69.0
210.12157	10.4
211.02361	1.5
211.13623	11.2
212.13802	6.6
213.11349	19.1
213.13651	2.6
225.11336	7.1
226.02875	1.9
227.03189	1.7
227.12956	9.9
228.13107	1.9
230.53738	1.8
235.08334	3.4
243.02962	4.6
253.09250	5.7
255.03017	3.5
271.02408	16.5
271.04507	1.6
300.02756	15.5
301.03345	5.6
313.05612	2.4
320.72772	1.8
395.27954	4.9
431.19699	2.6
435.13080	2.1
449.20166	14.8
453.32260	2.3
475.10486	3.0
496.33875	3.5
497.34348	3.8
557.33429	19.5
558.33771	3.2
599.34314	12.7
615.37769	16.8
641.31378	4.3
659.23328	11.0
659.34015	100.0
660.33679	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	659.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90613	0.5
55.01884	0.7
56.94226	0.5
57.03464	1.7
58.00612	0.8
59.01380	6.7
59.22079	0.4
61.80410	0.4
61.98834	2.5
64.49049	0.5
70.70563	1.4
71.01385	6.4
73.02970	1.6
80.02702	1.1
81.03473	1.8
83.01411	1.1
83.05025	5.9
84.02198	1.3
85.02957	2.4
87.00907	2.1
89.02457	4.0
95.01422	0.9
95.05042	1.9
96.96049	2.2
97.06601	7.6
97.07189	0.7
99.00897	0.9
101.02458	6.5
111.00915	0.5
113.02456	3.3
115.03992	0.6
119.03510	1.3
123.00906	1.1
125.02465	1.8
125.06070	0.8
125.09738	1.0
131.03523	0.5
135.08162	1.1
145.05078	0.8
149.09726	0.7
151.00374	1.0
151.11292	17.5
152.04765	3.1
152.11604	0.7
161.04591	1.6
163.07657	0.8
163.11285	5.5
165.05605	2.5
165.12843	2.7
169.01448	1.7
169.12347	61.8
170.12718	2.0
179.05602	0.7
179.07176	0.6
180.78839	0.6
181.12350	0.9
191.10907	1.2
195.10249	4.2
197.11842	1.0
202.71002	0.5
209.11836	82.8
210.12163	6.3
211.13371	1.6
212.13763	0.6
213.11314	9.8
225.11250	0.8
227.12898	10.6
235.08208	2.2
248.11176	0.5
253.09305	6.3
276.15424	0.6
303.19058	0.5
365.57208	0.6
431.19083	2.5
449.20346	5.8
453.32446	0.5
492.98373	0.6
496.33728	1.0
497.34332	1.8
511.68457	0.5
599.34259	1.4
615.36920	0.8
627.49121	0.6
636.38660	0.7
641.30975	3.3
642.32935	0.6
659.32751	100.0
660.33136	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	659.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09735	1.4
56.16122	1.5
59.01394	7.4
61.98830	13.7
67.01870	1.9
68.99827	1.9
71.01387	8.0
71.60983	1.5
73.02953	1.7
73.19135	1.7
82.18187	1.5
83.01400	2.3
85.02982	3.1
87.00897	1.6
88.98828	2.9
89.02448	6.5
93.03445	2.1
95.01410	5.4
96.96020	6.6
97.02973	2.9
98.73275	1.4
101.02451	3.9
107.01447	2.2
107.05046	2.3
109.02963	5.3
109.06751	1.4
111.00898	3.1
113.02467	2.0
116.92878	1.7
119.05062	1.8
120.99649	2.4
121.02937	2.6
123.00901	14.1
123.04581	3.1
124.01649	2.9
125.02454	12.1
127.00446	2.5
134.03767	1.8
135.04539	8.6
136.05313	10.3
136.98921	1.7
137.02440	26.2
137.06107	1.8
138.03191	4.6
139.00386	9.9
139.04027	3.5
141.01939	1.7
145.02989	3.3
146.03691	1.7
146.97746	1.4
147.04559	7.5
149.02441	3.4
149.06094	6.4
150.03262	3.7
150.06915	4.1
151.00381	23.2
151.04037	3.5
151.07698	2.5
153.01903	7.0
153.05617	6.7
159.04515	4.8
161.02438	4.5
162.03264	2.7
163.04028	4.7
165.01949	89.2
165.05569	2.8
165.09215	15.1
166.02737	48.6
167.03419	4.9
167.07184	1.6
169.01398	7.0
173.02393	2.4
174.03316	2.2
175.04056	9.1
176.01170	4.4
177.01939	5.9
177.05589	6.2
178.02734	5.3
179.03526	25.1
180.04300	56.2
181.05087	79.1
182.05357	2.9
188.01262	2.1
189.01929	3.2
189.05559	2.5
190.02777	4.3
191.03510	15.6
192.04239	10.0
192.52760	1.5
193.05014	8.0
194.05878	3.5
195.03021	4.5
195.06644	57.8
196.07141	1.6
197.04413	1.7
201.11398	3.1
203.03516	29.7
204.04240	3.3
205.05101	4.6
207.06651	12.2
208.03734	2.8
209.08093	1.6
209.11864	2.2
210.05347	12.7
211.06128	5.0
217.05095	1.6
218.02408	3.0
218.05861	24.3
219.06560	2.4
221.04575	6.6
222.05162	1.5
223.06136	5.0
225.07709	31.4
233.04678	2.6
233.08182	36.3
234.08589	2.7
235.06175	4.5
236.06970	20.7
246.01674	5.0
247.02516	21.9
249.07838	1.7
251.09261	86.3
252.09625	4.9
271.02417	2.9
299.99124	4.1
301.00018	3.6
316.02271	2.7
317.03250	2.2
357.09790	2.8
358.10623	4.8
359.11234	2.2
372.12109	2.2
373.13058	6.5
385.13034	4.1
403.14032	4.0
409.08017	5.2
416.11090	3.8
417.11722	3.0
418.12689	3.1
431.13342	6.5
432.14227	7.2
433.15018	34.8
434.15417	3.2
496.33716	5.2
497.35007	27.6
498.35556	2.4
580.56256	1.9
581.16815	2.9
611.21527	18.0
612.21869	2.1
615.17126	7.9
641.21765	2.2
641.35223	4.5
658.35309	2.1
659.23657	100.0
659.36005	10.6
660.24103	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	659.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13636	0.4
58.00587	0.6
59.01379	3.4
59.53761	0.5
61.98833	2.7
65.99555	0.4
71.01385	3.0
72.58641	0.4
72.99329	0.5
73.02939	0.8
79.01923	0.6
79.95747	4.9
81.03503	0.4
83.01381	0.7
83.05029	1.0
85.02956	1.4
85.29478	0.3
87.00894	0.6
88.98818	1.2
89.02457	0.7
93.03462	1.0
95.01407	1.3
95.95249	2.8
96.27180	0.4
96.96021	100.0
97.02988	0.7
97.36557	0.4
99.00911	0.6
101.02433	2.1
107.01389	1.8
109.02948	0.9
111.00900	1.3
113.02464	1.1
123.00906	6.8
123.04533	0.7
124.01601	0.5
125.02465	8.6
127.00374	0.5
136.05356	0.8
136.98865	0.8
137.02455	1.0
139.00394	2.5
139.04083	0.4
140.01175	1.5
141.01950	0.8
149.02441	0.5
150.06786	0.4
151.00395	5.2
151.04019	0.6
152.04819	4.5
153.01988	1.0
165.05579	2.0
167.99275	0.5
168.00676	1.4
169.01448	10.2
170.01878	0.6
185.11803	0.8
186.76483	0.5
195.10295	1.9
209.11839	4.2
210.12228	0.7
211.02547	0.8
211.13309	0.5
213.11304	1.0
217.08948	0.5
227.12875	0.5
235.95050	0.4
255.06551	0.4
273.07999	3.0
289.07312	0.9
291.09003	0.6
299.90518	0.5
313.05652	1.0
338.83286	0.4
365.12921	0.5
369.13660	1.7
414.18927	0.5
465.14456	1.0
492.00159	0.5
496.33926	1.2
497.34988	3.9
540.87946	0.5
544.04700	0.5
569.12970	0.8
615.38287	0.8
641.35486	0.5
658.36108	0.9
659.27380	42.0
659.36914	46.5
660.27814	6.6
660.37329	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	659.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77963	1.0
52.59917	1.0
52.90040	0.9
59.01387	17.3
60.73394	1.0
61.98835	1.6
67.27699	1.2
71.01379	14.2
71.60275	1.9
75.00885	1.5
80.05059	6.6
83.01409	1.7
85.02934	3.4
87.00858	3.3
88.05670	0.9
89.02449	9.1
92.05079	1.0
94.06628	3.9
95.01377	1.5
96.08224	1.7
96.96011	2.2
97.01693	2.7
101.02456	6.2
103.43127	1.0
106.02995	2.8
106.06635	3.2
108.04552	2.5
109.05319	1.5
110.06156	1.3
110.89131	1.0
113.02453	4.5
119.03473	1.8
120.04577	5.7
121.05357	11.5
122.06126	15.5
123.00875	1.3
123.04501	1.4
123.06912	1.1
124.04040	2.1
124.07688	24.4
125.02416	5.0
125.07986	1.1
126.05605	1.2
136.04034	2.5
136.07652	1.1
138.05620	2.0
148.04050	51.9
148.07753	1.3
149.04457	1.1
150.05630	15.3
152.07230	1.3
161.02458	1.3
161.07224	1.0
166.05048	2.5
168.06648	11.4
194.04568	3.9
197.07187	1.4
202.62810	1.0
211.08676	1.3
212.09364	2.0
213.10306	3.1
215.08260	4.0
215.11839	2.7
225.04526	1.5
225.06729	7.9
226.07510	2.3
226.11148	1.3
227.11931	3.9
229.09778	7.7
229.13347	2.1
230.10486	5.8
231.11389	24.4
239.08282	9.4
240.09004	9.9
241.09760	4.0
243.07820	2.2
243.11253	3.2
244.12126	4.5
245.12843	1.0
249.04010	2.5
253.09770	1.8
254.10588	22.1
255.11392	74.9
256.11801	4.2
257.09280	4.3
259.10825	1.6
263.47244	1.4
269.13065	1.2
272.11624	9.3
273.00388	1.6
273.12442	32.1
274.09637	1.8
274.12775	2.3
275.01987	3.3
275.10385	13.1
297.12378	3.2
298.09653	9.1
299.10349	7.4
300.99811	8.1
302.00107	1.3
302.67050	1.0
316.10623	1.1
317.11310	3.9
372.09378	1.4
390.10312	1.1
417.16571	1.5
435.17767	11.3
437.15637	35.9
438.16193	2.8
453.18668	9.1
457.02261	2.0
461.15494	3.6
479.16730	100.0
480.17175	11.1
496.16837	4.9
497.17761	70.9
498.18124	8.9
620.91321	1.1
641.21942	43.5
642.22278	7.7
659.13208	1.4
659.23242	15.2
660.23071	2.7
689.91290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.1
61.98821	20.5
66.37144	14.8
71.60060	30.1
78.95898	91.9
79.76727	16.7
81.00069	15.0
137.57239	15.9
152.99541	22.3
169.12338	33.7
171.10214	15.6
209.11859	100.0
210.12215	35.6
211.13356	51.3
221.03473	14.7
311.09256	43.1
454.65363	22.0
455.09662	19.9
599.82507	18.7
659.32629	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91281	1.7
59.01381	17.9
69.46172	16.2
71.01392	13.9
80.05054	5.2
83.01418	2.8
85.02937	5.3
87.00887	2.8
88.99039	1.7
89.02451	6.6
94.06614	5.3
99.00889	2.0
101.02467	6.0
104.05086	2.0
106.06636	3.4
109.05399	2.1
113.02438	5.9
120.04522	7.8
121.05381	9.4
122.06114	20.8
124.04095	1.7
124.07687	23.2
125.02439	6.1
144.42088	1.9
148.04059	48.1
149.04420	1.9
150.03191	1.8
150.05620	15.8
152.07236	2.1
153.33560	1.7
166.05113	4.5
166.08746	2.0
168.06648	7.0
169.01431	3.2
193.05008	2.4
194.04684	3.8
212.09555	3.2
215.11830	4.9
225.06673	13.3
226.07301	2.1
227.11906	5.6
229.09816	7.4
229.13493	2.2
230.10660	2.6
231.11444	12.9
237.10237	2.4
239.08174	4.7
240.09062	12.7
241.09680	3.2
243.11305	5.0
244.11946	2.4
249.04108	2.0
254.10654	15.5
255.11397	85.1
256.11807	4.2
272.11627	5.1
273.12476	32.8
274.12634	3.0
275.01889	2.4
275.10428	2.8
291.13510	2.7
297.12296	2.6
298.09595	7.9
299.10294	4.0
300.99988	6.2
316.10709	2.7
317.11288	5.7
331.13080	2.5
335.12506	4.7
417.16415	2.8
435.17578	12.7
437.15555	9.7
453.18790	7.8
461.15344	3.3
479.16718	97.5
480.17114	12.7
497.17810	100.0
498.18069	10.8
641.21967	26.2
642.22717	5.2
659.22894	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	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
59.01374	2.0
65.00343	0.6
67.01881	1.2
68.99827	0.5
69.03445	0.7
71.01390	2.5
72.99297	0.8
75.95763	0.4
79.01900	0.7
83.01408	1.3
83.05013	0.6
85.02955	1.0
86.00104	0.6
87.00887	0.8
95.01378	2.5
97.02925	0.8
101.02452	1.6
101.79213	0.5
107.01392	5.7
111.00890	2.7
121.37440	0.5
123.00900	17.2
124.01671	0.6
125.02463	15.9
126.02783	0.7
127.00406	1.0
130.79065	0.5
136.98822	0.9
137.02451	0.6
137.06178	0.5
139.00395	5.5
140.01163	3.0
141.01913	2.1
151.00388	10.5
152.04744	2.1
153.01941	0.7
163.03996	0.6
165.05588	1.4
168.00615	3.6
169.01439	22.8
170.01794	0.9
179.86467	0.5
199.37837	0.5
209.11844	8.6
210.12119	1.5
211.02461	1.4
211.13463	7.9
216.41830	0.5
227.12845	1.4
253.09250	0.9
313.05713	0.8
495.33423	1.4
627.33856	3.7
628.34442	0.6
657.34955	100.0
658.35272	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	658.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94906	2.8
57.53628	2.4
66.92464	2.6
102.91367	2.3
116.92894	2.7
151.00356	2.8
166.01218	2.4
178.99905	4.9
206.78607	2.8
214.02666	8.0
230.02498	4.0
242.02246	4.3
259.02481	6.0
270.01691	6.5
271.02448	32.3
287.01968	19.8
288.02435	3.7
316.02243	100.0
317.02707	8.0
595.13031	97.5
596.13586	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	657.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01372	2.1
61.98840	1.0
65.00293	0.5
67.01899	1.0
68.99841	0.6
69.03458	0.6
71.01382	1.9
72.99323	0.6
79.01887	1.3
83.01395	1.1
85.02946	1.3
87.00887	0.6
89.02477	0.6
95.01391	1.5
98.20652	1.0
99.00924	0.6
101.02425	1.9
102.24487	0.4
107.01389	4.4
111.00887	2.1
113.02456	1.1
115.72375	0.5
123.00895	14.1
123.20508	0.4
124.01660	1.1
125.02459	16.7
127.00378	0.9
136.05325	0.5
136.98795	1.8
139.00349	4.6
140.01158	3.5
141.01939	1.8
149.34224	0.4
151.00378	10.0
152.00456	0.4
153.01918	0.6
163.03987	0.6
165.05484	0.5
168.00668	3.2
169.01434	21.4
170.01746	0.8
181.01474	0.5
209.11821	1.5
211.02585	3.2
211.11282	0.5
211.13374	1.3
224.99869	0.5
271.04474	2.4
301.07410	0.5
313.05707	1.5
495.36850	0.8
627.34106	3.1
657.34906	100.0
658.35242	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64547	0.3
59.01384	3.1
66.60178	0.3
69.58588	2.2
71.01377	1.9
73.02950	0.5
75.51836	0.3
80.02685	1.2
81.03461	0.8
82.13385	0.3
83.01387	0.4
83.05041	4.2
84.02173	0.8
85.02924	0.6
87.00890	0.4
89.02476	1.9
95.05014	0.5
101.02448	2.6
113.02464	1.3
119.03519	0.6
122.39088	0.3
125.06100	0.5
135.08194	0.7
145.05157	0.3
161.04544	0.6
163.11296	3.4
165.12854	2.4
167.14406	0.3
171.10320	0.9
179.05580	0.4
181.12408	0.4
183.13927	5.2
191.10751	0.9
193.12350	1.3
209.11845	100.0
210.12187	5.4
211.13408	77.8
212.13741	4.9
227.12892	13.1
228.13226	1.0
229.73785	0.3
235.08231	2.3
249.15025	0.7
253.09309	8.9
254.09703	0.5
369.57321	0.4
385.73886	0.3
403.25061	0.6
445.20807	1.3
447.22440	2.1
448.22418	0.4
621.32904	0.6
639.33795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82394	0.5
57.03428	0.5
59.01369	2.3
59.40456	0.6
61.98807	1.1
63.85540	0.5
66.31387	0.5
67.01901	1.0
69.33302	5.0
69.33652	0.9
70.18187	0.5
71.01418	2.5
79.01889	1.7
83.01395	1.1
85.02958	1.6
87.00863	0.8
95.01390	2.3
96.99306	0.6
97.02928	0.7
98.19850	1.2
101.02446	1.4
107.01402	4.4
109.02946	0.7
111.00915	3.4
113.02444	0.8
123.00894	15.1
124.01646	0.7
125.02459	17.0
126.02799	0.5
127.00378	1.4
136.05325	1.0
136.98834	1.3
139.00391	4.2
140.01166	4.2
141.01976	1.6
146.67889	0.5
150.06880	0.9
151.00383	9.2
152.04790	2.3
153.01955	0.9
163.07663	0.8
165.05568	1.0
168.00656	3.8
169.01442	21.9
179.10863	0.5
181.05016	0.8
185.41571	0.6
209.11832	2.4
211.02531	1.3
211.13379	2.2
271.04730	0.6
313.05569	1.6
495.33292	2.0
627.33710	2.6
657.34882	100.0
658.35223	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	656.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97386	1.2
55.94115	1.4
56.63643	1.1
61.98833	11.0
69.55737	8.9
96.96008	3.2
98.19875	2.1
116.92877	4.7
125.02462	2.3
151.00320	3.7
169.01442	3.9
178.99864	2.6
199.83969	1.4
227.03458	1.5
233.77992	1.2
243.02988	7.1
251.88846	1.4
254.02179	2.6
255.03020	20.6
256.03387	1.7
271.02463	49.6
271.05389	2.5
272.02960	3.7
299.02036	2.3
300.02756	100.0
301.03171	10.6
593.15088	90.2
594.15509	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	657.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31617	0.6
52.46819	0.5
55.01878	0.6
59.01379	3.4
61.98525	0.6
61.98831	7.7
67.01878	1.6
69.03464	0.9
71.01379	3.9
71.60822	0.6
71.61249	0.6
72.99317	0.9
78.87794	0.5
78.95899	0.9
79.01899	1.0
81.03444	0.7
81.75954	0.5
83.01396	1.5
83.05038	0.5
85.02953	3.0
88.19267	0.6
89.02445	1.1
95.01386	3.2
96.96012	2.7
99.00806	0.5
100.10680	0.6
101.02420	2.7
107.01392	5.4
109.02956	0.9
111.00880	2.7
112.54532	0.5
113.02473	1.4
121.02903	0.6
123.00888	17.2
123.04498	0.7
124.01687	1.0
125.02454	21.0
127.00323	0.9
135.04543	1.2
136.05289	4.9
136.98784	1.6
137.02435	1.1
137.06053	0.6
139.00369	6.1
139.04005	1.2
140.01152	3.7
141.01927	2.0
149.06053	1.4
150.06813	1.8
151.00385	10.5
151.03998	1.2
152.04799	3.3
152.99535	0.6
153.01913	2.2
161.02393	0.6
161.04488	0.6
163.04022	1.0
163.07657	1.2
165.05542	2.1
165.09221	3.3
165.12970	0.6
168.00653	3.2
169.01437	23.8
170.01746	0.8
172.10674	0.6
179.03455	0.6
179.07140	0.7
209.11792	9.7
210.12045	2.7
211.02414	1.7
211.13499	5.9
219.25954	0.6
227.12921	1.7
253.09189	0.6
271.04840	0.8
313.05640	0.8
329.23175	1.0
373.26135	0.8
407.28458	0.7
437.28909	1.4
477.32227	0.9
494.36688	0.8
495.32828	6.8
496.33917	0.8
565.84381	0.6
627.33704	3.1
639.33411	0.6
657.34900	100.0
658.35284	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95477	0.4
55.01885	0.7
57.03451	0.5
59.01387	2.5
59.06121	0.4
61.98834	2.2
67.01879	1.8
69.03440	1.1
71.01385	2.9
72.99297	0.6
73.02927	0.8
78.95898	2.0
79.01884	1.9
83.01398	1.3
85.02956	1.9
87.00887	0.8
93.05997	0.5
95.01384	1.8
97.02962	0.8
99.00867	0.7
101.02462	2.2
107.01399	6.4
110.00120	0.5
111.00901	3.2
113.02417	0.8
113.78168	0.4
123.00893	17.6
124.01676	1.1
125.02458	21.6
127.00361	1.0
135.82028	0.4
136.05293	1.0
136.98796	1.5
137.74118	0.4
139.00388	5.9
140.01161	4.0
141.01935	2.0
145.02837	0.4
151.00365	11.9
152.99582	0.7
153.01857	1.0
165.09227	0.5
168.00648	4.9
169.01434	23.0
170.01767	0.8
181.05061	0.6
187.74664	0.5
209.11856	4.1
211.02509	4.1
211.13428	0.6
227.12875	0.8
271.04620	2.8
313.05591	1.2
422.06259	0.4
474.77017	0.5
493.31586	0.7
566.51178	0.5
591.27100	0.5
625.32538	2.8
626.32458	0.9
637.32343	0.8
655.33337	100.0
656.33716	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	655.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
56.75612	0.3
59.01386	3.0
69.74739	0.2
71.01391	2.3
71.09430	0.6
73.02963	0.4
80.02677	0.4
81.03468	0.8
83.01403	0.5
83.05042	2.9
84.02180	0.4
85.02962	0.7
87.00891	0.4
89.02465	2.2
95.05032	0.4
97.02966	0.4
100.21480	0.3
101.02464	2.1
109.06615	1.5
113.02453	1.2
115.03980	0.3
119.03547	0.5
125.09734	0.5
135.08157	0.4
160.86925	0.2
161.04552	0.7
163.11319	3.1
165.12852	1.2
171.10233	0.4
179.05736	0.3
181.12445	0.4
183.13879	1.0
183.32455	0.3
183.43869	0.3
185.11861	0.6
191.10805	0.5
207.10271	4.2
208.10616	0.4
209.11847	100.0
210.12178	6.3
211.13411	8.9
212.13812	0.4
225.11316	4.4
227.12906	7.1
228.13269	0.8
233.12071	0.4
235.08177	1.9
251.13033	0.4
253.06934	0.5
253.09337	4.7
275.12714	0.4
373.23685	0.5
383.22348	1.0
391.24841	0.3
398.24643	0.3
401.23190	2.4
402.23465	0.3
411.00827	0.3
419.24655	1.3
443.19305	0.5
445.20840	0.8
461.20477	1.1
498.08170	0.3
510.46002	0.3
609.33154	0.7
637.32288	5.5
638.32434	0.7
655.33215	2.8
656.33954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	5.6
61.98839	1.8
71.60960	1.8
84.33995	0.9
84.79887	1.0
88.98808	22.7
96.96004	2.7
111.00782	0.9
115.42890	1.1
116.92859	3.7
120.99707	1.0
151.00385	3.8
169.01450	1.9
175.28607	1.0
178.99870	4.3
199.59157	1.0
227.03433	1.4
243.02980	7.9
254.02226	2.0
255.03020	16.8
256.03506	1.3
271.02484	36.1
271.05396	2.0
272.02881	3.0
300.02756	87.5
300.99939	1.4
301.03204	8.1
387.51956	1.1
565.11981	100.0
566.12286	13.4
571.94385	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	655.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57520	0.8
59.01366	2.6
61.98831	2.0
65.00330	1.3
65.58204	0.8
67.25886	0.8
71.01375	2.0
72.99266	0.9
83.01369	0.8
84.45230	0.7
89.02450	1.1
96.96013	3.4
98.19839	2.1
101.02419	1.9
102.32299	0.8
107.01385	2.6
109.02943	1.7
115.00457	1.2
116.92851	2.3
123.00842	1.9
124.01649	3.1
125.02419	4.3
133.01407	3.5
137.02461	2.1
148.80202	1.0
151.00371	7.3
152.01164	0.9
160.63126	0.8
161.02528	1.6
162.03206	0.9
163.00346	2.0
164.01123	3.0
165.01927	1.6
165.05536	1.8
169.01411	5.0
175.03961	0.9
178.99904	7.5
195.06602	2.2
199.03946	1.4
203.03532	1.7
214.02736	6.6
215.03477	1.6
227.03334	1.0
229.55641	0.8
242.02124	6.9
243.02998	5.2
259.02411	7.3
270.01678	8.0
271.02487	43.6
272.02856	2.8
287.01993	28.3
287.05206	1.8
288.02408	2.9
299.02032	1.0
300.99704	1.6
315.01526	0.9
316.02240	100.0
317.02808	16.5
318.03412	1.2
373.13263	1.0
375.27335	1.0
479.08313	21.8
480.08582	2.2
493.09940	1.2
523.22009	2.0
655.12952	52.6
656.13342	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35106	0.4
57.03458	1.0
59.01382	4.5
61.98833	0.7
68.26047	0.4
69.03465	2.1
69.81667	1.9
71.01379	4.2
71.05012	0.5
71.90851	0.4
73.02966	0.5
77.96148	0.4
79.28941	0.4
81.03456	0.4
83.05011	0.9
83.32601	0.3
85.02974	1.1
87.00873	0.5
88.26714	0.4
89.02466	2.7
95.05061	0.4
97.02911	0.5
101.02425	2.6
109.06587	1.0
113.02456	1.8
119.03551	0.6
125.02458	0.9
125.09753	0.9
139.24782	0.3
143.03493	0.5
145.05153	0.5
161.04533	1.4
163.11325	0.4
167.10851	2.2
167.14380	0.5
177.12862	0.5
179.05705	0.9
179.14449	2.5
183.13916	5.5
184.14250	0.5
193.12291	1.7
195.13908	8.1
205.12334	8.4
207.10281	1.9
209.11833	2.8
211.13397	100.0
212.13745	5.4
223.13397	74.8
224.13716	4.4
225.11337	0.7
225.14876	0.4
235.08226	3.5
253.09311	8.5
265.14557	0.5
355.26270	0.5
399.25711	0.9
417.26468	1.1
429.21051	0.6
441.21198	1.0
447.22379	5.2
452.31870	0.4
459.22406	6.8
460.22583	1.0
469.08038	0.4
609.31848	0.5
635.33228	1.8
653.31708	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03447	0.9
58.00599	2.2
59.01385	38.6
60.01710	0.4
61.98839	0.4
68.99836	0.6
69.03458	2.5
69.47796	2.6
69.82515	0.4
71.01389	33.5
72.01753	0.5
72.99322	2.5
73.02955	5.5
75.00874	0.8
81.03475	1.7
83.01389	3.8
85.02960	6.7
86.00043	0.4
87.00880	8.2
87.04523	0.4
89.02451	31.6
90.02783	0.6
91.04012	0.6
93.03443	0.7
93.90482	0.3
95.01399	2.9
95.05023	0.4
96.96009	0.5
97.02950	5.7
98.20568	0.6
99.00895	2.2
99.04536	0.6
101.02451	29.5
103.00346	0.4
103.04013	0.4
109.02974	0.6
109.48407	0.3
111.00868	0.6
111.04522	0.9
113.02459	13.6
114.02835	0.4
115.04005	0.5
119.03514	9.4
121.02991	0.8
123.00895	0.6
123.04509	0.4
124.01713	0.4
125.02455	12.0
127.04037	0.3
129.01965	0.4
131.03528	1.7
133.05054	1.3
137.02415	0.4
139.04013	1.2
141.01944	0.6
143.03493	5.4
149.04568	1.4
161.04553	7.4
167.03477	1.0
179.05640	7.0
185.04541	0.9
199.06114	0.5
203.05630	0.3
209.11868	0.4
212.57353	0.4
217.07208	1.0
219.05038	0.4
221.06630	2.5
235.08235	13.5
236.08615	0.5
245.06566	0.7
253.09332	3.8
255.23306	100.0
256.23669	6.7
263.07654	1.6
265.14835	0.5
269.24777	0.8
276.86829	0.4
277.09360	1.5
287.07764	3.5
305.08755	3.6
315.42902	0.3
323.09933	1.6
361.11545	0.7
379.12476	1.2
397.13516	87.5
398.13885	6.6
415.14597	32.6
415.20374	0.8
416.14886	2.2
560.05780	0.4
653.37952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21198	0.2
57.03453	0.4
58.00597	0.2
59.01382	3.7
61.98845	0.5
69.03455	1.8
69.46319	1.5
71.01382	3.0
71.05035	0.5
72.99322	0.2
73.02960	0.6
78.95918	0.2
81.03443	0.4
82.80701	0.2
83.01402	0.6
83.05031	0.6
85.02959	0.6
85.06561	0.2
87.00897	0.5
89.02442	2.0
95.01377	0.4
95.04993	0.3
95.77552	0.2
97.02962	0.2
101.02448	3.3
109.06608	0.7
111.08195	0.2
113.02434	1.6
119.03516	0.9
123.08261	0.3
125.02428	0.5
125.09737	0.3
133.05063	0.2
137.09737	0.2
141.09229	0.3
143.03520	0.4
145.05045	0.6
149.09753	0.5
155.10820	0.2
161.04590	1.4
161.13394	0.4
163.11261	0.4
165.12814	0.2
167.10809	2.3
167.14410	0.6
177.12857	0.6
179.05589	0.4
179.10791	0.5
179.14423	2.5
181.12408	0.2
183.12654	0.1
183.13904	6.6
193.12296	1.5
195.13907	7.1
196.14259	0.4
205.12332	7.1
206.12558	0.3
207.10286	0.7
209.11830	1.7
211.13402	100.0
212.13750	5.3
219.94786	0.2
223.13397	70.4
224.13728	3.5
225.11305	0.5
235.08247	3.2
253.09294	8.1
254.09653	0.4
254.94731	0.2
373.23715	0.4
399.25592	1.1
417.26620	1.1
429.21140	0.4
441.21448	1.4
441.26987	0.3
447.22302	5.2
448.22839	0.5
459.22397	6.8
460.22626	0.7
609.32727	0.5
635.34363	1.2
653.31537	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	651.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.7
59.01382	14.0
61.98832	1.8
62.63148	0.5
69.55208	4.2
71.01387	16.6
72.99300	1.1
74.59390	0.6
75.65162	0.5
78.95917	0.6
83.01383	1.0
85.02948	1.2
87.00888	1.4
89.02451	22.0
101.02448	7.8
104.92845	1.0
113.02464	4.4
118.60305	0.6
119.03503	4.5
125.02412	1.7
131.03516	1.6
143.03505	2.0
145.02991	1.5
149.04535	2.0
161.04575	3.0
163.04002	0.7
179.05614	12.2
235.25375	0.6
245.00873	0.6
276.44946	0.7
300.99857	0.8
385.16269	0.6
393.31631	0.7
452.02896	0.6
471.34814	100.0
472.35098	15.5
645.77240	0.6
651.39417	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	653.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65495	0.3
62.96384	0.7
69.54375	0.9
69.54780	0.8
78.95908	100.0
92.06919	0.3
94.59825	0.2
96.96011	0.6
98.20701	0.3
149.00111	5.1
152.99606	0.8
172.08420	0.3
179.01149	0.5
205.15933	2.1
255.23305	1.1
285.12595	3.6
293.17886	0.7
355.16867	2.7
385.17792	0.8
447.13446	6.5
448.13849	0.5
512.90479	0.3
514.14258	0.3
612.08600	0.3
653.30121	56.4
654.30487	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	653.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03452	2.2
59.01384	15.7
61.98832	21.3
65.03981	1.5
69.03461	1.5
70.35877	1.6
70.36255	1.2
71.01382	12.6
71.78717	0.7
72.99331	1.1
73.02955	3.2
75.15674	0.6
78.61610	0.7
80.02699	1.7
81.03455	3.9
83.01383	1.5
83.05029	7.6
85.02972	4.6
87.00888	4.0
88.98789	0.7
89.02454	4.9
93.03465	3.0
95.01382	1.4
95.05038	4.0
96.95983	1.1
97.02951	6.1
97.06597	4.1
99.00915	1.8
99.72724	0.8
101.02451	10.1
101.86798	0.7
107.05053	2.1
108.09937	0.7
109.06596	17.3
110.03734	1.3
113.02459	5.4
119.03511	1.6
119.05024	1.1
120.05807	0.8
121.02982	0.6
121.06583	3.3
123.00888	1.5
123.04517	1.2
123.08194	3.5
125.02447	2.9
125.06112	1.1
125.07027	0.6
125.09737	10.5
133.06586	1.0
134.03752	1.4
135.04552	3.0
135.08180	3.7
136.05328	1.7
137.02475	0.8
137.09749	1.6
142.02748	1.0
145.02995	2.0
145.05078	1.7
149.06084	1.1
149.09732	1.7
151.00331	0.8
151.11302	0.8
153.05579	1.3
159.04620	0.7
159.08148	1.1
161.04570	2.5
161.09731	2.8
163.09999	1.4
163.11299	15.9
165.05589	1.7
165.12875	2.1
169.01460	2.2
171.10280	17.3
172.10605	0.8
175.11308	2.6
177.12865	1.9
179.03520	1.2
179.05620	0.6
179.10767	1.6
181.12352	3.3
185.11838	9.1
187.09709	3.1
189.09241	2.1
191.10915	0.9
191.14420	1.2
197.11810	1.9
201.12903	1.2
203.10779	1.1
203.14400	1.7
205.12306	2.3
207.10266	54.7
208.10590	2.9
209.11835	97.3
210.12138	6.0
211.13472	1.2
213.09219	2.3
217.12274	8.8
218.12643	1.1
219.13963	1.7
221.11815	5.4
223.13400	0.8
225.11334	30.1
226.11694	1.5
227.12819	1.7
229.12315	2.5
231.10281	5.0
235.08244	5.6
235.13405	5.1
237.14944	1.4
245.11803	5.8
246.12073	0.8
247.13412	8.1
249.11302	4.9
253.09329	9.9
263.12875	8.8
265.14429	5.5
281.13803	1.3
285.03949	0.7
324.74060	0.7
337.21759	1.1
353.21143	0.9
355.22806	1.4
371.22238	2.2
373.19717	1.4
373.23788	2.9
381.20471	2.6
389.23425	1.1
399.21753	14.3
400.22073	1.4
405.17657	1.3
407.24155	0.9
417.22852	18.4
418.22980	3.5
435.23813	3.5
443.19342	4.1
447.68207	0.8
461.20209	7.4
481.20541	2.0
485.20255	1.8
499.21805	2.8
609.29132	1.5
617.27576	0.8
625.31781	0.9
635.30743	41.1
636.31036	6.6
653.31726	100.0
654.31976	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	649.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
65.85397	0.2
69.80972	1.3
71.05060	0.2
72.13264	0.2
88.74719	0.2
89.03983	0.3
98.19963	0.4
117.03477	25.3
118.03801	0.9
119.05041	4.7
121.02972	0.9
145.02963	100.0
146.03294	4.4
163.04018	4.2
210.40547	0.2
232.26846	0.2
239.38048	0.2
351.48239	0.2
409.79056	0.2
419.86774	0.2
471.31174	0.5
485.32535	0.4
487.34268	0.3
501.32065	0.5
587.37122	0.4
605.38147	0.4
631.36469	0.5
649.37476	74.3
650.37805	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	651.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44724	1.1
59.01363	1.5
60.99307	3.0
67.01898	5.5
69.03452	1.6
69.42860	6.8
71.01383	3.2
79.95743	2.5
80.86594	1.0
81.03416	1.2
85.02950	2.9
87.00875	8.9
93.03466	40.5
95.01407	1.0
96.96019	100.0
107.01395	4.1
109.02967	2.0
111.00874	1.1
111.04556	6.3
113.02463	1.1
117.03487	1.2
119.05035	26.3
123.00880	7.0
125.02454	28.6
129.01967	1.8
137.02469	1.9
139.00476	2.6
140.01234	1.4
145.02937	3.1
151.00371	4.3
151.04012	2.1
155.03482	1.9
161.02478	2.0
163.04015	20.0
168.00676	1.7
168.20554	1.2
169.01434	31.0
170.01706	1.4
173.04587	13.6
177.73398	1.2
191.05626	72.6
192.05983	2.2
211.02466	2.2
217.62747	1.0
231.02907	1.2
245.08307	1.5
249.04117	1.1
275.01926	1.6
289.07156	3.9
300.99857	5.8
313.05707	16.7
337.09213	3.6
379.10205	1.3
392.03644	1.4
408.73688	1.1
433.11441	2.1
459.09274	3.5
477.10556	9.1
478.10043	1.7
494.67792	1.4
499.14624	47.2
500.15277	5.1
553.19397	9.2
607.10083	1.4
651.15668	76.8
652.15851	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	651.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15029	0.5
59.01378	1.8
83.54341	0.5
90.62039	0.6
90.76227	0.5
93.03484	0.8
108.02220	0.9
110.00616	0.5
117.03475	25.7
118.03771	0.9
119.05037	20.2
119.05901	1.0
120.05411	0.8
121.02969	64.1
122.03310	2.1
135.04517	1.9
144.27885	0.5
145.02965	100.0
146.03278	3.1
163.04016	8.5
181.05080	15.8
182.05418	0.5
209.11856	0.8
293.03494	0.5
331.17419	0.6
423.29453	0.6
437.30664	0.6
455.31799	1.0
467.32004	0.9
469.33139	3.5
470.34216	0.7
471.34961	0.7
487.34265	5.4
513.32245	2.4
529.35406	0.8
633.38013	84.1
634.38318	16.2
651.30188	1.1
651.39215	3.0
652.39423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4119
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
50.93937	0.7
58.00582	0.7
59.01095	0.9
59.01378	13.1
61.98823	2.8
62.12834	0.7
67.46763	0.6
70.26990	1.2
70.27388	1.7
71.01386	15.0
75.23597	0.7
83.01398	1.0
85.02927	1.0
87.00864	1.0
89.01908	1.5
89.02449	20.7
95.01368	0.8
96.96032	1.0
100.07594	0.8
101.02454	6.9
104.92786	0.9
113.02457	4.3
119.03498	2.8
123.04518	1.1
125.02398	1.0
131.03468	1.1
133.02962	0.9
135.04558	0.9
137.02396	1.5
143.03552	0.9
149.04535	1.0
151.04031	0.9
161.04546	2.7
179.05637	10.4
208.01569	0.7
223.13478	0.7
288.13721	0.9
471.34814	100.0
472.35129	12.9
497.32758	1.5
560.25732	0.7
589.38995	0.8
633.38190	3.2
651.39697	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	651.4117
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
59.01385	12.3
61.98829	1.5
69.54050	3.0
69.54459	1.0
71.01386	15.3
73.26149	0.6
78.95918	0.6
85.02957	1.1
87.00903	0.7
89.01913	1.1
89.02455	21.1
96.03751	0.5
98.20608	1.2
101.02451	7.9
104.92790	0.9
113.02473	3.8
119.03510	3.3
123.13058	0.7
125.02460	1.7
131.03511	1.7
143.03484	1.7
149.04509	1.4
161.04596	2.4
179.05632	12.0
274.56244	0.7
299.86966	0.6
300.99945	1.0
461.07599	0.6
471.34824	100.0
472.35239	11.8
484.46906	0.7
651.40417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.6
71.01384	3.1
71.59270	3.5
73.02979	2.8
79.53041	2.3
85.02948	2.3
95.01398	3.7
96.96033	3.4
103.03975	2.2
123.00887	3.1
125.02456	6.4
137.02422	2.7
139.03984	2.7
161.02419	3.6
163.03993	3.1
166.99864	2.7
169.01505	4.4
170.80721	2.5
175.03926	3.2
177.01866	3.3
183.04391	2.7
185.02357	4.2
190.02678	4.7
191.03494	3.9
201.02037	6.1
203.03502	6.8
215.03568	2.5
217.01411	5.8
229.01416	9.6
230.02124	4.0
231.02927	6.3
243.03105	3.0
245.00883	4.0
247.02528	4.6
249.03912	4.5
253.02014	2.6
253.05060	2.4
257.00879	6.6
258.01617	5.6
259.02524	4.5
265.09207	3.0
267.03183	2.8
270.98798	3.9
271.02347	4.1
273.00443	10.7
274.01089	13.8
275.01974	30.9
281.04529	3.0
283.02243	3.3
285.03952	2.5
287.01926	7.5
288.02814	6.4
297.03986	2.8
298.01053	3.6
298.98248	6.3
299.01816	4.5
299.99210	24.0
300.02573	4.5
300.99896	69.7
301.03299	3.5
302.00406	4.6
314.00650	5.5
315.01584	3.5
316.99338	12.7
317.02808	5.5
325.03412	5.1
327.01422	9.4
327.04993	3.5
328.02106	5.7
339.01349	3.5
340.02081	6.5
341.02829	3.2
342.00159	3.9
345.08356	3.0
351.01425	3.3
353.02734	4.8
355.04871	3.6
356.01736	6.1
369.02383	3.5
379.04697	3.7
399.03616	6.2
413.04861	2.6
425.01492	10.8
479.04611	7.5
480.05484	27.3
481.06152	26.6
543.08130	4.7
587.06775	4.1
605.07843	24.2
613.05103	3.3
631.05487	6.4
642.24268	2.9
649.06903	100.0
650.07123	12.6
666.26996	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	649.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
65.00371	2.6
65.48862	2.7
67.08159	2.5
70.13265	11.8
79.16251	2.3
79.63805	2.8
80.11775	2.6
123.00909	9.2
123.04556	2.9
125.02444	17.0
137.02438	4.2
149.06097	5.8
151.00389	8.2
163.03970	3.3
169.01384	15.4
197.04518	7.1
217.01466	3.2
229.01657	8.1
231.73976	2.8
245.00954	3.5
245.08214	3.0
247.02466	4.9
249.03767	3.0
275.01929	6.3
289.03894	28.2
289.07217	14.5
300.99875	17.9
359.09866	100.0
360.10242	7.9
392.43970	2.9
479.09558	3.3
481.06104	3.6
654.75964	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	649.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.7
59.34978	0.6
61.98838	1.4
72.70609	0.7
77.42761	0.7
95.54308	0.7
98.20673	1.2
117.03483	29.5
118.03836	1.0
119.05035	6.9
121.02963	1.9
125.02452	0.9
141.31004	0.8
145.02969	100.0
146.03311	4.5
159.21553	0.8
163.04033	4.7
209.11809	1.4
218.44040	0.8
243.27391	0.9
399.93552	0.9
468.81268	0.8
487.34180	1.3
565.25702	0.8
605.38531	1.3
631.36835	1.4
649.37543	90.1
650.37933	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42852	0.2
55.01857	0.3
57.03424	0.6
58.00591	1.2
59.01099	0.3
59.01381	3.9
61.98838	2.9
71.01051	0.3
71.01389	3.3
72.99324	0.5
73.02972	1.1
75.81717	0.2
80.02668	0.9
81.03461	1.0
82.36638	0.2
83.01369	0.7
83.04568	0.2
83.05035	4.4
84.02152	0.7
85.02962	1.2
87.00876	0.9
89.01997	0.2
89.02461	3.2
89.57497	0.2
93.03477	0.2
95.01393	0.3
95.05016	0.6
96.95480	0.2
96.96039	1.3
97.02930	0.5
97.06584	0.4
99.00895	0.2
101.02464	4.1
107.01396	0.2
113.02473	2.0
119.03497	1.0
123.00835	0.3
123.08189	0.4
125.02442	0.9
125.06070	0.8
125.09743	3.3
127.11301	5.5
133.05086	0.3
135.08160	0.7
137.02448	0.4
137.06139	0.2
137.09709	1.0
139.11282	0.7
143.03523	0.3
145.05121	0.5
151.04001	0.2
151.07623	0.5
153.09178	0.3
155.10777	2.2
157.12314	0.4
161.04564	1.7
163.11327	3.1
165.01973	1.2
165.09247	2.3
165.12863	1.8
169.01451	0.5
171.10298	2.5
179.03537	0.5
179.05637	0.7
180.04272	0.7
181.05098	0.4
181.12297	0.3
183.10294	1.0
187.09787	0.3
191.10817	0.8
195.06659	0.8
196.07399	0.4
199.09738	1.9
201.11342	100.0
202.11691	4.6
209.11848	93.0
210.12190	4.6
211.09900	0.5
221.11789	0.6
223.13399	0.4
225.07674	0.6
227.12909	10.8
228.13194	0.8
235.08238	4.6
236.08517	0.3
239.12927	0.5
253.09308	17.2
254.09669	0.9
255.72334	0.3
275.02121	0.3
331.22684	0.3
365.23413	0.5
375.21759	2.2
393.22958	1.9
405.17664	0.5
411.23804	1.0
419.19293	0.2
421.94037	0.2
437.20288	1.8
445.20700	1.5
452.52795	0.2
599.25659	0.6
611.31140	0.5
629.30585	0.3
629.39557	0.6
647.32776	0.4
654.58545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14210	0.4
56.79230	0.4
57.55124	0.5
59.01379	0.5
61.07385	0.4
61.98830	1.7
62.66120	0.5
83.05035	2.0
89.80766	0.4
117.02770	0.7
117.03475	26.4
119.05046	8.1
145.02968	100.0
146.03346	3.6
163.04019	7.8
169.93042	0.6
200.86757	0.5
209.11865	1.1
438.98346	0.5
585.35718	0.7
603.36499	2.2
622.38690	0.6
629.43915	0.5
647.35901	71.8
648.36279	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	648.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25602	0.2
59.01381	0.8
61.98835	100.0
71.01387	0.6
87.00887	0.4
88.96179	0.2
89.02465	0.4
96.96035	2.0
97.02963	0.3
101.02483	0.6
107.01386	0.3
108.69418	0.3
123.00914	0.6
125.02459	1.5
138.42513	0.2
139.04041	0.6
141.93491	0.3
149.02415	0.2
151.00404	0.4
169.01480	1.6
176.11250	0.2
237.04068	0.8
293.73990	0.3
300.99863	0.3
515.11676	0.3
585.26025	0.7
629.39337	0.4
648.35614	0.8
649.19305	0.8
649.37714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45008	0.1
57.03472	0.1
59.01384	0.5
61.98834	100.0
71.01400	0.6
71.05046	0.2
71.61945	0.1
72.99316	0.1
73.02963	0.3
75.00844	0.1
83.01402	0.2
85.02968	0.3
87.00888	0.2
87.48840	0.1
88.98828	0.3
89.02458	0.4
95.01440	0.1
96.96014	1.4
97.02972	0.2
99.92587	0.1
101.02467	0.4
107.01430	0.2
109.03019	0.2
111.00887	0.2
112.22775	0.1
113.02499	0.3
116.92854	1.1
119.05068	0.1
123.00906	0.3
123.04567	0.1
125.02459	1.0
135.04536	0.2
135.08157	0.1
137.02489	0.3
139.04048	0.2
140.01170	0.1
151.00427	0.2
151.04053	0.1
151.07672	0.2
153.05640	0.1
161.02484	0.1
163.04054	0.1
166.60815	0.1
168.00710	0.2
169.01442	1.0
173.58427	0.1
176.03571	0.3
179.03615	0.1
193.80913	0.1
201.11365	0.7
202.11678	0.2
209.11833	0.6
210.12161	0.1
227.12982	0.2
229.14767	0.1
253.09354	0.2
284.38324	0.1
289.07394	0.1
315.77579	0.1
406.84555	0.1
580.81250	0.1
585.24951	0.9
586.26343	0.2
629.38708	0.2
630.39203	0.3
647.39056	0.5
648.24396	0.3
648.33112	0.3
648.40088	0.4
649.25964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60038	14.6
75.81409	2.1
84.16605	2.0
88.04021	1.9
90.33820	2.0
98.19933	4.7
117.03510	3.7
118.15903	2.1
119.04993	2.3
123.00900	4.3
125.02436	7.2
133.02921	4.1
135.04556	3.1
137.67657	2.2
140.08200	2.0
145.02962	9.2
147.04562	6.4
161.02426	17.2
162.03172	4.2
163.00374	4.3
163.04008	17.3
166.25580	2.0
169.01431	6.9
173.02420	6.7
175.04059	4.7
188.01147	2.9
189.01929	20.9
190.02727	4.4
191.03523	34.3
201.01877	6.6
216.00597	4.7
217.01425	20.2
218.02309	2.8
219.03021	7.1
235.02515	5.1
245.00966	14.0
259.99506	2.5
261.00421	33.4
262.00858	2.8
288.99817	4.4
313.35211	2.1
363.03436	5.3
405.04514	9.3
423.05460	3.7
433.04114	9.3
575.06799	100.0
576.07343	12.9
603.06372	33.5
604.06525	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	647.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45771	0.5
53.32026	0.6
56.10628	0.6
59.01384	0.7
63.88239	0.5
67.09483	0.6
71.01382	2.5
81.03442	0.5
83.01405	0.6
85.02936	1.3
87.00862	0.7
88.98796	1.4
89.03948	1.1
91.05552	0.7
93.03464	1.0
95.01373	1.1
99.65940	0.6
101.91209	0.6
105.03476	3.5
107.01396	2.5
107.05020	0.9
109.02947	1.5
111.00848	0.8
113.02439	1.0
117.03465	2.4
119.05048	3.5
121.02952	1.3
123.00881	5.8
123.04537	1.5
125.02457	10.4
131.05032	0.6
132.02132	0.7
133.02960	4.6
135.04552	4.6
136.01660	0.8
136.99094	0.6
137.02446	2.1
139.00337	1.4
145.02963	5.5
147.04518	5.3
148.01671	0.7
149.02422	2.2
151.00389	2.7
159.04495	0.9
160.01718	0.9
161.02449	15.6
162.03195	1.9
163.00368	3.0
163.04024	16.3
164.01161	0.9
165.01892	2.0
165.05502	2.2
168.00507	0.6
169.01434	10.0
171.04514	0.8
173.02448	5.6
175.03989	1.5
176.01157	1.1
177.01881	1.8
187.00366	0.9
187.04092	0.9
188.01047	1.3
189.01939	18.6
189.05551	0.8
190.02730	4.9
191.03510	43.3
192.03876	1.8
193.01460	1.3
201.01900	1.8
203.03526	1.5
204.00754	0.7
205.01430	2.3
205.05070	1.0
207.03003	2.5
209.00972	1.0
209.04561	1.8
214.99812	1.2
215.03459	1.2
216.00586	1.5
217.01416	10.8
217.04973	1.1
218.01965	0.9
219.03004	3.3
229.01390	0.9
229.05077	0.7
231.02943	2.3
232.00055	1.9
233.00870	2.2
234.01630	1.5
235.02486	15.5
242.99353	0.8
245.00949	2.6
247.02368	1.0
259.02451	1.8
259.99643	2.2
261.00394	33.1
262.00696	1.1
270.98868	0.7
273.00565	0.9
275.01904	2.7
277.03537	2.4
287.99103	1.3
288.99927	1.2
289.07211	0.9
300.99863	3.8
313.05930	0.9
319.04587	2.1
363.03522	2.7
379.06668	2.0
391.02869	0.7
405.04593	10.4
423.05841	8.6
433.04333	3.0
451.05051	1.7
531.08026	0.9
557.14905	1.2
575.06775	100.0
576.07159	12.6
603.06256	7.9
647.20154	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	645.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03435	1.3
58.00628	1.0
59.01379	12.2
61.98838	9.8
67.01886	1.7
68.99840	0.9
69.03455	2.1
69.27584	9.2
71.01392	11.4
72.99321	1.1
73.02941	3.1
79.01881	1.2
83.01379	2.8
83.05029	1.7
85.02955	3.7
87.00861	1.9
88.98816	1.4
89.02443	6.3
95.01395	3.1
96.96021	10.0
96.96985	1.6
97.02950	2.3
99.00854	1.0
99.04516	1.2
101.02447	6.6
107.01392	11.7
109.02979	1.7
109.06572	1.6
111.00900	5.4
111.04541	0.9
113.02433	4.9
119.03537	1.9
121.02941	1.8
121.16988	1.0
122.03676	1.0
122.22424	0.9
123.00898	11.6
123.04553	1.9
123.08098	1.0
124.01673	3.0
124.89980	0.9
125.02457	73.7
125.06044	1.3
125.09734	1.4
126.02773	1.8
127.11290	1.1
135.04460	0.9
135.08102	1.9
136.05336	7.4
136.98848	3.0
137.02458	4.2
137.05605	1.3
139.00389	8.0
139.03981	2.6
140.01160	9.6
141.01956	2.0
149.02498	1.5
149.06050	3.2
150.06865	1.6
151.00372	6.8
151.03995	2.0
151.07642	5.5
152.00806	0.9
153.01907	0.9
155.03473	0.9
161.02460	1.3
161.04532	2.4
163.11290	1.1
165.01904	5.1
165.05592	1.6
165.09154	3.4
166.02397	1.5
166.09518	2.9
166.99893	1.2
167.03484	3.4
168.00661	20.7
169.01433	94.7
170.01746	1.9
171.10254	3.8
175.04076	1.1
179.03488	3.8
179.05630	1.6
181.01414	1.4
181.08675	2.3
183.02968	1.6
193.01408	24.3
194.05861	2.0
195.06622	1.3
199.09773	13.6
201.11263	8.7
201.25700	1.1
207.10213	3.9
209.08286	2.0
209.11827	20.5
210.12123	2.0
211.02486	77.0
212.02815	3.2
223.02478	1.4
225.11258	3.5
227.09294	1.5
227.12859	3.9
241.03578	4.4
242.96960	0.9
253.09241	3.1
271.04578	49.4
272.04642	1.9
274.01175	1.1
275.02002	1.6
295.04584	1.5
299.99142	1.4
301.03531	2.1
313.05673	15.2
314.06339	1.1
331.06540	2.0
391.21231	1.1
435.18576	2.4
465.07050	5.0
465.32217	3.7
481.35297	5.4
482.36014	10.6
483.07819	100.0
483.35333	3.6
484.08176	8.8
609.29132	2.1
627.37756	11.5
644.38660	4.8
645.18237	54.0
645.30127	5.3
645.38177	9.8
646.18262	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	645.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91753	0.6
55.01877	0.8
57.03424	0.5
59.01373	4.5
59.54222	0.5
61.98819	1.9
67.01888	0.6
69.03426	0.5
69.46574	0.6
71.01375	3.5
71.60703	0.8
72.99305	0.8
73.02932	0.9
76.10920	0.5
79.01878	1.3
83.01359	1.3
85.02946	1.8
88.98807	0.6
89.02437	2.1
95.01393	2.9
96.96002	1.7
97.02982	0.6
98.68637	0.5
101.02450	3.1
102.78177	0.6
107.01393	5.6
108.01655	0.5
109.02975	0.6
111.00877	1.9
113.02431	1.6
123.00890	16.6
125.02452	23.5
127.00353	0.8
135.04539	1.1
136.98848	2.0
137.02443	0.6
139.00385	5.8
140.01166	3.5
141.01920	1.7
145.02934	0.8
151.00368	9.6
151.04019	0.7
151.07776	0.6
153.01950	1.2
161.02556	0.5
163.03983	0.6
165.01884	1.2
165.05527	1.1
166.02448	0.6
168.00662	3.6
169.01433	26.6
178.27551	0.7
178.99710	0.6
179.03467	1.1
189.01910	0.5
195.06572	0.9
209.04637	0.5
211.02454	1.9
235.03535	0.5
255.02953	1.3
271.02310	1.8
271.04651	1.8
273.00439	1.3
299.99539	0.7
300.02722	5.1
300.99881	3.0
301.03491	1.9
302.00238	0.5
313.05600	1.3
369.87692	0.5
463.08893	1.5
483.33368	0.7
529.22711	1.3
543.24347	2.1
573.25464	2.2
587.27216	6.5
588.27112	0.8
609.12366	4.1
627.29388	2.4
645.31238	100.0
646.31610	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43740	0.2
54.05287	0.3
55.01870	0.3
57.03467	0.3
59.01384	2.7
69.03452	1.0
71.01389	2.7
72.99287	0.3
73.02962	0.5
80.02677	0.6
81.03452	1.3
83.01398	0.9
83.05025	3.7
84.02172	0.7
85.02975	0.9
87.00887	0.8
89.02454	1.8
93.00033	0.2
93.78190	0.3
95.01379	0.3
95.05036	0.4
98.20597	0.5
101.02453	2.7
109.06507	0.2
113.02489	1.7
119.03523	0.5
125.06043	0.6
126.73434	0.2
135.08142	0.7
143.03632	0.3
145.05089	0.4
149.09682	0.3
152.49286	0.3
153.12885	1.7
161.04562	0.9
163.11299	2.9
165.12875	1.3
169.12344	6.2
171.10239	1.0
179.10764	0.6
191.10768	0.9
197.11833	100.0
198.12158	4.8
201.11273	0.3
209.11833	80.5
210.12170	4.1
219.14389	0.3
227.12894	11.4
228.13264	0.7
229.13441	0.3
235.08228	3.2
235.13396	0.8
253.09268	8.2
254.09677	0.3
317.94080	0.3
327.19034	0.3
353.15527	0.3
389.23291	0.4
404.70468	0.3
433.20819	3.8
445.20859	1.0
498.07993	0.3
607.31311	0.7
625.32556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.5
59.01385	3.8
60.05618	0.2
61.98829	1.1
69.03450	0.6
69.41039	1.5
69.41441	0.6
70.28008	0.2
71.01392	3.6
73.02960	0.6
78.29398	0.2
80.02681	1.0
81.03473	1.3
83.01393	0.8
83.05038	4.2
84.02187	1.0
85.02950	0.8
87.00878	0.7
89.02457	3.0
95.01371	0.5
95.05042	0.8
96.96037	0.8
97.06597	0.3
99.00887	0.3
101.02450	3.3
103.53500	0.3
110.34528	0.3
111.08092	0.3
113.02457	2.2
115.10837	0.3
119.03526	0.8
125.02477	0.5
125.09732	0.3
126.01633	0.3
130.02107	0.3
135.08202	0.5
141.09244	0.3
142.40132	0.3
143.03595	0.4
145.05066	0.6
151.04100	0.3
151.11288	0.3
153.09187	0.3
153.12866	0.9
158.69586	0.3
161.04616	1.4
163.11316	4.0
165.12842	1.8
167.83815	0.3
169.12352	4.7
170.12703	0.3
171.10266	1.1
179.05591	0.8
179.10809	0.5
181.12392	0.6
191.10822	1.2
197.11852	88.0
197.66826	0.3
198.12222	4.3
199.13420	0.5
201.11353	3.4
202.11862	0.3
209.11850	100.0
210.12190	5.7
211.13347	0.3
223.13429	1.9
227.12909	13.4
228.13281	0.7
235.08252	2.7
235.13399	0.8
253.09312	8.6
368.07367	0.3
389.23489	0.8
407.24246	0.4
433.20819	2.8
445.20770	1.6
502.04599	0.3
547.96399	0.3
599.33893	0.3
605.19214	0.4
607.31378	0.5
625.32593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59235	0.5
56.09589	0.5
56.22364	0.6
56.29594	0.5
57.03460	0.8
59.01394	4.9
59.12534	0.5
61.98838	11.8
67.01911	1.3
67.04209	0.6
71.01386	3.8
72.62952	0.6
72.99306	0.8
73.02591	0.5
73.02962	1.6
74.99076	0.7
81.03506	0.8
83.01440	1.0
83.05018	0.9
85.02974	2.2
87.00889	1.1
88.98828	1.1
89.02459	1.5
93.03464	1.1
95.05034	0.7
96.96043	2.5
97.02979	1.4
98.19838	1.2
99.00903	0.6
101.02448	3.6
104.94291	0.5
106.89206	0.6
107.01415	1.5
107.05096	0.8
109.02966	1.8
111.00831	1.0
113.02492	2.1
116.92825	1.0
121.02961	0.7
122.03748	0.7
123.00906	5.4
123.04549	2.2
124.01713	1.1
125.02471	8.9
125.06046	0.7
135.04517	1.4
135.08144	1.5
136.01698	0.8
136.05304	9.1
137.02458	23.6
137.06003	0.7
139.00371	1.8
139.04037	1.5
140.01086	0.7
141.82613	0.6
147.04596	0.7
149.02400	0.6
149.06087	4.2
150.06813	1.3
151.00374	5.7
151.04005	2.0
151.07637	2.4
152.04770	0.6
153.02017	1.0
159.04517	0.6
161.04562	1.2
163.04021	1.1
163.07617	0.9
163.11278	0.7
164.01140	1.6
165.01945	100.0
165.09204	5.7
166.02632	7.0
167.03419	1.3
168.00661	1.4
169.01439	9.4
169.12279	0.9
175.04080	1.0
177.01915	0.9
178.60802	0.6
179.03516	15.3
180.04291	54.6
181.05042	10.2
187.04012	1.2
193.05145	0.7
194.05827	2.2
195.03055	3.4
195.06638	78.1
196.07013	4.0
197.11864	13.8
205.05049	1.0
209.11839	14.0
210.03360	1.1
210.05342	12.6
210.12100	0.9
211.02492	1.2
211.05811	0.6
215.03630	0.8
225.07693	69.5
226.08072	4.3
227.03442	0.6
227.12985	2.8
243.02956	0.8
253.09377	1.2
255.02907	1.4
256.03781	10.1
257.01157	0.6
257.04102	0.7
266.20267	0.6
271.06192	14.2
272.06555	0.8
274.01196	0.7
277.12869	0.7
301.03427	0.6
313.05621	1.2
314.00580	0.8
315.01553	3.0
315.04886	1.0
316.01877	2.9
317.01974	2.1
327.21887	0.8
329.23511	1.0
387.11096	0.9
387.14758	5.6
388.15091	0.8
403.13763	0.9
417.15555	10.5
418.16135	1.3
448.06055	1.5
449.06201	2.2
480.34625	3.3
481.22293	0.8
481.35687	16.3
482.35678	1.2
563.21851	2.9
581.26312	2.7
595.21698	2.8
625.35437	2.3
643.18231	1.3
643.28314	14.6
643.38416	5.5
644.29578	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	643.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01382	7.3
61.98830	6.1
69.03491	0.7
71.01380	6.1
71.03889	0.5
71.08981	1.1
71.09334	0.7
72.99318	0.9
73.02943	1.0
78.95902	0.8
79.95733	5.0
80.02676	1.0
81.03481	1.0
83.01392	0.8
83.05030	4.0
85.02970	1.5
87.00864	1.0
89.02452	2.9
95.01369	1.1
95.05039	1.1
95.95234	1.8
96.96014	100.0
97.06583	0.5
101.02444	4.9
109.02948	1.5
109.06586	0.6
111.04411	0.7
113.02455	4.2
113.06120	0.7
119.03518	1.3
123.00890	0.7
123.04556	0.6
124.11015	0.5
125.02421	1.9
125.06034	0.8
135.04539	0.8
136.05289	3.0
137.02498	0.6
149.06104	0.9
150.06827	1.2
151.04024	0.5
151.07619	1.1
151.11287	0.8
153.01964	3.3
153.12851	1.0
161.04567	1.8
163.11316	3.3
165.09177	3.5
165.12871	2.2
166.09550	0.7
169.01486	0.9
169.12340	6.1
171.10237	1.6
179.05571	0.7
179.10757	1.1
181.12357	0.8
193.05069	1.7
197.11835	87.7
198.12161	3.3
199.13437	2.1
209.11835	80.8
210.12215	3.2
225.07790	0.5
225.11438	0.6
227.12906	20.5
228.13132	1.0
235.08212	2.5
235.13335	0.8
253.09286	7.9
273.07944	2.5
306.04956	0.6
310.82111	0.6
389.23141	1.0
407.24310	0.9
433.20990	3.2
445.20563	1.4
449.14938	0.8
463.22021	1.3
480.34329	1.4
481.35324	7.9
497.03687	0.6
599.35974	0.7
607.30878	0.9
625.35400	2.0
643.27728	44.5
643.36969	7.5
644.27808	5.8
644.37604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.2
59.56858	0.6
61.98833	6.2
67.01899	1.2
69.63548	1.6
69.63965	2.8
71.01406	3.7
71.01764	0.7
72.99316	0.9
85.02940	1.2
88.98831	1.0
89.02455	1.9
93.03466	1.1
95.01412	1.7
96.95994	2.0
97.02927	0.7
101.02435	1.2
107.01390	1.3
107.04974	1.0
108.02174	0.7
109.02962	4.6
113.02429	1.0
116.92877	0.9
121.02972	1.0
122.03703	1.4
123.00901	3.4
123.04522	1.7
124.01617	1.4
125.02452	8.5
135.04532	1.5
135.08136	1.3
136.01688	1.9
136.05290	1.8
137.02452	30.6
137.03505	1.6
139.00371	1.6
139.04015	1.4
141.01869	1.1
149.02448	2.2
149.06085	1.4
150.03221	2.8
151.00378	5.8
151.04018	4.9
151.07628	1.5
152.01102	1.6
152.04800	1.9
161.04607	0.9
162.03259	1.7
163.03972	1.4
164.01178	2.5
164.04773	0.8
165.01935	100.0
165.05605	4.4
165.09184	1.0
166.02715	15.2
167.03442	1.9
168.00606	0.7
169.01442	6.9
173.02328	0.9
175.03932	1.8
177.01932	1.5
177.05515	1.4
178.02751	0.7
179.03511	22.3
179.05093	1.1
180.04289	51.5
181.05054	19.3
181.21109	0.7
187.04027	2.1
190.02693	1.0
192.04182	0.8
193.04996	1.4
194.05833	3.7
195.02937	2.5
195.06627	78.5
196.06975	2.9
197.11803	1.2
205.05092	5.9
209.11913	1.4
210.05338	10.8
211.02480	1.1
218.02292	1.2
220.07440	2.6
225.07689	54.0
226.08018	2.5
229.01378	1.3
246.21274	0.7
257.01013	2.0
274.01199	2.1
275.01978	16.3
276.02274	0.8
299.99182	1.9
301.00015	0.7
301.03336	1.3
329.06589	0.9
329.23343	0.9
343.11853	2.4
359.11307	2.5
386.13293	0.9
387.10541	1.8
387.14600	7.1
388.15051	1.3
402.13211	2.1
403.14005	2.5
408.55588	0.8
416.14697	1.5
417.15570	28.3
418.15710	3.2
430.56769	0.8
481.35968	1.5
491.28448	1.0
565.18707	2.5
580.19598	1.4
595.21869	39.6
596.22205	7.8
625.36279	1.1
643.17352	2.5
643.27856	8.7
643.37061	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	642.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	3.4
62.33688	0.5
65.00317	0.7
69.27330	5.4
69.27673	0.9
77.66697	0.5
80.36960	0.5
98.19837	1.0
107.01401	1.2
108.02166	1.0
121.02967	0.6
123.61629	0.5
135.00882	1.1
148.01695	1.1
151.00359	3.9
153.85652	0.6
163.00330	0.9
178.99907	2.6
192.00481	0.6
211.04008	0.7
226.02768	1.1
227.03543	1.3
243.02972	8.7
254.02208	2.0
255.02972	22.5
256.03320	1.4
271.02475	48.1
272.02972	4.7
299.02011	2.1
300.02750	100.0
301.03299	9.8
351.51242	0.6
579.13544	96.8
580.13904	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	643.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11792	1.4
52.84827	1.4
53.80904	1.6
55.01872	2.1
57.03443	7.2
59.01389	7.7
59.74460	1.5
62.60203	1.4
63.86494	1.3
64.60394	1.5
69.03465	8.4
71.01385	20.1
72.99290	1.8
73.02951	15.6
78.95909	2.2
81.03474	1.7
83.01377	4.8
85.02959	59.3
87.00879	100.0
88.97831	1.6
91.50459	1.5
95.01398	10.2
96.96037	4.6
97.02954	25.8
99.00889	3.4
99.04513	2.0
101.02428	2.5
103.04028	11.9
109.02962	3.2
111.00867	4.4
113.01694	2.9
113.02453	47.8
115.00381	13.6
115.04025	4.1
125.02451	2.0
127.04031	1.9
129.01869	2.7
139.00417	2.1
157.01382	9.9
175.02484	81.6
217.03514	29.3
249.04021	1.9
300.99948	6.3
303.07214	39.6
304.07581	2.3
321.08270	12.6
324.65845	1.7
385.09921	1.6
406.22189	2.1
454.92120	1.7
479.10303	14.3
539.12549	23.5
625.16235	18.3
637.25299	1.6
643.17322	43.6
644.16998	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	641.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99862	0.2
55.01859	0.2
59.01383	1.8
60.68549	0.2
61.98836	0.5
65.38577	0.2
69.03456	0.3
69.51575	0.7
69.51997	0.7
71.01393	1.5
72.72493	0.2
72.73519	0.2
73.02953	0.6
78.95913	0.1
83.01397	0.3
83.05034	0.2
85.02965	0.3
87.00881	0.5
89.02466	1.3
98.20672	0.4
101.02458	1.4
111.08105	0.2
113.02454	0.7
116.74110	0.2
119.03498	0.3
120.25354	0.2
122.05907	0.2
125.02453	0.2
137.06088	0.7
152.04816	2.1
155.10799	0.5
161.04556	0.5
163.07689	0.3
165.05568	4.0
165.12830	0.3
167.10847	0.4
167.14400	0.7
179.05727	0.2
183.13916	6.1
183.15567	0.3
184.14296	0.3
193.12376	1.5
197.11696	0.2
199.09793	0.4
203.90408	0.2
209.11783	0.5
211.13402	100.0
212.13730	5.0
223.13441	0.4
225.11288	0.3
231.64192	0.2
235.08197	1.6
253.09280	3.9
333.47839	0.2
387.25504	0.6
405.26572	0.4
429.21353	0.5
447.02487	0.2
447.16516	0.4
447.22369	4.6
448.22620	0.5
450.59097	0.2
478.33051	0.4
479.33893	1.9
480.34122	0.4
597.32629	0.2
623.35370	1.0
624.37604	0.2
641.40094	1.2
650.53192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
58.00584	0.1
59.01384	1.3
61.98840	0.1
69.03465	0.4
69.50129	0.3
69.50552	0.4
71.01391	1.5
73.02958	0.3
83.01401	0.3
83.05032	0.3
85.02961	0.5
87.00890	0.4
89.02446	1.1
90.75214	0.1
95.01409	0.2
97.06599	0.2
101.02449	1.4
111.19115	0.1
113.02445	0.7
119.03522	0.2
125.02444	0.2
143.03476	0.1
145.05122	0.2
151.11310	0.6
153.98900	0.1
155.10759	0.2
161.04581	0.6
165.12798	0.3
167.10797	0.3
167.14403	0.7
169.12350	1.3
179.05627	0.2
183.13907	6.8
184.14261	0.3
193.12326	1.9
194.12709	0.1
197.11845	0.3
207.10202	0.2
209.11830	2.1
211.13400	100.0
212.13744	5.4
213.11327	0.2
225.11307	0.1
235.08253	1.6
253.09297	4.0
254.09639	0.2
387.25494	0.5
405.26489	0.3
406.28204	0.1
429.21252	0.6
447.22354	4.7
448.22620	0.4
479.26694	0.1
528.82281	0.1
552.29401	0.1
623.34406	0.8
624.35522	0.1
641.31976	2.6
642.32678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
66.87048	0.2
71.01391	1.4
72.99345	0.2
73.02934	0.3
83.01402	0.3
83.05017	0.5
85.71610	0.2
89.02436	0.9
96.51061	0.2
101.02435	1.4
105.61195	0.2
108.92548	0.3
113.02448	0.7
140.39035	0.3
153.05615	0.4
156.89293	0.3
161.04515	0.5
167.10791	0.3
167.14328	0.5
183.13918	6.4
193.05321	0.3
193.12318	1.8
197.11790	0.4
209.11916	0.3
211.13400	100.0
212.13753	4.9
235.08200	1.4
253.09276	3.4
273.37778	0.3
300.99823	0.3
362.12225	0.3
387.25369	0.6
429.21198	0.8
447.22302	5.2
448.22800	0.7
623.34369	0.8
641.33423	0.9
642.34686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
66.87048	0.2
71.01391	1.4
72.99345	0.2
73.02934	0.3
83.01402	0.3
83.05017	0.5
85.71610	0.2
89.02436	0.9
96.51061	0.2
101.02435	1.4
105.61195	0.2
108.92548	0.3
113.02448	0.7
140.39035	0.3
153.05615	0.4
156.89293	0.3
161.04515	0.5
167.10791	0.3
167.14328	0.5
183.13918	6.4
193.05321	0.3
193.12318	1.8
197.11790	0.4
209.11916	0.3
211.13400	100.0
212.13753	4.9
235.08200	1.4
253.09276	3.4
273.37778	0.3
300.99823	0.3
362.12225	0.3
387.25369	0.6
429.21198	0.8
447.22302	5.2
448.22800	0.7
623.34369	0.8
641.33423	0.9
642.34686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.1
57.03469	0.9
59.01386	10.5
61.98840	5.5
69.03476	1.2
71.01393	8.6
71.60545	1.2
72.99323	1.0
73.02975	2.9
80.02706	1.0
81.03490	2.4
83.01412	2.0
83.05057	3.1
85.02959	3.4
85.69206	0.6
87.00930	2.1
89.02473	5.2
95.01391	0.8
95.05047	1.1
96.21808	0.6
96.96044	0.8
97.02967	4.8
97.06620	0.9
99.00916	1.6
101.02460	7.2
102.28433	0.7
109.06606	18.8
110.03751	0.9
110.06992	0.7
113.02472	4.6
119.03531	1.5
121.06670	1.9
123.04553	1.0
125.02474	1.2
125.09761	1.4
127.39240	0.7
132.84615	0.7
135.08160	3.7
136.05298	1.7
137.06140	1.3
142.02760	2.2
143.89178	0.7
145.05113	1.1
145.85005	0.6
148.05319	0.7
149.11099	0.8
150.06914	1.3
151.11354	1.1
152.04803	4.8
153.09290	0.9
153.12897	1.2
161.04568	2.2
161.09781	1.6
162.06920	1.3
163.07683	1.3
163.11304	11.0
165.05588	13.6
169.12344	10.8
170.12558	0.6
179.05681	1.3
179.10786	1.1
181.12404	3.0
183.13959	3.5
185.11855	2.8
189.09239	1.1
193.12430	0.9
197.11845	100.0
198.12154	5.2
199.13344	1.2
207.10277	55.0
208.10664	2.0
209.11830	4.1
210.12317	0.8
211.13416	50.2
212.13742	3.5
225.11340	27.4
226.11736	1.9
235.08253	5.4
235.13225	0.8
237.11324	1.0
249.14909	1.0
253.09312	11.7
283.11984	0.7
299.15042	1.2
306.74091	0.7
308.51611	0.7
325.21643	2.1
341.21222	1.5
343.22763	0.9
359.22247	3.7
361.23938	1.2
369.20758	5.6
377.23303	3.9
387.21765	11.6
388.21826	1.8
396.82428	0.8
405.22852	5.3
406.23346	0.9
433.20541	2.8
443.18933	3.3
447.22171	2.3
461.20285	8.9
478.32770	1.2
479.26620	1.2
479.33243	8.1
480.34079	0.9
595.31067	3.1
605.29614	1.1
623.30676	21.1
624.31073	4.4
641.31458	32.2
642.31989	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	641.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20168	0.6
57.03466	0.7
59.01385	15.3
61.98833	7.3
61.99093	0.6
69.03481	2.4
71.01385	10.8
71.59618	0.8
71.60025	0.8
72.99339	0.9
73.02982	3.2
74.03651	0.8
78.95933	2.6
79.95776	1.3
80.02724	1.0
81.03499	2.3
83.01417	1.8
83.05037	3.6
85.02956	4.6
87.00916	2.8
88.98820	0.8
89.02443	6.8
89.60983	0.8
93.03496	0.7
95.01395	1.4
95.05070	2.0
96.96014	17.8
96.96993	2.5
97.02965	5.7
97.06618	0.9
99.00915	2.4
99.04503	0.9
100.74369	0.7
101.02448	8.9
107.05070	0.9
109.02962	0.9
109.06600	23.5
110.03730	0.9
111.00862	0.9
113.02467	5.6
119.03532	2.0
121.06606	2.0
123.00923	1.4
123.04523	1.7
123.08250	1.0
125.02452	3.8
125.09757	2.9
135.04596	1.5
135.08191	2.6
136.05301	2.6
137.02422	0.8
137.06097	2.7
142.02733	1.6
145.05025	1.7
148.05283	1.1
149.06062	1.1
150.06854	1.7
151.03902	0.8
152.04797	10.4
153.12860	1.6
158.50081	0.8
161.04579	3.1
161.09731	1.6
162.06969	0.7
163.07629	3.3
163.11305	11.6
165.05580	14.1
169.01418	2.2
169.12344	8.8
171.10242	3.7
179.05562	1.3
179.10786	2.2
181.12364	3.9
183.13921	2.4
185.11847	3.8
189.09279	2.2
189.12909	1.0
193.12383	0.9
197.11833	100.0
198.12183	5.2
199.13429	1.2
201.11371	1.0
207.10274	61.9
208.10564	2.9
209.11836	10.6
210.12154	3.3
211.13408	49.5
212.13753	5.6
213.13992	0.9
221.11774	1.0
223.13419	0.9
225.11331	33.7
226.11597	1.6
235.08290	6.3
235.13437	1.1
243.12454	0.8
248.02901	0.7
249.14917	0.8
251.00455	0.9
251.13002	1.1
251.16211	0.8
253.09305	10.5
315.23343	1.3
325.21606	2.1
341.21182	1.0
343.22668	1.6
359.22397	4.7
369.20724	5.3
377.23279	3.4
387.21741	13.0
405.22665	7.2
433.20395	2.1
443.18921	2.7
447.22278	1.9
461.20297	11.3
462.20557	1.2
478.32571	1.4
479.33578	13.3
480.33878	1.8
595.30634	2.8
597.36249	1.0
605.29218	1.8
610.66901	0.8
623.30670	24.3
624.31067	5.3
641.31555	33.2
642.32019	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	641.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43174	0.8
56.99872	0.7
57.03434	2.0
59.01141	1.0
59.01389	12.3
61.98830	2.7
69.63760	1.1
71.01382	7.8
71.60726	1.0
72.99307	1.1
80.05061	2.4
83.01388	1.8
85.02952	2.5
87.00874	3.2
89.02442	5.6
94.06628	1.2
95.01406	1.1
96.96014	2.4
99.00869	1.1
101.02462	3.9
106.06639	2.8
107.01395	1.2
113.02438	3.5
116.92794	0.8
119.03517	2.2
120.04534	3.8
121.02978	0.8
121.05321	3.9
122.06130	6.4
123.04524	0.9
124.07670	8.6
125.02425	4.4
132.04489	1.0
136.04030	2.3
140.07256	1.0
148.04056	27.3
148.07687	1.5
150.03249	1.1
150.05585	6.8
151.00317	0.9
151.03981	1.0
164.04868	1.2
165.05672	0.9
166.05026	1.0
168.06650	3.9
169.01405	3.3
174.09317	1.0
175.04074	0.9
177.38271	0.8
179.07115	1.0
190.05161	0.9
194.04594	1.8
195.06448	1.3
196.07634	1.1
197.07172	2.5
211.08780	1.4
213.10211	1.5
224.09601	1.0
225.06697	3.9
225.10344	1.9
226.07346	1.9
226.10899	1.0
227.11884	2.8
229.09767	3.5
237.10332	4.9
239.08284	9.9
239.11929	1.6
240.09003	9.2
241.09685	2.7
243.11339	1.4
244.12148	2.2
249.03885	1.3
253.09853	2.4
254.10597	24.8
255.11388	62.6
256.11749	5.1
257.09402	1.0
271.10919	1.0
272.11737	4.0
273.12439	20.2
297.12418	3.8
298.09622	9.1
299.10287	4.8
300.99933	4.5
343.11768	0.9
371.89063	0.9
372.09589	1.1
417.16772	4.8
435.17758	12.7
436.17862	1.8
461.15594	4.8
475.03217	1.1
478.15866	2.1
479.16727	100.0
480.17038	11.9
641.21924	43.6
642.21997	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	641.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01383	2.2
61.98835	8.1
71.01391	2.2
72.31197	0.3
72.99316	0.6
73.02951	0.5
74.99108	0.4
78.95895	0.4
83.01408	0.4
83.02760	0.3
83.71847	0.3
85.02941	0.8
88.98843	0.6
89.02464	1.0
93.03465	1.1
96.96017	2.9
97.02994	0.4
99.00873	0.3
101.02444	1.4
107.01410	0.4
108.02209	0.4
109.02965	2.0
111.00853	0.4
113.02484	0.7
117.05619	0.4
119.05022	0.4
121.02962	1.3
122.03716	0.4
123.00912	0.6
123.04537	1.0
125.02440	1.6
133.02968	4.4
134.03775	3.3
135.04498	0.5
136.05333	4.6
137.02466	7.6
138.02748	0.4
139.00339	0.3
139.04042	2.0
149.06097	2.1
150.03235	0.9
150.06853	1.3
151.00421	0.6
151.07716	0.9
153.01942	2.1
153.12671	0.3
161.02463	11.1
161.04552	0.6
162.02840	0.4
163.07663	0.6
163.11302	0.4
164.08363	0.3
165.01843	0.3
165.05559	0.5
165.09209	2.9
167.03516	0.4
169.01434	1.2
177.09129	0.3
178.02692	1.6
179.10779	1.0
192.04317	0.6
193.05066	100.0
194.05423	4.2
195.10262	0.6
197.11885	1.7
197.24146	0.3
207.10265	0.8
209.11745	2.1
210.12169	1.0
211.13260	0.6
225.11258	1.5
229.05119	0.8
253.09149	0.4
296.06915	0.3
387.21970	0.4
447.09656	4.4
448.10129	0.6
478.32965	1.1
479.20425	0.4
479.27570	0.5
479.33890	10.7
517.20752	4.7
518.21283	0.4
561.19794	11.5
562.20227	1.9
623.31787	0.5
641.15448	10.7
641.35480	10.4
642.16083	1.8
642.35046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1356
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.70229	0.5
58.03874	0.5
61.98837	2.3
70.46011	0.6
70.46336	1.2
71.09280	0.5
72.72900	0.5
95.01408	0.5
96.96023	1.7
109.02939	1.0
110.00103	1.7
111.00903	1.3
121.02940	0.8
123.00872	1.4
125.02419	1.4
131.04939	0.6
137.02412	0.6
137.99553	1.0
139.00404	3.6
149.02400	0.9
151.00389	1.1
161.02493	0.8
163.03943	0.8
164.98303	0.8
165.99121	3.8
166.99846	3.1
169.01421	1.4
171.04517	1.7
173.02409	0.7
174.03285	1.1
175.00288	0.5
175.04012	0.5
178.99864	5.0
187.04016	1.3
189.01895	1.0
191.03503	0.7
194.99376	1.3
198.03195	1.4
199.04030	2.0
201.01929	1.1
203.03433	1.2
213.02054	0.6
214.02742	0.6
215.03543	2.9
226.02684	1.2
227.03542	1.5
231.02966	2.7
232.03810	0.6
237.04321	0.8
242.02185	2.3
243.02921	4.5
244.03665	1.1
247.02434	0.7
249.03976	0.9
258.01593	0.8
259.02429	3.8
270.01672	5.5
271.02469	23.1
272.02786	1.6
275.01883	1.4
287.01981	30.8
288.02515	2.6
299.02115	1.5
300.99854	3.7
315.01462	11.4
316.02228	51.4
317.02945	14.1
318.03391	0.8
380.20679	0.6
478.07614	0.9
479.08322	100.0
480.08600	9.2
491.79504	0.5
641.13574	15.4
642.14014	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	640.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.4
61.98840	13.5
69.85346	5.9
81.03458	2.5
83.01389	4.5
93.03439	2.6
95.01349	1.9
95.05010	1.6
96.96003	3.9
97.02935	4.0
103.03976	2.1
107.05009	1.8
109.02961	18.3
121.02983	4.0
123.04537	11.3
125.02454	100.0
126.02715	3.6
133.02898	2.3
135.04538	2.9
137.02458	22.2
139.04016	4.5
145.02924	2.9
149.02411	5.1
151.04045	14.2
159.04431	1.6
160.05168	2.0
161.02438	26.1
161.06067	7.1
162.03230	2.3
163.04027	3.7
164.01122	3.2
165.01891	5.4
169.01384	4.6
175.03999	12.9
177.01935	5.5
179.03493	6.5
187.03990	7.6
188.04626	3.8
190.02507	1.8
203.03439	2.1
203.07150	8.3
205.01187	3.0
205.05023	6.7
213.05600	2.5
215.03537	2.5
217.05127	2.7
221.08153	2.7
227.07190	2.2
229.05070	4.0
245.04530	7.4
245.08173	14.8
246.08615	2.0
247.06088	2.3
249.04134	2.8
255.03090	8.9
256.03619	4.5
269.04468	2.6
271.99203	1.7
273.04007	4.6
275.01862	2.5
281.04523	4.4
285.04187	3.9
287.05576	14.1
289.07199	69.1
290.07431	5.5
299.05615	6.5
300.99960	5.8
339.08618	4.1
351.12820	2.6
381.09769	3.4
407.07709	68.0
408.07980	4.6
425.08749	53.9
426.09021	4.9
451.10312	23.4
452.10660	2.7
479.08441	2.3
559.12378	4.7
577.13422	32.3
578.13898	4.9
623.15509	2.0
641.12915	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03449	3.8
59.01383	23.0
61.98835	17.6
63.36225	1.4
65.03973	2.1
71.01381	22.8
73.02967	5.6
78.95912	18.6
81.03474	1.8
83.01415	4.9
83.05020	8.0
85.02941	9.1
85.06603	1.6
86.00114	1.4
87.00873	8.2
89.02451	14.0
91.18544	1.5
93.03472	2.0
95.01413	3.5
95.04979	2.0
97.02956	1.4
97.06596	4.2
98.19901	3.2
99.00915	2.1
101.02446	18.0
102.73965	1.3
104.35213	1.4
107.05085	1.3
109.06632	3.6
111.00948	2.2
111.08171	6.0
113.02463	10.2
119.03500	2.4
119.05055	2.0
122.03783	1.9
123.08194	2.9
124.01678	1.7
125.02480	4.5
125.09733	12.4
135.04562	2.7
135.08220	2.2
136.05307	53.6
137.05920	2.3
137.09766	4.2
145.05106	4.2
148.05363	3.3
149.06082	9.8
150.06886	16.0
152.99605	9.2
161.04575	7.0
163.07677	3.6
163.11340	3.7
164.08418	1.9
165.05537	6.4
165.09238	30.7
166.09546	1.5
169.01463	2.9
171.10291	59.1
172.10614	3.1
179.05635	2.2
179.07188	2.4
183.13960	4.8
185.11928	1.8
187.09749	1.4
189.16661	1.4
201.12939	2.3
205.15994	3.2
207.13957	1.9
209.11844	57.5
210.12236	4.2
211.13412	60.7
212.13724	3.1
213.12994	1.4
213.15129	1.9
215.14400	11.8
220.00060	1.4
221.15421	1.6
227.13000	1.6
231.13951	4.1
233.15474	33.9
234.15863	1.9
235.08162	10.0
237.15031	2.1
247.17041	1.8
247.67438	1.3
249.14960	30.0
250.15413	1.9
253.09285	8.0
311.22272	16.4
331.26514	4.5
341.24973	5.9
359.26193	2.3
367.22974	4.2
375.25635	4.8
379.15234	2.0
385.23874	27.9
386.24417	2.6
393.26300	1.8
403.24899	42.8
404.25497	4.5
405.41168	1.4
407.19376	1.9
421.25958	13.6
459.31522	5.2
476.31332	2.4
477.32135	44.5
478.32776	5.1
485.23944	3.6
519.33661	1.5
575.26166	7.5
607.29297	6.2
611.34528	2.3
621.32831	100.0
622.33142	14.2
622.41522	1.5
628.87787	1.6
639.36304	76.9
640.37524	13.3
642.45374	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	637.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37960	3.4
53.56825	3.7
57.94313	4.0
67.25952	3.8
78.95909	45.3
79.92606	3.1
95.01389	5.3
96.96956	3.5
98.19924	10.1
105.19650	3.0
124.01661	16.4
125.59830	3.6
139.04001	10.2
140.23587	4.2
148.55992	3.5
151.00336	5.6
152.01144	18.5
152.99573	25.8
153.05580	5.1
165.01910	4.2
166.02689	14.8
173.61679	3.7
179.03474	27.2
201.11307	6.2
209.11775	11.4
221.15591	4.0
255.23297	30.9
293.17630	56.5
343.19141	100.0
344.19614	8.0
347.18573	3.7
381.12952	4.1
391.22437	6.9
578.81305	4.1
619.35895	10.5
637.38519	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	639.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69245	0.4
59.01381	0.8
63.02421	0.8
65.00333	1.8
71.38049	0.9
76.94846	0.4
83.01389	0.9
88.98815	1.3
89.02444	0.4
93.03465	0.6
96.95996	0.7
107.01404	3.2
108.02181	1.8
109.02960	0.9
116.92921	1.1
117.05619	0.7
121.02942	1.8
124.01595	0.4
125.02483	1.4
133.02985	0.6
134.03732	0.7
135.00905	0.9
135.04471	0.6
136.05301	0.4
139.04037	2.1
139.60199	0.4
147.04433	0.4
148.01675	1.7
149.02458	0.6
151.00380	10.5
159.04544	0.5
160.01665	0.9
161.02467	2.5
163.00391	1.9
164.01146	1.0
165.01807	0.4
169.01413	1.6
175.04039	1.3
177.01935	0.4
178.99879	5.1
179.03540	0.6
183.03142	2.1
183.04477	0.7
184.39627	0.4
187.03923	0.5
190.99907	0.5
192.00742	0.7
199.03993	1.1
203.03430	0.4
211.03995	1.2
215.03519	0.8
216.04193	0.5
226.02693	2.2
227.03568	3.6
243.02995	11.4
244.03510	1.2
244.24454	0.4
245.04521	0.9
254.02170	2.6
255.02998	28.8
256.03461	2.0
256.05841	0.4
257.04681	0.6
271.02490	59.7
272.02985	5.3
273.03976	1.1
283.02417	1.0
287.68170	0.4
289.60281	0.5
299.02161	2.4
300.02774	100.0
301.03479	35.8
302.03937	2.2
314.04370	0.9
315.05087	3.7
323.07730	2.6
343.04483	0.6
430.49350	0.4
463.08856	46.8
464.09244	4.1
477.10376	2.9
477.28482	0.5
541.23669	0.5
565.08020	0.4
613.08313	0.4
639.13580	46.9
640.13843	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94501	0.7
55.01873	1.1
57.03447	1.7
58.00583	1.0
59.01382	12.1
61.98835	3.7
64.60857	0.6
65.03954	1.9
69.03458	1.6
71.01386	12.4
72.99307	1.8
73.02944	3.0
81.03436	1.4
83.01402	1.9
83.05019	2.0
85.02959	3.6
87.00876	4.6
89.02468	5.5
91.04060	0.8
91.05527	1.5
93.03445	0.8
95.01419	1.4
95.05028	1.8
97.02992	0.9
97.06588	2.9
99.00857	0.9
99.33633	0.7
101.02443	8.6
105.07106	0.9
106.24079	0.7
109.06587	2.6
111.08180	0.9
113.02449	3.9
115.05546	2.4
119.03553	1.1
121.06638	1.1
123.08157	2.4
125.02461	1.1
125.09730	10.2
133.10231	0.9
135.08156	2.0
143.03569	0.8
145.05075	1.4
153.05611	0.9
161.04581	2.4
163.11328	1.0
165.05551	1.9
165.12796	0.9
171.10243	2.7
185.11894	3.4
185.13316	0.9
187.09795	1.3
187.14990	4.4
191.10843	1.4
193.12357	0.8
205.12306	1.3
207.10260	1.3
209.11803	15.8
211.13397	1.4
213.12898	6.5
215.10767	1.1
221.15421	1.6
227.14388	0.8
231.13884	11.4
233.11864	2.8
235.08249	3.7
235.13237	0.8
247.13361	2.2
249.14925	3.2
253.09251	1.3
261.15125	1.1
307.15436	1.0
311.23236	0.7
321.22369	0.8
329.24890	1.1
339.23212	3.1
357.24341	1.4
365.21164	2.1
373.23862	4.4
383.22211	14.7
384.22629	1.3
391.25031	1.9
401.23398	17.6
402.23541	2.1
419.24402	5.6
421.40640	0.8
475.30606	2.2
493.27869	0.9
609.32574	2.2
619.31219	100.0
620.31573	17.1
637.32196	31.9
638.32654	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	637.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.1
57.03449	0.2
59.01385	1.8
61.98837	0.9
65.76942	0.1
69.03448	0.2
71.01389	1.7
71.01770	0.2
71.05023	0.1
72.99288	0.1
73.02951	0.3
75.00893	0.1
75.31078	0.1
79.05534	0.2
80.02681	0.8
81.03034	0.1
81.03466	1.1
83.01399	0.3
83.05033	4.2
84.05331	0.1
85.02951	0.5
87.00851	0.4
88.98781	0.2
89.02457	1.0
91.04047	0.1
93.03463	0.2
95.01422	0.2
95.05049	0.7
96.96011	0.6
97.02943	0.1
97.06613	0.3
99.00899	0.1
99.04494	0.1
101.02451	1.3
106.04222	0.1
107.05035	0.1
109.06594	0.3
111.00928	0.1
111.08185	0.1
113.02457	0.7
115.03992	0.1
117.05621	0.2
119.03526	0.3
119.05021	0.1
122.03785	0.1
123.04621	0.1
123.08171	0.2
124.04202	0.1
125.02491	0.3
125.06093	0.5
125.09725	0.6
131.03540	0.1
133.05084	0.1
135.08197	0.6
137.06091	0.1
137.09727	0.1
143.03606	0.1
145.05051	0.2
147.11816	0.2
149.09726	0.2
161.04594	0.4
163.11305	3.5
164.11627	0.1
165.05553	0.7
165.12851	1.9
169.01451	0.2
171.10258	0.6
173.09744	0.1
175.11273	0.1
179.05563	0.1
181.12373	0.6
187.09747	0.1
187.11320	0.1
187.14919	0.1
189.12845	0.1
191.10796	1.0
203.14412	0.1
207.10196	0.2
209.11841	100.0
210.12169	4.6
211.13339	0.2
229.05025	0.2
229.12357	0.1
231.13919	0.2
233.11606	0.1
235.08218	1.0
247.13490	0.3
249.14970	0.9
250.15100	0.1
251.13049	0.1
253.09302	3.0
254.09718	0.1
316.28607	0.1
339.23318	0.2
383.22351	0.8
401.23380	2.2
402.23749	0.3
419.24448	1.4
420.24622	0.1
445.20975	1.0
446.21375	0.1
475.30984	0.5
493.28125	0.2
619.31055	0.3
637.32373	6.3
638.32733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.5
69.44889	9.2
71.91134	1.1
74.88248	1.1
78.95891	1.2
93.64482	1.1
117.03447	4.9
119.05028	16.3
121.02966	47.1
125.02430	3.4
134.89529	2.1
135.04520	1.4
145.02963	26.9
146.03276	1.8
163.04034	2.7
181.05055	1.9
230.13145	1.3
453.33810	9.6
458.71490	1.4
471.34616	3.8
497.32666	10.5
498.33014	1.5
513.35187	2.3
609.46918	1.3
617.28107	2.5
617.38477	72.6
618.38812	11.9
635.39539	100.0
636.39905	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	635.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35141	0.9
80.55513	0.6
82.89064	0.5
99.81724	0.6
117.03474	14.3
119.05039	29.4
119.05905	1.4
120.05354	1.2
121.02964	65.5
122.03285	1.4
127.72192	0.5
135.04503	1.1
138.31795	0.6
145.02963	63.1
146.03329	2.9
162.03281	0.8
163.04001	4.8
181.05040	2.1
258.89023	0.7
263.75763	0.7
273.57806	0.7
327.35587	0.6
397.95020	0.6
453.33691	5.3
454.33731	0.7
469.33731	0.8
471.34937	2.5
485.66968	0.6
489.13599	0.6
497.32748	18.5
498.32831	2.6
513.35999	0.7
573.39813	1.6
617.38489	100.0
618.38824	19.0
635.39520	26.8
636.39825	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	635.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86223	0.5
59.01387	100.0
60.01726	0.9
70.56485	0.5
71.01395	2.2
76.92238	0.5
78.95959	0.7
89.02460	3.8
96.87542	0.5
98.19928	1.7
101.02476	1.7
102.49785	0.6
104.67113	0.5
110.85629	0.5
113.02470	1.8
117.97662	0.5
119.02763	0.6
119.03526	2.3
179.05699	0.6
217.74223	0.6
229.29764	0.7
271.52597	0.6
283.99667	0.6
333.38284	0.5
591.47321	0.6
635.46771	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	636.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02696	0.8
58.02978	11.9
59.01373	1.2
61.98813	1.1
69.03471	0.5
70.02977	5.5
71.01395	0.8
71.60300	0.5
72.00906	3.1
73.02959	1.5
74.99078	0.7
79.95747	0.6
85.02975	0.8
87.00858	0.5
91.05530	2.0
94.16357	0.6
95.01404	1.1
96.96031	4.9
99.92585	1.1
101.02464	0.5
107.01426	1.2
109.02937	1.0
111.00882	0.5
116.92867	13.3
117.01965	1.9
117.08623	0.5
117.92876	5.4
118.92630	0.7
121.02969	0.6
123.00884	1.9
125.02455	13.5
126.02797	2.7
137.02437	1.3
139.00389	0.8
147.04535	23.1
148.04945	0.6
149.02463	1.2
150.03223	2.1
150.78497	0.6
151.00389	1.1
151.03709	1.0
164.07176	54.3
165.01952	3.1
165.05574	2.4
165.07533	1.8
166.02254	0.6
166.05952	0.6
169.01431	12.6
170.01787	5.0
175.04106	0.6
180.04272	1.8
181.04694	1.1
191.03458	0.7
193.01436	0.8
195.06638	5.6
196.06938	2.9
203.03468	1.1
206.08229	100.0
207.08594	4.6
211.02438	1.4
212.02756	0.6
229.01387	0.6
231.02835	0.7
247.02629	0.7
249.04066	1.3
250.07135	0.8
271.04700	0.9
272.04926	0.7
275.02026	1.8
300.99976	4.7
302.00153	1.0
313.05832	0.8
314.06207	1.8
331.06888	0.6
332.07132	1.3
336.02667	0.5
377.03290	1.6
440.09412	1.3
466.07111	1.0
483.07257	0.7
484.08029	2.8
491.50214	0.6
573.21747	1.6
592.10345	0.9
606.41083	0.6
636.09027	7.8
637.09308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57181	0.9
59.01376	1.0
61.98823	2.5
63.04142	0.9
69.37648	6.2
69.38063	1.4
78.95938	1.0
98.19794	2.0
99.80296	0.9
110.34875	0.9
117.03483	7.5
119.05032	21.7
120.05358	0.9
121.02960	60.3
123.04493	1.0
125.02438	2.6
139.03949	0.9
145.01855	1.8
145.02966	37.1
146.03279	1.1
163.04033	3.1
163.34093	1.0
178.39288	1.0
285.59204	0.9
338.91980	1.0
364.95065	1.0
453.33786	7.4
454.34274	1.4
471.35324	2.2
497.32825	16.9
498.33411	1.5
513.35901	3.9
617.38501	93.8
618.38800	18.0
635.39551	100.0
636.39740	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.4
59.01384	29.1
61.98836	14.9
69.25105	1.6
69.25509	8.0
70.74038	0.9
71.01051	1.0
71.01388	13.6
71.04997	1.7
72.99292	1.3
73.02927	4.0
83.01377	3.2
83.05016	2.2
85.02956	6.0
87.00875	6.3
88.98804	2.2
89.02430	5.6
95.01415	1.1
95.05019	1.2
96.96018	4.4
97.06576	2.2
99.04505	1.9
101.02449	9.6
105.07025	1.4
107.05038	5.3
109.06546	1.5
113.02432	4.5
116.92865	1.0
117.05568	5.0
119.03416	1.1
119.04942	1.3
120.05779	2.8
123.04516	1.2
125.02413	3.5
126.90406	2.2
135.04471	2.6
135.11795	1.5
137.06036	1.4
138.06854	2.2
139.04024	1.4
141.05577	1.0
147.08070	1.1
151.07668	2.1
152.08394	2.2
153.08250	0.8
153.09229	11.7
154.09480	1.0
157.06471	1.2
158.95709	1.0
161.04527	2.9
161.09721	14.1
161.13290	4.1
162.10080	1.0
163.03903	1.1
163.11235	4.2
165.05467	1.6
169.01340	2.7
179.10789	7.3
187.11275	15.9
189.09218	10.4
193.58034	1.0
203.10719	1.9
205.12338	13.7
206.12593	1.1
207.10226	5.1
209.11775	2.2
221.11719	1.2
223.13344	2.4
249.11270	9.4
266.42725	1.1
267.12421	4.7
267.15909	3.4
321.11725	2.8
357.26199	1.3
367.13834	2.7
369.15445	1.1
373.25916	1.1
385.18973	1.1
429.17639	1.4
617.29749	1.6
635.30402	100.0
636.30878	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	635.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40099	1.0
52.63399	1.0
57.03440	3.5
58.00588	1.1
59.01107	1.5
59.01386	26.9
61.86077	1.0
61.98835	14.0
66.33849	1.2
71.01392	14.5
71.05015	1.2
71.61083	2.1
72.99264	1.1
73.02946	4.2
78.20747	1.0
78.95912	1.1
79.05525	1.4
83.01390	1.5
83.05019	2.1
85.02978	5.8
85.81732	1.2
87.00885	5.3
88.98808	3.8
89.02451	7.2
95.01372	2.2
95.04952	1.3
96.95983	3.4
97.06614	1.8
99.00919	1.4
101.02453	7.7
105.07156	1.0
107.01346	1.4
107.05023	4.7
111.00867	1.8
113.02426	5.2
113.82181	1.1
116.92842	1.8
117.05572	2.7
119.03497	3.6
120.05796	3.2
123.00866	3.2
123.08140	1.2
125.02475	9.0
126.90409	1.2
133.06635	1.2
135.04491	2.1
137.02330	1.1
138.06879	2.4
139.00378	1.7
140.01064	1.3
141.01897	1.2
151.00377	2.7
151.07649	1.5
152.04793	2.1
152.08391	2.5
153.09247	7.7
157.06476	1.2
161.04550	2.5
161.09731	20.8
161.13390	7.4
163.11250	4.0
169.01451	10.6
171.10258	7.1
179.10701	1.3
187.11298	19.2
189.09212	11.6
190.09616	1.8
201.11311	2.2
203.10834	2.2
205.12350	16.2
207.10217	3.0
209.11827	5.3
223.13329	2.7
249.11362	11.8
253.09116	1.6
267.12268	5.8
300.91949	1.1
369.14859	1.3
385.18668	1.7
483.18726	3.0
567.33362	1.8
572.27753	3.6
573.28986	3.6
617.29169	2.4
635.20251	11.4
635.30530	100.0
636.30981	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	635.0894
Annotation	Gallotannin
Peak:m/z	Relative Intensity
56.03931	0.5
58.08883	0.6
59.01400	0.8
68.99834	0.5
69.03458	1.4
71.01396	1.6
72.99348	0.7
73.02979	0.7
76.48468	0.5
81.03463	0.9
82.64867	0.5
85.02976	1.8
95.01398	1.4
96.96046	1.0
97.02962	2.7
101.02436	1.4
102.20816	0.6
107.00333	0.7
107.01393	7.5
107.05044	0.8
111.00900	1.0
113.02450	1.5
116.92844	0.9
121.02990	0.8
123.00890	4.5
124.01659	1.2
125.02455	80.5
126.02818	1.8
137.02438	1.7
139.00378	2.0
140.01170	2.0
149.02409	0.7
151.00371	2.5
151.04074	0.9
153.01950	0.8
163.04091	0.6
165.01947	1.3
165.05576	1.1
166.99855	1.2
167.03447	0.9
168.00648	3.7
168.55403	0.6
169.01434	100.0
170.01784	3.5
177.01933	1.2
190.99878	0.8
191.03624	0.7
193.01398	4.0
195.06734	0.7
203.03574	0.8
207.02924	0.7
211.02475	9.7
223.02493	0.8
230.12749	0.8
241.03476	1.3
249.04112	1.5
263.86612	0.5
271.04675	5.1
275.01993	1.4
295.04562	5.1
300.99881	5.6
302.00208	2.8
303.00513	1.6
313.05704	6.8
314.88309	0.6
331.06714	0.8
423.05621	2.4
465.06760	12.6
466.07504	1.0
483.07864	12.7
484.08499	1.1
635.08875	64.1
636.09253	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	633.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46959	0.9
53.93941	1.0
55.91705	0.8
56.06012	1.0
59.01376	1.3
61.98832	3.8
68.35442	1.2
69.92952	5.6
71.01395	1.1
73.02944	1.6
73.09987	1.1
75.07168	1.0
85.02953	1.3
101.02440	6.4
113.02451	1.4
116.21724	1.2
117.03490	24.6
119.05046	9.1
121.02963	1.1
145.02972	100.0
146.03366	5.0
161.04573	1.6
162.83897	1.5
163.04016	8.1
250.97498	0.9
261.14459	1.0
275.01941	1.4
300.99863	4.1
455.31711	1.5
471.34830	77.8
472.35126	10.0
571.38330	1.3
633.38019	79.3
634.38373	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.38
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
61.98832	1.2
65.01629	0.4
71.61576	0.8
78.95915	0.6
100.84519	0.5
117.03471	25.4
118.03824	1.1
119.05023	5.1
125.02433	0.6
125.09739	0.8
145.02963	100.0
146.03314	4.3
147.04411	0.5
163.04039	3.9
165.05705	0.4
171.10242	0.9
300.99905	1.6
323.83939	0.4
455.31494	0.6
467.31433	0.8
613.42639	0.5
633.38025	81.2
634.38318	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	633.38
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46832	0.6
61.98823	1.1
67.93030	0.6
69.40229	4.7
71.01368	0.6
78.95890	0.7
83.05023	0.7
94.06298	0.5
115.40630	0.6
117.03474	23.0
118.03798	0.8
119.05031	5.3
120.83085	0.5
121.02948	1.3
123.04501	0.6
125.02557	0.6
125.09712	1.7
126.78791	0.6
145.02962	75.0
146.03262	2.6
147.04581	1.1
162.03203	0.6
163.04018	2.5
171.10283	1.2
187.09734	1.2
201.11365	0.6
209.11827	0.9
248.08127	0.5
300.99857	1.7
320.13287	0.6
571.38239	0.7
589.39191	3.1
615.37061	0.9
633.38019	100.0
634.38336	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	633.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92792	0.3
51.54584	0.3
52.28228	0.3
52.74100	0.3
57.66732	0.3
60.47688	0.3
69.68645	2.0
76.15344	0.3
76.51435	0.3
78.52316	0.3
107.33733	0.3
116.26743	0.3
117.03474	26.9
118.03787	1.0
119.05037	4.2
145.02962	100.0
146.03311	4.3
155.70464	0.3
163.03999	3.0
264.99615	0.4
293.65842	0.3
425.30704	0.7
439.31686	0.3
455.31662	0.9
467.31946	0.8
469.33072	0.8
544.58826	0.3
633.37976	74.0
634.38348	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	633.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48177	0.4
66.75401	0.3
69.64387	2.1
103.48161	0.4
113.96120	0.3
117.03482	23.6
118.03838	0.9
119.05050	4.0
121.03014	0.4
145.02971	100.0
146.03323	3.5
163.04044	2.8
182.06326	0.3
274.30032	0.3
414.97540	0.3
455.31406	0.7
467.31549	0.8
469.33127	0.5
473.68185	0.4
633.38037	72.8
634.38367	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	633.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03440	5.4
57.97801	0.9
59.01378	9.3
60.76537	0.8
61.98528	1.4
61.98829	21.6
69.03432	1.9
71.01041	1.1
71.01385	10.3
71.05001	1.1
71.60675	1.1
72.99316	0.9
73.02934	2.6
75.00877	1.4
80.02670	2.1
81.03445	2.1
83.01369	2.1
83.05018	4.9
84.95149	0.8
85.02965	4.3
85.06502	0.7
87.00879	7.0
87.04523	0.9
88.98787	3.0
89.02450	7.5
95.01377	0.9
95.04987	2.4
96.96019	5.8
97.02890	0.9
97.06592	16.2
101.02449	8.3
107.01372	1.5
113.02428	5.4
113.06059	1.5
116.92867	1.1
119.03475	1.5
123.00864	3.1
123.04440	1.1
123.08147	6.7
125.02461	7.5
125.09729	100.0
126.10016	3.1
135.04453	1.3
135.08084	1.1
137.02423	1.0
139.03987	2.5
143.10739	1.1
151.00368	2.3
153.05475	1.0
161.02415	0.9
161.04478	2.6
163.11205	3.2
165.12805	1.9
169.01425	8.0
169.08662	2.5
171.10278	5.8
178.15564	0.8
179.03497	1.1
187.09755	62.0
188.09959	2.2
201.11317	1.4
207.10211	1.5
209.11826	50.6
210.12093	2.4
211.09705	1.1
211.98842	0.9
223.78348	0.9
225.11285	1.5
227.12944	4.4
235.08322	2.1
239.71010	0.9
253.09328	4.4
261.13486	1.4
271.04639	1.4
287.72726	0.9
289.07126	1.0
300.99719	2.9
313.05533	1.7
386.45007	0.8
405.17761	7.5
423.13553	1.2
423.18719	17.4
450.82385	1.0
465.06384	1.7
570.26459	4.0
571.25098	3.3
615.29388	7.4
616.30109	1.7
633.31036	92.1
634.21832	1.1
634.31409	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	633.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03458	8.8
58.00600	1.8
59.01386	45.9
61.98833	4.3
63.16640	1.3
71.01389	55.9
71.61172	1.7
72.99322	3.2
73.02956	3.7
83.01391	8.8
83.05025	2.0
85.02958	34.4
85.03442	1.8
86.99239	1.0
87.00903	3.4
87.04546	1.3
88.98835	2.1
89.02459	19.3
93.03490	1.5
95.01423	2.2
96.96024	11.6
97.02970	1.8
99.00888	2.3
99.04561	2.2
101.02449	16.9
101.06076	1.4
103.04023	71.2
104.04401	1.2
104.54047	1.1
107.05029	1.5
109.02985	1.6
109.06610	1.3
111.00897	2.2
111.04538	1.2
113.02457	7.8
116.92898	1.8
117.05617	1.7
119.03529	7.1
119.05006	1.6
120.05825	2.5
120.99661	1.4
123.00917	1.8
123.04541	1.7
123.23130	1.0
124.01669	1.8
125.02435	9.9
133.57776	1.1
135.08221	2.3
135.11839	7.1
137.02472	1.6
139.04022	3.6
143.03464	2.4
143.08705	2.2
145.05066	2.1
146.07513	1.2
147.08267	1.3
147.11882	1.2
151.00328	1.3
151.03973	1.5
157.05092	10.8
159.11829	2.0
161.02466	1.4
161.04639	2.1
161.09727	22.0
165.01971	1.8
165.05560	1.6
165.33485	1.0
166.02594	1.4
169.01413	6.6
175.11314	2.1
177.12863	5.2
179.05699	2.2
179.10783	39.0
180.11189	2.0
181.01451	2.6
181.04967	1.8
189.12802	1.4
190.71347	1.1
193.01476	2.8
193.12195	2.7
195.06622	1.8
203.10791	3.7
205.08708	3.0
210.33260	1.2
211.09822	2.5
221.11928	7.8
223.06134	1.1
223.09769	2.5
229.01543	1.5
230.46284	1.2
247.08179	16.3
265.09277	31.7
275.01974	3.0
289.07220	1.5
300.99957	11.3
302.00327	1.2
409.18658	9.0
427.19736	69.4
428.19931	6.0
453.17682	29.8
454.18152	3.2
471.18744	100.0
471.31216	5.1
472.19193	10.2
481.70273	1.3
513.19910	6.0
529.49207	1.2
543.21173	2.1
571.24622	1.9
573.21936	13.4
633.07391	2.8
633.24182	47.5
633.34161	3.7
634.24384	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	633.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.8
58.00586	1.7
59.01091	3.2
59.01381	46.1
61.98835	5.7
69.39641	4.6
69.40067	10.6
69.40386	1.6
71.01383	51.3
72.86914	1.5
72.99300	3.6
73.02950	5.5
74.97173	1.5
75.00858	1.9
77.56996	1.5
78.42027	1.5
83.01397	6.6
85.02947	36.7
87.00900	2.2
89.02435	18.4
95.01390	2.7
95.04967	2.6
96.96015	14.1
96.96944	2.7
97.02964	4.5
101.02451	14.9
103.04014	73.8
107.04948	2.2
109.02927	2.3
111.00852	3.4
113.02470	10.3
117.05620	2.1
119.03535	8.3
120.99634	2.3
123.00884	2.2
125.02452	12.2
131.03499	1.7
133.10245	2.5
135.11760	8.1
136.99062	1.8
137.02377	3.4
139.00351	1.4
139.04018	3.5
144.77654	1.7
150.03189	2.1
151.00336	2.7
151.03917	2.1
154.42807	1.8
157.05084	7.4
159.08160	2.2
159.11789	3.2
161.09734	20.6
165.01843	2.5
165.05617	2.6
169.01430	7.1
175.11317	2.6
177.12862	3.4
179.10771	36.9
180.11191	2.2
189.05426	1.7
193.12352	2.5
195.06619	3.2
203.10823	2.9
205.08743	2.1
211.09712	1.9
221.11813	7.4
223.09743	3.2
247.08115	13.2
265.09241	38.6
275.01794	2.3
289.07205	3.6
300.99838	13.0
318.97464	1.8
325.19730	1.8
409.18433	8.4
427.19708	67.4
428.19986	8.5
453.17606	27.1
454.18069	2.7
471.18701	100.0
471.31140	6.2
472.18811	12.6
513.19684	7.3
573.21954	17.6
574.22351	2.1
633.07306	3.0
633.24091	51.2
633.33215	3.3
634.24176	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	633.0737
Annotation	Corilagin
Peak:m/z	Relative Intensity
51.17319	0.3
54.06839	0.3
59.01370	0.3
71.01378	0.3
95.01414	0.8
107.01374	0.7
108.00337	0.3
111.29330	0.3
112.02979	0.3
119.05056	0.3
120.85727	0.3
123.00864	2.2
124.01605	0.3
125.02447	4.1
125.03302	0.4
129.03494	0.4
131.04945	0.3
133.02985	0.5
141.03543	0.3
145.02960	1.3
147.04530	0.9
151.00381	0.4
157.02960	0.7
159.04518	0.8
161.02487	0.4
163.00314	0.3
163.03979	0.6
166.99866	0.3
169.01411	3.6
173.02457	2.1
175.04021	1.2
177.01993	0.6
185.02444	3.1
187.03990	0.4
189.01979	0.6
190.02725	0.5
191.03519	0.9
193.01367	0.4
198.53157	0.3
199.00342	0.4
200.01141	0.3
201.01947	3.7
203.03551	3.5
211.02512	0.5
213.01952	1.0
217.01488	0.9
218.02098	0.3
219.03009	0.7
229.01405	7.7
229.03607	0.6
230.01830	0.8
230.04105	0.4
231.02956	3.0
245.00926	2.2
247.02457	0.8
249.04079	3.4
254.99217	0.3
257.00900	6.2
258.01556	1.7
273.00430	0.8
274.01190	1.2
275.01981	16.2
276.02255	1.0
283.99634	3.4
299.01978	1.0
299.70313	0.3
299.99176	3.3
300.02203	0.5
300.99890	100.0
302.00220	5.8
328.47546	0.3
329.02994	0.4
331.06610	0.6
385.82825	0.3
421.04074	0.5
443.68518	0.3
463.05176	2.6
481.06070	2.0
615.05847	0.3
633.07312	42.6
634.07672	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	633.0734
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
56.37467	0.5
60.06115	0.6
69.51829	3.7
74.46062	0.6
78.27113	0.6
80.91160	0.5
81.98707	0.5
85.14271	0.5
95.01403	1.3
123.00899	1.9
124.52217	0.6
125.02480	3.3
145.02968	1.1
147.04604	0.6
159.04567	1.1
169.01443	2.4
173.02469	1.5
175.04059	1.4
177.01842	0.7
185.02452	3.0
189.01855	0.7
190.02698	0.6
201.01924	2.3
203.03514	2.2
212.93886	0.6
213.02017	0.5
217.01398	0.7
219.03014	0.6
229.01393	6.7
231.03053	3.0
242.63675	0.5
245.00932	1.8
247.02473	1.0
249.04048	3.1
252.66432	0.5
257.00964	5.1
258.01642	1.1
273.00403	1.2
274.01230	0.7
275.01993	11.8
276.02347	0.8
283.99725	2.9
299.99005	2.7
300.99902	100.0
302.00226	6.6
331.06656	0.7
446.43646	0.6
463.05090	3.3
604.26672	0.6
633.07361	52.8
634.07556	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	632.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.46449	0.5
59.01379	1.6
60.03422	0.5
61.98833	20.7
64.30882	0.5
65.00345	0.6
67.01901	1.2
69.03445	0.6
69.33504	5.0
71.01383	2.1
73.02964	0.6
79.01886	0.9
80.57491	0.5
83.01382	0.5
85.02958	0.7
89.02471	0.5
91.18890	0.5
95.01388	1.6
96.96025	1.0
97.02985	0.9
99.00878	0.9
100.34906	0.5
101.02441	0.9
104.29645	0.5
107.01405	3.9
109.02953	0.8
111.00914	2.6
113.02451	0.6
116.92808	0.6
118.64994	0.5
121.02972	3.2
123.00893	11.4
123.04562	1.0
124.01675	1.1
125.02457	17.2
127.00343	0.7
135.04509	0.8
136.98808	2.0
137.02448	1.1
139.00380	5.3
139.04036	1.1
140.01196	3.6
141.01935	2.1
151.00377	9.5
151.03995	0.9
153.01920	0.8
153.05623	0.6
162.03049	0.5
163.04042	1.2
166.06363	12.1
167.03406	0.6
167.07030	1.2
168.00635	6.7
169.01436	22.0
170.01828	1.2
179.03558	0.5
181.05080	1.3
181.08701	4.3
183.03003	2.7
193.05048	0.7
201.02054	0.7
211.02498	3.3
211.06113	0.5
223.02354	0.8
225.04106	2.6
249.04004	1.2
252.55348	0.7
257.00995	0.9
271.04651	2.1
273.14432	0.5
275.02042	2.0
285.06171	0.9
299.99234	0.5
300.99881	11.6
313.05679	1.9
313.89450	0.6
317.03046	1.1
318.03448	1.3
320.96625	0.7
331.06686	0.7
387.09332	2.3
471.15201	0.6
569.18756	100.0
570.19135	14.9
614.04962	0.7
633.07135	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	631.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72355	0.3
55.01873	0.7
57.03436	1.6
59.01390	4.3
59.99441	0.3
61.98839	5.1
65.00320	0.7
67.01887	0.9
67.61133	0.3
69.03465	0.5
69.39224	1.7
69.39651	1.2
71.01394	4.0
71.05013	0.4
72.99302	0.9
73.02943	1.3
79.01906	1.0
83.01397	1.7
85.02960	2.4
87.00880	0.9
88.98817	0.5
89.02461	1.8
95.01405	2.6
96.96040	2.6
97.02966	1.2
97.06625	0.4
98.19786	0.7
99.00896	0.6
101.02458	2.9
101.06097	0.5
107.01403	5.1
109.02956	0.9
110.00059	0.5
111.00907	3.0
113.02448	1.4
116.92892	0.4
117.92087	0.3
119.03536	0.5
121.02965	0.5
123.00895	15.5
123.04551	0.7
124.01661	1.5
125.02459	25.9
126.02798	0.8
127.00352	0.7
131.34406	0.3
135.04527	0.9
135.08144	1.3
136.98805	1.6
137.02415	1.1
137.06090	0.4
137.09785	0.4
139.00395	5.7
139.04021	2.2
139.07649	0.4
140.01184	3.4
141.02003	1.8
145.02948	1.3
149.02475	0.7
150.03152	0.5
151.00381	11.6
151.04033	1.9
152.01079	1.2
153.02002	1.7
153.90034	0.3
154.99796	0.4
161.02386	0.7
161.04556	0.5
161.73708	0.3
163.04002	1.1
165.01924	0.5
165.05611	0.5
168.00639	3.5
169.01440	22.9
170.01704	0.9
175.03931	0.7
178.99892	1.1
179.03458	0.9
185.11856	0.6
191.03436	0.6
193.05109	0.5
201.11400	0.7
209.11826	1.0
211.02390	1.6
217.05029	1.0
217.37526	0.4
243.03020	0.5
255.03067	0.8
257.04501	0.9
259.06079	1.3
271.02444	1.5
271.04883	0.7
272.02808	0.9
273.03040	0.8
275.05618	0.5
285.03955	2.4
299.99475	0.5
300.02701	1.5
300.99966	0.4
301.03165	1.7
302.03439	1.2
303.05139	1.8
313.05646	1.2
391.63028	0.4
465.09995	0.4
477.30356	0.5
568.24664	1.8
569.26172	2.1
587.21204	0.4
587.34167	0.4
603.20764	1.0
613.19751	0.7
631.20526	7.6
631.33337	100.0
632.21002	1.6
632.33594	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	631.3644
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
53.56216	0.5
53.84401	0.5
61.98837	1.2
71.59797	0.5
88.98833	1.2
93.86705	0.5
117.03476	24.6
118.03720	0.9
119.05046	4.6
121.02967	0.6
125.02410	0.6
145.02968	100.0
146.03287	3.0
153.05571	0.6
163.04059	3.0
299.62320	0.6
301.00098	0.8
453.30222	0.9
631.36414	69.0
632.36749	10.2
642.61328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01385	7.3
61.98829	9.1
63.57448	0.6
64.41202	0.5
67.01891	1.0
69.03442	0.9
70.24068	1.5
71.01389	6.9
72.99308	1.0
73.02943	1.5
76.72450	0.6
79.01890	1.1
83.01388	1.8
85.02962	2.6
87.00871	1.5
88.98798	1.2
89.02435	2.3
95.01368	2.6
96.96002	1.7
97.02951	1.3
99.00882	0.6
101.02453	4.4
107.01413	5.4
109.02943	0.6
111.00877	2.1
113.02450	2.2
119.03496	1.3
119.47931	0.6
120.05793	1.1
121.02934	0.6
123.00892	17.4
124.01719	0.5
125.02460	18.1
126.02751	1.1
127.00336	0.7
130.06281	0.7
135.04503	1.3
135.08243	3.7
136.98819	1.5
137.02454	1.3
139.00391	5.0
139.03958	1.2
140.01161	3.1
141.01900	2.1
149.02536	0.6
151.00380	12.4
151.03995	1.8
152.00877	0.6
153.01917	1.0
161.04485	0.7
168.00644	2.4
169.01437	21.7
170.01816	1.3
177.01912	1.1
179.03473	1.1
179.07251	0.6
185.11833	2.2
186.12425	1.1
201.11305	1.1
209.04547	0.8
209.11751	2.6
211.02434	2.1
211.13351	0.7
254.39973	0.7
259.06067	0.5
271.02225	0.8
271.04730	1.0
285.03928	0.7
291.79700	0.6
300.02802	1.0
301.03329	0.9
303.05029	1.6
313.05536	1.3
425.29062	0.6
426.10449	0.6
477.30484	3.1
528.85150	0.6
566.33075	8.2
568.25409	2.6
569.26093	4.4
587.34247	1.7
631.33197	100.0
632.33643	14.6
637.59967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
57.03452	0.6
59.01390	5.0
61.98841	5.9
67.01882	1.3
68.99818	0.5
69.03458	0.5
70.93286	0.5
71.01395	4.6
72.99297	0.7
73.02936	1.3
79.01880	1.0
83.01383	1.1
84.56462	0.5
85.02971	2.4
87.00877	1.0
88.98833	0.8
89.02437	1.8
95.01401	3.0
96.96004	2.1
97.02982	0.7
99.00906	1.0
101.02455	2.9
107.01403	5.1
108.01678	0.6
111.00878	2.2
113.02431	1.9
119.03464	0.9
123.00899	16.7
123.04436	0.5
124.01707	0.8
125.02459	19.2
126.02785	1.0
127.00370	0.8
133.02982	0.6
135.04536	1.0
135.08156	1.9
136.98830	1.7
137.02415	1.0
137.06064	0.8
139.00374	4.8
139.04015	0.8
140.01173	4.0
141.01950	3.2
151.00388	10.9
151.03970	1.2
152.00583	0.6
153.01898	1.0
161.02448	1.0
161.04572	0.6
163.03966	0.6
168.00639	2.8
169.01443	22.9
170.01805	1.1
179.03438	1.4
185.11815	2.0
201.11382	0.8
209.11780	2.1
211.02448	1.7
221.36626	0.5
228.22119	0.5
229.21442	0.6
271.04572	1.7
285.04169	0.9
294.99911	0.5
300.99753	0.6
303.04999	1.6
313.05737	1.9
314.05606	0.5
315.25327	0.5
346.96634	0.5
477.30469	2.0
566.32855	4.6
568.25433	2.4
569.26196	2.6
631.33295	100.0
632.33612	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	631.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
59.37307	0.7
60.99309	3.3
61.98839	4.2
62.56109	0.7
63.39862	0.7
69.39505	5.4
69.39921	1.0
71.01394	0.9
81.88552	0.7
85.29382	0.8
88.98817	18.2
89.02470	0.8
93.03454	3.4
95.01366	1.2
96.96052	3.4
96.96609	0.6
98.19920	1.4
98.35535	0.7
101.02395	0.9
107.01373	1.1
109.02930	1.4
115.60316	0.7
116.92837	0.8
121.02968	4.6
122.03757	11.9
123.00099	0.7
123.00912	3.4
124.01696	2.4
125.02468	4.9
132.13239	0.7
133.02960	1.4
134.03624	0.9
135.04526	1.7
136.01671	1.5
137.02490	7.1
137.52689	0.7
138.03180	1.4
139.04036	2.4
147.04514	2.7
149.01259	1.2
149.02458	17.2
150.03242	76.4
151.00372	15.4
151.03897	3.7
153.05579	1.0
157.89055	0.8
160.05289	1.4
161.02443	3.0
163.04097	1.1
164.01111	0.8
164.04843	2.3
165.01952	28.6
165.05586	76.9
166.02731	35.1
166.05913	3.1
167.03365	1.0
169.01390	4.6
175.04022	10.2
175.07674	2.0
176.04764	0.9
178.06345	0.8
179.03513	4.2
180.04312	18.1
181.05084	100.0
182.05421	2.5
188.04892	0.8
189.05551	1.5
190.06351	8.2
193.05072	4.0
194.05846	1.8
195.06639	73.2
196.07010	3.2
205.08707	13.8
208.07463	3.3
209.08180	1.9
210.05399	3.0
211.02469	2.4
223.09787	11.7
224.10242	1.0
225.05602	0.6
225.07677	18.0
226.08058	0.9
267.04178	0.8
271.04663	2.5
272.93430	0.9
282.05289	1.0
297.04147	2.2
297.07806	0.9
300.99951	2.2
312.06421	2.6
312.09760	1.7
327.08820	5.5
327.12457	2.7
342.11099	7.1
345.13745	0.8
357.13422	12.0
358.13727	1.2
359.11377	1.4
375.14496	6.2
376.14905	0.8
405.15518	9.0
417.15656	2.1
435.16428	0.9
541.22894	21.3
542.23315	2.5
549.92780	0.8
553.21094	2.9
568.24756	1.1
601.22913	1.2
626.14032	0.8
631.24109	3.9
632.23206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51031	1.0
59.01361	2.5
61.78416	1.0
61.98822	3.2
67.80421	0.8
71.01382	1.4
71.60938	1.2
88.98792	1.7
93.03447	2.6
95.01398	1.1
96.96021	3.9
107.01367	1.2
109.02942	0.9
121.02979	4.3
122.03756	9.6
123.00861	3.0
123.04570	1.7
124.01698	1.4
125.02483	8.0
126.30109	0.8
133.02933	1.0
135.04562	3.4
136.01663	2.4
137.02489	5.5
138.03218	1.0
139.00371	1.1
139.04004	2.1
145.02950	1.5
147.04536	3.1
149.02446	15.2
150.03238	59.3
151.00381	14.9
151.03914	3.6
152.01064	1.4
153.01912	1.1
153.05554	1.2
154.98749	0.9
158.03802	0.9
159.04472	2.0
160.05281	4.3
161.02451	2.0
161.05959	0.9
162.03242	0.8
163.04047	1.8
164.04773	3.9
165.00531	1.0
165.01936	24.4
165.05585	56.6
166.02725	37.2
166.05835	1.7
167.03374	1.6
169.01399	7.3
173.02444	1.1
173.06038	0.9
174.03253	2.7
175.04015	15.9
175.07602	3.2
176.04733	1.8
177.05643	1.6
178.06404	1.7
179.03459	4.6
179.07230	1.2
180.02870	1.5
180.04295	16.6
181.05078	100.0
182.05400	3.0
188.04797	2.4
189.05507	2.9
190.06357	16.9
191.07051	3.0
193.05009	5.4
193.08667	1.7
194.05757	3.1
195.06630	52.3
196.06866	2.3
203.07294	1.4
205.08707	17.2
207.06557	1.9
208.07419	5.3
209.08180	2.9
210.05377	2.8
223.09769	10.1
225.07672	12.6
228.81880	1.0
256.03949	1.1
271.04849	1.2
282.05322	2.4
286.93509	0.9
289.07172	1.5
297.04089	2.1
297.07788	2.7
300.99817	3.7
312.06409	2.0
312.09967	2.0
315.08731	2.5
327.08649	5.0
327.12393	2.9
329.06836	1.1
329.10349	7.1
329.86649	1.0
342.11142	8.3
343.11725	1.1
345.09882	1.1
357.13480	11.1
358.13831	1.5
359.11343	2.3
375.14453	8.6
377.12476	1.6
387.14673	1.6
402.43082	1.0
405.15591	12.0
417.15585	2.7
435.16528	2.6
465.06537	1.4
467.07675	2.6
499.81302	1.1
553.20758	25.2
553.33984	1.2
554.20947	2.9
568.24249	1.7
583.21222	2.2
601.22931	2.5
631.24756	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	631.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
65.00309	1.2
65.29137	0.7
67.41157	0.8
67.90961	0.8
71.01389	2.4
71.60223	1.0
83.01377	1.1
95.01412	2.3
96.96015	2.8
97.02970	1.4
101.02457	1.3
107.01413	3.2
108.02178	0.8
109.02964	4.6
110.00108	8.1
111.00915	6.0
121.02979	1.5
123.00908	5.9
123.04518	2.2
124.98792	1.1
125.02460	19.7
133.02988	1.4
136.98849	1.7
137.02443	2.3
137.99617	3.9
139.00375	16.0
139.04036	2.2
145.02924	1.3
147.04509	1.0
149.02440	3.3
151.00348	3.5
151.03972	1.9
152.01120	1.4
161.02443	2.0
161.06209	1.1
163.00282	1.1
163.04095	1.1
164.01208	0.9
164.98332	1.0
165.01942	2.0
165.05576	1.9
165.99088	13.0
166.99858	9.1
167.94119	0.9
168.00615	0.9
169.01436	17.9
170.01726	1.6
171.04555	1.2
173.02373	1.7
174.03244	1.1
175.03960	2.3
177.01776	1.0
178.99893	6.4
179.03577	1.5
180.00555	0.8
185.02417	1.3
187.04036	1.3
189.01985	1.3
190.02600	0.9
191.03506	1.3
194.99315	3.1
198.03162	1.2
199.03990	2.6
201.01828	1.0
201.60982	0.9
203.03490	2.9
203.07112	1.5
205.05209	0.9
206.99358	1.7
208.00174	1.5
209.04521	1.2
211.02345	1.1
215.03499	1.4
217.01389	1.3
224.16891	0.8
227.03421	4.5
229.01500	1.3
231.02986	3.4
242.02245	2.0
243.02989	5.9
244.03592	1.0
245.01003	1.4
245.04495	1.4
245.08206	3.2
249.03983	1.9
255.02986	2.3
257.00952	1.1
259.02411	2.9
260.03284	1.4
270.01736	6.0
271.02457	24.3
272.03104	2.8
273.03741	0.9
275.02039	2.7
282.59171	1.0
287.01993	24.1
288.02664	3.1
289.04120	0.8
289.07224	15.9
297.03592	1.0
298.98770	1.2
299.01978	6.0
300.99857	9.2
302.00171	1.1
313.05585	2.3
315.02133	1.0
316.02252	71.3
317.02988	29.9
318.03522	1.8
327.08749	3.1
343.06747	1.1
479.08347	33.1
480.08844	3.2
496.09195	0.9
613.04742	3.7
631.09473	100.0
631.18945	4.0
632.09900	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	631.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74028	0.6
52.11889	0.5
57.02291	0.6
59.01375	1.2
63.02409	0.6
65.00317	1.3
71.01368	0.7
71.60438	0.9
79.95735	0.7
83.01375	1.6
96.96011	1.8
101.02469	0.7
107.01402	3.6
109.02962	1.9
113.02401	1.1
123.00871	2.4
123.04488	0.9
124.01675	2.3
125.02457	9.5
135.00887	1.1
136.99048	0.7
137.02449	4.2
139.00342	0.7
139.03944	0.6
140.01175	0.9
145.02939	0.7
145.06671	0.6
151.00400	9.2
151.04028	1.0
152.01091	1.1
161.02444	1.5
163.00285	0.9
164.01157	2.0
165.01927	1.4
165.09258	1.5
167.03583	0.7
169.01440	10.8
177.01976	0.9
178.99876	8.6
180.04294	0.7
190.99849	1.2
192.00618	1.0
193.01408	1.1
201.01994	0.9
203.03601	0.7
204.04289	1.0
205.05136	1.0
214.02728	5.1
215.03381	1.7
227.03560	1.4
229.01447	1.0
231.03099	1.0
242.02229	5.6
243.02998	3.5
245.04884	3.0
245.08194	1.0
259.02423	5.4
260.02805	0.7
270.01767	6.7
271.02460	36.2
272.02930	1.8
275.01981	0.9
287.01993	19.6
288.02588	2.4
289.07147	6.3
298.98734	1.1
299.01813	4.5
299.99066	0.7
300.99887	2.6
302.00385	0.9
313.05688	1.9
315.01617	1.1
316.02243	100.0
317.02908	18.4
318.03369	0.9
327.08820	1.5
445.04422	0.7
479.08356	38.8
480.08362	2.9
613.04718	2.0
631.09436	80.8
632.09839	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	629.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50343	0.4
52.01881	0.4
55.01881	0.7
55.08773	0.4
59.01391	3.5
59.80799	0.4
61.98835	3.9
65.00333	0.6
67.01883	0.9
71.01392	3.4
72.99289	0.8
73.02937	1.3
79.01894	0.8
83.01383	1.1
85.02956	1.4
87.00896	0.6
89.02437	1.4
95.01380	1.9
96.96005	1.2
97.02960	1.0
99.00903	0.5
101.02440	1.9
107.01395	4.7
111.00874	2.1
113.02449	1.5
123.00901	15.4
124.01655	0.6
125.01531	0.8
125.02456	15.6
127.00352	0.9
135.04541	2.5
136.52550	0.4
136.98776	1.2
137.02448	0.5
137.06119	0.7
139.00392	5.1
140.01151	4.0
141.02003	2.1
151.00383	9.6
151.07666	1.0
153.01958	0.6
165.05522	0.7
168.00641	3.4
169.01437	20.9
179.03490	1.6
180.03943	0.5
203.56715	0.5
209.11853	0.5
211.02438	1.0
271.04639	1.3
305.08417	0.5
313.05560	1.3
467.34192	0.5
469.24500	0.5
499.18469	0.7
549.19415	0.5
566.23071	0.6
567.24744	6.1
629.31726	100.0
630.32062	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	630.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39941	0.6
57.03441	2.0
58.60165	0.7
59.01380	3.7
61.98838	24.3
65.00330	1.7
71.01393	4.1
71.60667	1.0
72.99337	0.7
73.02961	0.7
75.00875	2.3
82.34008	0.6
83.01374	2.2
85.02960	1.8
87.00862	0.8
88.98806	1.3
89.02464	1.4
94.05457	0.7
95.01396	1.2
95.04984	0.7
96.52509	0.7
96.96008	6.1
96.96969	1.0
97.02953	0.8
101.02446	2.2
107.01404	5.9
109.02957	1.7
111.00886	2.2
113.02438	0.8
121.02974	0.7
123.00891	8.1
123.04530	1.7
123.66908	0.8
124.01687	1.4
125.02457	37.9
126.02805	0.8
127.00401	1.7
129.01923	1.0
135.04558	1.7
136.98846	2.1
137.02467	1.9
139.00369	3.0
139.04045	3.4
140.01169	3.2
141.01935	1.1
149.02437	2.6
150.03259	0.8
151.00388	11.2
152.01094	0.7
153.01964	7.1
157.16672	0.7
159.02927	1.6
161.02484	2.2
165.05586	1.2
167.03484	0.9
168.00630	6.9
169.01440	35.4
170.01785	1.3
175.00407	0.8
175.04004	2.4
177.01918	3.6
177.04044	11.3
178.99881	2.5
179.03465	1.6
181.01419	1.2
181.05099	1.1
189.01907	0.9
190.02802	1.0
191.03487	1.0
193.01511	0.8
195.06599	1.1
209.11787	0.7
210.04977	0.7
211.02437	3.8
217.05183	1.4
219.02986	1.3
219.42268	0.7
219.84293	0.7
241.05222	1.2
243.07079	0.7
271.04562	4.0
275.05615	3.9
285.04037	13.1
297.06161	2.4
299.05591	1.1
299.99036	2.2
300.99686	3.3
303.05090	20.1
313.05585	1.3
329.05136	3.1
351.00943	0.8
381.22427	0.8
391.03580	0.7
481.17053	0.7
507.14850	1.4
567.24487	100.0
568.24957	12.4
613.19397	1.4
630.31903	2.6
631.20209	8.0
631.32318	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	629.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32334	0.4
55.01880	0.4
59.01380	3.6
61.98832	4.1
65.00297	0.8
67.01883	0.9
69.03451	0.6
71.01386	4.5
72.99297	1.0
73.02943	1.0
75.00304	0.4
79.01885	1.5
83.01376	1.5
85.02937	1.7
87.00874	1.2
88.98740	0.5
89.02433	1.3
95.01404	2.8
96.96008	3.0
97.02964	0.6
98.19926	1.1
99.00896	0.5
101.02448	2.2
107.01402	5.6
111.00871	2.5
113.02430	1.6
114.42538	0.4
119.03547	0.4
123.00892	17.6
124.01660	1.0
125.02455	20.6
127.00365	1.0
135.04524	4.1
135.08150	1.2
136.98813	1.5
139.00389	5.9
140.01186	3.5
141.01962	2.6
147.06973	0.4
151.00380	12.5
151.04013	0.7
151.07555	0.6
153.01994	0.8
153.05562	0.6
163.04025	1.0
165.01880	0.6
165.05533	0.4
168.00645	3.5
169.01434	23.8
170.01622	0.6
172.28441	0.4
173.77725	0.4
179.03503	2.3
193.05046	0.5
201.11267	0.8
209.04538	0.5
209.08115	0.5
209.11847	0.4
211.02434	1.9
269.70886	0.4
271.04541	1.3
287.05646	0.5
313.05533	1.5
435.13129	1.1
475.29257	0.9
566.22870	0.5
567.24268	3.0
629.31720	100.0
630.32129	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	629.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.6
57.03445	1.7
58.00599	1.3
59.01385	7.7
61.98826	2.5
69.03477	1.5
71.01382	7.0
71.60471	0.6
72.99332	0.6
73.02953	2.8
83.01391	1.2
83.05019	1.1
85.02974	2.3
87.00912	1.6
89.02467	5.6
95.05039	1.1
95.95264	0.6
96.96017	0.8
97.06598	4.8
99.00895	0.6
101.02461	7.2
109.06612	1.1
111.00883	0.5
113.02454	2.8
119.03485	1.3
120.80322	0.6
125.02433	1.3
125.09739	2.7
127.11284	1.7
137.09708	1.5
139.04062	0.7
145.05067	0.8
151.11302	15.6
152.11694	0.6
153.12840	0.8
155.10812	0.9
161.04594	2.1
163.11380	0.6
167.10863	0.7
169.12354	85.7
170.12643	3.3
171.10303	6.3
179.05608	0.9
181.08762	1.1
183.10258	1.1
183.13850	1.3
185.11885	1.3
193.12500	0.6
195.10286	2.4
197.11848	45.2
198.12206	1.9
199.09792	20.8
201.11333	16.7
202.11638	1.1
207.10249	1.4
209.11845	18.3
210.12144	0.8
211.13420	15.2
212.13797	0.7
213.09454	1.0
213.11362	13.3
225.11353	0.6
235.08269	4.4
253.09302	10.3
271.18884	0.6
357.20792	0.8
373.62988	0.6
375.21820	2.4
393.22992	0.8
431.19318	2.7
433.20639	1.3
435.18610	4.6
449.14612	0.6
449.20349	9.3
450.20483	1.0
585.30078	0.6
593.29413	2.1
611.30951	1.8
629.31757	100.0
630.32196	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	629.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85046	1.0
59.01394	5.4
60.99300	6.4
61.98845	5.5
64.57790	0.9
69.27126	1.0
69.35165	3.8
69.35595	5.0
71.01390	3.2
72.99319	0.9
85.02946	1.2
87.00906	0.9
88.98814	33.7
89.02444	3.0
90.99299	1.0
95.01412	1.6
96.96017	4.3
97.02892	1.1
101.02422	1.0
107.01404	3.4
109.02998	1.1
111.00927	1.8
111.65916	1.1
112.96427	0.9
119.03493	1.1
119.05040	1.1
120.99628	1.1
123.00890	8.9
124.01688	1.4
125.02454	16.1
135.04515	1.2
136.99028	1.2
139.00374	3.2
140.01178	2.6
141.01967	1.1
144.53938	0.9
145.07132	0.9
149.02516	1.3
151.00351	8.4
151.03937	1.3
161.02452	1.3
162.18333	1.0
165.05562	1.6
168.00644	1.8
169.01431	22.6
177.01898	1.3
187.57948	1.1
211.02483	2.1
255.02847	2.0
271.02420	3.1
271.04861	1.6
275.01920	1.0
283.02484	1.1
299.01843	1.0
300.02722	5.4
300.05649	0.9
300.99966	2.2
301.03268	2.9
313.05621	4.0
463.09167	1.7
465.06757	2.1
477.10419	1.6
539.21332	100.0
540.21747	10.9
566.12384	2.9
566.22906	1.8
567.12292	1.5
629.11218	8.0
629.20435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2251
Annotation	C16540
Peak:m/z	Relative Intensity
57.03441	1.5
59.01376	10.3
60.49016	1.2
61.98837	41.2
67.01900	2.6
69.03465	1.9
69.36874	11.1
71.01388	6.9
78.95913	1.3
80.96521	2.3
83.01395	2.1
85.02937	3.5
87.00916	1.3
88.98814	10.5
89.02451	2.1
93.03497	4.6
95.01406	5.2
96.96008	10.3
98.19788	2.9
101.02456	2.7
105.01947	2.3
109.02962	2.7
111.00912	3.6
112.98857	2.1
113.02488	1.9
116.92899	2.3
119.04965	2.3
121.02979	5.6
122.03757	13.2
123.00889	18.2
123.04559	3.0
124.01654	4.4
125.02470	19.2
126.46264	1.4
133.03003	4.3
134.03746	1.9
135.04543	8.7
136.01703	3.8
136.98877	2.6
137.02458	7.0
137.09798	1.5
138.03267	5.5
139.00386	9.6
139.04048	5.1
140.01166	4.1
141.01979	2.0
145.02991	3.5
147.04561	7.3
149.02455	21.0
149.06021	2.2
150.03241	78.9
151.00381	25.6
151.01537	1.7
151.03963	4.8
153.01958	7.2
153.05646	5.0
155.03404	1.5
159.04558	4.0
161.02441	11.0
162.03226	1.7
163.04077	4.0
164.04880	5.2
165.01949	3.4
165.05586	70.9
166.02736	45.9
166.05951	2.3
167.03346	1.6
168.00667	2.7
168.04411	1.7
169.01439	15.6
173.02400	1.8
174.03258	2.4
175.03941	7.2
176.01270	1.6
176.04732	1.4
177.02017	5.0
177.05624	4.8
178.02777	3.3
179.03531	9.0
179.07198	1.3
180.04251	9.4
181.01532	2.2
181.05089	77.3
182.05458	2.9
183.10323	4.1
188.01178	1.8
190.02719	3.0
191.03526	12.1
192.04346	8.8
193.05052	7.2
195.06653	26.7
203.01611	2.1
203.03514	33.7
203.05255	2.8
204.04112	3.2
205.05174	2.7
207.06631	8.6
209.11890	1.6
211.02524	2.3
211.06145	2.5
217.05127	3.3
218.05853	26.7
219.06577	4.2
220.35324	1.6
221.04601	7.8
233.08179	45.7
235.06213	4.9
236.06914	22.8
249.07735	3.0
251.09265	82.5
252.09711	5.4
257.00790	1.6
271.09787	2.3
285.03998	1.8
285.07266	1.5
299.99185	24.3
300.02591	2.2
300.99966	13.4
301.03479	2.7
329.10266	1.7
357.09976	2.2
358.10806	4.4
373.13058	8.1
385.13113	3.1
403.14270	4.2
416.11230	1.7
417.11917	2.9
418.13025	3.4
431.13824	5.8
432.14227	7.4
433.15079	32.8
434.15073	1.8
441.04294	2.3
467.23297	1.9
477.14285	2.4
485.14862	1.6
548.18555	1.5
549.23749	2.5
566.23578	3.1
567.24548	32.5
581.20447	13.2
582.20941	1.8
611.21808	2.3
629.22778	100.0
629.31958	15.0
630.23108	11.3
630.31213	2.3
646.34967	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	629.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85046	1.0
59.01394	5.4
60.99300	6.4
61.98845	5.5
64.57790	0.9
69.27126	1.0
69.35165	3.8
69.35595	5.0
71.01390	3.2
72.99319	0.9
85.02946	1.2
87.00906	0.9
88.98814	33.7
89.02444	3.0
90.99299	1.0
95.01412	1.6
96.96017	4.3
97.02892	1.1
101.02422	1.0
107.01404	3.4
109.02998	1.1
111.00927	1.8
111.65916	1.1
112.96427	0.9
119.03493	1.1
119.05040	1.1
120.99628	1.1
123.00890	8.9
124.01688	1.4
125.02454	16.1
135.04515	1.2
136.99028	1.2
139.00374	3.2
140.01178	2.6
141.01967	1.1
144.53938	0.9
145.07132	0.9
149.02516	1.3
151.00351	8.4
151.03937	1.3
161.02452	1.3
162.18333	1.0
165.05562	1.6
168.00644	1.8
169.01431	22.6
177.01898	1.3
187.57948	1.1
211.02483	2.1
255.02847	2.0
271.02420	3.1
271.04861	1.6
275.01920	1.0
283.02484	1.1
299.01843	1.0
300.02722	5.4
300.05649	0.9
300.99966	2.2
301.03268	2.9
313.05621	4.0
463.09167	1.7
465.06757	2.1
477.10419	1.6
539.21332	100.0
540.21747	10.9
566.12384	2.9
566.22906	1.8
567.12292	1.5
629.11218	8.0
629.20435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94377	1.8
57.03433	2.3
57.76374	1.6
59.01091	3.5
59.01384	47.4
63.29249	1.8
71.01395	13.3
87.00905	1.5
87.68194	1.6
89.02445	12.5
92.84386	1.6
95.01402	2.6
96.96026	2.3
100.36347	1.6
101.02453	5.5
108.02176	3.1
109.02965	7.6
113.02468	3.1
119.03529	5.7
121.02972	2.7
123.00883	3.0
125.02458	31.3
127.64037	1.8
137.02493	8.6
139.04030	6.2
143.07179	7.7
148.00127	1.5
152.01137	2.9
153.01851	2.1
165.01935	6.5
167.03481	6.6
169.01453	4.1
177.01942	3.1
177.05562	2.7
179.03537	3.5
181.05095	2.1
203.03523	3.0
219.06537	4.4
221.04553	2.2
242.66608	1.6
247.39284	1.8
249.03976	2.9
257.00916	2.1
258.01471	2.2
261.00739	2.7
275.02008	3.4
285.06207	3.1
300.99799	9.0
302.00333	2.3
305.06683	36.0
306.06885	3.4
323.13495	100.0
324.13721	4.9
475.02411	1.7
475.53317	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	629.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.4
59.01381	2.5
61.14268	0.4
61.98838	5.4
65.00311	1.6
65.09553	0.4
71.01392	1.9
73.02922	0.7
83.01380	1.5
83.05026	0.5
85.02946	0.5
87.00903	0.4
88.98854	0.6
89.02439	1.0
95.01349	0.8
96.95982	1.4
97.07850	0.4
101.02438	1.2
107.01393	3.6
108.02156	1.9
109.02920	1.1
111.00858	0.9
113.02450	0.9
119.01379	0.4
121.02926	1.4
123.00894	3.9
123.08144	0.5
124.01656	0.6
125.02445	6.0
125.09696	1.0
127.11298	0.5
135.00847	0.8
135.04553	2.9
136.05278	0.6
139.00330	1.5
139.04002	0.5
140.01161	1.2
141.01929	0.5
148.01633	1.0
149.02454	0.6
150.99162	0.6
151.00380	12.8
151.07625	0.6
152.00787	0.4
153.01982	0.6
153.05548	0.5
161.02412	0.4
163.00357	2.3
163.03928	0.7
163.11278	0.5
164.01097	0.9
165.01843	0.4
165.05467	0.6
165.09210	1.0
168.00624	1.2
169.01413	7.0
171.10249	1.5
174.03181	0.7
178.99883	4.1
179.03500	3.2
181.12062	0.4
183.04565	0.7
190.99864	0.4
192.00652	0.4
193.01363	0.7
198.03258	0.4
199.03923	1.0
200.04474	0.4
201.09523	0.8
201.11331	12.9
201.13184	0.7
203.03484	0.7
209.11858	11.7
211.02380	0.6
211.04121	0.9
215.03459	1.0
216.04240	0.9
221.11801	1.3
226.02734	3.1
227.03546	4.0
228.04243	0.6
235.08315	0.6
239.12856	0.5
243.02980	15.6
244.03543	1.0
245.04623	0.9
253.09355	2.5
254.02248	3.8
255.02977	27.7
256.03345	2.0
271.02472	73.3
272.02908	5.5
273.03964	0.8
283.02457	1.2
299.01947	1.8
300.02756	100.0
301.03494	32.4
302.03851	1.6
313.05716	0.5
343.04282	0.8
375.21854	1.2
375.27261	0.9
377.52930	0.4
393.23001	0.6
411.92926	0.5
433.15372	0.5
437.19958	0.4
445.07932	0.8
463.08850	13.0
463.15445	0.7
464.09183	1.3
467.33578	1.9
566.23834	0.9
567.10773	0.7
567.24622	6.6
611.30981	1.8
629.18890	84.0
629.31689	20.8
630.19159	10.3
630.30768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13057	0.3
55.95255	0.3
58.24300	0.3
59.01403	1.1
61.98844	2.9
65.58973	0.3
69.47487	1.6
69.47899	0.8
71.01411	0.7
72.99327	0.5
80.96619	0.3
83.01450	0.3
85.03000	0.3
88.98863	1.1
89.02477	0.3
96.96040	1.3
101.02498	0.4
104.84232	0.3
105.01963	0.4
107.01452	0.3
108.02242	0.4
111.00910	0.3
115.18824	0.3
119.05083	0.5
121.03004	0.5
122.03783	0.6
123.00932	0.7
124.01686	0.4
125.02470	2.4
135.04572	1.2
137.02452	0.7
139.00443	0.9
139.04054	0.4
145.02945	0.4
148.01637	0.5
149.02449	0.7
150.03232	2.6
151.00391	1.2
160.01721	1.1
161.02464	1.4
165.01906	0.5
165.05545	2.5
166.02693	0.4
168.00636	0.4
169.01463	1.5
172.01665	1.6
173.02531	0.4
174.33035	0.3
176.01135	0.5
179.03552	0.6
180.04295	0.6
181.05118	1.0
185.02448	0.7
188.01169	0.8
191.03336	0.3
193.30733	0.3
195.06708	0.9
200.01117	2.2
201.01852	0.6
203.03598	0.4
209.11919	0.4
213.01909	0.4
216.00638	2.6
217.01117	0.4
218.05775	0.5
226.99940	0.7
228.00632	1.1
229.01384	0.8
242.99258	1.5
243.03047	0.8
244.00179	3.3
245.00548	0.4
251.09357	0.5
255.02974	0.7
257.00864	0.9
268.34161	0.3
270.98950	1.0
271.02472	1.7
271.99725	1.5
282.98889	1.1
283.99615	1.1
287.05621	0.5
287.86115	0.3
298.98325	1.2
299.99130	100.0
300.99854	40.5
302.00220	2.2
373.12894	0.5
392.64697	0.3
416.36523	0.3
433.15381	1.5
445.04144	0.7
467.22595	1.0
566.23260	0.9
567.24365	1.8
581.20209	0.8
629.14972	61.1
630.15350	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	629.1882
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
55.53703	0.5
59.01361	1.6
61.98835	3.1
62.98548	0.4
65.00318	1.4
67.01914	0.6
71.01373	1.6
80.08109	0.5
83.01379	0.6
85.02937	0.6
89.02418	0.8
96.95991	1.1
101.02434	1.6
107.01405	4.3
108.02148	1.6
108.37714	0.4
109.02953	1.6
111.00857	1.3
121.02950	1.4
123.00898	4.3
124.01705	0.8
125.02468	5.0
135.00844	1.2
135.04521	1.6
137.02420	0.9
139.00397	1.3
140.01161	0.6
141.01950	0.7
148.01662	0.9
148.44168	0.5
149.02533	0.6
151.00385	11.9
161.02377	0.6
163.00381	1.5
164.01154	0.8
168.00668	1.1
169.01443	6.5
169.82561	0.5
171.10211	0.5
178.99919	3.2
179.03503	1.9
187.03987	0.6
192.00583	1.2
193.01387	0.8
198.03098	0.7
199.03954	1.3
201.11305	3.9
209.11838	4.3
211.04138	1.2
215.03471	1.1
216.04295	1.0
226.02701	2.4
227.03500	3.1
243.02989	12.8
244.03416	1.1
245.04527	1.0
253.09293	0.9
254.02159	3.8
255.02995	28.6
256.03394	2.0
271.02481	71.1
272.02988	5.4
273.04044	0.9
283.02539	1.1
299.01917	1.9
300.02759	100.0
301.03470	33.1
302.04016	2.4
343.04526	0.7
375.27405	1.0
411.35114	0.4
445.07886	0.6
463.08823	11.2
464.09161	1.0
467.33673	1.7
549.19354	0.5
567.24591	8.4
611.31183	0.6
629.18817	81.7
629.31543	16.3
630.19067	11.7
630.32385	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	628.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
59.96498	0.5
61.98841	5.9
71.01369	0.6
71.61568	0.7
88.98821	1.5
107.01407	0.6
108.02180	1.1
125.02411	1.0
135.00923	0.8
148.01666	1.0
149.90427	0.5
151.00381	5.4
152.01007	0.7
162.34018	0.5
163.00389	0.7
164.01227	0.8
169.01398	1.7
178.99878	4.2
188.15561	0.5
199.03937	0.6
207.03470	0.6
216.04271	0.6
226.02774	1.3
227.03477	2.1
243.02933	7.9
254.02151	1.5
255.02994	21.5
256.03357	1.6
271.02466	49.9
272.02902	4.0
276.47144	0.5
282.87119	0.5
299.02194	1.1
300.02753	100.0
301.03278	9.7
449.64209	0.6
479.51041	0.7
538.20142	2.1
539.21503	1.6
565.12000	99.7
566.12384	12.7
627.22565	0.8
628.23688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17895	0.6
59.01376	2.1
60.99311	7.6
69.33181	6.1
71.01386	1.7
85.02926	0.7
88.98808	40.4
101.02417	0.9
107.01397	2.6
111.00869	1.9
113.02443	1.0
123.00881	8.1
125.02438	8.9
133.59058	0.6
136.98830	0.6
138.99376	0.7
139.00394	2.6
140.01137	1.9
151.00363	5.9
155.54660	0.6
167.03381	0.9
168.00653	3.6
169.01437	17.0
211.02466	4.4
236.27502	0.7
246.97029	0.6
271.04666	5.6
300.02759	1.3
300.99789	1.4
301.50540	0.7
313.05582	1.2
318.20621	0.7
340.76141	0.7
537.19763	100.0
538.20135	11.6
565.11987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.98820	2.1
71.01396	3.6
71.01712	0.6
73.02943	0.8
76.24992	0.6
85.02941	1.6
87.00871	1.3
88.98810	1.3
89.02471	0.6
96.95985	2.0
101.02455	1.3
109.02932	1.9
113.02441	0.8
121.02910	0.7
123.00832	1.0
124.01636	1.1
125.02434	2.1
129.01944	1.0
135.04526	0.9
137.02470	4.3
138.03224	2.9
149.02461	1.1
161.02417	1.1
161.06102	1.5
168.00609	1.2
169.01411	1.7
172.05240	0.7
173.06047	1.5
175.04030	3.3
176.01140	1.3
177.01903	1.6
177.04088	0.8
177.05536	1.1
178.02705	0.7
178.99870	1.4
179.03560	0.8
189.01904	1.0
189.05594	6.8
190.06331	3.3
191.03444	1.4
191.07137	5.3
192.07736	0.9
193.01390	1.5
193.08640	1.0
203.03473	4.5
204.04333	3.3
205.05038	1.1
211.02487	0.9
217.01393	0.7
217.04993	1.9
218.05832	11.9
219.06451	1.2
234.05284	3.9
235.06126	2.7
249.07861	1.0
259.13409	0.9
261.14905	1.6
275.01956	0.8
277.07202	1.5
277.14441	2.2
285.11301	0.7
287.13016	1.4
300.99850	3.3
301.99799	0.6
303.12411	1.0
305.14008	1.7
321.13739	0.9
341.06796	0.9
464.16525	1.1
465.17657	45.7
466.18036	5.1
526.26135	0.7
537.19885	1.1
627.22968	100.0
628.12885	0.9
628.23309	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	628.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	5.9
65.00335	0.9
69.51530	1.4
69.51945	3.7
88.14291	0.6
88.98811	2.7
103.75034	0.7
107.01391	1.7
123.00896	1.0
125.02432	1.8
133.04073	0.7
146.02835	0.7
148.01654	1.4
151.00352	4.0
158.74915	0.8
169.01436	1.7
178.99840	4.5
215.03418	0.9
226.02580	1.0
227.03551	1.8
243.02968	9.3
244.03503	0.8
254.02080	1.9
255.03003	22.4
256.03381	1.5
271.02481	50.0
272.02985	4.0
299.01965	1.6
300.02750	96.9
301.03143	8.7
496.32104	0.8
512.66357	0.8
538.20013	1.7
539.21191	2.9
565.11987	100.0
566.12250	12.6
628.23383	1.5
629.11053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17694	0.5
60.65922	0.5
73.01109	0.4
87.00882	0.6
88.23734	0.6
89.75105	0.6
93.21001	0.7
96.96014	3.3
100.57436	0.6
101.18944	0.5
108.02177	55.3
109.02982	9.3
113.02372	0.5
123.00870	0.8
125.02461	0.9
133.02942	0.8
135.04495	0.6
136.93996	0.6
147.00983	0.6
151.03955	1.3
152.01157	45.6
153.01950	23.7
154.02284	1.0
163.04013	1.6
165.01938	1.0
167.72391	0.6
169.01352	0.9
175.04002	0.5
249.04004	0.9
275.01962	0.7
285.06158	100.0
286.06531	5.4
301.00015	4.0
466.53394	0.7
556.10321	0.6
630.29041	0.6
637.46722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
60.99306	6.6
66.48743	0.8
69.55886	2.8
69.56289	3.6
71.01364	1.5
83.01392	0.9
84.12013	0.9
88.98812	40.4
89.02449	1.0
107.01408	2.7
111.00872	1.4
113.02445	1.1
123.00893	9.2
125.02461	10.8
139.00372	2.3
140.01183	2.1
151.00366	7.9
168.00674	3.8
169.01424	19.0
209.11906	1.1
211.02452	6.5
221.47459	0.9
232.73151	1.0
271.02194	1.2
271.04636	6.8
300.99908	2.7
313.05875	1.1
334.08264	1.0
448.52203	1.3
465.09177	1.2
502.47577	1.0
502.56152	1.1
537.19775	100.0
538.20270	12.7
565.11853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32840	6.9
58.12212	6.7
61.98835	14.2
66.21122	8.0
71.61426	9.1
96.96016	100.0
99.04552	8.3
102.51363	7.3
125.02437	21.4
141.32864	9.0
159.10207	9.8
161.02443	9.2
169.01443	27.7
239.05942	69.8
248.12631	7.6
249.03987	15.6
275.02008	11.8
300.99884	30.7
301.03116	9.4
302.00281	11.7
335.78598	8.3
400.13351	8.8
649.44519	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	627.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92157	0.3
59.01390	1.3
61.98826	3.5
65.00328	0.4
67.65800	0.3
69.54726	0.9
69.55145	0.8
71.01392	0.7
72.99280	0.3
73.02951	0.3
78.95898	0.4
79.95750	0.5
85.02951	0.5
87.00883	0.3
88.98804	0.4
89.02459	0.6
91.05515	0.4
93.03501	0.3
95.01389	0.5
96.96016	3.6
99.00897	0.3
101.02419	0.5
105.57985	0.2
107.01379	0.5
107.05056	0.9
111.00883	0.3
113.02466	0.5
115.01366	0.3
117.03484	0.3
121.02924	0.3
123.00903	0.9
125.02448	1.4
133.02962	0.5
134.03738	3.9
135.04535	100.0
136.04857	3.6
137.02481	0.3
139.00360	0.3
149.06110	0.4
151.00381	1.2
151.07643	0.4
161.02434	0.7
161.09738	0.4
165.01917	0.5
169.01375	1.8
175.03928	0.4
179.03503	79.9
179.10739	0.9
180.03877	2.9
189.35454	0.3
189.37271	0.3
195.06627	0.6
209.11819	0.3
244.17822	0.2
248.24777	0.3
265.36819	0.3
271.04678	0.3
341.09042	0.3
447.09604	5.2
465.32053	0.4
503.19205	2.8
504.19971	0.4
536.31659	0.3
539.41608	0.3
547.18286	4.9
548.18549	0.6
565.23145	0.3
616.49011	0.3
626.28290	0.4
627.13953	21.6
627.29114	3.9
628.14270	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	627.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01381	2.7
61.98834	14.4
63.88542	0.5
71.01385	2.9
71.60574	0.8
72.04239	0.5
73.02956	0.8
75.00903	0.9
85.02980	0.9
87.00870	1.1
88.98849	0.8
89.02458	1.3
89.03928	0.6
95.01431	0.7
96.96008	7.4
96.96953	0.6
99.00884	0.5
101.02451	2.0
105.01950	0.6
107.05041	0.9
109.06576	0.5
111.00901	1.0
113.02453	1.4
116.92860	1.1
117.03431	0.9
119.03515	0.7
121.02992	3.3
123.00853	1.4
125.02464	3.6
133.02975	0.7
134.03734	3.1
134.04604	0.5
135.04532	100.0
136.04855	3.7
137.02438	0.8
139.00436	0.7
139.03999	1.1
146.92163	0.5
147.51018	0.5
150.03108	0.5
150.07045	0.6
151.00374	2.2
151.03992	1.0
151.07674	1.7
161.02446	2.0
161.99551	0.5
165.01944	3.7
165.05528	0.7
168.00731	0.9
169.01421	4.2
171.10237	0.7
175.04094	0.6
179.03503	79.4
179.10826	1.7
180.03873	2.9
181.05020	0.6
194.05792	0.7
199.09805	0.8
209.08257	0.6
209.11867	2.1
211.02565	0.7
221.11935	1.0
301.00006	0.6
367.13907	1.4
371.24374	0.7
447.09686	3.9
465.25253	0.6
465.32141	1.2
475.29123	0.6
503.19455	2.1
547.18341	6.0
548.18524	1.2
565.23724	0.7
596.54803	0.6
609.28949	0.7
626.28644	0.6
627.13947	33.8
627.29175	11.7
628.14203	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	625.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01382	7.4
60.99305	0.8
61.98518	0.8
61.98835	11.1
65.00318	0.6
67.01892	1.3
68.99841	0.5
69.03450	1.1
71.01393	4.2
72.99321	1.1
73.02950	0.7
73.42585	0.5
76.29230	0.5
79.01900	1.5
81.03459	0.5
82.07436	0.4
83.01386	1.4
85.02954	2.0
87.00876	2.2
88.98814	4.6
89.02444	2.0
89.26574	0.4
93.66575	0.5
95.01397	3.3
96.96014	4.1
97.02951	1.3
98.19832	1.1
98.95581	1.4
99.92563	2.5
101.02444	2.9
103.27753	0.5
107.01401	7.0
109.02950	0.5
111.00896	3.8
113.02448	2.2
115.92065	1.1
116.92866	1.0
119.03487	1.1
119.05074	1.0
121.02957	0.7
123.00891	12.9
123.04475	0.7
124.01674	3.1
125.02455	40.3
126.02839	0.8
127.00401	1.2
135.04515	1.2
136.98798	2.1
137.02455	1.5
139.00394	5.6
139.03911	0.8
140.01169	5.0
141.01947	1.4
143.05490	0.6
145.02980	1.1
149.02458	0.5
151.00386	8.5
151.03999	0.8
153.01918	1.5
161.02451	0.8
161.04576	0.5
163.04013	0.9
165.01924	0.9
165.05554	0.5
166.99832	1.0
167.03462	0.6
168.00645	9.4
169.01430	38.7
170.01755	1.0
179.03549	1.1
181.01286	1.1
182.05821	1.7
197.08171	2.1
211.02478	2.8
247.73376	0.5
268.91867	0.6
271.02356	0.6
289.07126	1.6
292.04279	0.5
295.04492	0.7
297.06137	1.5
299.99167	0.5
300.99841	1.1
313.05597	2.1
316.02310	1.2
318.00528	0.5
375.27338	1.4
383.30011	0.6
427.19800	1.0
445.00116	0.6
455.19247	4.2
463.30634	0.7
473.20309	10.3
474.20584	1.4
563.12073	0.5
577.10126	1.9
581.35492	0.7
589.09985	1.1
625.21356	100.0
625.37872	3.3
626.21527	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	625.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91864	1.4
57.03443	2.9
59.01385	20.6
61.98836	36.6
65.00314	3.8
67.01891	1.5
70.23582	1.6
71.01395	9.3
71.05042	3.2
72.99325	3.8
73.02966	3.6
77.93943	1.5
78.95918	15.7
83.01394	4.1
85.02999	1.9
87.00860	2.2
88.98814	4.0
89.02453	4.7
95.01390	2.2
96.96019	19.7
96.96960	2.8
97.02943	2.2
101.02479	3.8
107.01404	8.6
109.02969	2.9
113.02425	2.5
116.92866	2.2
117.05626	2.7
121.02939	2.5
123.00923	4.1
123.04523	4.1
124.01704	2.6
125.02451	14.7
128.59882	1.5
128.83589	1.7
132.79858	1.7
133.02858	1.5
134.03703	1.5
135.04538	24.6
135.08157	1.8
136.05225	3.3
136.98878	2.0
137.02409	2.3
138.52330	1.6
139.00400	2.8
139.04015	5.9
140.01216	1.9
149.06122	3.4
151.00374	40.0
151.03996	6.7
152.01123	5.4
152.99600	9.8
153.01909	2.5
153.05629	2.2
161.02472	4.0
161.04584	2.1
163.04123	1.9
163.07639	1.7
165.01924	2.7
165.09213	3.7
166.02734	27.8
167.03488	7.1
169.01437	8.1
171.10298	3.0
175.04030	4.8
179.03491	2.1
180.04341	2.4
181.05092	29.8
190.06369	7.1
191.07167	3.9
193.04988	1.7
194.05885	2.1
195.06578	2.6
201.11311	2.2
205.08699	3.6
207.10216	1.9
209.11870	10.9
225.11269	3.6
227.12846	2.0
235.15489	1.6
287.05667	21.9
289.07193	3.1
300.99768	3.6
316.02390	2.4
337.09140	2.5
370.13898	2.8
373.12927	7.2
383.16977	1.6
388.15283	5.4
403.17648	100.0
404.18130	10.7
463.25079	1.7
463.30646	9.1
563.21570	2.2
625.16400	9.1
625.27356	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86254	0.9
61.46558	0.9
62.55899	1.1
64.69132	0.8
66.82442	0.9
69.81483	5.5
75.81187	1.0
81.06445	1.0
98.20556	1.3
101.02408	1.0
103.22903	1.0
107.01419	2.2
116.55109	1.1
124.01635	2.9
137.02481	1.2
151.00333	5.9
152.01198	1.4
164.01123	2.0
178.99876	10.0
203.03471	1.3
209.11813	4.4
214.02672	6.5
215.03403	1.1
232.04146	1.0
242.02231	6.1
243.02934	3.0
259.02496	8.7
270.01736	7.4
271.02487	45.9
272.02835	2.8
287.01974	28.6
288.02548	3.2
315.01437	2.3
316.02234	100.0
317.02863	9.5
397.13428	1.2
404.36148	1.0
625.14050	99.5
626.14624	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	625.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09209	0.5
57.03450	2.7
59.01385	3.1
61.98833	16.8
61.99149	1.1
63.02388	1.4
65.00326	15.5
69.37794	0.5
71.01393	3.1
71.61956	0.8
72.99317	0.7
73.02943	0.7
75.00892	0.7
78.95912	4.8
81.03434	0.8
81.52301	0.5
83.01395	6.0
85.02959	1.6
87.00872	0.8
88.98820	1.8
89.02461	1.6
93.03441	0.6
96.96026	3.1
96.96984	0.8
97.02966	0.8
98.95607	0.7
101.02448	1.7
101.06065	1.1
103.04027	1.1
107.01394	20.6
107.05039	0.7
109.02950	2.5
113.02459	1.1
116.92847	0.8
117.03494	0.6
117.05586	1.7
121.02922	1.1
123.00869	1.2
123.04527	2.0
125.02455	17.3
126.02872	0.6
132.02179	1.2
133.02968	2.5
133.06683	0.5
134.03766	5.6
135.04533	67.0
136.04854	1.7
137.02475	1.4
139.04076	0.7
142.53656	0.6
149.02469	0.9
149.06078	1.0
151.00378	100.0
151.03998	2.1
151.07680	0.7
152.00674	2.7
152.99586	1.8
159.04527	1.8
160.01654	6.3
161.02454	10.5
161.04480	0.7
165.01932	1.3
165.05643	0.9
165.09215	1.4
168.00696	0.9
169.01448	4.6
170.01863	0.6
175.00386	2.1
175.03995	12.2
177.01979	1.9
179.03595	0.7
179.10754	1.1
181.08804	0.8
188.04669	0.6
193.01389	0.8
193.05011	3.7
203.07097	1.0
205.05077	1.0
209.11862	3.1
211.02533	0.9
217.04997	0.8
243.06657	3.9
245.08192	0.6
253.30087	0.6
287.05621	55.5
288.05954	4.9
289.07211	3.3
300.99872	1.0
301.07181	0.9
323.07697	0.9
337.09302	11.9
409.46173	0.7
449.10889	5.6
450.11514	0.7
463.30670	5.4
465.45178	0.6
473.14270	2.7
489.10458	1.0
499.12317	4.9
500.12839	0.7
563.21729	0.9
607.25073	0.6
624.36859	3.3
624.93652	0.6
625.15851	20.5
625.28180	5.6
625.38354	2.5
626.15979	2.8
626.26782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
59.62886	0.7
61.98846	2.7
62.49274	0.6
63.02438	0.6
65.00327	1.6
65.45783	0.6
69.78355	3.8
71.01395	1.2
79.37215	0.7
83.01417	1.7
85.02956	0.6
89.02479	1.1
96.96001	2.8
98.95586	1.1
107.01379	4.4
108.02184	1.6
109.02937	2.0
109.22523	0.6
121.02960	3.6
123.00867	1.2
123.04583	0.6
124.01627	0.7
125.02483	2.6
131.03496	0.6
133.02995	4.0
135.00941	0.7
135.04553	4.2
148.01707	1.4
149.02383	1.1
149.06094	0.6
150.03214	0.9
151.00385	20.9
161.02449	10.0
163.00401	2.8
164.01198	1.0
165.01926	0.7
165.05565	2.2
169.01440	2.6
178.99867	7.3
179.03499	1.7
211.04053	0.9
216.04117	0.6
226.02774	1.1
227.03578	2.0
243.02982	8.4
245.04587	0.8
254.02173	1.8
255.02989	24.1
256.03433	1.0
271.02466	51.9
272.03030	4.5
273.04138	1.4
283.02509	1.6
287.02008	2.5
287.05331	0.7
299.02106	1.9
300.02756	100.0
301.03500	65.1
301.07199	0.6
302.03851	3.7
316.02304	4.6
317.02612	0.9
323.07724	2.9
424.30640	0.7
463.08820	82.8
464.09003	8.9
479.08215	1.8
549.32874	0.7
625.11926	46.7
625.37628	1.5
626.12292	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	623.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71988	0.7
57.03431	0.6
58.90442	0.6
59.01371	2.7
60.01595	0.6
61.98835	6.2
69.51372	4.0
71.01388	1.8
71.05023	1.3
71.55416	0.7
73.02952	2.0
74.88390	0.6
75.00950	0.8
75.79274	0.7
78.66054	0.6
78.95908	100.0
79.95714	0.7
80.02702	1.9
80.96551	1.1
81.03459	2.0
83.05030	8.6
83.80050	0.6
84.02177	1.4
88.98812	2.3
89.02461	4.5
95.05032	1.1
96.96014	1.3
96.96970	8.4
101.02443	1.4
109.06548	1.3
113.02477	1.2
116.92865	1.6
117.05577	2.7
123.00874	1.0
125.02438	2.2
125.06082	1.1
134.98509	1.1
135.08160	1.1
150.98045	0.9
151.00433	0.9
152.99599	57.9
163.11287	6.7
165.12863	3.8
168.00645	1.1
169.01416	1.7
171.00630	1.5
181.12350	1.2
191.10768	1.4
207.10242	1.6
209.11835	97.3
210.12212	3.7
225.11330	1.6
227.12924	10.3
255.16069	1.8
359.27975	1.1
363.12164	32.4
364.12549	1.9
381.13214	10.3
395.14755	9.4
413.15756	1.3
591.25787	49.4
592.26147	6.3
623.28076	28.2
624.28650	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	625.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05573	0.3
54.10492	0.4
56.54295	0.4
57.03444	0.4
59.01394	1.0
61.98840	2.4
63.02417	0.4
65.00346	0.5
69.48792	2.3
71.01401	0.9
82.69277	0.4
83.01395	0.6
88.77741	0.4
88.98820	1.1
89.02469	0.6
91.01910	0.4
96.96032	1.3
104.21181	0.4
107.01411	1.9
109.02957	0.8
123.00906	0.6
124.01664	2.1
125.02486	1.7
135.00909	0.5
135.34302	0.4
136.01656	0.9
137.02444	2.0
139.44318	0.4
145.02934	0.7
151.00372	8.0
152.01216	0.9
161.02509	0.7
163.00401	1.8
164.01147	2.2
165.01901	1.2
169.01448	2.1
178.99870	6.4
180.00261	0.4
180.04257	0.6
192.00616	0.6
193.01395	0.5
199.03975	0.5
203.03537	1.1
204.04240	0.9
214.02724	7.0
215.03302	1.6
217.01486	0.6
227.03510	1.6
231.02913	0.9
232.03787	0.6
234.24168	0.4
242.02205	5.5
243.03033	4.1
255.02905	0.7
259.02478	5.5
270.01715	7.1
271.02487	42.0
272.02798	2.9
284.03268	0.6
287.01984	24.9
288.02533	3.6
299.01993	1.1
300.02682	1.1
301.03476	0.8
315.01569	0.8
316.02249	100.0
317.02875	20.3
318.03360	1.4
463.08670	0.8
479.08334	32.5
480.08524	3.0
563.13763	0.7
625.11963	54.5
625.38232	1.8
626.12231	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	622.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
58.02989	4.1
59.01391	21.9
61.98849	2.6
70.01395	6.2
70.01801	4.0
71.01385	9.3
72.99339	4.1
81.21322	1.8
82.03013	5.4
83.01395	11.3
85.03006	3.0
89.02473	7.3
96.96043	6.5
97.02972	3.9
98.20689	3.6
100.04047	88.1
101.02450	18.5
109.02980	9.0
112.04045	11.5
113.02533	2.4
114.05648	4.1
119.03488	14.8
120.99643	18.9
121.02956	2.3
122.16026	1.8
123.00930	5.8
123.04542	3.1
124.01577	2.7
124.04828	2.8
125.02473	11.9
126.58804	1.8
128.03603	3.2
135.04521	3.7
137.02507	5.9
138.03262	14.5
139.00412	2.3
139.04047	3.3
140.03624	2.6
142.05115	3.9
145.03040	2.1
151.00441	5.4
151.04118	3.5
153.05653	6.2
156.06699	3.9
158.03970	2.0
159.04617	3.0
165.01981	5.6
169.01468	7.5
175.04092	3.0
177.01901	2.5
178.99902	2.3
179.03539	3.7
180.03951	2.6
187.04086	7.0
197.97865	2.0
202.07291	10.7
203.03569	6.0
203.07188	4.2
204.07523	2.3
205.05075	3.2
206.05605	2.7
211.02417	2.1
221.08235	3.8
231.03072	2.8
233.08235	3.7
245.08302	3.1
246.08722	3.3
249.04057	3.1
259.02567	6.0
271.02658	5.3
287.01987	10.8
289.07224	22.8
290.07559	16.4
293.04965	2.0
300.99875	13.8
302.00259	2.5
313.07419	2.7
315.01294	12.4
316.02341	6.1
317.03159	3.2
341.10416	3.7
344.09158	5.0
352.23981	2.2
355.12045	3.5
358.10663	7.1
358.71716	2.5
359.11285	11.7
359.15265	2.5
371.11380	4.7
373.13019	17.0
389.12576	7.4
401.16479	3.0
404.14618	10.4
419.17105	59.0
420.17770	3.8
450.03012	2.4
463.09082	8.2
468.13953	4.3
546.86865	2.2
562.22809	10.7
569.53534	2.2
574.64008	2.1
607.23395	5.4
622.25458	100.0
623.12775	19.5
623.24396	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	621.211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57215	4.0
57.46903	4.1
59.01114	4.0
59.01385	23.4
60.99316	11.7
61.98840	60.4
69.49075	28.7
71.01393	9.2
73.02954	5.8
78.95911	8.5
83.01400	5.0
85.02950	13.9
87.00864	4.9
88.98808	66.8
89.02465	43.0
96.95436	7.6
96.96021	100.0
96.96979	7.9
101.02484	6.5
108.64424	4.3
113.02453	5.5
117.05576	4.8
119.05117	4.9
122.03735	5.8
123.00866	9.7
124.67455	4.0
125.02451	16.7
139.00470	4.4
149.02431	10.0
150.03209	32.5
151.00415	5.7
161.02480	9.2
165.05576	62.0
168.00667	7.1
169.01448	19.6
175.04080	4.6
177.05560	4.0
179.03477	4.9
183.02945	5.1
189.00029	4.1
195.06619	78.7
211.02509	4.9
271.04489	5.8
329.10306	5.8
333.45377	3.9
341.10086	5.2
359.14975	17.3
371.15134	20.3
371.19434	4.3
467.42734	4.5
558.26398	4.4
585.23627	10.6
603.24384	5.9
621.25043	33.4
621.34723	17.3
622.25317	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	622.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	12.2
59.01369	2.0
70.02973	4.8
71.01362	2.6
71.15903	3.0
72.00896	4.0
72.99340	1.6
75.00878	1.6
85.02975	2.0
90.75808	1.6
91.05534	5.1
96.54716	1.2
96.96048	3.4
113.02504	1.6
121.02927	8.3
125.02390	2.0
134.95993	1.3
147.03372	1.5
147.04536	25.6
164.07179	56.8
165.07436	2.2
168.42110	1.5
206.08232	100.0
207.08533	5.4
249.06160	5.6
250.06801	1.4
300.99860	4.3
371.09802	17.3
424.75735	1.4
549.70837	1.5
559.22845	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83930	0.2
59.01380	0.8
61.98843	1.6
71.01387	0.7
71.05025	0.5
71.61121	0.4
73.02979	0.4
75.00871	0.3
78.95913	0.5
79.95748	3.7
83.01392	0.3
85.02933	0.4
87.00914	0.4
89.02428	0.5
96.96021	100.0
101.02470	0.8
107.01384	0.4
108.02145	0.3
111.00936	0.3
113.02497	0.4
117.05572	1.2
123.00924	1.3
125.02469	2.9
127.00385	0.2
135.76814	0.2
136.01717	0.3
136.99007	0.3
137.02470	0.4
137.09753	0.3
137.29723	0.2
139.00427	0.6
140.01140	0.6
140.68214	0.3
149.26602	0.2
151.00377	1.0
151.04100	0.5
161.04562	0.4
164.01218	0.3
165.01944	0.4
168.00681	0.9
169.01421	2.8
177.04047	0.2
177.70122	0.2
182.86691	0.3
185.26848	0.3
190.35757	0.2
211.02498	1.0
269.08221	0.3
271.04614	1.0
274.05948	0.3
292.27872	0.3
311.09296	0.3
313.05814	0.3
329.13931	1.3
341.14108	0.6
373.13004	0.6
469.17322	0.6
523.21875	7.6
524.22156	0.8
603.24573	2.3
621.26276	2.7
621.35413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83930	0.2
59.01380	0.8
61.98843	1.6
71.01387	0.7
71.05025	0.5
71.61121	0.4
73.02979	0.4
75.00871	0.3
78.95913	0.5
79.95748	3.7
83.01392	0.3
85.02933	0.4
87.00914	0.4
89.02428	0.5
96.96021	100.0
101.02470	0.8
107.01384	0.4
108.02145	0.3
111.00936	0.3
113.02497	0.4
117.05572	1.2
123.00924	1.3
125.02469	2.9
127.00385	0.2
135.76814	0.2
136.01717	0.3
136.99007	0.3
137.02470	0.4
137.09753	0.3
137.29723	0.2
139.00427	0.6
140.01140	0.6
140.68214	0.3
149.26602	0.2
151.00377	1.0
151.04100	0.5
161.04562	0.4
164.01218	0.3
165.01944	0.4
168.00681	0.9
169.01421	2.8
177.04047	0.2
177.70122	0.2
182.86691	0.3
185.26848	0.3
190.35757	0.2
211.02498	1.0
269.08221	0.3
271.04614	1.0
274.05948	0.3
292.27872	0.3
311.09296	0.3
313.05814	0.3
329.13931	1.3
341.14108	0.6
373.13004	0.6
469.17322	0.6
523.21875	7.6
524.22156	0.8
603.24573	2.3
621.26276	2.7
621.35413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2566
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.13181	1.4
56.57968	1.5
69.61756	2.8
69.62164	6.3
78.95917	15.0
95.01422	1.9
122.97001	1.4
131.34201	1.3
152.01147	2.0
152.99609	7.9
170.62257	1.3
195.31047	1.4
209.11868	4.4
255.23332	13.3
363.12167	2.6
365.01868	1.4
383.22519	2.0
391.22586	2.8
401.13864	1.5
415.15829	3.6
416.16379	13.6
416.50848	1.4
429.17303	1.9
430.18253	2.1
459.18280	100.0
460.18756	12.1
473.19910	12.7
474.20688	5.6
503.17099	3.2
518.19574	40.1
519.20038	6.8
532.21136	8.4
533.21973	95.5
534.22375	11.1
550.30652	1.4
587.23169	4.0
588.52515	1.4
619.25720	79.4
619.38373	9.2
620.25879	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	620.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95994	0.4
53.29346	0.4
57.03432	0.8
59.01382	3.3
61.98836	5.1
67.16607	0.4
70.13110	0.8
70.13504	1.2
71.01373	2.0
78.06602	0.4
79.01914	0.8
83.01366	0.7
85.02935	0.8
87.00921	0.4
88.98804	0.8
89.02446	1.1
95.01394	1.7
96.95996	0.9
97.02966	0.8
101.02438	1.2
107.01403	2.7
111.00895	1.5
113.02426	0.8
119.03551	0.5
120.21567	0.4
123.00890	8.6
123.04495	0.6
125.02460	14.2
126.02795	0.6
127.00380	0.4
136.98889	0.9
137.02428	1.2
139.00346	2.6
140.01158	1.9
141.01932	0.9
149.02464	0.6
149.09726	0.6
150.03200	1.6
151.00400	6.5
153.01926	0.5
161.02419	0.5
165.01926	0.6
165.05482	0.4
167.10878	0.5
168.00633	3.0
169.01430	19.2
170.01759	0.6
175.04059	0.5
177.01842	0.7
177.05566	0.5
182.84827	0.4
193.01411	1.6
194.01730	0.9
201.01906	0.5
211.02475	8.7
212.02748	0.4
229.01512	0.6
237.00414	1.8
238.00781	0.7
241.03395	0.6
247.02505	0.4
249.04097	1.1
250.04552	0.5
253.03955	0.4
257.00897	0.7
271.04602	7.6
275.02039	1.5
299.99078	0.8
300.99869	6.4
302.00116	0.5
313.05630	1.7
335.05792	0.5
405.03195	0.4
425.01199	0.8
453.17343	0.5
466.02975	0.5
481.17319	0.8
539.21014	1.0
557.22388	100.0
558.22821	11.9
575.49139	0.5
620.06659	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	619.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99846	0.6
56.41833	0.7
59.01396	1.8
61.98835	2.0
65.15868	0.8
69.03456	0.9
71.01395	2.8
76.87625	0.7
85.02937	0.8
88.98780	1.0
96.96016	5.9
96.96977	0.7
98.95591	1.0
101.02455	0.8
104.52438	0.6
107.01395	14.4
108.43420	0.7
111.00887	1.1
112.49655	0.7
113.02503	0.8
113.34450	0.7
116.92877	2.2
120.99572	0.9
121.02968	1.1
122.03719	0.8
123.00887	5.7
123.04559	6.5
125.02451	59.1
126.02785	2.0
135.04518	2.8
137.02478	1.7
139.00383	1.5
140.01178	1.1
149.02397	2.6
150.03261	3.6
151.00398	3.7
151.03903	0.8
153.01877	0.8
153.05582	13.2
154.24710	0.7
165.01900	0.8
165.05577	4.0
166.05959	1.1
166.99852	0.8
168.00635	1.9
169.01428	100.0
170.01779	2.8
179.03474	1.3
180.04301	1.2
182.02219	3.0
193.01343	1.0
194.05795	1.3
195.06596	3.2
196.07034	0.9
197.04575	5.3
205.05128	0.7
209.08089	0.7
211.02469	1.6
212.06960	0.8
227.09265	1.8
241.03546	1.1
300.99860	2.1
305.06674	36.4
306.07150	1.4
313.02197	1.4
313.05658	24.2
314.05859	1.1
343.12057	1.4
467.11948	51.1
468.12302	4.8
571.21082	1.1
619.12866	45.6
619.29510	1.4
620.13269	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	619.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
69.03442	1.9
71.01389	2.0
71.60624	2.0
73.26273	1.7
81.03466	2.7
83.01380	3.4
93.03474	4.4
95.01402	5.8
105.03475	2.9
107.01398	9.8
109.02957	5.3
111.00845	1.9
111.04533	1.6
112.66892	1.4
117.03501	2.9
118.50710	1.3
121.02950	8.9
123.00904	5.7
123.04541	4.5
124.01661	3.1
125.02454	68.0
127.21886	1.4
131.05023	1.8
137.02467	11.2
139.00388	2.8
139.03912	1.3
145.02921	3.3
147.04501	3.8
149.02458	10.6
150.03207	2.6
151.04002	4.8
159.04507	4.1
161.02428	4.5
163.00366	2.0
163.04018	1.7
164.01132	3.5
165.01932	11.9
166.99893	1.9
167.03391	1.6
168.00668	2.7
169.01447	56.2
170.01871	1.4
173.02466	5.5
173.06055	3.1
175.00407	1.6
175.04015	8.2
176.04530	1.4
177.02014	1.3
183.04559	1.5
185.77165	1.5
187.04019	2.2
189.01917	2.7
189.05577	5.0
190.02837	1.8
191.03461	2.7
193.01428	100.0
194.01778	3.0
195.02977	1.9
201.01923	4.8
201.05525	2.3
203.03528	10.5
205.01460	2.1
205.05017	3.2
209.00812	1.9
211.02457	3.5
213.05493	2.2
217.01466	2.6
217.05104	3.4
219.02908	1.4
219.06534	2.4
225.05605	2.0
227.07181	1.8
229.01387	9.4
229.03516	4.0
230.01950	2.0
231.03003	6.4
231.06546	2.4
233.00845	3.1
233.04643	2.1
237.00436	11.8
241.04927	1.4
242.02281	1.5
243.03004	2.7
244.03778	3.5
245.00928	4.7
245.04599	3.3
246.01651	1.8
247.02499	5.4
249.04033	6.4
251.30362	1.4
255.06461	2.2
256.03897	2.2
257.00894	3.3
257.04520	2.1
259.02448	3.5
272.03409	1.7
273.00510	10.6
273.07800	3.0
275.01990	7.5
275.05313	2.7
276.02386	2.2
285.04156	1.8
287.05624	2.9
289.03836	1.7
289.07040	3.5
291.01535	1.8
299.05634	3.7
299.99118	2.2
300.99908	33.3
302.00137	6.7
317.06717	6.2
343.04691	6.4
361.05695	4.4
367.00757	1.6
381.04550	6.0
387.03476	3.8
405.04523	2.7
422.03970	2.3
423.05383	3.2
444.03244	2.5
465.09726	1.8
467.05020	2.6
474.01938	1.7
475.03375	2.6
522.53558	1.4
531.07965	1.7
575.06525	11.1
619.05804	87.7
620.06287	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	618.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.4
61.98838	9.4
67.01873	1.0
71.01387	3.3
71.60300	1.0
71.60719	1.2
72.99345	0.9
73.02950	1.0
83.01415	1.2
85.02975	2.0
87.00877	1.1
89.02444	1.6
90.84536	1.0
95.01393	2.1
95.38997	0.8
96.96017	3.6
97.02956	1.0
101.02438	1.5
107.01383	4.6
109.02953	2.2
111.00864	1.6
113.02506	1.3
121.02992	1.2
122.03741	1.9
123.00896	13.7
123.04522	2.7
125.02461	24.1
126.02806	1.8
136.98853	1.0
137.02441	2.0
139.00357	3.6
140.01144	2.6
141.01962	1.6
145.02968	1.3
147.04514	0.8
149.02446	1.9
150.03223	2.1
151.00385	7.9
151.03943	1.8
153.01923	1.2
159.04503	1.6
161.02475	4.4
163.94843	0.8
165.01952	2.5
165.05557	1.7
166.99834	1.2
168.00615	3.7
168.07919	1.2
169.01448	29.1
170.01659	2.0
175.03896	1.3
177.01939	2.2
177.04005	1.0
190.02550	1.0
191.03490	2.3
195.06653	1.9
201.01971	1.6
203.03522	1.8
207.03033	1.1
209.00865	1.0
211.02483	6.9
229.01385	1.6
231.02927	2.7
249.04074	6.9
257.00906	1.4
258.01666	0.9
259.02408	0.8
263.80121	0.9
271.04688	7.5
274.01083	1.1
275.01904	7.6
276.02161	1.0
296.49088	0.8
300.02917	1.5
300.99933	17.5
301.03226	2.7
302.00305	2.0
302.03531	2.2
303.03479	1.4
313.05707	2.0
327.05048	0.9
328.05569	1.2
331.06467	1.0
466.09482	2.8
467.11893	1.9
480.97937	0.9
483.00879	0.8
525.19818	12.8
526.20380	1.2
555.20813	100.0
556.21082	11.0
618.10474	7.4
618.27594	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	619.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70594	0.8
59.01376	1.9
61.98833	2.8
65.00316	2.0
67.01877	1.7
69.03465	1.0
69.79984	2.0
69.80401	3.1
71.01398	2.2
81.03468	1.3
89.02412	1.3
93.03491	4.7
95.01389	1.4
95.05080	1.1
96.96025	2.5
97.02969	2.5
100.06461	0.9
101.02448	1.5
105.03455	2.9
107.01391	6.0
109.02969	6.9
111.00874	1.7
111.04523	1.1
116.92862	3.7
120.99731	0.9
121.02959	8.6
123.00893	3.9
123.04507	3.4
124.01671	1.8
125.02454	38.9
131.01347	1.7
136.01660	1.1
137.02448	9.4
139.00319	1.2
140.01126	1.0
145.02888	1.5
148.01648	2.6
149.02441	15.6
150.03220	2.2
151.00371	3.5
151.03990	3.6
153.01927	3.6
159.04482	1.5
161.02451	1.9
163.03984	2.0
164.01131	2.2
164.04733	1.1
165.01927	11.7
165.05623	2.0
167.03429	1.7
168.00603	2.2
168.99977	1.8
169.01427	34.0
170.01729	1.2
173.02368	1.1
175.00409	2.1
175.04002	1.3
189.01973	1.4
190.02621	1.0
191.03485	1.8
192.00710	1.0
193.01416	70.8
194.01709	2.3
195.02879	1.0
195.06554	1.2
201.01939	1.9
203.03502	2.9
205.05040	1.3
211.02454	4.2
229.01404	3.0
231.02991	2.3
237.00395	100.0
238.00735	3.8
241.05107	2.7
243.02797	1.0
249.04051	5.1
255.06775	1.3
256.07297	1.0
257.00937	1.0
271.04520	1.9
271.09732	4.6
275.01993	3.2
287.98892	1.0
299.99265	1.3
300.99933	13.2
302.00180	3.0
343.04465	1.1
361.05551	1.4
381.04758	1.3
449.07822	1.2
555.20532	8.2
556.20715	7.4
557.22491	6.1
575.06647	4.7
619.05493	29.4
620.05927	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	617.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60819	0.7
78.95924	0.5
83.11364	0.4
91.58476	0.5
116.31371	0.4
116.92766	0.5
117.03472	28.7
118.03785	1.1
119.05022	6.6
121.02952	1.5
123.04493	0.7
145.02957	92.1
146.03325	3.4
162.03220	0.6
163.03992	1.2
185.85110	0.4
256.50504	0.4
352.10638	0.5
423.28741	0.5
432.46362	0.5
453.33835	1.5
497.32648	1.7
617.38477	100.0
618.38843	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	617.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60743	0.3
61.98832	0.4
70.07025	1.4
94.49698	0.3
107.74876	0.3
117.03484	29.9
118.03805	0.8
119.05045	7.9
121.02997	1.2
123.04498	0.6
133.02908	0.3
143.38005	0.4
145.02972	97.1
146.03304	2.9
162.03241	0.6
163.03993	1.5
231.66905	0.3
247.53398	0.3
417.37418	0.3
453.34100	1.5
455.08698	0.3
497.32858	1.3
573.39532	0.7
617.38531	100.0
618.38855	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91689	0.3
65.67588	0.3
69.47308	2.0
79.39354	0.3
79.74774	0.3
117.03471	27.0
118.03812	0.5
119.05032	7.2
121.02954	1.7
123.04546	0.4
134.03748	0.3
145.02956	92.0
146.03297	2.9
162.03259	0.4
163.04062	2.0
183.00323	0.3
200.60355	0.3
202.06728	0.3
371.09625	0.3
442.38766	0.3
453.33743	1.6
497.32895	1.4
536.11505	0.3
573.39587	0.4
617.38464	100.0
618.38812	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32886	0.3
82.79748	0.3
117.03474	27.9
118.03835	0.7
119.05032	7.7
120.05375	0.3
121.02953	1.6
123.04498	0.4
145.02957	93.3
146.03316	3.3
162.03307	0.6
163.04050	1.2
163.44370	0.4
187.09164	0.4
190.68518	0.3
229.59882	0.3
391.23093	0.3
391.29865	0.4
453.33701	1.3
456.59848	0.4
497.33084	1.8
617.38477	100.0
618.38831	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91250	0.3
61.98827	0.7
64.82445	0.4
69.37906	0.3
73.18193	0.4
82.17533	0.3
98.19866	1.1
98.64110	0.4
117.03481	22.9
118.03812	0.6
119.05047	4.7
119.88525	0.3
121.02965	1.6
123.04552	0.5
145.02968	71.9
146.03294	3.1
153.37369	0.4
162.03256	0.8
163.04031	1.1
173.41505	0.4
201.80502	0.3
215.99342	0.4
259.24686	0.4
268.53705	0.3
427.19852	0.4
453.33820	1.5
497.33142	0.6
617.38513	100.0
618.38873	15.8
618.47046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
58.00603	0.2
59.01387	3.5
61.98833	1.3
69.94997	0.5
69.95405	1.0
71.01382	3.3
71.05059	0.3
71.32072	0.2
72.99338	0.4
73.02946	0.6
78.50668	0.2
79.81110	0.2
80.02685	0.6
81.03471	0.9
83.01403	0.8
83.05029	3.8
84.02168	0.6
85.02945	1.3
87.00896	0.7
89.02451	2.7
95.05024	0.6
95.95252	0.3
96.67329	0.2
96.96005	0.3
97.06557	0.2
101.02443	3.5
101.02985	0.3
113.02445	1.4
119.03502	0.6
123.00854	0.3
125.02454	0.5
125.06141	0.4
125.09737	1.0
127.11302	1.6
133.05113	0.3
134.98645	0.2
135.08191	0.7
139.04025	0.4
145.05148	0.5
153.09171	0.4
161.04559	1.2
163.11298	2.8
165.12857	2.2
165.36128	0.2
169.01454	0.6
171.10283	100.0
172.10645	3.6
174.84729	0.3
181.12306	0.4
191.10825	0.6
209.11841	86.2
210.12172	4.2
225.11447	0.3
227.12889	10.2
228.13261	0.5
235.08224	2.7
253.09296	7.9
254.09860	0.4
363.21762	0.7
398.63974	0.3
407.19409	1.2
445.20743	1.1
573.37299	0.4
581.29486	0.7
617.34802	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	617.115
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03445	10.4
61.98818	2.9
63.39762	1.1
64.22965	1.2
65.00322	3.4
67.01920	1.6
70.90038	3.4
71.01387	2.7
71.18338	1.2
75.00888	1.4
76.76122	1.3
83.01375	2.9
86.19357	1.1
88.98809	4.0
89.02432	1.3
93.03373	1.5
95.01366	3.4
96.95988	4.1
96.96976	1.1
97.02980	1.6
104.02366	1.2
105.27606	1.1
107.01391	9.5
109.02956	4.5
110.00051	1.4
111.00888	2.1
113.02464	1.5
116.92843	1.3
121.02947	3.6
123.00902	8.8
123.04513	5.4
124.01662	5.2
125.02454	98.7
126.02767	4.1
133.02977	10.6
135.04489	1.3
136.98776	1.5
137.02425	4.4
139.00369	4.4
139.03990	2.5
140.01108	2.0
145.00722	1.2
146.03757	2.6
147.04562	2.4
149.02481	11.3
150.03282	8.0
151.00406	14.6
151.04015	13.3
152.01172	10.4
153.01920	2.6
159.04520	2.1
161.02425	2.6
161.06078	4.9
163.00330	5.0
164.01070	1.4
164.74161	1.1
165.01921	5.1
165.05576	3.3
166.99858	2.3
167.03523	5.6
168.00635	2.4
169.01437	55.1
170.01761	2.4
171.04561	2.1
173.02521	1.6
174.03181	3.5
175.04010	10.6
176.01193	8.5
177.01949	9.7
178.99852	6.4
180.04276	1.2
188.04771	2.2
189.05580	21.8
191.03598	1.3
193.05058	3.9
195.06567	5.5
199.03998	2.3
201.01920	1.5
203.03465	1.8
205.01295	1.4
205.04939	1.6
211.02451	3.0
213.05542	1.2
215.03468	2.3
216.04285	2.7
217.05048	48.7
218.02200	4.2
218.05460	2.0
219.02942	4.2
225.04045	1.4
229.01453	1.3
231.03004	3.0
231.06596	4.5
235.06024	1.5
241.05130	3.1
243.03053	1.8
249.04010	6.6
257.01025	1.4
257.04514	1.8
258.05203	1.4
259.06116	37.9
260.06415	2.5
261.04126	1.4
267.03052	2.4
271.04584	4.5
275.01965	4.6
275.05521	2.0
284.03238	5.3
285.04050	74.0
286.04358	4.6
289.03589	2.6
289.06900	2.9
300.99927	14.4
301.03140	1.5
302.00214	1.4
303.04990	2.4
303.08386	1.9
313.05682	32.7
314.06097	1.9
315.01389	2.0
327.05121	5.1
381.08139	2.9
421.11435	11.5
437.11124	3.1
439.08707	4.3
447.09354	32.7
448.09512	3.2
463.08868	13.4
465.10538	29.0
466.10938	1.2
481.10095	1.7
491.08151	1.6
531.11401	2.8
555.20844	3.1
559.18494	2.3
573.12598	18.6
574.12549	2.6
599.10431	40.0
600.10486	6.6
617.11469	100.0
618.11432	11.1
630.86755	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	616.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.9
59.21001	1.3
60.47908	1.3
61.98826	5.6
69.29811	12.3
69.95698	1.3
71.01383	2.8
89.02468	1.7
95.01391	2.0
96.96016	2.9
101.02441	1.4
107.01402	2.7
111.00885	2.2
113.02448	1.3
123.00948	8.9
125.02447	15.6
139.00388	3.0
140.01180	2.4
140.02231	1.3
141.01920	1.4
151.00375	6.9
151.04102	2.0
165.01906	2.0
168.00655	3.4
169.01454	20.4
176.63261	1.4
181.05202	1.3
211.02458	5.7
247.17209	1.3
271.04620	7.9
275.01947	2.5
301.00037	7.5
302.00204	2.0
313.05798	1.5
338.80124	1.3
454.18848	1.8
523.17792	2.9
553.19324	100.0
554.19745	11.2
584.81750	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	617.1146
Annotation	Taxillusin
Peak:m/z	Relative Intensity
51.87667	1.2
57.03452	7.9
59.01379	2.0
65.00327	3.7
69.26191	15.0
71.01369	2.7
79.95707	2.5
80.24061	1.3
81.78677	1.2
83.01389	6.5
90.00262	1.3
93.03407	1.4
95.01368	1.4
96.95999	6.0
101.02451	1.9
107.01418	8.1
109.02941	2.0
111.00901	2.4
121.02978	2.9
123.00900	6.9
123.04536	3.9
124.01723	1.9
125.02453	100.0
126.02825	2.3
127.00484	1.6
137.02451	2.1
139.00319	2.4
139.04002	2.4
149.02437	9.1
151.00372	24.0
151.03989	3.4
152.01172	2.6
153.01936	17.1
160.16693	1.4
161.02469	3.1
163.00372	13.9
165.02014	2.9
165.09236	2.2
168.00632	6.6
169.01428	52.9
170.01804	1.5
175.00444	2.0
175.04022	10.7
176.01158	2.3
177.01918	14.7
178.99873	7.1
188.04770	1.9
189.05540	3.5
199.03979	5.8
201.01909	2.1
211.02354	6.7
215.03345	1.4
217.05020	7.3
230.84462	1.5
231.02988	2.0
231.06766	1.5
241.05255	2.8
245.04837	4.7
256.03635	1.7
257.04611	1.6
261.22687	1.7
267.02887	1.4
271.04596	5.4
273.00281	1.6
275.02206	2.4
275.05609	7.4
284.03290	8.2
285.04062	31.8
289.07001	1.9
299.05518	1.6
301.00043	10.6
302.00494	1.7
303.05093	14.0
313.05670	43.5
313.09329	2.5
327.05090	3.9
361.73618	1.5
439.08798	5.5
465.06787	5.4
466.07318	4.8
467.08249	2.1
477.06696	4.3
490.93906	1.5
493.06219	6.8
554.19727	4.4
555.20715	1.7
589.12079	13.6
590.12048	2.0
599.10468	42.8
600.10571	5.3
617.11493	78.3
618.11914	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	615.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.4
59.01381	1.4
61.98834	3.7
67.01898	0.9
67.03000	0.4
69.39869	2.6
69.40282	0.9
71.01404	0.9
72.08030	0.4
72.99322	0.9
73.02963	0.4
74.03087	0.4
83.01387	0.6
83.08921	0.3
85.02944	0.4
88.98816	3.6
89.02450	0.9
96.96024	2.5
101.02445	0.9
106.14594	0.5
107.01415	1.1
109.02964	1.0
111.01997	0.5
121.02955	0.6
122.03740	0.6
123.00907	1.1
123.04526	0.6
125.02458	3.1
135.04544	1.2
136.01691	0.7
137.02460	19.5
139.04001	0.7
150.03235	1.6
151.00375	1.5
151.04063	1.2
151.98322	0.4
152.04797	1.0
161.02501	1.0
162.03175	0.4
163.04085	0.6
164.01172	1.5
164.04831	0.4
165.01939	100.0
165.05560	3.1
166.02284	2.9
169.01440	2.2
175.04034	0.5
175.14366	0.4
179.03525	12.8
180.04294	58.2
181.04707	2.8
194.05931	2.7
195.03030	2.5
195.06631	81.5
196.07013	3.7
210.05347	13.2
211.05716	0.7
225.07697	80.6
226.08020	3.9
242.09543	0.6
247.02419	1.0
257.11868	0.7
259.06195	1.1
269.04514	1.1
270.08957	0.9
271.02350	0.7
285.11371	1.4
287.05490	0.9
298.08347	0.6
299.09210	1.4
300.02853	1.3
301.03555	0.5
310.08685	0.5
313.10672	0.6
314.07928	1.0
325.10699	0.5
329.10260	3.1
330.10703	0.4
341.10349	5.6
344.12723	4.4
345.13208	0.5
356.12668	1.8
357.13226	0.5
359.15005	13.0
360.15192	1.4
371.14993	9.8
372.15161	0.7
389.15921	0.8
399.97675	0.5
463.08472	0.6
537.21521	0.6
552.25476	0.6
553.22748	0.5
567.22424	1.4
615.20355	3.4
615.33026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62753	0.5
57.03431	0.6
59.01365	0.8
61.35603	0.5
61.98840	3.5
69.60245	2.9
69.60661	1.1
79.95745	4.7
83.16149	0.5
85.82751	0.5
95.95257	2.3
96.96014	100.0
107.01400	1.1
123.00894	0.7
125.02454	1.0
126.54728	0.6
137.02446	0.5
138.97057	1.8
151.00381	2.7
169.01379	1.0
178.99899	1.8
227.03377	0.6
236.04591	0.6
243.03041	3.0
254.02144	0.6
255.03008	8.5
256.03284	0.8
271.02460	20.8
271.05389	1.1
272.02975	1.5
273.07990	6.5
286.04205	0.6
291.09024	5.4
299.01978	0.6
300.02750	41.7
301.03369	6.7
333.10110	8.9
363.11084	1.7
382.14227	0.6
393.12241	13.3
394.12515	0.7
435.13254	2.4
453.14355	57.3
454.14874	6.1
463.08841	4.7
464.09174	0.6
479.08640	0.6
487.40787	0.7
579.13556	34.2
580.14270	4.1
615.10730	1.4
615.19568	23.9
616.19720	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	615.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
60.36086	1.0
60.99310	12.4
61.98829	2.4
65.00332	1.0
67.01884	1.0
69.50359	7.2
71.01392	2.8
76.87762	0.8
78.35517	0.8
85.02943	1.3
88.98812	81.7
93.37482	0.8
94.48040	0.8
96.96038	1.5
101.02425	1.8
101.32386	1.0
101.45785	0.8
107.01386	2.8
109.02940	1.5
111.00884	1.5
113.02455	1.3
123.00867	9.4
125.02455	11.3
135.04495	1.1
136.98781	1.5
137.02441	3.4
139.00378	3.6
140.01161	2.9
141.01947	0.9
149.02507	1.1
150.03221	3.2
151.00378	14.9
151.03946	1.1
165.05568	3.7
168.00645	2.9
169.01410	14.2
178.99863	4.0
195.06638	2.0
211.02696	0.8
255.02998	1.2
271.02307	4.0
289.06976	0.9
300.02679	5.6
301.03470	2.2
313.05582	2.0
317.02966	15.9
318.03445	1.1
423.37180	0.9
463.09003	2.7
525.23438	100.0
526.23920	14.3
567.22461	1.0
597.25433	2.3
615.10034	11.5
615.26276	3.6
616.10303	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	615.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.07349	0.5
61.98829	3.5
64.41658	0.6
67.01911	0.8
69.48157	4.7
71.01373	1.1
79.01901	1.0
85.02950	0.7
88.98846	1.2
93.32224	0.6
96.96024	1.7
97.26263	0.6
98.20741	0.5
99.00845	0.7
107.01373	0.8
107.45596	0.7
109.02925	1.2
117.03426	0.8
119.05054	1.8
120.05343	0.7
121.02962	1.0
123.00882	2.5
125.02460	7.8
126.02799	2.3
133.02980	2.1
135.04565	2.9
136.01643	2.1
137.02458	18.4
139.04095	0.9
147.00890	0.6
150.03249	1.7
151.00389	1.9
151.04010	1.7
153.05562	2.7
154.05948	0.8
155.06079	0.7
161.02469	10.9
162.02892	0.6
163.04033	1.0
164.01126	2.8
165.01942	100.0
165.05626	1.9
166.02332	3.0
169.01431	9.0
170.01767	2.5
171.01942	2.0
179.03510	28.5
179.07011	2.8
180.04295	54.5
181.04755	1.2
193.05017	0.7
194.05833	4.8
195.03044	2.7
195.06635	73.6
196.07007	2.5
197.04567	0.7
210.05331	11.4
225.07695	65.0
226.08083	2.5
247.02470	1.1
270.09036	1.1
276.39828	0.6
280.12906	0.6
283.09824	1.1
285.07703	0.7
285.11331	1.5
293.46466	0.6
298.08530	0.9
299.09262	3.1
299.12564	0.7
300.09692	1.6
301.10065	1.3
310.87830	0.6
311.09082	1.1
313.05731	2.6
313.11017	0.9
314.06107	2.4
314.39639	0.6
315.06104	3.8
325.10739	0.7
326.11511	0.9
327.12433	1.7
328.13040	4.3
329.10419	4.4
330.11191	1.1
341.10254	4.9
343.15588	1.4
344.12695	5.3
345.13382	1.1
355.11612	0.7
356.12781	1.9
359.15057	17.3
360.15292	2.6
371.15042	14.3
372.15558	1.1
387.15222	0.7
387.60284	0.6
389.16037	1.1
463.08746	1.0
468.12415	1.9
469.12448	3.8
507.16318	0.9
535.25476	3.3
537.22058	4.3
552.19910	0.9
567.22400	44.7
568.22729	6.7
615.14935	10.3
615.26019	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	615.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63852	1.3
59.01381	6.9
61.98831	10.9
66.86060	1.2
66.93639	1.2
67.01875	1.8
69.30580	2.9
69.30988	9.2
71.01389	9.4
71.82745	1.3
72.99300	3.0
73.02914	1.9
83.01363	3.1
85.02969	2.4
85.06573	7.6
87.00882	2.7
88.98819	3.0
89.02437	2.6
93.03445	3.4
95.01411	2.1
95.05050	4.3
96.96016	5.0
97.02946	2.3
101.02448	2.8
107.01384	11.7
109.02919	1.5
109.06573	2.6
109.08444	1.1
111.00834	3.6
111.01984	1.3
111.04486	3.5
111.48666	1.2
113.02446	3.1
113.22696	1.4
119.05013	5.4
120.99696	1.7
123.00899	11.0
123.01679	1.9
123.04578	1.4
124.01694	2.0
125.02460	59.9
133.02963	3.1
135.04503	5.5
137.02414	3.4
137.06079	1.8
138.03241	2.0
139.00346	3.9
139.04015	2.9
140.01108	2.8
149.06010	1.8
150.03207	1.5
151.00345	14.4
151.04019	1.8
151.07695	9.0
152.04849	2.8
153.01996	1.7
153.05586	64.6
161.02455	16.5
161.04546	1.5
165.01848	4.1
165.05569	3.2
167.03444	1.4
168.00636	4.8
169.01431	86.5
170.01814	3.0
174.96767	1.3
177.05574	4.9
178.99832	1.5
179.03481	5.8
180.04274	1.6
193.01413	1.4
194.02768	1.5
195.06644	32.6
196.06973	1.8
207.06596	2.8
208.03777	1.8
211.02478	8.9
223.06064	5.2
225.07574	2.1
241.03360	3.7
243.02988	2.1
255.02921	5.9
271.02164	10.5
271.04684	5.7
299.99265	2.5
300.02744	26.1
301.00104	2.6
301.03455	7.6
301.10837	14.6
313.05655	47.4
314.06027	1.8
377.83865	1.5
433.06732	1.3
463.08795	15.2
463.25024	2.4
464.08847	1.5
467.11945	100.0
468.12286	8.4
525.19745	1.9
535.25470	7.0
556.94025	1.7
597.14410	1.4
597.73285	1.4
615.17126	86.2
615.27161	5.2
616.17444	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	615.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01381	7.6
60.99316	0.7
61.98833	57.0
65.00314	5.1
65.79213	0.6
67.01902	1.1
69.03451	1.3
71.01388	6.4
71.61089	1.2
73.02958	1.9
74.99148	0.7
75.11780	0.6
79.01900	0.6
79.95753	1.2
80.91684	0.8
81.03458	1.0
83.01402	2.2
85.02953	3.1
87.00883	0.8
88.98815	2.4
89.00351	1.3
89.02460	2.9
89.13847	0.5
91.01941	1.7
93.03467	1.1
95.01378	1.5
95.05029	1.1
96.96016	12.6
97.02947	5.3
99.00851	0.9
99.04539	1.0
99.92608	0.7
101.01882	0.8
101.02452	4.1
103.03957	0.6
107.01396	28.3
107.05058	0.8
109.02946	5.0
110.00093	0.7
111.00892	1.6
113.02435	3.2
116.92902	1.4
119.03526	0.7
119.05020	1.1
121.02957	5.1
122.03728	1.3
123.00888	5.7
123.04562	1.5
124.01681	1.8
125.02454	26.8
125.09683	0.7
126.02801	1.1
133.02966	2.9
134.03728	1.8
135.04530	100.0
136.04846	3.3
137.02440	6.9
137.06099	1.0
139.00392	2.7
139.04034	6.7
139.07600	0.7
140.01176	1.2
141.01984	0.8
145.02951	1.5
149.02426	6.2
149.99527	0.8
150.03247	10.0
151.00398	10.4
151.03957	2.3
152.04813	1.5
153.01952	1.7
153.05592	1.7
159.04520	1.0
161.02443	11.0
161.04520	0.9
163.04037	0.9
164.01202	1.1
164.04770	2.2
165.01936	63.8
165.05574	12.1
166.02428	2.4
168.00641	1.3
169.01437	30.1
170.01740	1.0
171.10303	3.7
177.01938	1.4
179.03503	10.5
179.07037	1.6
180.04303	10.8
181.04996	2.1
183.02971	1.2
183.10182	1.5
189.01993	0.7
190.02744	1.2
191.03467	1.8
191.07019	0.8
192.04138	1.0
193.01405	1.0
193.05011	2.5
194.05797	2.9
194.99365	26.1
195.06630	22.0
195.99855	1.2
196.06949	0.7
207.06648	1.1
207.10182	0.8
209.08255	4.4
209.11775	0.7
209.97939	0.7
210.05290	3.0
211.02524	1.0
214.19240	0.6
219.02977	2.9
223.09653	0.6
225.07719	10.6
225.11304	2.5
226.08067	0.7
227.07085	1.6
247.02429	1.2
276.36176	0.6
283.09952	0.8
287.05646	2.0
299.99054	1.1
300.02655	1.3
301.04184	1.3
301.07178	37.0
301.20218	0.7
302.07495	1.8
305.02881	0.9
313.00098	1.0
313.05667	26.1
314.05801	1.4
339.03561	9.6
340.03836	1.1
344.12289	1.2
359.15018	3.6
365.05060	3.3
371.14926	2.1
389.15884	0.7
423.09280	1.5
425.07452	1.2
435.08713	1.0
449.11029	3.1
451.24048	0.9
452.23370	1.2
453.23822	1.0
463.12546	21.4
464.12674	2.1
475.08795	25.3
476.08618	1.6
535.21997	1.0
552.24792	2.9
553.25604	2.2
567.22351	8.2
568.22675	0.8
615.13342	51.2
615.22272	2.5
615.30902	3.9
616.13794	5.8
616.23090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
60.99290	0.2
61.98835	100.0
65.84789	0.2
67.68147	0.1
69.40387	1.4
71.01377	0.4
75.96631	0.2
76.40458	0.2
84.97990	0.2
88.98829	0.8
89.02457	0.2
92.02418	0.2
93.03475	0.3
95.01369	0.2
96.96033	0.6
97.52092	0.2
98.20586	0.3
101.02418	0.3
107.01367	0.2
110.02480	0.3
119.05021	0.2
123.00864	0.4
125.02477	0.6
132.75278	0.1
135.04573	0.4
137.02507	0.2
151.00404	0.6
152.04813	0.2
161.02478	0.5
165.01942	0.3
165.05608	0.2
166.73642	0.2
169.01428	0.8
170.01781	0.2
179.03621	0.4
183.10303	0.6
184.10606	0.4
193.05049	0.2
195.06693	0.4
229.05083	0.4
524.22498	0.5
551.25403	1.2
614.31335	0.6
615.31012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0992
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
58.11453	0.9
59.10558	0.8
64.77744	0.9
65.00333	1.4
69.59479	6.0
71.01376	0.9
79.77991	0.9
99.39199	1.0
107.01393	5.5
110.02939	0.9
121.02963	1.2
123.00874	3.3
124.01717	1.1
125.02454	15.6
130.75508	1.0
148.01669	1.3
151.00388	13.2
163.00302	1.4
168.00592	1.0
169.01450	17.7
178.99898	7.5
211.02321	1.1
243.02966	5.4
254.02232	2.6
255.00497	1.4
255.03000	18.8
256.03293	1.6
271.02448	39.8
272.02914	3.4
283.02527	1.5
300.02753	100.0
301.03476	35.8
302.03860	2.8
313.05548	3.2
392.80804	1.0
398.04333	1.0
463.08835	40.6
464.09174	3.6
615.09888	65.9
616.10016	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	613.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.0
62.91774	2.7
69.38919	2.3
70.17982	11.2
71.01388	18.3
72.99318	2.6
82.68552	2.4
85.02934	6.6
87.00871	2.8
89.02448	24.2
93.03416	3.1
95.01382	3.6
96.95985	5.4
98.20571	2.5
101.02440	15.7
107.01397	2.7
109.02956	5.0
111.00892	4.4
113.02433	11.0
119.03503	11.2
123.00890	8.0
123.04572	4.4
125.02449	22.0
135.02817	2.6
135.04576	3.7
137.02441	5.7
147.04532	4.3
151.00430	3.8
151.04025	5.4
166.99763	2.9
168.00552	3.4
169.01427	20.7
175.03937	4.2
177.01833	3.5
179.03532	4.2
190.02673	3.4
191.03482	3.0
201.01907	4.6
203.03432	9.4
211.02394	3.6
213.38219	3.3
218.02130	4.6
219.02930	3.1
228.00569	3.2
229.01311	6.9
230.01993	2.7
231.02986	7.3
245.01003	3.9
247.02420	4.6
249.04005	9.6
257.00916	9.0
258.01694	4.1
271.04541	5.4
273.00443	10.4
274.01175	18.7
275.01971	86.4
276.02292	2.9
283.98920	3.1
289.07187	6.8
298.98340	3.6
299.99185	12.4
300.99902	52.5
302.00192	9.9
305.75580	2.8
313.05069	3.0
323.13477	100.0
324.13995	4.6
371.00348	6.5
391.53668	3.5
437.07071	5.2
443.02383	8.7
451.05005	30.2
452.05719	3.4
461.03131	4.1
461.12851	9.3
467.53229	4.1
491.74002	2.5
523.01050	4.9
613.03961	12.0
613.12512	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	614.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53742	0.2
54.99638	0.2
59.01369	1.4
59.18848	0.2
61.77185	0.2
61.98835	100.0
65.53837	0.2
67.35068	0.3
69.31200	2.5
71.01397	0.5
82.77425	0.2
85.02977	0.6
88.98805	0.4
89.02475	0.4
89.41276	0.3
96.96014	1.6
98.95624	0.3
101.02444	0.4
109.02969	0.3
113.02440	0.3
119.03478	0.3
122.03789	0.3
123.00869	0.5
125.02473	1.4
135.04547	0.5
139.00438	0.3
139.04037	0.4
149.02408	0.4
150.03270	1.2
151.00432	0.9
151.03642	0.3
153.01886	0.4
161.02477	0.6
165.05589	1.6
166.05927	0.4
168.00679	0.4
169.01440	1.0
171.10355	0.3
176.03598	0.4
179.03560	0.3
180.04329	0.4
183.10153	0.3
194.33388	0.3
195.06679	0.9
196.06929	0.6
207.10236	0.3
276.23456	0.3
313.05765	0.3
418.16098	0.4
451.24063	0.3
452.23691	0.5
551.24884	2.9
552.25818	0.4
566.20581	0.3
614.29065	0.7
615.34979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	37.5
60.02095	11.1
60.99296	12.8
61.98829	28.8
69.22126	14.8
71.01384	20.4
71.61704	14.3
88.98815	90.4
89.02445	15.9
93.03446	14.0
96.96000	82.6
101.02435	14.2
107.01402	20.1
109.02966	21.4
111.00902	11.8
123.00891	28.5
125.02468	100.0
137.02438	13.8
139.00415	18.7
145.03030	14.8
149.02412	33.5
150.03224	39.5
152.04744	12.7
165.05574	71.8
169.01430	82.5
171.41182	13.8
195.06647	18.5
200.62038	13.5
300.99966	18.3
304.30566	12.0
382.52332	12.4
383.28412	12.2
403.13721	14.4
463.08713	15.9
470.07312	16.6
523.21521	98.7
524.17926	12.6
565.20746	20.3
605.67487	12.9
613.24506	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12663	1.4
69.50513	4.0
69.50933	9.1
70.55373	1.8
73.78286	1.4
79.95747	1.6
96.96021	100.0
113.09709	3.6
125.02468	4.0
159.10275	13.5
194.00780	1.4
209.80862	1.8
239.05968	92.4
240.06586	2.5
300.99823	4.9
361.32040	1.6
451.12598	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	613.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94523	0.6
57.03453	1.2
57.87957	0.7
59.01386	7.0
60.99310	2.9
61.98832	28.3
65.00343	0.7
68.89098	0.8
69.62720	2.0
69.63133	2.6
71.01400	3.6
72.99322	1.1
73.02943	1.8
75.00871	0.6
79.95735	1.1
83.01402	1.6
85.02966	1.8
87.00878	0.9
88.98813	20.7
88.99338	1.3
89.02482	1.7
89.26969	0.7
93.03424	0.6
95.01426	1.3
96.96020	6.7
96.97018	0.8
97.63577	0.6
101.02463	2.6
107.01392	1.6
107.05077	0.8
110.76754	0.6
111.00905	0.8
113.02486	1.0
117.03468	1.2
123.00883	3.4
125.01610	1.3
125.02457	10.4
132.02205	1.3
133.02963	23.9
134.03392	0.7
135.04539	12.9
137.02441	2.4
139.00449	1.2
139.04025	1.2
140.01164	1.2
149.02513	0.9
150.03229	1.1
151.00349	4.2
152.00690	1.2
152.27460	0.8
161.02451	100.0
162.02827	4.0
163.03967	0.8
164.04768	1.4
165.01976	3.4
165.05571	3.2
168.00626	1.1
169.01442	9.4
176.03484	1.3
177.03973	0.8
179.03500	6.9
179.07106	1.6
180.04250	1.4
181.05006	0.9
183.10307	1.3
194.05791	0.9
195.06612	2.9
211.02484	1.3
225.07666	0.9
245.04387	0.9
271.04630	0.9
287.05573	1.7
288.05951	1.2
313.05750	1.7
327.28790	0.7
439.08664	0.8
451.23273	3.5
523.21881	14.5
524.22162	1.7
533.23969	33.6
534.24591	4.1
550.16357	2.6
550.23706	3.1
551.25470	5.5
613.19507	54.0
613.28882	7.8
614.19855	5.6
614.28436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.9
59.01392	2.0
61.98839	6.4
69.03456	1.1
69.26963	3.0
69.27392	3.3
69.58811	0.7
71.01389	5.7
73.02929	1.4
79.01898	12.0
85.02977	1.3
85.06605	1.5
88.98838	3.7
91.05563	1.3
93.03487	3.9
96.96011	1.3
97.02941	2.1
98.20626	1.6
101.02448	1.8
107.01392	9.7
109.02937	0.8
111.00885	1.6
111.04523	3.7
113.02402	0.9
117.03461	1.8
119.05040	20.7
123.00891	8.3
124.01689	1.0
125.02458	65.9
126.02820	1.1
133.02985	0.8
135.04541	13.6
136.98840	1.7
137.02446	1.3
139.00372	3.4
140.01173	2.1
141.01875	0.9
145.02945	5.6
151.00380	5.9
151.03973	2.0
153.02055	1.1
153.05588	32.3
154.05884	1.4
161.02501	1.0
165.01958	1.5
165.05652	0.9
167.03532	0.7
168.00648	4.3
169.01434	98.0
170.01776	2.5
179.03511	27.3
180.03963	0.8
193.05110	4.4
195.06609	1.3
205.05061	3.7
211.02492	5.9
223.02576	1.1
225.07623	0.8
241.03596	3.9
255.10162	1.0
271.04535	3.8
299.09253	29.8
300.09583	1.9
301.96262	0.7
313.05679	84.8
314.05975	3.8
356.58044	0.6
451.10461	1.4
467.11957	50.7
468.12378	4.2
493.09869	3.2
519.11633	7.5
520.12189	1.0
523.22217	1.4
573.28387	0.7
577.16437	1.1
613.15668	100.0
614.15839	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48648	5.0
57.03448	7.2
58.94771	4.0
61.46139	5.1
61.57594	4.9
70.12466	19.9
83.01423	6.2
87.00902	5.2
95.01374	6.0
96.96033	11.6
109.02959	24.0
111.00883	6.6
118.51208	4.9
121.02958	9.1
123.00891	10.8
123.04538	15.7
125.02461	100.0
137.02448	24.2
145.02962	8.5
147.04529	6.0
149.02428	4.9
151.04004	19.8
159.04509	4.5
161.02483	30.7
166.02654	4.6
167.03590	6.8
169.01447	26.6
169.45470	4.4
173.02364	7.7
175.04015	14.8
177.01865	5.7
179.03508	9.5
187.03966	12.5
191.03413	9.1
203.03542	13.0
203.07152	13.2
205.05083	9.8
217.01497	5.7
218.43069	6.3
229.01595	7.9
229.04907	5.2
231.03006	10.7
243.02893	5.6
245.04529	8.2
245.08191	15.4
247.02451	9.7
249.04070	20.1
255.03001	13.7
257.00980	10.1
275.01968	21.7
287.05710	15.1
289.07199	64.4
290.07434	12.5
299.05551	6.7
300.99924	74.5
302.00314	8.8
407.07703	47.5
423.04077	5.0
425.08954	35.1
450.99542	6.7
451.10178	15.6
461.13239	6.7
468.53162	7.6
543.36908	5.6
547.53986	5.0
577.13629	26.1
579.42328	4.9
595.04132	6.1
613.04718	19.7
613.14148	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	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04765	0.8
51.52267	0.9
53.28892	0.8
57.03455	6.0
59.01384	61.7
61.98835	43.4
66.89640	0.8
69.03463	6.8
69.33069	1.7
69.33479	6.7
71.01389	12.3
71.05035	1.4
72.99306	1.5
73.02946	2.5
83.01388	1.5
83.04967	0.8
85.02957	4.5
87.00852	1.7
88.98813	4.3
89.02449	5.4
95.01402	1.7
95.05051	1.2
96.96025	8.3
97.02930	1.6
99.00899	1.6
101.02462	6.9
109.02954	0.9
111.66882	0.9
113.02456	5.1
113.06040	1.1
119.03506	2.4
123.00879	0.9
123.04523	3.1
123.08134	1.4
125.02487	4.8
135.04503	1.0
135.08163	1.0
136.05264	1.0
137.02475	1.0
137.06030	2.0
138.06880	3.1
139.07672	1.5
139.11301	16.8
151.00388	1.9
151.07640	3.1
151.11302	1.0
152.08401	3.6
152.99625	1.1
153.09222	19.6
161.02405	1.3
161.04570	7.9
161.09717	1.6
163.11287	2.4
165.09222	2.4
167.07162	0.9
168.00580	0.8
169.01437	4.2
175.02679	1.1
176.03505	6.8
179.10779	22.1
180.11041	1.9
183.10277	100.0
184.10553	4.0
187.11322	1.4
189.09164	0.9
190.09917	1.3
197.11757	1.8
203.10680	1.5
205.12337	20.6
206.12776	0.8
223.13425	9.0
223.40053	0.8
225.11285	2.2
271.04373	1.1
299.99164	1.6
301.00061	1.6
385.18695	15.5
405.21469	1.2
435.13382	1.9
449.21359	1.4
521.19965	1.2
532.22070	3.3
548.21692	1.2
549.23236	6.5
551.28589	1.7
611.13580	1.2
611.30817	12.6
612.17755	1.9
612.31116	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	611.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36776	34.0
70.59007	36.6
70.59338	100.0
87.43407	33.7
131.01595	36.0
238.18619	33.3
292.14746	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27647	0.7
59.01379	1.4
60.99310	0.7
61.98836	100.0
66.96978	0.7
69.90885	0.7
71.61314	0.9
78.68111	0.6
88.98824	5.1
89.02448	1.4
92.21444	0.7
94.14170	0.6
96.96004	3.4
101.02471	0.8
120.99693	0.8
123.00839	1.3
125.02459	1.7
132.02200	0.8
137.02473	0.9
161.02521	0.9
165.01938	0.9
169.01463	2.1
177.09618	0.7
178.99930	1.5
195.06656	1.1
211.02420	0.8
227.03499	19.1
229.04968	0.7
255.03000	31.2
256.03601	3.6
257.04547	1.4
271.04553	0.7
284.03284	51.4
285.03970	11.4
291.21222	0.7
299.99231	0.8
300.99899	2.1
302.00497	0.9
326.01474	0.8
479.96481	0.7
549.12543	70.4
550.12720	6.9
611.34113	0.9
612.11273	1.3
612.20599	1.4
620.50287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.5
59.01382	50.8
60.99304	1.5
61.98832	15.5
65.70525	0.6
66.87687	0.6
69.03455	5.7
69.68500	1.6
69.68911	2.5
71.01389	9.3
71.05038	0.9
72.99315	0.9
73.02953	3.0
83.01376	1.2
83.05031	0.7
85.02963	2.7
87.00876	0.8
88.98820	6.7
89.02439	2.9
95.01387	0.9
96.95998	2.5
97.02962	0.8
99.00868	0.9
99.04453	0.6
101.02445	4.8
107.01363	0.9
111.08157	0.7
113.02453	4.5
113.06078	0.7
119.03519	1.3
119.05020	1.1
119.46319	0.6
121.10334	0.8
123.00879	1.9
123.04520	1.0
123.08167	1.5
125.02455	3.8
125.06088	0.6
125.09712	2.1
127.07603	0.7
133.02988	1.1
135.04529	1.8
135.81471	0.6
138.06856	3.1
139.00418	1.2
139.07634	1.4
139.11296	19.3
143.03532	0.8
145.02939	1.1
147.04593	1.0
151.07628	3.0
152.08440	2.9
153.09229	13.4
159.03099	0.7
159.04321	0.7
161.02477	1.3
161.04636	4.1
161.05798	1.0
163.03999	1.2
163.11177	0.9
165.01926	0.8
165.05609	1.0
165.09282	1.2
166.09138	0.6
168.00589	0.8
169.01427	2.5
173.02388	1.0
173.23317	0.7
175.04036	1.6
179.03508	1.5
179.05669	1.0
179.10811	2.7
181.12402	1.5
183.10268	100.0
184.10571	4.3
193.05113	0.9
197.11794	1.1
201.01906	1.7
203.03531	1.9
205.12300	5.7
214.02650	0.7
217.45834	0.7
223.13420	9.1
225.11391	1.8
229.01358	3.7
231.03020	1.6
243.12390	1.9
245.01033	0.8
249.04092	1.5
253.09277	0.9
257.00961	3.3
258.01624	1.5
259.99414	0.7
275.01993	13.0
275.48428	0.6
276.02240	1.0
283.02457	0.6
283.99658	0.8
287.22348	1.9
299.99380	1.1
300.99896	31.2
302.00287	1.7
303.08701	1.2
331.22668	1.1
367.17725	1.8
375.21802	6.1
376.21945	0.7
385.18665	11.3
385.23306	1.0
386.19235	1.1
393.22824	2.2
549.23138	3.8
551.28839	2.4
576.04877	0.7
593.29791	1.3
594.05780	0.7
611.10406	12.9
611.30774	26.8
611.64136	0.7
612.10693	1.7
612.31073	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	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74875	1.5
51.09516	1.3
57.03460	7.2
59.01368	5.0
60.54861	1.4
60.99311	9.3
61.21772	1.4
61.98833	7.1
64.48717	1.3
65.00309	6.9
66.42731	1.3
67.20515	1.5
69.46587	3.0
69.46992	7.5
71.01390	5.4
72.43007	1.5
77.87998	1.5
83.01395	6.2
85.02942	2.4
87.20658	1.4
88.98814	54.7
89.02444	2.4
93.03468	2.3
95.01382	2.3
101.02464	2.1
107.01405	9.6
109.02950	3.6
111.01991	1.6
113.02505	1.7
121.02962	2.3
123.00886	3.1
123.04535	6.0
124.01651	3.1
125.02457	100.0
126.02773	2.8
135.04549	1.8
137.02458	4.3
139.00369	1.8
139.04041	2.2
140.01170	1.7
145.02975	5.8
147.04535	1.7
149.02467	10.6
150.03162	2.4
151.00388	30.5
151.03975	2.7
152.01114	2.6
153.01956	35.2
161.02429	5.1
163.00363	2.1
163.04015	1.7
165.01974	11.0
167.03548	3.5
168.00644	5.2
169.01456	21.9
174.03178	3.1
175.00336	2.7
175.04059	9.5
177.01930	23.9
178.99878	18.5
179.03455	1.9
180.04300	7.2
181.01405	3.2
183.02989	2.1
188.04817	3.4
189.05605	2.8
191.03461	2.7
195.02989	2.0
195.06644	17.2
199.04019	6.0
201.01947	2.3
211.02502	30.2
213.14929	13.5
217.05096	7.2
241.04990	5.2
243.08687	2.5
259.06094	2.9
271.04602	58.9
271.07532	3.4
272.05032	2.4
275.05661	19.6
285.04071	55.6
286.04391	4.0
299.05469	4.4
303.05115	72.5
304.05429	5.3
309.04147	2.1
309.30392	1.4
327.04980	1.9
331.06720	22.3
397.13406	3.3
461.10880	8.3
487.08734	5.7
521.20355	32.3
522.20636	4.5
548.21881	4.9
549.23260	2.3
583.14594	6.6
593.12946	2.6
638.79663	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	611.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98829	3.1
63.47414	0.4
70.25217	1.7
71.01400	0.5
82.75918	0.4
91.08379	0.4
98.19898	0.4
113.02477	0.4
151.00403	0.6
151.03999	0.4
160.69138	0.4
161.04582	0.7
169.01488	0.8
270.08826	0.6
285.11414	1.3
298.08472	0.6
299.09232	1.0
300.99921	0.6
313.10892	0.6
314.08026	1.1
318.02847	0.7
324.09988	0.5
325.10931	0.6
329.10175	3.1
341.10315	4.2
344.12604	5.7
344.15994	0.5
356.12610	1.9
359.14984	17.9
360.15482	1.6
371.15005	13.0
372.15421	0.5
389.16306	0.5
399.13025	0.5
422.40680	0.4
611.14270	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	611.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.4
59.20177	0.5
59.30828	0.6
61.98832	8.9
63.02375	0.8
64.75013	0.5
65.00336	1.1
65.52551	0.7
71.01375	1.3
71.34253	0.6
71.80499	0.6
76.25975	0.7
80.96516	2.4
95.01351	0.7
96.96019	1.7
105.92657	0.6
107.01389	2.6
108.02190	2.0
109.02943	1.4
119.01422	0.7
121.02946	1.2
125.02430	1.5
135.00899	0.7
139.04037	0.6
147.35071	0.6
148.01698	1.1
151.00366	7.5
163.00345	2.5
169.01443	1.7
172.05191	0.7
178.99887	3.4
187.03976	0.7
199.03946	1.7
201.02014	1.0
201.72310	0.6
209.11787	1.4
211.03984	1.4
215.03552	1.4
226.02701	4.9
227.03514	4.4
228.04060	0.6
228.73730	0.6
229.01370	0.6
243.03001	18.4
244.03439	0.9
254.02284	5.2
255.02968	23.6
256.03464	1.8
271.02478	83.7
272.02948	5.8
273.03940	0.8
283.02325	0.8
299.01968	1.6
300.02750	100.0
301.03445	32.0
302.03879	1.7
343.04330	1.2
375.21735	0.7
442.14209	0.7
445.07492	1.0
449.32776	1.0
463.08865	9.2
464.09018	0.9
498.09009	0.6
544.37177	0.9
549.23944	0.8
593.29944	0.7
611.17749	78.6
611.27271	4.5
611.38123	1.9
612.18066	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
60.35616	1.6
60.99318	14.4
61.98828	3.0
68.51884	1.5
69.39754	13.5
69.40125	3.6
71.01394	2.5
84.93353	1.5
88.98811	80.6
96.96001	4.4
98.20648	2.8
98.46246	1.7
100.36714	1.4
107.01409	2.4
111.00854	1.7
123.00893	3.8
125.02445	21.0
137.09718	1.9
138.00003	1.5
140.01221	2.1
151.00420	2.3
168.00662	10.7
169.01424	31.8
175.02490	2.2
191.89590	1.6
194.47774	1.5
211.02490	47.2
271.04590	100.0
272.04892	3.8
311.51428	1.8
331.06717	31.7
332.07092	1.9
521.20349	62.7
522.20825	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	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.5
59.01371	2.9
60.99310	7.2
61.98833	5.8
63.02373	1.6
65.00327	5.4
68.99788	0.9
69.62388	6.3
71.01380	2.2
73.61110	0.8
83.01393	5.5
88.98244	1.7
88.98811	31.8
93.03464	1.4
95.01411	1.3
96.96017	2.6
101.02465	1.2
107.01405	9.8
109.02949	4.1
111.00906	1.3
111.02001	1.1
113.02492	1.3
117.03489	1.9
119.05028	2.3
121.02888	2.2
123.00870	2.1
123.04508	3.6
123.49638	0.9
124.01692	1.9
125.02457	100.0
126.02792	3.6
126.90482	1.1
131.01372	1.2
133.02971	1.3
135.04553	1.3
137.02443	3.4
139.03999	3.8
140.01129	1.0
145.02989	5.0
147.04547	2.1
149.02457	12.4
150.03223	2.0
151.00383	32.1
151.03986	3.6
152.01053	2.1
153.01955	35.5
161.02495	5.0
161.06013	1.0
162.02795	2.0
163.00439	4.9
163.04085	1.3
165.01926	9.3
167.03543	1.9
168.00629	3.5
169.01457	14.3
174.03223	1.7
175.00369	3.4
175.04016	11.4
177.01923	19.8
178.02235	1.1
178.99876	18.5
179.03441	1.0
180.04305	5.5
181.01433	3.4
188.04826	1.2
189.05562	3.7
191.03429	1.6
191.07144	0.9
195.02936	2.3
195.06625	16.5
199.03941	6.0
201.01898	1.4
202.99763	1.4
211.02486	18.9
213.14972	2.0
217.05009	7.9
219.03020	1.2
241.05089	5.0
243.08713	1.7
257.04474	1.5
259.06143	2.5
271.04590	35.0
275.05621	20.3
276.05878	1.0
285.04065	56.7
286.04379	3.5
299.05588	5.4
303.05106	75.3
304.05338	6.1
307.08328	1.2
327.05148	1.9
331.06696	11.2
377.84872	1.1
459.09082	1.7
460.10321	1.1
461.10922	8.8
487.08850	5.7
521.20258	22.5
522.20502	1.7
548.22266	5.3
583.14722	6.5
593.13013	4.6
611.21277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.2
58.52005	1.0
59.01393	2.6
60.99316	6.6
61.98826	6.9
63.02390	1.4
65.00325	4.6
69.62614	5.5
71.01393	2.1
74.17896	0.8
83.01382	6.3
85.02981	1.1
88.98814	31.9
88.99336	1.9
93.03463	1.1
96.96026	2.1
97.02962	0.9
98.00191	0.9
105.03427	1.1
107.01405	8.2
107.85139	0.9
109.02985	5.0
117.03448	1.6
119.05061	1.8
121.02946	1.4
122.03757	1.0
123.00906	2.1
123.04546	3.5
124.01684	2.8
125.02459	100.0
126.02802	2.7
131.01416	1.5
133.02991	1.3
137.02451	3.6
139.00435	1.6
139.04015	3.0
140.01155	1.7
145.02969	4.0
147.04535	1.0
149.02441	12.2
150.03259	1.9
151.00378	28.5
151.04024	2.9
152.01120	2.6
153.01942	32.2
159.04533	1.2
161.02504	6.0
163.00433	4.6
163.03949	1.2
165.01965	8.4
165.05603	1.3
167.03528	2.4
168.00705	4.9
169.01414	14.7
174.03174	1.5
175.00331	3.3
175.04008	12.7
176.01088	1.1
177.01944	18.7
178.02330	1.1
178.99870	18.4
179.03525	1.2
180.04312	4.4
181.01401	2.6
188.04846	2.9
189.05573	3.4
191.03516	3.7
193.01453	0.9
195.02975	1.7
195.06642	14.5
199.03972	7.5
201.01848	1.7
205.04819	1.4
211.02495	21.7
211.04202	0.9
211.61842	0.9
212.02937	1.4
217.05037	6.5
241.05070	4.2
243.02910	1.6
243.08730	1.2
257.04544	1.4
259.06171	3.5
271.04599	32.6
271.07507	2.2
272.04980	1.4
275.05667	18.7
276.06015	1.4
284.03287	1.6
285.04080	57.0
286.04373	2.9
299.05643	6.2
303.05115	70.6
304.05469	6.2
328.95023	0.9
331.06717	9.8
354.42419	1.0
378.75464	1.1
459.01953	1.1
459.09009	2.1
461.10809	6.1
487.08713	4.4
521.20422	21.7
522.20691	2.7
548.22101	6.2
583.14484	6.4
593.13037	4.8
611.22058	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	611.1253
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
59.01367	1.9
65.00311	1.5
69.02263	1.1
69.73302	6.6
75.08775	1.2
95.01359	2.0
96.96011	3.2
98.19825	1.0
109.02959	2.6
110.00107	10.0
111.00884	5.5
116.92855	2.0
123.00877	3.0
125.02425	4.6
136.98792	2.2
137.02489	1.8
137.99565	4.0
139.00380	12.9
140.01114	1.3
145.02950	1.2
149.02464	1.3
151.00339	3.0
152.01157	1.3
161.02452	1.6
161.06076	1.1
163.03905	1.1
164.01141	1.7
165.99072	11.2
166.99834	5.0
169.01395	4.0
169.44426	1.2
171.04453	1.1
173.02367	1.2
177.01923	1.8
178.99887	8.3
187.03992	2.5
189.01970	1.3
190.02705	1.8
194.99318	6.3
198.03285	1.5
199.03934	1.9
203.03455	2.4
205.01443	1.7
206.99472	1.6
214.02586	2.3
215.03493	3.4
219.03012	1.9
229.01343	1.5
231.03032	5.3
242.02147	4.6
243.03082	5.1
245.00897	1.4
249.03995	4.9
257.00995	2.6
258.01678	4.8
259.02408	6.6
270.01691	6.1
271.02454	21.3
272.02747	1.2
275.01978	5.4
286.01166	6.4
287.01990	46.8
287.05231	2.4
288.02451	3.3
289.06900	1.5
299.99109	1.3
300.99881	11.3
303.01471	8.7
315.01471	8.1
316.02243	48.5
317.02774	7.0
332.01715	66.3
333.02176	3.2
400.42456	1.1
405.20813	1.2
449.07251	100.0
450.07452	7.5
466.02655	2.0
466.52942	1.3
491.83630	1.2
535.00012	1.0
551.17596	1.1
611.12433	93.7
612.12628	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	611.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90358	1.2
57.03443	6.2
59.01381	29.0
60.99311	9.0
61.98837	39.5
65.00316	3.3
69.27695	11.8
71.01381	10.5
73.02936	3.5
73.49568	1.4
75.00882	1.9
83.01379	4.7
85.02963	3.3
87.00883	7.1
88.00417	2.0
88.98811	53.1
89.02450	7.7
95.01370	2.0
96.96020	10.0
101.02422	6.5
106.45586	1.5
107.01382	5.9
109.02984	3.8
113.02448	3.5
117.03469	4.9
119.03512	2.3
119.05039	1.6
121.02966	4.0
123.00871	5.2
123.04526	2.0
124.01659	2.9
125.02456	42.0
128.86620	1.4
130.23004	1.4
133.02963	16.4
134.03763	9.3
135.04530	53.7
137.02435	7.9
137.09734	3.9
139.00424	2.6
139.03987	3.2
140.01134	1.8
145.02956	7.6
147.04530	1.6
149.02415	4.8
149.06075	2.2
150.03236	3.0
151.00377	27.4
151.03986	4.3
152.01093	2.8
153.01953	5.5
159.11679	2.1
160.01707	1.8
161.02452	46.5
161.04520	2.9
161.09682	1.7
162.02884	1.9
163.11288	4.1
165.01942	6.4
165.05530	2.3
168.00653	2.6
169.01433	12.8
175.04034	6.7
177.01883	10.5
177.05544	4.6
178.02695	2.4
178.99892	2.7
179.03502	24.1
179.05713	1.8
179.10812	4.8
180.04248	8.5
189.05493	1.9
191.03493	2.9
192.04201	2.9
193.05074	100.0
194.05446	4.1
195.06656	20.7
201.01915	1.6
203.03491	2.7
212.97009	1.2
217.05051	5.8
221.04567	11.7
225.07709	5.4
237.36613	1.3
251.05623	4.6
255.02898	3.8
256.03345	3.3
257.03693	1.7
259.06079	3.9
271.02438	5.2
272.02786	5.2
273.03119	2.8
281.06705	7.5
285.03989	11.1
287.05499	6.5
297.79639	1.6
300.02600	9.7
300.99838	3.6
301.03229	16.9
302.03558	17.9
303.04349	11.5
313.05505	1.5
323.07751	4.3
337.09357	1.5
341.08728	8.9
355.10397	3.5
387.16687	6.0
393.20065	1.4
417.05023	6.6
433.94324	1.4
449.10876	6.6
459.13086	2.2
459.18726	4.2
459.29645	1.4
463.09256	2.4
464.09271	4.5
465.09964	11.9
485.10727	10.2
519.22198	1.4
521.20697	1.7
531.15039	19.4
531.22345	6.1
532.15405	2.3
549.23383	2.1
551.24890	1.6
567.14746	1.5
593.12671	2.9
610.28699	2.1
611.13324	31.2
611.19244	15.9
611.27197	24.6
611.39252	2.2
612.14307	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	611.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56815	0.3
57.03428	0.9
59.01374	3.0
60.99309	2.9
61.98827	5.1
67.01900	0.3
71.01395	2.2
72.99303	0.7
73.02930	0.3
79.95760	0.6
83.01372	0.8
85.02956	0.7
87.00883	1.5
88.00327	0.4
88.98811	18.1
89.02443	1.6
93.03444	0.7
95.01366	0.7
96.12305	0.3
96.43674	0.3
96.96016	3.8
101.02454	1.3
107.01399	0.7
109.02958	1.0
110.97603	0.7
111.00864	0.6
113.02414	0.8
115.08530	0.3
116.92862	0.8
117.03462	0.6
119.05033	0.7
121.02966	0.9
123.00907	1.5
123.04537	0.5
124.01685	0.9
125.02456	9.8
126.02757	0.4
132.02176	0.5
133.02963	6.0
134.03758	7.0
135.04530	3.6
137.02451	7.3
139.00340	0.6
139.03999	2.0
140.01172	0.6
145.02931	1.3
149.02417	0.9
149.06065	0.8
150.03232	1.2
151.00349	1.6
151.03992	1.1
152.01180	0.4
153.01897	1.6
160.01628	1.9
161.02455	13.9
162.02774	0.4
163.04047	0.7
164.04834	0.3
165.01888	0.7
165.05528	0.6
168.00650	0.7
169.01421	4.5
175.03995	4.1
177.01886	2.0
177.05577	1.1
178.02695	1.4
178.99869	0.4
179.03511	4.2
179.10750	0.7
180.04236	0.4
187.03900	0.3
189.05482	0.5
191.03514	1.7
192.04288	1.4
193.05060	100.0
194.05379	4.2
195.06624	1.1
203.10770	0.5
211.02487	0.7
217.05037	1.3
221.04515	1.1
225.07722	0.7
233.59470	0.3
241.00270	0.9
251.05638	1.4
259.06091	0.9
275.05435	0.3
281.06610	1.9
285.04028	1.6
300.99966	0.6
301.03568	0.3
303.04816	0.6
307.08182	0.6
337.09436	2.2
341.08725	1.6
355.10287	2.0
364.04486	0.3
402.29523	0.3
417.04990	5.8
418.04803	0.5
447.09143	0.4
459.18909	0.7
473.13492	0.3
531.15100	19.4
531.21997	1.1
532.15576	1.6
549.23395	0.5
583.14752	0.4
593.12756	0.5
599.22546	0.4
611.11804	6.7
611.20959	5.7
611.39020	1.8
612.11572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03451	3.0
59.01385	31.0
61.62801	0.8
61.98839	19.3
70.10112	1.6
70.10503	2.1
70.39020	0.9
71.01388	12.9
72.99351	1.4
73.02951	2.3
78.95905	1.2
83.01388	2.4
85.02945	4.5
87.00883	3.6
88.98837	5.2
89.02446	6.9
95.01373	1.8
96.96023	3.3
97.02969	2.4
99.00848	1.0
101.02460	8.5
107.01397	5.2
109.02962	1.2
110.95771	0.9
111.00893	2.1
113.02469	4.8
119.03503	2.5
119.04967	0.9
119.08688	1.3
123.00854	2.2
123.04594	1.1
125.02453	25.4
127.00405	0.9
130.77370	0.9
133.10233	1.1
135.04530	1.7
135.08154	2.9
136.05356	1.1
136.98877	1.7
137.02409	1.1
137.09723	12.0
138.06860	2.4
139.00406	1.5
139.03973	1.3
139.07690	1.6
140.01147	2.9
145.02962	1.0
149.02446	1.3
149.09833	1.0
150.03198	1.2
151.00381	3.6
151.07620	1.4
152.08398	1.9
153.05528	1.4
153.09229	9.0
160.01698	1.1
161.02414	2.0
161.04582	1.4
161.09734	7.2
163.04019	1.1
163.07661	7.3
163.11394	1.5
165.01985	1.1
165.05569	2.0
168.00626	7.6
169.01434	27.5
179.10750	7.3
181.08707	8.4
183.03004	1.6
190.10576	0.9
193.01402	10.5
195.06645	1.9
197.11838	1.3
205.12375	6.6
211.02489	25.0
211.13388	7.3
223.09792	3.8
223.13184	1.1
243.03009	1.2
255.03003	3.4
271.02344	3.5
271.04776	15.4
278.75687	0.9
300.02692	8.9
301.00150	1.6
301.03534	5.3
313.05603	5.0
397.13696	3.3
415.14886	1.7
463.08920	4.6
465.06552	1.2
483.07819	30.6
484.08206	4.0
547.21686	1.8
549.32416	1.1
591.27820	1.6
609.12482	3.2
609.21088	3.6
609.29187	100.0
609.37439	4.8
610.29639	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	609.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62017	0.6
57.03435	0.9
59.01376	10.8
61.98577	0.8
61.98833	10.5
64.22800	0.6
65.00323	0.8
67.01877	1.1
68.99851	0.8
69.03446	1.5
71.01390	7.1
71.60965	0.9
72.99316	1.1
73.02946	1.8
78.95905	1.9
79.01916	0.7
81.03461	1.2
83.01383	1.6
85.02940	2.3
87.00874	3.2
88.98804	2.3
89.02422	3.2
95.01379	1.0
96.96011	2.4
97.02956	1.7
101.02436	4.1
103.03981	1.0
107.01398	9.8
108.54816	0.7
109.02961	1.2
110.00095	1.0
111.00898	3.5
113.02439	2.5
119.03513	1.3
119.04970	0.7
121.02936	0.8
123.00893	8.7
123.04472	0.9
124.01683	3.3
125.02452	57.4
126.02761	0.9
127.00397	1.3
133.10236	0.7
135.04478	1.4
135.11827	0.8
136.05292	0.7
136.98795	1.5
137.02382	2.9
137.09709	2.8
139.00400	5.6
139.04036	2.2
140.01196	5.9
143.03537	0.6
145.02951	0.9
149.02452	0.8
151.00368	5.0
152.99583	0.9
153.01843	0.8
153.05608	1.3
153.09157	2.1
155.03481	0.9
161.04578	0.7
161.09688	0.9
163.04019	0.7
163.07616	1.2
165.01941	3.8
166.99864	1.2
167.03468	2.9
167.99207	0.7
168.00641	18.5
169.01428	70.0
170.01732	1.9
179.03436	0.7
179.10809	3.6
181.01424	1.9
181.08696	1.8
182.02238	0.9
183.02986	2.0
193.01416	29.5
194.01794	1.1
197.04556	0.8
198.11899	0.8
205.12343	1.2
208.05566	0.7
209.11842	1.6
211.02480	63.7
211.13380	2.8
212.02780	2.2
223.09744	1.2
235.02449	0.9
241.03549	2.4
255.03056	0.8
271.04620	48.4
272.04974	2.4
295.04608	1.4
297.06213	0.8
300.02762	4.4
301.03500	2.8
313.05646	13.5
331.06726	2.5
375.27448	0.9
397.13428	0.9
423.05707	1.0
447.33252	0.7
463.08899	2.3
465.06775	3.3
483.07806	100.0
484.08072	7.1
549.33148	1.3
565.35754	0.7
609.18604	6.4
609.29095	23.5
609.38745	5.3
609.47552	0.9
610.30017	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	609.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49143	1.3
53.28357	1.6
53.35918	1.4
53.99409	1.5
55.59889	1.6
59.01384	9.0
60.99302	12.6
61.98836	10.6
69.67084	5.1
69.67496	5.2
71.01403	9.2
73.02974	1.8
74.99114	2.3
75.00861	1.7
85.02961	3.2
85.37390	1.5
87.00856	2.1
88.98812	77.2
89.02469	5.9
96.96018	10.0
101.02457	4.8
107.01404	4.5
111.00835	1.8
113.02480	2.1
116.92857	1.9
123.00892	4.1
125.02457	32.3
127.00398	2.2
136.98897	1.9
137.02393	1.9
139.00418	4.5
140.01166	3.4
141.93506	1.4
149.04535	1.6
151.00385	4.1
153.01929	2.2
165.02029	2.2
167.03537	1.5
167.50555	1.7
168.00636	18.3
169.01436	47.5
170.01776	2.0
177.01854	1.7
211.02492	67.7
211.13510	2.3
212.02879	2.6
255.02972	2.9
268.02121	1.5
271.04639	100.0
271.99557	1.6
272.04965	4.6
289.07175	4.2
294.02518	1.6
299.99136	15.6
300.02737	6.4
300.99899	20.5
301.03510	4.1
330.04013	1.6
331.06644	21.3
332.24405	1.6
346.43927	1.9
397.13531	2.2
403.10382	2.1
429.08286	6.7
447.09396	4.8
457.17270	2.5
519.18713	66.1
520.18823	7.4
542.96228	2.0
549.29028	2.0
565.18994	2.6
609.07050	9.1
609.17761	21.9
610.18500	2.5
625.14215	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07806	0.8
57.96336	0.8
59.13386	0.9
69.66184	5.4
90.85219	0.9
107.01376	1.9
108.02198	1.8
128.41275	0.9
148.01686	1.4
151.00348	6.6
163.00368	1.5
178.99889	6.3
202.53299	1.0
206.49295	0.9
226.02718	1.3
227.03522	2.6
243.03004	12.6
254.02263	2.2
255.02986	28.8
256.03430	2.6
259.02597	1.3
271.02484	68.5
272.02924	5.5
287.01898	2.6
299.01898	4.6
300.02750	100.0
300.99789	3.2
301.03354	10.8
316.02274	9.5
317.02472	1.2
429.07959	0.9
494.25101	1.0
609.14679	98.7
610.14984	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81956	0.3
59.86171	0.3
61.98820	0.6
63.02382	0.4
65.00329	0.4
69.39388	2.1
69.39802	0.5
71.39442	0.3
73.70268	0.3
86.64847	0.3
98.19803	0.7
107.01385	0.7
123.00848	0.4
124.01697	2.4
125.02482	0.6
135.00861	0.4
137.02454	0.8
148.01689	0.3
151.00375	4.0
152.01149	1.0
155.71553	0.3
163.00372	1.2
164.01228	1.6
169.01437	0.5
178.99854	6.0
188.04768	0.3
203.03481	1.2
203.17987	0.4
204.04268	0.7
213.01918	0.4
214.02707	6.8
215.03448	1.0
217.01340	0.5
227.03482	0.8
231.03070	0.6
232.03854	0.8
241.01517	0.4
242.02190	4.9
243.02956	3.6
244.03535	0.7
259.02493	7.5
270.01718	8.0
271.02481	40.9
272.02988	1.8
287.01987	23.5
288.02548	2.5
300.02554	0.3
300.99774	0.4
315.01505	1.5
316.02240	100.0
317.02649	8.0
453.90906	0.4
488.95383	0.4
609.14618	80.4
610.14990	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97633	0.6
61.98824	1.8
63.02389	0.6
65.00320	0.8
68.48700	0.5
69.32639	4.9
71.01379	1.2
83.01404	0.8
88.09874	0.5
88.98776	1.9
96.95992	2.0
98.19835	1.0
107.01396	1.7
123.00916	0.6
124.01659	1.4
125.02425	2.2
137.02431	0.7
143.05157	0.6
151.00383	6.2
159.04475	1.0
163.00398	1.3
164.01201	0.7
169.01416	2.2
169.87599	0.6
171.04463	1.4
173.02345	1.0
175.04028	0.6
178.99873	4.6
187.03972	1.7
189.01868	0.6
199.04056	1.4
203.03522	6.5
211.02573	1.2
214.02727	1.7
215.03517	4.7
227.03516	0.8
231.02919	4.8
242.02156	1.9
243.02942	7.2
255.02948	1.7
259.02448	14.5
260.03091	0.7
270.01718	2.5
271.02438	24.4
272.02740	1.6
285.03986	1.1
286.01328	0.6
287.01981	33.9
288.02429	2.5
299.99130	2.9
300.02734	4.4
300.99915	2.2
301.03546	2.9
315.01465	71.1
316.02213	51.2
317.02682	4.7
318.03009	1.4
330.03796	20.7
331.04541	11.7
403.10410	0.7
429.08096	0.7
442.55246	0.7
447.09259	4.8
463.08823	0.8
464.09015	0.9
465.09363	2.1
476.84695	0.6
477.10370	0.6
519.19141	1.4
594.03101	0.8
594.12061	4.9
609.14648	100.0
610.14966	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1253
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
54.28813	1.0
57.03452	11.5
57.88675	1.0
60.18184	1.0
68.99849	1.2
69.50216	2.5
69.50620	6.4
81.03487	2.5
83.01387	4.5
83.01846	1.3
89.02419	1.2
93.03459	5.6
95.01395	2.9
95.05034	1.7
96.96008	2.7
96.96944	2.1
97.02941	2.3
103.27469	1.1
105.03435	1.4
109.02969	14.5
111.00899	2.1
111.04570	2.2
117.03446	1.1
119.05046	1.8
121.02952	6.0
123.00885	6.1
123.04485	2.4
124.01670	3.0
125.02458	100.0
126.02799	2.4
126.57594	1.1
131.05022	1.2
133.02954	2.5
137.02460	28.9
138.03192	1.8
139.00378	3.8
139.04021	12.4
147.04565	2.1
149.02458	6.5
151.00330	1.8
151.04031	5.7
159.04517	3.2
161.02437	5.1
163.04013	4.4
164.01161	3.8
165.01927	14.6
167.03484	15.7
169.01427	7.6
174.03275	1.4
175.03989	7.1
177.01942	72.3
177.05498	1.9
178.02399	3.6
178.99762	1.1
179.03497	9.2
187.03990	4.4
189.01903	2.2
191.03511	3.8
193.01506	1.4
201.01898	1.6
203.03473	4.8
204.04288	2.6
205.01488	3.6
205.05005	1.8
211.04030	1.5
215.03575	2.4
217.05090	1.6
219.02916	1.8
219.06633	5.9
221.04556	4.7
227.03445	2.8
228.04285	1.5
229.01434	2.9
229.05070	4.3
230.02336	1.4
231.02986	4.4
233.04549	1.6
241.05090	1.8
243.02983	5.3
243.06642	1.6
245.00876	2.6
245.08141	1.4
248.02989	1.2
249.04024	4.6
255.03015	8.6
256.03708	2.4
257.04584	3.0
259.02402	1.5
261.04004	3.2
269.04611	2.3
273.00986	1.2
273.04041	7.7
274.01245	1.9
275.01999	6.3
282.01703	1.5
283.02509	6.7
285.03961	3.4
288.02563	1.5
297.04016	4.8
299.99091	1.7
300.99838	9.3
301.06863	1.7
302.00293	2.6
303.05084	10.0
305.06693	64.6
306.06958	4.8
315.05093	2.2
355.08298	2.6
403.10489	1.2
423.07239	68.1
424.07608	7.8
427.02805	1.4
441.08240	16.7
442.08612	1.6
483.09143	6.0
484.09488	1.4
493.53455	2.2
537.12054	1.5
559.08008	2.2
609.12360	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	609.1253
Annotation	Theasinensin C
Peak:m/z	Relative Intensity
57.03452	0.9
59.01387	5.8
59.18071	0.7
61.98833	37.9
63.02451	0.8
65.00343	0.9
71.01401	5.0
71.61006	0.7
73.02956	1.2
78.95940	0.9
83.01421	0.8
85.02970	2.2
87.00871	1.7
88.98789	3.8
89.02464	2.2
95.01414	1.2
96.96040	3.0
101.02474	3.3
103.04014	0.9
107.01402	1.8
108.47216	0.7
109.03055	1.0
111.00894	0.8
111.02213	0.7
113.02488	2.2
119.59798	0.7
123.00891	1.0
124.01678	4.1
125.02473	2.8
135.00873	1.0
137.02484	2.7
151.00400	7.3
152.01103	1.0
160.01689	1.4
161.02431	1.2
161.04602	1.4
163.00415	1.1
163.04013	1.5
164.01215	1.4
169.01450	2.9
175.04030	1.6
177.01970	0.7
178.99878	6.2
179.10786	2.3
185.06059	0.8
191.03586	0.8
203.03526	2.2
209.11848	1.7
211.13269	1.0
214.02711	7.3
215.03462	1.6
227.07138	1.2
232.03726	0.8
241.01103	0.7
242.02217	5.7
243.03009	4.0
253.04950	0.9
253.18137	3.6
254.18436	2.7
259.02515	8.1
267.10782	0.8
270.01709	8.2
271.02484	45.1
272.02744	2.8
287.01968	24.7
288.02570	3.2
300.02567	1.1
300.99823	0.9
315.01547	2.0
316.02234	100.0
317.02866	15.4
359.28006	5.8
375.27417	1.5
448.08063	0.8
463.08926	1.0
609.12445	62.9
609.28131	3.6
609.36987	4.8
610.12738	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	609.1253
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
51.04308	1.0
54.74375	0.9
54.89690	1.1
57.03453	9.8
58.42621	1.0
69.03452	1.2
69.53745	7.5
81.03455	2.4
83.01388	3.5
93.03476	2.8
95.01395	2.6
95.05032	1.9
96.96025	2.6
97.02964	2.0
98.19801	1.0
105.03491	1.0
107.05070	1.6
109.02953	15.3
111.00865	1.3
111.04527	2.2
117.16901	0.9
121.02975	6.0
123.00880	4.9
123.04518	1.4
124.01678	2.6
125.02451	100.0
126.02791	2.4
131.04984	1.6
133.02954	2.5
135.04536	2.6
137.02455	24.9
139.03996	10.9
141.01913	1.2
149.02470	8.9
151.03993	6.4
159.04515	2.2
161.02446	3.1
163.00407	1.7
163.04002	2.7
164.01170	3.8
165.01935	12.9
166.02611	2.2
166.99838	1.1
167.03505	14.0
169.01407	1.4
169.84636	1.0
173.06113	1.1
175.03990	9.1
177.01939	73.2
177.05510	3.2
178.02409	3.7
179.03513	11.5
187.03995	3.3
191.03511	2.6
191.07159	1.1
199.03986	1.9
203.03450	2.2
204.04253	3.3
205.01433	1.7
211.04008	2.2
213.05612	2.2
215.03487	2.2
217.01503	1.5
217.05173	2.3
219.06621	8.1
221.04567	5.7
227.03503	3.3
228.04326	1.8
229.01505	1.2
229.05112	3.0
231.02861	1.2
243.03055	6.1
255.03024	17.6
256.03641	4.0
257.04517	3.0
261.04037	3.6
261.07599	2.6
269.04572	3.5
273.04013	6.5
275.01886	2.0
282.01688	2.3
283.02515	10.7
285.04041	3.4
297.03979	6.2
298.04715	1.8
300.99869	4.3
303.05090	7.8
305.06668	70.5
306.06961	2.9
315.04984	3.3
355.08157	1.9
423.07242	79.3
424.07544	7.8
441.08276	20.0
442.08765	1.7
483.09183	5.9
591.11737	1.4
609.12866	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	609.1251
Annotation	56343-26-1
Peak:m/z	Relative Intensity
54.99866	0.6
61.79671	0.6
63.02430	0.7
65.00330	1.4
67.04857	0.6
83.01411	0.9
86.33514	0.6
98.20695	1.8
107.01430	3.5
108.02203	1.8
108.80965	0.6
117.03521	0.8
121.02960	2.3
125.02486	0.7
130.51581	0.6
139.12500	0.6
145.03000	2.4
148.01723	1.6
151.00375	11.6
152.00908	0.7
160.16719	0.6
163.00380	2.2
163.04034	0.6
164.01147	1.0
169.01476	0.9
178.99869	4.4
199.04042	0.9
201.05635	0.7
211.03917	0.7
226.02711	1.1
227.03465	3.1
228.75702	0.6
229.04875	0.7
243.03000	10.4
245.04651	0.8
254.02199	1.8
255.03004	25.9
256.03442	1.8
256.82129	0.7
265.49573	0.6
271.02505	57.6
272.03043	4.6
273.04190	0.9
276.82285	0.7
283.02435	1.0
299.02142	1.7
300.02777	100.0
301.03500	41.0
302.03851	2.2
343.04633	0.7
396.66998	0.6
402.59146	0.7
463.08856	62.6
464.09045	6.0
470.93094	0.7
609.12482	50.7
610.12872	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	609.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.7
57.60912	0.4
59.01382	4.2
59.06541	0.4
61.98835	4.1
62.95017	0.4
63.02412	1.2
63.12435	0.5
65.00336	2.9
69.43964	3.0
71.01378	2.5
73.02956	0.8
78.95928	0.5
83.01385	2.4
85.02957	0.8
87.00909	0.9
88.98841	1.8
89.02469	1.4
93.03457	0.6
96.96023	2.8
101.02461	1.2
107.01402	6.3
108.02200	2.0
109.02956	1.9
113.02469	1.1
117.03483	1.6
119.05045	1.0
121.02961	4.0
123.00924	1.1
125.02467	1.7
133.03012	0.5
135.00894	1.2
135.04553	1.9
145.02969	5.0
148.01688	1.3
149.02464	1.2
151.00386	23.6
152.00774	0.6
153.62859	0.4
159.04616	0.6
161.02440	1.9
161.04568	0.6
161.06096	0.5
163.00409	2.8
163.04005	0.9
164.01158	1.1
168.00665	0.7
169.01427	3.3
173.06029	0.5
175.00409	0.9
175.04105	0.6
177.05528	0.8
178.99884	10.1
179.03496	1.7
179.10759	1.1
183.04581	1.0
187.03961	0.9
190.02689	0.4
190.99916	0.5
192.00632	0.8
193.01407	0.6
197.11874	1.0
201.05629	0.6
203.03505	0.8
211.04068	1.5
211.13365	0.6
215.03532	0.8
216.04274	0.6
221.04536	0.7
226.02698	1.2
227.03511	4.2
228.04253	0.5
229.04825	0.6
241.10884	1.1
243.02988	11.0
244.03497	0.9
245.04457	1.2
251.05780	0.6
254.02237	1.5
255.03004	25.5
256.03452	1.9
257.04379	0.5
271.02481	56.3
272.02979	5.4
273.04120	1.2
281.06744	0.8
283.02359	1.1
299.01981	1.5
300.02771	100.0
301.03522	76.9
301.07214	0.6
302.03909	4.1
341.08984	0.5
343.04956	0.6
343.14114	0.7
345.17029	0.4
355.71973	0.5
403.15994	1.1
459.09705	0.8
463.08838	64.6
464.09137	5.3
487.08633	1.1
502.09402	0.5
546.62695	0.5
549.32458	1.7
561.99701	0.4
609.12415	55.3
609.28851	4.2
609.38361	1.1
610.12811	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	609.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74060	1.0
56.20594	1.1
57.66808	0.9
57.81330	0.9
58.49779	1.0
59.01392	1.4
59.49574	1.1
61.98835	2.0
69.46947	9.2
76.05323	0.9
78.67770	1.1
88.98798	2.7
96.96045	2.2
108.72780	1.2
119.05027	1.4
123.00838	1.1
125.02422	2.2
145.02988	1.5
151.00327	3.7
158.43451	1.1
169.01407	2.4
172.01672	2.5
176.01239	1.8
178.99913	2.3
199.04002	1.7
200.01146	2.6
203.03444	3.7
211.02437	2.3
215.03462	2.9
216.00569	3.9
228.00616	3.0
229.01331	3.0
231.03014	2.8
242.99312	1.2
243.03044	5.8
244.00130	4.1
259.02521	7.1
266.43787	1.1
271.02219	11.0
271.04721	3.7
271.99753	2.0
282.98965	2.0
283.99573	2.3
287.01965	14.5
298.98306	2.7
299.99139	100.0
300.99887	97.9
302.00226	5.6
315.01489	35.9
316.02216	9.7
317.02521	1.7
329.99988	2.2
330.03833	34.9
331.04486	4.8
445.03769	2.1
447.09204	3.4
463.05167	13.0
465.09845	1.2
519.18665	2.2
609.08691	58.8
609.15729	27.7
610.09235	7.0
637.92352	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	607.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15538	1.1
50.42167	0.8
55.09787	0.8
57.03445	8.5
58.00605	1.3
59.01382	20.1
59.10939	1.0
61.24506	1.0
61.98834	18.3
69.33707	1.0
71.01391	16.2
73.02940	2.8
73.63077	0.8
78.95908	1.5
83.01392	1.6
85.02947	4.5
87.00890	2.5
88.98810	2.5
89.02448	18.6
90.50455	1.0
92.22027	1.0
96.96033	3.5
99.04524	3.0
100.27924	0.9
101.02454	7.8
103.04030	1.2
105.74439	1.0
113.02454	4.9
119.03529	2.3
123.00903	1.3
125.02447	6.2
131.03484	4.1
135.11836	1.1
139.04018	1.6
149.04568	7.9
161.04575	1.6
161.09712	1.6
169.01418	3.9
175.04028	1.2
175.47563	0.9
179.10741	3.5
191.05544	2.1
193.16032	1.8
193.43507	1.1
203.10872	2.5
209.11894	1.5
221.11844	1.2
223.76814	0.9
253.18092	100.0
254.18477	6.0
293.08817	9.2
339.66055	0.9
401.17883	1.1
411.45239	1.1
547.28851	1.2
563.34503	1.1
607.27112	11.3
607.36780	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	607.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	12.5
59.01384	32.8
61.98833	35.9
69.03452	2.7
69.26043	1.4
69.37473	14.5
71.01388	29.4
72.48962	1.5
72.99301	2.5
73.02932	5.1
78.95905	4.2
79.95742	2.0
81.03440	2.1
82.29324	1.6
83.01395	3.2
83.05005	2.5
85.02950	6.4
87.00876	5.7
88.98802	3.7
89.02454	26.4
95.01302	1.5
96.96017	9.6
96.96941	3.2
97.02955	2.2
98.20599	3.4
99.04537	4.3
101.02439	15.7
101.88026	1.7
103.04010	3.1
105.73691	1.6
113.02464	7.8
115.92078	1.8
119.03491	5.3
119.05003	1.7
119.62426	1.4
123.00861	3.8
125.02473	10.1
131.03490	4.8
135.11769	2.6
143.03523	2.8
145.02872	2.0
149.04568	9.2
150.03214	2.0
152.99553	2.6
159.10284	2.0
159.11884	1.5
161.04523	2.0
161.09724	5.1
161.15065	1.6
163.11317	1.9
165.05574	3.4
169.01413	5.8
177.09192	4.4
179.05609	4.7
179.10773	12.3
193.12390	2.2
195.06573	2.1
201.11311	1.6
203.10774	3.6
209.11819	24.4
221.11792	5.3
253.18095	100.0
254.18372	5.0
293.08667	7.7
315.01416	1.6
341.86304	1.9
343.11731	2.1
367.35895	1.6
373.25714	2.0
397.13464	7.3
401.18219	3.7
415.14618	3.4
504.60388	1.9
534.63733	1.6
589.23962	2.1
607.27209	28.9
607.36304	6.5
608.78070	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	608.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98834	100.0
71.01402	1.0
72.99366	0.4
78.95915	1.2
86.05408	0.3
89.02462	0.9
95.05013	0.3
96.96053	0.6
101.02444	0.6
103.04012	0.4
113.02493	0.4
117.05638	0.6
120.01295	0.7
125.02443	0.9
131.82971	0.4
152.99626	0.9
158.70351	0.3
169.01472	0.7
176.03548	0.7
182.03076	0.3
209.11861	0.8
210.12140	0.6
211.13411	0.9
230.41588	0.3
240.65268	0.3
361.19098	0.3
397.13461	0.4
608.29761	0.7
608.38922	0.4
609.29388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98834	100.0
71.01402	1.0
72.99366	0.4
78.95915	1.2
86.05408	0.3
89.02462	0.9
95.05013	0.3
96.96053	0.6
101.02444	0.6
103.04012	0.4
113.02493	0.4
117.05638	0.6
120.01295	0.7
125.02443	0.9
131.82971	0.4
152.99626	0.9
158.70351	0.3
169.01472	0.7
176.03548	0.7
182.03076	0.3
209.11861	0.8
210.12140	0.6
211.13411	0.9
230.41588	0.3
240.65268	0.3
361.19098	0.3
397.13461	0.4
608.29761	0.7
608.38922	0.4
609.29388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03437	5.2
58.00565	2.7
59.01104	2.0
59.01383	42.9
61.98837	64.4
69.03461	7.9
71.01391	38.6
71.05033	2.2
71.07457	1.7
71.61568	2.8
72.99308	4.0
73.02949	9.3
75.00880	4.0
78.95896	3.7
79.95745	1.8
81.02978	1.7
83.01395	3.3
85.02968	10.7
87.00879	4.1
87.04520	1.6
88.98802	6.7
89.02455	31.8
94.50578	1.5
94.98061	1.7
95.01372	1.9
96.36237	1.6
96.96001	17.0
96.96947	4.2
97.02928	2.8
98.95627	2.5
99.00880	4.0
101.02448	23.6
103.04050	4.2
107.05032	3.1
109.02933	3.6
109.06587	2.3
110.01017	1.9
111.04517	3.2
113.02454	16.1
115.92020	1.9
116.92860	6.7
117.05583	1.7
119.03515	9.1
122.03768	5.7
123.08163	3.0
124.05327	2.8
125.02448	7.1
127.07649	6.4
133.06624	9.2
135.04538	2.3
135.11763	5.4
137.06073	8.4
139.07652	10.5
139.11273	12.9
143.03423	4.1
145.02948	6.8
149.04594	2.3
151.07669	2.9
155.07094	4.4
159.08183	2.1
161.04581	7.1
161.05875	2.1
161.09749	15.5
163.04004	2.3
163.07635	1.8
165.09180	2.2
168.07942	4.1
169.01399	6.2
175.11185	1.9
179.05591	7.5
179.10789	25.7
183.10272	39.1
191.10793	5.4
193.12309	2.6
197.11772	5.4
203.10820	11.0
205.12289	2.7
207.10272	1.8
209.11893	8.8
209.19177	1.9
217.12367	3.7
221.11819	7.6
225.11322	9.1
235.13527	1.5
253.18068	3.3
271.04620	2.3
293.08560	2.7
307.08380	4.5
331.13962	6.3
357.26468	5.0
373.39609	1.8
383.17227	4.1
401.18051	10.7
426.15518	1.6
441.17297	4.0
496.23135	12.3
547.27716	3.2
563.27814	2.3
571.26843	1.9
593.99042	1.8
607.27557	100.0
607.35992	8.3
608.27740	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	607.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82615	0.6
57.03451	100.0
57.19011	0.6
58.03804	0.7
59.01382	2.4
60.31047	0.6
61.98853	1.0
69.36252	2.5
69.36674	3.3
81.03458	3.5
83.01380	0.9
94.20221	0.7
99.04523	30.6
100.04861	0.8
101.02452	20.3
101.03082	1.3
118.07220	0.7
124.90645	0.7
125.02457	3.9
160.01656	1.2
166.47829	0.6
175.03992	1.4
179.07080	0.7
193.41296	0.7
196.88086	0.7
242.02283	0.7
283.06412	1.1
285.07877	2.5
285.11197	1.2
297.07632	0.7
298.08490	2.3
299.09186	1.3
311.09357	1.7
312.10034	1.5
313.07291	8.9
313.10886	2.9
314.00671	0.9
314.07901	1.5
325.10974	1.3
328.09521	14.1
329.10062	4.6
341.10403	2.8
343.11853	19.9
344.12521	7.8
356.12628	1.4
358.14218	22.9
359.14938	13.4
371.15060	7.6
415.17654	1.3
433.19025	1.2
444.10614	1.9
445.11594	1.0
475.19742	19.9
476.20178	2.1
515.22931	28.9
516.23322	4.9
545.24139	1.9
607.24744	7.3
615.25000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.50130	2.1
57.03445	7.3
58.00600	2.7
59.01095	4.2
59.01384	72.9
59.16062	2.3
59.95082	2.1
61.98834	81.8
71.01387	63.2
72.99310	3.9
73.02936	10.9
73.66489	2.5
75.00848	3.0
78.95915	5.6
83.01384	4.2
85.02957	20.4
87.00873	10.2
87.04529	2.3
88.98814	6.7
89.02448	50.4
93.03539	2.5
95.01399	5.6
96.95993	9.4
97.02946	2.5
99.00881	3.8
99.04494	2.8
101.02448	39.5
103.04017	8.3
107.01352	3.9
107.05015	2.8
111.04535	3.4
113.02464	34.9
119.03493	20.5
119.05006	2.4
122.03712	8.2
123.00878	9.3
124.05305	4.6
125.02461	17.3
131.03517	7.7
133.10278	5.3
135.08211	2.6
135.10921	2.4
135.11810	15.4
138.01955	3.3
139.07639	17.4
143.03514	6.6
145.02991	2.6
149.04517	7.6
149.09734	4.0
150.03268	3.6
151.00388	6.5
151.07668	3.1
159.08145	8.5
159.11798	4.3
161.04549	12.3
161.09731	29.1
163.11337	3.4
165.05542	8.6
165.09146	3.7
166.05544	2.2
168.07890	6.5
169.01413	14.4
177.09196	3.2
177.12804	5.1
179.05638	21.7
179.10774	77.8
180.11140	2.4
191.05666	2.4
191.10785	15.9
193.12338	9.3
195.06494	2.3
203.10797	24.1
209.11855	40.3
210.12248	3.7
221.11850	26.3
228.70610	2.6
253.18092	91.0
254.18398	4.6
293.08813	5.2
357.26251	3.3
373.25732	3.7
383.17001	7.3
383.28116	3.6
385.23764	2.7
397.13528	16.2
401.18152	28.9
401.28903	4.4
415.14502	8.9
417.77005	2.7
439.52518	2.6
459.18649	18.9
545.12244	2.5
563.34277	7.0
563.42706	2.3
597.89453	2.4
607.27417	100.0
607.36572	24.1
608.06860	2.7
608.27850	14.5
608.36865	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	607.2034
Annotation	Miconioside A
Peak:m/z	Relative Intensity
50.92749	0.4
59.01381	4.1
61.98837	0.7
71.01393	4.8
73.02945	1.1
79.01912	0.8
81.03524	0.5
83.01345	0.6
84.21690	0.4
85.08810	0.4
89.02458	6.8
93.03464	15.3
94.03899	0.4
95.01402	0.4
97.02953	0.6
99.00906	2.0
101.02451	1.6
109.02962	0.5
113.02434	0.6
119.05036	66.9
120.05356	1.6
122.03738	0.7
125.02466	4.2
131.03467	1.4
134.03694	0.5
145.02948	1.4
149.02460	0.7
149.04546	1.4
149.06081	0.6
150.03220	8.2
151.03888	0.6
163.04021	0.6
164.04759	2.2
178.02730	23.7
179.03236	1.3
191.05598	0.6
192.04315	2.6
193.05066	55.2
194.05357	2.5
207.06662	1.4
211.06070	0.4
219.06691	0.8
224.03308	2.5
233.06647	4.3
246.63487	0.4
293.08813	4.0
298.08411	1.7
313.10834	100.0
314.11151	7.5
457.26639	0.4
471.29892	0.5
607.20465	7.8
607.37177	0.9
608.20282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
61.98835	26.4
67.01888	1.5
69.03451	4.7
71.01383	4.4
71.05031	10.6
72.99308	1.0
73.02953	1.3
75.00861	0.7
78.95901	0.6
79.01900	2.2
83.01391	1.2
83.26900	0.4
85.02967	1.0
88.43480	0.4
88.98820	0.5
89.02440	1.6
95.01382	3.0
95.38837	0.4
96.95979	0.7
97.02926	0.9
98.20644	1.0
99.00868	0.6
99.36095	0.4
101.02447	2.1
107.01408	8.2
111.00904	3.9
113.02441	2.0
113.03220	0.6
117.05577	0.9
121.02975	5.9
123.00903	22.6
124.01634	1.6
125.02463	22.8
126.02808	0.6
127.00378	2.1
134.03723	1.6
135.04578	0.6
136.98824	2.8
137.02441	0.5
139.00374	7.2
140.01175	5.6
141.01958	2.4
147.00897	0.9
149.09741	1.2
151.00378	9.8
151.03958	1.0
153.01938	0.7
154.99802	0.8
163.03947	0.6
165.01956	0.6
166.99890	2.7
168.00650	7.7
169.01440	23.3
170.01756	0.7
176.60255	0.5
177.04027	1.2
177.09204	1.3
179.03433	0.8
179.07162	0.6
181.08716	1.6
193.08833	0.5
207.06505	0.5
209.11752	0.5
211.02469	2.7
221.08209	3.0
223.06226	0.9
224.07610	0.4
225.07603	2.6
241.03625	0.5
251.11296	0.7
265.07230	0.7
271.04459	1.3
313.05740	0.8
385.11447	10.8
402.11725	4.7
403.12463	11.3
404.12933	1.1
413.55194	0.5
459.18710	26.1
460.19016	1.8
533.13037	7.0
534.13330	1.1
607.20331	100.0
608.20642	11.9
608.29901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46384	1.6
57.14177	1.5
63.95367	1.6
68.42629	1.7
71.59754	2.2
71.60125	2.9
78.95918	9.4
255.23196	2.3
319.06284	1.8
429.17221	2.3
430.17911	8.7
444.19492	3.0
445.20337	100.0
446.20712	12.5
459.21857	24.8
460.22516	7.8
468.52298	1.9
473.19662	4.0
487.21622	2.6
504.21689	64.5
505.22266	8.4
518.23322	15.4
519.24017	79.1
520.24597	9.6
573.25122	3.9
605.27728	54.8
605.37592	5.2
606.27765	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	606.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
59.01377	2.4
61.98829	8.2
65.36872	0.8
66.05566	0.8
69.32449	3.8
69.32889	4.3
71.01374	2.8
85.02973	1.7
89.02452	1.1
95.01410	1.0
96.96017	4.3
98.20589	1.9
99.04478	1.3
101.02468	2.4
107.01403	3.1
111.00897	1.9
123.00889	9.5
125.02464	12.7
139.00375	2.4
140.01125	2.1
141.01942	0.8
148.23956	0.9
149.04477	0.9
151.00377	5.7
153.01862	1.0
163.03938	1.2
165.05652	1.0
168.00609	2.6
169.01437	15.8
170.01759	1.3
179.03575	1.0
211.02438	1.7
271.04800	1.1
272.38715	0.9
275.02042	1.0
313.05634	1.0
343.11865	1.5
397.35022	0.9
403.70862	1.0
515.22650	1.4
543.24445	100.0
544.24835	11.1
547.27899	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	606.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26024	0.3
59.01381	0.6
61.98836	100.0
71.01402	0.4
78.95911	1.9
98.20705	0.9
108.86197	0.3
119.15412	0.3
152.99643	0.8
209.11819	0.7
211.13362	0.7
229.61906	0.3
312.56400	0.3
363.12338	0.3
476.92578	0.3
575.26855	0.7
607.27722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2609
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
55.01880	0.4
57.03447	0.7
59.01103	0.5
59.01381	4.9
61.98522	0.9
61.98833	14.4
62.35039	0.4
65.00317	0.5
67.01888	1.0
67.65303	0.4
69.03458	0.6
71.01382	4.2
71.05000	0.5
71.21687	0.4
72.99290	1.3
73.02945	0.9
75.00840	0.7
78.95928	0.4
79.01904	0.8
83.01402	0.9
85.02940	1.6
87.00880	1.2
87.73006	0.4
88.98814	0.8
89.02438	2.6
92.74486	0.4
93.81020	0.4
95.01392	2.8
96.96020	2.7
97.02963	1.0
99.00910	0.6
99.04475	0.5
101.02462	2.7
103.04006	1.2
107.01388	4.4
111.00903	3.2
113.02437	1.6
117.05610	0.4
119.03511	0.8
120.99693	0.4
123.00886	14.5
124.01633	1.3
125.02450	17.1
127.00378	1.1
131.03578	0.6
135.04503	0.6
136.98814	2.1
139.00377	5.4
140.01183	5.0
141.01926	1.9
145.02939	1.0
151.00375	7.9
151.03999	0.7
153.01953	1.2
161.04512	0.6
164.08406	0.8
166.99884	0.6
168.00652	9.9
169.01425	21.9
170.01750	0.8
176.51546	0.4
177.04045	1.6
179.03401	0.5
179.67360	0.4
193.05080	1.0
201.11353	0.6
211.02470	4.0
237.07632	1.3
241.03346	0.8
251.16499	1.6
271.04538	3.4
297.06085	1.2
313.05539	0.6
322.75903	0.6
329.05029	2.0
367.70844	0.4
452.16968	1.4
453.17691	0.6
453.24649	0.8
463.08078	0.4
513.06183	0.4
543.23962	0.6
569.25488	0.6
605.26044	100.0
606.26453	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	605.241
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.70155	0.5
68.09594	0.4
71.61432	0.6
118.50790	0.4
150.18124	0.5
174.05788	0.5
236.96777	0.5
415.15817	0.8
416.16296	0.9
429.17462	1.0
430.18005	1.1
438.31213	0.5
443.18799	0.9
444.19241	0.6
457.20074	1.5
459.18042	2.2
467.19189	0.8
470.17062	0.6
471.18530	1.4
472.18173	0.6
473.19653	3.9
474.20319	0.7
485.19769	1.4
485.24591	0.7
486.20856	3.8
487.21094	1.0
496.19333	0.9
499.17480	2.2
501.23657	3.2
511.21381	2.3
513.19275	2.4
514.20166	7.3
515.20789	0.8
517.18951	1.1
518.19250	1.1
528.21411	0.7
529.22491	100.0
530.22791	13.9
532.21094	2.0
533.22058	2.3
561.25012	1.3
573.21490	1.0
605.23523	1.2
605.32410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01381	11.2
61.98835	21.4
67.01917	1.8
69.70980	0.8
70.37206	1.2
71.01387	10.1
71.61983	1.7
72.99306	1.7
73.02951	1.4
75.00854	2.4
78.95925	1.1
79.32243	0.9
79.95726	0.9
83.01369	1.6
83.05066	1.1
85.02942	3.9
87.00871	2.3
88.98810	4.7
89.02467	6.0
95.01392	3.4
96.13302	0.9
96.96023	6.5
96.96984	1.1
97.06563	1.1
99.00906	1.1
101.02459	5.2
103.26608	1.0
106.65102	0.9
107.01379	4.6
109.02969	1.1
110.15478	1.1
111.00916	4.9
111.01566	1.2
113.02443	3.0
116.92848	1.3
119.03490	1.1
121.02931	1.2
123.00904	21.0
123.04495	1.2
125.01624	1.6
125.02456	21.7
132.02177	1.6
134.03780	6.4
135.04494	1.8
136.98845	2.2
137.02428	2.4
139.00403	7.7
139.03922	1.2
139.07712	1.2
139.39262	0.9
140.01190	4.9
141.01888	1.5
149.06055	1.3
151.00385	11.3
151.04013	1.1
153.01875	1.4
155.10765	2.2
160.01668	11.2
161.04558	2.0
168.00662	6.9
169.01440	26.3
170.01755	1.3
175.04013	17.3
177.01915	1.3
177.04137	1.6
179.03452	1.7
179.05594	1.2
189.01955	1.1
191.07100	1.9
192.00818	1.1
193.01401	1.8
193.05064	7.2
205.16039	1.5
211.02501	4.6
223.66328	1.2
232.54140	0.9
235.06140	6.3
251.16524	3.1
265.07120	2.7
267.16068	4.9
271.04663	3.4
273.00723	1.5
275.01898	1.9
289.06921	1.3
293.08893	1.4
295.08334	6.6
313.05661	1.7
329.04901	1.7
337.09338	19.0
355.10568	1.3
405.19272	1.1
539.27460	1.3
542.23181	1.8
543.24957	1.7
561.32947	2.0
567.24591	1.8
569.26361	1.9
587.34149	1.5
605.26099	100.0
606.26385	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	605.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63206	0.3
54.17323	0.4
59.01389	1.9
61.98846	2.0
66.77547	0.4
71.01400	1.5
78.95918	1.3
79.95757	0.5
81.23209	0.4
89.02474	1.2
93.03495	0.6
96.96021	10.7
101.02441	0.9
101.13972	0.4
113.02459	0.7
117.05548	2.6
123.04547	2.6
125.02512	0.4
132.02246	0.5
133.02975	2.8
133.56445	0.4
135.04593	0.9
141.04471	0.4
149.02457	0.9
152.99574	0.7
163.00331	0.4
163.04082	0.6
163.11287	0.5
177.01967	1.8
179.03519	0.6
190.02705	1.5
191.03531	1.2
193.05075	1.7
199.07657	0.5
211.07646	1.6
221.04643	0.5
227.07178	1.5
239.07071	2.3
240.88963	0.4
241.05074	0.5
255.06657	8.5
256.06937	0.5
282.05042	0.6
283.06149	34.7
284.06512	3.3
311.05643	100.0
312.06216	11.9
325.07272	0.9
326.07974	42.4
327.08633	10.5
328.09277	0.4
337.76288	0.4
455.13388	1.3
459.60352	0.4
473.14502	1.3
605.18738	74.1
605.26483	4.1
606.19055	9.7
606.28265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03452	12.7
59.01392	2.8
59.01661	0.5
61.98568	0.4
61.98838	5.3
69.42262	2.6
69.42693	0.6
71.01379	1.4
73.02959	0.7
79.01894	5.6
81.03488	0.5
83.01389	0.3
85.02956	0.5
88.50441	0.3
88.98815	0.7
89.02447	0.7
91.05529	1.1
93.03464	2.8
96.96024	1.9
98.19830	0.6
99.04523	4.3
101.02455	4.5
105.09418	0.3
109.02938	0.3
111.04520	1.6
113.02462	0.5
115.40569	0.4
116.92822	0.5
119.05036	18.1
120.05363	0.6
121.02928	0.8
123.00864	0.5
123.04594	0.5
125.02451	3.0
134.03709	0.5
135.04530	8.9
137.02434	0.5
145.02937	1.0
151.00293	0.7
151.04004	1.6
153.05574	0.7
160.01682	0.6
161.04572	0.5
163.04034	0.5
165.05598	0.5
166.02707	0.7
167.03444	0.7
169.01404	1.3
175.04056	0.8
177.05573	0.3
177.73561	0.4
179.03505	20.3
180.03911	0.4
181.05069	0.7
193.01373	0.9
193.05016	2.2
197.04575	0.6
199.07585	0.5
205.05099	3.0
273.00421	1.1
276.97284	0.4
299.09253	100.0
300.09531	6.7
305.08713	1.9
325.21957	0.3
341.10229	0.5
355.06870	0.4
387.14709	0.5
446.74915	0.4
461.14423	0.6
543.22382	0.8
560.99933	0.4
567.24768	0.5
592.78510	0.5
605.17542	0.6
605.26141	0.6
605.34583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01097	2.5
59.01385	38.6
61.98838	15.9
64.96505	1.2
69.49619	11.9
71.01380	5.5
75.00887	2.6
78.79046	1.4
81.03445	1.6
83.05026	3.7
88.98826	2.2
89.02463	3.0
95.05036	2.5
96.96017	4.1
98.19913	3.0
101.02473	2.0
101.06100	3.0
113.02448	2.3
119.03487	1.5
125.02438	3.8
125.09728	2.6
153.05547	1.7
161.04538	1.8
163.11226	3.9
165.12859	2.6
171.10298	8.7
177.07964	1.7
187.69585	1.5
209.11848	100.0
210.12166	4.5
211.13403	2.4
227.12906	12.2
247.13420	1.8
334.56519	1.7
449.25272	2.1
475.26819	2.0
511.29218	1.9
603.38043	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	604.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03451	11.0
59.01379	8.4
61.98835	42.0
67.01887	1.0
67.58386	0.8
71.01391	5.5
72.99322	1.4
73.02949	1.2
75.00871	0.7
76.75694	0.8
78.95864	1.6
79.01891	0.8
83.01402	2.1
85.02963	2.5
87.00882	1.6
88.98795	1.9
89.02447	2.5
95.01386	1.2
96.96016	7.0
96.96986	1.0
99.04529	6.0
101.02473	5.0
107.01375	3.2
111.00914	3.6
113.02431	1.5
119.03481	0.8
119.05032	2.5
123.00892	13.2
125.02465	16.5
126.02805	1.1
135.04533	2.2
136.98885	1.4
137.02443	1.2
139.00403	4.9
140.01141	3.5
141.01901	1.7
143.29868	1.0
145.02966	2.1
151.00380	8.6
161.04510	1.4
163.03993	1.1
168.00652	5.0
169.01443	21.5
170.01761	1.8
175.49292	0.8
176.94676	0.8
179.03558	1.4
193.05048	2.8
209.11809	0.9
211.02519	4.7
212.02812	1.2
213.01352	0.8
234.44611	0.8
237.07640	1.4
251.16499	1.6
271.04669	4.4
272.04971	1.5
299.09174	3.1
313.05603	1.7
357.09671	2.0
372.12183	1.9
383.24292	0.9
387.14520	8.3
488.82562	0.9
541.22906	100.0
542.23230	11.4
587.24005	1.0
604.24103	14.5
605.26038	10.1
605.34906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.7
59.01380	3.5
61.98825	1.9
62.07967	0.5
67.01908	0.8
69.03478	0.8
71.01385	4.3
71.60870	1.0
72.99314	1.3
75.00926	0.9
79.95732	4.7
80.96519	0.7
81.03466	1.1
83.01382	1.2
85.02937	0.7
88.98818	0.7
89.02447	2.4
91.80674	0.6
95.01392	1.3
95.95245	2.0
96.96016	100.0
97.02930	1.1
101.02448	2.0
107.01395	4.3
109.02946	0.9
111.00851	0.8
113.02464	1.8
115.89484	0.6
116.12150	0.6
116.92873	0.7
118.94234	1.1
123.00879	12.0
123.04561	1.4
124.01698	0.7
125.02447	23.2
125.06083	0.7
126.02761	1.0
133.02950	0.9
133.10222	2.9
135.04506	2.2
139.00391	3.1
139.03909	0.6
140.01134	1.3
141.01964	0.8
143.08656	0.7
145.03008	0.8
151.00375	11.8
153.01987	1.4
161.02448	1.7
161.06184	0.8
163.04041	1.0
165.01892	1.1
168.00618	2.4
169.01434	37.8
170.01773	1.0
170.25009	0.6
179.03490	0.8
189.01907	1.1
191.03439	0.7
193.01437	0.9
211.02501	6.5
211.13335	1.9
214.76476	0.6
225.14835	0.7
235.13272	3.0
253.03407	1.4
271.02234	1.0
271.04721	1.3
273.07974	4.9
275.01895	1.3
291.09091	11.3
300.02634	1.2
301.00177	0.8
301.03595	1.9
313.05722	2.4
323.07840	0.8
331.06601	1.5
333.10095	2.1
353.44678	0.7
359.15033	1.1
363.11096	1.8
393.11975	1.9
435.13339	18.7
436.13278	1.2
443.09811	1.9
453.07935	1.1
453.14340	22.5
454.14505	2.1
523.21857	3.4
525.19794	35.0
526.20062	3.5
542.23047	1.9
561.32605	0.8
595.41986	0.7
604.29596	0.7
605.15338	48.0
605.23322	1.8
606.15826	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	71.2
61.98841	28.5
69.47807	29.3
71.01392	24.7
73.02956	5.2
73.18009	5.1
75.00875	9.0
78.95933	4.8
83.01409	6.3
83.05038	8.0
83.45746	4.3
85.02957	7.3
88.98827	14.0
89.02455	8.6
96.96064	6.9
97.06556	6.7
99.00896	5.4
101.02458	14.2
101.06091	5.8
113.02460	13.2
125.02453	14.3
125.09729	6.4
128.43393	4.7
145.36789	5.0
163.11356	5.4
168.79755	4.9
171.10379	10.6
172.10707	6.1
185.11783	10.2
191.14398	10.9
197.11978	5.0
200.80655	4.9
207.10175	6.7
209.11855	100.0
211.13332	6.8
219.90233	5.0
225.11331	5.1
227.12936	8.6
245.19177	14.1
253.09326	38.0
272.37601	4.8
279.16058	20.7
289.18130	88.2
307.19138	80.4
308.19589	7.5
331.74417	5.4
603.28613	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	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57352	0.6
55.37265	0.7
59.01381	1.6
61.98830	4.6
67.01846	0.7
69.31178	5.9
71.01383	1.2
75.18021	0.7
83.01392	0.6
87.00900	0.7
90.56479	0.6
93.03461	3.8
95.01369	0.7
96.96006	5.7
101.02446	1.2
107.01385	1.3
107.05110	0.6
108.02184	0.6
108.78913	0.6
109.02960	1.2
110.26106	0.6
113.02459	0.6
113.80331	0.5
116.92861	0.7
121.02973	7.2
122.03748	13.9
122.89461	0.6
123.00909	2.5
125.02480	3.5
132.72060	0.6
133.02966	1.4
135.04568	2.0
136.01639	1.5
137.02454	3.8
139.00409	1.2
149.02452	16.0
150.03232	83.7
151.00388	2.7
151.03549	4.1
161.02466	0.7
162.03035	0.6
164.01212	0.7
164.04854	2.9
165.01947	21.6
165.05574	93.8
166.02611	0.9
166.06323	13.2
167.07184	1.0
169.01451	4.9
179.03500	4.9
180.04286	21.2
181.05118	3.4
181.08723	7.6
182.05286	1.2
183.05478	0.7
194.05824	1.8
195.06628	100.0
196.06946	4.7
199.70932	0.6
209.08131	1.0
210.05316	2.9
211.02515	2.1
225.07695	26.3
226.08043	1.4
230.94493	0.6
244.78024	0.6
271.04657	1.3
272.04877	1.8
299.99188	5.8
300.99854	2.4
329.10303	2.6
344.12561	2.0
359.14999	7.4
373.12878	3.3
407.17227	2.2
421.14911	2.0
491.88046	0.7
511.22018	0.8
540.21588	3.4
541.22986	10.2
555.21973	1.2
603.13373	5.0
603.30981	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	603.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	62.5
63.03880	2.4
70.93618	2.7
71.01385	19.1
71.58846	2.9
85.02997	3.7
89.02431	17.1
96.96011	28.2
99.04518	5.3
101.02427	11.6
109.02973	4.2
113.02480	7.0
117.05602	7.3
119.03506	6.7
122.11044	2.2
125.02458	7.5
133.28949	2.6
137.02405	4.1
143.07166	2.8
151.04012	3.2
157.22296	2.6
169.01376	6.1
203.03532	4.2
217.01399	2.9
221.98935	8.4
222.01140	2.9
229.01450	5.6
231.02867	2.3
245.00748	4.6
249.04071	9.7
257.00974	3.3
275.01990	8.7
279.10831	30.9
289.07233	12.0
290.07703	2.9
300.99966	15.6
323.13492	100.0
324.13660	4.3
457.01941	2.8
457.52509	3.2
458.03030	6.7
458.53210	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	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
61.98835	8.6
67.01879	1.0
69.39604	4.4
69.40013	1.4
71.01390	2.8
72.99328	0.7
83.69226	0.7
85.02953	0.8
95.01385	1.0
96.96021	6.9
99.19946	0.7
101.02468	1.1
107.01409	3.3
111.00901	1.5
123.00880	9.4
124.01638	0.8
125.02448	12.3
126.02795	0.7
135.04570	0.7
136.98810	0.9
137.65953	0.7
139.00386	3.0
140.01138	1.6
151.00389	7.5
165.01988	1.4
165.05609	0.9
168.00681	2.6
169.01445	19.6
170.01782	0.8
178.01123	0.6
195.06499	1.0
211.02495	2.1
226.80751	0.6
271.04703	2.2
300.02676	1.1
301.03107	1.1
313.05722	1.8
367.06015	0.7
539.21344	100.0
540.21704	11.0
566.12213	0.8
575.35742	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	602.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.11878	1.1
69.51711	1.2
69.66579	8.1
80.28648	1.1
85.06580	1.3
98.19839	1.3
128.12755	1.2
153.05586	8.8
180.04210	2.8
245.05960	1.2
281.58530	1.3
373.63577	1.2
449.18570	1.3
455.35266	4.9
483.27161	1.3
495.31039	4.1
539.30182	27.2
540.30560	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	602.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46977	0.4
61.98834	100.0
67.67279	0.4
68.41552	0.4
69.75558	2.0
70.86700	0.4
88.32239	0.4
98.20556	0.7
113.36164	0.4
124.97748	0.4
161.62642	0.3
214.79097	0.4
326.45380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.8
58.35660	1.3
59.01147	1.3
59.01389	16.0
61.45911	0.9
61.98835	57.2
62.35283	1.0
69.03458	1.3
71.01392	14.1
71.61476	1.5
72.99309	2.2
73.02943	2.4
73.35545	1.0
74.99089	1.2
78.95904	2.6
79.95738	2.1
83.01392	2.6
85.02962	4.6
87.00884	2.6
88.98803	1.6
89.02475	9.3
93.03462	5.3
95.01389	2.0
96.96026	18.7
96.96944	2.2
97.02958	1.3
101.02443	8.0
107.01376	1.9
108.02200	1.6
109.02942	3.7
111.00896	2.9
113.02464	7.4
116.92891	2.8
117.03469	1.6
119.03516	3.8
119.05033	1.7
122.03712	2.6
123.00884	5.3
123.04524	2.1
125.01625	2.0
125.02464	24.6
133.02982	31.4
133.06544	2.6
134.03760	1.7
135.04541	25.6
137.02441	8.6
137.06139	1.3
139.00377	2.1
139.07672	1.2
140.01178	1.6
141.01930	1.2
145.02892	3.3
147.04442	1.4
149.02460	3.9
149.06052	3.6
150.03230	5.1
151.00320	2.9
152.01201	1.6
153.01938	1.3
161.02460	96.0
162.02827	3.3
163.04051	2.7
164.04799	1.5
165.01959	1.5
165.05614	5.9
166.02687	1.6
167.03477	3.7
167.07108	5.3
168.00667	1.5
169.01443	33.3
170.01758	2.3
174.03238	1.9
175.03989	1.5
177.05580	6.2
178.06343	1.6
179.03508	22.7
181.05064	5.2
189.01900	6.4
190.02724	20.0
193.01469	1.6
195.06612	3.8
200.01118	1.7
201.01974	1.7
202.02719	4.2
203.03503	1.5
205.01555	1.2
205.12283	2.0
209.08247	1.4
209.11765	2.2
211.02458	2.1
211.09702	2.5
217.01347	2.0
218.02211	21.1
221.04509	5.3
222.01752	2.5
228.00571	5.6
229.01334	4.4
231.02919	1.7
245.00908	3.7
246.01753	5.4
247.02174	1.4
251.05579	5.0
256.00174	2.5
257.00934	9.5
258.01364	2.0
271.02319	2.5
273.00455	4.7
274.01212	97.2
275.01877	16.9
281.06705	9.9
298.23523	1.2
299.99326	2.2
300.02570	2.7
300.99902	2.9
301.03415	1.3
330.13290	2.8
331.13846	1.9
341.09000	3.4
343.11890	3.7
397.18436	1.5
427.01401	1.4
435.13278	2.9
441.17697	29.3
442.17874	2.2
442.99936	1.4
465.71942	1.1
490.14795	2.9
491.15506	1.7
492.16367	6.5
493.17059	7.4
498.99350	1.8
526.98584	2.4
541.23352	1.6
555.22894	2.2
559.21851	6.3
560.21613	1.5
585.19769	2.1
603.00513	7.7
603.17847	100.0
603.30072	16.3
604.18121	12.1
604.30145	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	602.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01383	1.5
61.98833	16.6
63.75524	0.6
71.01385	2.0
71.61548	0.8
73.91550	0.6
79.95739	0.8
85.02972	1.1
87.00832	0.7
95.01389	0.7
96.96021	13.6
97.02934	1.0
98.95634	0.8
101.02440	1.2
107.01387	4.1
108.58083	0.6
109.02951	0.7
110.66466	0.6
111.00883	2.0
113.02493	1.1
116.92867	0.7
123.00893	9.6
124.01734	0.9
125.02453	18.8
126.02805	1.7
135.04517	1.7
137.09709	1.4
139.00371	2.7
140.01161	2.6
141.01909	0.7
150.03175	0.8
151.00385	9.3
157.64798	0.6
161.02417	0.7
165.01939	1.3
165.05574	1.1
168.00615	3.6
169.01430	25.0
170.01773	1.7
179.03465	1.3
180.04297	0.8
181.05176	0.8
191.05450	0.6
195.02960	0.7
195.06680	1.8
197.15443	0.9
211.02524	2.1
221.63814	0.6
225.07683	1.2
225.14928	1.8
240.27118	0.6
253.03528	0.7
269.41315	0.6
270.17181	0.6
271.04666	1.4
313.05704	6.7
314.05951	1.2
317.02701	1.3
439.08554	1.0
440.09076	2.4
450.07986	1.1
500.06879	0.7
539.21356	100.0
540.21680	13.5
602.12305	5.0
602.22339	7.4
603.11493	0.8
603.26105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78987	0.8
57.03446	1.4
59.01374	3.2
61.98837	14.6
62.83803	0.9
69.51761	3.4
69.52186	3.3
71.01392	2.3
77.67228	0.8
83.01384	0.9
89.02436	1.0
101.02464	1.4
107.01399	11.1
108.01717	3.0
109.02959	1.4
121.02916	1.9
122.03756	2.3
123.00903	6.8
125.02452	16.2
126.02776	1.7
133.02950	1.4
135.04544	6.7
136.04826	2.5
136.98790	1.5
137.02461	1.1
139.00362	3.2
140.01143	1.1
146.25482	0.9
148.55219	0.9
149.02431	3.3
150.03233	13.1
151.00385	9.5
151.03860	1.3
152.00706	1.4
165.01889	1.1
165.04317	1.4
165.05592	17.0
166.06331	2.7
167.58138	0.9
168.00624	5.1
169.01450	20.9
170.01755	1.5
177.02043	1.5
179.03517	1.3
180.04292	2.6
181.08696	1.1
194.99344	7.0
195.06615	15.4
195.99670	4.0
211.02473	15.1
241.03444	1.4
243.06390	0.9
271.04614	25.0
272.04861	1.1
310.57318	0.9
313.05655	3.1
314.06119	1.3
329.10440	1.3
339.03577	1.2
340.03766	2.4
344.12546	1.6
359.15030	5.6
421.15939	1.0
450.11392	2.2
475.08871	3.5
476.09293	11.7
477.09308	1.2
539.21375	100.0
540.21667	11.5
602.12463	7.7
603.13098	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	602.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98831	6.3
62.28885	0.8
67.01878	1.9
69.52515	6.2
71.01389	2.6
89.02477	1.0
95.60056	0.8
96.96018	2.2
101.02456	2.7
107.01366	1.4
111.00898	1.3
113.02484	1.0
123.00056	1.2
123.00896	9.5
125.02454	11.2
126.84669	0.8
139.00374	2.3
140.01164	2.0
141.01968	1.4
151.00385	8.9
153.01985	1.0
168.00635	2.3
169.01440	19.6
211.02495	1.3
225.14932	1.0
271.04532	2.1
313.05634	1.7
376.91922	0.9
488.11090	0.9
539.21344	100.0
540.21808	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	602.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48327	0.5
59.01373	2.6
60.20961	0.5
61.98837	10.9
67.01884	0.8
69.63507	1.6
69.63941	2.2
71.01373	2.2
72.98011	0.6
79.01869	0.6
80.18346	0.5
81.67051	0.5
83.01399	0.6
85.02946	0.6
87.00928	0.6
89.02451	0.7
95.01405	0.8
96.96034	0.9
101.02443	1.8
107.01377	2.9
110.19008	0.6
111.00874	1.7
113.02431	0.8
121.02924	1.1
123.00903	9.7
125.02465	11.4
127.00415	0.6
139.00389	3.4
140.01149	2.3
141.01936	1.3
149.02434	2.5
150.03223	7.1
151.00378	7.9
152.00812	0.5
164.04755	0.9
165.01906	1.1
165.05568	7.1
166.02666	1.1
166.06367	3.7
168.00653	2.4
169.01442	14.1
175.07721	0.5
180.04230	1.4
181.05075	2.1
181.08704	2.0
182.05272	0.7
193.04848	0.7
195.06654	7.0
196.06935	0.8
211.02478	2.1
246.90889	0.8
271.04709	2.8
288.02823	0.7
313.05579	1.3
329.10425	0.9
341.46494	0.6
359.15012	3.0
373.13159	3.5
524.20148	1.0
539.21344	100.0
540.21692	11.7
540.35565	0.6
555.22473	1.7
602.21405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11753	0.7
57.03467	1.2
59.01384	4.5
61.98832	15.2
69.35323	5.4
71.01394	3.1
72.25560	0.7
73.02942	0.8
78.91917	2.1
78.95923	0.8
79.95743	0.9
80.91680	0.9
81.03500	0.7
83.01402	0.8
85.02949	1.5
89.02478	1.3
95.01341	0.7
96.96021	10.1
101.02433	1.6
107.01362	1.5
109.02988	0.9
111.00911	0.7
113.02471	1.5
116.92853	1.2
121.03043	0.8
121.06628	0.7
123.00883	3.1
123.04559	2.5
124.01672	0.8
125.02453	7.4
135.04555	6.7
135.08189	1.1
136.05316	2.3
137.02473	1.6
137.06093	8.0
139.00409	1.4
139.04041	1.8
140.01169	1.4
148.05289	8.1
149.06131	1.3
150.03229	1.2
151.00441	2.0
151.04028	9.5
151.07610	1.2
152.04797	66.2
153.05409	2.2
162.06879	1.1
163.07651	23.2
163.08951	1.2
164.04781	1.5
164.08011	0.9
165.05576	65.5
166.06012	2.2
167.03571	1.4
168.00667	0.9
169.01425	9.5
170.01865	0.7
171.10294	0.9
179.03555	1.9
179.07132	5.9
181.05156	2.0
181.08734	0.9
185.11867	2.4
193.01407	0.8
193.05060	1.0
195.06699	0.8
209.11783	0.8
211.02539	0.8
217.12445	2.3
257.17596	10.8
271.04703	1.0
273.07562	1.0
287.22385	1.1
301.00009	0.8
313.05792	2.3
385.23788	1.3
393.26889	1.1
403.25037	2.7
404.25201	0.6
411.27859	1.2
421.26083	5.1
422.26678	1.0
438.26236	38.6
439.26910	63.3
440.27310	5.2
449.27701	2.6
481.28253	2.9
501.19928	2.0
521.20447	1.3
601.16266	8.1
601.32483	100.0
602.17548	0.7
602.32697	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	601.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.8
60.99303	0.9
61.98835	18.3
62.67719	0.7
66.97266	0.7
69.03476	0.8
71.01401	3.0
71.61068	1.3
73.02950	1.4
75.75138	1.0
85.02959	2.0
87.00886	1.1
88.98820	1.5
89.02451	2.4
96.96037	2.9
97.06591	0.9
101.02431	2.1
102.17600	0.8
103.74735	0.7
113.02477	2.7
119.03538	1.3
123.00908	3.0
123.04553	2.8
125.02488	4.9
135.04552	2.0
135.08179	1.6
137.02472	2.9
137.06117	6.5
139.04042	1.8
148.05304	6.0
149.05923	0.9
151.00433	1.4
151.04057	9.1
151.07713	1.0
152.04808	51.0
153.01935	1.0
153.05508	2.0
153.09282	0.8
161.04469	1.2
163.07672	20.8
164.04765	1.3
165.00662	1.1
165.01938	7.6
165.05589	66.1
166.05978	2.2
167.03494	1.8
169.01474	3.2
171.10332	2.9
179.03543	2.8
179.05637	1.2
179.07117	6.3
180.04317	2.7
181.08752	1.6
186.13051	0.9
188.08479	1.9
193.05095	1.2
194.05870	1.0
195.06618	4.4
197.11649	0.9
199.13423	7.0
203.10773	6.3
209.11848	0.9
211.13347	1.9
213.15012	3.3
225.07770	4.4
239.16568	6.8
243.39114	0.8
257.17709	1.4
315.08978	0.8
317.06744	1.7
368.39658	1.0
376.00751	0.9
414.35587	0.9
421.25668	3.8
424.25110	1.1
438.20142	1.6
438.26242	37.3
439.18179	4.4
439.26935	47.3
440.27597	3.0
444.88788	0.9
449.27621	0.9
481.27942	1.4
553.21008	2.5
601.32404	100.0
602.32697	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	601.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61378	0.6
57.03448	1.3
59.01382	9.7
61.98835	22.5
67.01871	0.9
68.99828	1.1
69.03439	1.1
69.31673	1.2
69.32081	6.2
71.01385	9.3
72.99304	1.0
73.02946	1.6
79.01897	1.4
79.95753	1.0
83.01398	2.4
85.02949	2.9
87.00894	1.3
88.98804	1.0
89.02458	3.4
91.82331	0.8
93.03460	1.2
95.01385	3.4
96.96021	6.1
98.20585	1.4
99.00910	1.1
101.02454	5.9
107.01402	4.6
109.02921	1.7
111.00883	2.4
113.02448	3.3
119.03538	1.5
123.00902	16.7
123.04540	1.1
124.01682	1.4
125.02459	26.6
127.11240	0.7
135.04521	7.0
136.98877	0.9
137.02449	11.0
139.00392	3.8
139.03990	1.0
140.01164	2.3
141.01929	2.8
145.03064	0.9
149.02452	0.9
151.00369	11.3
151.04028	2.3
152.04851	1.7
153.05579	0.7
161.02472	1.0
163.04022	1.2
167.03532	0.7
168.00662	3.5
168.74202	0.8
169.01451	25.6
170.01859	0.9
171.10201	0.7
177.01932	2.4
179.03510	2.8
179.10779	1.2
183.06758	0.8
192.04161	0.9
193.01488	0.9
193.05023	1.2
211.02448	5.1
213.14954	2.2
269.21231	2.3
271.04593	7.0
287.05618	3.5
287.22293	21.7
288.22699	1.1
313.05606	2.3
331.06799	1.2
431.26465	1.1
439.17496	1.9
439.27252	0.9
440.83109	0.8
449.27606	30.9
450.28036	2.8
458.57980	0.8
521.66351	0.8
539.21680	2.5
543.24451	1.7
583.27478	2.1
601.28784	100.0
602.29083	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	601.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01383	9.9
59.86377	0.6
61.98535	1.0
61.98835	16.8
65.63007	0.6
67.01891	1.3
68.99848	0.7
70.36680	0.6
70.72050	0.7
70.78165	0.5
71.01388	9.0
71.05032	0.8
71.61620	0.5
72.99310	0.9
73.02942	2.2
79.01875	1.9
79.80203	0.6
83.01379	1.4
84.87562	0.6
85.02955	3.3
87.00874	1.0
89.02452	3.8
93.03436	0.8
95.01400	3.3
95.05000	0.9
96.96026	4.8
97.02970	1.1
98.95595	0.6
99.00903	0.9
99.08191	0.8
99.43779	0.7
101.02457	5.3
107.01411	3.2
109.02981	1.0
111.00878	2.2
113.02458	3.7
119.03506	1.4
119.04972	1.4
123.00888	13.9
123.04510	1.0
124.01674	1.6
125.02458	19.7
127.00394	1.1
133.02945	1.1
134.03688	0.7
135.04518	1.2
136.98831	0.9
137.02452	3.5
137.06062	2.8
139.00385	4.1
139.04048	3.9
140.01146	2.3
141.01889	1.4
149.02434	1.2
150.03201	0.7
151.00374	8.8
151.03999	1.1
152.04695	0.7
153.01913	0.8
161.02504	3.6
163.03954	1.2
165.01941	1.1
165.05603	1.0
168.00621	2.5
168.48709	0.6
169.01440	20.2
170.01787	0.8
171.10303	1.4
179.03522	0.9
179.07147	0.8
181.05092	4.7
193.03310	1.2
193.05075	19.6
211.02441	3.6
211.46587	0.6
212.73621	0.8
215.11328	0.7
247.49205	0.7
269.21240	5.5
271.04541	4.5
287.05856	1.0
287.09265	2.9
287.22302	22.5
288.22638	1.0
300.02762	1.0
313.05759	3.2
314.05740	0.7
331.06479	0.7
431.26459	0.7
449.27557	27.8
450.27713	2.5
480.23251	0.7
521.20709	3.1
539.21594	2.7
541.26300	0.7
583.27594	2.3
601.16187	8.5
601.28674	100.0
602.16541	1.9
602.28912	13.6
607.82672	0.8
609.19971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99038	0.9
59.01371	2.3
61.98837	17.9
69.35923	3.5
69.36347	4.8
71.01369	2.8
72.88058	1.0
78.95895	1.7
83.01394	1.2
93.03445	3.8
94.03764	0.9
95.01387	1.6
96.96017	8.0
101.02439	1.8
105.03437	1.0
107.01389	5.7
109.02937	2.5
111.00880	1.2
116.92831	2.4
119.75631	0.9
121.02962	6.5
122.03751	15.0
123.00882	5.2
123.04551	1.2
124.01692	1.2
125.02458	11.8
125.51448	0.9
133.02916	2.8
135.04526	6.6
136.01660	6.3
136.99074	1.2
137.02446	2.1
138.03145	1.0
139.00371	1.6
139.04062	2.3
140.01141	1.3
141.01891	1.0
148.05313	1.1
148.99678	0.9
149.02449	20.5
150.03235	99.3
150.71527	0.9
151.00377	21.9
151.03929	6.2
159.04552	5.8
160.05302	13.6
161.02463	7.0
163.03938	1.2
164.04836	5.5
165.05574	100.0
166.02727	30.2
166.05864	3.8
167.03432	1.0
168.00624	3.3
169.01421	10.0
173.06036	1.0
175.03983	1.9
175.07657	16.2
176.04771	3.9
176.08086	1.0
178.06389	4.5
179.03534	9.2
180.04274	7.6
181.05070	84.7
182.05363	2.8
183.70885	1.0
189.05693	1.0
191.07182	1.9
193.04843	1.1
193.08679	6.1
194.05873	8.6
194.99361	1.5
195.06630	65.8
196.06949	2.7
209.08173	16.1
211.02426	5.3
271.04639	9.6
282.05322	7.1
287.05573	5.3
297.07623	6.1
300.99826	1.7
312.09985	9.6
313.05685	2.0
313.10706	2.0
327.12320	18.1
328.12610	1.1
329.10287	3.8
331.06577	3.7
337.09937	0.9
343.11893	7.6
345.13290	4.4
359.11435	0.9
375.10141	1.0
375.14502	13.2
387.14383	3.3
449.10696	1.9
455.07739	1.0
475.08688	1.6
523.19513	6.5
538.19952	3.0
539.21387	19.9
553.20844	4.2
571.21625	2.7
601.11865	2.1
601.20886	2.1
601.28503	6.4
602.12518	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	601.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96400	0.4
71.01389	0.5
71.59148	0.5
73.20676	0.4
78.95910	58.0
79.95734	0.6
80.85234	0.4
89.02477	0.5
96.96039	23.7
96.96967	100.0
124.40344	0.4
138.53065	0.4
150.31906	0.4
199.00050	0.5
244.07378	0.4
259.02240	6.1
262.48688	0.4
439.08560	0.4
447.91867	0.4
503.15866	1.0
601.14081	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	601.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80458	1.7
59.01376	4.3
61.98834	18.4
71.01377	2.6
71.61015	3.3
93.03450	4.9
95.01398	1.8
96.96016	17.7
98.95598	2.8
107.01384	2.8
109.02935	3.3
117.05557	4.2
121.02953	7.9
122.03773	13.7
123.00873	9.0
125.02464	14.7
133.02899	3.2
135.04492	3.5
136.01695	4.5
147.04497	3.9
149.02449	23.6
150.03239	90.5
151.00397	16.1
151.03954	8.0
153.05586	2.4
158.03624	1.9
159.04497	6.8
160.05328	23.7
161.02425	8.5
161.06107	2.0
164.04778	6.6
165.05577	84.5
166.02736	37.4
166.05907	2.7
167.03275	2.1
168.00592	2.3
169.01414	15.7
173.06081	2.0
175.07669	21.8
176.04745	2.9
176.07622	1.9
177.05556	2.2
178.06296	6.5
179.03514	12.3
179.07138	2.8
180.04199	7.8
181.05074	100.0
182.05452	2.9
193.08763	10.6
194.05818	14.0
195.06641	58.1
196.06972	4.0
209.08189	25.1
211.02470	6.3
251.03490	2.1
271.04584	8.0
282.05374	9.5
297.07623	5.4
301.00006	10.7
302.00122	7.3
303.00519	4.3
312.02890	2.1
312.10056	9.8
313.10873	2.6
315.08676	3.9
327.12378	17.1
329.10275	8.5
343.11865	14.7
344.12250	2.6
345.13324	5.8
357.13434	2.5
375.14487	17.7
387.14462	4.6
405.15634	2.8
521.19971	3.5
523.19727	28.1
538.20209	14.4
539.13318	3.0
539.21350	50.8
553.20776	6.9
571.21594	2.6
601.22607	12.8
601.32257	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	601.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06058	0.8
53.01342	0.8
53.76617	0.8
57.03455	1.1
59.01375	1.7
61.98832	9.1
63.02417	1.0
65.00332	6.3
69.73012	1.4
69.73424	4.1
71.01392	2.7
81.03477	1.3
83.01402	3.3
89.97797	0.9
95.01402	1.2
96.96019	1.1
97.02935	0.9
98.20663	1.0
102.64200	1.0
107.01402	14.4
109.02954	2.0
114.83166	0.8
116.30557	0.8
116.92883	5.6
120.59296	0.8
121.02908	1.0
122.03706	1.1
123.00871	4.3
125.02459	32.0
131.05095	0.9
131.76907	0.9
134.03731	1.0
135.04538	34.4
137.02464	1.1
139.00366	1.2
149.02518	1.8
150.03223	9.1
151.00385	52.0
152.00809	1.3
159.04536	16.2
161.02477	8.5
164.04857	0.9
165.01964	5.0
165.05626	9.8
166.02695	1.9
168.00613	2.1
169.01434	33.6
170.01820	1.0
172.05385	1.5
172.49167	0.9
177.02014	1.6
177.05537	1.3
179.03496	2.0
181.05096	7.4
194.05865	1.1
195.06654	6.2
199.03796	1.0
201.05617	6.8
203.03513	4.4
211.02536	2.0
219.06664	3.1
225.05650	2.8
243.06645	20.0
244.06917	1.0
269.04639	1.3
271.04764	1.9
287.05618	14.0
289.07361	1.4
313.05658	25.8
314.05719	1.0
327.12289	1.1
360.37015	0.9
375.14731	1.3
391.95364	1.0
439.17361	1.0
449.10605	4.6
517.10052	1.2
557.12988	3.6
601.12073	100.0
601.26770	6.6
602.12305	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	601.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.4
59.01380	5.4
61.89999	1.9
61.98831	21.9
65.00326	9.0
69.47335	14.5
71.01385	4.6
78.95913	4.0
83.01402	6.1
95.01402	2.9
95.93645	2.4
96.96019	25.8
96.96964	6.2
98.20700	3.2
101.02439	2.7
107.01402	14.2
107.36446	2.0
109.02979	4.6
113.02460	1.9
123.00888	9.6
123.04643	2.3
125.02454	95.7
126.02747	2.7
133.02963	3.3
135.04535	29.6
139.00418	3.4
139.03973	2.1
149.02411	3.4
150.03206	3.8
150.44379	1.8
150.99191	2.8
151.00386	44.8
151.04041	3.0
155.14978	2.0
161.02472	6.9
165.02011	3.7
165.05504	4.9
167.03459	3.2
168.00604	3.2
169.01433	69.1
170.01881	2.4
177.02016	1.9
180.06757	2.0
193.01393	2.1
195.06639	3.1
211.02454	9.1
254.74898	1.7
271.04633	8.8
287.05713	7.6
300.99945	2.2
313.02133	4.4
313.05664	60.8
316.02139	3.5
439.08850	63.4
440.09235	4.3
459.51733	2.1
465.06912	7.7
491.08237	6.7
520.18738	2.5
538.20251	5.3
539.21313	15.9
601.12097	100.0
601.21808	12.3
602.12512	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	600.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19597	0.2
54.05588	0.2
59.01383	0.7
61.98834	100.0
71.01389	0.7
71.60908	0.3
75.00895	0.4
78.95980	0.2
79.01862	0.2
81.36962	0.2
85.02972	0.3
95.01405	0.3
96.96011	0.6
97.58360	0.2
101.02414	0.4
107.01450	0.3
109.02956	0.4
123.00917	1.0
125.02435	2.8
135.04564	0.3
137.02461	0.5
139.00360	0.3
139.04024	0.4
140.01160	0.3
150.03159	0.3
151.00403	1.0
151.04102	0.2
163.04066	0.2
165.01949	0.3
165.05589	0.4
168.00690	0.5
169.01414	3.6
170.01825	0.3
175.04182	0.3
211.02469	0.6
269.31427	0.2
271.04709	0.3
289.07239	0.4
300.02640	0.2
313.05670	1.1
390.51389	0.3
439.17883	0.4
456.57071	0.3
479.20676	0.3
493.17645	0.5
537.16962	1.4
597.82825	0.3
600.27252	1.1
601.12231	0.3
601.21277	0.9
601.29285	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	601.028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98826	2.4
69.54685	4.5
88.87200	0.8
88.87746	0.8
90.64853	0.9
114.98861	0.9
115.02525	6.2
117.00472	7.0
132.98248	1.8
141.00444	0.9
156.99913	2.6
157.03554	2.6
159.01512	78.0
160.01656	4.4
172.97687	1.2
174.99265	18.9
176.98128	8.0
201.02583	28.9
202.02728	2.5
217.00327	53.3
218.00615	1.3
230.96713	1.0
253.57770	0.8
259.01538	3.4
272.51669	0.8
274.99371	2.6
301.02707	59.5
302.02853	6.6
314.98816	1.6
317.00458	40.7
318.00671	2.7
332.98291	1.3
347.34464	0.8
359.01526	21.6
360.01572	1.4
374.99344	2.7
451.19678	0.8
459.01648	14.2
460.01456	2.1
498.99466	1.2
541.00647	34.1
542.00739	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	600.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64610	1.9
58.50937	1.4
59.01402	4.0
61.98828	6.7
71.01376	2.4
85.02959	1.8
92.75384	1.8
93.41894	1.8
95.01352	1.9
96.96030	1.9
107.01362	2.8
111.00842	1.9
113.02451	1.8
123.00905	10.1
125.02462	14.6
136.98859	2.7
139.00385	4.1
140.01187	2.0
149.72357	1.6
151.00356	7.3
168.00623	5.0
169.01447	24.4
211.02432	12.2
229.57158	2.2
246.90375	1.8
266.69785	1.6
271.04556	24.3
287.89990	1.7
300.99948	3.8
327.46008	2.0
331.06647	3.6
537.19818	100.0
538.20264	10.9
581.52960	1.6
583.85413	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	600.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16838	0.7
59.01381	1.3
61.98831	4.0
63.84901	0.8
64.00660	0.7
69.87192	3.7
71.01388	1.4
89.02467	1.0
95.01423	1.2
101.02470	0.9
107.01406	2.0
111.00819	0.9
113.02464	1.6
123.00905	7.5
125.02459	10.5
136.98833	0.9
139.00395	2.2
140.01208	1.8
141.02022	1.3
151.00397	6.8
151.04079	0.9
168.00667	4.0
169.01443	16.1
211.02492	4.8
271.04608	7.3
313.06223	0.8
315.44955	1.0
537.19781	100.0
538.20056	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	599.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
60.99328	0.3
61.98833	4.1
67.03049	0.3
71.01405	1.5
72.99316	1.4
73.02962	0.4
75.08941	0.3
83.05055	0.3
85.02966	0.9
87.00880	0.6
88.03918	0.4
88.98824	1.1
89.02448	1.0
95.01402	0.4
96.96030	1.7
97.02924	0.4
100.03756	0.3
101.02466	1.1
109.02975	0.4
111.02021	0.9
113.02460	1.1
116.92815	0.5
123.00873	0.6
123.04517	0.4
125.02470	1.2
125.09743	0.4
135.04546	0.8
137.06088	13.1
138.06503	0.3
139.03987	0.4
149.02435	0.4
151.00372	0.5
152.04805	3.9
153.05551	1.1
161.04544	0.5
163.07658	1.4
165.05574	100.0
166.05908	3.5
167.03586	0.5
169.01405	1.1
171.10277	10.5
179.03516	0.4
183.10246	0.4
185.11963	0.5
188.08272	0.5
203.10822	0.7
209.11839	9.1
210.12115	0.5
215.12973	0.7
221.11920	0.7
229.14380	0.4
253.09253	0.7
299.99283	0.8
300.99939	0.9
337.52036	0.4
363.21893	0.7
371.14841	0.4
419.24438	2.3
437.25406	40.6
438.25848	4.1
450.65405	0.3
479.26450	0.6
537.20874	0.4
581.28906	0.8
599.30707	23.8
600.31067	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	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20030	1.0
59.01391	2.4
61.54444	1.2
61.98827	4.3
70.30069	1.2
71.01391	3.1
87.42696	1.1
88.27637	1.2
95.01387	1.9
98.19930	3.0
98.78009	1.2
107.01389	3.2
123.00893	7.6
125.02468	12.1
139.00401	3.3
140.01187	2.0
151.00420	6.8
168.00638	3.9
169.01436	19.6
211.02492	6.6
271.04572	9.2
313.05603	1.6
537.19806	100.0
538.20239	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	599.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
61.98833	14.4
65.00321	2.4
69.29799	1.5
69.30206	7.6
71.01373	4.8
72.99292	2.8
73.41609	0.9
79.95702	1.0
83.01377	2.1
85.02924	1.7
85.07619	1.1
88.98811	4.6
89.02464	1.8
93.03465	1.6
96.96020	4.5
98.20648	2.1
101.02437	2.9
101.96563	0.9
107.01392	6.5
109.02943	0.9
113.02414	1.3
117.03449	0.9
119.05036	6.2
121.02914	1.1
123.00848	1.9
125.02459	7.8
130.67734	0.9
132.02129	1.4
135.04520	2.1
137.02457	1.8
137.06093	1.0
143.04601	1.6
145.02974	2.3
151.00366	15.4
151.03920	1.9
152.04741	1.4
160.01617	3.1
163.11324	1.0
165.01953	2.4
165.05605	5.4
167.03543	1.1
169.01413	9.0
171.10280	30.0
179.03362	1.3
180.07942	1.0
193.05138	1.5
209.11848	23.4
242.09550	2.6
253.09160	1.1
257.11902	2.0
258.08966	1.6
268.07385	1.5
269.07965	2.1
270.09000	6.9
271.06155	23.3
282.08875	1.6
284.06924	2.3
285.07974	1.7
285.11276	11.4
286.08475	2.9
289.07129	2.0
295.09741	1.8
296.07004	1.0
298.08478	5.4
299.09299	8.8
300.99997	1.4
301.10812	3.1
310.08344	2.1
311.09219	3.8
313.10846	3.1
314.08032	8.4
319.04541	1.0
323.09216	1.6
324.09970	1.7
325.10727	4.6
326.07819	4.1
326.11609	2.6
329.10327	25.2
330.10596	2.3
340.12878	1.4
341.10300	32.8
342.10400	1.2
344.12653	38.9
345.12741	2.7
356.12640	11.7
357.13223	1.5
359.15005	100.0
360.15341	6.6
363.21484	1.5
371.15005	66.9
372.15198	4.7
437.25104	3.6
479.15399	1.2
504.37653	1.0
506.50653	1.1
592.85236	0.9
599.23511	7.1
599.30676	5.4
600.29236	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	599.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29623	1.0
54.31788	1.0
59.01382	7.9
61.98830	48.7
65.00332	1.7
69.03470	1.0
71.01379	6.0
71.05021	3.2
71.60613	1.6
71.60983	1.0
72.99310	1.1
73.02965	2.1
75.00875	3.9
77.03983	1.1
79.01887	9.5
81.03521	0.9
83.01402	1.7
85.02967	2.3
88.98822	2.7
89.02460	2.0
93.03471	4.1
94.84585	1.0
95.01393	2.6
95.05015	1.6
96.96018	12.1
97.02962	5.3
97.27361	0.9
101.02458	3.4
107.01389	8.2
109.02971	1.2
111.00881	2.9
113.02481	2.8
117.03460	1.5
119.05025	21.1
120.05360	1.3
121.02957	9.0
123.00888	13.9
123.04539	1.4
124.01766	1.8
125.02454	51.4
135.04623	1.5
137.02464	2.2
139.00357	5.1
139.04015	34.3
140.01144	3.5
141.01942	2.6
145.02948	4.5
150.03207	2.5
151.00388	12.1
153.05617	1.5
161.02486	1.5
163.04076	1.6
165.01938	24.5
165.05586	2.8
166.99838	1.1
168.00609	5.6
169.01436	73.5
170.01816	1.7
175.04056	1.0
177.01875	1.1
179.03564	5.5
179.04881	1.1
181.05083	1.3
183.03041	1.4
189.01967	1.0
191.03488	3.7
193.04980	1.8
195.06601	1.7
209.24713	0.8
211.02449	8.9
217.31525	0.9
218.18004	0.8
223.02411	1.0
241.03523	2.7
253.03664	1.4
271.04510	4.3
285.07730	22.9
300.99866	1.2
301.03555	1.8
305.60913	1.0
309.07562	1.1
313.05652	63.3
314.06076	2.6
327.21552	1.2
379.26013	0.9
387.09915	1.1
396.15222	0.9
403.13992	1.1
409.32614	1.0
453.10385	43.2
454.10690	4.1
479.08551	4.6
505.09775	4.1
599.14081	100.0
599.26990	41.4
600.14545	10.5
600.26965	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	599.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01530	1.4
57.03449	2.3
58.99604	3.8
59.01093	1.9
59.01379	28.1
69.41526	6.5
69.41955	4.0
71.01403	6.4
73.02937	1.6
74.99106	1.9
80.91689	4.7
85.02934	1.7
87.00887	8.3
89.02448	5.1
95.01374	1.5
95.86894	1.2
96.95998	3.3
98.20586	2.3
99.00833	1.6
101.02442	2.7
102.98593	8.0
103.64316	1.2
107.05044	4.4
115.05845	1.9
116.79195	1.3
116.92859	1.5
120.99667	14.0
123.00869	1.7
125.02448	7.0
131.03473	2.1
133.05095	3.0
149.02406	15.8
149.04482	2.1
150.03232	6.9
155.09016	5.8
161.02339	1.5
164.04829	3.8
165.05548	6.9
165.09200	10.9
169.01422	9.1
173.10040	64.0
181.17935	1.3
195.06548	6.3
199.07973	5.5
211.02472	1.4
217.09062	4.7
243.10423	2.4
261.11664	3.9
275.01987	2.6
287.09576	4.7
301.00018	5.2
305.10626	100.0
306.10999	7.4
314.11670	8.0
327.07535	1.8
329.13934	32.0
330.14328	2.9
377.16013	16.4
398.12012	1.4
447.11465	3.6
578.14539	1.5
599.10718	2.4
599.20209	42.5
600.20844	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	598.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11815	0.9
59.01385	3.9
61.98835	100.0
69.16554	0.9
69.38401	9.1
71.01388	4.8
72.99326	1.3
75.00869	5.5
79.95754	2.9
81.03468	11.3
82.10229	1.1
83.01425	1.8
83.05030	28.0
83.05531	1.5
84.05354	2.7
85.02956	1.7
87.00875	1.1
88.67518	1.2
89.02469	2.0
95.01434	1.7
96.96021	33.5
99.00908	1.2
100.07726	5.0
101.02441	2.5
107.01421	2.5
109.02991	2.1
111.00897	3.4
113.02451	2.5
119.36421	0.9
123.00881	6.3
123.04581	1.3
125.02471	15.5
135.04549	33.4
136.04866	11.8
137.02437	1.6
139.00380	4.1
140.01186	3.4
149.02487	1.2
150.03342	1.2
151.00403	4.2
151.03992	1.8
165.05522	1.5
168.00658	10.1
169.01431	27.9
170.01830	1.6
175.04028	1.7
177.01938	1.8
179.03520	35.3
179.05135	1.9
180.03860	14.8
181.01469	2.2
189.01970	1.5
190.02393	1.9
193.05089	1.3
199.18259	5.8
200.18575	1.5
210.01491	1.2
211.02486	12.4
217.01381	1.5
218.01764	1.1
221.11874	2.2
225.16061	6.0
231.02954	1.4
241.03494	1.8
243.17111	13.4
244.17494	4.1
270.03787	2.7
271.04636	11.6
285.04147	1.6
297.06232	1.7
300.99942	4.1
313.05746	4.8
338.10007	1.2
341.06787	2.7
342.07141	3.1
344.44193	1.1
353.20883	4.5
354.21078	1.3
386.66953	1.3
435.10672	2.1
436.11139	5.5
452.33801	1.2
469.33948	7.0
470.34253	6.9
510.11865	1.6
518.13806	2.4
535.18243	70.7
536.18579	9.2
538.33667	1.7
580.37592	1.4
597.38788	50.3
598.08936	8.0
598.39136	52.4
599.10406	4.5
599.20862	15.5
599.39087	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	599.1052
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
54.78072	0.4
57.03437	0.5
59.01377	1.2
61.98835	5.8
63.02393	1.6
65.00331	4.4
69.50480	3.1
71.01394	1.2
75.00874	1.4
76.72243	0.4
83.01395	2.6
85.02954	0.7
88.98814	1.5
91.01896	0.5
93.03459	1.5
95.01421	0.5
96.96021	2.6
107.01405	7.8
108.02176	0.4
109.02968	3.8
114.93428	0.8
119.01402	0.6
121.02125	0.9
121.02959	8.2
122.03797	0.5
123.00907	1.1
125.02457	4.1
129.23978	0.4
135.04565	0.7
135.81291	0.4
137.02477	0.8
139.00398	0.5
139.04008	1.5
140.01140	0.6
143.05147	0.4
145.02951	0.6
149.02510	2.1
149.06070	0.6
150.03221	2.2
151.00385	31.2
151.03986	0.8
151.92804	0.4
152.00775	0.6
152.75343	0.4
159.04475	0.8
161.02509	1.0
161.64934	0.4
163.00385	3.2
164.01149	0.8
165.01906	0.9
165.05592	2.4
165.09172	0.7
168.00647	0.5
168.63121	0.4
169.01453	4.8
171.10246	0.5
175.04039	0.8
178.99872	14.7
179.03465	0.7
179.07124	0.5
181.05035	0.7
183.04507	0.8
187.04057	0.6
191.00011	0.5
193.01480	0.6
195.06711	1.3
201.05528	0.8
211.04044	1.1
227.03557	2.0
229.05042	1.6
243.02885	0.6
245.04550	2.3
255.03033	3.5
256.03741	0.5
271.02420	1.4
273.03979	2.3
283.02576	2.2
300.02728	1.2
301.03549	100.0
302.03873	6.2
328.09320	0.6
343.12024	0.8
403.14050	2.9
437.29202	1.0
453.10580	0.7
463.09067	0.5
519.18903	0.7
527.21967	0.6
537.20148	1.4
556.00818	0.5
585.75720	0.5
599.10284	7.7
599.25739	3.3
600.10986	0.6
600.27142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.99308	0.2
61.98835	100.0
69.29488	1.6
70.30919	0.2
71.01402	0.4
86.58810	0.2
88.98820	1.9
89.02485	0.4
91.31346	0.2
96.96015	0.3
120.90972	0.2
125.02494	0.3
151.00349	0.2
164.44537	0.2
165.05635	0.2
169.01332	0.2
173.31999	0.2
227.07288	0.4
264.64191	0.2
286.66699	0.2
316.02542	0.3
596.13934	0.4
596.42474	0.2
597.28271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2922
Annotation	Forskoditerpenoside D
Peak:m/z	Relative Intensity
53.40646	0.8
55.01898	0.7
59.01385	6.6
61.98834	15.5
67.42384	0.9
69.65572	5.0
71.01369	3.7
85.02960	1.4
88.98778	1.9
89.02441	2.5
96.96028	1.6
97.02982	1.0
101.02469	1.5
107.05019	2.4
113.02475	1.5
116.85110	0.8
123.04526	1.4
125.02428	2.9
135.04538	7.5
136.05280	1.0
137.02431	1.8
137.06099	13.8
138.03246	8.2
139.04033	1.0
139.11327	1.0
149.06126	1.0
151.00291	1.1
151.04022	5.6
151.11267	1.6
152.04808	23.7
153.05589	59.0
154.05937	1.4
155.10707	1.0
165.05585	100.0
166.05919	3.4
169.01305	1.2
171.10396	0.9
179.07126	1.1
183.10249	1.1
185.12009	0.8
188.08415	0.9
192.43634	0.7
203.10826	0.8
205.08733	0.9
207.10130	1.1
211.77437	0.9
219.17448	2.8
227.12846	2.0
229.14380	2.0
249.14940	1.1
263.16537	5.0
269.17648	7.6
281.17679	7.5
303.12311	1.0
314.09927	1.1
357.70908	0.8
382.57443	0.8
382.98465	0.9
399.21875	4.9
406.72058	0.7
417.22815	14.4
418.22900	1.0
435.23901	67.1
436.24228	6.2
436.29605	1.1
477.25150	1.4
503.33679	5.5
597.29108	49.9
598.29425	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	595.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79656	1.0
65.32806	1.1
69.73251	1.9
69.73646	6.1
75.23862	1.1
80.97029	1.1
81.03451	1.2
83.01398	1.8
98.20672	1.1
109.02966	1.5
119.05026	1.3
123.00874	3.9
124.01643	4.2
125.02467	5.0
135.04514	1.2
137.02467	7.8
138.03239	3.1
145.02927	1.3
147.04510	1.0
149.02458	2.0
151.00443	1.2
152.01198	1.8
153.05554	1.4
153.37207	1.1
161.02461	2.1
162.03091	1.2
163.00340	2.2
163.03995	2.6
174.03267	1.2
175.03986	3.9
177.01869	3.4
177.05560	2.3
179.03513	2.3
191.03510	3.4
192.04286	1.6
201.05559	3.1
203.03551	3.2
204.04097	1.3
216.04335	1.3
217.05023	2.2
218.05899	1.2
231.06610	2.1
236.02707	1.1
243.02930	1.8
245.04388	1.4
273.11349	1.1
287.05685	1.3
301.21625	3.2
314.05151	1.0
317.10303	2.2
317.24933	1.0
341.24857	3.4
385.23932	13.4
397.23901	13.7
398.24216	1.3
409.23965	1.1
423.25369	13.6
424.25702	1.5
430.80310	1.2
515.24237	1.2
521.25452	2.2
529.26025	1.1
531.27380	3.4
532.24506	1.4
533.25354	2.5
535.26685	5.3
547.26984	14.1
548.27509	1.6
551.30139	6.5
577.31757	100.0
578.32196	15.2
595.32806	81.9
596.32971	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.42095	0.5
59.01362	0.8
69.61615	1.9
69.62026	2.4
78.95907	69.4
80.91681	0.7
96.96964	13.9
98.19858	0.8
104.60441	0.6
112.42338	0.5
116.92877	0.6
118.18093	0.5
150.98038	1.2
152.99594	97.1
161.02345	0.7
171.00697	3.2
177.98900	0.7
178.79286	0.6
223.00113	10.8
241.01193	28.8
259.02237	1.9
271.02600	1.4
279.23294	68.3
280.23663	4.3
287.01953	0.8
315.04892	16.2
316.02267	3.8
316.05383	1.0
331.85382	0.6
333.06046	0.9
595.13239	3.8
595.28900	100.0
596.29175	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	595.2039
Annotation	Staunoside C
Peak:m/z	Relative Intensity
51.62154	1.0
54.25024	0.8
55.01889	1.1
57.03450	1.0
59.01386	18.0
64.13498	1.0
65.00320	1.3
69.48417	0.8
69.48573	1.3
69.49007	5.6
71.01388	15.3
72.99316	2.3
73.02950	2.6
73.97906	1.1
74.99060	1.1
79.01894	1.6
83.01388	2.8
85.02960	4.7
87.00906	1.4
89.02448	9.7
93.06089	1.0
95.01382	3.1
96.96051	1.5
98.20608	1.5
99.00875	1.1
101.02476	11.3
107.01418	6.4
111.00889	3.1
113.02499	4.6
116.92834	1.7
119.03499	3.1
119.05027	1.1
123.00909	13.1
124.01733	0.9
125.02456	20.7
137.02467	1.2
139.00377	3.7
140.01173	3.0
141.01921	1.4
151.00404	11.0
161.04668	1.2
168.00636	3.1
169.01439	22.2
179.00040	1.3
193.34290	1.0
211.02473	1.7
270.98892	1.1
271.02240	1.2
271.04822	1.6
300.02649	1.7
300.99911	3.1
313.05911	1.5
316.02267	1.9
351.71500	1.0
396.57806	1.1
397.05707	1.8
443.13193	1.4
443.19266	22.8
444.19730	2.2
551.21423	19.2
552.21716	2.2
561.83203	1.2
577.19476	3.3
595.20447	100.0
596.20941	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	595.1671
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.10077	1.3
51.84439	1.7
59.01366	2.0
65.00314	1.7
65.03985	1.8
65.71331	1.2
68.99848	1.5
69.94515	6.6
71.01372	2.5
72.99309	2.0
79.01877	3.0
79.95737	5.5
81.03482	3.2
83.01378	3.5
85.02962	1.6
88.48392	1.3
93.03472	8.6
95.01395	2.5
95.95266	2.6
96.96009	26.5
97.02949	5.3
107.01387	8.7
109.02959	4.9
110.97565	1.9
111.00899	2.4
111.04492	2.7
113.02493	2.0
119.05035	46.1
120.05438	1.9
121.02960	5.5
123.00893	3.9
123.04563	4.6
125.02469	15.0
125.64648	1.5
133.02985	1.8
135.04562	3.8
137.02449	6.1
139.04007	6.3
143.05032	6.9
145.02957	7.0
147.04543	5.7
149.02449	5.7
150.03349	1.3
151.00392	4.2
151.04031	2.9
153.01923	1.7
159.04488	1.7
161.02451	2.5
161.06059	1.9
162.03270	1.2
163.00371	3.9
163.04007	4.7
164.01164	2.2
165.01926	5.6
167.03505	10.9
169.01418	4.3
175.03993	3.5
177.01921	8.5
177.05598	1.4
178.02719	2.5
179.03560	3.1
185.06093	1.4
187.04018	9.1
189.02078	2.0
190.02707	2.6
191.03488	5.2
192.00714	1.9
193.01411	12.5
197.04553	3.4
199.07687	3.9
200.01184	1.4
203.03477	3.3
205.01437	10.0
205.03098	1.6
205.05286	2.1
207.03049	5.8
209.04475	5.3
211.07646	1.5
215.03448	2.2
217.01454	3.1
219.03044	6.1
221.04591	3.1
223.02492	2.9
227.07208	3.0
229.01509	2.3
235.02498	16.9
239.05573	2.0
241.08681	1.7
243.02876	1.6
245.00844	3.5
247.02490	2.6
249.04034	5.7
257.00858	1.6
261.03992	1.9
265.03320	7.1
265.08578	2.1
270.99020	2.8
271.02368	2.3
271.06125	5.7
273.00702	3.1
274.01230	3.0
275.02051	6.8
283.06122	2.9
287.02209	1.5
289.07367	1.8
298.39996	1.8
298.98270	4.6
299.01712	2.5
299.09589	1.5
299.99161	8.9
300.99936	14.4
301.03116	2.5
311.05661	1.5
311.09167	1.6
313.07178	23.7
325.07303	7.7
327.08658	2.6
339.08878	1.8
343.08151	6.8
355.08221	100.0
356.08691	7.0
367.08252	4.7
371.07858	4.4
378.69678	1.5
385.09293	81.2
386.09775	5.6
389.08560	1.6
397.05618	6.0
397.09607	4.1
398.06708	1.8
415.05756	2.7
415.10733	20.2
416.10867	2.4
427.10284	2.6
457.11493	9.9
475.12457	46.1
476.12930	4.8
480.05377	3.4
487.12415	6.4
505.13705	12.5
515.12231	30.1
516.12665	4.3
551.14728	2.8
577.14813	5.2
595.16821	90.4
596.17078	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	595.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.5
59.01376	2.2
59.66491	0.4
61.98835	15.0
63.02385	0.7
63.49383	0.4
65.00325	14.8
66.00625	0.4
71.01388	1.7
73.02956	0.6
75.00883	0.8
78.95861	0.4
81.03464	0.5
83.01382	6.3
85.02939	0.7
88.98817	1.4
89.02444	0.8
93.03456	0.9
96.96036	1.5
97.02953	0.6
101.02438	0.9
107.01395	23.4
107.05041	0.7
109.02942	2.8
113.02438	0.6
117.03459	2.2
119.05006	2.0
121.02938	1.2
123.00890	0.4
123.04503	0.4
125.02454	7.8
131.01395	1.3
133.02963	1.5
134.03761	1.8
135.04532	69.1
136.04840	2.1
137.02487	1.0
139.00449	0.5
139.04068	0.4
145.02959	8.6
151.00378	100.0
152.00734	2.7
161.02458	4.6
163.04019	1.6
164.01167	0.5
165.01923	1.5
169.01431	2.6
173.06020	0.4
175.00372	5.7
175.01775	0.6
177.01973	2.3
179.03464	0.7
179.10667	0.6
193.01419	1.5
202.99927	0.6
203.03569	0.5
205.01465	0.4
205.05077	0.5
209.08304	0.7
229.64648	0.4
257.63132	0.3
269.04562	1.0
270.01651	0.7
271.02554	1.7
271.05984	0.8
287.05609	78.0
288.05917	4.6
307.08237	11.9
308.08569	0.4
311.05579	1.4
316.02225	4.8
433.09201	0.7
449.10849	0.8
459.09375	2.6
595.14429	21.2
595.24811	1.8
596.14960	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	595.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.5
65.00352	0.6
69.44436	2.8
69.44846	0.6
72.71314	0.4
83.01376	0.6
86.57584	0.4
89.02465	0.5
103.96905	0.4
107.01402	1.3
117.06561	0.4
124.01680	3.0
135.00903	0.7
136.01700	0.6
137.02559	0.5
151.00378	4.4
152.01096	1.2
159.04619	0.5
163.00410	0.9
164.01184	1.7
177.01993	0.4
178.99860	6.7
183.38696	0.4
193.20551	0.4
203.03510	1.2
214.02719	6.6
215.03419	0.8
225.61124	0.4
227.03409	0.7
232.03789	0.6
242.02202	7.1
243.02890	4.5
259.02451	7.4
260.02866	0.7
270.01740	6.8
271.02484	41.9
272.02847	2.1
287.02005	23.9
288.02579	2.8
315.01422	1.8
316.02249	100.0
317.02701	9.9
345.09082	0.4
456.11966	0.5
595.13068	80.9
596.13470	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	595.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
59.25151	0.5
61.98808	0.7
65.00330	1.1
69.47699	3.6
83.01382	0.7
83.08508	0.6
83.08978	0.5
83.44528	0.5
87.65549	0.5
89.02475	0.8
96.96019	1.2
107.01400	1.8
108.02175	1.4
121.02943	0.8
123.04534	0.8
124.01653	1.5
125.02469	1.7
131.01471	0.6
134.01321	0.5
135.00931	0.6
137.02481	0.6
145.02962	0.5
148.01672	1.4
151.00372	6.3
152.01173	1.0
163.00294	0.9
164.01154	1.9
169.01414	2.6
171.04442	0.5
177.01868	0.6
178.99875	5.8
187.03877	0.6
187.79858	0.5
199.03989	0.6
203.03445	1.2
214.02780	3.2
215.03421	0.9
226.02777	0.6
227.03513	2.0
229.01337	0.9
231.38139	0.6
242.02235	3.2
243.03000	8.6
244.03700	0.7
249.04007	0.9
255.02982	15.3
256.03458	0.6
259.02429	4.0
270.01672	4.1
271.02487	58.7
272.02905	4.5
273.03879	0.6
274.01266	0.8
287.01968	13.4
288.02527	1.5
299.02023	1.8
300.02759	65.3
300.99823	2.2
301.03354	9.2
315.01395	1.1
316.02243	50.8
317.02722	4.8
397.05826	0.6
415.06689	0.7
522.73041	0.6
577.11652	0.7
595.13043	100.0
596.13330	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1469
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03438	2.4
59.01378	3.8
61.98836	31.6
63.02398	1.5
65.00325	16.1
66.38483	0.7
71.01382	2.7
72.99290	0.7
73.02957	1.0
81.03463	0.9
83.01403	6.6
85.02946	1.0
89.02468	1.5
96.96013	2.4
98.20620	1.7
101.02461	1.5
104.31578	0.6
104.59822	0.6
107.01398	23.1
107.02127	1.2
108.01710	1.2
109.02979	1.8
111.21439	0.6
117.03471	7.0
119.05045	5.3
121.02957	1.8
123.00932	0.8
125.02460	14.4
133.03006	3.9
134.03786	2.9
135.04533	78.1
136.04863	1.8
137.02466	1.1
139.04001	1.0
145.02966	29.9
146.03352	1.5
148.64432	0.7
151.00381	100.0
152.00751	1.9
159.04544	5.3
160.01709	1.1
161.02466	21.1
163.04015	5.3
165.01932	1.4
169.01405	2.7
175.04121	0.7
177.01962	2.8
179.03438	1.1
183.03041	1.1
197.25371	0.6
201.05603	2.1
209.08304	1.0
214.02765	1.0
224.79112	0.7
225.05638	1.0
242.02153	0.6
243.06631	11.6
269.04666	1.1
271.02319	3.4
287.02322	2.3
287.05606	41.8
288.05917	3.1
297.09760	0.8
307.08221	15.5
316.02249	8.4
405.12186	0.8
431.10059	1.0
443.13684	4.8
449.10803	10.2
469.11359	10.7
470.11679	0.9
533.23950	2.7
551.15924	1.4
595.14325	43.3
595.23438	2.5
596.14783	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	594.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43221	0.2
51.71729	0.2
59.01376	1.1
61.98837	100.0
69.30602	0.8
69.31015	1.4
71.01389	0.6
72.99315	0.3
88.98877	0.2
89.02500	0.4
96.96004	1.2
98.19905	0.5
101.02499	0.4
117.03502	0.5
119.05090	0.4
121.02956	0.4
123.00935	0.4
125.02483	0.8
133.02971	0.4
135.04562	1.8
137.02507	0.4
138.03268	0.3
139.04022	6.1
139.05109	0.3
145.02971	1.8
151.00401	0.4
159.68575	0.2
161.02460	0.4
163.04015	0.3
165.01987	1.2
169.01488	0.6
179.03506	0.4
179.10774	0.3
183.02995	5.7
209.08273	0.4
243.06644	0.4
259.02469	0.3
263.86664	0.2
268.07275	0.4
271.02438	1.2
271.05060	0.3
287.02054	0.7
299.99124	2.4
300.99615	3.2
301.02292	0.2
301.07047	1.2
302.00293	0.9
315.01416	0.4
316.02228	2.5
531.22522	1.5
594.09729	2.2
595.14386	2.2
595.24646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02758	0.6
58.11551	0.6
59.01390	4.0
61.98835	100.0
64.07096	0.7
65.00330	1.5
71.01389	4.8
73.76696	0.6
79.95788	0.5
83.01402	1.5
84.60585	0.6
85.02965	1.4
87.00861	0.6
89.02476	1.5
93.03485	0.6
96.96024	2.3
98.20740	1.3
101.02466	2.3
105.02746	0.6
105.03481	0.6
107.01412	2.7
107.05013	0.8
109.02975	0.9
111.56310	0.6
113.02468	1.6
117.03501	1.1
119.05038	5.9
121.03019	0.7
125.02446	6.3
133.02959	12.0
134.03784	0.9
135.04539	20.1
137.02513	1.0
137.09840	0.8
139.04021	0.8
145.02997	1.6
148.05276	0.8
149.06125	3.0
150.99181	1.0
151.00366	11.7
153.05624	0.9
161.02457	39.9
162.02853	1.1
163.04008	1.0
165.05603	1.6
169.01463	1.7
169.28716	0.6
175.03976	0.7
177.01920	1.2
177.05588	8.0
179.03511	29.2
180.03835	0.7
181.05109	1.1
203.03558	1.6
215.18587	0.5
221.04565	15.7
221.06534	1.2
222.04982	0.8
225.07706	1.0
251.05627	13.1
252.05992	0.7
262.36563	0.6
269.93814	0.7
271.02698	2.0
271.06235	10.6
281.06680	24.9
282.07095	1.4
285.04114	0.7
287.02069	1.4
301.00061	0.7
315.01379	0.7
316.02313	4.8
323.07703	11.8
341.08777	31.5
342.09201	2.4
375.27661	1.0
449.11365	0.9
531.22382	12.7
532.22150	1.2
594.14636	1.1
594.23987	0.9
595.14392	8.7
595.25067	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	594.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
60.37566	0.2
61.98835	100.0
66.98837	0.2
71.01385	0.6
88.98834	0.5
96.96009	0.4
107.17433	0.3
117.59959	0.2
125.02528	0.3
141.15187	0.2
147.23157	0.2
147.31589	0.2
219.78346	0.2
287.02048	0.3
316.02484	0.6
335.74557	0.2
410.31796	0.2
533.32660	0.2
594.29681	0.6
595.13422	0.5
595.31085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
61.98837	1.4
65.00320	1.6
68.91073	0.7
71.01366	2.2
71.60630	0.7
73.03590	0.7
83.01398	1.0
85.02943	0.9
89.02451	1.5
94.31365	0.7
95.01389	1.2
96.95966	2.2
98.92310	0.6
98.95589	0.9
101.02451	1.2
107.01380	1.5
109.02916	1.0
110.00093	11.4
111.00920	5.5
114.88406	0.6
121.02982	1.6
123.00888	3.8
123.04475	0.8
125.02452	4.3
136.98781	1.7
137.02425	0.8
137.99562	3.6
139.00380	11.1
145.02914	3.4
148.01660	0.6
149.02377	0.9
150.03169	1.2
151.00333	2.7
151.03986	1.3
159.04510	1.1
161.02461	1.6
163.00301	1.0
163.03958	1.2
165.01895	0.7
165.97792	1.1
165.99084	11.4
166.99886	5.3
169.01440	4.1
171.04634	0.9
173.02467	0.9
174.03180	1.2
175.03929	1.6
177.01865	1.1
178.99869	7.7
186.03117	0.7
187.03891	0.9
189.01942	1.5
191.03389	1.3
193.98514	1.5
194.99316	2.8
198.03151	0.8
199.03957	1.6
201.01854	2.3
202.02518	0.7
203.03557	1.5
214.02664	1.9
215.03528	1.2
217.01170	0.7
226.02724	1.8
227.03430	2.7
229.01382	1.8
231.02916	2.4
242.02145	3.1
243.02942	7.2
244.03674	2.4
245.00935	1.3
247.02515	0.7
249.04007	1.9
255.03006	6.0
257.01025	1.0
259.02380	3.2
270.01669	6.9
270.99216	1.5
271.02454	40.4
272.02759	2.1
273.00372	1.1
274.01096	2.3
275.01944	2.1
285.75320	0.7
287.01978	27.8
288.02597	3.6
298.98526	1.5
299.01892	4.2
299.99286	1.1
300.02704	19.3
300.99817	7.8
301.03342	2.9
315.01392	1.5
316.02231	65.1
317.02734	7.1
327.13126	0.8
371.07617	2.4
389.08795	1.0
393.79684	0.8
397.05496	1.9
415.06641	3.0
441.91345	0.8
445.07077	0.7
535.27521	1.0
577.11542	3.1
595.12952	100.0
596.13147	10.1
615.95477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98833	100.0
69.53120	1.2
71.01406	0.4
75.00863	0.3
88.98806	0.2
89.02486	0.2
92.06826	0.2
93.03482	0.3
96.96023	0.4
117.03484	0.3
120.99727	0.2
121.03017	0.3
123.00916	0.2
125.02490	0.6
137.02466	0.3
139.04010	3.8
145.02968	1.2
151.00250	0.2
165.01961	0.2
169.01471	0.8
170.80962	0.2
179.07220	0.2
183.03009	4.1
183.04581	0.3
271.02570	0.4
287.02054	0.5
315.01428	0.2
316.02341	0.9
438.02579	0.2
531.22272	1.3
594.13879	0.3
595.13062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
57.11769	0.6
59.01382	4.9
61.98833	100.0
65.00330	3.0
69.46963	5.3
71.01385	3.9
72.99319	1.0
74.34058	0.6
74.56712	0.6
75.00895	1.0
75.77307	0.7
83.01402	2.7
85.02952	0.7
87.00877	0.8
88.98827	1.5
89.02469	1.7
89.47128	0.7
93.03484	1.9
96.08624	0.5
96.96032	3.7
97.02998	0.7
101.02467	1.5
107.01408	4.8
109.02950	0.7
117.03481	1.5
119.05023	10.1
119.05801	0.9
121.02985	1.2
123.00855	0.9
123.04580	0.9
125.02451	8.4
133.02951	10.6
135.04530	16.6
137.02521	1.3
139.04054	1.1
145.03003	2.5
147.04652	0.7
149.02562	1.1
149.06117	2.6
151.00383	14.9
153.05699	0.9
161.02444	37.4
162.02797	1.5
163.04091	1.5
165.01932	1.8
165.05602	1.5
168.00610	0.8
169.01424	2.5
175.00397	1.0
175.84000	0.7
177.01949	1.6
177.05556	6.2
178.02850	0.8
179.03500	21.4
179.10770	1.4
180.04025	0.7
203.03587	0.7
209.08237	1.2
221.04565	10.5
225.07758	0.7
227.07138	0.9
251.05621	10.5
252.05757	0.7
259.02551	1.1
271.02637	3.4
271.06128	20.4
275.90430	0.7
281.06668	19.7
282.06934	0.7
285.03937	0.9
286.04443	0.9
287.02042	2.8
287.05411	1.0
300.99860	1.3
315.01511	1.6
316.02188	7.1
323.07730	20.2
341.08749	21.8
342.09384	1.2
431.09537	0.8
449.11066	2.8
501.10907	0.9
531.22406	8.9
532.22754	0.9
594.14307	0.9
595.14142	15.9
595.23773	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	593.264
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
52.40483	0.6
59.01374	1.4
59.45783	0.5
61.98834	9.6
63.96245	1.0
66.59418	0.6
68.99531	0.6
71.01393	4.8
71.61237	1.0
73.02940	1.3
75.00854	0.6
78.95915	1.1
78.98607	4.5
79.95744	26.6
80.96523	45.1
85.02950	1.6
87.00880	2.2
94.98094	11.2
96.57539	0.5
96.96005	1.9
97.02946	1.4
101.02429	2.7
106.98089	1.8
122.97586	5.5
125.02446	2.4
127.03983	0.9
134.97588	3.8
136.99109	1.3
148.99142	4.0
152.98636	3.8
164.98631	8.6
182.99660	1.8
193.94586	0.6
200.75995	0.5
206.99695	3.2
225.00722	14.3
241.00220	0.8
243.01778	1.8
273.38107	0.7
299.04407	4.3
328.40057	0.6
371.06522	1.4
399.09656	1.0
413.11081	1.3
413.97696	0.6
455.15897	1.6
462.99658	0.6
495.19040	1.5
523.18030	0.8
524.19257	1.4
593.26398	100.0
594.26733	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58090	0.6
59.01383	1.3
61.98836	0.7
71.09819	1.0
78.95911	64.7
94.81744	0.6
96.78088	0.7
96.96973	11.8
125.02422	1.0
150.98042	1.5
152.99605	100.0
153.05615	1.6
153.99950	0.8
171.00647	3.1
197.94130	0.6
223.00146	11.3
241.01204	25.8
256.63882	0.7
259.02191	1.9
277.21747	50.0
278.22110	4.0
280.84003	1.0
315.01666	0.7
315.04868	17.5
316.05243	1.2
322.81308	0.6
333.05807	1.5
490.63885	0.7
593.27344	92.2
594.27716	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	593.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65108	0.6
54.22674	0.6
55.80091	0.6
57.03455	0.7
58.00611	1.1
59.01384	19.3
60.99310	1.0
65.00300	0.8
66.96764	0.6
67.01891	0.8
69.37042	4.7
69.37450	1.3
71.01391	11.2
72.99305	1.2
73.02943	0.8
79.01870	0.8
81.03466	0.9
83.01402	1.3
85.02944	2.3
85.57724	0.6
87.00826	0.6
88.36845	0.6
88.98812	6.4
89.02448	9.4
95.01407	2.2
96.96059	0.7
97.02971	1.9
98.19764	1.0
101.02463	7.2
103.85259	0.6
107.01402	7.1
109.02954	2.7
111.00875	2.3
113.02496	3.4
113.03150	0.6
113.49964	0.7
119.03543	3.1
123.00896	10.8
124.01669	2.1
125.02456	28.2
127.00417	1.4
128.56430	0.6
133.06599	2.4
136.98798	2.1
139.00372	5.7
139.07660	2.6
140.01190	4.3
141.01938	0.9
149.05994	0.7
151.00352	6.5
151.04044	0.8
167.03545	1.3
168.00647	14.9
169.01436	37.3
170.01712	1.0
205.12337	2.2
211.02496	39.3
212.02884	1.4
217.12473	1.1
233.77599	0.7
239.16180	0.7
241.03516	1.1
271.04611	45.8
272.04950	2.4
300.02829	1.2
313.05701	1.7
330.13293	1.7
331.06805	4.9
331.13956	0.7
385.11353	2.1
397.18451	3.8
441.08350	0.9
441.17603	11.9
442.18341	0.8
461.05151	0.7
482.14301	11.9
483.15033	7.4
532.46393	0.7
549.19843	11.7
550.20508	0.8
575.17780	3.1
593.18811	100.0
594.19177	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	593.1512
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.18848	0.3
59.01361	0.5
61.98827	0.3
65.00337	0.7
66.55068	0.3
69.30952	0.5
69.31351	2.3
71.01369	0.3
77.28957	0.3
86.66692	0.3
88.98816	0.4
93.14745	0.3
104.61546	0.3
107.01379	1.0
108.02177	1.3
114.30578	0.3
120.31580	0.3
121.02858	0.3
125.02449	0.7
135.00874	0.8
148.01680	1.4
151.00385	4.1
163.00392	0.7
164.01146	0.9
169.01433	0.4
178.99870	3.2
179.48225	0.3
187.03987	0.5
192.00620	0.5
199.03984	1.0
201.01953	0.4
211.04015	0.5
215.03555	0.7
216.04285	0.5
226.02798	1.7
227.03580	2.7
243.02974	10.9
244.03419	1.0
254.02313	1.7
255.02985	26.7
256.03302	1.7
271.02478	62.8
272.02933	5.6
299.01920	2.2
300.02753	100.0
301.03223	9.0
303.04883	0.4
329.91183	0.3
330.44394	0.3
429.08456	0.3
593.15106	77.7
594.15472	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57864	0.5
59.01375	2.7
61.98849	2.0
65.00366	0.8
66.05447	0.6
69.87801	2.8
71.01415	1.6
73.02992	0.8
76.80964	0.6
83.01382	0.5
85.03006	0.6
88.98811	1.2
89.02470	1.8
95.01443	0.7
96.96079	0.9
98.20591	0.6
101.02456	1.5
107.01399	3.1
108.02206	1.2
109.02954	2.9
113.02467	0.9
113.47265	0.7
115.56423	0.6
115.88919	0.5
123.00960	0.9
125.02422	5.6
135.04561	0.8
137.02487	1.5
148.01721	1.7
149.02571	0.6
151.00383	6.2
163.00484	0.6
165.01952	1.1
168.00688	1.2
169.01443	6.4
177.01978	0.8
178.99889	3.6
180.95079	0.5
181.01488	1.4
183.04637	0.6
199.04086	0.8
207.13968	0.6
211.02481	2.1
215.03630	0.8
216.04306	0.7
221.51268	0.6
226.02762	1.0
227.03522	2.5
243.02979	10.7
244.03629	0.7
254.02278	2.5
255.02998	24.6
255.05721	1.3
256.03296	1.0
269.14023	0.9
271.02460	54.3
271.37759	0.6
272.02921	5.4
283.02405	0.8
299.01944	2.1
300.02759	100.0
301.03293	9.8
311.02042	1.2
324.45450	0.6
327.01443	5.5
328.02115	1.3
339.01663	1.1
356.01697	1.2
357.02820	0.8
381.12244	0.6
431.19058	1.0
441.17471	1.4
468.88663	0.7
489.06857	4.0
533.28772	0.7
549.19464	0.8
593.15057	81.1
594.15503	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	593.1315
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
55.01881	0.8
57.03426	1.0
59.01383	17.5
60.01702	0.6
61.98835	29.2
63.02387	0.9
65.00314	1.7
69.03464	0.7
69.40453	1.5
69.40857	4.3
71.01388	16.4
71.26873	0.7
72.99301	1.6
73.02934	2.8
78.95908	6.5
81.03443	0.7
83.01398	3.4
85.02961	7.0
87.00883	4.3
88.98779	1.2
89.02457	6.9
95.01345	0.7
96.96012	5.0
97.02959	1.3
98.04781	0.6
99.00860	1.4
101.02448	10.6
105.01937	2.3
107.01407	3.1
108.02151	1.7
109.02943	2.1
113.02468	5.5
117.05550	1.1
118.95741	0.6
119.03470	2.3
121.02954	1.8
122.00693	0.6
123.00846	1.3
123.08170	1.0
124.01659	0.8
125.02441	3.5
131.03493	2.8
135.00919	1.1
135.11787	2.7
137.02481	0.6
137.09706	0.9
139.00314	0.6
139.04042	1.2
145.02950	0.6
147.04454	0.8
148.01682	2.3
149.02438	0.6
149.04559	2.1
151.00369	10.4
151.07643	1.1
152.08412	1.1
152.99617	3.5
153.05515	0.6
153.09200	2.6
154.09561	1.2
161.02475	0.7
161.04587	3.4
161.09721	2.6
162.10046	0.7
163.00301	2.3
163.04012	1.2
163.11258	2.3
164.01108	0.8
165.01949	1.5
167.03448	1.1
169.01410	2.5
172.28629	0.6
174.03247	0.9
175.03970	0.9
176.41621	0.6
178.99872	3.9
179.05609	0.8
179.10782	15.8
180.11128	6.3
181.05118	0.9
181.11195	0.7
183.02994	0.7
185.11746	0.9
187.03992	1.0
188.04759	0.8
189.05656	0.8
191.05620	0.7
193.12212	0.8
197.11867	0.8
198.03290	0.8
199.03961	2.0
205.12341	1.4
206.12730	1.2
207.10300	1.1
209.11838	4.2
211.03922	0.8
211.13423	1.9
215.03477	1.3
216.04214	1.0
221.11809	1.4
222.12228	0.8
223.09682	0.9
225.14900	0.6
226.02695	4.8
227.03525	4.4
241.14528	1.4
243.02986	19.4
244.03433	1.2
254.02199	5.9
255.02983	25.0
256.03412	1.1
265.10736	0.8
271.02481	86.9
272.02975	7.0
273.03931	0.9
299.02048	1.4
300.02765	100.0
301.03497	29.3
302.03824	1.2
332.76785	0.6
343.04462	0.7
363.12186	1.9
370.27451	0.8
371.27951	2.0
387.16241	1.5
387.20245	2.8
401.25385	8.0
533.30408	5.6
533.32074	5.5
549.27197	1.8
558.18707	0.7
575.26251	1.8
592.28693	4.3
593.13080	84.7
593.27203	10.8
594.13348	11.4
594.27496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1312
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03456	12.5
59.01384	2.0
69.91894	0.9
70.94715	2.2
71.01414	1.3
81.03458	2.1
83.01398	4.3
86.64163	1.0
93.03486	3.3
95.01383	1.0
95.05022	1.9
95.20059	0.9
96.96032	2.7
97.02953	3.3
101.02475	1.3
105.03416	1.2
107.05023	1.3
109.02958	15.8
116.92887	1.6
117.03455	0.9
121.02985	8.6
122.03722	0.9
123.00927	1.8
123.04523	9.5
125.02456	92.9
126.02810	2.3
133.02960	2.7
135.04543	1.7
135.39473	1.3
137.02446	20.5
138.73515	0.9
139.04008	3.6
145.02980	1.2
147.04514	1.2
149.02449	8.0
150.03175	1.1
151.04031	12.0
154.10533	1.0
159.04538	2.6
160.05322	1.3
161.02434	3.0
161.06078	3.9
163.00366	1.6
163.04024	3.4
164.01187	2.1
165.01917	3.6
167.03407	1.7
168.00513	1.0
169.01466	4.3
173.02521	1.0
174.03366	1.0
175.04016	9.4
175.07581	1.4
176.01268	0.9
177.01939	100.0
178.02373	3.3
179.03499	3.8
185.06099	0.9
187.04066	7.1
188.04822	2.4
189.02014	1.6
189.05392	1.0
191.03464	2.3
193.05119	1.1
201.01990	1.3
201.52054	1.1
202.06297	1.3
203.03419	1.1
203.07127	5.4
205.01410	1.3
205.05046	6.5
211.02332	1.4
211.04103	1.4
213.05580	1.6
215.03484	1.3
215.86064	0.9
217.01424	1.1
217.04988	1.4
221.08235	1.9
227.07112	1.4
229.05040	2.8
230.01904	0.9
231.02971	2.3
243.03021	1.9
245.08205	9.9
247.06157	1.0
249.04007	1.7
255.03008	8.1
256.03778	3.1
257.04755	1.4
261.03976	2.3
271.04544	2.5
273.01404	1.2
273.04092	7.8
275.02051	2.3
281.04602	1.5
283.02451	1.1
285.04013	2.4
289.07172	56.5
290.07532	2.4
300.99930	4.8
303.05121	8.5
315.05176	3.3
327.04926	1.1
339.08771	3.4
381.09790	2.2
407.07718	49.4
408.07999	4.7
423.07632	1.0
425.08798	18.5
426.09030	1.8
441.08203	3.1
448.52087	1.0
449.09323	1.2
467.09857	8.0
496.03308	1.3
534.17242	1.2
549.15845	1.6
555.20776	1.0
587.34662	1.3
593.12476	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	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.4
69.03461	1.0
70.30769	1.2
71.31638	1.1
81.03463	1.8
83.01407	3.0
93.03477	2.9
95.01382	1.7
95.05042	1.5
97.02959	2.5
102.09295	0.9
108.22099	0.8
109.02964	13.8
111.04524	1.9
121.02973	3.8
123.00925	2.3
123.04532	3.3
124.01663	1.6
125.02458	100.0
126.02785	3.0
131.05040	1.3
133.02969	3.2
135.04521	1.6
137.02458	26.6
138.03200	1.3
139.04037	9.5
149.02448	4.7
149.06085	1.3
151.03954	6.7
159.04529	1.9
160.05223	1.2
161.02473	15.5
161.06093	2.1
162.03300	1.9
163.00348	1.0
163.04005	2.9
164.01184	5.4
165.01929	12.6
166.31827	1.0
167.03513	9.8
173.06053	1.5
175.03979	7.9
175.07646	1.4
177.01944	27.5
177.05466	1.5
179.03532	8.7
184.88933	0.9
187.04070	3.1
188.04857	1.4
189.01952	1.3
189.05544	1.2
191.03622	1.2
191.07224	2.1
193.05037	0.9
199.04137	1.3
201.05608	2.1
203.03644	2.2
203.07143	1.6
204.04242	2.7
205.01378	2.8
205.05072	2.5
213.05463	1.1
215.03523	2.5
217.05043	2.4
219.06624	8.1
221.04573	3.9
227.03658	2.1
229.05003	2.8
231.03053	1.1
243.03076	3.8
243.06566	1.7
245.04536	4.4
245.08351	2.8
247.02283	1.1
253.05121	1.5
255.02977	13.1
256.03714	4.9
257.04517	2.6
261.07779	2.3
263.05786	1.3
269.04578	2.3
273.03934	2.5
277.30856	1.1
282.01651	1.2
283.02515	7.8
285.04111	2.7
287.05765	5.6
289.07162	17.6
297.04074	3.8
299.05652	3.1
303.05145	2.5
305.06677	62.6
306.07010	2.8
345.06113	1.6
355.08313	2.2
397.09128	1.4
407.07748	14.7
423.07217	53.8
424.07608	3.4
425.08798	9.4
426.09711	1.3
426.89084	1.1
441.08340	5.7
449.08719	1.3
464.36813	1.0
467.09891	12.5
468.10233	1.3
575.12390	3.8
593.13062	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	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
61.98833	100.0
72.46922	0.3
78.95918	1.3
80.96541	0.6
145.34343	0.3
152.99637	0.6
158.60715	0.4
209.11873	1.1
211.13530	0.9
212.13762	0.7
245.09726	0.4
267.71616	0.3
292.23303	0.3
592.25732	1.1
593.26691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.5
57.67922	1.3
81.03490	2.6
83.01405	4.4
89.41873	1.4
93.03477	3.2
95.01362	1.7
96.96036	7.6
97.02972	2.6
98.20724	3.4
107.05033	2.2
108.02171	1.6
109.02974	14.7
111.04546	1.4
116.92885	3.1
117.45564	1.4
121.02966	5.1
123.00905	3.5
123.04536	7.2
124.01707	2.0
125.02453	100.0
126.02724	2.1
133.02966	3.1
135.04593	1.4
137.02441	24.7
138.03250	2.3
139.04025	8.9
149.02464	6.5
151.04016	9.0
159.04533	2.3
159.91399	1.5
161.02451	16.4
161.06088	2.3
162.03186	1.6
163.04027	3.9
164.01170	4.2
165.01965	12.4
167.03516	10.9
169.01604	1.7
175.04085	8.0
175.07538	1.7
177.01956	31.6
177.05522	3.2
178.02573	2.0
179.03476	9.9
181.39417	1.7
187.04027	3.5
191.03529	2.3
199.04024	2.5
203.03471	4.9
203.07104	2.3
204.04187	1.8
205.01378	3.0
205.05183	2.0
215.03401	2.2
216.00746	1.6
217.04997	2.2
219.06601	5.0
221.04573	2.1
227.03403	1.9
229.05115	2.8
229.86438	2.0
231.03145	1.8
242.01926	1.6
243.02997	6.1
243.06624	1.9
245.04567	4.1
245.08160	4.1
255.03044	15.3
256.03809	4.6
257.04395	1.9
269.04605	3.7
273.04071	4.3
281.04547	2.2
281.76968	1.7
283.02371	8.0
285.03989	2.6
287.05566	4.0
288.06174	1.8
289.07242	18.2
290.07401	2.8
297.04086	4.1
299.05539	1.9
300.99918	2.9
303.05185	2.4
305.06677	52.2
306.07071	3.2
355.08124	1.7
367.44830	1.7
407.07758	20.0
423.07169	43.8
424.07541	2.9
425.08716	12.0
441.08206	6.4
457.13068	1.7
467.09845	13.4
575.13367	3.9
593.12958	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55762	1.0
57.03453	13.4
59.22520	1.1
66.87523	1.1
70.16081	4.9
75.28241	1.1
81.03461	2.7
83.01378	4.6
84.15443	1.3
92.08584	1.2
93.03478	3.0
95.05038	1.8
97.02950	4.5
105.03493	1.6
108.02178	1.2
109.02966	17.3
116.40089	1.2
116.84356	1.3
121.02979	7.5
123.04530	11.9
125.02457	98.1
126.02789	2.6
133.02989	2.3
135.50153	1.2
137.02455	21.8
138.03212	1.5
139.04015	4.0
145.02995	1.4
149.02464	12.2
151.04012	11.9
156.85974	1.3
159.04529	4.1
161.02451	4.7
161.06104	3.9
162.03198	1.4
163.00375	1.5
163.04018	3.7
164.01193	3.9
165.01939	6.3
165.05545	1.7
167.03534	2.7
175.04005	9.9
175.07588	1.6
177.01947	100.0
178.02280	4.4
179.03503	5.3
184.49663	1.2
185.06143	1.6
187.03989	6.3
188.04788	2.1
199.04169	1.1
201.05592	1.6
202.06313	1.3
203.07159	9.3
205.05032	6.7
211.04048	1.5
212.04785	1.2
213.05481	1.7
215.03416	1.7
217.05122	2.4
220.80632	1.4
221.08148	1.8
227.03476	2.2
227.07132	1.4
229.05086	3.8
243.02995	3.4
245.08200	9.3
246.08435	1.4
247.06001	1.6
255.03012	8.8
256.03708	5.1
257.04623	2.5
261.04135	2.9
269.04532	1.5
271.06055	1.5
273.04092	4.2
281.04715	2.9
283.02515	3.1
285.04102	3.6
289.07193	73.9
290.07431	3.9
297.03992	2.2
303.05029	7.4
305.06549	3.3
315.05048	4.3
339.08832	2.6
345.43741	1.3
381.09766	2.9
407.07736	64.7
408.08176	6.0
423.07471	1.4
425.08829	31.5
426.08893	2.6
441.08084	2.5
467.09772	7.4
593.12878	9.6
594.13428	2.0
598.85266	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	592.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71686	1.0
57.03453	1.8
59.01384	10.0
61.98834	58.6
71.01392	7.3
72.99307	1.4
73.02952	2.5
78.95913	7.7
79.01896	1.0
83.01381	1.9
85.02955	3.7
86.03297	0.9
87.04507	2.4
89.02446	3.2
95.01408	2.2
96.96025	3.2
101.02457	5.0
103.04012	1.4
107.01376	2.6
109.06591	1.4
111.00898	1.3
113.02393	1.9
119.03454	1.3
123.00910	11.7
125.02460	14.6
136.98814	0.8
139.00381	2.9
140.01195	2.0
141.01991	1.8
151.00377	9.3
152.99602	4.7
153.03067	1.9
160.74295	0.9
161.04655	2.0
161.09729	2.1
163.11357	1.0
168.00606	3.6
169.01414	16.5
176.03461	1.1
179.10785	7.2
180.11125	3.4
197.11787	1.8
205.12325	4.5
206.12660	3.1
208.04294	1.0
209.11821	3.0
211.13385	2.9
223.13542	1.3
311.05579	2.1
312.05887	2.4
313.05710	2.0
320.00629	1.0
326.07828	1.1
327.08298	1.9
363.12228	1.6
395.24408	2.5
400.24252	1.1
459.18280	1.6
523.16010	0.9
529.22913	100.0
530.23016	8.8
531.32007	1.8
532.32281	7.4
533.33447	2.3
561.24304	1.2
575.27142	1.9
592.17169	2.6
592.27576	5.3
592.37360	2.0
593.28497	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	592.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71686	1.0
57.03453	1.8
59.01384	10.0
61.98834	58.6
71.01392	7.3
72.99307	1.4
73.02952	2.5
78.95913	7.7
79.01896	1.0
83.01381	1.9
85.02955	3.7
86.03297	0.9
87.04507	2.4
89.02446	3.2
95.01408	2.2
96.96025	3.2
101.02457	5.0
103.04012	1.4
107.01376	2.6
109.06591	1.4
111.00898	1.3
113.02393	1.9
119.03454	1.3
123.00910	11.7
125.02460	14.6
136.98814	0.8
139.00381	2.9
140.01195	2.0
141.01991	1.8
151.00377	9.3
152.99602	4.7
153.03067	1.9
160.74295	0.9
161.04655	2.0
161.09729	2.1
163.11357	1.0
168.00606	3.6
169.01414	16.5
176.03461	1.1
179.10785	7.2
180.11125	3.4
197.11787	1.8
205.12325	4.5
206.12660	3.1
208.04294	1.0
209.11821	3.0
211.13385	2.9
223.13542	1.3
311.05579	2.1
312.05887	2.4
313.05710	2.0
320.00629	1.0
326.07828	1.1
327.08298	1.9
363.12228	1.6
395.24408	2.5
400.24252	1.1
459.18280	1.6
523.16010	0.9
529.22913	100.0
530.23016	8.8
531.32007	1.8
532.32281	7.4
533.33447	2.3
561.24304	1.2
575.27142	1.9
592.17169	2.6
592.27576	5.3
592.37360	2.0
593.28497	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	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
56.67167	1.1
57.03442	2.6
58.00584	2.0
59.01384	46.5
61.98835	83.7
63.25674	1.2
69.35686	8.6
71.01385	26.0
72.99307	2.0
73.02958	8.2
75.00847	1.5
75.35486	1.1
78.95899	5.2
82.95375	2.9
83.01391	3.9
83.36013	1.2
85.02971	10.5
87.00886	4.1
89.02457	16.6
95.05006	1.2
96.96014	4.4
97.02958	1.1
99.00873	3.0
99.04548	1.2
101.02454	18.9
103.03996	2.8
103.47023	1.2
111.00887	1.5
113.02460	12.9
119.03495	5.9
123.00846	1.5
125.02457	3.4
130.73524	1.1
131.03484	1.6
143.03549	2.2
149.04594	3.0
152.99570	3.1
161.04568	5.7
161.09679	2.2
163.11339	2.1
167.40253	1.3
179.05666	3.0
179.10783	9.4
205.12357	5.1
209.11789	2.8
211.13448	1.3
314.51590	1.5
325.12894	1.3
329.23438	1.3
347.13043	1.2
369.26453	24.4
531.31866	100.0
532.32318	9.9
591.27100	7.0
591.36774	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	591.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32367	1.4
55.01879	2.4
57.03442	4.0
58.00589	2.1
59.01381	30.8
61.98837	12.8
71.01384	37.0
73.02949	6.9
78.95924	2.6
79.46001	1.5
83.01379	3.2
83.05006	1.8
83.06480	1.4
85.02522	1.7
85.02958	11.6
89.02455	16.9
95.01369	3.6
97.02965	2.8
99.00879	2.9
101.02448	18.6
113.02480	13.5
113.06087	1.7
119.03540	4.0
119.05047	2.0
123.08212	1.8
123.77276	1.4
125.06086	1.6
129.68123	1.5
133.10240	8.4
135.11824	28.2
136.05298	1.7
138.05931	1.8
138.06886	11.7
139.07626	3.2
149.04591	1.8
151.07687	10.4
152.08430	11.1
152.99597	3.2
153.09229	49.6
159.08167	5.8
161.04576	9.0
161.09727	33.1
162.10036	1.9
163.11264	3.3
169.75810	1.6
178.46312	1.6
179.10786	100.0
180.11125	3.6
203.10780	4.2
205.08844	2.0
205.12338	27.9
207.65123	1.6
209.11868	3.6
223.13423	12.3
241.91376	1.6
285.11237	1.5
324.61029	1.7
363.12167	1.8
367.17606	4.5
385.14328	1.8
385.18768	23.6
529.26520	1.9
531.27655	3.8
547.29047	5.6
591.28168	73.5
592.28613	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	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13094	1.5
55.01890	2.2
55.75994	1.3
57.03452	2.9
59.01385	28.1
61.98828	19.3
71.01387	33.1
72.99314	1.8
73.02965	8.5
73.95558	1.5
75.00882	2.1
78.95915	3.3
83.01398	4.0
85.02959	15.3
86.29446	1.6
87.00869	4.6
89.02457	14.1
95.01371	2.7
97.02971	2.5
98.20621	4.5
99.00896	2.2
101.02454	18.1
113.02428	10.2
113.06104	1.8
119.03487	3.6
120.05836	1.8
125.02451	2.0
125.06091	1.6
126.99158	1.6
133.10252	6.6
135.11824	19.3
136.05283	3.0
136.40312	1.4
138.06865	6.6
139.07613	3.6
147.08130	1.9
151.07660	9.6
152.08469	14.2
153.09230	42.8
154.09584	1.7
159.02969	1.6
159.08167	7.0
161.04573	14.4
161.09731	30.5
163.11334	2.9
179.10783	100.0
180.11131	4.7
187.11331	3.2
203.10780	3.6
205.08879	2.1
205.12332	31.2
206.12708	1.6
209.11761	1.7
221.11855	4.3
223.13368	13.1
261.08383	1.6
301.01465	1.3
367.17725	2.6
369.26370	8.3
385.18716	22.7
386.19366	3.0
531.32025	14.9
547.29333	5.2
557.27197	1.9
591.28198	65.3
592.29102	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	591.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
57.03435	2.0
59.01386	23.8
61.98835	18.3
69.03468	1.7
71.01390	25.5
71.01770	2.4
72.99309	2.1
73.02963	8.1
75.00883	1.3
75.32650	1.1
78.95911	9.6
81.83842	1.1
82.24190	1.0
83.01392	2.1
83.05033	1.9
85.02959	10.3
87.00898	2.9
87.04542	1.4
89.02456	10.5
95.01380	2.1
96.96025	4.6
96.97005	1.4
97.02950	3.1
99.00893	2.6
101.02451	12.3
104.65747	1.1
113.02466	8.8
119.03504	4.1
123.08167	2.4
125.02415	1.9
125.06073	1.7
131.03485	1.0
133.10271	1.6
135.08170	1.8
135.11818	21.1
136.05322	1.6
138.06900	5.7
139.04019	1.1
139.07626	1.3
143.03517	1.6
147.04544	4.7
149.04411	1.3
151.07675	2.2
152.08414	6.8
152.99622	7.2
153.09224	23.9
159.03004	1.6
159.08264	2.6
159.11842	2.6
161.04576	5.2
161.09723	13.9
163.11304	3.0
169.01430	3.0
171.10287	3.3
175.11273	1.6
177.12877	4.1
179.10791	100.0
180.11169	3.2
193.12419	3.5
201.11406	2.1
203.10780	4.3
205.08708	2.3
205.12389	13.2
209.11836	9.7
219.13760	1.3
221.11838	8.5
223.09834	9.6
223.13411	4.1
227.13014	1.6
246.85609	1.0
251.12810	1.6
265.10892	4.7
281.14020	1.3
295.12033	1.4
325.13013	11.5
363.12360	4.2
367.17984	1.3
380.24988	1.1
381.13312	1.6
385.14581	2.4
385.18875	5.0
399.24048	1.6
465.36520	1.3
473.33694	1.2
531.28027	9.0
547.28918	1.2
591.28204	59.7
592.28644	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	591.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61971	2.6
55.01874	3.5
57.03444	8.2
58.00601	3.0
59.01094	5.9
59.01385	83.9
61.98834	59.5
71.01389	67.9
71.61078	3.3
72.99313	7.3
73.02958	16.1
75.00884	3.8
78.95899	12.6
79.95723	4.4
80.96502	6.7
83.01376	4.1
85.02937	27.4
87.00874	5.2
89.02444	37.3
95.01393	6.4
96.96013	10.5
97.02959	5.8
99.00858	7.2
101.02458	40.3
109.06595	5.2
113.02465	26.8
119.03535	15.2
123.00872	3.5
123.04512	7.6
123.08156	4.3
125.02466	15.0
131.03488	6.5
133.10233	5.4
135.11800	17.0
138.06845	7.7
140.76869	2.6
143.03474	3.6
149.04526	11.6
151.00291	4.3
151.07669	9.3
152.08430	8.4
152.99551	7.7
153.05579	3.2
153.09212	38.2
159.08174	6.2
161.04604	15.0
161.05757	2.6
161.09731	34.0
163.11273	5.9
169.01424	7.7
175.03954	3.1
179.05592	8.4
179.10796	100.0
180.11131	3.3
187.11345	4.0
191.05721	5.4
193.12343	5.8
203.10823	7.0
205.08847	2.8
205.12354	45.1
209.11905	6.6
211.13371	6.2
213.14922	7.1
221.11821	3.8
223.13411	19.5
225.11372	2.7
237.90036	2.9
272.49683	3.1
283.06003	5.7
311.05530	12.6
311.22272	5.0
326.07913	7.7
327.08487	4.8
369.26471	19.1
385.18808	15.9
399.23749	3.8
527.76270	3.0
529.22852	19.9
531.32233	67.6
591.16827	6.6
591.27582	61.4
591.37158	7.9
592.27893	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	591.262
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.30782	0.6
56.12865	0.5
68.63930	0.6
69.65943	1.6
69.66364	2.2
70.16292	0.4
85.71690	0.5
89.71675	0.5
96.43056	0.5
96.92266	0.5
98.20626	0.9
106.06681	0.8
112.28889	0.5
157.41029	0.6
171.17456	0.5
199.22377	0.5
202.61972	0.5
425.83597	0.6
443.22293	1.9
445.20331	2.0
455.22247	1.1
456.23343	0.8
458.20908	0.7
459.21698	1.6
471.25653	2.8
472.23169	1.6
473.23798	1.0
482.21289	1.6
485.19861	2.9
487.25851	2.5
488.21796	0.8
497.23749	3.8
499.21213	4.5
500.22211	12.0
501.22678	1.6
511.14664	0.7
513.23157	0.9
514.23810	0.8
515.24554	100.0
516.24908	12.6
518.23309	1.0
559.23358	3.4
560.23792	0.7
591.36780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
59.01136	2.0
59.01386	18.5
60.99308	14.5
61.98823	2.8
71.01373	6.1
71.60996	2.1
73.02952	2.6
83.01402	1.6
85.02927	2.1
87.00884	5.5
88.00410	2.7
88.98810	100.0
89.02438	20.3
95.01357	1.9
96.96014	3.9
101.02422	4.2
107.05035	1.7
113.02448	3.0
113.06065	2.5
119.03462	1.9
120.88819	1.3
125.02448	5.0
135.04546	2.0
143.03458	1.4
147.04684	1.3
161.02402	1.8
161.04579	1.9
161.09676	3.8
161.13423	1.5
169.01402	4.5
179.05659	2.2
187.11308	8.1
189.09213	2.9
205.12265	2.2
216.46974	1.4
223.13426	10.6
249.11331	3.2
267.12332	7.9
301.00034	1.7
339.14536	2.0
341.11203	1.7
369.15576	9.6
429.17670	22.9
529.17175	2.0
550.40643	1.4
591.23108	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	591.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49033	0.7
57.03455	0.9
59.01383	9.6
60.62151	0.6
61.98838	11.2
70.11938	0.7
71.01392	8.0
72.55303	0.7
72.99335	1.2
73.02934	1.3
78.95910	100.0
80.02696	2.2
81.03457	1.7
83.05034	7.9
84.02201	1.1
85.02943	2.4
87.00874	1.4
88.98840	0.8
89.02450	6.9
95.05058	1.5
95.89410	0.8
96.96036	1.3
96.96974	8.6
97.06573	0.7
98.19894	1.3
101.02473	4.7
109.06671	1.1
113.02432	2.0
115.84044	0.6
119.03475	1.5
121.06626	0.7
125.06060	1.2
131.03456	1.2
133.10274	1.0
134.98561	1.4
135.04556	1.5
135.08121	0.9
135.11795	3.1
143.03528	0.7
147.11792	0.7
149.09708	1.1
152.99600	56.2
159.08038	0.7
161.02460	0.8
161.04539	1.1
161.09732	5.3
163.11301	5.9
165.12866	3.7
171.00653	0.7
177.12689	0.7
179.05598	0.7
179.10800	13.0
181.12343	1.1
191.10764	2.1
193.12393	1.0
203.10834	3.2
205.12331	0.8
209.11844	88.3
210.12154	4.7
221.11823	2.3
223.09708	2.3
227.12886	12.7
228.13194	0.6
257.87317	0.7
265.11136	0.7
280.85913	0.7
283.06061	0.7
295.11777	0.9
320.89740	0.7
325.12878	2.0
341.15933	1.7
363.12155	43.8
364.12381	2.6
367.17328	1.3
381.13214	12.4
385.14932	2.3
531.27448	3.2
591.25763	57.9
592.26147	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	591.1726
Annotation	Cannabin
Peak:m/z	Relative Intensity
59.01385	8.5
60.99295	1.0
61.98835	21.0
69.40782	7.6
71.01392	6.2
72.99318	1.0
73.02959	1.7
75.00845	1.2
79.01912	2.7
83.01389	1.8
83.35896	0.9
85.02949	2.2
87.00884	2.6
88.98814	8.5
89.02459	5.3
91.05510	1.0
91.68919	0.8
93.03503	1.3
95.01412	1.3
96.96020	12.3
99.00919	1.6
101.02440	4.9
107.01427	2.0
109.02963	1.0
111.00929	1.2
111.04543	1.7
113.02462	2.1
113.75938	0.9
117.05580	2.1
119.05042	1.4
120.99660	1.4
123.00886	5.3
123.04548	1.0
124.01176	1.1
125.02457	8.8
131.03459	0.9
132.02177	2.2
133.02995	1.3
134.03680	0.8
135.04535	17.1
135.11880	1.0
136.03706	0.9
139.00383	2.5
140.01123	1.1
141.01967	1.0
147.04646	0.9
149.02460	1.4
149.04575	1.4
151.00374	3.6
151.04079	0.9
153.01900	1.4
161.02470	2.4
161.04608	1.3
163.04036	6.0
164.04688	1.3
167.41803	0.9
168.00600	2.0
169.01427	6.8
170.01729	1.8
170.46944	0.8
175.00462	1.4
175.04059	1.0
179.03499	14.2
179.10846	2.0
181.05235	0.9
190.02736	1.9
191.03494	2.2
201.11333	1.3
205.05032	2.3
205.12338	0.9
209.11819	2.0
223.06194	1.8
237.15186	1.0
239.07126	1.4
241.05064	3.1
245.71288	1.1
247.67146	1.1
255.06654	40.1
256.07001	2.1
267.06516	1.1
269.04562	19.9
270.04987	1.5
283.06137	28.9
284.06699	4.2
300.99811	0.9
311.05728	2.0
312.06412	100.0
313.07071	21.4
314.07455	1.2
315.12479	1.2
367.10437	1.3
399.23978	1.2
437.31644	1.0
466.12775	1.1
481.14853	6.2
493.15158	1.3
501.19354	1.9
511.15942	6.0
527.21686	1.8
528.21649	33.4
529.22095	2.7
531.28613	4.4
547.21844	2.8
591.17377	93.0
592.17798	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	591.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64555	0.8
73.96143	0.8
98.19859	2.1
108.02177	64.7
109.02997	10.7
123.04569	0.9
125.02432	3.1
129.25768	0.9
137.02464	1.3
151.03957	1.6
152.01158	59.8
153.01947	24.0
154.02330	1.1
155.62653	0.8
163.03966	1.0
165.01924	1.0
167.03423	1.0
169.09514	0.8
285.06155	100.0
286.06415	5.1
305.06570	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	591.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.8
61.98837	9.5
64.38350	0.5
69.03490	1.5
71.01376	2.8
71.05033	0.6
71.60926	0.6
71.61339	0.7
73.02954	0.7
75.00891	0.9
78.95911	0.7
79.95735	1.0
83.01398	0.8
85.02960	1.2
87.00892	0.7
87.51459	0.5
88.98837	1.8
89.02467	1.6
95.13868	0.5
96.96024	8.6
96.96947	0.7
97.02978	1.3
99.04530	0.6
101.02486	2.8
101.03017	0.5
107.01397	15.2
109.02952	0.7
111.00872	1.1
113.02470	1.0
117.05618	3.1
120.99653	0.8
123.00910	1.7
123.04508	1.0
124.01688	0.9
125.02457	73.9
126.02798	2.3
133.03008	0.7
135.04536	6.5
139.00369	0.8
145.02951	0.8
149.02419	0.6
151.00392	1.2
159.04637	0.7
161.02391	0.9
161.04530	1.0
163.04024	0.8
166.95308	0.5
167.03525	0.9
168.00626	1.6
169.01437	100.0
170.01796	1.7
171.10225	1.7
172.33145	0.6
175.03891	0.6
179.03503	7.3
183.02982	2.4
190.02692	0.9
194.42827	0.5
201.11322	1.1
209.04541	0.7
209.11684	0.7
218.02196	0.8
229.01134	0.6
246.01714	0.6
255.10185	0.6
263.02072	0.7
283.09760	1.5
299.09134	0.7
311.09171	3.8
312.10028	0.6
326.11661	3.0
327.12076	0.7
329.14084	0.6
330.00262	0.7
341.13977	1.6
428.07391	1.1
429.15457	0.7
455.87952	0.5
481.17261	0.6
511.16098	52.6
512.16486	5.3
531.28253	2.5
591.11591	31.9
592.12238	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	591.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82393	0.5
57.03446	1.5
59.01387	10.6
60.02321	0.5
61.98835	22.9
65.62095	0.5
69.03468	0.5
71.01389	8.9
71.05009	0.6
71.61514	0.6
71.61890	0.8
72.99314	1.3
73.02946	3.2
75.00866	0.8
78.95926	1.9
79.95741	6.1
83.01408	0.8
83.05033	0.6
85.02950	4.5
87.00871	1.6
87.04539	0.6
88.98817	1.7
89.02463	5.8
93.03448	0.6
95.01385	1.9
96.96020	100.0
97.02983	1.2
98.95622	0.8
99.00870	1.7
101.02449	6.0
106.13074	0.5
107.01353	2.8
109.02953	1.0
110.97572	0.6
111.00904	1.3
113.02467	2.8
115.04052	0.6
116.92862	0.8
117.05595	1.9
119.03522	0.7
119.05031	1.2
120.99660	1.1
121.02980	1.2
123.00921	7.4
124.01671	1.6
125.02462	10.4
128.90233	0.8
129.01976	0.8
131.03511	1.8
133.02962	0.7
135.04530	3.2
135.11829	0.6
136.98854	0.6
137.02460	1.8
139.00412	3.5
139.04027	2.5
140.01170	1.9
145.02962	1.2
147.04591	0.9
149.04584	3.1
151.00372	1.7
151.04039	0.8
152.99551	0.8
153.01935	1.7
153.09271	0.5
161.02440	1.8
161.04572	2.3
161.09654	0.7
163.04025	0.7
163.16707	0.6
166.99866	2.0
167.03534	0.8
168.00641	2.4
169.01447	7.3
171.10287	1.8
175.04002	0.7
179.03514	1.9
179.10730	1.8
183.02972	3.8
191.05701	0.8
195.02963	0.8
201.11301	1.0
205.12337	1.2
209.11862	0.9
227.12871	0.8
267.15955	1.1
269.08154	1.1
282.09232	0.7
287.05615	0.7
300.10028	0.9
314.11658	1.6
315.12302	2.4
327.12546	1.2
375.10968	0.9
399.23987	1.1
439.10730	16.4
440.11151	0.9
451.10184	1.8
466.12830	5.0
478.12683	4.6
481.15036	19.5
482.15503	2.2
493.15164	7.2
494.15344	1.0
511.16177	10.5
512.16309	1.5
531.28491	2.8
591.11749	61.8
591.22894	2.1
591.26056	2.0
592.12115	7.7
592.20789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16763	0.1
59.01379	0.3
61.98835	100.0
62.98548	0.1
69.33503	0.1
71.01394	0.2
71.60834	0.1
78.95927	0.8
80.96554	0.2
81.88356	0.1
85.82678	0.1
111.71454	0.1
116.34614	0.1
119.74004	0.1
143.71960	0.1
150.68892	0.1
152.99644	0.4
153.41109	0.1
184.26302	0.1
203.02608	0.1
207.10291	0.1
211.13437	0.3
225.11395	0.2
229.99510	0.1
239.17296	0.1
410.17218	0.1
455.20963	0.2
455.80597	0.1
458.99774	0.1
477.44672	0.1
591.24884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98161	0.2
57.71212	0.2
58.84019	0.2
61.98835	100.0
66.66938	0.2
70.01584	0.6
71.01418	0.3
78.95924	0.8
80.96519	0.3
121.67551	0.2
130.70396	0.2
134.34763	0.2
138.59825	0.2
145.37346	0.2
149.02383	0.2
151.82710	0.1
152.99643	0.6
155.83391	0.2
156.04828	0.2
196.99994	0.2
211.13452	0.3
410.41830	0.2
528.55884	0.2
591.25391	0.4
602.85767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02503	0.6
59.01393	4.1
61.98833	14.5
67.83316	0.7
69.03403	0.7
69.31523	6.0
69.63989	0.6
71.01403	3.3
73.02927	1.2
75.33430	0.6
79.01892	1.9
83.01376	0.7
85.02962	1.0
88.98801	2.0
89.02467	1.7
93.03453	0.8
95.01394	1.4
96.96032	4.7
101.02435	2.7
107.01398	2.6
111.00867	1.8
112.76727	0.8
113.02420	1.1
117.05534	1.0
123.00080	1.1
123.00899	11.7
125.02460	11.7
128.75320	0.8
135.04517	2.5
136.98691	0.7
139.00366	3.4
140.01186	2.1
141.01985	1.5
142.09213	0.6
145.02963	0.8
150.84413	0.7
151.00391	9.9
155.25287	0.7
163.04123	0.8
168.00653	2.6
169.01439	15.9
175.04042	0.6
179.03455	2.2
180.03918	0.8
214.59375	0.7
239.06998	0.7
241.05154	0.8
255.06633	5.1
269.04559	3.0
283.06113	4.9
312.06424	14.0
313.07101	2.5
350.82025	0.7
527.21368	100.0
528.21710	10.6
530.27100	0.7
591.17273	17.4
591.26520	1.2
597.28735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
58.00595	0.9
59.01380	14.5
61.98839	6.4
63.18150	1.0
65.37132	0.7
69.03409	1.0
70.28603	3.1
71.01379	4.7
71.05032	8.9
72.99319	1.2
73.02933	1.6
75.78787	0.8
83.01408	1.1
83.05012	1.7
85.02938	1.5
87.00874	2.0
88.62183	0.9
88.98825	1.8
89.02449	2.7
92.66653	1.0
93.03494	0.9
95.05035	5.5
96.96017	6.1
96.96960	0.9
97.06609	2.0
98.03748	2.6
99.04520	1.8
101.02447	2.7
107.05049	1.1
109.02964	1.5
109.06586	4.1
111.00884	1.0
111.04504	2.5
113.02454	2.0
113.06097	9.8
116.92834	2.9
117.05591	44.0
117.88432	0.8
119.05054	0.9
120.99685	1.1
123.00877	3.4
123.04588	0.9
123.08189	1.0
125.02467	6.1
125.06087	1.8
125.67905	1.0
132.04596	1.0
135.04536	2.1
137.02470	1.7
137.09712	3.6
139.00362	1.6
139.07664	6.1
145.02975	2.1
145.10208	1.5
151.00398	2.3
153.09212	3.4
155.10786	33.7
157.05157	0.9
159.06660	2.5
161.02429	1.4
161.09641	1.0
163.04053	1.7
168.00803	0.8
169.01407	5.7
177.01959	1.2
179.03473	1.3
189.07687	2.0
199.09648	1.1
203.14490	1.3
205.15976	15.9
206.16362	1.3
223.16991	2.8
228.09898	0.8
267.16010	100.0
268.16306	5.3
271.04749	1.6
281.17743	1.0
283.02457	0.9
291.16055	1.8
300.99826	1.3
301.03134	1.3
309.16968	2.6
313.05743	1.0
316.02585	1.2
463.08926	1.2
481.82895	1.1
526.22888	2.0
529.26617	2.0
551.25024	1.3
589.29089	13.7
590.28351	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	588.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
61.98838	6.6
70.08427	3.3
85.02950	1.2
95.01432	0.9
97.02972	0.9
98.20567	1.1
101.02471	1.4
104.60528	0.7
107.01398	1.9
111.00859	2.2
123.00895	9.0
124.01715	0.9
125.02450	8.2
139.00383	2.8
140.01173	1.6
141.01895	0.9
151.00385	6.9
161.27032	0.7
168.00694	1.6
169.01450	11.2
175.28043	0.8
447.95425	0.8
525.23438	100.0
526.23657	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	588.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56432	0.2
59.01381	0.7
61.98832	100.0
62.98531	0.5
63.99253	0.6
69.40542	1.2
69.40948	0.4
71.01397	0.6
78.95927	0.3
83.01385	0.2
85.02937	0.3
88.98817	0.4
89.02453	0.3
89.51950	0.2
96.96033	1.4
98.19839	0.4
101.02468	0.4
109.02995	0.2
109.28059	0.2
122.03822	0.3
123.00903	0.3
125.02441	1.0
135.04579	0.6
140.01143	0.2
149.02451	0.3
150.03264	0.6
151.00352	0.4
151.03719	0.2
152.04790	0.6
161.02464	0.3
165.05589	1.0
166.05899	0.3
167.03479	0.3
168.34117	0.2
169.01477	0.7
176.03494	0.3
177.01865	0.3
179.03590	0.6
183.06827	0.3
195.06732	0.2
201.45857	0.2
211.02448	0.3
250.63245	0.2
279.87473	0.2
399.68921	0.2
425.28925	0.5
426.29373	0.3
525.23560	1.2
588.14716	0.3
588.27057	1.1
588.35431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	62.6
60.56336	2.5
61.98524	3.5
61.98833	62.9
69.03455	2.9
71.01385	65.6
72.60696	2.1
72.99301	3.9
73.02950	8.6
74.83388	2.3
83.01408	4.5
85.02956	9.9
87.00883	4.1
89.02455	77.4
95.01365	2.6
97.02944	5.6
101.02458	17.4
103.67015	2.2
113.02444	7.2
119.03482	7.9
125.02448	20.5
131.03503	23.0
149.04559	32.1
153.05533	6.0
165.78940	2.3
166.13185	2.2
191.05629	12.5
233.06618	5.6
235.17050	100.0
236.17345	5.4
278.25665	2.4
293.08783	44.3
341.81296	2.3
351.44629	2.5
544.81531	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	589.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94901	5.2
58.33343	6.0
59.01378	54.6
61.98842	39.0
69.03464	7.4
71.01381	52.6
71.60580	7.8
73.02973	12.0
74.92429	5.7
78.95901	7.1
83.01438	5.5
83.05038	10.3
85.02935	6.3
87.00894	7.0
89.02454	67.1
95.01372	6.5
96.96021	16.8
97.02953	10.0
99.00864	16.5
101.02460	27.5
113.02483	7.5
125.02463	20.1
131.03539	14.6
143.10820	72.5
149.04564	44.8
153.05595	13.4
161.04486	6.3
171.10309	8.7
172.77655	5.5
191.05620	11.2
208.54596	5.5
209.11871	100.0
227.13002	11.4
233.06664	12.6
235.17110	11.1
293.08783	33.9
407.62610	6.3
440.99918	5.9
589.30200	18.2
600.92682	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	587.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81915	4.6
59.01384	91.9
59.54664	3.8
61.98834	36.2
63.33304	4.4
69.03467	9.1
69.29113	31.7
69.29537	13.4
71.01387	86.9
73.02952	13.9
78.95912	63.3
79.15520	3.7
80.13875	4.5
81.76578	3.8
83.01395	4.4
85.02966	8.1
89.02451	100.0
96.96033	5.7
96.96960	7.0
97.02954	11.8
99.00887	17.0
99.04505	5.4
99.11742	4.1
101.02448	35.6
105.45969	4.0
108.67518	4.1
113.02439	11.2
125.02453	48.9
131.03497	15.1
139.04013	5.5
141.09233	13.9
143.03455	7.7
149.04541	53.6
152.99591	45.6
153.05589	8.0
157.08682	5.5
159.27896	4.0
171.10274	16.8
173.69502	4.3
191.05530	7.9
197.11807	11.7
209.11871	54.2
211.13402	3.9
223.13408	31.7
225.11426	7.1
227.12961	10.8
233.06635	22.0
233.15520	38.3
249.37584	4.9
293.08887	51.6
359.12726	18.1
363.12033	14.9
377.13605	8.1
537.69904	6.0
587.25720	28.6
587.35608	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	587.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51546	0.7
51.33051	0.8
56.64938	0.8
57.03444	2.6
59.01384	4.2
61.98833	100.0
62.71078	0.9
63.99250	0.8
67.01912	0.9
71.01383	3.5
73.02962	1.0
77.15818	0.7
78.95924	0.9
81.03465	4.8
82.90276	0.8
83.01398	3.8
85.02953	2.0
93.03459	6.8
95.01411	2.5
95.05008	0.9
96.96012	5.2
97.02975	1.5
98.19820	1.6
100.00368	0.7
101.02452	1.6
107.01396	3.1
107.05064	1.1
109.02961	1.8
111.00868	1.4
113.02441	1.5
117.03452	1.2
119.05040	10.1
121.02961	13.7
122.03740	10.6
123.00873	9.6
123.04538	12.4
124.01702	1.4
125.02448	36.9
133.02968	1.5
133.06638	1.2
134.03825	0.9
135.04510	6.5
137.02451	1.7
137.06036	1.3
139.00388	2.4
139.07695	2.4
140.01166	1.9
145.02940	7.8
147.04523	1.6
148.95543	1.0
149.02448	45.9
150.03232	64.2
151.00378	8.3
151.03729	2.5
153.01900	1.2
161.02449	1.5
161.06125	1.0
163.04018	5.0
164.04832	7.9
165.05574	67.5
166.02797	1.2
166.06358	37.2
166.10153	0.8
167.03499	28.5
167.07100	5.8
168.00648	2.7
169.01433	30.7
170.01765	1.2
177.01944	2.2
179.03455	7.8
180.04254	4.4
181.05135	1.0
181.08705	37.6
182.09116	1.1
189.01923	2.4
189.05504	1.1
195.06627	47.1
196.07074	2.9
197.08295	1.1
205.05069	1.9
205.12323	1.2
209.08173	1.4
211.02477	2.3
217.01382	1.5
219.13913	1.0
256.71643	0.9
265.07199	4.6
273.07715	24.2
274.08084	1.1
279.12344	1.2
299.05603	2.2
307.08240	7.1
313.05658	16.1
314.06097	1.2
315.08658	0.9
327.12497	1.0
341.06686	3.4
357.13449	11.6
391.17520	1.5
425.08759	17.1
426.09109	1.8
435.10861	4.5
439.08710	2.0
524.21863	2.3
539.14551	2.0
539.22845	42.0
540.22986	5.2
587.14105	40.6
587.26788	8.9
588.14520	6.4
588.26086	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	587.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79147	0.4
53.11888	0.3
58.82173	0.3
59.01371	0.8
60.01686	0.5
61.98825	1.4
66.52493	0.3
71.01392	0.9
71.27037	0.4
79.95753	5.1
81.03512	0.4
89.02466	0.6
91.17584	0.4
95.01381	0.4
95.95236	2.7
96.96020	100.0
99.04629	0.5
101.02411	0.5
113.02459	0.6
117.47877	0.4
120.92503	0.4
123.00887	1.4
125.02443	4.0
135.04521	1.6
137.02435	0.7
138.69733	0.5
146.08188	0.5
151.00394	0.9
169.01433	2.3
179.03604	0.4
267.86142	0.4
271.04691	0.5
273.08017	2.1
291.09311	0.6
313.05774	0.7
315.07806	0.4
393.07236	0.8
430.39490	0.5
441.67398	0.4
449.10938	0.8
525.16003	0.5
587.20093	57.0
588.20563	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	587.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09348	0.3
55.97012	0.4
59.01373	1.2
61.98824	1.4
62.63521	0.4
63.46629	0.4
69.25344	2.5
69.25772	1.4
71.01407	1.0
73.02950	0.4
79.95742	4.4
83.91325	0.4
96.96017	100.0
97.95939	0.6
98.20653	0.9
99.00866	0.4
101.02419	0.5
105.13512	0.4
109.02975	0.5
116.99593	0.4
123.00867	0.9
125.02446	2.8
135.55627	0.3
137.02492	0.4
139.00313	0.4
150.03178	0.5
151.00359	0.9
158.19250	0.5
165.04050	0.6
165.71585	0.3
169.01463	4.5
195.06653	0.5
211.02603	0.4
269.50323	0.4
273.07849	0.6
284.05386	0.5
289.06744	0.4
291.09079	0.4
292.35144	0.4
336.04987	0.4
344.78000	0.4
366.52112	0.3
406.34195	0.4
435.22226	0.7
459.14752	0.4
485.80908	0.4
507.11044	1.1
569.21112	0.4
587.19897	42.5
588.20239	4.6
591.33923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49480	0.7
57.03442	3.0
59.01375	3.2
60.99292	0.9
61.98834	38.5
66.31613	0.8
68.78077	0.9
68.79185	0.9
68.79553	0.7
69.03482	0.8
69.60702	4.9
69.61105	2.0
71.01369	3.0
71.70481	0.8
73.02943	1.0
76.33760	0.8
81.03451	6.9
83.01390	2.9
93.03440	2.7
96.96000	1.8
101.02410	1.8
107.01386	4.6
119.05032	8.4
123.00858	3.3
123.04534	17.3
125.02454	41.9
126.02768	1.1
132.83255	0.9
134.03769	1.7
135.04530	60.6
136.04829	1.8
139.00389	2.0
140.01117	1.3
149.02415	1.8
150.03226	1.9
151.00348	4.8
151.04063	0.8
161.02444	1.1
165.01917	1.0
165.05562	1.8
167.03503	43.7
168.00684	2.0
168.03815	1.2
168.99991	1.2
169.01440	34.9
179.03500	57.8
180.03842	2.1
187.07651	1.4
189.05553	1.2
191.03479	4.0
195.06674	2.3
200.81139	0.8
209.04611	0.9
211.02475	6.1
228.76329	0.8
231.91235	1.0
241.03680	1.3
271.04462	4.7
273.07700	28.3
274.08163	1.3
297.07748	2.0
313.05658	16.9
314.06134	1.6
407.09961	1.8
439.08713	4.1
481.09894	1.2
507.18948	4.2
524.21924	2.5
525.23175	1.5
587.14117	100.0
587.26752	6.8
588.14587	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	587.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12965	0.3
57.03447	1.2
59.01376	2.6
61.98834	100.0
62.98552	0.8
63.99268	0.6
66.48516	0.4
67.01892	0.6
69.03461	0.5
69.39985	2.9
71.01389	2.1
72.50146	0.4
72.99319	0.6
73.02941	0.4
78.95934	0.4
81.03452	2.1
83.01403	1.4
83.05080	0.4
85.02979	1.1
87.00884	0.6
88.98797	0.5
89.02467	0.7
93.03481	1.8
95.01419	1.2
95.05031	0.6
96.96011	2.6
97.02936	0.6
101.02456	1.0
107.01416	1.6
109.02982	0.7
111.00909	0.6
113.02477	1.0
113.06100	0.4
115.35376	0.3
117.03493	0.9
119.05038	3.4
121.02964	2.7
122.03759	2.9
123.00893	4.2
123.04525	4.4
124.01694	0.4
125.02453	16.4
135.03658	0.4
135.04536	2.4
136.05318	0.3
136.98798	0.4
137.02480	0.5
137.06091	0.6
139.00380	1.2
139.04028	0.7
139.07678	0.8
140.01199	0.8
141.02000	0.4
145.02968	3.7
149.02454	11.3
150.03239	14.0
151.00395	3.9
151.03690	0.6
152.04874	0.9
153.05637	0.5
156.56323	0.4
161.02533	0.6
161.06061	0.5
163.03992	2.1
164.04799	2.3
165.05579	16.0
166.06371	8.3
167.03505	11.4
167.07130	0.8
168.00642	1.2
169.01431	16.2
170.01733	0.6
177.01959	0.6
178.02789	0.4
179.03525	3.3
179.07208	0.4
180.04315	1.0
181.05043	0.6
181.08717	7.2
189.05585	0.7
191.03616	0.7
193.05112	1.0
195.06662	10.1
196.07309	1.0
197.08194	0.5
205.05049	0.5
205.12390	0.4
211.02539	1.4
218.10286	0.4
229.08919	0.4
234.34425	0.3
235.06279	0.4
265.07315	1.1
271.04672	1.9
273.07709	10.1
273.20987	0.5
274.07971	0.6
279.12466	0.4
286.24435	0.3
299.05548	1.0
307.08234	2.5
313.05670	9.8
314.06070	0.5
331.06927	0.4
341.06757	0.5
357.13461	2.3
424.28442	0.7
425.08841	5.8
425.29047	0.5
426.09491	0.5
435.11685	0.6
439.08820	0.8
524.22229	1.2
525.23181	0.6
539.22845	10.5
540.23425	1.1
587.14459	15.0
587.27216	9.1
588.14185	2.1
588.27649	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	586.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90936	0.2
57.03447	0.4
57.08650	0.2
59.01389	2.3
59.06545	0.2
61.98837	100.0
62.98551	0.3
63.99255	0.8
69.59886	0.4
69.60287	1.3
71.01385	2.3
72.06799	0.2
72.99334	0.3
73.02953	0.6
83.01395	0.3
85.02982	0.9
87.00864	0.5
88.98833	1.0
89.02444	1.2
90.98619	0.3
93.03516	0.3
93.52204	0.2
95.01388	0.6
96.96024	1.7
97.02965	0.3
98.20641	0.3
101.02460	1.5
107.01402	0.8
109.03003	0.5
109.10693	0.2
111.00940	0.5
113.02474	0.7
117.03484	2.8
119.03604	0.5
119.05040	3.3
120.99707	0.2
121.02982	0.7
122.03777	0.6
123.00902	1.8
123.04533	0.4
125.02461	4.3
125.03310	0.4
127.00468	0.3
127.80499	0.2
133.06630	1.1
134.20798	0.2
135.04535	1.4
135.08168	0.5
136.05344	0.4
139.00371	0.4
139.07687	0.4
140.01201	0.5
141.01888	0.3
145.02968	9.8
145.04114	0.5
149.02472	1.0
149.06123	0.4
150.03247	2.4
151.00375	1.9
151.03719	0.6
152.04886	0.3
153.01880	0.3
161.02499	0.5
161.04755	0.3
161.06058	1.6
163.04028	4.1
165.05609	2.4
166.06023	0.8
167.03554	0.3
168.00620	0.6
169.01434	4.2
176.03482	0.3
176.22034	0.2
177.01927	0.6
177.05634	0.5
179.03569	1.1
179.10818	0.6
181.05067	0.8
189.01997	0.4
195.06604	1.3
196.07132	0.6
205.05107	1.5
205.12358	0.3
211.02415	0.5
235.05983	0.6
265.07254	1.1
271.04709	0.3
273.20700	0.4
285.04041	0.4
286.04272	0.4
303.05331	0.3
313.05563	0.4
341.06720	0.8
347.74966	0.3
360.15582	0.2
380.15756	0.2
397.18759	0.4
423.27225	0.5
424.28064	0.6
425.29694	0.3
433.24561	0.3
435.11151	0.3
435.25818	0.3
441.17633	2.4
476.17068	1.0
477.17780	2.5
523.21924	11.3
524.22284	1.4
538.21820	0.3
543.22424	2.0
586.24573	1.7
586.34650	1.6
587.10883	0.3
587.12628	0.2
587.21338	2.6
587.29346	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31439	2.3
61.98830	18.5
69.61149	14.3
71.01380	2.6
81.70789	2.8
84.97224	2.3
88.67036	2.4
95.01402	3.1
96.96026	3.5
123.00896	13.4
125.02471	12.7
135.04507	14.3
139.00365	2.6
151.00357	8.9
152.13681	2.8
165.01889	3.9
169.01439	20.1
179.03523	15.2
301.03534	5.2
302.03888	5.2
313.05817	2.7
395.51633	2.6
523.21875	100.0
524.21844	14.6
538.21820	4.7
586.09485	3.2
587.14734	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01384	1.6
61.98524	0.4
61.98832	7.5
66.53003	0.3
67.01891	0.4
68.99808	0.5
69.03489	0.3
69.46149	2.5
71.01392	1.6
72.99295	0.4
73.02936	0.6
79.01890	0.7
83.01392	0.9
84.77321	0.3
85.02948	1.1
87.00877	0.3
89.02443	0.6
95.01369	0.8
97.02979	0.4
101.02432	1.3
107.01407	2.0
111.00876	1.3
113.02442	0.6
119.05011	0.5
123.00893	10.4
124.01714	0.7
125.02454	10.7
126.02773	0.7
136.35957	0.3
136.98808	0.8
137.02417	0.3
139.00395	3.0
139.84650	0.3
140.01180	2.0
141.01942	1.1
150.03119	0.4
151.00372	7.0
152.00668	0.4
153.01945	0.5
161.02441	0.3
163.04012	0.5
165.05580	0.6
168.00658	1.5
169.01428	13.6
170.01758	0.9
181.34125	0.3
209.15456	0.5
211.02429	1.0
253.03572	0.5
271.04596	0.6
272.06390	0.6
301.03140	0.6
313.05557	2.2
314.06079	0.9
376.62442	0.3
440.09131	0.7
511.61115	0.3
523.21844	100.0
524.22162	10.6
586.13043	2.3
586.25952	3.1
587.13647	0.5
587.27039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.5
61.98833	100.0
68.99813	1.6
69.35632	1.8
69.36037	6.5
71.01384	5.3
73.02983	0.9
85.02987	2.4
87.00887	1.1
88.98837	1.5
89.02488	2.5
93.03493	2.7
95.01415	1.6
96.96037	3.6
97.02993	1.3
101.02471	3.4
107.01414	2.3
108.02245	1.7
109.02954	1.7
111.00946	1.4
116.92912	4.0
121.03012	1.1
122.03754	4.7
123.00910	8.4
123.04560	3.3
125.02464	15.3
135.04567	1.9
135.08179	1.0
136.05296	30.9
137.02464	1.9
137.53127	0.9
138.03268	2.8
139.00432	2.8
139.04094	1.7
140.01149	1.3
147.04506	1.0
149.02429	5.8
149.06081	7.3
150.03224	23.8
150.04309	1.4
150.06857	15.6
151.00377	6.7
151.03789	1.3
153.02060	1.1
153.05594	1.2
161.02438	1.1
162.03290	1.0
163.04025	1.1
164.04805	1.6
164.08485	1.6
165.05574	26.6
165.09212	34.4
166.06023	1.7
167.03485	1.1
168.00674	1.9
169.01431	16.9
169.02747	1.3
177.05666	1.5
178.02759	2.0
179.10847	1.3
180.04277	2.1
181.05064	1.6
183.02985	0.9
185.11877	1.1
193.04993	4.3
194.05481	2.2
195.06642	18.8
204.82896	0.9
211.02545	2.6
257.04529	6.9
257.17606	14.9
257.71982	1.0
271.04794	2.4
290.91791	1.0
290.95520	1.1
317.89377	1.0
325.11017	1.2
329.10471	2.5
341.10544	3.0
344.12875	2.4
359.15076	8.2
371.14972	6.2
394.49026	0.9
405.26303	5.9
419.10153	0.9
422.26846	2.6
423.27487	33.9
424.28119	3.2
447.27863	1.3
522.21082	5.3
523.21844	37.9
567.32806	1.3
585.25073	8.8
585.33209	60.9
586.25421	1.7
586.33862	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	586.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09321	0.6
57.71006	0.6
59.01384	2.9
61.98836	13.2
69.47396	3.4
69.47808	1.4
71.01395	3.2
72.99300	0.7
73.02961	1.2
79.01895	0.7
83.01398	1.3
85.02948	1.5
87.00956	0.8
93.08277	0.7
94.32285	0.7
95.01411	1.0
101.02444	1.2
103.56564	0.7
103.57431	0.6
107.01393	2.9
107.60135	0.6
111.00900	1.6
113.02355	0.6
123.00901	11.8
124.01638	0.8
125.02457	13.6
126.02805	0.6
136.98787	0.9
137.02393	0.9
139.00372	3.6
140.01178	2.8
141.01929	2.0
144.27261	0.6
150.03220	0.7
151.00375	9.3
153.01994	1.2
165.01917	1.6
165.05605	1.4
166.02385	0.8
167.03409	0.8
168.00648	2.7
169.01425	17.9
179.03529	1.7
180.04332	0.9
181.04805	0.7
193.04977	0.8
195.06595	2.7
196.06937	0.8
211.02460	1.2
219.90485	0.8
225.07680	1.4
226.07932	0.8
313.05630	2.2
314.05753	0.7
338.92300	0.7
348.80972	0.7
500.47021	0.8
523.21869	100.0
524.22180	11.9
536.46161	0.7
586.13385	1.6
587.13910	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	585.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19529	0.9
59.01383	23.3
60.87299	0.9
61.98835	68.7
65.88687	0.9
71.01389	4.9
71.61629	1.0
73.02954	1.2
75.00861	1.8
78.91902	6.7
82.06819	1.0
85.02948	2.5
88.98839	1.3
96.96013	3.9
97.02993	2.2
101.02443	3.7
107.01386	2.3
113.02485	2.1
116.92889	3.0
121.06579	1.5
123.00917	4.9
123.04536	1.7
125.02462	11.9
135.04539	3.8
136.05305	46.2
137.02448	1.3
137.05946	1.2
139.00421	1.4
139.04051	5.7
149.04507	0.8
149.04782	1.1
149.06087	15.1
150.06870	6.0
151.00343	3.3
151.03986	1.6
162.06888	2.1
163.04059	1.1
164.08371	6.8
165.01955	5.9
165.05540	4.3
165.09189	17.8
168.00679	1.6
169.01454	13.4
175.02692	1.0
176.03529	2.8
179.07170	2.2
183.03004	2.0
207.10292	1.1
211.02480	2.1
217.04790	1.4
253.17952	2.0
257.17566	1.2
271.04587	2.8
293.08499	1.6
313.05591	3.4
345.24338	2.7
348.23160	8.5
360.26746	1.7
361.27493	4.4
362.24664	15.5
363.25409	72.6
364.25635	5.8
369.01526	1.3
405.26474	1.1
422.26825	1.6
423.27548	12.4
439.44229	1.3
522.20660	8.7
523.21930	8.2
543.45337	1.1
585.33289	100.0
586.33667	12.3
612.73474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
61.98837	12.0
70.43191	3.7
70.43537	2.1
70.48563	1.4
71.01419	1.6
79.57756	1.0
90.51240	1.2
96.96020	2.1
101.02461	2.3
113.02488	1.4
114.84432	1.0
115.40414	1.2
119.01820	1.4
123.00950	1.7
123.04568	2.0
125.02460	3.4
125.06055	1.4
128.42136	1.1
135.08215	1.5
136.05284	7.1
137.06108	8.3
139.04042	1.4
148.05293	8.3
151.00447	1.9
151.03996	11.5
151.07704	1.2
152.04796	84.6
153.05414	2.7
162.14026	1.1
163.07649	28.0
165.05573	58.3
166.05952	1.4
169.01424	4.1
179.07089	5.8
241.18011	9.4
361.27478	1.4
369.24487	2.8
377.27094	1.4
387.25476	11.3
405.26645	5.2
422.26752	34.3
423.27509	76.1
424.28064	4.5
465.28687	3.3
499.02786	1.3
585.33032	100.0
586.33258	10.1
593.47931	1.4
593.57837	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	585.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01384	7.1
61.98837	43.3
69.03441	1.2
70.17841	3.6
71.01392	4.4
73.02967	1.4
75.00880	1.3
79.01907	0.8
80.87215	0.7
82.81432	0.8
83.01386	1.1
85.02953	2.9
87.00902	1.8
88.98810	1.2
89.02454	2.2
95.01420	1.1
96.96027	2.9
101.02462	2.7
107.01396	1.6
111.00931	1.3
113.02454	2.9
119.03532	1.1
121.06622	1.3
122.03765	1.5
123.00919	5.3
123.04534	2.1
125.02452	7.2
135.04494	2.1
136.05319	36.6
137.06075	1.8
139.00436	1.4
139.04018	1.0
141.01918	0.8
145.03017	0.9
149.02458	1.1
149.06099	12.9
150.03304	1.6
150.06888	22.7
151.00381	3.4
151.03973	1.0
151.07411	0.9
153.01994	1.4
157.08670	1.1
162.06895	2.3
163.07639	1.1
164.08427	3.2
165.05606	3.0
165.09232	56.1
166.09550	2.1
168.00583	1.3
169.01430	7.2
174.35020	0.8
180.64421	0.9
197.15443	1.3
199.13429	12.4
205.12323	10.4
207.10289	1.6
211.02571	1.3
239.16570	12.8
257.17670	4.4
271.04565	1.5
271.19128	1.6
274.01227	2.0
313.05734	1.0
377.26971	3.7
405.26764	5.1
422.26801	3.8
423.27576	60.7
424.27954	5.8
433.24527	2.8
434.24823	0.9
447.27490	1.9
465.28641	1.7
523.21912	1.4
567.31714	1.3
585.33252	100.0
586.33661	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	585.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97418	0.6
53.70337	0.6
57.03460	1.6
57.98741	0.7
59.01384	6.4
61.98837	18.0
62.43641	0.6
69.03471	0.7
71.01379	3.6
73.02969	1.1
75.00880	1.3
78.10513	0.6
80.94540	0.6
85.02973	2.1
87.00927	1.1
89.02500	1.0
90.75061	0.6
94.09161	0.6
96.96041	2.2
97.02993	0.8
98.19828	1.2
99.92664	0.7
101.02471	2.0
107.01409	1.6
109.02974	1.5
109.40895	0.6
111.00959	0.9
113.02500	1.9
116.92876	4.3
119.87415	0.6
121.03034	0.7
121.06609	1.6
122.03760	0.8
123.00883	5.2
123.04576	2.1
125.02466	6.4
135.04533	1.5
136.05313	32.1
137.02528	0.7
137.06056	1.0
139.00407	1.4
139.04062	0.9
140.01196	1.3
147.08150	0.8
148.05312	0.7
149.06096	15.6
149.07214	1.1
150.03229	1.4
150.06880	24.4
151.00369	3.0
151.04001	1.1
153.05667	1.0
155.14467	0.8
161.06100	0.6
162.06851	1.8
163.04137	0.7
163.07661	1.5
164.08467	1.8
165.05627	2.8
165.09215	60.7
166.09622	2.4
167.03481	0.7
169.01433	7.8
179.10808	1.3
190.10052	2.0
197.15556	1.0
199.13414	15.5
205.12340	10.4
207.10309	1.4
211.02457	1.4
213.14917	0.8
239.16530	16.5
240.16913	0.7
255.19725	0.8
257.17569	1.2
271.04526	0.8
362.25076	1.0
363.25378	3.6
387.25531	0.8
405.26569	4.9
406.26819	0.7
422.26770	10.2
423.27539	47.3
424.27927	3.8
447.27786	1.9
523.22516	1.5
582.69360	0.7
585.33057	100.0
586.33362	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	585.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38875	0.7
59.01374	1.9
59.98352	0.7
61.98840	3.6
62.92365	0.7
67.01878	1.1
69.94762	0.6
71.01375	1.7
83.01391	1.4
89.02467	1.2
93.03461	0.8
95.01392	1.6
95.05033	1.0
96.96015	1.4
97.02957	2.9
107.01412	1.7
108.02168	1.0
109.02960	22.4
121.02939	2.1
122.03751	1.4
123.00884	4.1
123.04519	13.1
125.02454	7.9
135.04529	2.5
137.02457	14.8
137.47157	0.8
139.00386	1.5
139.04016	9.7
140.01149	0.8
147.04495	2.8
149.02454	11.7
150.03206	2.2
151.00430	3.3
151.04012	14.9
159.04457	0.9
161.02443	5.7
161.06142	1.3
163.04008	3.1
168.00713	0.7
169.01434	9.5
173.06126	0.9
176.01137	3.1
177.01930	6.4
178.02690	2.8
179.03474	2.1
191.03497	8.3
192.04167	1.2
197.06053	2.1
203.03438	0.8
205.05057	2.0
211.02461	0.9
213.05527	6.8
215.07135	33.9
216.07486	1.6
222.55751	0.7
229.63963	0.7
239.07140	1.3
247.06441	0.8
255.06650	1.3
257.08206	7.4
283.06067	1.3
299.12936	1.5
301.07156	36.6
302.07562	1.8
379.19174	1.7
423.18124	100.0
424.18445	9.7
454.02475	0.8
503.33664	2.0
585.29675	25.1
586.29791	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	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18816	0.5
59.01387	1.4
59.06900	0.5
61.98834	19.5
63.07160	0.5
68.18801	0.5
69.36109	2.9
69.36536	1.5
74.84525	0.4
79.91389	0.4
93.03447	4.2
95.01411	0.6
95.19144	0.5
96.96027	0.7
109.03014	0.6
115.57141	0.5
121.02950	5.9
122.03748	14.1
123.00912	1.3
124.01685	0.6
125.02460	1.1
130.61197	0.5
132.02167	0.6
133.02953	1.4
135.04553	1.0
136.01642	1.3
142.26389	0.5
147.04503	0.7
149.02451	37.4
150.03235	96.3
151.03708	2.1
160.01665	0.8
164.04807	6.8
165.05577	100.0
166.05893	3.4
169.01433	2.6
175.04137	0.5
179.07135	1.2
180.04291	5.5
181.05022	0.7
195.06633	60.6
196.06944	2.7
213.05444	0.5
242.09462	0.8
270.08963	2.1
277.29395	0.5
283.09796	1.5
285.11340	2.0
286.08572	0.8
297.11423	0.9
298.08484	1.6
298.11792	0.6
299.09167	1.4
299.12878	1.4
301.10953	0.7
310.08566	0.9
311.09314	0.6
313.10806	1.2
314.07986	2.1
325.10696	1.5
326.07962	0.6
326.11340	0.9
327.12387	4.4
328.13135	6.2
329.10278	5.5
329.13681	0.9
330.10892	1.5
339.12482	0.6
341.10303	7.2
342.10800	0.7
343.15488	1.9
344.12674	6.4
345.13467	1.4
355.11893	0.8
356.12634	3.2
359.15005	23.1
360.15445	1.3
371.10257	0.9
371.15002	16.3
372.15192	0.9
402.35684	0.5
411.01028	0.5
461.15787	1.0
463.17691	1.5
491.17050	0.6
492.17966	2.1
506.72720	0.6
507.20358	7.4
508.20309	0.6
519.20422	1.1
521.21375	0.5
522.20251	2.0
537.21332	45.7
538.21759	6.2
585.24115	6.3
586.24933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
61.63826	0.6
61.98829	8.5
70.06715	0.6
71.01382	2.4
71.60593	0.7
73.02958	0.9
78.91895	2.8
79.95715	0.6
81.03452	0.6
83.01397	1.8
85.02930	0.9
88.98816	1.1
89.02444	1.1
93.03438	0.9
95.01366	1.2
95.05014	1.1
96.96008	1.4
97.02938	2.2
101.02447	1.8
107.01402	1.4
107.05026	0.6
108.02194	0.8
109.02959	18.2
111.00838	0.8
113.02444	1.1
119.03576	0.7
121.02965	1.4
122.03756	1.4
123.00875	4.2
123.03738	0.8
123.04536	12.2
124.01711	0.7
125.02444	7.4
135.04526	2.6
137.02455	12.8
139.00380	1.4
139.04008	7.1
140.01105	0.9
141.01952	0.6
145.02940	1.2
147.04529	1.6
149.02438	12.4
150.03188	2.1
151.00327	2.7
151.04025	15.7
159.04527	1.5
161.02454	4.2
161.06096	1.7
163.03981	4.7
164.01187	0.6
164.04620	0.6
165.01897	1.0
165.05536	2.3
169.01421	6.0
173.06110	0.7
175.04088	0.8
176.01132	2.1
177.01955	3.8
178.02681	2.1
179.03514	3.6
187.03995	1.1
191.03484	5.2
197.06183	1.4
199.33240	0.6
201.05605	0.6
203.03560	0.7
203.07193	2.4
205.05116	4.4
206.05328	0.9
213.05553	3.6
214.49319	0.5
215.07129	17.6
216.07506	1.4
239.07100	0.6
255.06735	1.1
257.08301	3.9
259.13440	2.8
271.13300	2.4
283.06094	0.8
299.13007	1.2
301.07199	17.9
301.14496	0.7
302.07574	1.1
311.06100	0.6
311.91394	0.6
313.14456	1.0
323.18533	0.6
332.85178	0.6
344.54489	0.6
354.03394	0.6
376.80063	0.5
379.19186	3.3
384.82071	0.6
409.10303	0.6
423.18134	100.0
424.18494	11.1
463.12689	0.9
585.29926	24.5
586.29474	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	585.1254
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
54.18168	0.6
57.03443	3.1
59.01385	7.8
61.98833	12.4
63.02396	1.0
67.01877	1.1
69.03451	1.3
69.49737	1.8
69.50159	2.5
71.01383	7.2
71.05045	0.9
71.77797	0.6
72.99317	0.9
73.02947	1.2
79.01881	1.5
81.03457	0.8
83.01385	5.1
85.02940	2.2
87.00877	0.9
89.02438	2.3
91.01901	1.6
93.03454	2.0
95.01392	2.9
95.03510	0.6
96.96022	3.7
97.02949	1.7
98.95625	0.9
100.89363	0.6
101.02447	3.5
107.01395	15.3
109.02961	3.0
110.27840	0.6
111.00870	2.9
113.02432	2.4
117.03429	1.2
117.05589	2.4
119.05031	11.6
121.02926	1.1
123.00893	19.8
124.01671	0.9
125.02454	71.2
126.02769	1.2
127.00390	1.2
134.43646	0.6
135.00888	3.8
135.04573	0.7
136.98814	2.4
137.02420	2.0
139.00377	7.1
140.01173	3.8
141.01920	2.5
145.02933	2.2
149.02431	1.9
150.03188	2.2
151.00377	36.8
151.03934	1.3
152.00784	0.5
153.01938	6.3
153.77267	0.7
161.02438	2.2
163.00432	0.8
163.03955	1.2
165.01910	2.7
165.05534	2.4
167.03477	2.0
168.00621	6.4
169.01437	72.9
170.01770	1.1
175.00316	1.0
177.01932	2.4
178.99828	1.6
179.03484	1.7
185.06097	0.8
187.04028	1.2
193.01398	0.9
193.57352	0.6
195.06625	2.5
211.02489	12.4
212.02786	0.6
223.02431	0.8
227.03542	0.6
227.07156	1.3
229.05153	0.8
241.03534	1.2
243.03024	1.1
247.02466	0.9
253.03473	0.9
255.02986	3.3
271.01807	2.9
271.06091	9.3
283.04599	1.4
299.99353	1.3
300.02704	11.8
301.00034	1.0
301.03366	5.2
313.05652	35.2
314.05948	1.3
315.01450	0.6
335.13370	0.8
369.49838	0.6
389.16077	0.7
425.28152	0.7
433.07724	6.5
439.08804	29.4
440.09213	2.5
465.06580	2.4
491.08310	2.3
505.17111	1.1
522.20605	0.9
523.21838	14.2
524.35156	1.0
584.24255	1.7
585.12085	55.3
585.25446	100.0
586.13190	6.5
586.25964	5.7
587.66663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13434	0.4
55.21356	0.4
59.01376	1.6
61.98838	3.0
71.01396	0.5
71.05048	0.6
72.99281	0.5
80.38527	0.5
81.03455	0.4
83.01387	1.7
85.02971	0.6
93.03467	1.0
95.01417	0.8
95.05040	1.1
96.96016	1.0
97.02951	1.9
105.03454	0.6
107.01378	1.0
107.05045	0.7
108.02178	1.0
109.02966	18.4
121.02992	1.3
122.03783	2.4
123.00881	2.1
123.04533	13.2
125.02445	4.7
135.04539	2.6
137.02457	13.7
139.04039	6.4
145.02942	1.1
146.03787	0.6
147.04556	1.3
149.02446	14.4
150.03192	1.9
151.00407	1.1
151.04005	17.6
159.04518	0.9
161.02492	3.1
161.06039	1.5
162.03288	0.9
163.04021	5.3
164.01169	0.6
165.01917	1.5
169.01460	3.4
175.03995	0.9
176.01166	2.0
177.01913	3.9
177.05615	0.9
178.02670	2.0
179.03476	3.5
187.04060	0.9
189.05476	0.5
191.03522	4.9
192.04146	0.9
197.06114	1.3
201.05632	0.5
203.03464	0.8
203.07155	2.9
205.05049	3.9
206.05429	0.5
213.05585	3.3
215.07132	19.6
216.07530	1.1
229.74588	0.6
231.02962	0.7
233.08206	0.6
239.07060	0.9
257.08209	3.8
259.13416	1.9
271.13531	2.3
271.19052	1.4
283.06134	0.6
295.19254	0.5
299.13126	0.6
301.07193	16.2
301.14420	0.8
302.07504	0.8
313.14700	0.7
342.37778	0.5
379.19238	3.8
423.18146	100.0
424.18521	10.7
578.96790	0.6
585.23303	9.0
586.23773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11724	0.7
51.77345	0.6
51.94802	0.6
55.22291	0.7
57.03437	1.9
59.01382	8.9
59.89405	0.7
61.98840	10.5
63.02378	1.4
66.80487	0.8
67.01900	2.4
69.03447	1.1
69.89144	3.2
71.01388	10.2
72.99307	1.7
73.02955	2.0
78.17150	0.9
79.01897	1.1
83.01391	4.4
85.02947	3.3
85.11548	0.8
87.00867	1.2
88.98777	1.1
89.02439	2.4
91.01909	1.3
93.03461	2.3
95.01379	2.9
96.95438	0.9
96.96027	10.2
97.02942	2.2
98.95609	2.8
99.00908	1.2
101.02462	4.8
107.00697	1.1
107.01396	14.7
109.02951	3.7
111.00867	3.2
113.02447	3.7
113.48828	0.8
117.03483	1.4
117.05557	2.4
119.03444	0.7
119.05028	5.9
121.02989	3.7
122.03728	1.6
123.00900	21.7
123.04523	1.6
124.01688	1.7
125.02454	70.4
126.02780	2.4
127.00367	1.0
129.66042	0.7
135.00894	3.7
135.04530	1.3
136.98805	1.1
137.02435	2.0
139.00391	7.4
139.04088	1.4
140.01172	5.2
141.01894	2.7
143.02177	0.8
145.02943	5.0
147.04492	0.8
148.01695	0.9
149.02451	3.6
150.03215	6.1
151.00378	45.4
151.03970	2.9
152.00671	1.2
153.01921	5.9
153.05547	1.1
157.97539	0.8
161.02400	2.7
161.06052	1.3
163.00346	1.9
163.04012	2.5
164.04788	1.9
165.01904	2.5
165.05536	5.0
167.03484	1.4
168.00659	6.8
169.01439	69.3
170.01770	1.5
175.00354	0.9
175.03999	1.5
177.01901	1.7
178.99850	7.3
179.03397	1.9
179.07092	1.4
181.05005	1.0
185.06085	1.0
187.04005	1.1
190.99858	1.1
193.01451	0.9
195.02995	1.7
195.06618	3.2
197.08191	1.0
203.03568	1.1
211.02466	7.4
211.04115	1.0
223.02426	2.2
223.13348	0.9
227.03522	1.6
229.05011	1.1
241.90451	0.8
243.03018	6.1
245.04582	1.0
247.02406	0.9
254.02196	1.1
255.02994	15.8
256.03378	1.0
271.02393	33.3
271.05334	3.6
271.06146	3.0
272.02963	3.3
275.01907	2.0
276.02185	0.9
283.04691	9.7
299.99124	18.2
300.02734	74.0
300.99875	2.7
301.03442	27.6
302.03824	1.8
313.05664	19.5
315.01508	15.9
316.01920	1.3
335.13461	1.9
389.16162	1.3
433.07770	27.6
433.20688	1.0
434.08047	2.6
439.08844	18.0
440.08875	1.4
491.08118	1.3
505.06345	3.1
505.17081	1.1
513.19635	1.3
522.20514	1.7
524.34991	1.2
537.21216	2.9
547.21826	2.8
584.24200	3.2
585.09259	100.0
585.25299	75.9
586.09186	11.6
586.26160	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	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61959	1.0
51.97646	0.9
57.40538	1.0
59.01389	4.3
61.98838	12.6
63.34653	0.9
69.34573	7.7
71.01389	2.9
85.02962	1.2
95.15536	0.9
96.96059	1.0
107.01402	4.7
111.00928	1.7
117.88896	0.9
123.00879	5.8
125.02462	25.6
137.09695	1.4
139.00378	1.9
140.01152	2.8
145.01546	0.9
151.00435	4.4
167.03464	1.2
168.00650	12.4
169.01445	39.6
211.02499	60.5
212.02753	2.1
241.03493	1.9
256.79385	0.9
271.04602	100.0
272.04901	4.4
283.96689	1.1
294.09967	1.0
313.05643	2.4
331.06714	35.3
332.07007	1.6
437.80984	1.0
439.08664	2.3
521.20319	52.3
522.20526	5.8
523.35132	1.8
585.12488	3.4
585.25092	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	584.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.2
61.98835	100.0
71.01382	2.0
79.95767	0.4
83.01378	0.3
85.02979	0.7
89.02468	1.0
95.01407	0.5
96.96010	1.3
101.02463	1.1
103.30566	0.2
107.01390	0.6
111.00922	0.4
113.02464	0.7
119.03522	0.3
121.02990	0.7
122.03761	1.0
123.00901	2.4
125.02464	3.3
129.05798	0.2
135.04533	0.6
136.05328	0.5
136.98831	0.3
137.02455	0.3
137.09703	0.4
139.00395	1.0
140.01239	0.6
149.02457	1.8
149.06073	0.2
150.03230	4.5
151.00391	1.8
151.03979	0.3
161.02521	0.4
165.05569	4.5
165.09224	0.3
168.00691	0.8
169.01437	5.2
169.02802	0.5
170.01799	0.5
174.92451	0.3
176.03548	0.6
179.03627	0.2
180.04326	0.5
190.06343	0.4
195.06612	2.9
195.08215	0.3
201.58746	0.2
205.08488	0.3
211.02483	1.2
271.04749	0.9
297.06223	0.4
313.05927	0.4
359.15164	2.1
381.97415	0.3
397.05591	0.3
423.27472	0.4
521.20325	20.7
522.20508	2.1
523.34833	1.9
524.35248	1.5
537.21313	3.0
584.24164	1.1
584.31744	0.4
585.25433	1.1
585.33844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0897
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
51.26991	0.7
57.03428	1.4
59.01385	6.7
61.98835	12.8
63.02383	1.1
64.15582	0.7
67.31297	0.6
69.03452	1.2
69.89311	1.6
69.89716	2.6
71.01395	8.0
72.99304	1.4
73.02951	1.5
79.01891	0.8
79.95684	0.8
81.03453	0.6
83.01382	2.1
85.02928	2.5
87.00868	1.0
88.27270	0.6
88.98795	0.9
89.02454	1.5
93.03482	3.3
95.01381	2.6
95.52911	0.7
96.96017	7.7
97.02958	1.7
98.95569	2.1
99.00842	0.7
101.02405	1.9
103.38077	0.6
105.51095	0.6
107.01411	10.6
108.02165	1.4
109.02923	3.5
110.00157	0.9
111.00830	2.4
113.02413	2.1
117.03433	1.9
117.05563	1.6
119.05035	4.2
121.02931	3.1
122.03687	1.0
123.00898	15.5
123.04436	0.8
124.01646	1.3
124.24435	0.6
125.02462	51.3
126.02747	1.0
130.78027	0.6
133.02930	0.9
135.00832	1.9
135.04483	1.6
136.98776	2.0
137.02420	2.8
139.00406	4.6
139.03947	1.2
140.01140	2.8
141.01881	2.6
145.02940	4.8
149.02377	2.8
150.03230	6.1
151.00388	31.0
151.03931	0.9
152.00635	0.7
153.01923	3.7
161.02380	1.9
163.00325	2.1
163.03983	2.1
164.01076	0.9
164.04756	1.9
165.01924	1.8
165.05550	7.1
167.03441	1.3
168.00641	5.5
169.01437	44.9
170.01712	1.6
173.02226	0.7
177.05582	0.7
178.99864	6.5
179.03455	2.5
179.07095	1.1
193.01469	1.1
195.02950	1.8
195.06625	4.8
197.08076	0.9
201.01889	0.6
211.02419	4.5
215.03545	0.9
223.02437	2.1
226.02599	1.1
227.03418	2.5
230.01544	0.8
241.03308	0.9
243.02966	5.0
244.03433	0.8
245.04497	0.9
254.02171	1.3
255.02980	16.6
256.03491	0.8
271.02420	30.2
271.05191	2.3
272.02863	2.5
273.03845	0.7
275.01767	3.0
276.02249	1.0
283.04712	8.3
286.05539	0.6
299.99039	10.8
300.02713	72.9
300.99710	4.7
301.03360	24.8
302.03922	1.1
313.05646	9.5
314.05963	0.8
314.98019	0.8
315.01483	10.7
316.01981	1.4
335.13339	1.2
389.15836	2.4
433.07788	24.7
434.07639	2.5
439.08868	8.0
440.09341	0.7
465.06360	0.8
505.06122	1.6
522.20599	2.0
523.21832	1.8
537.20673	1.5
547.21436	3.0
548.21716	0.8
584.24219	1.8
585.08716	100.0
585.25208	38.4
586.08984	12.8
586.25977	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	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09177	0.7
53.13836	0.8
54.38124	0.8
57.03469	1.1
59.01385	5.2
61.98835	100.0
67.11118	0.8
69.38187	8.2
71.01392	3.9
72.99335	0.9
74.11147	0.9
85.02954	1.6
89.02451	1.9
93.99877	0.8
95.01389	1.4
96.96029	2.0
97.05824	0.8
101.02457	3.3
107.01398	3.1
111.00900	2.0
113.02427	1.7
115.38339	0.8
123.00901	6.3
124.01751	0.8
124.70129	0.8
125.02454	17.0
126.05598	0.8
135.04523	4.8
136.98845	0.9
139.00354	1.8
140.01170	2.3
150.03232	1.4
151.00385	5.5
161.02374	1.3
168.00607	5.6
169.01443	24.8
193.05089	3.6
211.02475	35.0
212.02814	1.1
226.48415	0.8
241.03448	1.2
265.42584	0.9
271.04599	39.4
272.04962	1.2
279.34772	0.8
282.07388	0.8
331.06784	1.8
365.08005	0.9
443.07782	1.1
486.45709	0.9
521.20319	86.6
522.20477	10.2
523.34644	2.7
524.35406	2.5
584.24158	4.9
585.11902	1.3
585.25452	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	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
59.01383	6.6
61.98835	100.0
65.00324	0.5
69.03476	0.4
71.01376	4.2
71.61751	0.7
72.87041	0.4
72.99322	0.7
79.01913	0.4
79.24297	0.5
83.01406	0.5
85.02966	1.4
87.00908	0.7
88.98817	1.1
89.02457	1.9
93.03510	0.9
95.01399	1.5
96.96026	2.7
97.02953	0.8
101.02459	2.6
106.08801	0.4
107.01397	4.3
108.23510	0.4
109.02954	0.5
111.00905	2.1
113.02481	1.3
119.03565	0.5
120.99710	0.5
123.00895	7.4
124.01721	1.4
125.02456	20.6
126.02834	1.0
127.00342	0.7
129.27902	0.4
133.02988	0.6
135.04529	3.0
136.98842	1.2
137.02419	0.7
139.00391	3.1
139.04034	0.8
140.01189	3.5
141.01959	1.0
149.02518	0.6
150.03186	1.0
151.00389	5.5
153.01936	1.2
161.02409	0.5
165.01973	0.7
165.05623	1.0
167.03552	1.1
168.00638	8.5
169.01439	31.7
170.01776	0.9
178.99994	0.6
183.02887	0.5
191.05701	0.5
193.05101	2.9
211.02487	39.9
212.02745	1.1
235.68010	0.5
241.03584	2.0
271.04602	46.5
272.05066	1.9
313.05783	0.6
331.06851	1.9
361.29684	0.6
363.00436	0.5
459.09332	0.6
521.20313	95.2
522.20538	10.9
523.35120	3.2
524.35217	2.2
583.24237	0.6
584.24286	5.2
585.12018	2.1
585.25403	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	584.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56384	0.7
59.01385	3.0
61.98836	100.0
70.04202	3.6
71.01385	2.9
79.95745	1.3
83.01405	1.5
85.02974	1.0
87.00904	1.3
89.02470	0.7
95.01412	0.9
96.96021	24.5
99.35833	0.7
101.02466	2.1
107.01378	1.9
109.02953	12.3
111.00927	1.7
113.02486	2.3
123.00903	3.4
124.01694	0.7
125.02451	8.6
126.02829	1.0
135.00868	1.1
136.98784	1.0
137.02443	1.1
139.00426	1.3
140.01160	1.9
151.00398	2.5
152.01164	3.0
152.08429	1.1
153.01947	26.1
154.02415	0.9
168.00600	3.8
169.01424	11.2
170.01859	1.4
177.04053	2.4
183.02937	0.8
195.02991	6.5
196.90442	0.7
205.12361	1.7
211.02504	2.2
213.03011	0.8
215.05705	1.0
248.87770	0.8
255.05104	5.0
271.04620	3.0
272.05005	2.0
297.06113	1.4
301.03488	1.6
313.05728	0.8
329.05331	1.6
439.08664	0.9
521.20294	93.3
522.20587	9.5
583.24152	1.7
584.24615	10.4
585.18732	3.6
585.25317	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.6
61.98833	10.2
66.55380	1.3
66.91928	1.3
69.60563	7.9
71.01370	2.0
74.24818	1.0
95.01490	1.1
101.73309	1.2
107.01392	4.1
111.00900	1.7
113.02520	1.6
123.00916	5.5
124.01626	1.7
125.02460	28.3
130.19945	1.1
136.98843	1.6
139.00400	3.4
140.01149	3.1
141.01880	1.1
151.00415	2.7
168.00676	15.4
169.01445	38.8
173.09911	1.2
211.02481	64.4
212.02872	2.1
230.94211	1.2
241.03363	1.8
271.04593	100.0
272.04922	5.0
331.02673	1.6
331.06674	32.9
332.07135	1.5
334.51941	1.2
473.78592	1.5
521.20300	67.0
522.20398	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	583.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
56.74327	0.5
57.03449	1.4
59.01384	15.9
60.99296	0.8
61.98836	100.0
66.65379	0.5
70.01031	0.6
71.01386	12.3
71.05042	0.8
72.99319	1.5
73.02948	2.1
79.95776	0.8
83.01425	2.3
85.02964	3.9
85.77329	0.7
87.00879	1.2
88.98822	3.9
89.02451	8.8
93.03477	1.0
95.01403	1.5
96.96015	7.7
99.00914	1.0
101.02448	9.2
102.15849	0.5
107.01425	2.0
109.02965	0.7
111.00888	0.8
111.88470	0.6
113.02454	5.9
117.05602	0.9
119.03509	3.2
121.02969	0.7
123.00105	0.6
123.00845	2.9
125.02456	7.4
135.04558	3.7
137.02429	0.8
139.00423	1.0
140.01250	1.2
143.03542	0.9
150.03247	1.5
151.00359	3.5
151.03996	0.7
153.05548	0.9
155.10789	0.6
159.03018	0.8
161.04604	2.1
161.09837	0.6
165.01962	1.0
165.05609	1.4
168.00671	2.5
169.01442	11.7
170.01807	0.6
170.29091	0.7
179.03499	1.0
179.05708	1.6
180.04276	0.9
187.13379	0.8
195.06624	1.8
205.05026	0.9
211.02478	3.2
225.07712	0.8
266.23145	0.6
271.04639	2.9
273.08020	0.6
301.03650	2.3
311.60904	0.6
313.05832	1.1
315.25735	0.7
361.29572	11.5
493.17422	2.6
503.34229	1.3
520.19031	6.9
521.20221	8.7
523.34888	42.4
524.35144	4.4
583.11279	1.7
583.23389	7.4
583.30212	5.4
584.23505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74889	1.1
57.03460	3.5
58.92926	1.2
59.01386	10.1
60.07253	1.3
61.98837	62.0
63.03197	1.3
66.90791	1.2
68.02767	1.3
71.01395	5.3
71.05008	1.5
75.00877	31.2
77.96980	1.3
82.37769	1.3
83.05045	1.4
85.02957	2.4
87.58376	1.2
88.98831	1.9
89.02430	1.6
93.03486	4.3
95.01369	1.6
96.66779	1.3
96.96008	4.8
98.18709	1.6
101.02445	3.7
107.01388	1.5
111.00931	1.9
113.02470	1.7
116.92869	1.3
121.02958	6.2
122.03761	15.1
123.00925	6.3
123.04536	1.9
125.02445	8.8
125.37466	1.3
131.03433	1.4
135.04587	1.9
135.70767	1.4
136.01715	1.7
136.05321	4.0
137.02472	1.9
139.00391	2.1
149.02451	18.8
149.06093	25.5
150.03239	94.8
150.06880	2.9
151.00378	3.0
151.03622	3.0
153.05536	1.7
153.12827	1.7
160.01614	2.0
161.92096	1.2
164.04808	3.7
165.05583	100.0
166.05930	2.9
169.01437	8.6
169.16006	2.5
175.03992	2.5
176.03551	2.6
179.03514	1.8
180.04286	5.3
182.08424	1.3
193.05072	2.0
195.06630	57.4
196.06949	2.0
199.13426	3.3
206.09476	5.9
207.10283	9.5
211.02545	1.9
213.14980	31.7
221.11946	3.8
225.07574	2.8
253.18108	2.9
271.04712	1.7
284.06989	4.4
299.09323	18.6
301.10971	2.0
326.08249	1.6
327.08777	8.9
328.09225	2.0
357.09772	41.8
358.10281	2.0
369.15723	1.5
372.12140	17.9
373.12790	1.6
387.14523	80.5
388.14795	9.2
403.24982	3.8
421.25464	2.5
421.30057	4.1
499.88632	1.3
534.48370	1.3
547.25928	1.4
565.30591	2.8
583.28601	27.0
584.29523	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	583.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01382	3.3
61.98531	0.8
61.98836	13.1
66.92820	0.4
69.40370	3.6
71.01366	2.1
71.23652	0.5
73.02938	0.9
75.00868	2.4
78.95844	0.4
79.95726	0.6
83.01375	0.7
85.02963	0.7
86.08069	0.5
87.00833	0.4
89.02431	0.9
96.96032	4.7
96.96965	0.5
97.02920	0.7
98.20562	0.9
101.02441	1.0
105.90270	0.5
107.01395	1.3
107.04961	0.5
110.84826	0.4
113.02457	0.8
123.00876	2.1
123.04525	1.1
124.01672	0.8
125.02445	9.9
126.02795	0.6
134.03740	0.8
135.04544	13.7
136.05202	0.7
137.06096	3.3
139.03984	1.3
140.01137	0.7
140.43800	0.4
148.05292	2.9
149.06058	0.9
150.06807	0.6
151.00343	1.6
151.04027	6.5
151.07635	0.7
152.04800	100.0
153.05283	2.7
153.45441	0.4
161.02455	0.6
161.05859	0.4
163.03947	0.6
163.07660	4.8
164.07967	0.5
165.05580	27.9
166.05942	1.4
169.01443	6.9
177.97948	0.5
179.07126	1.5
211.02534	1.3
229.12405	1.1
271.04611	1.6
313.05707	2.0
403.05371	0.5
406.23663	1.1
420.25162	24.7
421.25967	63.0
422.26355	5.3
576.40112	0.5
583.15082	3.3
583.31665	49.1
584.32074	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	583.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
57.03462	3.4
58.00595	1.4
59.01382	45.1
59.41616	0.8
61.98835	16.3
67.01881	1.5
69.03462	1.2
71.01385	36.5
72.99309	2.6
73.02946	7.6
77.22198	0.8
79.01929	1.2
79.95758	1.5
83.01406	4.8
84.02220	0.9
85.02950	16.5
85.03442	1.0
87.00901	3.3
89.02441	15.9
91.96875	0.9
95.01407	3.8
95.46272	1.0
96.96008	15.9
97.02973	2.3
99.00908	4.0
101.02451	25.5
101.03083	1.6
107.00700	1.1
107.01360	4.4
109.02892	1.4
111.00906	3.6
113.02445	13.1
115.07679	1.1
119.03496	5.5
121.02977	1.1
122.03773	2.2
123.00888	11.5
123.04503	1.2
124.01656	1.6
125.02453	25.0
127.00423	1.3
131.03578	1.4
133.02972	1.1
135.04549	3.1
136.98874	1.3
139.00404	3.6
139.04010	2.7
140.01178	3.3
141.01961	1.4
143.03491	1.7
143.10808	0.9
149.02489	4.1
150.03247	8.8
151.00377	8.1
151.04059	1.1
152.01099	1.1
152.03532	1.4
153.02083	1.3
159.03014	1.6
161.02521	3.0
161.04556	6.2
161.18423	0.9
163.04030	1.1
165.01942	1.8
165.05562	11.5
167.03516	0.9
168.00630	5.5
169.01434	26.8
169.02802	1.8
170.01772	1.7
179.03554	1.9
179.05620	3.0
179.07068	1.1
181.05058	2.2
182.06343	0.9
190.11336	1.1
195.06650	5.1
207.80748	1.0
209.08279	1.3
211.02469	20.2
245.04620	3.2
246.01837	1.4
247.02591	2.7
271.04593	30.5
300.99747	1.7
308.88742	0.9
313.05655	2.3
314.01224	1.1
315.25272	1.4
331.06769	9.0
357.13641	1.8
361.25101	1.4
361.29584	17.4
361.33774	1.3
362.30212	1.0
387.14517	2.1
422.00391	1.0
431.15927	1.7
431.23056	1.4
499.36526	1.1
513.20074	2.7
521.20233	16.9
522.27643	1.2
523.34845	100.0
524.35223	12.3
535.20361	2.6
583.24225	38.5
584.16431	1.3
584.24542	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	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
61.98833	44.9
66.39599	0.7
67.03040	0.8
69.45010	0.8
71.01393	3.3
72.99314	1.0
75.00877	4.0
88.98827	2.3
89.02454	1.7
91.33896	0.8
93.03459	4.9
95.01385	2.0
96.96023	3.0
101.02464	1.7
110.66913	0.9
111.01998	0.8
113.02449	2.0
119.03520	1.0
121.02985	6.5
122.03748	13.5
123.00907	3.1
123.04569	1.9
125.02449	4.8
133.02942	1.0
135.04547	1.3
136.01665	1.2
136.05305	2.7
139.00470	1.4
140.01212	1.0
145.02968	0.9
149.02451	27.1
149.06078	1.8
150.03233	95.1
151.00330	2.4
151.03641	3.0
153.05666	0.9
154.24887	0.9
157.00302	0.8
164.04823	3.6
165.05576	100.0
166.05939	4.9
168.00604	1.7
169.01405	6.8
180.04279	6.7
183.10283	1.1
195.06630	60.4
196.06972	2.4
203.14067	0.8
211.02481	1.9
240.07817	1.0
271.04666	1.8
271.09781	1.0
284.06915	3.6
286.08493	1.1
298.08646	1.4
299.09235	15.4
300.09586	1.1
323.09061	1.3
326.11636	4.6
326.22882	1.0
327.08780	5.4
328.09393	3.1
329.10416	1.6
341.13861	3.1
342.11319	2.4
357.09818	32.6
358.10284	3.3
372.12143	16.1
387.14508	72.2
388.14969	6.5
421.30322	4.2
473.15778	1.8
505.18738	2.5
521.20490	8.9
523.35107	1.3
535.19727	15.5
536.20239	2.4
583.27148	7.9
584.28174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.1
59.01393	4.3
61.98834	34.4
69.27015	6.5
71.01373	3.4
72.99328	0.6
73.02961	0.8
75.00888	5.8
85.02976	1.3
88.98834	1.1
89.02475	2.4
93.03448	3.6
95.05019	0.8
96.96037	2.2
98.20641	1.3
101.02470	1.6
107.01476	0.8
113.02479	1.0
116.92847	0.7
121.02972	8.0
122.03754	13.7
123.00883	1.4
123.04572	0.9
125.02440	5.5
133.03009	1.2
135.04636	1.1
136.01689	1.1
136.05312	1.9
149.02443	27.6
149.06064	1.6
150.03235	97.2
151.00397	1.5
151.03664	2.5
151.07735	0.8
161.04576	0.8
164.04781	3.9
165.05574	100.0
166.05914	4.3
169.01439	3.8
179.03511	1.0
180.04311	6.2
183.10274	1.1
195.06633	59.7
196.06993	1.6
208.58757	0.7
211.02475	0.8
240.07951	1.7
256.07480	1.3
270.09180	0.7
271.09689	0.7
281.08173	1.8
284.06912	4.3
285.07471	0.7
286.08362	0.9
299.09259	15.6
300.09589	0.7
301.10916	0.8
326.11465	5.1
327.08679	6.7
328.09384	2.9
329.09979	1.1
339.08588	2.1
341.13898	2.5
343.11682	0.9
357.09790	33.9
358.10193	2.0
372.12180	15.6
373.12146	1.4
387.14496	68.2
388.14987	4.9
421.30060	3.2
458.13629	1.0
473.15759	1.6
486.03952	0.7
503.17249	0.9
505.18607	1.9
521.20276	5.2
523.34436	2.0
535.19684	17.4
536.20166	2.0
538.12372	0.8
583.27252	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	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63766	0.8
57.03439	1.1
59.01397	7.7
61.98838	100.0
65.00314	1.0
68.99827	9.0
69.63198	3.6
69.63615	1.6
71.01382	7.3
73.02961	1.4
75.00861	1.0
78.95907	1.1
81.79951	0.9
83.01411	1.3
83.61455	0.9
85.02988	1.6
88.98782	1.0
89.02460	3.9
89.37829	1.0
93.03462	1.7
95.01409	1.5
95.70542	0.9
96.96017	6.3
97.02976	1.2
101.02467	5.1
107.01456	1.3
108.02192	13.8
109.02981	4.5
111.00911	1.0
113.02472	2.3
113.57380	0.9
117.03422	1.3
119.05083	1.0
121.02975	2.5
122.03769	1.5
123.00912	12.1
123.03699	1.8
123.04539	17.8
125.02444	10.5
127.08009	0.9
132.02188	2.1
133.02902	2.1
135.04520	3.5
137.02354	2.0
138.03252	21.5
139.00380	1.3
139.04022	2.0
145.02951	1.8
147.04572	1.3
149.02464	2.0
150.03253	10.8
151.00354	4.5
153.01921	1.3
153.05583	3.5
153.09277	1.1
160.01694	1.5
161.02478	7.1
161.04596	1.0
161.09871	1.2
162.03256	12.9
163.04021	6.5
164.04811	1.4
165.01796	1.0
165.05577	3.9
167.03543	1.2
168.00598	2.6
169.01428	8.6
177.01942	1.2
177.05579	22.8
178.02725	17.6
178.05942	1.2
179.03479	1.6
179.07137	1.7
193.05070	52.9
194.05554	4.2
195.06575	1.3
209.08057	0.9
209.11974	1.7
211.02495	1.3
255.06573	1.0
270.09027	1.2
271.06308	1.2
271.09763	3.1
285.11234	1.1
300.02759	1.2
313.05978	1.4
313.10355	1.3
329.10165	3.3
341.10416	3.7
343.11819	1.4
344.12555	7.0
356.12576	1.7
357.13129	1.4
359.15045	6.7
361.29483	4.5
362.22552	1.0
371.15021	3.9
421.25906	1.2
431.23071	1.3
480.62000	1.1
520.15485	2.8
521.20447	7.9
523.34625	7.6
535.19690	3.0
553.20557	1.4
583.21674	33.0
584.22461	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	583.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52023	1.2
59.01381	17.5
67.67147	1.3
70.18739	4.8
71.01399	7.8
72.99306	1.4
83.01370	1.9
85.02908	2.1
85.06581	7.4
89.02444	10.7
95.01408	1.3
96.95993	7.7
98.19902	1.4
98.59598	1.2
98.95581	3.6
101.02438	5.4
101.39669	1.2
109.02946	2.0
113.02427	3.5
113.06104	1.1
116.92838	1.8
119.03509	3.8
123.00822	1.4
125.02467	6.3
131.06206	2.2
131.07133	34.4
135.04478	2.5
137.02435	1.8
161.02460	5.7
169.01392	2.5
173.08194	1.9
175.04008	1.5
179.03494	2.9
249.04085	2.1
275.02020	2.9
289.07208	6.5
293.12415	100.0
294.12784	3.7
300.99921	6.0
503.13885	1.7
542.46075	1.1
547.58136	1.3
583.09760	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	582.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43011	0.8
59.01144	1.0
59.01374	5.2
61.52119	0.9
61.98837	10.4
62.00085	0.9
69.59193	2.2
69.59596	5.3
70.13790	0.9
71.01394	3.3
72.80222	1.0
76.27388	0.9
78.60764	0.9
85.02985	1.8
89.02473	2.1
96.96011	6.4
101.02437	1.3
107.01417	2.7
107.10963	0.9
111.00873	2.1
113.02445	1.2
121.83569	0.8
123.00893	3.2
124.01682	1.7
125.02453	24.2
127.00380	1.2
136.98857	1.1
137.02428	1.0
139.00401	1.9
140.01118	2.9
151.00330	1.6
165.01958	1.2
167.03474	1.4
168.00644	17.8
169.01430	40.2
170.01854	1.3
182.02133	0.9
183.02972	1.0
197.04663	2.1
211.02487	76.1
212.02792	3.2
241.03564	2.0
271.04593	100.0
272.04956	5.5
275.02139	1.3
285.54260	0.9
331.06717	20.3
342.68405	0.9
397.32977	1.0
519.18732	68.6
520.19281	6.6
583.22662	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	582.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49698	0.3
57.03461	0.5
59.01396	3.1
61.98838	100.0
65.95570	0.4
69.03456	0.5
71.01385	2.8
71.62169	0.5
72.99317	0.5
73.02982	0.4
79.01910	0.7
83.01414	0.5
85.02970	1.1
87.00921	0.4
87.04546	0.4
89.02481	1.3
93.91161	0.4
95.01428	0.9
96.96032	1.1
97.02953	0.5
101.02460	1.5
106.39005	0.3
107.01398	2.6
111.00892	0.8
113.02496	1.1
119.05060	0.4
123.00903	5.2
125.02460	10.6
126.02823	0.7
135.04518	0.8
136.98804	0.6
137.02475	0.6
138.02075	0.4
139.00406	2.3
139.04018	0.5
140.01166	1.4
147.08159	0.4
151.00385	2.5
152.00769	0.4
161.04559	0.4
161.09758	0.4
165.05566	0.6
167.03581	0.6
168.00650	2.6
169.01440	18.5
170.01834	1.4
177.12825	0.5
179.03404	0.4
181.01448	0.5
187.11348	0.7
193.05176	1.5
194.05499	0.7
205.12321	1.5
211.02507	4.8
271.04669	3.3
274.01227	0.4
275.02029	0.4
297.06335	0.6
313.05618	2.0
319.79886	0.4
327.74728	0.4
519.18726	27.8
520.18927	3.5
521.33374	0.5
522.33643	0.5
523.34943	0.5
582.22626	7.2
583.23639	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	581.3121
Annotation	5-Oxoavermectin ''1a'' aglycone
Peak:m/z	Relative Intensity
60.11050	0.9
66.17953	0.8
69.44635	0.9
69.52640	6.5
75.06600	0.8
79.04454	0.9
97.02919	1.5
104.74837	0.8
123.00885	3.3
123.04509	2.1
124.01682	1.3
125.02396	1.2
133.06580	1.8
138.03227	3.5
139.03955	4.0
149.06119	1.7
151.04027	5.2
159.04585	1.0
166.02684	1.2
173.51346	0.9
177.01898	1.2
177.05571	5.1
180.04332	1.1
191.03560	1.5
193.05029	1.6
203.03481	2.1
215.07190	1.9
231.06586	1.3
273.18332	1.3
274.75226	0.9
303.23401	1.2
371.22321	8.5
383.22330	10.4
384.22949	1.1
409.23807	18.0
410.24164	2.1
517.26044	3.1
519.24017	2.6
533.25580	12.7
534.25763	2.0
537.28619	7.0
547.26886	1.0
563.30164	100.0
564.30469	16.2
581.31213	46.0
582.31744	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	582.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29292	0.8
59.01381	6.6
60.01702	1.0
61.98835	8.7
69.68581	5.6
71.01376	3.1
85.02953	1.0
89.02444	2.8
96.96000	4.2
101.02466	1.7
102.27098	0.7
102.61166	0.8
107.01385	3.6
111.00864	2.3
113.02421	1.1
119.03442	1.0
123.00892	4.0
124.01704	2.0
125.02457	21.4
136.98854	1.9
139.00362	3.3
140.01151	2.5
151.00371	1.4
167.03444	1.2
168.00662	16.9
169.01431	37.2
193.01315	1.0
197.04567	2.0
211.02492	69.4
212.02869	2.8
240.46611	0.9
241.03604	1.4
271.04605	100.0
272.04871	4.2
274.01178	1.1
275.01974	1.8
331.06729	22.5
332.06836	1.2
519.18732	63.4
520.19092	7.2
583.10718	1.1
583.23114	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	581.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65666	0.6
59.01365	0.7
63.96220	1.1
69.03459	0.5
71.01402	5.3
71.38346	1.0
73.02950	2.1
77.22003	0.5
78.98598	5.0
79.95322	0.8
79.95747	7.9
80.96526	57.7
81.03499	0.6
85.02966	2.1
87.00889	2.4
94.98102	14.1
95.01371	0.7
96.96016	1.1
97.02951	0.8
99.00879	1.1
101.02444	2.7
104.04060	0.5
106.98085	2.2
122.97597	5.6
125.02449	2.6
127.04018	1.0
134.97630	4.1
136.99139	1.4
148.99149	5.9
152.98657	7.9
162.83968	0.5
164.98651	10.8
182.99760	2.6
206.99718	2.5
213.81068	0.6
225.00772	16.4
243.01761	1.3
281.24811	3.8
299.04410	2.7
385.23886	0.7
463.13394	0.8
475.13477	1.1
519.15894	1.4
581.30023	100.0
582.30341	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98838	3.9
69.39664	4.9
71.01405	1.5
88.98826	1.7
96.96017	0.8
101.02419	0.6
116.92867	5.2
121.02983	2.0
125.02450	1.0
134.03757	0.7
135.04594	0.8
149.02428	1.6
150.03268	2.0
165.01894	0.8
165.05623	2.2
169.01442	1.6
175.04025	0.9
191.03441	0.6
193.05113	1.1
195.06700	1.5
205.08659	1.0
223.06235	2.1
249.04138	0.8
255.10371	1.0
269.08203	9.4
275.02075	1.7
281.08188	1.6
283.09875	3.1
296.10718	0.8
298.12378	0.9
299.09222	5.5
300.09698	0.9
311.09198	9.5
311.12613	0.9
314.11618	13.1
315.12085	0.9
325.10919	1.3
326.11514	8.9
329.13937	53.8
330.14236	4.6
341.13922	30.2
342.14444	2.2
389.16373	2.2
581.13898	0.9
581.22766	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68957	4.2
54.23736	3.9
58.00596	5.0
59.01386	100.0
61.98843	31.4
71.01389	72.0
71.15418	4.1
71.61783	7.6
72.99313	6.5
78.45780	4.6
83.01399	6.6
85.02951	12.7
87.00855	4.7
89.02454	95.4
95.01373	7.1
96.96017	30.7
97.02937	6.0
101.02441	29.3
113.02459	24.2
117.05585	5.2
119.03510	43.7
121.02843	4.1
123.00891	7.9
123.04541	5.9
125.02462	27.1
126.96295	4.1
127.99386	4.3
131.03510	5.0
143.03546	5.6
151.00383	6.0
161.04575	6.1
166.83711	4.8
167.03487	5.5
169.01389	27.6
173.76910	5.1
175.03911	5.7
179.05629	23.2
187.05124	4.5
192.59828	4.2
211.02449	9.1
229.96941	4.3
243.09579	4.5
255.10289	5.8
271.04617	16.1
273.54398	4.6
283.09793	23.9
287.14035	9.7
298.11984	4.5
300.02771	6.3
301.03284	6.5
302.03311	6.1
311.09225	57.8
312.09683	6.3
325.11127	7.0
326.11563	35.2
341.13925	54.9
342.14063	6.0
375.13266	4.6
581.13403	9.3
581.22784	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
51.04783	1.3
55.01880	1.7
56.84594	1.2
59.01094	2.2
59.01384	37.2
61.98824	1.4
70.00037	2.7
70.00435	3.5
71.01390	25.1
72.99316	1.8
73.02943	4.4
83.01405	4.6
85.02963	7.5
86.00101	2.2
87.00871	2.7
89.02458	14.3
95.01402	3.8
99.00892	2.5
101.02461	18.7
113.02453	7.9
115.04007	1.6
119.03529	9.0
123.00877	8.3
124.01672	3.7
125.02452	2.6
138.03236	18.3
139.03958	4.2
150.03230	2.7
151.00377	1.8
153.05595	13.7
165.05537	2.5
175.04196	1.3
178.99896	1.6
179.06985	1.5
187.04004	3.6
188.04752	2.1
195.06636	1.7
202.06325	3.8
203.07161	4.8
207.06888	1.3
221.08046	3.4
223.06128	4.7
233.08174	11.0
271.02429	5.9
287.02008	2.3
313.07312	2.0
316.02200	10.5
317.02939	1.4
325.07156	1.6
326.07922	2.0
327.08597	1.7
341.10162	3.2
343.08127	1.7
343.11703	1.5
343.24341	1.5
344.08984	2.0
355.11728	4.9
356.08994	1.6
358.10501	4.1
359.11353	11.9
365.86890	1.5
371.11230	7.2
373.12921	14.1
386.13623	3.2
389.12357	5.9
401.16141	6.1
404.14810	6.3
405.15543	3.2
419.17194	37.7
420.17365	2.3
566.20056	6.0
581.12146	9.0
581.22388	100.0
582.22504	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	581.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.6
58.00598	2.3
59.01387	52.1
61.98838	100.0
69.03470	2.1
71.01392	44.9
72.99311	5.0
73.02958	5.1
75.00861	2.3
81.03473	1.8
83.01391	4.2
85.02953	8.0
87.00880	5.0
88.98828	4.8
89.02455	46.6
93.03473	30.8
94.03823	1.6
95.01414	3.6
96.96014	8.3
97.02940	3.4
99.00862	1.7
101.02454	18.1
102.24294	1.6
107.01406	4.9
107.05011	3.6
108.02229	1.7
111.00876	4.4
113.02475	12.3
117.03465	1.5
119.03510	5.9
119.04994	2.6
121.02973	54.7
123.00874	7.8
123.04544	2.4
125.02464	44.0
131.03506	10.5
135.04514	3.7
137.02464	29.9
139.00401	3.6
139.03952	2.0
140.01222	2.6
143.03519	2.3
145.03021	6.9
148.87225	1.4
149.02525	2.0
149.04564	12.3
150.03230	11.5
151.00380	5.9
151.03978	3.4
153.01997	1.8
161.02504	2.5
161.04565	2.9
161.09750	1.7
163.03896	3.2
165.05595	18.5
167.03510	1.5
168.00670	4.7
169.01443	53.8
179.03531	3.0
179.10806	2.8
191.05679	3.7
193.04956	1.8
195.06636	6.6
197.06116	3.6
211.02470	5.0
223.13431	6.7
227.07169	23.5
233.06667	1.9
267.12405	4.0
271.04575	3.2
273.11322	3.8
283.06195	2.3
293.08829	18.2
307.08246	4.9
309.09946	1.8
313.05746	4.5
323.05444	2.1
331.06650	4.8
359.28021	6.0
369.15707	3.4
413.10870	12.6
415.12512	4.0
419.33722	1.5
429.17767	9.7
519.18665	18.4
520.32117	2.3
521.33344	40.7
522.33380	3.1
529.17700	1.6
581.22150	18.4
581.32440	8.5
582.22504	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	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.8
59.01385	42.1
61.98846	2.6
67.01917	1.5
69.03472	2.5
71.01391	16.0
71.01769	1.0
71.60934	1.1
72.99318	1.4
73.02963	3.8
79.01921	2.3
81.03497	0.9
83.01396	4.1
83.05040	1.9
85.02958	5.0
87.00913	3.1
89.02451	9.0
93.03485	1.2
95.01420	2.8
96.96011	7.1
97.03004	2.1
97.06593	1.0
99.00896	1.9
101.02450	10.4
103.14348	0.7
106.64738	0.8
107.01388	11.1
107.05050	1.8
111.00900	2.1
111.30376	0.8
113.02477	5.9
113.06151	0.7
117.03459	0.9
119.03545	2.0
123.00898	16.9
123.01736	1.2
123.04555	1.0
123.46654	0.6
124.01721	1.5
125.02457	71.0
126.02793	1.2
129.36122	0.7
131.03502	2.9
135.04547	2.9
137.02458	3.8
138.03157	0.9
139.00398	5.1
139.04018	2.2
140.01192	1.5
141.01967	2.5
143.03508	1.8
145.02945	1.4
146.34067	0.6
147.11728	0.7
147.34315	0.7
149.02415	0.8
149.04604	1.6
151.00386	11.7
151.04118	1.1
153.01936	1.0
153.05586	0.9
159.11812	0.9
161.02420	0.7
161.04568	2.2
161.09734	4.9
161.13327	3.5
163.11325	1.3
165.02054	0.9
165.05574	1.4
167.03419	1.0
168.00671	4.3
169.01439	100.0
170.01767	3.1
175.84888	0.7
179.03352	0.8
179.05667	0.9
183.03041	1.0
185.13367	1.7
187.11320	8.2
189.09236	3.7
193.01390	1.4
203.10791	1.5
205.12354	4.6
207.10258	1.6
211.02501	7.1
223.13409	20.2
224.13733	1.2
229.12334	2.3
230.12767	0.7
231.10248	1.0
247.13397	1.3
249.11246	3.0
267.09589	1.2
267.12381	15.5
271.04584	3.1
288.37769	0.9
301.00055	1.1
309.13492	2.2
313.05832	4.4
331.06607	3.2
331.10025	0.8
339.14462	6.6
340.14108	0.9
359.27969	2.0
362.87915	0.8
369.15549	20.3
370.15955	1.9
373.07721	2.6
389.21652	2.6
411.16449	2.6
419.13245	1.6
429.17648	40.5
430.18094	3.7
463.29050	0.9
513.78259	0.9
519.18781	3.6
521.16522	5.0
521.25732	11.4
521.33252	9.8
537.19525	5.1
563.18207	2.7
581.18604	77.7
581.35303	6.3
582.19006	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	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.7
57.03444	2.6
58.00602	1.2
59.01384	29.0
61.98832	100.0
64.64937	0.6
69.03449	1.8
69.56556	4.2
71.01389	9.8
71.05004	0.6
72.99310	1.9
73.02950	3.3
75.00886	0.7
79.63689	0.6
79.95733	0.7
81.03471	0.8
83.01395	2.7
83.05025	0.6
85.02962	5.9
85.14471	0.5
87.00871	3.4
88.98813	1.3
89.02430	5.6
93.03455	0.7
95.01382	2.3
96.96006	3.8
97.02944	1.2
97.06605	1.0
98.19944	1.3
99.04490	1.1
101.02448	8.7
101.06052	1.5
107.01402	5.3
107.05025	1.4
109.03019	0.6
111.00858	1.7
113.02444	4.9
116.92827	2.5
117.03447	1.3
119.03484	2.1
119.05024	0.9
121.02945	0.9
123.00903	7.9
123.04440	0.8
124.01699	1.4
125.02453	49.9
126.02728	1.1
133.02895	1.9
134.03697	1.6
135.04495	1.0
136.54961	0.6
137.02443	3.8
138.03194	0.8
139.00418	3.3
139.03952	2.1
140.01047	1.0
141.01927	0.8
145.02972	4.8
149.02390	1.5
150.03235	4.4
151.00447	4.4
151.03940	0.7
153.01860	0.6
153.05533	1.6
154.02640	1.8
155.03485	0.6
159.08125	1.3
159.11700	0.8
161.02452	4.6
161.04485	1.7
161.09724	3.1
161.13309	1.6
162.03162	1.0
163.03944	1.3
165.04381	0.6
165.05580	7.8
168.00571	2.4
169.01433	63.4
169.04976	2.3
170.01698	1.7
177.05588	0.9
179.10677	2.3
184.70129	0.6
185.13422	0.8
187.09772	0.7
187.11295	5.5
189.09235	2.9
193.01343	1.2
193.05058	36.0
194.05298	1.3
195.06494	2.8
195.12544	0.6
203.10612	2.1
205.12152	2.6
207.10216	1.5
211.02458	3.1
213.07448	0.7
223.11319	0.9
223.13370	13.2
229.12213	0.8
249.11201	1.8
267.12381	9.1
271.04431	2.5
277.10489	0.6
307.08020	1.4
309.13229	1.1
313.05649	3.7
331.06354	1.5
339.14569	3.3
350.12344	0.6
359.27756	1.5
369.15533	14.0
370.15588	1.2
373.29218	0.9
387.03351	2.2
401.28668	1.5
411.16373	1.4
419.12872	1.6
419.29510	0.9
429.17624	29.7
430.17468	2.5
489.21490	0.8
501.13419	1.9
519.18121	1.9
520.31122	1.2
521.15814	1.5
521.25629	1.6
521.32361	8.4
537.19446	1.3
554.31934	0.6
563.33795	1.4
581.08893	5.7
581.18152	26.8
581.35327	53.1
582.19073	2.6
582.35541	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.15772	0.4
61.98825	2.8
63.02358	0.4
65.00307	0.6
65.99290	0.5
66.04835	0.4
69.40903	1.3
69.41321	2.2
71.01378	1.3
81.59969	0.4
85.02929	0.5
87.00859	0.5
89.02483	0.8
95.01397	0.4
96.96037	1.0
101.02451	0.6
107.01381	1.3
109.02936	0.4
109.25109	0.5
111.00915	0.5
116.92905	1.2
117.05568	0.8
123.00859	1.2
124.01685	2.4
125.02422	2.4
132.75873	0.5
136.01656	0.6
137.02449	1.2
148.01648	0.7
149.02325	0.5
151.00334	3.5
152.01173	1.3
163.00331	0.9
164.01176	2.0
165.05612	0.5
169.01440	3.3
178.99876	5.4
201.02095	0.5
203.03510	1.0
204.04190	0.9
211.02393	1.0
214.02710	7.6
215.03276	1.0
227.03581	0.6
231.02881	0.5
232.03784	0.6
241.05093	1.4
242.02208	5.3
243.03050	2.8
248.03374	0.4
249.03786	0.5
256.07376	1.4
259.02518	6.4
270.01730	5.9
271.02454	37.3
271.09647	2.4
272.02814	2.2
275.01941	0.7
287.01959	22.4
288.02667	2.4
300.99908	1.0
313.05753	0.6
315.01233	0.9
316.02225	100.0
317.02725	9.3
342.42987	0.5
410.30060	0.5
419.17569	0.5
429.10144	0.6
521.25769	1.3
581.11475	75.6
582.11743	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	581.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09216	0.6
50.47809	0.4
59.01386	1.9
61.98833	4.3
65.00327	0.7
66.59455	0.4
67.33855	0.4
69.34827	4.1
71.01387	1.2
75.83186	0.4
83.01412	0.6
83.67906	0.4
85.02981	0.6
85.31790	0.4
87.00910	0.6
89.02467	1.3
96.96017	1.8
101.02472	0.7
107.01406	1.2
109.02925	0.6
113.02454	0.5
116.92862	3.5
117.05563	1.1
118.59653	0.4
121.02979	0.4
123.00903	1.3
124.01688	2.3
125.02460	3.5
135.00806	0.5
136.01610	0.6
137.02444	1.2
151.00406	3.8
152.01135	0.8
163.00407	1.1
164.01190	1.5
165.05621	0.5
169.01407	2.5
172.52271	0.4
178.99870	6.6
179.05661	0.4
189.01904	0.4
190.99879	0.6
191.03616	0.5
193.01439	1.0
203.03479	1.3
214.02684	6.3
215.03334	0.7
227.03586	0.9
231.03038	0.8
232.03668	0.6
241.05003	1.0
242.02242	5.4
243.02890	3.5
244.03650	0.4
249.03941	0.9
256.07401	1.0
259.02496	6.8
260.02921	0.5
270.01724	6.2
271.02481	37.0
271.09439	2.5
272.02835	2.6
275.01917	1.0
287.02005	21.9
288.02655	2.2
299.01898	0.5
300.99945	1.0
315.01462	1.1
316.02252	100.0
317.02765	8.8
352.22174	0.5
371.15018	0.7
419.10727	0.6
427.88501	0.4
429.10272	0.5
465.06769	0.9
518.19556	0.7
521.26355	0.9
550.06372	0.5
581.11517	69.7
581.20819	3.2
582.11835	7.9
582.21545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57814	0.5
54.19144	0.5
56.03525	0.5
57.03455	0.5
61.98813	0.8
63.96245	0.8
69.03453	0.6
71.01392	5.4
71.61661	0.6
73.02944	1.4
78.98594	4.7
79.95747	9.1
80.96522	53.3
81.03429	0.6
85.02964	2.4
87.00874	2.5
94.98099	12.7
96.96014	1.2
97.02946	1.6
101.02436	1.8
106.98086	2.6
122.97580	3.7
125.02420	3.3
127.04026	0.6
131.06818	0.5
134.97614	3.8
136.99171	1.1
146.97595	0.5
148.99161	5.4
152.98634	6.2
153.05681	0.8
164.98651	9.3
167.00174	0.7
182.99654	2.0
206.99702	3.1
219.36708	0.5
225.00748	15.0
225.02950	0.8
243.01796	1.4
279.23257	2.2
281.24713	0.7
299.04376	2.0
579.28455	100.0
580.28766	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	580.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59290	0.2
57.43956	0.2
59.01378	0.2
61.98834	100.0
62.98527	0.2
68.87302	0.2
71.01399	0.4
73.51942	0.2
74.95171	0.2
89.02456	0.2
93.74552	0.2
104.27657	0.2
131.03549	0.3
132.62109	0.2
137.32658	0.2
139.52750	0.2
142.75778	0.2
149.04544	0.3
238.65759	0.2
253.97498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06199	0.3
57.03446	1.0
58.00592	0.3
59.01383	5.5
61.98833	6.1
69.03460	0.4
69.81432	1.2
71.01391	4.1
71.05005	0.3
72.99310	0.8
73.02938	1.2
75.00880	0.7
79.95752	1.0
80.96501	0.3
81.03449	0.3
83.01392	1.2
85.02961	2.0
87.00875	1.1
88.98815	0.4
89.02451	2.1
93.03520	0.4
95.01414	0.5
96.96020	12.0
97.03017	0.3
99.00909	0.6
101.02463	2.9
107.01390	0.9
109.02977	0.5
110.97607	0.7
111.00877	0.7
113.02469	1.6
117.03473	1.3
119.03522	0.7
119.05044	2.7
121.02944	0.8
123.00903	1.9
123.04458	0.3
124.01737	0.3
125.02461	10.0
133.02951	4.0
134.03761	4.5
135.04555	2.7
137.02460	10.4
139.00375	1.0
139.04021	2.0
140.01161	0.9
145.01854	0.5
145.02972	8.7
149.02406	0.3
150.03256	0.8
151.00381	1.3
151.04007	0.5
153.05539	0.4
153.99141	0.4
161.01103	0.5
161.02461	10.1
161.04514	0.5
163.04048	2.3
165.01933	1.4
165.05513	0.5
167.03566	0.5
168.00620	1.0
169.01450	9.0
170.01805	0.3
177.01944	0.4
177.04070	0.4
178.02736	1.5
179.10808	0.5
180.04306	1.5
192.04314	0.6
193.05077	100.0
194.05385	3.3
195.06673	1.1
211.02473	1.2
213.07695	0.8
241.00319	1.1
247.82245	0.3
271.04498	1.5
273.07739	0.4
273.89526	0.3
307.08200	3.3
313.05621	0.7
331.06677	0.5
355.10376	4.1
359.27917	0.6
373.29620	0.4
387.03915	7.4
387.08844	0.4
388.04163	0.3
401.28976	0.6
419.11841	0.8
419.30197	0.4
443.13528	0.9
483.18823	0.8
501.14081	19.3
502.14453	1.8
520.32251	0.6
521.26190	1.1
521.33386	3.2
537.23364	0.9
563.21350	0.5
563.34686	0.6
581.09686	5.5
581.22479	6.9
581.35602	12.4
582.09808	0.5
582.23096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79175	0.5
60.40237	0.5
65.00377	0.5
69.84303	0.5
87.75655	0.6
108.02195	0.7
118.99046	0.5
148.01657	0.9
151.00386	2.6
164.01141	0.7
178.99829	3.3
226.02682	0.9
227.03568	2.0
243.02983	5.2
254.02159	1.2
255.02977	16.5
256.03430	1.4
267.15494	0.5
271.02493	35.3
272.03061	3.1
299.01974	1.2
300.02768	100.0
301.03238	9.5
501.94284	0.6
579.13580	71.3
580.13965	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	579.1515
Annotation	leufolin B
Peak:m/z	Relative Intensity
50.87524	0.3
57.03444	0.8
59.01389	8.9
61.98837	26.0
63.02411	1.7
65.00331	6.8
69.44245	2.8
71.01383	3.0
72.99322	1.9
73.02952	1.2
73.60308	0.4
75.00862	1.7
77.81718	0.4
79.98287	0.4
81.03488	0.4
83.01385	5.4
83.97534	0.3
85.02963	1.2
89.02448	1.5
91.01896	0.4
93.03468	5.5
95.01379	0.7
96.96024	4.1
98.19893	0.6
99.00898	0.4
101.02450	1.7
105.49953	0.4
107.00698	0.8
107.01400	13.3
109.02934	0.6
113.02439	1.2
117.03470	3.3
119.05038	32.3
120.05381	1.2
121.02968	0.8
123.00901	0.8
123.04548	1.0
125.02467	6.2
125.44800	0.3
131.01387	0.7
133.02914	0.7
135.00859	0.5
135.04552	0.5
137.02449	0.9
139.00381	0.4
139.04044	0.6
141.67561	0.4
143.05046	0.9
145.02969	13.4
146.03296	0.6
149.02464	0.9
151.00383	44.5
152.00656	1.2
153.01979	0.8
161.02423	0.5
161.04649	0.8
161.06088	2.3
163.04048	1.8
165.01962	2.8
166.26474	0.4
167.03511	1.9
169.01462	3.0
175.00397	4.0
177.01949	4.9
179.03534	0.8
179.10793	0.8
185.06078	1.8
187.04016	2.0
193.01410	1.3
203.07095	0.4
205.04996	1.1
209.08151	0.4
211.02444	0.4
227.07147	2.2
229.05197	0.5
265.07199	2.1
271.06134	100.0
272.06473	5.7
285.07486	0.4
295.06195	2.9
300.02930	2.0
307.08252	13.4
308.08627	1.2
313.07080	2.0
357.26389	2.2
372.05734	0.4
433.11514	0.7
506.05820	0.4
516.25189	0.7
519.31812	1.7
579.14569	8.8
579.24023	1.4
579.27789	1.1
579.35474	0.9
580.15320	1.0
580.24054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.6
60.01702	0.5
61.98833	100.0
69.49378	2.4
71.01391	1.2
85.02937	0.3
89.02444	0.6
96.96011	1.2
101.02461	0.8
117.03475	0.6
119.05029	0.9
125.02470	0.7
139.04073	0.3
145.02957	0.9
151.00415	0.5
159.69916	0.3
163.04036	0.8
169.01445	0.5
271.06259	1.3
275.75403	0.4
276.89951	0.4
341.23117	0.5
342.23834	0.4
515.25159	1.4
518.31836	0.6
579.24933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15621	0.5
59.01094	1.0
59.01383	20.5
61.07224	0.6
61.98818	1.6
63.29333	0.5
64.08633	0.5
64.65717	0.5
69.36979	0.5
78.95908	22.5
80.96527	1.8
96.96926	0.8
106.25950	0.5
124.35004	0.5
125.02482	0.6
152.99615	3.0
168.04274	2.6
169.04443	0.6
193.05052	0.5
194.02513	0.6
224.06981	8.3
242.07933	1.9
261.22565	0.8
279.23288	100.0
280.23547	5.5
300.18280	0.6
429.22733	0.8
504.30988	60.8
505.31256	7.1
546.03448	0.6
578.27576	2.7
579.29456	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.1
61.98827	0.6
69.82905	2.0
71.01388	1.6
77.55333	0.4
78.95910	6.3
78.98575	0.9
79.95747	2.1
80.96521	12.8
82.96116	0.8
85.02985	0.7
87.00871	0.5
94.98094	2.5
98.20631	0.5
101.02438	0.6
106.98100	0.6
122.97591	0.8
125.02444	0.7
134.97649	0.6
148.99138	1.0
152.98581	1.2
152.99655	0.8
164.98599	2.0
167.92090	0.4
168.04276	1.2
170.17426	0.4
224.06902	0.7
225.00812	2.3
226.00989	0.9
242.08000	2.3
243.01897	0.5
279.23291	100.0
280.23636	7.3
504.31003	30.7
505.31271	3.0
578.27234	21.3
579.27026	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	579.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77042	0.1
58.44530	0.1
62.20918	0.1
64.65079	0.1
71.01376	0.2
71.59356	0.2
74.38377	0.1
75.40154	0.1
79.95738	3.5
79.96188	0.2
93.64560	0.1
96.96015	100.0
97.95940	0.2
132.15579	0.1
167.98224	0.1
169.70511	0.1
175.03929	0.1
185.02426	0.1
187.10915	0.1
201.01993	0.2
203.03462	0.2
229.01361	0.5
231.03009	0.2
257.00916	0.4
258.01456	0.2
275.01984	2.2
300.99875	5.4
301.03308	0.3
302.00415	0.2
390.85376	0.1
421.04407	0.1
481.06229	7.2
482.06564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72451	0.6
57.09895	0.6
59.01381	7.7
59.08758	0.7
61.42973	0.7
61.98824	0.9
63.96218	1.2
69.67495	0.6
70.17803	2.2
71.01386	8.1
72.40716	0.5
73.02945	1.6
78.10721	0.5
78.95884	2.3
78.98606	5.7
79.95745	9.3
80.96521	68.4
81.03448	1.1
84.10425	0.6
85.02946	2.6
87.00865	2.3
94.98090	15.6
95.01382	0.8
96.96025	0.7
97.02934	1.6
99.00867	1.0
101.02475	1.5
102.34842	0.5
106.98100	2.9
121.02956	0.8
122.97618	4.4
122.98431	1.1
125.02445	3.8
127.04011	0.9
134.97621	4.5
136.99170	1.4
148.99152	5.3
152.98618	6.9
152.99698	0.9
164.97322	0.8
164.98636	11.3
165.99017	0.8
168.04318	0.8
182.99677	2.2
206.99716	2.2
224.06909	0.7
224.98602	1.1
225.00755	14.8
242.07979	1.5
243.01773	0.8
246.41542	0.6
277.21671	2.9
279.23300	44.4
299.04459	2.4
450.74594	0.7
504.30945	13.7
577.26886	100.0
578.27222	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	577.3538
Annotation	Hugonone B
Peak:m/z	Relative Intensity
62.49236	1.0
71.07127	2.1
81.23689	0.8
109.06604	1.3
111.04486	2.4
123.00880	0.9
123.04520	1.7
151.04021	4.1
152.01158	0.9
152.04799	3.8
153.05598	4.5
159.69179	0.9
165.01949	1.2
166.06328	0.9
179.03494	11.4
179.07155	1.3
180.04295	20.4
191.47917	1.0
193.05109	2.1
194.05878	4.9
198.05974	0.9
207.06700	10.2
212.03209	1.5
221.08209	2.0
235.09627	1.4
249.11403	1.2
263.12854	3.8
313.21689	1.2
317.17651	1.6
343.18988	1.0
357.20749	8.9
371.22101	1.9
413.26895	2.1
414.27725	5.8
415.28519	13.7
441.26840	1.1
555.21210	1.0
577.35321	100.0
578.35559	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	577.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	7.4
58.00585	3.6
59.01093	6.2
59.01382	100.0
61.98835	70.1
69.03457	4.1
71.00989	4.9
71.01384	76.8
72.99303	6.1
73.02936	11.5
75.00877	11.6
83.01376	7.0
85.02959	23.1
87.00887	9.9
88.98814	5.2
89.02448	75.0
93.03463	4.8
95.01385	7.5
96.96007	16.8
97.02927	4.7
99.00887	4.1
99.04544	3.8
101.02460	47.8
107.01383	4.0
112.44945	3.2
113.02461	30.9
119.03512	44.3
119.04981	4.4
121.02948	3.5
123.00869	5.9
123.45240	3.0
125.02456	51.4
126.02840	3.6
131.03513	8.0
135.04497	7.1
143.03470	13.2
149.06212	3.0
151.00342	8.8
154.72423	3.4
161.04555	13.0
161.09718	3.7
163.04019	50.1
169.01443	19.4
178.06363	38.3
179.03537	2.9
179.05576	21.1
187.11269	3.6
193.08685	23.6
193.55296	3.0
211.02432	7.5
221.06598	22.4
245.06602	3.9
255.02940	7.8
263.07690	6.7
271.02203	7.4
271.04584	10.3
274.01184	5.5
277.76474	3.1
289.07327	3.3
300.02676	17.0
300.99753	6.1
301.03403	9.0
314.00491	3.4
323.09857	45.2
327.13120	6.4
331.06882	3.7
349.44083	3.1
355.09818	3.3
463.08752	20.5
539.21222	25.1
577.25122	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	577.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.8
58.00594	4.1
59.01382	86.3
61.98842	5.8
66.72646	2.9
71.01392	66.5
72.99318	5.4
73.02957	17.3
83.01403	6.4
85.02958	8.1
86.00092	3.4
86.26572	3.2
87.00871	12.6
87.04532	3.0
89.02448	100.0
90.93537	3.2
92.89631	2.9
96.96001	17.4
97.02917	3.5
98.20752	6.6
99.00878	3.7
101.02456	55.1
102.01176	3.2
109.02959	5.3
111.00896	5.0
113.02418	10.0
117.05586	6.5
119.03477	9.2
123.00885	10.3
125.02478	23.8
126.90434	4.4
131.03508	39.8
135.04541	3.4
137.02498	3.3
139.03954	3.7
143.03481	3.4
149.04555	96.1
151.00377	6.4
155.87978	2.9
161.02487	4.6
169.01430	24.3
177.02138	3.8
179.10860	4.6
187.11209	3.4
190.02650	4.0
191.05640	18.4
205.12366	6.8
218.02174	3.1
223.13354	3.0
229.54335	3.0
245.00870	2.8
251.07753	5.6
257.00809	3.0
270.98764	3.6
271.04706	4.9
273.00336	5.9
274.01227	7.2
275.01962	18.7
293.08859	3.4
298.98312	3.8
299.99106	21.8
300.99960	30.5
311.09839	7.1
397.05573	7.5
480.05524	37.2
489.34296	5.8
517.23029	27.6
539.21497	12.0
541.21985	4.0
577.13110	9.9
577.24554	12.3
577.32703	3.5
586.63391	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99760	1.0
57.03450	13.7
61.61293	0.9
63.14069	1.0
66.42371	0.8
77.54348	1.0
80.44886	1.0
81.03477	1.4
82.30537	0.9
83.01389	5.2
91.58910	0.9
93.03458	2.2
95.05034	1.6
96.63007	0.8
97.02955	3.8
99.04529	0.9
107.05054	2.1
108.02184	1.2
109.02959	19.9
121.02938	2.8
122.03755	1.7
123.04539	13.3
125.02457	100.0
126.02776	2.4
133.02960	4.5
135.04506	2.4
137.02458	18.2
139.03996	2.6
145.02823	1.2
149.02458	5.4
151.04015	12.5
159.04527	2.3
161.02448	25.0
161.03737	2.0
161.06064	3.4
162.03099	2.0
163.00307	2.7
163.04025	3.4
164.01161	3.9
165.01942	6.2
165.05734	1.1
167.03505	1.0
169.01471	1.4
173.06049	2.0
175.04037	9.3
175.07593	1.3
177.01961	5.5
177.05597	1.6
178.02666	0.9
179.03502	4.0
187.03993	8.4
188.04718	2.2
189.05492	1.3
199.03964	1.1
201.05537	2.2
202.06409	1.9
203.03564	1.9
203.07153	10.4
205.01457	2.2
205.05075	8.2
211.04016	2.1
213.05620	1.7
215.03407	2.2
217.05159	1.3
221.08273	1.2
227.03557	2.3
227.07204	2.1
229.05035	3.2
231.03026	1.8
243.03008	3.1
245.04611	5.7
245.08163	12.7
247.06099	1.3
255.03018	8.9
255.06729	1.1
256.03815	4.5
257.04355	1.5
269.04532	1.8
271.06415	1.6
273.04135	4.8
281.04523	3.6
283.02545	1.9
285.04141	1.9
287.05649	9.4
289.07205	63.0
290.07504	3.8
297.03989	2.1
299.05609	6.1
339.08694	2.8
381.09894	2.8
407.07718	64.6
408.07849	5.6
425.08798	22.4
426.08939	2.8
451.10379	12.1
463.70584	1.0
545.97070	1.0
559.12158	1.4
577.13788	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	15.0
59.01382	6.0
69.03472	1.2
69.56124	2.8
69.56551	2.9
71.01373	3.4
81.03452	2.1
83.01382	3.9
85.02934	1.0
89.02466	5.3
93.03469	1.0
95.01370	1.1
95.05020	1.3
96.96034	5.3
97.02948	3.2
101.02444	3.1
107.05057	1.2
109.02957	15.5
121.02943	2.4
123.04533	10.5
125.02452	100.0
126.02804	1.7
126.36690	0.8
131.03526	2.2
133.02968	3.2
135.04546	1.9
137.02452	22.0
139.03993	2.4
146.03676	1.0
149.02434	3.7
149.04539	5.2
150.03123	1.0
151.03998	9.5
159.04527	2.2
160.05258	1.1
161.02452	20.9
161.06088	2.9
162.03233	2.1
163.03983	2.6
164.01158	4.2
165.01904	3.8
167.03462	1.3
175.04012	7.3
175.07616	1.0
177.01917	3.9
177.05579	1.4
179.03493	3.7
185.06104	0.8
187.04007	6.0
188.04797	2.4
191.03508	1.0
191.05466	1.1
192.12338	0.9
201.05530	1.3
202.06294	1.2
203.03511	1.3
203.07108	7.0
205.01552	1.0
205.05081	6.0
215.03427	1.1
217.05034	1.4
221.08205	2.3
227.07198	1.3
229.05048	2.4
231.02940	1.8
243.02911	1.2
245.04527	2.8
245.08224	9.0
246.08868	1.0
247.06032	1.6
253.04852	1.0
255.03061	4.0
256.03754	3.2
257.04480	1.5
269.04611	1.8
273.04065	4.8
281.04529	1.5
283.02533	1.1
285.03906	1.2
287.05661	7.8
289.07190	59.9
290.07581	5.4
299.05646	6.0
299.99167	0.8
329.06607	1.2
339.08676	2.7
381.09634	1.9
407.07715	41.5
408.08032	3.1
425.08856	15.3
426.08832	1.9
451.10309	9.7
480.05759	1.2
577.13477	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41102	0.9
57.03452	16.1
69.31451	0.8
70.13980	1.5
70.14354	3.3
70.72076	0.9
81.03471	2.5
83.01394	3.9
93.03470	2.7
95.05027	2.3
97.02959	4.3
98.19935	1.0
107.05066	1.8
108.02195	1.6
109.02964	19.2
111.04549	1.1
119.54265	0.8
121.02962	3.7
122.03718	1.6
123.04539	14.6
125.02453	100.0
126.02802	1.2
133.02945	3.8
135.04509	2.8
137.02452	20.3
139.03984	4.3
145.02925	1.9
149.02426	5.5
150.03241	1.5
151.04016	12.2
159.04550	3.8
159.11180	0.9
161.02455	26.7
161.06107	3.1
162.03177	2.7
163.00401	2.5
163.03999	3.1
164.01134	4.1
165.01909	4.0
167.03497	1.8
173.06102	1.0
175.04007	8.7
175.07674	2.0
177.01915	5.1
179.03506	5.4
183.04433	1.2
187.04060	7.2
188.04741	2.4
201.05478	1.9
203.03464	1.2
203.07138	10.6
205.01344	2.3
205.05083	7.0
210.06720	0.9
212.04974	1.3
213.05490	1.3
215.03555	1.3
217.04973	1.5
219.02895	1.2
225.05338	1.0
229.05029	3.9
230.05759	1.2
243.02983	2.9
245.04593	5.5
245.08189	11.9
247.05940	1.5
255.02997	9.4
256.03680	5.5
257.04391	1.3
269.04672	1.3
273.04028	3.5
281.04510	3.7
283.02374	2.7
285.04086	2.2
287.05618	8.8
289.07187	73.0
290.07480	4.6
299.05563	6.8
329.06668	1.6
339.08679	3.3
381.09705	3.0
407.07718	63.2
408.08105	5.2
425.08844	21.5
426.09045	1.5
451.10355	10.2
452.10535	1.3
559.12451	1.6
577.13440	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	577.1349
Annotation	Procyanidin B7
Peak:m/z	Relative Intensity
57.03452	14.0
60.30067	0.9
64.85953	1.0
65.39180	1.1
69.48365	1.0
69.51237	5.3
69.51649	2.1
75.81050	1.0
81.03447	2.4
83.01388	4.5
93.03437	2.1
95.05019	2.0
96.96036	2.2
97.02955	4.2
107.04976	1.0
108.02184	0.9
109.02964	22.4
117.13084	0.9
121.02950	3.4
122.03761	2.0
123.03716	1.6
123.04543	19.4
125.02458	100.0
126.02777	2.2
133.02948	4.0
135.04530	2.9
137.02458	22.5
139.04004	3.2
147.19853	1.1
149.02464	4.7
150.03212	1.6
151.03987	13.4
159.04489	4.5
161.02461	28.3
161.06071	5.5
162.03088	3.2
163.00404	1.5
163.03986	4.1
164.01132	3.3
165.01903	4.3
167.03464	1.4
175.03996	10.5
175.07695	1.0
177.01924	4.8
177.05518	1.5
179.03505	4.7
187.04019	8.7
188.04752	3.2
199.07686	1.1
200.24658	1.2
201.05490	2.2
202.06229	1.5
203.03529	1.8
203.07117	10.9
204.07475	1.0
205.01396	2.2
205.05060	9.1
211.04134	1.3
213.05626	2.9
215.03539	1.9
217.05072	2.2
219.02966	1.1
221.08194	1.7
225.05542	1.3
227.03612	1.7
227.07150	1.9
228.04323	1.2
229.05032	3.7
235.02792	1.2
243.02992	2.7
243.06657	2.1
245.04564	5.7
245.08189	12.4
247.06058	1.3
255.02986	8.7
255.06520	1.1
256.03738	6.5
265.89819	1.1
269.04492	3.4
273.04016	4.2
281.04520	3.1
282.01691	1.3
283.02560	2.0
285.04144	2.0
287.05530	7.4
289.07205	72.6
290.07492	4.4
299.05725	5.9
329.06937	1.4
339.08630	3.9
381.09930	2.3
407.07718	62.9
407.64865	1.2
408.07803	4.9
425.08817	20.1
426.09146	2.3
440.81888	1.1
451.10397	12.6
452.10858	1.5
559.12378	1.4
577.13641	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	575.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43639	0.3
69.53168	1.3
69.53602	1.4
75.53926	0.4
79.01895	1.2
85.06593	1.1
95.01390	0.4
97.02945	0.6
102.32962	0.4
107.05050	0.8
109.06580	1.1
111.04527	1.2
123.04567	2.1
135.04532	1.4
137.02443	1.0
151.04028	3.5
152.04842	3.9
153.05592	5.8
154.05949	0.4
161.05927	0.3
163.07635	0.6
165.01921	2.2
165.05565	0.7
177.01962	0.6
179.02054	0.7
179.03529	9.8
179.07118	1.2
180.04314	22.1
181.04581	0.5
184.03780	1.0
189.09108	0.4
193.05070	1.9
194.05862	8.7
195.06282	0.4
207.06659	10.5
208.07405	1.2
211.13719	0.4
211.37555	0.4
212.03271	1.7
219.13852	0.9
221.08304	2.3
226.04823	1.2
235.09679	1.0
236.10493	0.5
249.11246	2.6
263.12900	5.1
264.13528	1.4
273.18692	0.4
277.14444	0.8
296.12280	0.4
303.16061	0.9
305.17859	0.4
313.21912	0.7
317.17636	5.4
318.18045	0.9
324.18210	0.5
331.19113	0.5
339.23438	0.6
343.19205	1.8
344.19824	1.1
357.20685	3.1
358.21094	0.5
367.25916	0.5
369.20706	0.6
369.28070	0.8
371.22559	0.5
383.22223	3.2
383.26193	0.4
384.22614	0.4
395.25839	0.6
397.23843	3.3
398.24411	0.5
411.25394	2.5
412.26263	4.6
413.27005	12.3
414.27359	0.8
439.16733	0.5
575.33820	100.0
576.34125	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	575.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.2
61.98828	3.1
71.01375	3.7
71.62003	1.0
73.02923	0.9
80.50352	0.6
83.01383	0.8
85.02982	1.0
89.02453	2.1
99.00892	1.0
101.02456	2.7
113.02470	1.7
113.64250	0.6
125.02459	1.0
132.25336	0.8
161.04556	1.1
229.40871	0.6
235.08269	1.2
253.09309	12.8
279.23300	100.0
280.23624	8.1
285.40872	0.7
391.56213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01616	0.3
59.01399	0.5
61.98835	100.0
67.47874	0.3
69.34985	0.3
69.35314	3.0
80.96535	0.9
88.90921	0.3
98.19901	0.6
99.27207	0.3
121.77856	0.4
188.26360	0.3
277.21909	0.5
278.22256	1.0
279.22418	0.6
280.22641	0.5
366.04645	0.3
388.97595	0.3
473.29572	0.4
494.68246	0.3
506.05991	0.3
577.27045	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	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24321	1.2
57.03445	1.5
58.00589	4.4
59.01382	82.5
61.98824	3.4
69.48261	8.7
69.61720	1.2
71.01387	33.0
72.99313	6.3
73.02953	35.7
75.00880	5.6
79.56845	1.3
83.01402	1.6
85.02956	14.5
85.09045	1.2
87.00883	10.5
87.04513	3.5
88.98859	1.2
89.02447	29.5
95.01464	1.7
96.96009	1.9
97.02963	2.3
98.20557	3.0
99.00857	1.4
101.02448	63.7
103.04018	27.7
113.02442	4.2
113.55899	1.2
115.04019	8.1
119.03502	13.7
119.04961	1.3
121.02998	1.7
122.03759	2.2
123.00859	2.9
125.02441	9.3
127.04023	2.3
131.03523	9.6
137.09691	1.8
139.04007	1.6
143.03528	10.6
145.05055	9.9
149.00662	2.3
149.02441	5.6
150.03246	14.7
151.00351	2.3
151.03568	3.0
163.06128	100.0
164.06416	2.3
165.05563	19.5
166.06033	4.2
168.00635	1.4
168.04234	1.8
169.01433	5.8
172.89818	1.2
175.04039	1.4
181.08722	1.5
183.06622	5.1
187.11337	1.6
192.99683	1.4
195.06636	13.2
196.06973	2.2
205.07196	21.0
211.02411	1.6
235.08121	1.4
265.09320	6.0
331.14542	1.5
343.11835	3.7
361.89899	1.3
370.04984	1.3
471.15591	2.0
527.20453	2.8
539.21301	8.9
542.14514	1.3
575.26965	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	575.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.98832	6.0
67.01917	1.5
69.11195	1.1
71.01373	3.2
71.61169	1.3
72.99313	5.6
73.02932	1.2
73.97423	1.1
75.00889	3.3
83.01406	1.1
88.98801	1.3
89.02436	2.3
93.03451	4.9
95.01382	1.3
96.96012	6.8
101.02503	2.6
109.02966	1.5
121.02966	7.0
122.03729	12.4
123.00850	5.3
123.04494	1.3
125.02470	8.2
131.97417	1.1
133.02975	3.5
135.04544	1.8
136.01677	2.2
137.02431	2.6
139.04036	1.2
145.02968	1.1
149.02455	26.0
149.04526	1.3
149.05983	1.2
150.03226	92.7
151.00378	19.5
151.03735	3.9
152.58762	1.1
153.01915	1.6
153.05637	1.2
161.02411	1.6
163.03989	2.5
164.04866	7.7
165.01936	9.9
165.05571	100.0
166.02716	28.8
166.05898	2.6
167.03426	1.6
168.00696	1.4
168.04254	1.7
169.01437	11.8
179.03493	2.4
179.07137	5.0
180.04288	11.3
181.05063	46.7
182.05649	2.8
183.06618	6.5
191.03506	1.6
195.06616	75.6
196.06940	2.0
197.08183	2.2
211.02481	1.6
215.03448	3.3
225.07671	7.5
230.05606	1.5
240.04243	1.6
241.04890	2.1
243.02985	5.4
258.05319	1.6
271.02286	1.8
273.07782	1.6
286.08389	2.1
301.07156	25.3
301.10703	5.5
302.07645	2.2
304.22980	1.2
316.09521	14.1
331.11856	57.8
332.12216	2.5
343.11627	3.1
379.14008	5.6
423.06006	1.3
469.35593	1.5
512.14600	3.3
527.19177	3.4
537.19440	1.7
539.21332	10.1
575.27136	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	575.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86002	1.7
59.01376	13.2
60.59755	1.9
61.98839	4.2
71.01385	10.8
72.99310	4.0
73.02937	3.8
75.00880	100.0
83.01405	2.8
85.02956	4.0
87.00877	2.1
88.98816	2.0
89.02439	4.7
96.95998	5.4
101.02434	6.3
107.01414	2.9
113.02449	4.8
117.05552	2.1
119.03561	2.3
119.05021	5.6
123.00842	4.8
125.02456	8.7
130.79631	1.8
132.74835	1.8
135.00894	1.6
135.04517	2.4
138.06862	2.8
139.00407	2.4
140.01125	2.0
147.06647	4.3
151.00314	5.1
151.07640	2.3
152.08450	4.3
153.09175	10.7
158.94781	1.6
161.04535	7.1
163.04063	3.0
163.06099	2.7
169.01431	9.8
205.12190	3.5
223.13374	6.4
286.43228	1.8
289.07285	2.5
300.02905	3.3
385.18744	24.9
386.19070	2.0
399.28922	1.6
413.08395	2.2
443.19022	2.6
519.78296	1.7
532.91986	1.9
537.20117	5.5
539.21320	47.2
540.21796	4.6
551.10266	1.8
575.13574	5.8
575.21539	3.4
576.14490	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	575.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86002	1.7
59.01376	13.2
60.59755	1.9
61.98839	4.2
71.01385	10.8
72.99310	4.0
73.02937	3.8
75.00880	100.0
83.01405	2.8
85.02956	4.0
87.00877	2.1
88.98816	2.0
89.02439	4.7
96.95998	5.4
101.02434	6.3
107.01414	2.9
113.02449	4.8
117.05552	2.1
119.03561	2.3
119.05021	5.6
123.00842	4.8
125.02456	8.7
130.79631	1.8
132.74835	1.8
135.00894	1.6
135.04517	2.4
138.06862	2.8
139.00407	2.4
140.01125	2.0
147.06647	4.3
151.00314	5.1
151.07640	2.3
152.08450	4.3
153.09175	10.7
158.94781	1.6
161.04535	7.1
163.04063	3.0
163.06099	2.7
169.01431	9.8
205.12190	3.5
223.13374	6.4
286.43228	1.8
289.07285	2.5
300.02905	3.3
385.18744	24.9
386.19070	2.0
399.28922	1.6
413.08395	2.2
443.19022	2.6
519.78296	1.7
532.91986	1.9
537.20117	5.5
539.21320	47.2
540.21796	4.6
551.10266	1.8
575.13574	5.8
575.21539	3.4
576.14490	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	575.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.9
59.01378	22.8
59.42102	2.2
61.28302	2.1
61.98836	14.8
69.52037	2.2
71.01398	12.6
71.61853	4.8
73.02939	3.8
73.06734	2.4
75.00887	4.2
76.97502	2.5
85.02957	7.1
87.00898	5.1
88.98809	9.0
89.02456	7.0
94.48337	2.4
95.01392	3.2
96.96027	10.6
97.06625	2.9
99.11618	2.3
101.02441	7.6
106.15734	2.4
107.01447	4.0
113.02491	4.3
113.06096	2.9
119.03474	2.5
119.05041	10.6
123.00904	10.5
125.02448	28.0
135.04561	4.1
139.00418	3.2
140.01137	2.2
141.09253	3.7
145.02933	3.6
151.00343	8.1
161.02386	2.7
161.09784	2.4
163.04027	8.5
168.00639	6.6
169.01439	27.9
179.03505	3.4
187.11247	4.1
189.09126	3.1
205.12268	2.8
208.99170	8.8
211.02455	17.7
223.13380	3.1
261.03940	2.6
267.12350	2.7
269.04730	2.4
271.04587	26.7
317.02362	2.5
333.82898	2.3
369.15540	4.1
412.07794	4.0
413.08902	3.3
423.04041	8.0
481.17072	2.6
485.20084	7.9
513.19916	3.3
535.36627	2.8
539.21375	100.0
540.21710	9.3
561.71936	2.6
575.14136	12.6
575.23883	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	574.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98837	100.0
62.98528	0.3
69.32003	1.7
69.32412	0.4
78.95930	0.3
87.00925	0.2
98.20605	0.3
108.91813	0.3
120.83092	0.2
132.84253	0.2
152.99643	0.4
209.11884	0.3
262.34778	0.2
384.37857	0.3
439.08011	0.2
514.27802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.4
61.98826	7.6
67.92712	2.8
68.30795	2.7
69.59913	18.7
71.01385	3.8
72.99292	4.2
75.00879	6.2
79.95735	2.7
83.01398	2.8
85.02982	2.9
87.00866	3.7
89.02440	3.7
91.18591	2.6
93.03447	4.2
96.96014	49.8
97.02987	3.0
99.00868	3.7
101.02454	5.0
107.01376	3.2
109.02921	3.7
111.00891	3.4
121.02962	11.5
122.03747	18.1
123.00896	12.7
124.01636	4.6
125.02448	29.6
135.04529	5.2
136.01627	6.0
137.02446	8.5
139.00343	5.8
145.02995	2.8
149.02454	35.9
150.03229	94.7
151.00386	29.5
151.03957	5.9
153.01949	8.8
153.05634	3.8
161.02451	3.4
163.04024	5.4
164.04845	13.7
165.01920	24.2
165.05573	100.0
166.02695	25.1
168.04262	16.5
169.01416	25.0
175.04041	6.7
179.03461	4.8
179.07129	4.7
180.04269	22.2
181.05075	37.2
183.06616	39.2
195.06610	79.3
196.07066	3.1
210.05243	4.9
225.07588	18.6
246.01517	4.0
249.04050	2.6
267.06772	4.0
271.06085	8.5
275.02139	3.4
286.04974	2.8
286.08456	3.6
300.99991	3.0
301.07178	20.4
301.10791	13.1
316.09451	13.4
331.11926	42.8
343.11813	19.5
391.13962	3.1
401.12387	4.6
527.19434	17.6
537.19012	8.4
539.21283	46.9
540.22302	6.3
575.19684	3.8
575.27441	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	574.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73887	0.7
57.03446	2.0
60.79160	0.6
61.98835	100.0
71.05006	0.9
76.73455	0.6
81.03468	2.6
82.35370	0.7
83.01365	0.9
85.06587	4.3
90.19904	0.7
98.20624	2.1
114.08298	0.8
124.01706	1.7
125.02445	8.0
151.00374	1.6
152.01184	2.0
166.02765	2.0
169.71045	0.7
179.03525	2.1
233.93585	0.9
381.21024	1.9
399.21902	2.5
424.29294	0.7
455.24466	5.7
467.28076	4.6
511.27063	70.7
512.27454	9.4
555.06390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
61.50967	0.8
61.98835	100.0
74.65026	0.7
77.18515	0.7
81.03453	1.7
85.06580	2.2
95.01401	0.8
117.59712	0.8
125.02454	4.9
126.95074	0.7
131.91861	0.8
152.01144	1.6
153.05559	4.0
179.03464	1.1
367.26093	0.8
368.31805	0.9
455.24576	3.8
456.24658	1.2
467.28098	10.2
468.28195	1.0
511.27011	43.9
512.27405	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	573.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98748	0.6
59.01386	12.0
61.98828	1.9
70.36461	2.2
71.01402	3.1
73.02985	0.9
77.51435	0.6
87.00851	0.6
89.02445	2.9
99.00805	0.7
101.02447	3.1
118.28803	0.6
143.70360	0.7
153.05627	0.8
161.04579	1.6
235.08133	2.0
242.10150	0.7
253.09280	13.0
277.21729	100.0
278.22095	6.0
339.59406	0.6
541.17523	0.8
573.31274	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	574.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93930	0.8
58.95945	0.8
59.01395	4.8
61.98836	29.8
63.99284	0.8
66.58616	0.9
70.35683	2.1
70.36029	1.4
71.01392	4.5
72.05437	0.8
75.72337	0.9
76.07352	0.9
78.95900	0.9
81.03427	0.8
85.02929	0.9
89.02451	1.2
95.01395	1.4
96.96013	6.5
97.02933	1.0
99.53517	0.9
101.02450	1.5
107.01395	3.7
109.02972	0.9
111.00900	1.8
113.02476	1.0
113.06105	9.5
114.06440	1.8
119.05048	1.9
123.00877	5.9
125.02459	27.2
135.04492	0.8
137.02435	1.3
139.00368	3.2
139.07645	1.0
140.01187	1.6
145.03015	1.3
151.00421	4.3
153.12846	4.5
157.05151	0.8
163.04012	1.2
168.00636	6.2
169.01447	43.4
179.10805	1.3
183.22975	0.9
187.85663	0.8
197.11844	1.8
203.11021	0.8
211.02487	17.5
211.04361	1.5
241.03468	1.1
271.04611	22.2
313.05695	11.2
462.85397	0.9
511.18216	100.0
512.18524	10.0
574.19818	1.0
574.29053	3.8
575.22668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
61.98826	2.0
67.27466	1.8
69.73785	12.1
73.10390	1.8
75.00886	19.8
80.33532	2.0
80.51968	1.8
89.02466	3.3
92.60104	1.8
107.05051	2.4
116.92877	2.2
118.89999	3.2
123.04514	4.5
134.89426	2.5
135.03004	34.0
149.02409	5.0
150.03195	2.3
151.04019	7.8
155.38345	2.5
177.01918	5.2
190.02708	4.2
205.01411	2.5
206.02167	3.3
215.69904	2.0
271.31821	2.1
301.21741	2.8
399.25455	3.4
409.23767	14.8
425.23254	33.4
427.24939	16.7
437.23349	100.0
438.23724	10.4
439.24692	4.2
451.24374	2.7
453.22626	3.2
455.24292	17.7
455.34937	2.9
483.23874	8.7
573.33057	2.6
574.25171	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	573.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79819	0.8
59.12118	0.9
61.98822	1.5
71.50742	1.4
79.01876	1.8
85.24480	0.8
98.76929	0.8
109.06564	1.2
123.04545	1.3
135.04556	1.8
137.02461	1.1
141.45673	0.8
151.04004	3.1
152.04807	3.2
153.05592	4.8
160.84256	2.3
165.01938	3.5
177.02000	1.8
179.03505	11.0
179.07114	1.5
180.04286	20.1
193.05045	3.0
194.05867	8.4
205.12509	1.0
207.06628	9.3
208.07077	1.2
212.03337	1.8
221.08165	2.2
226.04755	1.4
235.09760	1.4
249.11276	2.7
263.12973	4.8
277.14514	2.4
300.10880	1.1
317.17496	2.0
355.19244	2.0
395.22485	1.9
408.81396	0.9
409.23853	3.9
410.24634	7.2
411.25342	9.3
573.32214	100.0
574.32452	11.9
580.47168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.4
69.67128	1.5
69.67532	5.1
70.79982	0.8
89.48189	0.8
98.19913	1.8
109.06576	2.4
111.04545	1.1
123.04521	1.5
127.29353	0.9
135.04506	1.3
137.02509	1.1
151.04007	3.9
152.04790	5.4
153.05618	6.1
165.01950	3.0
179.03493	12.2
180.04292	22.8
181.04605	1.1
184.03831	1.0
193.04973	2.0
194.05827	5.9
205.05125	2.0
207.06633	12.7
208.07312	1.0
212.03261	2.7
221.08197	3.5
226.04857	1.0
247.01866	0.9
249.11320	2.5
250.11932	1.0
251.14862	0.8
253.70087	0.9
263.12894	4.6
264.13599	0.9
277.14529	2.2
317.17703	1.5
329.17697	1.1
355.18890	1.5
365.25348	1.0
395.22388	3.1
409.23889	2.5
410.24640	7.4
411.25244	8.5
573.32245	100.0
574.32544	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	573.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14433	0.8
59.01373	2.4
61.98829	6.4
69.42693	7.0
71.01386	2.1
88.98817	1.5
89.02425	0.9
92.00083	0.9
93.03439	4.1
95.01398	1.3
95.38894	0.8
96.96031	5.1
98.95595	4.1
98.96402	0.9
99.58485	0.8
101.02460	1.1
107.01411	1.1
116.18174	0.8
121.02954	14.4
122.03754	13.9
122.12827	0.8
123.00883	1.6
123.04504	1.0
125.02426	4.0
133.02974	1.6
134.03726	0.9
135.04526	2.9
137.02440	1.1
147.04543	1.4
148.45715	0.8
148.90138	0.9
149.02449	48.5
150.03229	93.5
151.03770	3.0
152.01176	0.8
152.62648	0.8
153.01868	1.0
162.03305	1.1
164.04808	11.5
165.05571	100.0
166.02670	1.1
166.06355	31.9
167.07140	3.9
169.01460	3.8
175.03996	1.6
179.03493	1.1
180.04285	6.9
181.08710	19.1
195.06627	67.1
196.06891	3.5
253.05190	1.0
267.06650	1.0
269.08163	1.5
270.09076	1.4
271.04666	1.2
285.07809	2.1
299.99048	2.0
300.99850	1.3
313.10724	2.6
314.11505	7.7
314.56085	0.9
329.10358	2.7
329.13919	31.9
330.14197	2.3
343.07663	1.5
343.11838	29.6
344.12415	1.7
377.16089	2.4
391.13867	2.4
429.34937	0.8
430.76312	0.9
478.44397	0.9
485.31308	1.6
485.51315	1.0
525.21338	25.1
526.21783	2.8
537.19910	2.4
573.19879	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	573.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.5
59.01384	9.3
60.76332	1.1
60.99310	15.9
61.98829	8.1
69.36423	7.1
69.36845	4.9
71.01380	8.1
72.99306	2.4
73.02947	3.6
79.01912	1.3
83.01379	1.7
83.05041	1.1
85.02966	3.3
87.00874	9.3
88.98811	82.5
89.02447	2.4
91.11913	1.2
93.03391	1.6
95.01388	2.0
96.96008	7.9
97.03004	1.2
98.20672	2.5
98.95596	3.7
101.02451	3.6
101.06079	8.4
107.01400	5.0
107.05045	1.9
109.02986	1.3
111.00887	3.6
113.02447	4.2
113.06089	5.4
115.00385	1.6
115.92173	1.3
119.05051	1.5
123.00894	14.2
123.04501	1.7
123.08163	2.9
125.02450	24.8
127.00419	1.2
135.04543	3.2
137.02417	1.4
139.00371	5.6
139.07635	1.4
140.01151	3.7
141.01961	2.9
141.09239	7.0
145.03008	1.9
147.00883	1.5
149.02405	2.3
150.03261	1.8
151.00401	11.7
153.01979	1.7
161.02385	1.3
161.04503	1.4
163.03969	1.4
165.01945	2.9
165.05545	3.5
168.00635	4.8
168.17360	1.2
169.01436	28.6
179.03572	2.7
181.04968	1.4
187.11255	1.3
195.06673	1.8
211.02510	1.6
217.04904	1.6
300.99841	1.4
302.00183	1.2
312.06393	1.1
313.05701	1.9
315.01434	1.2
317.02084	1.6
338.07913	1.5
339.08603	1.3
366.07297	1.3
378.16068	1.3
411.07123	2.1
421.11414	35.8
422.11542	3.6
483.18716	100.0
484.19299	9.8
485.31491	9.2
529.30432	2.4
537.19928	2.5
537.32483	1.9
573.12634	4.4
573.25031	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	573.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.89919	1.0
59.01383	7.8
60.99313	15.8
61.98829	5.8
69.03479	1.1
71.01391	6.1
73.02959	2.8
83.01389	1.3
85.02979	1.2
87.00890	2.7
88.98814	100.0
89.02453	3.3
89.99120	1.4
95.01373	2.2
96.96038	3.1
97.02976	1.3
101.02455	2.4
107.01393	1.4
113.02431	1.5
113.06083	7.2
119.03502	1.2
123.00893	5.5
125.02454	9.2
127.00346	1.0
139.00401	1.5
139.07657	1.1
140.01154	2.4
150.03285	1.0
151.00362	5.5
168.00639	2.4
169.01436	11.7
175.09729	2.4
179.03426	1.1
179.05614	2.4
187.29204	1.1
197.39687	1.2
249.11224	1.5
334.31039	1.1
351.21802	4.2
371.29703	1.2
421.11505	1.4
421.24490	1.6
483.18738	58.3
484.18857	5.0
510.23907	1.4
573.12750	8.9
573.26178	5.5
574.13031	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	573.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
59.01386	20.2
60.99316	14.2
61.98839	10.0
69.03456	1.7
69.73809	9.6
70.72682	1.4
71.01394	13.0
71.05053	2.2
73.02953	8.4
79.01886	1.6
80.12366	1.3
83.01397	9.0
83.05021	2.0
85.02954	6.4
87.00883	20.5
87.04540	2.4
88.98815	100.0
89.02453	9.5
90.13584	1.4
95.01431	1.6
96.61488	1.3
96.96003	7.1
97.02982	2.9
101.02448	10.0
101.06111	7.3
107.01430	3.7
109.03017	2.1
109.06557	1.8
111.00909	2.8
113.02477	5.3
113.06088	9.0
115.00378	1.6
119.03497	1.5
121.06622	1.8
123.00896	13.2
123.04498	2.5
123.08125	3.0
125.02459	17.5
125.06058	2.1
125.09720	1.5
135.04543	3.2
139.00366	4.2
141.01920	2.0
141.09215	6.8
143.03528	3.9
149.02457	1.8
150.03242	5.2
151.00388	11.7
151.04036	1.6
153.01978	2.0
159.10236	1.9
161.02454	3.5
161.04524	6.9
163.03955	1.9
165.05571	3.5
167.03409	2.0
167.07104	4.5
168.00673	2.8
169.01440	18.9
175.09798	5.4
179.03476	3.1
179.05695	10.2
181.05074	1.9
187.11320	3.1
191.36005	1.5
193.98672	1.4
195.06670	3.5
196.07455	1.4
203.12901	6.3
205.12340	2.3
209.08334	1.3
211.09665	3.1
215.81551	1.3
225.32741	1.6
233.14063	1.6
244.69290	1.3
249.11211	2.1
259.19122	2.0
299.99249	2.8
300.02557	1.8
301.03622	1.6
313.05664	3.4
315.01245	1.8
341.10910	6.3
357.46988	1.4
447.09348	1.5
483.18723	96.8
484.19113	9.7
485.31351	8.5
519.19727	1.9
529.30670	2.8
535.21936	1.8
573.22931	11.5
573.29352	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	573.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.5
59.01384	9.3
60.76332	1.1
60.99310	15.9
61.98829	8.1
69.36423	7.1
69.36845	4.9
71.01380	8.1
72.99306	2.4
73.02947	3.6
79.01912	1.3
83.01379	1.7
83.05041	1.1
85.02966	3.3
87.00874	9.3
88.98811	82.5
89.02447	2.4
91.11913	1.2
93.03391	1.6
95.01388	2.0
96.96008	7.9
97.03004	1.2
98.20672	2.5
98.95596	3.7
101.02451	3.6
101.06079	8.4
107.01400	5.0
107.05045	1.9
109.02986	1.3
111.00887	3.6
113.02447	4.2
113.06089	5.4
115.00385	1.6
115.92173	1.3
119.05051	1.5
123.00894	14.2
123.04501	1.7
123.08163	2.9
125.02450	24.8
127.00419	1.2
135.04543	3.2
137.02417	1.4
139.00371	5.6
139.07635	1.4
140.01151	3.7
141.01961	2.9
141.09239	7.0
145.03008	1.9
147.00883	1.5
149.02405	2.3
150.03261	1.8
151.00401	11.7
153.01979	1.7
161.02385	1.3
161.04503	1.4
163.03969	1.4
165.01945	2.9
165.05545	3.5
168.00635	4.8
168.17360	1.2
169.01436	28.6
179.03572	2.7
181.04968	1.4
187.11255	1.3
195.06673	1.8
211.02510	1.6
217.04904	1.6
300.99841	1.4
302.00183	1.2
312.06393	1.1
313.05701	1.9
315.01434	1.2
317.02084	1.6
338.07913	1.5
339.08603	1.3
366.07297	1.3
378.16068	1.3
411.07123	2.1
421.11414	35.8
422.11542	3.6
483.18716	100.0
484.19299	9.8
485.31491	9.2
529.30432	2.4
537.19928	2.5
537.32483	1.9
573.12634	4.4
573.25031	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	573.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01124	1.3
59.01381	7.7
61.98819	3.2
71.01382	11.3
71.61433	1.8
73.02939	1.3
80.96509	1.5
82.96111	2.4
82.99059	1.5
83.01385	1.4
85.02943	3.1
87.00887	2.8
89.02434	3.2
95.01403	2.2
96.96006	8.9
98.95564	1.6
101.02443	4.5
103.00425	2.1
107.01405	2.7
109.02962	2.1
111.00868	2.0
113.02468	5.0
115.00377	4.4
118.96329	1.3
121.02895	1.7
123.00885	8.2
124.01717	1.6
125.02456	27.3
126.02774	1.8
127.00369	1.4
133.02980	7.6
134.03696	2.0
135.04538	38.2
136.04820	1.8
137.02444	2.0
139.03906	1.3
148.05406	1.8
149.06073	6.1
150.03166	1.4
151.00398	2.1
151.03958	2.1
161.02441	38.3
167.03455	1.7
168.00603	7.3
169.01440	39.9
170.01631	1.4
175.02487	6.6
177.05556	15.4
179.03506	63.4
180.03807	2.6
192.79744	1.7
202.95894	1.5
203.03506	3.7
211.02515	26.7
211.26747	1.4
221.04549	26.0
251.05605	23.8
254.98105	8.2
255.98474	4.0
256.97839	13.1
271.04630	37.8
272.04977	2.1
275.01971	2.0
281.06708	31.4
282.06985	2.4
298.01105	1.5
299.01987	2.3
299.99091	26.6
300.99689	10.4
301.99628	8.9
315.01514	19.5
316.01849	4.5
317.02097	9.2
323.07562	3.4
331.06641	11.8
335.01993	1.7
341.08728	7.6
342.09265	1.7
491.04398	4.0
493.09973	100.0
494.10132	11.8
529.07928	3.2
537.19861	23.7
538.20239	3.1
573.05621	43.1
573.20850	7.7
574.05872	5.9
574.22253	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	573.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01124	1.3
59.01381	7.7
61.98819	3.2
71.01382	11.3
71.61433	1.8
73.02939	1.3
80.96509	1.5
82.96111	2.4
82.99059	1.5
83.01385	1.4
85.02943	3.1
87.00887	2.8
89.02434	3.2
95.01403	2.2
96.96006	8.9
98.95564	1.6
101.02443	4.5
103.00425	2.1
107.01405	2.7
109.02962	2.1
111.00868	2.0
113.02468	5.0
115.00377	4.4
118.96329	1.3
121.02895	1.7
123.00885	8.2
124.01717	1.6
125.02456	27.3
126.02774	1.8
127.00369	1.4
133.02980	7.6
134.03696	2.0
135.04538	38.2
136.04820	1.8
137.02444	2.0
139.03906	1.3
148.05406	1.8
149.06073	6.1
150.03166	1.4
151.00398	2.1
151.03958	2.1
161.02441	38.3
167.03455	1.7
168.00603	7.3
169.01440	39.9
170.01631	1.4
175.02487	6.6
177.05556	15.4
179.03506	63.4
180.03807	2.6
192.79744	1.7
202.95894	1.5
203.03506	3.7
211.02515	26.7
211.26747	1.4
221.04549	26.0
251.05605	23.8
254.98105	8.2
255.98474	4.0
256.97839	13.1
271.04630	37.8
272.04977	2.1
275.01971	2.0
281.06708	31.4
282.06985	2.4
298.01105	1.5
299.01987	2.3
299.99091	26.6
300.99689	10.4
301.99628	8.9
315.01514	19.5
316.01849	4.5
317.02097	9.2
323.07562	3.4
331.06641	11.8
335.01993	1.7
341.08728	7.6
342.09265	1.7
491.04398	4.0
493.09973	100.0
494.10132	11.8
529.07928	3.2
537.19861	23.7
538.20239	3.1
573.05621	43.1
573.20850	7.7
574.05872	5.9
574.22253	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	573.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52238	0.8
59.01385	3.1
60.26997	0.7
61.98827	0.7
69.26788	7.9
71.01376	6.0
73.02972	1.3
79.95751	1.7
80.96503	1.4
85.02975	1.2
87.00900	1.4
89.02450	1.1
95.01410	1.1
96.96020	7.9
97.03016	0.9
101.02468	1.5
102.65510	0.8
107.01382	4.8
111.00915	1.4
113.02454	2.2
115.00387	1.4
123.00903	6.0
125.02455	38.4
125.08611	0.8
134.03723	2.9
134.86922	0.7
135.04532	100.0
136.04851	2.6
137.02448	0.9
139.00415	1.9
140.01169	2.1
142.13065	0.7
151.00378	5.3
161.02402	1.0
162.30980	1.0
165.58643	0.8
167.03539	1.0
168.00639	3.2
169.01433	56.8
170.01784	2.1
175.02495	2.4
179.03506	90.6
180.03850	2.5
181.05035	1.3
211.02473	3.6
219.59523	0.8
241.00227	8.3
241.03513	1.3
253.03474	1.1
254.98187	2.9
255.98424	1.7
256.97833	6.1
258.99240	0.8
268.44940	0.8
271.04596	1.9
299.99142	11.3
300.99661	3.6
301.99652	5.4
313.05655	43.8
314.05984	2.6
315.01532	9.5
316.01880	1.9
317.02103	3.9
341.08768	1.8
351.21991	1.2
393.01431	8.9
421.04416	10.4
429.95822	1.0
491.04843	1.4
493.09967	72.2
494.10400	7.5
511.14786	1.0
573.05579	59.5
573.21472	5.8
574.06110	4.6
574.22174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
59.54623	0.7
61.49071	0.7
62.00690	0.7
64.57662	0.8
71.01393	3.6
74.99070	1.0
79.95734	0.8
83.01389	1.0
85.02951	1.4
87.00891	0.9
96.96023	9.4
97.02947	0.9
98.19887	1.2
101.02446	1.3
107.01373	5.1
107.05035	1.1
111.00883	1.1
113.02409	1.4
117.53558	0.7
120.99682	1.2
123.00884	5.7
125.02452	28.6
126.02826	0.9
134.03740	2.6
135.04530	98.5
136.04875	3.0
136.99060	1.1
137.02548	0.9
139.00383	1.6
140.01147	0.9
151.00334	4.7
153.01984	0.9
161.02431	1.4
165.01945	1.4
168.00639	1.6
169.01437	53.5
170.01743	1.5
179.03511	100.0
180.03914	2.5
187.04144	0.7
198.70558	0.9
211.02489	2.3
215.77762	0.8
229.01242	1.1
241.00258	6.2
241.03520	1.6
249.04166	0.9
256.97833	0.8
275.01910	2.1
281.06641	1.1
299.99017	2.2
300.99881	2.6
313.05652	48.7
314.06042	2.5
315.01651	1.7
317.02194	1.0
341.08896	1.8
393.01324	7.4
421.04556	9.7
435.05948	1.0
493.09903	64.3
494.10333	4.7
573.05542	60.9
574.05908	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	573.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81732	1.9
54.50232	1.7
59.01384	8.4
61.98835	7.1
64.13594	1.6
64.48655	1.7
71.01394	15.8
71.56269	2.4
71.56618	2.3
72.01761	2.0
73.02934	2.2
79.95751	3.7
80.96544	5.0
82.96104	4.4
83.01406	2.4
84.97735	1.8
85.02968	5.3
87.00900	2.2
89.00084	1.7
89.02465	5.8
95.01396	3.3
96.96030	22.0
97.02933	1.7
97.08489	1.7
98.80160	1.6
98.95607	4.0
101.02446	2.8
102.98615	1.7
106.99160	2.0
107.01414	3.6
109.02965	3.9
111.00876	3.7
112.92108	1.6
113.02454	7.2
115.00388	7.3
117.96339	1.7
121.02965	2.2
123.00912	10.7
125.02449	32.5
133.02957	7.7
134.03780	2.5
135.04541	43.2
137.02512	4.1
139.00369	3.5
143.38118	1.8
149.02481	2.5
149.06102	8.1
150.03160	1.9
151.00417	5.4
151.04034	2.5
152.90427	1.8
161.02463	44.2
161.04581	2.2
165.01947	1.9
165.05559	2.3
168.00665	3.7
169.01434	45.6
169.02817	3.7
175.02492	10.4
177.03142	2.5
177.05560	15.0
179.03508	59.8
179.05138	2.9
180.03905	2.4
189.01974	2.2
192.41064	2.0
195.06647	3.7
203.03564	4.6
211.02480	10.3
221.04530	24.6
229.01495	3.8
231.02963	2.2
247.02426	2.9
248.03281	1.9
249.04086	3.7
251.05608	28.2
254.98225	13.4
255.98453	7.0
256.97849	25.7
271.04562	18.7
275.02118	4.5
281.06689	35.1
299.99112	46.7
300.99713	22.6
301.99606	20.7
315.01456	33.7
316.01685	10.9
317.01953	15.9
323.07819	3.9
325.00003	3.5
331.06696	5.8
341.08868	7.6
473.18082	1.7
491.04794	5.8
493.10056	100.0
494.10199	7.8
511.14615	5.3
514.07239	2.4
529.08252	4.5
537.19849	7.9
573.05640	43.6
573.20703	11.4
574.06177	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	571.289
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.81166	0.5
69.67415	3.4
71.87177	0.6
78.95907	62.1
96.96970	11.6
97.69173	0.6
98.20607	1.0
116.92240	0.7
150.97998	0.9
152.99593	59.4
196.84175	0.8
202.65590	0.6
223.00134	2.0
241.01196	30.6
255.23300	74.2
256.23721	4.0
259.02057	0.7
315.04889	10.9
391.22495	6.0
466.69421	0.7
558.62628	0.7
571.28888	100.0
572.29089	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	572.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14003	0.2
52.27850	0.3
52.68788	0.3
59.01379	0.5
61.47935	0.3
61.98835	100.0
69.51723	1.8
71.57043	0.3
78.95915	0.3
79.36489	0.2
83.54500	0.2
116.85671	0.3
134.76820	0.2
152.99658	0.3
162.32806	0.3
209.11885	0.6
211.13477	0.6
256.86316	0.3
316.02097	0.3
381.08621	0.3
393.08420	0.3
395.47827	0.2
395.94968	0.2
524.41028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
61.98833	7.1
78.95924	1.0
96.96953	1.6
99.92583	12.7
100.92699	0.7
100.93371	3.4
115.92085	100.0
116.92083	3.0
116.92879	3.8
125.02466	0.8
132.92328	0.9
139.04027	1.0
153.05594	1.5
159.95364	0.6
169.29735	0.6
200.64412	0.6
221.19118	0.8
254.98080	1.7
283.18973	1.0
287.22226	2.2
299.58652	0.7
299.99173	2.7
315.01486	2.4
471.34671	3.1
473.35577	1.0
553.27063	1.1
555.24176	2.8
571.27325	72.4
571.42194	3.5
572.27692	14.2
585.16858	1.1
585.25366	11.4
586.25574	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	571.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57974	0.3
59.01389	2.0
61.98829	1.3
63.50112	0.3
71.01386	1.3
71.61204	0.5
79.95742	5.4
80.96517	1.0
85.02941	0.5
88.98823	0.6
89.02468	0.5
95.66994	0.3
95.95250	2.6
96.96016	100.0
104.46391	0.3
109.02979	0.5
113.02449	0.7
115.00385	0.9
117.05573	0.4
121.02995	0.3
123.00896	0.8
125.02497	1.0
136.01660	0.5
145.47134	0.3
149.02412	0.7
150.03268	1.9
151.00369	0.5
151.04002	0.7
165.01915	0.5
165.05565	1.6
169.01437	1.3
175.02538	1.1
177.01920	0.7
183.02910	0.3
183.10313	0.7
195.06624	0.8
201.13060	0.4
204.04320	0.5
219.06723	0.5
249.07796	0.6
254.98163	4.3
263.02048	0.8
273.08020	2.7
291.09189	0.4
297.11411	0.7
299.99112	6.3
300.99545	0.4
315.01468	5.8
316.01651	0.4
349.16547	0.5
373.12723	0.6
377.07642	1.0
396.84662	0.4
491.04556	1.3
571.20654	52.6
572.20959	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	571.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
70.38784	2.5
71.01389	13.1
79.95744	3.7
80.96519	10.8
82.86653	0.7
85.02955	4.2
87.00884	2.6
96.96011	10.8
103.00384	2.4
113.02441	7.1
115.00372	9.7
126.63007	0.7
138.97087	2.2
157.01521	1.1
166.96516	1.3
175.02496	18.5
192.98094	4.9
200.01016	0.9
216.00638	1.1
254.98172	76.5
255.98523	1.2
298.98550	0.9
299.99115	100.0
300.99438	7.8
315.01480	89.9
316.01782	4.9
491.04669	21.4
491.11832	1.0
492.05005	1.7
558.44055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82163	1.1
58.00563	1.4
59.01388	10.3
61.43900	1.1
67.01868	1.8
69.03458	1.5
69.44175	6.5
69.44594	2.9
71.01381	13.5
72.99316	6.7
73.02946	2.7
75.00855	3.7
80.27652	1.4
81.61384	0.9
83.01342	1.6
85.02970	12.8
87.00837	4.3
89.02420	5.0
95.01359	4.8
96.95970	2.7
99.00910	6.0
99.76432	1.0
101.02433	2.0
103.00340	2.4
107.01405	8.7
111.00874	2.7
113.02465	18.9
115.00330	3.0
116.92815	2.4
123.00881	8.6
124.01653	2.1
125.02451	49.1
127.00266	1.2
129.01884	1.1
135.39201	1.2
136.98759	1.9
137.02371	1.3
139.00304	3.7
139.36801	1.1
140.01160	3.0
151.00366	6.6
165.01852	1.2
168.00641	6.6
168.68491	1.1
169.01428	60.8
170.01773	2.2
172.40189	1.1
175.02397	2.7
193.03427	4.8
209.04517	7.2
221.90999	1.2
225.03923	4.6
239.05521	4.2
243.04910	4.5
249.06232	6.9
267.04898	16.8
267.07132	17.6
271.04562	2.1
275.01819	2.5
285.05826	1.5
300.99725	5.1
339.07056	6.8
357.07974	4.7
383.05978	3.2
401.07309	22.3
419.07733	28.6
420.07962	1.7
553.08063	1.2
571.09155	100.0
572.09460	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	570.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.58333	0.1
61.98836	100.0
62.98545	0.2
71.01395	0.4
78.55467	0.2
85.02987	0.3
87.00905	0.2
96.96033	0.3
101.02440	0.3
107.01441	0.2
123.00903	0.4
125.02459	0.9
139.00378	0.3
151.00391	0.3
168.00691	0.2
169.01393	1.2
175.02516	0.2
179.10832	0.2
211.02457	0.3
212.02727	0.2
228.83252	0.2
254.98335	0.3
257.66315	0.2
271.04828	0.3
299.99084	0.8
315.01669	0.4
510.36435	0.3
570.26453	2.1
571.27563	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	570.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
61.98833	100.0
69.42103	1.3
71.01379	0.2
98.20647	0.4
139.73383	0.2
152.97893	0.2
299.99179	0.4
471.50836	0.2
570.26917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01367	3.0
69.73083	3.3
71.01387	14.5
73.02962	1.1
79.95739	4.1
80.96519	11.6
85.02953	3.6
85.76747	0.6
87.00889	2.1
94.38754	0.5
95.01412	1.0
96.96014	10.0
98.19907	1.2
103.00369	1.4
113.02466	6.4
115.00382	10.2
115.24765	0.6
118.88993	0.6
138.97076	3.1
157.01431	2.0
166.29826	0.5
166.96548	1.4
172.01608	1.0
175.02486	15.6
192.98172	4.1
200.01122	0.9
216.00644	1.0
236.97400	0.6
244.00211	1.2
254.98174	68.0
255.98515	1.5
270.99048	0.7
298.98251	1.1
299.99118	100.0
300.99475	5.4
315.01471	77.7
316.01852	4.9
491.04691	17.6
492.04892	1.3
512.77399	0.6
571.00586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01383	7.3
60.17144	0.9
61.92077	0.8
61.98832	58.7
65.00320	1.1
67.01903	1.0
69.03474	1.3
71.01382	6.2
73.02950	2.0
73.49685	0.8
83.01400	2.5
85.02972	1.8
87.00888	3.9
88.98818	2.5
89.02450	2.4
93.03484	1.2
95.01399	1.7
96.96017	3.3
97.02968	0.9
101.02449	3.9
107.01403	8.5
111.00879	4.7
112.30588	0.9
113.02424	2.1
117.03480	1.2
121.02958	1.2
123.00902	9.7
123.04509	1.2
124.01720	1.3
125.02451	50.9
126.02789	1.9
127.00426	1.0
135.04539	4.9
136.04863	1.5
136.98795	2.4
137.02496	1.9
139.00403	4.5
139.03996	1.4
140.01169	5.7
145.03003	2.0
151.00394	9.1
151.03973	1.5
152.00784	1.6
153.01942	1.7
153.05620	1.5
155.07138	0.9
161.02455	1.8
163.04060	7.5
164.04771	2.0
165.01817	1.1
167.03491	0.9
168.00633	7.8
169.01436	62.1
170.01765	4.0
175.02602	1.2
178.06374	8.0
179.03447	1.1
179.07054	2.8
183.03004	2.9
193.08731	3.9
194.08632	1.0
211.02411	1.9
221.27797	1.0
241.03462	1.6
254.98183	3.0
297.06296	2.6
299.99103	5.0
313.05676	13.4
315.01395	4.3
327.07257	2.0
329.16046	1.0
417.20889	1.4
418.21552	1.2
444.09406	1.0
507.15100	100.0
508.15378	10.6
508.22443	1.4
532.22845	2.1
569.25549	6.1
570.13904	1.8
570.26288	18.2
571.26746	3.8
586.86438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02777	3.5
59.01386	15.4
60.99306	17.3
61.98835	47.3
66.47602	3.1
69.93481	3.1
71.01389	4.4
80.14380	3.3
88.98813	100.0
91.36942	2.9
93.56784	3.4
96.96042	3.2
97.02953	4.3
113.02439	4.2
125.02433	7.3
137.06032	4.9
140.62166	3.5
141.09198	12.3
150.03206	4.7
153.05580	20.8
165.05594	33.4
200.55505	3.2
209.11806	13.1
306.65573	3.2
361.16962	3.3
407.28198	16.0
479.26422	27.8
480.26804	3.6
569.24445	3.5
569.32391	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	569.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
59.25004	1.1
61.98837	27.9
71.01382	4.1
71.60591	1.2
73.02946	1.0
85.02966	2.0
88.98795	1.0
89.02472	1.8
96.96024	2.7
101.02448	1.8
109.29197	0.8
113.02443	1.2
116.92885	2.5
120.68568	0.9
121.06612	1.9
125.02508	1.7
135.04585	6.6
136.05315	50.0
137.05746	1.1
139.04005	1.3
148.05377	1.1
149.06096	23.6
150.06895	17.2
162.06966	1.1
163.07681	3.2
165.05527	1.7
165.09221	40.4
166.09557	1.8
176.03517	1.8
179.03525	3.8
233.65097	0.9
239.20241	1.9
241.18134	11.7
315.02121	1.0
346.44443	0.9
371.25800	2.6
388.26160	1.4
389.27032	7.7
392.25742	1.7
406.27298	24.0
406.32462	1.6
407.28055	58.6
408.28476	4.6
569.33398	100.0
570.33685	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	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02777	3.5
59.01386	15.4
60.99306	17.3
61.98835	47.3
66.47602	3.1
69.93481	3.1
71.01389	4.4
80.14380	3.3
88.98813	100.0
91.36942	2.9
93.56784	3.4
96.96042	3.2
97.02953	4.3
113.02439	4.2
125.02433	7.3
137.06032	4.9
140.62166	3.5
141.09198	12.3
150.03206	4.7
153.05580	20.8
165.05594	33.4
200.55505	3.2
209.11806	13.1
306.65573	3.2
361.16962	3.3
407.28198	16.0
479.26422	27.8
480.26804	3.6
569.24445	3.5
569.32391	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	569.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98810	0.5
62.68266	0.4
65.00301	0.5
67.01885	1.0
69.49130	2.6
71.01376	3.3
72.99326	0.4
73.02958	0.5
79.01900	1.2
85.02957	1.4
89.02425	0.7
95.01392	1.9
97.02964	0.6
101.02438	1.1
107.01394	5.4
111.00877	4.0
116.92866	2.1
121.02975	3.2
123.00893	14.9
123.04401	0.5
124.01665	2.2
125.02454	18.6
127.00404	0.9
128.24506	0.4
135.04501	0.8
136.98814	2.2
139.00391	6.0
139.03999	0.8
140.01154	5.2
141.01936	1.6
151.00369	8.5
151.03993	0.6
153.01968	0.6
154.99971	0.4
163.04025	0.4
164.28708	0.4
165.01917	1.5
166.06357	16.5
166.99898	0.5
167.03574	0.5
167.07033	1.6
168.00650	6.9
169.01428	24.3
179.03528	0.9
181.01445	0.7
181.08730	5.3
181.82571	0.4
182.02174	0.5
183.03040	2.2
195.06624	0.6
211.02518	4.9
215.96034	0.4
225.04042	2.4
267.05106	0.6
271.02161	0.8
271.04611	1.5
279.05331	0.4
285.06165	1.4
300.99860	0.9
313.05710	1.8
316.02310	2.3
317.03043	0.6
371.09698	1.0
376.24634	0.4
387.09219	1.9
417.14026	0.6
479.08130	2.0
521.20294	2.4
569.18756	100.0
570.19171	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	569.1879
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01870	0.5
59.01384	1.6
65.00352	0.6
66.43968	0.4
67.01876	0.8
67.84923	0.4
71.01389	3.2
72.99348	0.6
73.02954	0.8
79.01897	1.5
83.01410	1.1
85.02959	1.2
87.00912	0.5
89.02446	1.0
93.41136	0.4
95.01390	1.8
97.02972	0.7
98.19877	1.8
101.02460	1.6
107.01395	5.3
111.00867	2.8
113.02432	0.6
121.02957	3.3
122.99997	0.6
123.00903	16.0
124.01662	1.9
125.02463	17.7
125.61600	0.4
127.00410	1.2
134.43234	0.6
135.04521	0.6
136.98837	2.1
137.02379	0.7
139.00409	5.1
140.01186	5.7
141.01956	1.7
151.00375	7.9
151.04051	0.5
153.02002	1.0
166.06372	14.4
167.07034	1.0
168.00647	7.2
169.01443	23.6
169.43990	0.6
170.01756	0.6
181.01538	0.7
181.08694	4.9
182.02267	0.9
183.03001	2.4
211.02544	3.5
225.04018	2.8
271.04648	1.6
285.06305	1.4
287.04050	0.4
313.05649	1.6
387.09296	2.4
569.18762	100.0
570.19171	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	568.334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68857	0.1
59.01379	0.8
61.98832	100.0
69.33500	1.2
69.33907	0.4
71.01386	0.4
82.22333	0.1
85.02982	0.2
87.57984	0.2
101.02435	0.3
102.92735	0.2
107.01431	0.2
108.90205	0.1
123.00899	0.4
125.02464	0.9
145.09959	0.1
151.00371	0.2
169.01450	0.7
255.06699	0.5
313.05914	0.3
500.18246	0.3
508.35535	0.6
568.24695	2.4
569.13159	0.3
569.25916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06042	0.3
59.01381	1.0
61.98837	100.0
71.01388	0.3
83.68508	0.3
101.02455	0.4
113.02463	0.3
136.89708	0.2
139.47083	0.3
144.94092	0.3
479.58377	0.3
508.35947	0.9
568.24701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64935	0.7
59.01350	1.6
61.50165	0.7
64.13287	0.7
69.03459	1.0
69.74656	4.6
71.01373	3.9
71.79015	0.7
72.99290	0.9
73.02937	1.3
85.02950	2.2
89.02419	1.7
95.01398	1.4
96.96008	1.8
101.02390	1.1
104.07168	0.7
107.01391	9.6
108.02185	41.2
109.02976	15.5
114.56281	0.7
123.00863	3.3
123.04484	1.1
125.02451	31.8
126.02721	1.6
133.02919	1.0
139.00374	1.0
140.01120	0.7
140.40367	0.7
151.00346	2.4
151.03986	3.2
152.01163	79.6
153.01756	3.2
156.00938	0.7
163.03972	2.5
168.00604	1.7
169.01440	40.9
211.02530	3.7
241.07233	3.7
259.07117	2.4
271.04547	7.1
285.06076	1.2
291.10043	1.0
297.52246	0.8
300.99738	1.2
313.08173	3.1
331.06558	2.2
371.08734	1.2
399.09363	1.4
417.10413	43.9
418.10504	2.4
509.13983	1.5
525.12488	7.3
569.11292	100.0
570.11749	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	568.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38079	0.3
51.72298	0.2
52.40981	0.2
57.03437	0.3
59.01386	1.5
61.98831	100.0
69.93250	0.7
69.93658	0.5
71.01374	0.6
72.78738	0.2
89.02469	0.5
89.85142	0.2
91.24586	0.2
96.96001	1.2
97.02960	0.3
101.02447	0.6
111.00926	0.3
123.00896	0.5
124.27063	0.2
125.02458	1.4
126.02771	0.3
133.01451	0.3
139.00407	0.3
141.01897	0.4
161.02487	0.5
169.01474	1.0
170.01744	0.3
211.02422	0.3
271.04672	0.4
301.03021	0.3
349.80811	0.2
357.54053	0.3
376.23044	0.3
387.69022	0.2
413.41330	0.3
440.81308	0.3
508.27658	0.3
550.16791	0.3
568.17035	0.4
568.24866	0.9
569.18335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98834	100.0
62.98526	0.2
67.75039	0.2
69.33257	0.6
69.33680	1.2
71.01389	0.5
79.74603	0.2
85.02991	0.3
87.04532	0.2
88.98835	0.3
89.02489	0.3
101.02456	0.6
108.98543	0.2
116.92897	0.3
123.00879	0.4
124.01273	0.2
125.02438	0.5
134.03680	0.2
151.00391	0.3
153.05650	0.2
169.01488	0.7
170.01791	0.3
211.02612	0.3
305.73846	0.2
410.14352	0.2
507.34341	0.2
508.35742	2.2
568.24609	1.7
569.25775	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	568.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98835	100.0
69.33140	0.4
69.33393	1.3
69.33802	1.2
73.43060	0.3
96.33353	0.3
98.20692	0.5
114.07843	0.3
120.23924	0.3
164.60385	0.3
202.31932	0.3
508.35666	0.5
515.75842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03443	2.6
59.01385	57.0
61.98832	36.1
67.64680	1.1
69.32767	11.3
71.01382	22.8
73.02954	10.1
75.77655	1.2
83.01385	5.0
85.02960	11.1
85.83293	1.3
87.00900	1.4
89.02454	7.7
95.01419	3.4
96.96045	1.4
97.02900	2.3
97.69840	1.3
98.20635	3.3
99.00855	3.7
101.02456	20.0
103.59529	1.1
111.00900	1.6
113.02478	12.7
119.03467	2.4
122.09135	1.4
125.02445	3.5
125.69088	1.3
129.01913	1.6
140.01122	1.2
140.66893	1.2
143.03577	2.1
151.00325	1.6
159.02945	2.7
161.04546	8.6
169.01437	3.2
206.39212	1.2
299.26016	1.5
345.30182	7.9
400.90500	1.5
406.22507	1.2
507.35379	100.0
508.35864	11.0
567.24109	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	567.2966
Annotation	5-Oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
53.21235	0.8
61.29139	0.9
61.98811	2.7
65.00341	1.3
71.60889	1.4
77.15300	0.8
81.03440	1.7
82.29873	1.0
83.01372	2.6
91.12901	0.9
95.01392	1.1
95.22794	0.8
109.02945	1.1
109.06580	1.1
119.05003	1.1
121.03018	1.2
123.00909	4.0
124.01639	3.0
125.02486	4.3
137.02472	6.3
138.03209	2.9
139.04013	1.6
149.02419	2.1
150.11879	0.8
151.04089	0.8
152.01152	1.5
153.05545	1.2
159.04539	1.0
163.00375	1.5
163.03983	2.1
164.04761	1.1
166.02705	2.2
173.06079	1.0
174.03279	1.3
175.03986	2.4
176.01183	1.5
177.01897	2.9
177.05516	2.0
179.03552	1.7
191.03497	3.0
192.04323	1.1
192.08058	1.2
195.94142	0.9
197.18806	0.8
201.05545	1.8
203.03479	3.7
205.05145	0.8
205.59821	0.9
217.05020	2.3
227.03409	1.2
227.42828	0.9
231.06894	0.9
231.17461	1.1
233.08162	1.0
241.05029	1.0
243.02747	1.4
243.06644	1.9
245.04448	1.5
273.18616	2.5
274.19257	1.0
313.21671	2.4
315.05072	1.1
315.19678	0.8
317.09979	1.5
343.08231	1.0
349.50223	0.9
357.20789	8.7
369.20731	11.5
381.20651	1.0
385.12863	1.3
395.22321	12.5
396.22369	1.2
475.25006	2.3
490.28448	0.9
503.24155	4.5
504.21637	1.5
505.21631	1.6
507.23639	3.9
508.24863	1.0
519.23877	17.8
520.23901	1.6
523.27039	7.1
549.28595	100.0
550.28937	11.2
567.29565	65.9
568.29919	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	567.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
56.98382	0.3
57.03446	0.4
57.39516	0.3
59.01382	3.5
61.98835	4.2
62.80901	0.3
65.00323	0.4
67.01880	0.9
67.94011	0.3
68.99813	0.6
69.03458	0.6
69.50975	2.3
71.01389	3.2
72.99308	0.7
73.02954	0.6
74.94046	0.3
79.01877	0.7
81.03461	0.4
81.86748	0.3
83.01389	1.1
85.02976	1.5
87.00871	0.6
87.87077	0.3
89.02452	0.7
95.01398	1.8
96.96017	3.0
96.99344	0.3
97.02943	0.3
98.20619	0.5
98.72799	0.3
101.02462	2.2
107.01389	2.9
110.00098	0.5
111.00893	3.7
113.02435	1.0
123.00894	12.0
123.04456	0.3
124.01703	1.9
125.02454	14.5
126.02737	0.4
126.30801	0.3
127.00397	1.4
136.98807	2.6
137.02386	0.4
139.00389	5.4
140.01172	5.7
141.01970	1.5
145.02998	0.3
151.00374	8.1
153.01889	0.8
154.99911	0.4
163.03986	0.7
166.99818	0.6
167.99181	0.4
168.00648	12.2
169.01431	20.6
170.01701	0.6
177.04016	0.8
179.03453	0.4
179.10793	0.3
211.02492	4.7
271.04581	3.0
297.06149	1.9
313.05673	1.0
329.05228	0.6
333.96948	0.3
375.23917	0.4
399.12720	0.3
401.10938	0.6
481.16803	0.3
496.19434	0.4
497.20123	1.9
507.28354	0.7
567.24475	100.0
568.24823	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	567.2594
Annotation	CHEBI:68372
Peak:m/z	Relative Intensity
54.91993	1.2
56.25302	1.2
57.03456	14.8
59.01368	1.5
61.98806	4.1
65.00313	2.9
70.51574	1.1
71.09520	2.2
80.96506	4.3
81.03462	9.9
83.01380	4.3
83.04989	1.5
85.06573	1.6
95.01385	3.4
95.05038	1.8
97.06618	6.7
102.21764	1.3
109.02954	2.1
111.00832	1.5
123.00867	2.3
124.01654	4.0
125.02454	93.5
126.02766	1.4
135.04521	2.1
138.03242	2.6
139.04001	6.2
141.05626	1.8
147.99799	1.1
151.00337	4.7
152.01126	3.4
153.05620	6.6
166.02667	5.1
167.07036	1.2
172.68977	1.4
179.03448	3.4
180.04143	1.3
193.05035	1.8
247.09702	1.4
367.26303	2.0
369.24344	2.0
381.20691	3.7
383.22641	1.5
399.21680	1.6
411.25287	3.2
439.24274	1.2
451.28247	2.3
455.24399	21.0
456.25043	1.7
479.28070	6.4
495.27576	7.3
523.27014	33.1
524.27228	4.0
567.25922	100.0
568.26196	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	567.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01382	5.2
61.98840	2.8
67.01896	0.5
69.03456	0.6
71.01384	3.8
72.99312	1.1
73.02942	1.0
74.99078	0.4
79.01923	0.7
79.95743	0.7
83.01403	1.6
85.02977	1.8
87.00882	1.2
88.98781	0.8
89.02439	1.6
95.01402	1.7
96.96014	8.3
97.02987	0.6
99.00871	0.7
101.02460	2.2
107.01396	4.4
107.05030	0.6
109.02985	0.5
111.00883	2.7
113.02446	1.2
119.05042	0.6
120.99660	1.4
123.00892	12.6
123.04556	0.5
124.01752	0.9
125.02450	17.6
126.02850	0.5
127.00400	0.8
135.04527	13.2
136.98868	1.6
137.02521	0.8
139.00395	4.7
140.01183	4.9
141.01953	1.5
145.02945	1.6
151.00369	8.6
151.03995	0.8
153.01952	1.1
161.02420	1.0
163.04071	1.3
165.01900	0.4
165.05653	0.5
168.00647	7.3
169.01431	25.6
170.01817	0.5
177.04111	1.0
179.03503	12.0
193.01505	0.9
201.28735	0.4
211.02457	7.0
243.01419	0.4
255.03036	0.6
271.04572	7.9
271.19217	0.6
297.06262	0.7
305.06662	0.6
313.05670	1.8
327.96045	0.4
331.06769	1.2
357.08105	2.1
387.03769	0.8
405.19174	1.4
465.06747	0.6
470.08563	0.5
474.16003	0.5
487.12439	1.5
497.20331	0.9
567.08380	3.1
567.24536	100.0
568.24866	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	567.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42537	0.8
50.87625	0.9
56.61304	0.9
57.03437	1.0
59.01392	8.5
61.98837	74.6
66.55632	0.8
69.55541	4.1
69.55969	2.8
70.04202	1.0
71.01392	6.3
72.89243	0.9
73.02924	2.7
85.02931	3.4
87.00867	1.1
88.98783	1.7
89.02442	6.2
95.01416	1.4
96.95998	3.3
97.02936	0.9
98.19934	1.0
99.00887	8.3
101.02418	3.3
101.16786	0.9
107.00713	2.1
107.01401	31.1
107.16557	0.9
109.02972	1.3
111.00872	1.9
113.02425	4.0
116.92852	6.1
117.92860	3.4
118.92657	4.0
118.99860	1.3
119.04967	1.5
123.00896	11.0
123.04502	1.6
124.01614	1.0
125.02457	69.8
126.02751	2.0
131.03462	1.9
133.02921	1.3
134.03725	1.2
135.04539	35.3
136.04781	1.2
138.03265	1.6
139.00352	4.0
139.03972	2.0
140.01105	1.6
145.02927	2.3
146.05879	1.0
149.04622	1.2
151.00368	5.8
153.01920	2.8
153.05547	3.2
161.02391	2.8
163.03996	1.3
167.03444	1.4
168.00633	1.2
169.01440	100.0
170.01776	3.1
179.03519	40.0
179.05115	1.9
180.03810	1.6
186.08763	0.9
195.06676	1.0
197.14664	1.0
209.08156	1.5
211.02513	1.5
271.04526	1.9
292.40738	0.9
298.66360	1.1
313.05582	2.5
315.62195	1.1
363.89325	1.1
387.03958	2.2
405.11777	3.0
467.11963	1.3
487.12363	3.0
507.24820	1.3
567.08252	6.1
567.16986	86.1
567.24438	9.0
568.17572	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	567.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03429	2.7
57.26181	1.1
59.01384	11.2
61.57662	0.9
61.98835	23.9
63.99218	1.2
65.00259	1.1
67.01881	2.4
69.03452	1.3
71.01390	10.4
71.94899	0.9
72.99290	1.4
73.02924	2.9
75.00845	1.3
79.01871	2.3
83.01342	3.8
85.02923	4.5
87.00848	2.4
88.98784	1.8
89.02436	2.4
93.03436	1.2
93.26263	1.0
95.01365	4.4
96.95973	3.9
97.02956	2.2
98.19839	2.0
98.77180	1.0
99.00847	1.2
101.02448	7.9
104.53365	1.1
107.01387	7.4
111.00900	9.2
113.02409	3.3
115.00330	2.1
117.05589	1.3
119.03474	1.0
119.04943	1.5
121.02895	1.2
123.00902	26.4
124.01655	2.3
125.02457	36.4
126.02806	1.3
127.00328	1.9
131.03462	1.0
133.01442	4.9
135.04514	1.9
136.98746	2.9
139.00409	8.5
139.03932	3.8
140.01187	8.2
141.01852	4.3
143.19438	1.0
145.02831	1.0
149.90370	1.2
151.00374	13.4
151.03917	1.3
153.01859	2.3
161.02385	3.9
163.03827	1.3
165.01831	1.2
166.99748	1.9
167.03461	1.1
168.00673	8.2
169.01437	37.2
177.03958	1.3
179.03458	2.3
183.02866	4.7
194.09338	4.3
195.10092	1.9
209.08028	1.0
209.11809	7.6
211.02486	4.8
221.07779	1.0
235.09612	3.1
253.06952	2.3
271.04495	1.6
300.02579	1.7
300.99820	1.4
301.03049	1.2
313.05347	3.3
357.15265	1.8
371.16901	2.5
383.12991	1.2
397.14651	3.8
415.15283	10.2
415.19775	3.7
439.08554	2.1
499.96448	1.3
506.26001	1.4
507.26788	1.6
508.15891	1.2
523.18195	10.5
549.16174	100.0
550.16498	12.7
557.77362	1.2
567.16614	38.5
568.17297	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01389	6.4
60.99310	6.1
61.98834	10.0
65.34756	0.5
67.01894	0.6
69.03455	0.6
69.41697	2.8
69.42105	1.2
71.01387	5.6
72.99318	1.5
73.02955	1.1
74.65229	0.5
79.01891	0.9
83.01395	1.6
85.02956	2.2
87.00893	0.9
88.98811	34.5
89.02453	2.6
95.01419	1.9
96.96031	4.4
97.02971	1.2
99.00878	0.5
101.02454	2.4
105.01948	1.7
107.01422	3.8
107.54971	0.5
109.02973	0.8
111.00903	2.6
111.04494	0.6
113.02470	2.4
117.03490	0.9
119.05049	0.9
121.02930	0.6
123.00903	12.9
123.04521	1.5
124.01672	2.2
125.02455	21.3
126.02780	0.7
127.00420	1.8
135.04529	1.2
136.98822	1.7
137.02478	1.0
139.00377	6.8
139.04044	0.5
140.01184	5.7
141.01952	1.4
145.02942	2.8
148.05310	2.4
151.00368	10.2
153.01961	1.5
154.05899	0.6
161.02441	1.0
163.03972	1.0
163.07710	0.8
163.11327	0.6
167.03470	0.5
168.00644	7.8
169.01431	31.4
170.01761	0.7
179.03537	1.9
181.05052	0.8
195.03069	0.7
211.02463	5.7
253.03514	0.6
255.05232	0.9
271.04611	5.2
297.06134	0.9
313.05658	3.1
477.14038	18.2
477.20959	0.9
478.14227	1.6
506.26898	1.8
507.27014	1.2
531.22430	1.9
566.05920	0.6
566.22876	1.3
567.24500	100.0
568.24780	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	566.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.6
59.30901	0.3
61.98837	100.0
70.45929	0.3
71.01393	2.4
73.02966	0.7
74.16097	0.3
79.38826	0.3
83.01429	0.5
85.02971	0.8
89.02481	0.9
95.01394	0.3
95.99451	0.3
96.96042	0.6
98.20664	0.6
101.02454	1.6
113.02486	1.5
125.02486	0.5
159.02921	0.5
161.04584	0.7
169.01494	0.7
235.41899	0.3
253.90132	0.4
277.77887	0.3
345.30258	0.4
498.83148	0.4
506.34149	3.0
507.35446	5.1
567.25671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45281	0.4
59.01381	2.8
61.98835	5.0
65.40326	0.3
69.53938	1.8
69.54346	0.9
71.01389	1.9
71.04993	0.4
73.02938	0.6
79.95760	0.7
83.01389	0.8
85.02953	1.3
87.00879	0.8
88.98759	0.5
89.02438	0.7
89.03989	0.7
92.98050	0.4
95.01387	0.7
96.96017	10.1
101.02442	1.3
106.69584	0.4
107.01404	1.1
107.05014	0.9
109.02971	0.6
111.00879	0.8
113.02460	0.8
116.92886	0.8
117.03484	2.1
119.05036	3.9
120.99649	2.3
121.02967	0.7
123.00878	2.7
125.02456	5.6
133.02853	0.5
134.03731	4.2
135.04535	100.0
136.04863	3.6
137.02411	0.9
139.00458	0.8
140.01097	0.5
145.02957	10.3
146.03323	0.5
151.00404	1.9
151.04118	0.5
161.02431	1.2
161.06129	0.6
163.04041	3.3
166.96558	0.5
167.79918	0.4
168.00687	1.1
169.01442	5.7
177.05536	0.4
179.03506	80.4
180.03850	3.2
197.95619	0.4
211.02490	1.7
241.00301	1.2
271.04691	1.7
273.07999	0.4
307.08191	4.2
308.08661	0.4
313.05557	0.9
387.03891	9.4
388.04422	0.8
415.12433	1.1
487.12476	11.7
487.19058	0.7
488.12808	1.6
567.08295	21.7
567.24585	20.4
568.08722	2.8
568.24420	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	565.39
Annotation	Furohyperforin
Peak:m/z	Relative Intensity
69.54201	2.1
69.54610	2.2
109.06586	1.6
111.04494	0.9
123.04549	1.8
134.03769	0.8
135.04543	1.9
136.69391	0.6
137.02432	0.8
140.31084	0.7
151.04024	4.3
152.04790	3.4
153.05574	3.5
165.01915	2.9
177.01910	1.0
179.03516	8.1
179.07080	0.9
180.04298	17.5
184.03816	0.8
193.05101	2.4
194.05891	6.6
207.06656	8.2
212.03267	1.4
221.08258	2.2
226.04823	1.2
235.09851	1.3
249.11363	3.0
250.12141	0.9
263.12967	3.5
264.13779	0.9
273.18408	0.9
277.14514	1.4
296.12595	0.8
317.17621	4.0
343.19128	2.5
357.20700	3.4
383.21924	3.6
397.23734	2.2
406.56467	0.7
411.25266	4.2
412.26288	3.5
415.28702	1.3
565.39056	100.0
566.39429	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	566.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06202	0.2
57.03446	0.5
57.32403	0.2
59.01391	0.7
61.98836	100.0
69.14590	0.2
69.35506	1.9
69.35897	0.4
71.01378	0.3
73.02956	0.2
85.02963	0.3
86.50111	0.2
89.02485	0.3
96.96043	0.3
100.48522	0.2
107.01357	0.2
116.92812	0.3
119.05075	0.2
123.00904	0.4
125.02476	0.8
135.04538	0.5
139.00424	0.3
151.00365	0.3
161.02438	0.2
165.05757	0.3
169.01413	0.9
170.01869	0.3
173.37419	0.2
179.03529	0.5
187.46454	0.2
195.06718	0.5
211.02452	0.3
301.00177	0.4
301.03287	0.4
430.90604	0.3
460.42548	0.3
478.76859	0.2
506.26312	0.3
566.16010	1.1
566.24225	0.5
567.21698	0.7
569.61700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
61.98834	100.0
62.33977	0.3
69.59730	0.8
69.60171	1.0
71.01391	0.7
73.02962	0.3
89.02460	0.4
96.96008	0.5
97.02911	0.3
101.02464	0.3
107.01333	0.4
113.02439	0.3
116.92863	0.3
123.00922	0.7
125.02456	1.1
126.02795	0.4
135.04553	0.8
140.01157	0.4
151.00429	0.4
153.51187	0.3
161.02376	0.3
169.01404	1.5
170.01836	0.4
179.03607	0.8
206.48859	0.3
211.02516	0.5
224.34348	0.2
271.04703	0.4
272.66925	0.3
274.75296	0.2
300.02820	0.3
566.16016	0.8
566.24725	1.2
567.24109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.6
59.30901	0.3
61.98837	100.0
70.45929	0.3
71.01393	2.4
73.02966	0.7
74.16097	0.3
79.38826	0.3
83.01429	0.5
85.02971	0.8
89.02481	0.9
95.01394	0.3
95.99451	0.3
96.96042	0.6
98.20664	0.6
101.02454	1.6
113.02486	1.5
125.02486	0.5
159.02921	0.5
161.04584	0.7
169.01494	0.7
235.41899	0.3
253.90132	0.4
277.77887	0.3
345.30258	0.4
498.83148	0.4
506.34149	3.0
507.35446	5.1
567.25671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31332	1.9
52.71456	1.7
53.07933	1.8
53.65266	1.6
55.01896	3.2
56.55084	1.6
57.03442	2.8
59.01384	56.1
61.98836	39.2
69.89264	10.0
71.01387	36.1
73.02952	8.3
75.00877	4.5
82.92336	1.8
83.01402	5.3
85.02950	18.1
86.08350	2.5
87.00883	3.6
89.02462	18.0
95.01383	4.5
96.96036	5.6
98.15118	1.9
99.00890	3.7
101.02441	30.8
113.02462	16.3
119.03526	8.6
123.00915	2.5
125.02438	7.2
134.03760	2.9
137.02405	2.9
143.03517	2.0
149.06053	4.2
151.00418	3.6
161.02451	4.5
161.04559	6.8
169.01360	5.9
171.13916	6.1
179.05681	3.4
187.34744	2.0
193.05063	28.4
202.79988	2.2
300.03012	3.1
343.28577	16.2
350.56653	1.9
436.44742	2.5
451.23563	2.6
505.33890	100.0
506.34219	11.7
565.10693	4.6
565.23187	7.3
565.30298	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	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87189	1.3
55.01886	1.9
57.03438	2.4
59.01096	2.6
59.01385	43.2
61.98833	62.4
69.43434	11.7
71.01388	31.0
72.99339	2.1
73.02954	10.9
75.00877	1.6
83.01395	6.4
85.02961	18.3
86.00059	1.4
87.00863	2.5
89.02482	8.5
92.64164	1.3
95.01377	3.8
96.95994	7.4
97.02943	2.7
98.20647	2.9
99.00884	3.3
101.02452	24.2
105.95732	1.4
111.00892	2.5
113.02474	14.3
119.03555	1.9
123.00882	1.8
123.04577	1.9
125.02435	6.2
129.01971	1.4
134.03674	1.6
140.01178	1.4
141.01959	2.0
143.03456	2.2
143.95770	1.3
153.01981	2.4
153.05647	3.4
159.02946	3.4
161.04597	12.0
168.00645	1.8
169.01469	9.1
171.13966	4.9
271.04620	3.4
300.03009	2.2
339.22049	1.3
343.28430	7.5
360.39709	1.5
368.45273	1.4
482.66840	1.4
505.33865	100.0
506.34149	13.6
565.23029	18.5
565.35358	2.0
566.23389	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	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49818	0.8
55.01869	3.8
57.03437	2.8
59.01381	36.1
60.20881	0.8
61.98832	13.6
69.43411	5.8
69.43822	2.2
71.01388	24.8
72.99314	1.0
73.02959	9.0
83.01398	6.0
85.02962	15.0
87.00858	1.1
89.02460	6.9
95.01391	3.2
96.96037	2.2
97.02938	1.1
99.00887	3.6
101.02451	21.7
111.00859	3.2
113.02454	11.4
119.03490	2.5
123.00879	2.4
123.04542	3.5
125.02450	5.0
134.85649	0.9
135.11807	1.0
139.00365	1.0
143.03473	1.5
147.73033	0.9
151.00363	1.7
151.05821	0.8
153.05573	4.5
153.09250	1.0
159.02986	2.7
159.29990	0.8
161.04567	7.7
168.00652	0.9
169.01501	4.8
170.01897	1.3
171.13889	4.9
181.12540	1.0
190.71431	0.9
227.07004	1.0
332.53146	0.9
343.28506	7.5
403.17563	2.7
410.45627	0.9
505.33862	100.0
506.34174	10.8
521.19073	3.6
565.22650	9.1
566.23468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85329	1.0
54.86425	0.9
57.03454	10.4
58.00596	2.2
58.72055	1.0
59.01380	45.4
59.24026	0.9
61.98831	9.9
63.02384	1.1
65.00320	4.6
69.03448	1.5
69.31224	1.7
69.31637	8.4
71.01386	34.4
72.99297	1.6
73.02958	6.9
81.03427	1.3
83.01388	6.3
85.02952	5.5
87.00869	4.9
89.02447	55.2
89.80628	1.1
93.03459	1.5
95.01381	2.8
95.05031	1.3
96.96006	3.3
97.02950	1.4
99.00871	1.6
99.04516	1.9
101.02449	25.2
107.01380	8.7
108.02160	1.8
109.02927	4.7
111.00874	1.6
113.02448	7.6
116.92863	2.0
117.05553	3.7
117.70850	1.0
119.03494	4.4
119.05018	2.3
121.02986	5.0
123.00859	3.0
123.04533	5.8
124.01701	2.2
125.02448	99.8
126.02802	3.0
128.63322	1.0
131.03500	23.7
133.02957	1.3
134.03735	1.6
135.04459	1.6
137.02435	5.4
139.04022	5.9
145.02888	1.3
149.02507	15.3
149.04556	54.5
150.03169	2.2
151.00374	32.4
151.03996	3.3
152.01192	4.8
153.01941	24.3
153.05548	2.9
160.01636	1.4
161.02440	6.8
163.00406	2.2
163.04025	2.3
165.01955	2.3
167.03474	2.1
169.01416	5.7
173.02417	1.2
174.01747	1.9
174.03137	2.5
175.00404	5.6
175.03993	16.1
175.06462	1.1
177.00473	1.8
177.01933	22.6
178.98405	1.7
178.99870	19.2
179.03378	1.6
179.05626	1.8
181.01427	10.2
185.06044	1.2
188.04787	3.0
189.05566	3.9
190.02710	1.2
191.03645	2.4
191.05592	12.2
193.04942	2.1
195.02974	1.2
199.04013	6.6
201.01822	2.7
202.99867	1.0
211.02422	1.5
212.40808	1.0
213.05634	1.6
216.04297	1.4
217.05075	8.0
229.01501	1.3
231.02849	1.6
231.06596	1.2
241.05211	5.7
243.03035	3.6
249.03679	1.1
251.07697	1.5
255.02969	9.7
257.04498	1.9
259.06094	3.7
271.02432	15.7
271.04944	1.9
275.02429	1.4
275.05600	19.5
285.04044	63.7
286.04300	4.8
293.08893	1.1
299.02536	1.5
299.05460	6.8
299.99423	1.9
300.02750	32.5
300.99716	3.6
301.03381	3.4
303.05099	100.0
304.05255	7.7
311.09778	1.9
327.05023	3.3
331.86038	1.1
403.11227	1.3
407.00427	2.1
413.10977	1.8
415.12436	2.1
424.00702	3.1
433.07675	2.0
441.10291	5.7
443.11749	5.4
456.87906	1.0
462.04501	1.2
502.20297	3.5
503.20938	1.9
505.14334	1.7
505.26593	14.2
506.26193	1.4
521.07062	1.9
537.16113	2.7
547.14343	1.3
565.11969	24.0
565.22412	10.2
566.12244	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	565.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98827	0.5
65.00320	0.7
70.47268	0.4
83.01434	0.7
87.43927	0.4
88.55553	0.4
98.19881	1.3
107.01405	1.3
108.02191	1.9
117.05582	1.1
121.02914	0.8
125.02450	0.8
135.00859	0.8
146.55363	0.5
148.01671	1.4
151.00391	5.2
153.01933	0.6
163.00414	0.8
164.01180	0.8
169.01361	0.5
178.75664	0.4
178.99908	2.8
180.29906	0.4
187.03943	0.5
192.00520	0.4
199.03903	1.0
211.04012	0.7
215.03531	0.7
216.04111	0.6
219.70946	0.4
226.02722	1.2
227.03532	2.1
243.03006	9.1
244.03543	0.8
254.02290	2.1
255.02992	23.5
256.03372	1.4
271.02487	50.7
272.02924	4.6
283.10864	0.7
285.04001	0.5
299.01886	1.7
300.02759	100.0
301.03345	13.0
302.04138	0.4
303.05350	0.5
408.19675	0.5
424.00790	2.1
502.20026	1.5
505.14606	0.8
521.07373	2.3
565.11981	72.0
566.12280	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	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87772	0.7
59.01385	16.3
60.53182	0.8
61.98824	2.3
69.31283	7.2
71.01390	1.6
79.87599	0.8
96.96027	1.0
101.02419	1.2
123.00803	0.9
125.02433	1.5
139.00385	0.9
151.00385	1.2
153.01917	1.4
153.05592	1.0
159.50429	0.7
169.01402	2.3
211.02534	1.8
232.84370	0.7
254.99319	2.0
269.98071	6.4
271.04706	1.3
285.00439	9.4
297.00427	1.0
297.97552	28.6
298.00955	1.4
298.98230	2.7
312.99908	56.7
314.00409	5.6
320.44611	0.8
327.01434	1.5
328.02237	59.9
329.02963	10.8
338.00650	1.2
343.04590	100.0
344.04910	7.4
353.03018	2.7
403.17334	1.3
413.14328	0.8
468.08917	1.4
565.23053	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
60.13624	0.3
61.98829	0.5
65.00324	0.4
69.28001	2.7
71.01368	0.5
81.02761	0.3
83.01394	0.5
84.01019	0.3
89.02443	0.6
98.20756	0.5
107.01404	1.3
108.02184	1.3
112.09515	0.3
124.01766	0.4
135.00917	0.8
148.01662	0.7
151.00389	4.0
152.00951	0.3
161.94489	0.3
163.00380	0.9
164.01138	0.5
169.01357	0.3
178.99873	5.4
182.75670	0.3
192.00639	0.5
199.04074	0.4
215.03535	0.6
216.04308	0.4
226.02782	0.9
227.03467	2.0
243.03003	7.8
244.03218	0.4
254.02193	1.8
255.03003	20.5
256.03384	1.2
271.02493	45.4
272.02969	4.1
299.02087	1.2
300.02762	100.0
301.03268	10.3
373.22382	0.3
406.35486	0.4
415.06815	0.8
433.07928	0.4
473.55655	0.3
517.55548	0.4
547.10358	0.4
565.12006	56.6
566.12482	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	563.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86871	0.3
58.64211	0.3
59.01385	100.0
60.01738	0.5
61.30036	0.3
61.98834	1.2
65.56821	0.3
71.37561	0.6
80.52926	0.3
94.38185	0.3
96.96022	1.0
108.20199	0.3
110.21485	0.3
141.02238	0.3
145.96628	0.3
228.19746	0.3
228.91518	0.3
250.47815	0.3
270.31976	0.3
334.97803	0.3
409.31375	1.2
411.72400	0.3
441.34064	0.8
503.33899	3.9
563.28516	0.5
563.36090	5.8
564.36395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37620	0.2
54.57756	0.3
59.01384	1.8
61.98836	100.0
69.52460	1.5
69.52868	0.6
71.01385	1.1
73.01825	0.3
80.29109	0.3
85.02962	0.4
87.54593	0.3
89.02463	1.7
90.02815	0.3
98.19894	0.4
101.02460	0.9
131.03526	0.5
149.04576	0.7
151.00369	0.4
156.84633	0.3
169.01402	0.5
250.42802	0.3
255.03018	0.4
271.02628	1.2
299.99222	1.0
300.02887	2.3
300.99646	1.7
302.00412	0.9
505.26874	1.5
564.10651	1.5
564.24286	0.4
565.12244	1.1
565.19958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0484
Annotation	UDPglucose
Peak:m/z	Relative Intensity
59.01376	1.1
60.20496	0.5
62.96405	1.1
67.42262	0.4
69.07272	0.4
70.91930	0.9
71.01369	1.1
78.95910	100.0
79.95716	0.4
85.02956	2.3
87.00880	1.9
92.05074	0.4
96.96045	7.7
96.96967	35.7
97.02927	1.2
98.95615	0.5
103.04027	0.4
111.02013	8.6
113.02471	1.5
120.96964	1.5
138.98033	3.2
150.98032	2.5
158.92549	15.1
164.03519	0.6
174.97997	1.0
175.02499	1.0
176.93629	1.2
192.99055	1.3
211.00110	4.6
217.03439	1.1
241.01178	7.2
260.10287	0.5
272.95758	3.8
280.02222	1.9
305.01657	1.0
305.96317	0.4
320.97818	2.5
323.02866	60.2
324.03262	2.6
326.48044	0.4
366.12952	0.6
381.10397	0.5
384.98557	4.6
402.99338	1.6
422.82086	0.9
564.50720	0.4
565.04150	19.6
565.11169	3.0
566.04871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.65689	1.2
57.03442	2.5
58.00593	2.0
59.01386	35.2
61.98832	3.6
67.08362	0.9
71.01389	37.1
72.99304	1.9
73.02953	11.5
75.05550	1.0
76.09235	0.9
77.98112	1.2
83.01402	8.7
85.02960	12.4
87.00883	2.6
89.02458	25.2
91.66749	1.1
95.01390	2.0
97.02969	3.1
98.19849	2.2
99.00908	2.9
101.02462	26.1
111.00874	3.7
112.71497	1.1
113.02464	9.9
114.93417	1.6
119.03492	2.1
123.23510	1.0
125.02464	3.2
131.03511	10.3
135.84421	1.2
143.03539	1.6
149.04582	7.5
160.63936	1.1
161.04530	5.8
169.01483	1.7
191.05576	2.3
209.15465	2.0
233.06613	3.3
293.08817	2.3
353.19519	1.5
358.06671	1.1
371.20798	15.7
503.25037	100.0
504.25372	12.8
563.11060	1.1
563.20465	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46695	1.1
55.01881	2.0
55.36448	1.1
55.47439	1.1
57.03442	2.3
59.01385	46.3
61.98830	15.4
64.10274	1.1
65.65278	1.0
69.28321	12.4
71.01390	36.1
72.99316	2.5
73.02952	8.4
83.01392	4.7
85.02943	9.4
87.00888	2.9
89.02450	25.9
95.01404	1.5
96.96022	3.8
97.02978	1.8
98.19873	2.0
99.00886	3.6
101.01860	1.9
101.02459	20.8
111.00883	2.2
113.02452	10.0
119.03504	4.9
123.00893	1.4
123.04517	1.4
124.01697	1.4
125.02454	13.9
131.03506	15.9
132.02141	2.4
134.03708	1.5
141.65355	1.1
143.03525	1.8
149.04562	5.6
151.00366	2.6
153.05695	1.1
160.01639	8.7
161.04535	5.9
168.00687	1.9
169.01453	15.4
175.04004	8.6
177.02008	1.1
185.14722	1.4
191.05634	2.1
193.05022	2.7
211.02463	2.0
259.44080	1.2
271.04553	2.0
331.06696	3.8
337.09384	1.7
371.20782	19.2
372.20667	1.8
501.23111	3.3
503.24997	100.0
504.25317	9.6
514.09637	1.2
563.25598	6.4
564.24408	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	563.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96004	0.9
58.00604	1.7
59.01380	19.0
61.98843	18.9
67.01880	2.5
69.03461	2.3
71.01391	17.9
71.05035	1.4
72.99313	1.9
73.02947	3.0
79.01913	3.2
81.03462	1.1
83.01404	3.1
85.02964	6.4
89.02464	7.3
93.03455	1.3
95.01406	4.1
96.96027	3.4
97.02957	1.9
99.00887	1.2
99.04543	1.1
100.28603	0.9
101.02450	8.8
107.01387	11.6
107.05096	1.8
109.02967	1.1
111.00879	3.3
113.02457	6.1
123.00897	36.8
123.04500	2.7
124.01728	2.5
125.02461	55.2
126.02837	1.1
131.03531	1.3
133.76080	1.0
136.98761	1.6
137.02484	2.7
137.06052	1.6
139.00395	9.4
140.01152	2.1
141.01952	4.3
147.04521	1.0
149.04543	2.1
150.06837	5.1
151.00383	25.3
151.04088	1.7
151.07637	1.6
153.01938	2.7
160.01718	1.6
161.04597	2.4
161.09712	1.9
161.13412	6.7
165.01923	1.3
165.05630	1.3
167.03500	1.7
168.00710	5.0
169.01437	85.8
169.05087	2.5
170.01793	1.8
175.03996	2.4
176.03549	2.0
179.10770	1.6
181.01421	1.8
185.13420	3.8
187.11281	12.2
193.01402	2.1
193.05019	1.1
203.14549	1.5
205.12434	6.0
211.02470	13.6
219.13846	2.5
229.12303	5.4
247.13405	1.6
249.11285	5.2
253.03571	2.2
271.04498	2.0
290.76389	1.0
313.05661	5.8
314.00754	1.4
316.31369	0.9
331.06732	4.6
344.15469	1.0
351.14526	6.9
373.25797	1.7
401.15839	2.3
411.16663	11.7
430.09131	2.4
452.08017	1.2
503.32483	3.4
510.06766	1.1
519.18713	100.0
520.18945	14.3
545.16583	2.3
563.17188	23.1
563.34381	3.4
564.18976	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	563.1408
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01380	2.4
60.99300	1.7
61.98824	1.6
65.00338	0.5
69.57092	4.0
76.64928	0.5
77.41154	0.5
88.77331	0.6
88.98810	7.4
89.02433	1.8
101.02425	1.0
107.01398	1.8
113.02488	1.0
117.03477	2.4
123.00903	1.7
125.02451	2.1
132.02187	1.1
135.00949	0.8
139.00403	0.7
145.02972	4.9
149.04630	0.6
151.00381	3.9
161.02431	0.6
163.00356	1.1
163.04018	1.1
168.00584	0.7
169.01431	2.0
178.99956	0.7
183.04459	0.9
190.99837	0.6
199.04089	0.7
211.04007	1.1
213.05646	0.7
227.03505	31.4
228.03925	2.0
229.04987	1.9
239.03384	0.8
246.92195	0.6
255.02998	72.3
256.03546	6.8
257.04504	1.6
283.02472	1.4
284.03275	100.0
285.03943	15.3
300.02759	1.2
318.42441	0.6
336.23169	0.6
401.56161	0.6
413.08942	1.4
473.20233	7.9
477.10330	0.6
503.24979	1.1
525.23505	3.4
527.23749	0.7
551.44720	0.6
563.14050	81.7
563.21027	4.3
564.14465	9.3
564.22546	1.1
567.72461	0.6
583.61450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32037	0.9
55.01873	1.2
59.01369	3.1
69.03460	1.2
71.01383	5.9
71.14814	2.1
72.99315	1.8
73.02953	5.0
83.01381	2.1
85.02950	4.7
87.00883	28.4
89.02467	1.7
95.01395	4.9
96.96027	8.2
97.02997	1.3
99.00858	5.2
101.02435	3.8
111.00871	5.2
112.95200	0.9
112.98807	7.8
113.02460	1.4
115.00368	1.8
116.92867	7.4
117.01974	1.8
123.00894	7.3
125.02407	3.1
129.01950	3.8
131.03540	1.6
133.02980	0.9
138.03212	5.1
142.99860	5.9
145.01418	2.9
147.03024	1.3
149.02397	2.2
151.00404	1.4
151.04080	1.4
153.05583	7.3
154.21434	1.0
161.02472	8.8
163.03990	8.3
164.04752	4.3
166.02693	3.6
169.01456	2.8
173.00931	34.9
173.02309	1.3
174.01653	8.3
174.03072	1.9
175.02583	1.1
175.04013	3.4
176.04779	6.3
177.01868	2.1
178.06334	9.1
179.03532	12.3
179.05034	1.4
179.05661	1.5
179.07092	9.8
181.05058	5.4
185.02609	1.2
189.01872	1.0
189.05597	2.0
190.02675	1.8
191.03517	7.8
191.07114	4.1
193.05002	1.0
193.08725	11.8
194.05850	10.9
201.02010	1.5
203.03485	3.8
204.04105	1.1
205.05112	3.9
206.05823	5.7
207.02925	1.3
207.06560	1.9
209.08218	15.2
210.08516	1.1
217.01375	1.2
218.02202	1.1
218.05838	1.9
219.02917	5.0
220.07317	1.2
221.04465	1.1
221.08246	6.3
229.01428	3.0
231.02805	1.8
233.04721	1.3
233.07941	1.4
234.05275	4.6
235.06100	1.3
237.07669	1.6
245.04483	1.3
246.05119	1.3
247.02464	6.5
247.06015	2.6
249.04070	3.2
249.07660	9.3
250.04651	1.1
252.58096	0.9
261.04047	4.1
262.04840	13.0
265.07129	11.6
273.00443	1.1
275.01965	3.8
276.06430	3.4
277.07193	29.9
278.07489	1.2
291.08734	3.2
295.08182	2.5
300.99927	8.8
302.00122	2.6
307.67590	1.0
309.09653	1.5
325.09460	1.3
337.09332	36.6
338.09564	1.5
340.97845	2.4
379.74469	1.2
382.98947	2.8
383.09991	3.1
427.12393	4.2
439.12485	1.7
457.13776	1.7
465.12485	1.5
563.16180	100.0
564.16632	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	563.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36243	0.3
59.01375	0.3
60.48852	0.3
60.93302	0.3
69.65652	1.7
71.01382	0.7
85.98130	0.3
96.96063	0.3
99.92590	9.9
100.92603	0.5
101.02438	0.3
116.92868	100.0
116.98312	0.5
117.92882	3.4
123.00903	0.6
125.02465	1.6
151.00462	0.4
169.01431	1.6
169.55528	0.3
181.08647	0.2
219.68280	0.3
271.04703	0.3
299.36218	0.3
300.99875	0.8
302.00217	0.3
313.05609	0.6
414.51083	0.3
444.65988	0.3
445.09802	3.5
466.63593	0.3
527.01239	2.3
527.14160	0.3
545.03107	0.3
545.12708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26199	0.5
59.01379	2.4
61.98830	1.1
65.00329	0.7
67.01888	0.9
69.03452	1.1
69.74836	2.8
71.01388	3.7
81.03460	1.0
83.01368	1.5
85.02958	1.3
89.02423	1.0
91.05563	0.7
95.01402	1.3
95.05034	3.1
96.96005	2.0
97.02981	0.7
98.20633	0.6
101.02438	1.3
107.01389	7.2
109.02962	2.1
111.00881	1.4
113.02475	1.3
116.92826	1.5
119.05037	4.9
121.02943	1.9
123.00896	6.3
123.04475	0.7
124.01673	1.0
125.02451	42.1
126.02779	0.6
127.00362	0.8
133.02921	1.3
133.06596	1.3
135.00880	0.7
135.04526	1.9
137.02414	1.0
137.06093	2.5
139.00410	2.7
139.04059	0.6
140.01158	1.1
141.01929	0.7
149.02441	0.8
151.00377	8.3
153.01929	0.9
159.04480	0.8
161.02426	1.5
161.06093	2.8
163.04018	4.5
166.14645	0.5
167.03500	0.9
168.00626	2.2
169.01436	56.2
170.01764	1.7
171.38878	0.5
175.03990	1.1
177.01933	13.3
177.05502	4.0
179.03450	0.7
187.04080	4.8
188.04510	0.7
190.02690	1.6
193.23058	0.5
203.03549	1.4
205.05061	47.5
206.05434	1.6
209.45285	0.6
211.02438	2.4
223.02380	0.5
231.02995	4.4
232.03419	0.6
241.03494	1.2
249.04044	27.6
250.04410	1.5
275.01816	0.8
301.00015	1.1
313.05646	28.1
314.05899	1.2
357.06009	0.7
369.26300	0.5
407.93973	0.6
411.09286	2.7
519.11035	0.8
545.09253	6.4
546.09155	0.7
563.10382	100.0
564.10779	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	561.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.5
58.00588	0.9
59.01387	31.1
61.98838	26.2
68.16684	0.9
71.01389	14.3
72.99316	4.9
73.02960	3.7
75.00880	13.4
75.09315	0.9
78.95882	2.5
83.01396	2.1
85.02948	15.9
87.00888	5.3
87.04520	4.5
89.02441	6.4
95.01395	3.1
96.96027	5.4
99.00887	6.0
101.02443	5.9
103.00388	2.1
106.06681	1.6
113.02454	17.5
115.00393	1.2
117.01986	1.3
117.03486	2.3
119.03493	1.6
119.97257	1.0
125.02482	6.1
127.11285	1.0
137.02554	1.4
145.02968	6.9
153.05574	1.7
161.04619	2.2
163.04013	2.7
169.01437	2.0
171.10362	6.3
175.02563	1.4
193.05125	1.2
197.11795	2.0
201.11337	6.6
223.17061	15.4
235.17131	1.8
249.06180	7.5
267.07077	2.4
275.20190	3.2
293.21222	2.2
311.22308	21.8
331.06955	1.0
391.33844	1.1
399.31284	1.6
501.26651	1.2
501.32291	1.2
543.28387	1.8
561.29181	100.0
562.29456	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	561.3217
Annotation	12,34-Oxamanzamine E
Peak:m/z	Relative Intensity
51.18493	0.8
61.75101	0.9
66.02818	0.8
68.96205	0.8
69.25735	0.9
69.26070	9.1
75.97963	0.9
88.28130	0.7
92.92632	0.8
93.39616	0.8
107.05022	4.4
108.02178	3.8
114.81857	0.9
121.02949	1.2
121.06610	3.5
123.04530	7.6
127.49209	0.9
134.03755	18.3
135.04504	0.9
137.06097	1.2
138.03217	1.7
139.03979	2.3
147.04539	1.3
148.05258	0.8
149.02441	1.9
149.06097	8.9
149.77556	0.8
151.04004	13.3
160.84192	3.9
162.83917	4.4
163.04019	1.2
164.04776	1.0
165.01944	2.0
165.05594	10.7
166.02679	2.8
177.01898	2.1
177.05615	1.0
180.04315	1.5
188.04724	1.4
190.37152	1.0
191.03503	2.4
193.04979	1.5
205.12473	0.9
219.06580	2.8
241.08612	1.1
301.21649	2.1
355.19244	0.9
381.27994	3.0
393.24573	1.2
399.25522	2.5
404.82251	0.9
409.24042	1.0
411.25400	40.1
412.25818	3.8
425.21396	1.5
425.26990	22.1
426.27060	1.9
437.26788	1.4
499.39978	0.9
561.32208	100.0
562.32593	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	561.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57442	0.3
57.03453	0.5
59.01382	100.0
59.33923	0.4
60.01712	0.6
61.98832	1.8
68.98895	0.4
68.99598	0.5
71.01407	0.5
71.59824	0.5
72.86591	0.4
79.95753	0.5
89.02484	0.4
96.96022	3.7
105.78416	0.4
121.92229	0.5
125.02447	2.9
126.90463	0.9
153.05569	0.8
235.73410	0.4
251.09145	2.0
261.30908	0.4
275.09299	0.7
303.10422	0.4
332.07144	0.4
391.21710	1.1
469.29706	0.5
501.32236	7.9
502.32748	1.0
517.28381	0.7
561.27045	2.4
561.34631	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	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19386	1.1
58.00591	4.4
59.01384	84.4
61.98830	3.4
69.69534	6.7
71.01387	52.4
72.99294	1.7
73.02969	6.4
83.01379	2.6
85.02962	6.0
87.00864	2.1
89.02450	100.0
90.89746	1.1
98.10127	1.1
99.00881	4.5
101.02455	40.4
113.02461	8.5
117.05622	1.4
119.03525	7.4
125.02431	1.7
129.01958	2.4
131.02519	2.5
131.03510	51.4
149.04559	82.0
191.05621	31.5
221.06642	3.6
251.07738	2.5
281.08606	2.0
284.57349	1.1
293.08682	1.2
311.09952	1.6
319.48416	1.1
377.52722	1.3
389.82645	1.2
465.14600	1.2
480.00385	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	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50058	1.1
58.00599	3.1
59.01381	74.2
61.39942	1.3
71.01387	53.9
72.84342	1.3
72.99277	2.1
73.02949	6.4
78.47312	1.1
83.01395	1.7
85.02947	6.2
87.00879	3.3
89.02448	100.0
101.02451	39.3
113.02442	7.7
119.03482	6.5
125.02466	1.5
131.03514	31.8
133.43611	1.4
137.09709	2.8
149.04570	84.4
161.04688	1.8
191.05640	15.9
220.75558	1.3
254.42944	1.2
295.90030	1.3
311.09573	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77367	0.8
59.01371	2.8
65.00332	2.0
68.99812	1.2
69.80919	1.3
69.81322	4.0
71.01388	1.3
72.99307	1.7
75.00880	21.2
82.50935	0.9
83.01396	0.8
88.81448	0.8
89.02435	3.2
91.01881	1.0
93.03421	1.0
95.01402	0.8
98.20566	1.7
107.52195	0.8
108.02213	0.9
109.02947	2.1
117.01929	1.5
119.01477	1.4
125.02467	1.4
129.41695	0.8
135.00856	1.5
135.03014	43.7
136.01642	1.5
137.02464	7.6
147.24977	0.8
148.01665	1.1
149.02451	1.1
163.00394	7.4
164.01067	1.1
167.41693	0.8
176.01178	4.3
178.99902	0.9
189.01965	1.5
189.99088	1.9
190.02654	1.1
190.76428	0.9
190.99844	2.8
192.00641	2.3
207.02942	0.9
218.02086	1.4
303.23236	3.8
369.24246	1.7
381.24152	0.9
383.22205	1.1
384.76035	0.9
387.25357	3.6
397.23828	18.8
398.24188	2.6
399.25479	3.6
411.25232	1.9
413.23230	21.1
414.23712	2.3
415.24973	11.7
416.25269	1.1
425.23358	100.0
426.23743	11.9
427.24756	2.9
439.24844	2.3
441.22540	4.7
443.24353	12.9
444.24609	1.5
452.65231	1.1
469.26266	2.0
471.23239	5.1
499.26898	1.4
517.28345	1.3
561.27661	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2346
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
55.01871	0.9
57.03440	1.0
57.27361	1.0
59.01385	20.6
61.61968	1.0
61.98521	2.0
61.98837	33.1
69.03480	0.9
70.09605	3.6
70.09967	1.7
71.01392	10.7
72.99308	2.8
73.02964	2.9
75.00917	1.1
79.82392	0.9
82.95413	3.3
85.02956	3.2
87.00906	1.0
88.98804	2.3
89.02451	7.6
96.49610	0.9
96.96001	6.7
96.96935	1.2
99.00878	0.9
101.02470	5.3
112.61142	1.1
113.02440	3.6
117.03473	2.6
119.03525	2.2
119.05062	2.1
123.04543	15.4
123.08141	1.7
125.02441	4.0
131.03517	1.9
131.07121	1.0
132.02182	19.3
133.02934	3.2
134.03758	38.4
135.04491	4.2
136.05312	0.9
137.02425	2.1
138.03151	0.9
138.06900	1.9
139.04015	1.2
141.09219	1.0
144.57936	1.0
145.02965	2.2
147.04518	2.0
149.06088	4.0
151.00383	1.8
151.07660	1.7
152.08429	1.9
153.05583	21.5
153.09215	3.6
154.05977	1.2
160.01674	96.2
161.02150	2.8
161.04581	1.6
161.06076	0.9
163.04034	1.5
163.11258	1.2
166.11945	1.1
169.01477	2.0
171.21463	0.9
175.04018	98.2
176.04706	5.0
178.02676	1.4
179.03519	3.6
179.05627	1.5
191.05624	1.0
191.07155	4.1
193.05072	52.7
194.05377	1.5
205.12323	4.0
207.06653	1.7
223.13393	1.1
235.06104	8.0
253.96838	0.8
263.12848	2.2
265.07257	2.4
271.02420	2.1
282.22815	1.1
295.08365	2.9
295.20135	1.0
299.99521	1.0
300.02759	4.2
301.03494	2.3
315.11014	2.1
315.83231	1.0
337.09302	2.7
369.19305	2.1
369.23938	1.1
463.08914	4.0
473.35696	1.8
498.21429	1.1
499.18207	1.3
501.23456	6.1
501.30643	2.7
561.23492	100.0
561.31726	5.5
562.23975	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	561.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81543	1.5
57.03456	7.2
58.00589	1.4
59.01384	41.5
61.98838	51.0
65.82044	1.6
69.03473	2.6
71.01388	23.0
71.62117	3.1
72.99334	5.0
73.02951	7.5
79.95749	2.7
83.01405	3.2
85.02976	8.5
87.00867	3.7
89.02453	22.0
93.25735	1.5
95.01389	1.5
95.05058	1.8
96.96031	11.0
97.02955	2.8
97.06625	3.0
99.00944	2.0
101.02455	16.0
101.06087	1.7
109.06585	1.8
111.00823	1.8
113.02446	7.3
114.14827	1.6
117.03418	3.6
117.05592	1.6
119.03535	1.9
119.05035	2.1
123.00927	3.0
123.04549	5.3
123.08163	3.2
125.02490	10.4
131.03526	7.1
132.02176	21.2
133.02931	3.5
133.06392	1.5
134.03755	29.2
137.02470	3.3
139.00429	2.2
139.04048	1.7
141.09195	4.5
145.02979	3.7
147.08130	2.0
149.04570	13.2
149.06079	5.7
151.00407	2.2
151.04025	2.6
151.11226	2.9
153.09232	2.9
160.01671	96.8
161.02167	3.7
161.04555	4.4
161.09700	3.0
163.11252	3.6
168.00658	2.4
169.01453	10.0
171.10268	2.8
172.70094	1.4
175.04010	100.0
176.04486	3.7
178.02737	2.6
179.03465	1.8
179.10780	14.7
187.11288	5.6
191.05597	3.7
191.07191	3.1
193.01515	1.5
193.05061	40.4
197.11844	2.0
198.52052	1.4
203.10822	1.8
205.12375	15.6
209.11812	9.0
211.02472	2.8
223.13315	3.4
235.06114	5.5
246.01813	1.9
253.09454	2.5
264.37149	1.4
271.04568	4.1
289.07162	4.5
295.08121	3.1
307.19119	4.3
325.20126	4.6
330.00006	1.8
331.00894	3.5
334.60547	1.6
337.09317	52.0
338.09714	2.8
397.11270	2.1
428.07510	4.5
473.34808	6.7
481.18399	2.5
498.20691	7.7
499.18378	5.3
499.32516	2.2
501.23141	2.9
517.20929	31.1
518.20996	3.5
543.22186	16.0
544.22943	2.0
561.13379	8.9
561.23419	47.3
561.32349	9.3
562.23621	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	561.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94460	2.6
57.03450	4.7
59.01382	52.8
61.98835	59.9
71.01389	36.6
71.05017	3.1
71.28025	2.8
71.61007	3.2
72.99330	7.8
73.02962	7.7
74.20938	2.3
75.00848	4.6
83.01398	5.7
85.02962	13.9
87.00884	7.8
87.04556	2.8
89.02451	29.0
95.01402	4.3
96.96001	13.9
99.04522	2.8
101.02446	19.4
103.04057	2.8
107.01387	3.2
109.02962	4.7
113.02445	10.1
117.03406	4.8
117.05586	5.5
119.03506	8.3
123.00883	5.5
123.04565	3.2
123.08129	3.0
125.02454	21.9
131.03528	7.4
131.07123	3.6
132.02191	20.1
133.02943	6.0
134.03754	67.7
135.04539	13.6
137.02457	7.0
139.00420	4.3
139.03990	5.4
141.09239	7.7
145.02966	7.2
147.04539	7.3
148.05318	4.7
149.04584	7.0
149.06119	15.4
151.00412	4.2
153.05492	3.1
154.36435	2.9
155.10970	2.4
160.01674	93.9
161.02408	3.3
161.04584	5.2
163.04001	4.9
166.25871	2.7
169.01443	22.7
171.02013	3.8
173.06096	3.1
175.04021	100.0
176.04797	21.2
177.01959	4.1
178.02687	10.7
179.03490	8.0
179.05672	2.9
191.07118	34.8
192.04315	3.8
193.05051	87.2
193.06772	5.2
194.05348	2.8
207.06685	9.6
209.11874	3.6
211.02574	3.5
217.05200	3.4
220.03758	4.9
235.06126	86.0
236.06418	5.5
243.62239	2.6
255.03043	3.4
265.07159	51.2
271.02386	5.8
281.06772	3.1
295.08255	81.8
296.08530	5.9
300.02747	10.7
301.00107	2.8
301.03394	6.8
324.59805	2.7
328.22137	2.9
331.06677	5.0
355.10464	7.7
401.11249	2.7
403.78110	3.1
463.08670	11.2
473.34875	7.9
498.20834	3.0
499.22064	6.2
501.23239	6.0
517.20630	26.2
543.22437	23.4
543.31268	5.2
561.14398	3.8
561.23596	8.2
561.32257	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	559.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27125	0.5
59.01374	2.6
61.98826	1.2
63.02414	0.7
65.00334	3.1
68.99821	1.1
69.73833	2.4
69.74235	1.2
71.01366	0.8
72.99317	2.6
75.00449	1.2
75.00878	22.0
81.03462	1.3
83.01405	1.3
88.32549	0.5
89.02460	4.3
89.75387	0.5
93.03453	1.1
95.01377	1.1
95.05065	0.6
108.02197	0.6
109.02939	2.7
117.01932	1.0
117.85650	0.5
121.02949	0.9
123.00998	0.8
125.02457	1.3
134.03720	0.9
135.00885	3.4
135.03011	45.0
136.01656	1.7
136.03348	0.5
136.78107	0.6
137.02448	7.5
137.22858	0.5
148.01617	0.8
149.02475	0.9
151.00395	0.8
152.01166	0.5
153.01938	0.6
161.02417	0.6
163.00389	8.5
164.01144	0.8
165.01874	1.1
176.01172	3.5
177.02032	1.3
178.99942	1.4
189.01906	1.4
189.99107	1.8
190.02715	1.1
190.99940	3.1
191.03496	0.7
192.00595	2.4
193.01404	0.8
202.99899	0.7
217.01396	0.7
218.02179	1.7
295.23505	0.6
301.21701	2.4
341.24884	0.9
367.22812	1.1
385.23917	2.5
395.16974	0.7
395.22305	20.1
396.22495	1.7
397.23904	2.6
409.23682	1.5
411.21722	22.7
412.22076	2.3
413.23380	13.0
414.23721	1.9
423.21790	100.0
424.22131	10.2
425.23505	3.3
427.24805	0.7
437.23160	3.3
439.21356	2.6
441.22842	15.1
442.23206	1.3
453.22366	0.8
467.24496	2.1
469.22137	5.8
470.22949	0.8
497.25549	1.2
513.24823	1.1
514.26660	0.7
515.26569	1.4
559.25793	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	561.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94460	2.6
57.03450	4.7
59.01382	52.8
61.98835	59.9
71.01389	36.6
71.05017	3.1
71.28025	2.8
71.61007	3.2
72.99330	7.8
73.02962	7.7
74.20938	2.3
75.00848	4.6
83.01398	5.7
85.02962	13.9
87.00884	7.8
87.04556	2.8
89.02451	29.0
95.01402	4.3
96.96001	13.9
99.04522	2.8
101.02446	19.4
103.04057	2.8
107.01387	3.2
109.02962	4.7
113.02445	10.1
117.03406	4.8
117.05586	5.5
119.03506	8.3
123.00883	5.5
123.04565	3.2
123.08129	3.0
125.02454	21.9
131.03528	7.4
131.07123	3.6
132.02191	20.1
133.02943	6.0
134.03754	67.7
135.04539	13.6
137.02457	7.0
139.00420	4.3
139.03990	5.4
141.09239	7.7
145.02966	7.2
147.04539	7.3
148.05318	4.7
149.04584	7.0
149.06119	15.4
151.00412	4.2
153.05492	3.1
154.36435	2.9
155.10970	2.4
160.01674	93.9
161.02408	3.3
161.04584	5.2
163.04001	4.9
166.25871	2.7
169.01443	22.7
171.02013	3.8
173.06096	3.1
175.04021	100.0
176.04797	21.2
177.01959	4.1
178.02687	10.7
179.03490	8.0
179.05672	2.9
191.07118	34.8
192.04315	3.8
193.05051	87.2
193.06772	5.2
194.05348	2.8
207.06685	9.6
209.11874	3.6
211.02574	3.5
217.05200	3.4
220.03758	4.9
235.06126	86.0
236.06418	5.5
243.62239	2.6
255.03043	3.4
265.07159	51.2
271.02386	5.8
281.06772	3.1
295.08255	81.8
296.08530	5.9
300.02747	10.7
301.00107	2.8
301.03394	6.8
324.59805	2.7
328.22137	2.9
331.06677	5.0
355.10464	7.7
401.11249	2.7
403.78110	3.1
463.08670	11.2
473.34875	7.9
498.20834	3.0
499.22064	6.2
501.23239	6.0
517.20630	26.2
543.22437	23.4
543.31268	5.2
561.14398	3.8
561.23596	8.2
561.32257	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	559.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72343	0.9
52.54138	0.7
54.57681	0.8
59.01384	8.2
61.98814	1.9
63.96240	1.3
71.01388	8.6
71.60433	1.6
72.99313	1.0
73.02945	2.1
78.98595	3.3
79.95737	8.2
80.96523	50.3
81.03455	0.9
82.87046	0.8
83.01392	1.1
83.65611	0.9
85.02953	3.1
87.00854	1.7
88.98809	1.3
89.02453	4.9
94.98094	11.8
95.01417	1.3
96.96000	2.8
97.02928	2.3
101.02450	4.9
106.98095	2.4
107.01401	1.8
111.00851	1.8
113.02439	1.9
119.03509	1.5
120.99658	1.0
122.97599	4.0
123.00906	1.8
125.02453	9.3
134.97578	2.8
139.00401	1.1
148.99109	4.3
149.04587	2.0
151.00345	2.0
152.98599	5.7
159.02855	1.0
161.02357	1.2
164.98619	8.4
168.00662	1.6
169.01442	7.5
182.99646	2.1
205.18877	1.0
206.99716	2.4
209.11800	3.1
211.02496	1.5
225.00729	13.5
230.41197	1.0
243.01793	2.4
271.04642	1.3
299.04507	2.4
300.99774	1.1
377.08694	2.5
407.19199	3.4
469.16519	1.1
499.18073	1.8
527.18115	1.4
541.19275	2.3
559.20599	100.0
560.20923	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	559.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57060	0.9
57.03448	1.1
58.00584	2.8
59.01382	87.6
59.87442	1.1
61.98816	3.4
71.01388	60.5
71.60665	2.1
72.01734	1.4
72.99303	5.3
73.02951	5.8
80.96526	3.0
83.01389	3.8
85.02959	9.1
87.00866	2.5
88.98774	1.1
89.02451	100.0
93.03426	1.5
95.82379	0.9
96.96005	4.5
99.00891	6.1
99.01451	0.9
101.02454	41.9
107.01377	1.3
111.00892	1.1
113.02464	10.8
116.92854	4.3
119.03513	6.7
119.05022	1.2
121.02964	1.1
123.00909	2.2
125.02458	8.6
129.01942	2.3
131.03519	56.8
132.03795	1.2
135.04524	2.4
139.00366	1.7
143.03525	1.4
147.17725	1.0
149.04573	85.7
150.04814	1.1
151.00400	2.0
151.03902	1.1
156.71782	0.9
161.02333	1.2
161.04453	1.2
162.05650	1.7
163.03951	2.4
165.05603	1.8
167.03442	1.2
167.07098	2.7
168.00676	1.3
169.01448	8.4
173.04507	1.2
181.05019	2.9
191.05627	31.9
195.06567	1.1
211.02444	1.5
221.06531	4.9
251.07674	3.4
263.70276	1.2
271.04868	1.3
275.01950	2.0
281.08798	2.3
281.89914	1.0
299.99136	2.6
300.99875	5.8
301.99673	1.8
311.09778	3.4
315.01620	2.3
317.01990	1.2
390.78717	1.1
471.13913	1.9
479.15601	1.1
496.15451	3.4
497.16449	1.4
559.24188	10.1
560.24103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08788	1.0
57.03430	1.3
58.17908	1.1
59.01384	4.7
61.98843	14.2
67.01920	1.5
69.33097	9.5
71.01398	4.8
72.99324	1.4
73.02963	1.6
76.85331	1.1
79.01902	1.7
83.01407	1.7
85.02963	2.7
87.00902	1.6
95.01411	2.8
96.96000	1.8
97.02953	1.3
98.20570	2.2
101.02448	3.1
107.01389	3.0
111.00888	2.8
113.02505	1.5
123.00898	14.6
123.04601	1.5
124.01648	1.5
125.02451	17.5
133.03027	1.0
135.04536	1.4
136.98897	1.7
139.00401	6.4
140.01176	3.9
141.01918	1.9
148.42397	1.0
151.00377	10.0
151.04082	1.2
153.02003	1.6
157.34630	1.1
161.02461	2.2
163.04094	1.2
166.06447	1.8
167.07137	2.5
168.00652	8.3
169.01456	21.6
170.01823	2.3
181.08745	1.9
183.03053	2.0
211.02480	1.7
254.98213	1.8
271.04694	2.2
275.01877	1.5
299.99072	2.7
300.99640	7.4
302.00333	4.3
313.05682	1.3
315.01501	1.2
316.01776	2.7
329.12540	5.5
354.20422	1.3
478.03662	1.3
495.15125	100.0
496.15683	10.9
529.16724	1.4
541.89655	1.2
558.10358	1.4
558.22430	10.0
559.23999	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84472	1.4
57.03444	1.4
59.01378	6.8
61.93382	1.1
61.98840	10.0
69.53204	9.4
71.01379	6.5
73.02943	1.9
80.96545	2.0
85.02948	3.2
87.00884	2.9
87.04546	1.6
89.02441	1.2
93.03479	5.0
95.01441	1.5
96.96023	7.1
97.02974	1.6
101.02448	1.6
108.02193	1.8
109.02953	3.8
113.02482	2.9
115.79712	1.3
121.02955	13.0
122.03748	16.6
123.00895	3.7
123.04528	3.6
124.01719	1.8
125.02437	8.1
132.02214	2.3
133.02936	5.4
134.03741	4.3
134.60103	1.2
135.04552	7.3
136.01646	1.6
137.02444	3.4
145.02991	6.4
146.03769	1.5
147.04546	5.1
149.02451	20.1
149.06021	3.4
150.03229	84.1
151.00388	3.7
151.03862	2.9
151.07579	3.1
153.01881	1.6
154.02701	1.7
161.02444	1.9
161.06061	3.2
162.03241	1.4
163.03990	1.4
164.04773	5.6
165.05568	100.0
166.05980	3.8
169.01413	7.5
176.03624	1.5
177.01930	1.6
177.05489	3.1
179.07115	4.1
180.04282	5.4
180.07817	1.4
181.05048	1.9
183.06606	2.0
187.03860	1.3
195.06641	48.0
196.06932	1.4
196.18559	1.6
205.05078	3.0
229.01517	1.7
243.02966	1.5
249.04082	3.5
254.98094	6.2
255.02852	1.4
271.02429	7.7
300.02719	7.7
300.99982	19.7
301.03217	3.3
302.00275	3.1
313.10870	1.5
325.10715	2.5
346.14093	2.7
347.15005	2.5
361.16556	31.5
362.16754	2.0
415.17584	3.4
469.32468	1.4
477.03323	2.3
509.21790	29.5
510.22073	1.7
513.24951	1.5
521.20862	8.8
539.22473	3.3
557.09369	5.9
557.22308	11.8
576.55237	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	557.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.5
61.98829	3.2
65.00321	1.7
71.01391	2.8
72.61733	0.9
72.99306	2.3
75.00880	24.1
75.02478	1.0
79.95717	1.9
80.96521	10.1
81.95320	1.3
82.96113	7.8
82.96915	1.3
85.02962	1.0
87.00885	1.4
89.02459	4.2
91.36349	1.0
93.03482	1.1
94.98085	2.2
95.01386	1.3
96.97693	1.0
98.19859	2.8
100.97060	1.1
101.02461	1.2
106.00606	1.2
109.02950	1.9
113.77335	1.1
119.01380	0.9
123.00915	1.5
124.01691	2.3
125.02467	3.1
125.09725	2.6
130.45908	1.0
135.00887	2.8
135.03008	52.8
136.01678	2.5
136.97086	1.1
137.02475	5.9
138.03212	1.3
141.91353	1.1
148.01686	1.5
148.99077	1.2
151.00352	1.5
151.03967	1.4
152.01166	3.4
153.05600	1.2
163.00360	7.5
164.01122	3.7
164.04825	1.0
165.01901	1.4
166.02733	1.6
166.98131	1.2
166.99930	1.2
172.53238	1.1
176.01147	5.2
177.01842	1.4
178.02760	1.1
178.99846	4.1
180.00768	1.1
189.01990	10.6
189.99123	5.6
190.02710	2.2
190.99873	4.4
191.03522	3.7
192.00687	6.6
193.01379	2.0
194.99443	1.1
202.99934	2.4
205.01376	2.7
206.02235	1.6
207.02998	2.0
217.01375	5.2
217.04910	1.8
218.02252	1.6
218.05754	1.1
219.03130	1.6
225.00752	1.8
226.01068	1.1
227.00554	1.9
229.62921	1.1
245.04527	1.3
246.09036	1.2
254.98177	1.7
263.09161	1.3
274.08295	1.7
275.09045	1.1
299.20325	1.8
301.00012	7.0
328.13425	2.2
337.14514	1.1
383.22269	2.9
393.20810	12.0
394.21292	1.3
395.22589	1.6
409.20157	26.0
410.20700	2.5
411.21796	9.0
412.22137	1.1
421.20224	100.0
422.20557	10.6
423.21817	4.0
435.21674	2.0
437.19592	3.1
439.21237	17.0
440.21478	1.6
453.22614	1.5
465.22849	3.4
467.20544	6.7
495.23547	1.5
513.25098	1.4
539.22913	1.2
557.28571	28.1
558.28900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48865	0.4
55.71561	0.4
56.39066	0.4
57.03404	0.8
59.01324	9.6
59.01641	0.7
60.99248	0.7
66.04849	0.4
67.01849	1.0
68.99741	0.4
69.03406	1.0
70.04217	1.6
71.01388	9.6
71.71883	0.4
72.87997	0.4
72.99265	0.6
79.01846	0.7
79.95688	1.9
80.96518	4.8
83.01347	1.0
85.02954	3.4
87.00826	1.8
88.98818	2.4
89.02457	2.7
95.01311	1.7
96.96020	5.7
97.02931	0.5
97.66673	0.5
99.00813	0.5
101.02358	1.8
103.00348	0.6
107.01410	3.3
111.00861	2.2
113.02442	4.7
115.00385	3.5
119.03453	0.9
123.00894	9.4
123.04548	2.2
124.01698	1.0
125.02456	19.3
126.02677	0.8
127.00330	0.6
136.98778	0.7
137.02347	0.5
138.97020	1.0
138.99469	0.4
139.00363	4.0
140.01180	3.1
141.01891	0.6
145.02957	1.0
149.09697	1.0
150.99356	0.5
151.00375	6.3
153.01912	0.9
153.05583	2.6
154.99756	0.5
157.02827	0.7
163.04022	0.5
165.01877	0.9
165.05487	0.4
166.96489	0.5
167.03433	0.7
167.10786	0.8
167.99368	0.5
168.00658	6.6
169.01437	28.7
170.01671	1.2
173.02408	1.4
175.02495	7.7
179.03433	0.9
181.05032	0.5
185.02420	2.1
189.02003	0.6
192.98059	1.3
201.01851	1.5
206.02188	0.5
207.02904	0.8
210.43263	0.4
211.02475	17.8
212.02834	0.6
217.01457	0.6
227.00014	0.8
229.01378	3.2
241.03578	0.6
245.00850	1.3
253.03557	0.6
254.98158	30.2
255.98387	0.8
256.03339	0.4
257.00937	2.5
261.23669	0.4
271.04596	19.2
272.04904	0.9
275.01999	0.9
283.99524	2.9
299.99313	2.6
300.99896	100.0
302.00229	8.1
308.73627	0.5
312.10464	0.4
313.05569	2.2
405.17636	5.3
467.12061	5.3
468.12329	0.5
477.03177	11.6
478.03604	1.0
481.16858	0.6
487.62955	0.5
497.16849	0.9
557.22607	88.2
558.22949	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	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24439	0.4
51.59160	0.4
57.03454	0.7
59.01395	3.3
63.26157	0.4
67.01897	1.0
68.99792	0.5
69.78156	2.6
69.78464	0.7
71.01400	2.5
72.99315	0.5
74.87228	0.5
79.01893	0.8
83.01369	0.6
85.02946	1.3
89.02460	1.5
95.01404	1.2
99.00927	0.5
101.02450	1.1
107.01377	3.0
107.21800	0.4
111.00887	1.5
113.02475	1.1
123.00896	10.7
124.01687	1.1
125.02454	14.8
127.00407	0.9
136.98860	1.0
139.00365	3.8
140.01175	2.7
141.01988	1.0
149.09708	1.0
151.00397	8.1
153.09229	0.6
159.26036	0.4
167.03456	0.6
167.10788	0.8
168.00655	4.5
169.01437	21.2
170.01776	0.6
179.53366	0.5
202.16888	0.5
209.04532	0.5
211.02477	9.3
218.40196	0.5
241.03632	0.9
254.98174	0.7
271.04593	12.1
300.99890	3.7
313.05630	1.8
325.98346	0.5
378.97418	0.5
424.36591	0.5
481.16971	0.6
539.21240	1.2
557.22406	100.0
558.22760	11.7
564.21106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71457	0.4
57.03456	0.6
59.01379	3.0
61.98834	4.0
67.01894	0.6
69.56225	1.8
69.56659	1.8
71.01376	1.9
73.02955	0.6
79.95742	5.5
80.96526	1.0
85.02953	0.6
87.00891	0.6
88.98830	0.6
89.02465	0.7
95.01395	0.9
95.95245	2.2
95.98761	0.5
96.96014	100.0
101.02441	0.9
107.01383	0.8
109.02957	0.8
111.00869	1.0
113.02451	0.6
120.86324	0.4
123.00901	2.7
123.04531	0.5
124.01676	0.9
125.02455	16.4
125.06005	0.5
125.35883	0.5
126.02862	0.5
127.00372	0.5
137.02432	0.9
139.00336	1.2
139.04013	1.3
140.01141	0.7
141.01933	0.5
147.94695	0.5
149.02429	0.7
150.03185	1.7
151.00346	0.9
151.03600	0.6
151.07619	0.7
161.02419	0.5
163.04050	0.5
165.05566	2.2
166.05850	1.1
166.99854	0.7
168.00670	2.5
168.99982	0.8
169.01436	14.3
170.01772	0.7
175.02496	1.1
179.03325	0.5
181.05028	0.8
183.02943	1.5
183.10252	0.8
195.03001	0.7
195.06638	0.7
196.06879	0.7
211.02390	0.9
216.97565	0.5
229.01527	0.7
243.12111	0.6
254.98137	3.5
271.04468	1.9
273.07999	1.7
300.99902	10.9
302.00165	0.9
332.49823	0.5
477.02997	1.4
494.17447	1.9
495.18640	1.4
509.20792	2.9
513.19934	4.0
513.30780	0.6
539.20599	0.8
557.18872	51.0
558.19330	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	557.1301
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
55.01887	0.9
57.03438	1.8
59.01382	6.6
61.76301	0.6
61.98524	0.9
61.98837	19.0
67.01886	0.9
67.38992	0.6
68.99821	0.8
69.03461	5.3
69.27084	5.4
71.01395	8.3
72.99323	1.2
73.02944	2.1
79.01910	1.2
80.95383	0.7
80.96536	0.7
81.03474	1.4
83.01396	1.2
83.05046	0.6
83.84848	0.6
85.02951	3.7
87.00887	3.7
88.98837	1.0
89.02450	2.2
95.01421	3.0
96.96029	3.1
97.02953	4.6
99.00906	0.8
99.04511	0.8
101.02463	2.7
101.06086	0.6
107.01398	12.5
108.02169	4.7
109.02976	7.3
111.00871	3.5
113.02449	3.0
121.02968	3.3
121.06649	0.8
123.00900	13.0
124.01670	0.8
125.02458	61.9
126.02795	1.4
127.00446	1.0
127.04021	0.9
133.99811	0.6
135.00883	1.6
135.04565	1.2
136.98816	1.3
137.02460	4.9
139.00436	4.1
139.04047	1.2
140.01178	3.5
141.01962	1.4
141.09213	1.0
145.02972	0.7
147.06624	0.9
149.02383	1.5
149.06094	0.7
150.03127	0.7
151.00378	11.1
152.01112	1.9
153.01973	5.9
161.04570	1.0
161.13368	0.7
163.06187	1.0
165.01933	0.7
165.05620	1.3
167.03546	0.6
168.00665	5.8
169.01436	72.2
170.01744	2.1
175.02530	1.0
179.03566	0.9
179.07112	1.0
180.49194	0.7
187.11327	1.2
197.06070	4.6
205.01245	0.6
205.12320	1.0
211.02444	3.5
213.05600	1.5
215.07115	0.9
241.03456	1.4
242.05858	1.9
243.06696	3.5
254.98174	2.7
271.04602	1.1
297.06271	0.7
300.99911	9.3
302.00076	0.7
313.05682	21.5
314.06110	1.3
325.11224	1.5
335.22339	1.7
401.87955	0.6
403.10513	0.7
413.24823	0.6
422.08493	1.7
449.07117	4.3
466.07681	1.5
469.31656	1.4
513.30676	1.1
521.33417	3.3
557.13080	100.0
557.23108	4.4
557.31061	6.5
558.13428	10.9
578.14551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42263	0.5
51.36710	0.5
51.70300	0.5
51.71137	0.4
59.01384	6.9
61.98829	3.7
64.46053	0.5
70.92205	0.9
71.01387	1.7
79.95744	19.9
80.96527	0.9
85.02955	0.7
89.02452	1.8
91.66659	0.5
95.95246	7.3
96.96017	100.0
101.02459	1.3
101.06113	0.7
110.97572	5.2
113.02441	1.3
123.00903	1.4
125.02460	5.0
127.02918	0.6
133.05054	0.5
136.98985	0.5
137.02440	0.9
138.03281	0.5
139.00377	0.9
139.04066	0.6
141.95839	0.7
149.02473	1.2
150.03215	0.6
151.00423	2.2
152.01282	0.8
153.01920	0.9
166.02675	2.6
167.03668	0.8
169.01430	4.4
170.01823	0.5
175.03903	0.7
181.05081	2.9
183.06609	0.8
195.06671	0.8
209.01314	1.0
211.02466	0.8
212.82391	0.6
254.98232	2.6
275.01801	0.6
300.99918	6.9
302.00238	0.8
341.13907	0.6
363.68231	0.5
447.13104	0.6
477.03275	0.8
497.11285	1.1
513.30664	0.8
527.08655	1.4
542.10962	0.9
557.13257	67.0
557.21283	4.7
558.13660	5.7
558.21515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
67.01890	0.9
69.03467	0.9
69.48058	3.3
70.71452	0.4
71.01386	5.7
72.99306	0.5
79.01905	0.6
79.95753	0.6
80.96522	1.3
81.03447	0.4
83.01385	0.8
85.02961	1.0
87.00893	0.7
95.01390	1.4
96.96005	3.8
97.02965	1.2
98.20650	0.9
101.02422	0.7
102.85804	0.4
104.53852	0.4
107.01388	8.3
107.04991	0.4
107.61921	0.4
109.02938	0.4
110.00169	0.5
111.00898	2.4
113.02452	2.0
115.00403	1.2
123.00886	7.4
124.01683	1.5
125.02448	54.0
126.02795	1.7
127.00377	0.8
136.98827	1.2
137.02458	1.7
138.03220	0.6
139.00375	3.8
139.04031	1.2
140.01198	3.3
141.01888	0.6
146.23283	0.4
151.00375	6.5
153.01962	0.7
161.29132	0.5
165.01933	11.8
166.02727	2.9
167.03473	0.5
168.00632	4.5
169.01427	66.1
170.01744	1.8
175.02509	2.7
175.03877	0.6
179.03477	0.9
180.04282	7.7
181.05051	4.6
183.02980	3.4
185.02518	0.7
186.93266	0.5
189.01903	0.6
193.01367	0.5
195.06635	8.7
200.11377	0.6
201.01953	0.5
210.05276	0.5
211.02440	2.1
217.01398	0.5
229.01413	1.1
241.03545	1.7
249.04024	1.2
254.98160	9.3
275.01938	0.6
283.99744	0.6
286.43100	0.5
297.06226	1.1
299.99158	0.9
300.99890	32.5
302.00220	2.3
313.05649	18.1
314.06064	0.9
327.07043	2.4
477.03259	3.1
477.08994	0.5
557.15094	100.0
558.15485	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	557.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.0
61.98834	23.1
68.30141	2.5
69.40409	23.4
69.40736	4.4
71.01387	13.9
73.02965	3.6
85.02952	5.3
87.00879	4.8
89.02420	3.9
93.03479	8.0
95.01388	2.5
96.96019	7.8
97.02946	4.7
97.06601	3.3
101.02460	4.2
107.01427	4.8
109.02936	7.9
111.00905	2.6
113.02513	3.2
121.02965	31.7
122.03785	18.6
123.00887	7.3
123.04514	5.5
124.01647	3.7
125.02444	60.0
132.02223	2.9
133.02939	13.2
134.03741	10.7
135.04494	5.9
136.05345	2.9
139.00394	5.7
139.04008	7.9
140.01196	5.4
141.09200	2.6
145.02969	11.8
146.03738	5.1
147.04529	14.0
149.02461	37.3
149.06076	17.1
150.03230	84.9
151.00325	3.8
151.03920	4.2
153.01939	3.7
154.02673	5.5
161.02368	4.1
161.06053	3.9
163.04031	3.8
164.04773	10.8
165.05573	84.0
168.00655	10.9
168.99986	4.7
169.01434	91.0
169.05124	3.7
177.05521	3.9
179.07141	11.8
183.02931	6.7
183.06712	3.2
195.06664	19.3
207.06635	3.0
211.02486	48.3
254.98199	8.0
271.01776	5.5
271.04608	87.9
272.05005	4.9
279.33969	2.6
300.99890	34.9
305.63519	3.4
313.10727	6.5
329.14041	5.4
331.06607	26.8
346.14209	6.9
347.14935	11.2
361.16580	62.3
362.17032	5.1
415.17752	9.8
437.02612	3.6
477.03058	4.3
509.21814	100.0
510.21997	9.6
521.20520	53.6
522.20612	5.0
539.22711	5.3
557.23175	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54534	1.0
52.63961	1.3
57.21360	1.0
59.01382	13.6
59.42008	1.0
61.98838	76.0
66.93311	1.2
68.95490	0.9
69.60991	2.2
69.61397	5.9
69.94736	1.2
71.01396	7.1
72.99330	1.4
73.02953	2.0
83.01411	1.2
85.02971	1.7
87.00884	10.7
87.04547	1.4
89.02470	2.8
95.01411	2.0
96.24639	1.2
96.96053	3.6
97.03004	1.2
99.00900	1.4
99.90885	0.9
101.02492	2.7
101.84814	1.1
107.01398	5.3
107.05050	2.1
109.02967	1.3
109.06624	1.3
111.00874	3.3
113.02473	3.0
113.06141	1.2
119.05038	1.8
120.38206	1.0
123.00873	9.3
123.08147	1.2
124.01717	2.4
125.02460	36.4
126.02795	1.1
127.00382	1.1
135.04553	6.8
136.04916	1.4
136.98840	1.8
137.02463	1.0
137.06082	1.1
139.00418	2.9
139.04016	1.9
140.01167	4.2
141.01926	1.1
141.09268	1.5
149.02435	1.1
150.03253	1.2
151.00391	4.6
152.03598	1.7
153.01950	1.3
161.02446	1.8
163.04062	1.3
165.05585	2.9
167.03537	2.4
168.00658	15.9
169.01453	47.7
170.01822	1.2
188.27480	1.1
211.02501	74.8
212.02840	3.3
241.03481	2.2
254.98256	2.1
271.04614	97.1
272.04980	3.9
300.99835	8.2
303.42694	1.1
313.05832	1.1
321.64883	1.2
331.06714	14.2
335.22302	4.8
411.27771	2.4
469.31750	3.4
493.17169	100.0
494.17422	9.1
496.16458	1.1
513.30817	2.6
529.06799	1.1
556.24213	2.4
557.25507	3.4
557.29822	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	556.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
69.59895	0.8
69.60291	1.3
71.01383	5.5
77.71326	0.4
78.72339	0.3
79.95749	1.5
80.96526	4.7
85.02975	1.6
87.00880	0.9
96.96014	3.8
98.19968	0.5
103.00359	0.7
113.02473	2.2
115.00378	3.6
126.58250	0.3
138.97118	1.0
141.32101	0.3
157.01424	0.5
166.96530	0.9
173.02499	0.5
175.02499	6.6
185.02478	1.9
189.01900	0.5
192.98155	1.8
201.01971	1.7
212.68144	0.3
217.01404	0.5
229.01416	3.7
231.33858	0.3
245.00896	1.5
254.98166	30.7
255.98460	0.8
257.00986	1.3
273.00342	0.3
283.99686	2.2
299.99191	2.1
300.99905	100.0
302.00232	5.9
369.95801	0.3
397.77771	0.4
477.03146	11.1
477.10083	0.6
478.03650	0.7
557.22046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01397	0.4
63.96253	0.9
70.12223	1.7
71.01384	5.4
73.02944	1.6
75.81082	0.5
75.81537	0.4
78.98598	4.5
79.95738	7.4
80.96520	54.9
81.03459	0.5
85.02952	2.5
87.00889	2.7
94.98088	14.3
96.96002	0.8
97.02930	1.3
99.00911	0.6
101.02447	2.3
102.29451	0.4
106.98094	3.2
113.02364	0.7
122.97584	4.4
125.02425	2.8
127.04035	0.7
134.97595	3.6
136.99107	1.1
139.03990	0.5
148.99155	5.4
152.98645	6.8
164.97304	0.6
164.98637	9.0
167.00105	0.6
182.99641	1.2
188.98676	0.5
206.99741	3.0
225.00742	15.2
225.02974	0.8
226.00931	0.5
232.97569	0.5
243.01712	1.7
255.23270	2.8
299.04462	2.3
555.28436	100.0
556.28766	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	555.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.5
59.01381	17.2
59.71128	1.1
61.98833	100.0
69.03464	2.2
69.93356	6.4
71.01389	10.4
72.99320	1.8
73.02948	4.3
79.95761	1.9
83.01398	2.7
83.05027	2.3
85.02969	5.3
87.00877	9.6
88.98833	3.4
89.02457	5.7
93.03510	1.5
94.84043	1.2
96.96022	12.9
96.96979	1.3
97.02978	1.6
97.06601	1.6
98.95607	3.7
99.04539	1.3
101.02446	5.2
101.06082	1.7
107.01425	2.9
107.12525	1.3
109.02954	3.5
113.02461	2.9
117.05594	1.5
119.03551	1.7
119.38291	1.2
121.02934	2.1
122.03758	1.2
123.00916	9.9
123.04538	2.5
124.01682	1.6
125.02452	13.9
125.06115	1.6
125.09694	1.2
127.00355	1.3
133.02979	4.1
135.04562	7.2
137.02467	2.8
139.00380	4.0
139.03987	2.5
139.07680	2.2
140.01170	1.8
141.01944	3.5
145.02921	2.1
149.02457	5.0
149.06071	1.3
150.03242	6.2
151.00392	4.9
151.04031	8.4
151.07648	1.8
153.02017	1.5
161.02457	16.1
163.04048	3.0
164.04790	2.4
165.05624	7.4
166.06334	1.4
167.03558	1.5
168.00627	2.1
169.01437	19.2
177.05545	2.1
179.03470	7.6
179.07188	1.6
179.10747	1.8
191.03438	1.3
193.05057	2.2
194.05815	4.1
195.06619	4.8
209.08186	5.7
209.52635	1.4
211.02441	4.2
215.94992	1.5
271.04587	5.5
297.11584	1.6
300.99829	2.5
309.94232	1.4
313.05646	1.6
323.07748	4.8
325.10968	1.6
329.13821	2.6
331.06940	1.5
475.12350	6.6
477.19366	1.8
495.30917	2.3
507.20212	6.8
508.20279	1.6
511.22098	1.8
511.29092	4.0
519.31824	12.5
520.31519	2.1
537.20270	1.4
555.09064	6.8
555.20502	24.9
555.29834	11.3
556.08844	2.1
556.23346	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	555.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12410	0.3
59.01375	0.5
63.96246	1.3
64.97006	0.3
70.18378	1.5
71.01383	6.5
73.02964	1.9
78.98594	5.3
79.95741	8.5
80.96522	58.3
81.03462	0.6
83.01398	0.5
85.02960	2.5
87.00890	1.7
94.98090	13.7
96.96014	1.1
97.02963	1.5
99.00888	0.7
99.04582	0.4
101.02458	2.0
106.98091	3.0
117.50893	0.3
122.97589	2.9
125.02460	2.8
127.04011	0.8
134.97606	4.4
136.99149	1.3
148.99146	5.0
152.98625	3.8
164.98633	9.4
167.00090	0.4
172.89650	0.3
206.99663	2.8
225.00745	13.4
255.23383	2.8
259.79776	0.3
275.52655	0.4
299.04401	3.0
379.69409	0.4
463.13297	1.0
519.16138	1.6
520.16809	0.8
555.28424	100.0
556.28790	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	555.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40018	0.3
55.01861	0.4
61.98834	1.7
71.05042	0.4
71.60601	0.6
78.03401	0.4
99.92591	25.8
100.92631	0.9
100.93375	2.8
115.92084	57.8
116.92092	1.9
116.92874	2.6
117.39928	0.4
119.71234	0.4
123.04516	0.6
125.02498	0.4
127.04082	0.6
132.92378	0.5
209.61784	0.3
369.23880	0.5
463.13504	0.7
519.15906	1.4
537.26929	1.8
540.25592	0.8
555.27881	100.0
556.28113	16.7
569.25879	4.7
570.25964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
61.98828	4.0
69.73427	2.7
69.73829	1.8
71.01390	1.1
74.06843	0.7
87.00857	1.6
87.06698	0.7
89.02487	0.8
93.03461	3.7
96.95998	5.6
121.02940	5.6
122.03756	13.3
123.00914	1.3
125.02454	1.8
133.00958	0.8
133.02931	1.4
136.01665	1.4
137.02441	0.8
149.01254	1.2
149.02440	20.5
150.03230	83.2
151.03596	2.5
160.05313	0.8
163.04001	1.6
164.04790	4.2
165.05571	100.0
166.06125	3.6
169.01402	1.5
180.04318	4.9
195.06625	67.7
196.06927	2.2
207.06622	0.8
211.02383	0.7
240.04292	1.2
255.06577	0.7
267.06537	1.1
269.08212	3.5
283.06195	0.8
283.09641	1.9
293.08359	0.7
294.92712	0.7
295.06049	2.8
295.09396	1.1
297.11301	1.8
298.08514	1.6
299.09247	3.3
308.19165	0.7
310.08685	1.2
311.09311	5.8
311.12524	1.2
313.10880	2.0
314.11624	5.2
315.12244	1.3
325.10773	3.2
326.11511	3.1
329.13950	17.0
330.14255	1.5
341.13873	10.2
343.11896	1.3
373.13034	0.9
431.15274	0.9
477.19229	4.8
484.34140	0.8
495.31647	1.1
507.20218	9.4
508.20709	1.5
537.21436	1.6
555.21252	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	555.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97416	0.7
59.01380	2.7
61.98835	7.5
69.31145	7.1
71.01379	1.8
80.84170	0.7
85.02975	0.8
89.02449	1.0
93.03460	4.8
95.05019	1.3
95.87991	0.7
96.96021	15.6
101.02418	0.6
108.02217	1.0
109.02951	1.1
111.00890	0.7
112.90124	0.7
121.02975	11.8
122.03768	11.9
123.00884	1.9
123.04532	2.4
125.02435	1.9
133.02919	2.3
134.03729	0.9
135.04555	1.5
136.01669	1.6
137.02425	1.6
139.00378	0.8
147.04501	1.3
148.01639	1.1
149.02464	66.1
150.03244	73.9
151.03603	1.3
153.90213	0.7
161.02487	1.0
163.03996	2.7
164.04803	16.6
165.05588	69.4
166.06215	3.3
168.00565	0.7
169.01448	1.9
175.04094	1.3
175.07660	0.8
177.05600	1.4
178.06352	0.9
179.07098	2.6
180.04346	4.8
181.04695	0.7
181.08630	1.2
193.05081	3.5
195.06642	43.2
195.27278	0.8
196.06924	1.7
207.06606	1.5
217.05026	0.8
226.35832	0.7
240.04283	1.4
241.08719	1.3
253.08461	0.9
267.06723	0.9
267.10120	0.9
268.11020	0.8
269.08267	4.5
269.11774	3.0
281.08328	0.8
283.06506	0.7
283.09784	1.7
285.07053	0.8
295.06415	1.3
296.10452	2.1
297.11288	10.6
298.08417	1.5
298.11990	2.2
299.09158	3.7
300.02679	0.8
300.10019	2.4
311.09268	5.2
311.12903	2.6
312.10077	1.4
313.10828	2.7
314.11575	6.9
315.12415	2.7
325.10867	2.9
326.11530	4.1
327.12222	2.5
329.13974	15.6
333.60751	0.9
341.13889	7.1
371.15082	1.6
417.13779	0.8
431.14957	5.1
433.16431	4.2
443.15121	0.9
447.14487	1.1
461.16296	1.8
462.16766	4.8
463.17523	1.2
477.19193	18.0
478.19553	2.2
479.20819	0.9
489.19049	3.5
492.18063	2.1
505.80948	0.8
507.20251	100.0
508.20697	10.5
537.21112	1.3
555.21472	13.7
556.21735	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	555.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52007	0.3
55.01881	0.6
57.04072	0.3
59.01385	7.1
61.98830	0.9
64.82540	0.3
67.01889	0.7
69.03447	0.8
69.93069	1.7
71.01386	4.3
72.99316	1.2
73.02945	0.4
79.01892	0.9
83.01392	1.0
85.02946	1.2
87.00892	0.7
89.02435	2.8
95.01398	2.0
96.96019	1.1
97.02959	0.7
101.02451	2.3
107.01399	3.5
110.00112	0.3
111.00903	2.0
113.02442	1.6
119.03493	1.1
122.03733	0.5
123.00898	12.9
125.02457	17.6
126.02836	0.6
127.00377	0.7
136.98848	1.4
138.06908	0.4
139.00381	3.6
140.01172	3.1
141.01941	1.6
149.02437	0.3
150.99158	0.5
151.00389	8.1
151.04008	0.6
153.01877	0.4
165.01941	0.6
167.03532	0.5
168.00661	4.1
168.07936	1.3
169.01440	23.8
170.01755	0.9
177.04060	0.7
178.27051	0.4
189.02000	0.3
208.20760	0.4
211.02495	8.2
211.13411	0.4
256.71622	0.3
271.04608	7.9
272.04922	0.4
285.11234	0.7
300.99982	0.3
313.05600	1.4
329.05231	1.4
403.12375	0.3
483.14661	0.5
493.17099	0.9
511.14407	0.6
525.19806	11.2
526.20062	1.0
555.20825	100.0
556.21155	9.9
566.14679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01381	14.3
61.98831	4.1
65.00339	1.0
67.01891	0.8
71.01383	6.1
71.60688	0.9
72.59346	0.6
72.99314	1.3
73.02938	0.9
79.01896	0.7
81.78625	0.5
83.01399	1.2
85.02960	1.8
87.00871	1.3
88.98795	1.3
89.02453	4.4
95.01395	2.1
96.96005	3.3
97.02934	0.7
101.02444	3.5
107.01378	3.9
107.51878	0.6
111.00875	3.0
113.02445	2.7
119.03502	1.8
123.00896	11.8
123.04489	0.8
124.01707	0.9
125.02448	20.4
133.02922	0.7
136.01628	0.8
136.98875	1.5
137.02458	0.8
139.00378	4.7
140.01115	3.0
141.01979	1.4
149.04512	0.7
151.00365	8.7
151.03967	1.5
153.01965	1.0
165.01912	0.7
165.05511	1.4
166.99870	0.7
167.03450	1.0
168.00644	4.4
168.07906	1.2
169.01428	28.6
170.01831	0.7
177.04134	0.7
177.77782	0.6
177.89014	0.6
179.05630	1.1
179.07153	1.8
181.05144	1.1
182.05847	1.1
189.01939	0.8
190.02702	0.8
195.06688	1.0
197.08189	1.4
203.03610	0.7
211.02489	11.7
211.13312	0.9
212.02866	1.2
232.03693	1.1
233.04572	1.7
270.09027	4.2
271.04578	11.1
273.00415	0.9
275.01965	0.7
285.11288	4.7
300.99911	2.1
313.05658	2.2
329.05109	1.2
331.06741	1.4
333.13403	1.1
403.12503	2.1
430.28748	0.6
511.14316	1.4
512.15259	0.8
525.19830	8.4
537.19122	0.7
555.20819	100.0
556.14789	0.7
556.21222	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	555.2087
Annotation	Brianodin C
Peak:m/z	Relative Intensity
55.01866	0.6
59.01391	3.9
62.12844	0.4
67.01896	1.1
67.44501	0.4
68.99831	0.4
69.03450	0.6
70.07679	1.8
71.01392	3.1
72.99284	0.6
73.02937	1.1
79.01895	0.8
83.01393	1.3
85.02964	1.6
87.00880	0.5
89.02464	1.2
95.01418	2.2
96.96010	1.5
97.02960	0.8
98.19882	0.5
99.00900	0.7
101.02458	1.8
107.01399	4.5
110.00105	0.6
111.00846	1.9
113.02432	1.3
121.02997	0.4
123.00900	14.9
123.04511	0.4
124.01751	0.4
125.02454	18.0
126.02832	0.4
127.00394	0.7
135.04510	0.5
136.98854	1.4
139.00409	4.9
139.07726	0.7
140.01166	2.9
141.01939	1.4
149.02443	0.5
151.00381	10.5
152.00670	0.5
153.01961	0.5
157.42001	0.4
163.04062	0.5
166.82845	0.4
168.00653	3.3
169.01431	22.8
170.01805	0.7
179.03558	1.2
193.01337	0.6
211.02551	2.1
223.02481	0.9
241.14413	0.5
253.03563	0.5
259.02441	0.4
269.00919	1.6
271.04590	1.7
287.02042	1.5
300.99881	1.1
313.05856	1.9
403.16479	0.5
423.04022	0.5
430.26913	0.4
469.92145	0.4
493.04114	1.0
555.20868	100.0
556.21228	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03413	0.3
55.28296	0.3
57.03454	0.4
59.01379	2.3
61.37241	0.3
61.98832	100.0
71.01395	1.2
71.60840	0.4
73.02957	0.5
85.02978	0.5
87.00893	1.6
89.02429	0.5
96.96017	1.7
97.02931	0.3
101.02449	1.0
111.00898	0.4
113.02470	0.5
114.85748	0.3
123.00906	1.0
125.02471	1.0
140.01140	0.3
151.00378	0.5
161.04570	0.5
164.42941	0.3
169.01433	1.3
180.51422	0.3
309.20963	0.5
474.21109	0.3
507.35315	1.4
508.35968	0.9
553.26379	0.9
554.23981	1.5
555.23938	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	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.9
61.98831	1.3
66.88544	0.4
69.80127	1.0
69.80557	1.6
74.19247	0.3
78.95908	19.9
84.64406	0.3
84.71026	0.4
96.96997	0.4
125.02438	0.4
152.99606	2.8
154.72731	0.4
168.04330	2.8
175.51675	0.4
188.28465	0.4
224.06923	8.4
242.07912	2.1
255.23303	100.0
256.23630	5.5
385.51431	0.4
458.02878	0.4
480.30978	63.6
481.31320	5.5
554.27393	0.7
555.29431	0.8
561.67963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	0.6
59.01381	4.7
59.73724	0.4
65.05605	0.4
67.01884	1.1
67.25581	0.4
69.58538	2.6
69.58953	0.7
71.01387	3.8
71.42744	0.4
72.99290	0.6
76.38150	0.4
79.01900	1.1
81.03442	0.4
83.01396	0.8
85.02958	1.1
87.00873	0.6
88.98798	0.4
89.02441	1.6
90.22073	0.4
95.01379	1.5
97.02947	1.1
99.54347	0.4
101.02435	1.4
107.01391	5.6
110.00128	0.4
111.00887	1.7
113.02464	1.3
122.03741	1.5
123.00889	13.1
124.01653	1.9
125.02453	22.3
127.00377	1.3
136.98781	1.6
137.06075	0.5
139.00378	4.6
139.03983	0.7
139.07646	0.8
140.01166	4.3
141.01889	1.0
151.00371	7.2
151.07597	0.7
153.01950	0.5
163.07639	0.5
165.01953	0.6
167.03474	0.8
168.00653	7.3
169.01424	35.4
170.01773	1.1
173.11969	0.4
177.09128	0.6
179.03453	0.5
191.10747	1.2
211.02478	15.9
225.16339	0.6
241.03413	0.5
253.03479	0.7
271.04575	20.8
272.04822	1.0
297.06100	0.8
300.99820	0.8
313.05774	2.3
318.23636	0.5
331.06702	1.8
523.18103	2.7
535.18219	7.3
553.19263	100.0
554.19635	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03448	1.0
59.01383	11.6
61.98836	20.5
64.54699	0.5
69.31129	5.9
71.01383	3.2
71.05028	2.3
72.99320	1.1
73.02946	1.5
75.00879	1.0
79.95731	4.5
83.01395	1.2
83.05074	0.7
85.02946	1.6
87.00884	1.6
89.02461	2.6
95.95240	2.0
96.96018	100.0
97.02924	0.7
101.02444	3.2
107.01402	1.4
113.02440	1.1
117.05585	6.7
120.85412	0.6
120.99593	0.6
123.00871	2.7
123.04573	3.8
124.01677	0.9
125.02483	6.4
135.04485	0.8
137.02411	1.2
139.00395	1.1
139.03992	1.2
141.01910	0.9
151.00316	1.9
151.04007	0.6
161.04475	1.3
163.03960	1.0
165.05554	0.6
167.02165	0.6
167.03502	10.3
168.00555	1.3
169.01466	5.9
179.03517	1.0
180.89642	0.7
183.02870	0.6
211.02316	0.9
211.13290	2.2
273.08078	4.3
279.10629	0.7
291.09100	14.0
292.09256	0.7
333.09839	0.8
347.77621	0.7
393.11838	1.8
435.13181	3.7
453.09006	0.6
453.14273	7.4
473.22919	0.9
493.25116	0.8
553.19165	55.4
554.19897	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78919	0.2
59.01383	2.1
61.69837	0.2
61.98837	100.0
70.03241	1.2
70.98084	0.2
71.01392	0.8
73.02968	0.4
77.09782	0.2
81.32233	0.2
83.01399	0.6
85.02955	0.5
87.00877	0.6
88.98860	0.4
89.02463	0.7
96.96017	1.3
101.02462	1.0
106.04219	0.3
107.01406	0.4
111.00893	0.3
113.02488	0.5
117.03495	0.3
120.99756	0.3
121.02966	0.3
123.00926	0.9
123.04549	0.5
125.02433	1.7
128.66942	0.2
133.30597	0.2
135.04533	0.3
139.04048	0.3
145.02985	0.9
148.50471	0.2
149.02571	0.3
151.00388	0.5
167.03511	0.4
168.00623	0.3
169.01477	1.2
170.01991	0.3
179.10864	0.3
183.10289	0.5
209.11832	0.3
271.04797	0.5
299.08392	0.3
391.25018	0.4
489.17505	0.3
498.76428	0.2
507.35785	0.4
552.09271	0.5
552.25458	3.8
552.33075	0.4
553.23077	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	553.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79501	1.9
59.01381	16.8
60.99313	11.4
64.81003	1.7
66.03497	3.4
71.01383	8.5
71.73892	1.8
85.02937	1.8
88.98814	58.2
89.02442	4.9
92.81744	1.9
95.01393	1.8
98.20728	3.6
101.02468	7.1
103.03992	2.3
107.01395	3.5
109.02941	2.1
111.00904	4.7
113.02452	3.0
117.19068	2.0
118.97187	1.9
119.03477	2.6
120.99644	2.7
123.00925	11.5
125.02441	20.9
129.20348	1.8
137.02463	2.6
139.00377	5.7
140.01128	2.7
151.00378	11.4
151.03911	1.9
153.01973	2.4
166.99883	5.6
168.00656	4.7
169.01433	30.0
172.18565	1.8
172.26845	1.8
178.99854	6.0
180.07919	4.8
185.11835	4.5
196.09834	2.2
209.25050	1.7
209.46170	1.9
211.02513	10.6
211.12488	2.0
223.78172	1.8
240.08745	2.8
242.02626	2.2
243.02998	4.9
247.02489	6.0
255.03027	9.5
271.02264	28.4
271.04736	10.1
287.01971	8.2
300.02753	45.3
301.03418	14.6
313.05676	17.4
316.02295	40.7
317.02911	4.9
331.06680	3.6
343.11716	1.9
387.16412	2.2
390.16589	2.3
391.17471	20.9
395.14105	2.0
463.08844	100.0
464.09152	7.5
535.18390	4.6
552.21570	4.4
553.19354	44.2
553.31787	2.4
554.15063	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	553.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
61.98835	4.8
64.34901	0.9
71.01389	5.8
71.16631	1.8
72.77908	0.8
72.99301	1.6
73.02950	0.9
73.08037	0.9
74.99094	0.9
75.00877	0.8
77.34364	0.9
82.28963	1.0
83.01385	1.3
85.02930	2.1
87.00906	0.9
89.02447	2.6
95.01411	1.4
96.96013	2.5
101.02451	2.5
107.01411	5.9
109.02947	1.6
111.00890	3.9
113.02434	2.2
119.03485	0.8
121.24349	0.8
123.00887	9.2
125.02455	30.2
125.16041	0.9
127.00372	1.1
136.98866	1.6
137.02437	0.9
139.00386	3.6
139.04019	1.4
140.01152	4.1
141.01973	1.1
149.04533	1.0
151.00383	4.1
153.02032	1.1
163.04135	1.2
167.03545	1.9
168.00642	14.5
169.01439	45.8
177.01982	2.5
193.05127	1.3
211.02487	54.9
212.02812	2.2
231.95628	0.9
241.03697	1.3
247.02428	1.6
253.12535	1.0
271.04593	100.0
272.04904	5.4
275.01871	1.2
300.99908	3.5
313.05716	1.8
331.06723	29.2
332.07193	1.2
352.43411	0.9
361.12372	1.0
408.14944	0.9
437.60565	0.9
535.18048	2.3
553.19476	66.8
554.19812	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	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17430	0.5
56.25113	0.5
59.01390	4.2
63.02211	0.6
63.20235	0.5
67.01884	0.8
67.70154	0.5
69.90879	2.8
71.01389	3.2
73.02949	0.5
75.89137	0.5
79.01885	1.1
83.01367	0.7
84.38346	0.6
85.02956	1.0
89.02443	2.4
95.01380	1.0
98.20684	0.6
101.02425	1.6
107.01415	2.9
111.00862	1.8
111.28000	0.5
113.02457	1.3
120.48858	0.5
122.03742	2.0
123.00896	10.4
124.01621	1.4
125.02464	17.0
130.92543	0.6
136.98817	1.1
137.06105	0.7
139.00380	3.7
139.07657	0.7
140.01166	2.5
141.01964	1.4
151.00374	7.3
168.00667	4.9
169.01439	23.2
169.54211	0.6
170.01755	0.8
191.10797	1.6
207.22652	0.5
211.02463	7.8
249.82169	0.6
271.01816	0.7
271.04666	8.4
272.04691	0.6
313.05704	1.6
329.64059	0.6
385.11316	0.7
413.36835	0.6
523.18170	3.6
524.18323	0.8
553.19312	100.0
554.19635	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.7
61.98825	1.2
70.10920	1.0
70.11302	1.6
71.01385	2.2
73.02931	0.8
85.02960	0.7
87.00877	0.6
89.02444	3.3
91.83255	0.5
101.02467	3.1
112.98606	0.8
113.02444	0.8
115.78142	0.5
116.65737	0.5
119.03507	1.4
125.02475	0.7
133.63722	0.5
139.03981	0.5
161.04562	1.5
235.08279	2.1
253.09297	11.7
255.23302	100.0
256.23697	5.5
272.94864	0.5
341.49463	0.5
489.97791	0.5
551.29462	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	551.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.3
57.03444	4.3
58.00616	2.5
59.01382	35.3
61.98827	5.8
64.71954	2.0
69.03454	2.9
71.01382	37.8
71.05009	2.4
71.61029	2.8
72.99315	3.0
73.02947	11.0
80.63952	2.0
83.01392	8.8
85.02957	18.3
87.00865	6.0
88.98839	2.9
89.02424	12.0
92.17473	1.9
95.01418	2.4
96.96011	15.3
97.02969	2.5
99.00878	7.1
99.04530	4.8
99.92591	7.0
101.02447	35.1
103.04043	2.4
107.01377	2.8
111.00866	2.2
113.02448	18.5
116.92859	50.3
117.03467	4.0
117.05556	3.4
117.92895	2.7
119.03458	3.0
119.05037	2.7
123.00867	5.7
123.04564	2.6
124.45393	2.0
125.02480	15.0
137.02440	4.6
139.04004	8.5
139.07570	2.6
140.01103	2.1
145.02942	13.8
151.00378	3.4
151.07634	2.4
161.04556	16.5
163.04013	3.1
165.01920	6.7
168.00658	2.9
169.01468	13.2
169.08698	2.0
181.05157	2.2
183.10275	2.9
185.11797	3.1
189.99217	1.9
193.05069	6.7
195.06757	2.7
211.02473	8.6
227.12823	13.8
249.08011	21.5
271.04602	11.3
273.00510	2.7
275.02057	3.5
300.99847	3.2
307.08261	3.7
313.05792	3.9
329.16071	18.4
331.06775	5.3
491.21347	100.0
492.21625	8.7
503.15677	5.9
505.26904	4.5
551.17493	2.8
551.31122	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	551.2502
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
55.01867	0.8
57.03450	0.9
58.00599	0.4
59.01391	6.6
60.99314	0.8
61.98520	0.7
61.98837	11.9
67.01903	0.9
69.03438	0.4
69.40264	3.1
70.55185	0.3
71.01391	4.4
72.99309	1.0
73.02961	1.0
75.00890	0.4
79.01905	0.7
83.01406	1.0
85.02962	2.8
87.00887	1.2
88.98815	5.6
89.02451	3.6
93.03461	0.5
95.01396	1.8
96.96022	2.4
96.99296	0.4
97.02949	0.7
101.02451	2.9
107.01389	2.8
109.02946	0.8
110.00081	0.4
111.00893	2.5
113.02509	1.8
117.05605	0.9
119.03445	0.5
121.02998	0.6
123.00902	13.4
123.04498	0.5
124.01694	2.3
125.02460	12.3
126.02856	0.4
127.00358	1.0
133.02971	0.6
135.04543	0.8
136.98814	1.4
137.02483	1.0
138.03276	0.3
139.00375	5.2
139.04033	3.1
139.11401	0.5
140.01164	3.0
140.20477	0.3
141.01938	1.8
150.03282	0.5
150.91554	0.3
151.00378	9.2
153.01987	0.9
153.05672	0.6
161.02525	1.1
161.04558	0.6
161.09650	0.4
163.04070	0.7
165.05591	0.6
167.03510	0.4
168.00671	3.7
169.01447	17.1
170.01871	0.4
179.03455	0.4
179.10811	0.5
183.06697	0.8
183.10297	1.5
187.11356	0.6
205.12375	0.5
211.02554	1.6
213.57846	0.4
251.66551	0.4
270.98486	0.5
271.04587	2.7
313.05701	1.6
331.06750	0.6
394.04504	0.4
399.19937	0.5
477.17752	2.7
488.22543	0.7
493.21014	0.8
501.56485	0.4
551.25134	100.0
552.25458	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
58.33108	3.4
59.01386	65.5
61.98828	39.4
69.36299	13.4
69.36716	15.4
69.39300	3.2
71.01391	34.2
73.02952	3.3
77.51093	3.2
83.01395	6.5
85.02965	6.8
87.00864	6.3
89.02454	55.4
95.01391	8.0
96.96013	18.3
101.02457	21.8
107.01410	8.2
111.00861	3.8
113.02438	15.5
116.92857	4.0
119.03487	15.4
123.00858	10.7
125.02470	27.2
132.02213	3.5
137.02425	5.4
139.00345	6.4
139.03961	5.8
145.02956	6.0
151.00365	8.8
160.01620	7.3
161.04520	3.6
168.00613	8.6
169.01465	24.1
169.78711	3.6
179.05568	5.2
183.02989	6.8
191.05731	4.4
193.01443	9.7
209.11787	3.9
211.02454	11.2
240.87950	3.6
242.09457	5.1
257.11810	7.9
270.08875	6.5
271.04581	11.4
282.08917	4.2
285.11319	11.1
298.08438	11.2
310.08359	3.7
311.09280	7.2
313.05563	4.4
325.10757	8.4
326.07864	7.4
341.10287	74.5
341.14203	6.7
342.10831	5.5
356.12753	17.5
371.10309	5.3
371.15002	100.0
372.15594	4.5
384.45984	3.4
477.80496	3.9
551.21423	70.3
551.31232	13.6
552.21759	5.4
561.10388	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	551.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03442	3.1
59.01384	30.0
60.99311	1.5
61.98836	43.7
65.85381	0.9
67.01882	1.5
68.99831	1.1
69.03431	1.3
71.01382	15.8
71.05022	1.9
71.60861	1.9
72.99316	1.6
73.02952	6.6
73.71186	1.1
73.95306	0.9
75.00854	2.4
77.54549	1.1
79.01893	1.2
83.01389	5.1
83.05022	1.1
85.02955	7.3
87.00871	5.2
88.98811	3.6
89.02452	8.2
93.03485	2.9
95.01394	5.2
95.05000	1.4
96.96014	9.8
97.02966	2.7
97.06584	1.5
99.00878	2.3
101.02440	10.9
107.01421	8.1
107.05022	3.8
109.02940	1.0
111.00879	3.6
113.02440	7.4
113.24978	1.1
117.03437	2.7
117.05591	3.2
119.03571	2.2
119.05061	4.8
121.02958	2.5
121.06590	2.5
123.00890	23.8
123.04498	1.3
124.01678	27.3
125.02454	27.3
134.03693	2.5
135.04395	1.9
135.08224	1.3
136.98828	1.0
137.02449	6.0
138.03233	2.7
139.00404	7.6
139.04013	24.2
139.11238	2.1
140.01144	5.2
141.01961	2.2
145.02925	4.2
145.10147	1.1
149.04558	1.1
151.00395	12.9
151.04070	1.0
153.01942	2.6
153.05609	1.7
161.02449	1.2
161.04573	3.3
161.09744	7.2
161.13365	4.5
163.04042	8.5
163.11281	2.6
165.01942	6.8
168.00664	6.4
169.01433	26.1
170.01768	1.4
175.04022	1.2
179.03490	2.0
179.10759	1.4
181.12282	1.1
183.02969	6.6
183.06581	1.4
183.10229	4.2
187.11250	12.3
189.09236	8.6
193.05081	1.7
197.04561	1.4
205.12372	6.9
206.02110	1.0
207.10255	4.0
211.02495	8.3
223.13309	1.7
225.11327	2.4
243.12268	5.3
249.11220	4.4
253.03386	1.1
267.12421	2.6
271.04660	4.7
271.19266	1.5
285.13339	1.8
301.09244	2.0
313.05670	1.6
345.15402	1.6
380.50156	1.1
387.16611	3.4
399.20316	5.0
405.17523	3.6
507.22073	3.1
533.19958	1.7
551.25604	100.0
552.26007	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	551.214
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
59.01094	3.4
59.01385	43.3
61.98831	48.9
71.01385	25.8
71.61407	3.6
72.80319	2.5
72.99316	2.9
73.02975	3.0
79.43501	2.3
85.02956	5.5
87.00857	3.2
88.98814	3.6
89.02453	27.9
90.74318	2.4
95.01368	3.2
96.95997	18.7
101.02458	15.5
107.01440	3.7
109.02079	2.2
109.02969	3.5
109.61967	2.6
113.02477	12.5
116.65214	2.5
116.92822	3.8
117.05576	2.9
119.03510	8.9
119.27770	2.4
121.03040	3.4
123.00910	17.4
124.01624	4.0
125.02456	36.4
127.00497	2.5
137.02396	3.3
139.00392	6.4
139.03966	4.0
140.01173	5.3
145.02942	9.4
151.00378	9.6
159.34752	2.5
161.04565	3.0
166.99963	3.9
168.00612	16.1
169.01427	36.2
170.01660	2.6
175.04037	3.0
179.05594	4.2
183.02971	22.4
193.01392	5.1
197.87234	2.6
205.12277	3.4
210.01724	4.5
211.02446	16.6
225.04018	7.5
225.11603	2.9
255.03091	6.1
257.11758	3.4
271.04520	14.4
284.03317	5.6
285.03656	4.6
285.11282	2.8
286.03970	4.8
293.21585	2.7
298.08353	6.8
313.05701	7.2
313.10928	3.4
320.47696	2.8
324.09888	3.0
325.10953	3.9
341.10361	25.8
356.12561	10.8
371.15048	48.5
372.15494	3.2
403.12891	3.0
551.14227	5.3
551.21436	100.0
551.30847	15.4
552.22461	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	551.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74810	1.0
57.03455	2.0
59.01394	13.6
60.51572	0.9
60.99314	15.2
61.98835	22.1
62.88094	1.0
63.42299	0.9
70.35954	2.8
70.36308	2.3
71.01388	7.5
72.99288	1.1
73.02959	2.0
75.00893	1.3
83.01428	1.2
85.02966	2.8
87.00893	3.0
88.00433	3.0
88.98817	85.2
89.02447	16.2
95.01403	2.2
96.96017	9.5
97.02942	1.4
98.19975	1.2
100.29075	0.9
101.02467	5.2
107.01425	3.3
108.86946	1.1
111.00916	3.3
113.02474	2.9
117.05576	1.1
119.05028	1.6
121.02969	1.2
123.00901	15.4
124.01704	5.0
125.02451	16.9
132.46886	1.1
135.04596	1.4
137.02475	4.9
139.00417	4.9
139.04070	6.5
140.01215	3.6
141.02014	1.4
149.02412	1.2
150.03261	2.2
151.00365	8.6
153.01953	1.5
161.04645	1.6
161.09718	1.4
163.04012	1.7
165.01985	2.1
165.05582	2.8
168.00665	5.1
168.04321	1.6
169.01451	22.8
170.01930	1.2
170.33601	1.3
179.03481	2.3
179.07195	1.5
183.02972	1.3
183.06621	6.0
183.10284	1.5
189.09282	1.3
205.05069	1.3
211.02585	3.5
271.04736	1.6
313.05762	1.1
355.05139	1.0
450.87967	1.4
477.18082	2.6
491.32993	1.9
533.20038	1.2
551.25220	100.0
552.25708	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21538	0.8
57.03462	0.8
57.31804	0.8
59.01388	5.5
60.99312	15.4
61.98834	12.9
71.01397	2.5
73.02979	0.8
73.75210	0.7
85.02950	1.9
87.00864	0.8
88.00431	1.1
88.98813	100.0
89.02441	8.0
89.99155	1.1
96.96017	2.6
101.02449	3.0
107.01376	1.1
109.02979	1.0
111.00913	0.9
113.02435	1.1
121.02940	1.1
123.00910	3.6
124.01680	1.7
125.02448	3.7
133.03023	1.0
135.04533	2.1
139.04004	2.2
149.04515	0.7
151.00383	3.2
153.01920	1.0
153.05670	0.8
160.01637	1.3
161.02438	4.2
163.04082	0.8
168.00652	1.8
169.01376	4.7
175.04012	0.8
179.03473	1.6
183.02954	1.0
183.10292	1.2
186.43588	0.9
198.56648	0.7
211.02415	1.2
229.37762	0.9
230.19562	0.8
271.04703	1.8
313.05762	1.0
320.63681	0.8
389.19495	1.3
551.25031	23.8
552.25146	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	551.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89797	0.9
55.01870	1.1
57.03456	2.0
59.01381	17.1
59.15891	1.0
60.99310	12.9
61.98829	13.5
67.01910	1.9
69.03496	1.3
69.35348	0.9
69.61173	1.9
69.61586	4.9
71.01391	9.6
71.79421	0.9
72.99304	1.3
73.02967	2.3
74.62650	0.9
75.00917	1.9
83.01405	2.3
85.02959	4.2
87.00879	4.4
88.98812	88.0
89.02453	4.8
93.03462	1.2
95.01411	2.5
96.96011	9.6
97.02958	1.2
98.20625	1.4
99.00896	1.4
101.02486	4.8
107.01392	2.8
107.05035	3.2
111.00851	1.5
113.02476	3.8
117.05598	1.0
119.03503	1.0
123.00893	15.1
123.04529	3.1
124.01671	31.7
125.02457	19.9
135.04512	4.7
136.98859	1.8
137.02469	1.7
139.00380	4.4
139.04033	20.9
140.01208	2.4
141.01947	1.4
151.00391	7.3
153.01950	2.1
161.02524	1.2
161.04559	3.4
161.08403	1.4
161.09692	9.1
161.13380	3.8
163.11246	1.4
165.01944	1.2
168.00618	5.8
168.04353	1.1
169.01436	17.4
179.03517	3.4
179.10794	2.3
183.03008	2.8
183.06624	2.9
183.13857	2.4
187.11295	10.3
189.09227	5.8
203.10762	1.2
205.12326	4.5
207.10272	4.5
211.02496	5.3
227.24988	1.2
249.11362	4.3
267.12448	1.9
271.04468	2.7
283.08356	1.2
551.25464	100.0
552.25989	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01386	13.0
60.71480	0.8
61.98524	1.3
61.98834	24.6
67.01870	1.1
69.46431	3.7
69.46851	2.2
71.01387	7.3
71.05023	1.1
72.99288	1.5
73.02954	2.2
79.01901	0.7
83.01390	2.0
85.02951	3.0
87.00888	1.7
88.98818	0.8
89.02442	2.5
95.01377	2.5
96.96021	3.9
97.02935	0.7
97.06554	0.7
99.00871	1.3
100.99914	0.7
101.02473	4.9
101.03046	1.1
107.01398	3.9
109.02950	1.3
111.00868	2.0
111.25798	0.7
113.02457	2.4
117.05569	3.3
119.03504	0.9
119.05025	2.2
123.00894	15.2
123.04568	0.9
124.01646	2.2
125.02453	19.4
126.02804	1.1
133.02953	1.5
133.76097	0.7
135.04559	4.6
136.98801	1.1
137.02423	1.2
138.05556	0.8
139.00403	5.9
139.03981	3.9
140.01170	3.7
141.01942	2.4
151.00365	14.5
151.03967	1.7
152.00685	2.2
153.01958	1.0
153.05536	1.0
161.02438	8.4
161.09680	0.9
163.04005	1.2
164.04590	0.9
167.03500	0.8
168.00627	4.1
168.99947	1.4
169.01433	23.8
170.01712	2.2
179.03470	1.1
181.05130	0.8
183.02957	1.6
183.06549	0.8
195.06758	0.7
195.11624	0.8
211.02423	1.8
239.36147	0.9
271.04590	2.6
287.05511	1.3
288.05847	1.1
311.05728	0.9
312.06152	1.6
313.05884	2.2
327.08823	2.2
328.09201	4.5
487.21863	100.0
488.22174	8.3
550.24054	11.7
550.31958	1.5
551.08521	1.2
551.25580	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	550.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77844	1.9
55.64556	1.9
59.01371	2.1
61.98834	100.0
65.27255	1.6
69.76717	11.6
74.72928	1.7
97.74228	1.7
116.92845	5.3
118.46143	1.8
138.12871	2.3
226.19327	1.8
385.41998	1.8
545.03595	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	550.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
59.17492	0.4
61.98835	100.0
64.47432	0.4
65.35760	0.4
69.52966	3.9
82.61380	0.6
82.76842	0.4
98.19870	0.6
113.18728	0.6
115.31921	0.6
116.92886	1.6
125.02476	0.5
131.51297	0.5
153.05602	0.8
197.46428	0.5
212.75240	0.5
274.04419	0.5
411.88116	0.5
454.04080	0.5
551.26587	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	550.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.9
58.57465	0.9
59.01381	8.7
61.98834	23.0
64.42921	0.9
67.01886	0.9
67.45200	0.8
71.01385	6.3
73.02956	1.7
77.10969	0.8
78.30999	0.7
83.01395	2.1
83.41521	0.9
85.02930	1.7
85.49960	0.8
89.02444	1.7
95.01376	1.6
96.96027	1.7
98.19846	1.9
101.02433	3.0
107.01370	4.7
111.00868	2.9
113.02478	1.9
119.05099	0.8
121.02960	2.1
122.03397	0.8
123.00084	1.4
123.00900	15.3
125.02465	18.4
126.02795	1.4
127.00333	1.6
136.05325	1.1
136.98842	2.2
137.02446	2.0
138.01921	1.4
139.00380	6.9
140.01198	4.3
141.01968	1.6
151.00395	11.8
152.00644	0.8
153.01826	1.2
168.00670	6.1
169.01442	27.2
170.01782	2.3
181.08728	5.1
182.09003	1.5
193.04970	1.3
211.02464	3.3
212.02879	1.2
229.61974	1.1
271.04599	5.4
272.04916	2.5
311.09229	2.3
313.05719	2.4
414.66519	0.9
472.56332	0.8
487.21857	100.0
488.22275	11.1
545.24847	0.7
550.23682	24.0
551.08667	0.8
551.25098	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	549.3224
Annotation	Revandchinone 1
Peak:m/z	Relative Intensity
71.86862	0.8
79.24406	0.8
83.01409	1.8
95.01407	0.9
96.15678	0.9
107.05079	2.0
107.08638	0.8
108.02177	2.0
109.02940	2.0
115.92091	1.1
121.02921	1.0
123.04522	2.2
124.01645	2.7
125.02485	1.4
125.50896	0.9
133.02942	1.1
134.03781	6.7
135.04530	1.4
137.02451	6.9
149.06099	4.8
151.00371	1.1
151.04036	5.7
152.01181	1.0
152.04756	1.8
153.05540	2.3
159.04539	0.9
163.00371	1.3
165.01874	1.4
177.01913	2.0
178.02725	1.1
179.03479	5.6
180.04295	9.9
185.05963	1.5
188.04701	1.1
193.04987	1.3
194.05814	3.4
205.05064	1.9
207.06676	4.4
208.07281	1.2
212.03189	1.0
221.08202	1.2
227.07069	1.8
228.07793	1.0
235.09660	1.4
236.10504	1.3
261.11292	1.1
289.14517	1.5
303.23264	2.2
329.17584	6.2
343.19040	1.4
343.26425	1.1
363.79996	0.9
369.27975	3.4
385.23901	1.4
386.24579	2.8
387.25330	8.3
399.25403	21.3
400.25616	1.9
411.25198	2.0
413.27011	12.6
505.32874	1.0
549.32202	100.0
550.32556	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	550.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	15.1
61.98815	8.4
63.30964	2.6
64.61407	2.7
69.50031	19.8
71.01389	30.2
72.99310	6.6
73.02952	3.3
83.01398	3.6
85.02948	9.5
87.00884	62.2
88.98808	3.3
89.02408	14.7
91.15100	2.5
92.05087	14.8
95.01385	7.4
96.96013	19.6
97.02927	3.5
98.20691	5.3
98.99095	4.9
99.00895	3.1
101.02423	14.3
107.01392	15.0
109.02925	5.4
111.00897	4.1
113.02455	6.7
116.92860	8.9
118.02985	5.1
119.03428	3.3
120.04560	3.7
123.00867	25.2
124.01707	3.0
125.02449	86.1
126.98635	6.0
130.06615	12.0
132.04561	3.9
135.04565	3.3
137.02441	6.6
139.00356	12.0
139.04010	3.9
140.01152	11.2
144.04630	15.0
145.03014	5.4
146.02464	10.4
146.06143	11.5
148.04045	23.9
149.02466	3.3
150.02960	3.3
151.00348	12.5
151.81856	3.1
156.04562	6.5
159.04549	3.6
161.02470	6.8
163.00356	5.0
163.04021	6.1
164.01147	11.6
165.01917	6.1
166.99889	7.2
168.00668	18.7
169.01448	100.0
170.01740	5.0
172.04018	10.0
173.02364	3.2
173.04811	10.8
174.03186	3.2
174.05644	29.7
175.04016	5.3
177.02042	5.0
182.97571	27.8
185.02274	3.4
187.04027	4.0
189.01961	2.9
190.02602	3.0
190.05150	2.9
191.03549	4.8
192.00635	13.6
193.01457	7.8
200.03564	6.8
201.01888	8.3
203.03493	14.3
205.35638	3.1
209.00851	3.8
211.02512	40.0
217.01335	3.4
219.02992	3.5
229.01443	11.1
231.02985	12.8
236.05763	3.5
245.00977	5.4
247.02426	7.5
248.03249	7.6
249.03964	20.5
249.06224	11.7
257.00836	9.8
258.01642	3.4
271.04617	57.6
273.00256	5.6
275.01947	42.5
276.02298	6.3
287.48474	3.5
299.99261	5.7
300.99863	68.8
302.00186	11.3
313.05750	19.9
331.06778	13.9
345.02444	4.0
357.08392	9.8
389.05432	14.2
398.10959	63.3
399.11087	5.0
401.07224	24.6
463.07123	3.4
467.02917	3.8
475.03348	3.3
488.11963	18.5
507.07880	20.7
532.03302	6.3
532.11005	86.2
533.11456	7.6
550.11957	84.1
550.20422	4.4
551.12891	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	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.1
58.00581	0.6
58.07068	0.6
59.01385	10.4
61.25296	0.6
61.98844	5.9
63.02394	1.5
65.00331	12.8
66.03501	1.1
69.30595	4.3
71.01376	4.1
71.05032	0.8
72.76961	0.7
72.99346	0.9
73.02953	1.4
75.00900	0.7
83.01399	8.1
84.08514	0.7
85.02992	1.2
89.02467	3.0
93.03518	0.9
94.64113	0.6
95.01428	0.8
96.96014	5.8
97.02950	1.0
98.95580	1.1
100.23937	0.6
101.02459	2.9
101.06125	1.2
107.01403	22.5
107.05089	0.6
108.02192	0.8
109.02968	4.7
113.02486	1.4
117.03495	0.9
117.05572	1.8
119.03510	1.0
119.05032	4.1
121.03005	1.5
123.00909	1.1
123.04554	2.1
124.01691	1.6
125.02458	41.6
126.02788	0.7
131.01416	1.6
133.02959	1.8
134.03789	0.9
135.04536	65.8
136.04875	1.8
137.02463	2.9
138.55537	0.6
139.04024	2.1
139.11282	1.4
140.01132	0.6
143.03546	0.6
145.02962	2.0
149.02464	4.7
149.04628	0.6
151.00385	99.9
152.00829	2.7
153.01961	8.5
161.02464	5.4
161.04564	0.7
163.04018	3.1
165.01961	1.3
167.03561	0.7
168.00620	0.7
169.01447	4.3
174.03265	0.7
175.00386	7.4
175.03998	3.2
177.01936	7.9
178.99866	4.7
179.03461	1.0
179.05576	0.9
179.10771	0.7
181.01411	3.9
181.08713	1.9
181.12317	0.7
183.10263	2.1
188.04826	0.7
189.05615	0.8
190.02713	0.9
191.03564	0.8
193.01445	3.2
195.03003	0.7
199.04001	2.1
200.97594	0.6
201.01921	1.2
205.01436	0.7
205.05072	1.6
217.05046	2.2
225.11293	1.4
239.61908	0.6
240.08614	0.7
241.05058	2.1
243.12282	3.3
259.06192	1.1
269.04532	0.7
275.05637	8.0
285.04062	18.5
285.13382	1.1
286.04340	1.1
287.05627	100.0
288.06046	5.6
299.05591	3.1
303.05054	24.0
304.05380	1.4
311.05362	0.8
327.05157	0.7
329.06863	1.0
340.19318	0.6
345.15726	0.7
387.27737	1.0
425.10965	2.3
427.12347	2.6
431.09464	0.7
486.19797	1.5
487.21579	0.7
521.16699	1.2
531.15051	1.7
549.16022	2.2
549.24207	12.2
549.33844	1.2
550.24377	1.2
556.13000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.7
61.98826	4.5
67.01916	1.1
69.16934	0.9
69.51095	4.7
69.51523	3.0
71.01393	5.6
71.77945	1.3
72.99311	3.0
73.02956	3.1
74.99116	1.7
75.00873	1.3
85.02938	2.5
87.00872	3.5
89.02445	3.4
91.97211	0.9
93.03451	1.2
95.01373	1.5
96.54288	0.9
96.96015	12.5
97.02961	1.3
99.00883	2.9
101.02466	2.9
103.04047	2.3
107.01363	1.5
108.04572	1.3
109.02946	2.5
111.00891	2.6
113.02441	2.4
116.86775	1.0
116.92902	2.9
119.03568	1.2
119.63382	1.1
120.99646	1.4
122.06136	2.9
123.00910	4.2
123.04538	1.5
124.01690	1.2
125.02464	13.6
132.04605	1.0
133.03030	1.1
134.06171	1.1
137.02457	2.7
138.03197	1.4
139.00360	1.3
141.01950	1.5
144.04584	1.5
145.02974	1.8
146.06133	1.5
151.00421	2.1
153.01964	13.8
159.03033	1.8
160.04124	1.2
161.02454	2.8
161.04680	2.1
163.04073	1.5
165.01958	2.2
168.00633	1.6
169.01437	14.9
172.03999	2.5
174.05656	2.4
175.02524	1.8
175.03938	1.3
177.01845	1.4
181.01442	4.9
191.05621	1.1
195.06654	2.2
197.01031	2.3
201.01910	1.3
202.05148	1.7
203.03510	1.5
204.06694	4.6
211.02461	3.1
218.04634	1.3
231.03029	1.5
232.06133	1.5
238.11040	1.6
245.00917	1.2
247.02336	2.0
248.03140	1.3
249.04022	2.9
253.13554	4.0
254.11819	1.1
267.07874	2.5
267.11530	1.6
268.08563	1.4
269.09213	1.3
271.04529	5.4
275.02020	5.4
278.11032	1.5
280.08252	1.6
281.09290	1.5
281.13312	1.0
282.10129	1.8
283.10913	2.3
295.10983	3.8
295.14328	1.1
296.11658	1.5
297.12427	14.3
299.09140	1.3
299.99197	1.6
300.99878	9.0
302.00296	1.8
309.12549	3.8
323.10400	3.4
325.07709	2.1
325.11920	8.4
326.12408	1.2
335.10489	2.1
337.11929	2.5
339.13464	3.6
341.11322	1.2
353.11398	7.1
355.13022	11.6
359.06354	3.7
369.06186	2.2
369.10709	2.4
381.10760	1.5
397.10208	2.5
399.12054	3.1
401.13620	3.0
410.45682	1.2
415.15231	2.4
429.13184	4.5
431.14471	6.2
447.13943	1.7
469.16571	1.2
487.16818	2.5
505.09583	7.2
517.14868	2.1
521.18353	1.2
531.16058	2.8
549.17371	100.0
550.17798	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	549.1253
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
59.01387	1.1
61.98837	1.7
65.00336	0.7
69.63596	0.8
69.63995	2.3
73.02955	0.5
83.01379	0.7
89.02470	0.6
93.03464	0.6
96.96078	0.5
101.02444	0.6
107.01375	1.9
123.00922	0.5
125.02467	1.4
132.02203	1.5
135.00894	1.1
141.31184	0.4
145.03003	0.9
151.00339	2.7
157.79549	0.4
159.04503	0.7
163.00389	1.1
164.01183	0.8
169.01460	1.2
178.99905	1.8
183.04523	0.7
185.06108	0.5
185.37575	0.5
187.04018	0.6
199.03952	0.4
211.02292	0.5
211.04008	1.4
227.03505	34.0
228.03932	1.4
229.05051	3.0
239.03429	0.9
253.41571	0.5
254.65298	0.4
255.02997	68.0
256.03555	7.5
257.04514	2.1
283.02365	0.6
284.03268	100.0
285.03970	21.0
286.04309	0.9
295.61685	0.6
326.40698	0.5
387.14685	0.6
399.07300	1.9
417.08377	0.7
503.24994	0.6
549.12488	76.2
550.12781	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	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26261	0.2
59.01379	1.8
61.98837	2.9
71.01389	0.2
77.03964	1.8
93.03481	0.3
96.96011	0.2
98.20644	0.4
104.38691	0.2
120.12102	0.2
121.02966	100.0
122.03317	2.4
137.02502	0.3
147.04504	0.3
155.54689	0.2
165.01939	51.5
166.02269	1.5
180.05798	0.6
181.06631	2.5
191.03485	0.2
197.06081	2.2
207.04491	0.9
207.08115	0.4
223.04150	0.3
225.05602	1.5
257.09726	0.8
313.07211	1.3
357.06174	0.9
373.11081	0.3
383.07697	0.6
417.09775	2.0
505.11642	1.3
512.52246	0.2
549.10413	27.6
549.28705	0.5
550.10657	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	549.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96974	0.3
59.01391	2.4
61.98832	4.0
63.02428	0.7
69.71529	1.8
71.56579	0.3
73.02940	0.4
83.01392	0.4
84.22194	0.3
84.91593	0.3
85.02960	0.5
89.02469	1.3
93.03487	0.6
95.01387	0.4
95.41674	0.3
96.96039	0.4
99.00913	0.4
101.02445	1.4
107.01383	2.2
109.02934	0.5
113.02477	0.9
117.03513	0.4
117.05572	1.3
119.03521	0.5
119.05013	0.5
123.00925	0.7
125.02474	3.9
125.03313	0.5
127.24268	0.3
127.98177	0.3
131.03487	0.4
132.02168	0.9
135.00880	1.2
138.42906	0.3
143.05186	0.4
145.02963	1.4
151.00388	3.4
151.04027	0.8
152.01173	0.5
159.04510	0.6
161.02530	0.4
163.00360	1.2
163.04008	0.4
164.01144	0.5
169.01474	2.5
178.99860	2.7
179.03482	0.4
181.05095	0.6
183.04503	0.9
185.02444	0.4
185.06151	0.6
187.03993	1.0
199.03966	0.7
200.04919	0.4
211.02319	0.7
211.04021	1.2
212.04784	0.3
213.02199	0.4
213.05629	0.5
225.11317	0.6
227.03513	35.0
228.03909	2.3
229.05016	3.2
239.03464	1.2
255.02997	69.6
256.03598	7.6
257.04541	2.0
259.06128	1.0
267.03024	0.4
271.01556	0.3
271.04446	1.7
283.02432	0.7
284.03275	100.0
285.03961	20.9
286.04303	0.8
287.05530	0.4
313.05798	0.5
387.14676	0.9
399.07233	1.7
417.08371	0.6
503.24771	0.8
549.12476	76.2
550.12781	6.6
550.20593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55851	0.7
57.03431	1.3
59.01382	17.7
61.98833	81.9
64.52081	0.8
69.53667	5.3
71.01385	5.9
72.99310	1.7
73.02937	1.8
83.01373	1.0
85.02964	1.2
87.00848	1.0
88.98837	1.1
89.02458	4.1
93.03448	0.7
95.01373	1.3
96.96024	4.0
98.19837	0.7
99.00897	0.9
99.04508	0.9
101.02436	3.6
107.01376	1.6
109.02950	2.7
111.00936	0.8
113.02455	2.1
114.04082	0.7
117.05573	3.0
119.03494	1.0
119.05056	0.7
123.00872	3.3
123.04488	0.7
125.02449	8.3
132.02168	1.6
133.02965	7.2
134.03320	0.8
135.03238	0.7
135.04518	2.5
137.02428	2.8
138.05548	0.8
139.00328	0.9
139.96281	0.7
140.01102	1.0
144.02216	1.0
145.02943	2.8
151.00362	3.8
156.02174	2.9
160.01613	4.1
161.02454	18.5
161.04503	1.4
162.02831	3.4
163.02956	1.0
164.03543	1.7
168.00705	2.1
169.01437	10.7
175.03998	2.1
176.01149	1.0
179.03503	1.6
181.01489	0.7
184.01691	3.5
200.01219	3.7
209.02457	1.1
211.02519	7.6
212.01082	2.3
218.73010	1.0
225.11209	1.4
226.99809	1.3
228.00587	2.1
240.00662	11.4
254.99379	1.1
256.00122	2.5
271.04547	17.5
281.00851	2.1
282.98822	1.7
283.99600	6.6
285.00183	1.4
285.04089	1.5
287.05469	0.9
300.99741	1.0
303.04993	1.3
310.98502	1.2
311.99115	79.7
312.99765	11.9
324.99921	2.2
327.01456	100.0
328.01862	6.9
331.06622	2.8
336.99973	3.9
369.02261	1.8
451.40182	0.9
454.20746	0.8
471.24976	0.7
484.18427	1.2
485.19580	1.2
486.19839	4.7
487.21707	1.1
489.40030	0.8
531.23743	0.9
547.16876	0.9
548.22253	4.8
549.07404	0.8
549.23663	13.3
550.23035	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	548.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79442	0.2
57.03456	0.2
57.07048	0.2
58.64684	0.2
59.01382	1.5
61.98833	100.0
63.78078	0.2
69.66275	0.3
69.66685	0.6
71.01393	1.1
71.84152	0.2
73.02961	0.4
79.95792	0.2
83.01382	0.2
83.51518	0.2
85.02971	0.4
87.00904	0.2
88.98806	0.5
89.02458	0.6
96.96018	0.8
97.02979	0.3
101.02449	1.0
107.01444	0.2
109.02933	0.3
113.02477	0.6
114.02767	0.2
116.05029	0.3
117.05585	1.2
118.05931	0.4
119.05051	1.1
119.05964	0.3
123.00897	0.9
125.02447	3.0
133.02988	0.3
135.04564	0.5
140.01157	0.2
141.01941	0.2
141.80193	0.2
145.02971	0.4
151.00403	0.4
155.63486	0.2
160.04099	0.3
161.02443	0.9
161.04575	0.2
163.04027	0.7
165.32063	0.2
168.00601	0.2
169.01428	1.8
179.03531	0.5
179.10820	0.5
180.06720	0.5
180.11127	0.2
181.12367	0.2
203.10803	0.3
204.11130	0.2
224.10109	0.2
225.11162	0.3
271.04547	0.4
304.08374	0.4
313.05646	0.4
326.13229	0.3
386.15451	0.5
449.11047	0.5
485.19916	2.8
548.08575	1.0
548.23889	0.5
549.16473	2.1
549.23938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
58.57816	1.1
59.01382	100.0
60.99302	1.2
61.41256	1.1
61.98840	21.1
69.23168	1.1
78.78388	0.9
85.06582	1.7
97.02950	1.6
99.92589	1.4
111.04510	2.1
114.02144	1.1
125.02455	1.5
153.05580	19.4
187.49095	1.1
193.90617	1.3
281.88556	1.4
381.04700	1.1
385.23666	7.4
390.00882	1.3
393.28091	1.4
407.29242	1.5
409.31073	8.1
423.32553	6.2
425.34354	10.8
440.25137	1.6
443.35303	2.2
469.33340	11.3
470.33655	2.0
484.24307	9.1
487.34277	16.9
488.34799	2.9
547.28424	1.4
547.36578	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	548.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
57.10049	1.1
59.01385	12.9
61.98835	55.3
69.03462	1.4
69.41219	9.7
71.01399	8.1
75.00923	1.5
85.02985	1.7
89.02448	5.3
95.01389	2.6
96.96021	1.6
99.00893	1.2
101.02455	3.7
107.01406	4.6
111.00914	3.4
113.02457	2.4
121.02930	1.5
123.00902	13.4
125.02454	23.1
127.00420	1.2
135.04517	2.9
136.07623	1.3
136.98836	1.1
137.06075	2.0
139.00377	2.5
139.03928	1.3
139.48366	1.2
140.01155	5.0
151.00410	8.2
159.35754	1.3
168.00604	7.7
169.01434	39.7
169.02814	2.6
180.06657	1.5
181.05066	5.5
191.53546	1.2
209.19142	1.9
210.19432	3.0
211.02499	29.1
212.03062	1.2
222.65450	1.1
241.03513	1.5
244.19614	1.1
253.18089	2.9
271.01755	2.8
271.04614	47.6
272.04752	1.4
318.38275	1.3
331.06772	5.0
340.29456	1.3
469.83365	1.2
485.20325	100.0
486.20639	10.4
548.22131	3.4
549.23419	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	548.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01382	11.3
61.98836	100.0
71.01389	5.5
71.61288	1.0
72.99326	0.8
73.02954	1.3
83.01400	1.2
85.02966	1.8
87.00887	2.4
89.02448	4.2
93.03437	0.9
95.01397	0.7
96.96045	1.7
99.04542	0.8
101.02462	2.1
107.01423	1.6
109.02940	0.6
109.06631	0.9
111.00906	0.7
113.02473	2.2
115.92947	0.7
117.05614	1.0
121.02972	12.1
121.36510	0.7
123.00875	4.7
123.04538	0.9
124.01699	0.6
125.02460	12.0
133.03003	0.9
135.04587	1.9
137.02481	1.3
138.02055	0.9
139.00406	1.8
139.04073	0.6
140.01167	1.2
141.02019	1.0
146.03600	0.7
149.04646	0.6
151.00363	3.4
153.09279	0.7
153.32269	0.7
160.01674	1.4
161.02495	1.5
167.03455	0.9
168.00694	3.6
169.01437	14.8
170.01764	0.8
175.04085	2.0
179.03593	0.8
179.07153	1.2
179.10783	0.9
180.03960	0.6
180.07584	0.6
181.05098	2.5
203.99200	0.6
211.02513	12.9
211.04333	1.2
212.02921	0.8
220.88953	0.7
253.18150	4.7
254.18600	2.9
271.04611	15.1
271.07449	0.8
272.04895	0.8
285.04065	0.7
319.50909	0.8
331.06787	1.0
485.20316	26.1
486.20892	2.2
521.65491	0.7
548.14429	1.3
548.22455	3.5
549.16107	0.7
549.23389	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	547.3074
Annotation	Schweinfurthin A
Peak:m/z	Relative Intensity
69.68919	3.0
72.23106	0.5
79.01920	1.5
107.05064	0.9
109.06593	1.7
111.04523	1.8
123.04530	1.5
124.01645	0.7
134.03734	0.7
135.04530	1.7
137.02489	1.0
149.06142	0.7
151.04039	3.8
151.07637	0.7
152.04840	4.5
152.79642	0.5
153.05582	6.1
161.06142	0.5
165.01944	3.0
165.05588	0.9
177.01971	0.9
177.09258	0.5
179.03516	11.7
179.07104	1.0
180.04300	23.5
181.04665	0.6
184.03816	1.2
193.05106	3.2
194.05836	8.4
207.06648	12.1
208.07372	1.5
212.03314	2.9
221.08264	3.7
226.04808	1.3
235.09750	5.0
236.10500	1.5
240.06508	0.7
245.15546	0.8
249.11320	1.5
261.11420	0.8
263.74774	0.6
273.18436	0.6
275.12885	1.0
276.13705	0.7
285.18750	0.6
289.14499	4.8
290.15091	0.7
301.14566	0.6
303.15982	0.6
311.57617	0.5
315.15994	3.6
316.16705	1.2
317.17325	0.5
329.17670	3.7
339.12695	0.5
339.23190	0.8
341.17722	0.7
355.19199	4.4
369.20627	2.8
383.22293	3.2
384.22919	4.1
385.23816	10.7
386.24268	1.1
423.62213	0.7
547.30701	100.0
548.30988	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74237	0.4
59.01385	100.0
60.01721	0.8
61.98833	2.1
69.52776	3.0
72.30540	0.4
75.00887	0.5
83.19989	0.4
85.62236	0.4
87.28069	0.4
116.92899	0.5
129.07005	0.4
143.16946	0.5
186.48494	0.4
226.31729	0.5
274.86447	0.4
373.20676	0.5
436.89777	0.5
463.27216	1.1
471.35056	1.1
547.29004	0.8
547.36554	3.6
548.37036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39492	8.5
59.01381	100.0
61.98837	97.1
64.15418	10.8
66.16325	8.3
69.98054	26.0
69.98450	14.4
77.35207	8.4
91.00005	9.3
96.96000	39.1
125.02409	11.1
147.03838	9.8
487.34012	31.9
547.29871	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04187	0.3
53.37984	0.4
53.59905	0.3
59.01383	100.0
60.01726	0.4
61.98828	0.8
69.58389	1.5
69.58799	0.7
77.29493	0.4
98.20650	0.4
116.92879	0.3
119.05053	1.1
121.02972	0.7
125.02505	0.3
125.94157	0.4
139.04224	0.3
162.87541	0.3
163.04033	1.7
223.78781	0.4
547.29260	0.5
547.36951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
57.93475	0.8
59.01379	14.4
61.98830	12.8
69.49246	2.4
69.49663	3.2
71.01386	11.6
71.05035	0.9
73.02956	2.6
75.00859	1.1
75.28102	0.7
83.01389	1.6
85.02970	4.1
86.17612	0.7
87.00890	1.6
88.98820	1.0
89.02448	7.5
89.03961	0.7
95.01394	0.8
96.96016	2.0
97.02995	1.6
101.02449	5.8
102.76109	0.8
107.05016	0.9
107.97280	0.7
109.02941	1.3
113.02460	5.2
117.03473	26.1
117.05573	5.9
119.03519	2.2
119.05027	18.4
121.02975	1.2
122.03748	2.6
123.00917	1.3
125.02462	2.7
126.02866	0.8
131.03519	1.0
133.02959	2.4
133.06584	2.4
135.04523	6.6
135.11804	2.1
137.06154	1.0
139.00389	1.1
139.07674	3.2
145.02957	100.0
146.03275	4.4
149.09648	0.8
151.00381	1.3
159.11829	0.9
161.02454	8.3
161.03531	1.1
161.04684	1.5
161.06090	7.3
161.09727	3.3
163.04007	32.9
168.07915	3.3
169.01447	2.8
175.04034	1.0
177.05573	4.4
179.03531	7.0
179.10748	8.4
191.10765	1.2
203.10883	4.8
205.05048	10.5
221.04491	1.6
221.11841	2.3
223.09853	3.6
235.06085	3.5
251.05580	3.3
265.07169	5.8
266.07593	0.9
281.06665	4.0
297.12006	1.2
303.82700	0.8
307.08163	2.2
325.09427	1.1
325.12796	3.7
341.11246	1.8
385.15042	4.4
457.17139	1.2
484.19043	11.4
485.19708	2.5
503.34656	0.8
517.20502	3.0
529.20941	2.1
547.21814	68.0
548.22131	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	547.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	0.4
57.35501	0.4
59.01388	3.5
61.98838	8.8
65.00340	1.1
71.01393	2.2
71.12792	0.6
71.13115	0.8
73.02941	0.7
83.01395	1.0
85.02955	0.7
89.02454	1.6
96.96018	2.1
101.02452	1.6
107.01390	3.0
108.02187	1.6
109.02952	1.1
113.02468	1.1
117.03504	0.6
119.03492	0.5
121.02988	1.3
123.00927	0.7
125.02469	1.3
133.02913	0.5
135.00919	1.3
135.04546	4.9
139.04033	2.1
145.03001	0.7
148.01714	1.1
151.00372	8.2
161.02354	0.6
163.00398	1.8
164.01154	1.2
169.01460	1.6
178.99910	3.1
179.03516	1.2
183.04410	0.7
187.03963	0.8
199.03896	1.2
209.11821	0.5
211.03984	0.8
215.03467	0.7
216.04228	0.7
226.02718	1.8
227.03520	3.1
243.03020	14.1
244.03572	0.8
245.04668	0.8
254.02249	3.2
255.03014	26.0
256.03394	1.7
268.20087	0.5
271.02487	70.9
272.02930	6.2
283.02417	1.3
299.02322	1.1
300.02771	100.0
301.03467	30.3
302.04022	1.6
343.04468	0.8
452.18292	0.5
463.08743	1.3
547.14600	71.6
547.31512	2.5
548.14996	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	547.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
57.03444	7.9
58.00599	3.8
59.01383	91.4
61.98830	37.1
64.24306	3.3
69.03446	5.6
69.54935	26.6
71.01387	74.4
71.04999	4.2
72.99299	6.1
73.02956	22.4
73.43159	3.6
75.00861	13.0
76.78479	3.4
81.03430	4.8
83.01373	12.3
83.05051	4.4
85.02978	30.7
87.00861	12.2
89.02456	61.5
95.01376	8.5
96.63033	3.5
96.95997	10.7
97.02950	7.6
99.00879	9.7
101.02459	57.6
101.03098	6.5
102.19573	4.0
103.04039	3.6
107.05016	4.4
109.06590	3.9
113.02465	43.4
114.86887	3.3
117.05560	9.0
119.03513	25.7
120.05802	7.4
125.02430	23.3
131.03508	8.1
133.10268	3.9
135.06633	7.2
135.11810	6.7
139.00356	3.5
143.03484	9.3
146.07285	3.8
148.05356	21.1
149.09750	4.3
159.08121	6.2
159.11841	3.7
161.04578	28.0
161.09708	33.3
161.13322	5.8
163.07651	10.1
163.11256	5.5
163.56451	3.9
168.41147	3.4
169.01338	12.1
177.12778	5.0
179.05659	17.8
179.10774	36.5
187.11275	18.9
189.09143	10.7
191.73395	4.9
193.12337	4.9
203.10764	16.0
205.12178	7.9
207.10204	4.7
221.06648	13.5
221.11765	15.4
223.09738	18.2
249.11313	11.3
263.07712	4.0
264.91159	3.4
265.10718	8.9
295.11865	5.6
297.11862	12.8
323.09842	20.6
325.13016	29.4
341.10812	7.5
385.15015	22.5
385.19208	4.4
427.16089	10.2
484.19174	19.8
547.24200	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	547.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88301	0.4
57.03419	0.6
59.01379	5.2
59.03625	0.4
61.98832	6.3
69.40097	1.3
69.40519	1.9
71.01394	2.2
72.99310	0.6
73.02949	0.8
79.95754	0.6
85.02941	0.8
87.00867	0.6
89.02446	1.5
96.96024	2.2
98.19932	1.0
99.00880	0.4
101.02442	1.2
101.06096	1.3
113.02435	0.8
117.03474	1.4
117.05582	1.5
119.03523	0.6
119.05013	0.7
123.00894	1.2
125.02441	2.2
132.02121	0.6
132.13284	0.4
133.02953	1.6
135.04543	2.1
139.00352	0.7
145.02968	4.4
148.01701	0.5
151.00389	0.8
160.01595	0.6
161.02463	5.6
163.04004	1.8
168.00638	0.9
169.01450	2.8
172.01605	2.4
173.02441	0.5
176.01149	0.5
177.05597	0.4
179.03453	2.2
185.02455	1.0
187.00372	0.5
188.01160	1.2
200.01186	2.6
201.01955	0.9
211.02480	1.2
216.00693	4.3
226.99826	0.5
228.00667	1.9
229.01363	2.3
242.99367	1.4
244.00159	4.2
245.00937	0.6
254.99318	0.4
257.00873	1.0
270.98886	1.3
271.04590	1.1
271.99536	1.9
281.06622	0.7
282.98871	1.8
283.99628	1.6
298.98355	1.7
299.99115	100.0
300.99869	62.3
302.00238	2.9
317.64053	0.4
361.74307	0.4
445.03958	0.7
484.19070	2.3
485.19122	0.4
529.20654	0.8
547.10962	76.0
547.21936	9.2
548.11292	8.6
548.21906	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	546.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91984	1.6
52.94202	1.4
59.01385	17.2
61.85800	1.4
61.98827	13.2
69.58853	10.5
71.01386	6.3
71.05051	7.5
73.02938	2.8
76.32175	1.7
79.60056	1.7
83.01417	2.5
85.02971	1.9
87.00866	2.0
87.04562	1.8
89.02471	2.3
96.96030	2.8
99.04516	1.8
101.02438	4.4
102.15836	1.4
107.01379	4.7
111.00878	1.9
111.17036	1.5
113.02456	3.2
117.03532	3.2
117.05589	62.0
118.05904	11.9
123.00910	9.5
125.02479	15.6
133.02969	6.8
135.04515	2.3
139.00397	4.5
140.01155	3.1
140.82083	1.3
145.02913	2.4
151.00378	11.6
160.04013	2.1
161.02457	19.1
163.03931	1.9
168.00635	5.4
168.03828	1.5
169.01456	18.1
179.03452	2.6
297.79202	1.8
300.99847	2.0
465.13419	1.5
483.18765	100.0
484.19019	7.4
545.25952	2.7
546.26080	5.8
547.07751	2.3
547.21899	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03450	3.2
58.00611	1.1
58.88981	0.9
59.01381	17.7
61.98822	5.1
70.13613	4.6
71.01384	21.6
72.99310	3.8
73.02946	4.1
79.95758	1.7
83.01381	4.6
85.02968	7.0
87.00395	0.9
87.00880	24.2
88.98801	1.9
89.02442	8.4
91.41917	1.0
95.01433	1.1
96.96011	31.0
96.96964	1.5
97.02937	1.1
98.95591	14.7
98.96247	1.7
99.00859	3.9
99.04556	1.9
99.92582	7.0
101.02459	7.4
103.04012	2.6
109.02909	2.0
111.00880	5.0
113.02458	5.1
115.00372	33.1
115.91314	1.7
115.92080	13.4
116.92896	5.6
117.05566	1.1
119.03488	1.7
120.99657	1.4
123.00841	2.4
125.02446	7.4
125.06120	1.1
131.03493	1.5
133.02940	1.4
135.04553	1.6
139.00359	12.9
145.02931	1.9
149.02409	1.9
149.04530	2.6
150.03160	2.1
151.00357	1.7
151.03842	1.5
157.01425	21.4
160.04010	1.8
161.02444	1.4
161.04539	2.7
165.02066	1.2
165.05524	4.0
169.01364	6.5
173.02405	1.1
175.02484	65.5
177.01828	1.8
179.03459	1.2
179.05600	1.8
185.02437	1.7
189.01933	3.5
191.03506	1.6
195.06546	1.7
196.06882	1.0
200.01128	1.1
201.01863	2.0
203.03542	1.3
209.08208	1.2
214.99815	2.6
216.00581	2.5
217.01424	3.9
225.95662	1.3
226.96536	2.1
229.01424	3.4
242.99347	8.3
243.99985	2.1
244.97641	3.2
245.00839	1.4
245.98369	1.3
249.04059	2.5
257.00803	2.3
269.98184	1.2
270.98834	61.5
271.99323	3.9
275.01984	2.9
280.08405	1.4
283.99701	1.4
295.10901	4.9
297.12259	1.3
298.98322	78.1
299.99042	34.8
300.99872	65.1
301.10739	1.3
302.00174	3.1
302.11072	1.9
323.10327	1.4
325.11972	1.5
327.13400	3.1
339.09753	1.4
342.22037	1.2
352.74744	1.1
353.91040	4.5
354.91840	4.9
357.05893	2.1
371.12555	5.4
381.90540	4.5
382.91379	14.3
383.92020	9.0
384.92932	25.7
385.93024	1.3
398.90826	4.8
399.91342	3.1
400.92413	13.8
401.13364	1.7
401.92944	1.4
411.91110	1.4
415.02731	1.3
429.13089	3.5
431.15057	1.2
443.14551	1.6
445.03687	1.2
446.04828	5.4
467.14771	2.5
485.15610	5.7
487.13486	2.5
528.96967	2.0
529.97882	6.6
546.98248	100.0
547.22443	2.1
547.98407	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99332	0.7
57.03457	0.6
59.01387	9.5
60.01741	0.9
61.98846	6.6
69.63904	5.1
71.01386	2.8
71.05022	7.8
73.02955	1.3
75.60805	0.6
77.25875	0.7
85.02950	2.2
95.01387	1.0
96.96020	1.3
101.02446	2.6
107.01381	2.4
111.00860	2.2
113.02448	1.5
117.05588	49.9
118.05936	11.0
123.00900	7.9
125.02454	8.7
136.98827	1.1
139.00365	3.4
140.01176	1.8
141.01973	1.0
151.00383	7.6
161.02438	0.7
168.00624	3.0
169.01418	14.7
223.09949	0.8
236.51492	0.7
313.05603	1.4
325.13135	0.9
395.93021	0.8
465.68726	0.8
483.18735	100.0
484.19028	9.4
547.24121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
59.82452	0.9
61.98835	13.9
68.74959	0.7
70.12719	2.9
71.01393	2.6
73.55599	0.7
79.82404	0.8
85.02961	1.3
89.81940	0.8
95.01379	1.1
96.95998	5.0
98.07544	0.8
101.02447	1.1
107.01398	2.7
111.00902	2.1
113.02431	1.1
123.00897	9.4
125.02453	10.5
127.00397	1.1
136.98810	1.6
139.00392	2.6
140.01144	2.7
151.00372	8.1
153.01958	1.0
161.02448	2.9
168.00621	3.2
169.01445	12.0
185.04167	0.8
187.50615	0.8
211.02498	1.3
234.16928	0.8
250.37556	0.9
313.05307	1.2
483.18762	100.0
484.19174	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	546.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25441	0.8
57.03450	2.4
58.00600	1.0
59.01093	1.5
59.01385	25.3
60.01709	0.8
61.98835	15.9
62.70685	0.7
63.69962	0.8
69.03451	2.2
69.27744	8.3
70.28010	0.7
71.01387	18.3
72.99317	1.7
73.01583	0.8
73.02946	4.9
75.00865	2.4
79.95751	2.0
81.03462	1.3
83.01399	2.3
83.05057	1.5
85.02955	4.1
87.00900	4.3
89.02444	11.5
92.90123	0.9
93.03453	1.0
95.01411	2.6
96.96019	42.9
97.02962	3.5
97.95936	1.0
98.19907	1.8
98.95597	2.8
99.00861	1.3
99.04531	0.9
101.02444	14.1
107.01414	3.9
107.05048	1.2
110.17422	1.0
111.00880	2.3
111.04530	1.7
113.02448	7.0
117.05594	1.6
119.03506	5.2
123.00900	12.8
124.01698	0.9
124.04066	0.8
125.02455	19.6
126.02747	1.0
127.00423	0.9
131.03537	1.2
135.04507	1.9
135.06689	1.1
135.11835	2.2
136.98778	1.1
137.02438	0.9
139.00380	4.9
140.01163	3.0
141.01918	1.6
143.03484	2.0
145.02962	1.2
146.08279	0.8
148.05313	2.8
149.04568	1.3
149.09679	1.0
151.00372	9.1
152.08394	1.2
153.01930	1.5
161.02466	1.6
161.04576	4.5
161.09758	4.6
163.07791	0.8
163.11182	1.1
167.06694	1.1
168.00658	3.5
169.01434	24.4
170.01733	1.5
170.54919	0.8
175.11049	0.8
177.04028	3.5
179.03468	1.5
179.05624	4.2
179.10791	6.7
187.11299	2.7
189.09268	1.5
203.10806	2.5
205.12321	1.7
211.02467	4.4
221.06583	1.0
221.11829	2.6
223.09818	4.1
249.11446	1.2
256.61853	0.9
262.07071	1.1
265.10855	1.3
267.12332	1.2
271.04672	3.2
275.02133	0.9
295.11743	1.1
297.12015	2.3
300.99927	1.5
301.03156	2.2
302.03824	1.1
313.05740	1.8
323.09863	2.2
325.12949	5.4
329.05054	1.1
341.11078	1.2
368.17984	1.7
385.10324	0.9
385.14923	4.3
427.16119	1.4
448.09552	5.2
469.55316	1.4
483.18771	100.0
484.19208	9.7
487.18094	1.5
546.23297	8.2
547.02222	1.8
547.24475	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	546.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13371	1.0
50.17551	1.1
59.01181	0.8
59.01388	8.2
61.98831	16.0
64.20023	1.0
69.40114	4.3
69.40540	3.6
71.01393	5.2
71.29057	0.9
73.02939	1.0
75.00875	1.6
85.02937	1.3
89.02451	3.6
92.12302	0.9
95.01393	1.6
96.96021	19.2
98.19907	1.9
99.49358	0.8
101.02464	3.2
107.01412	2.6
111.00906	2.3
113.02478	2.0
117.05627	6.4
119.03487	1.5
123.00916	10.2
125.02457	11.8
126.65363	1.1
135.04544	1.8
139.00375	3.6
140.01193	2.6
140.70183	0.9
141.01953	2.0
145.02963	1.4
151.00369	8.9
151.06148	2.0
168.00629	3.9
169.01434	18.2
197.52670	1.0
211.02475	1.6
271.04520	2.6
285.03967	2.7
313.05560	1.3
313.11359	1.6
314.11646	1.4
382.20340	1.1
435.13351	2.5
483.18753	100.0
484.19019	10.2
513.67883	1.0
546.26709	1.6
547.14899	5.7
568.81537	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	546.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
61.98838	9.1
69.50938	6.8
71.01397	4.0
80.96529	1.5
81.62004	1.2
88.98811	1.8
95.01394	2.8
96.95980	2.7
101.02465	1.2
107.01400	6.6
111.00876	3.9
113.02456	1.8
123.00904	10.3
124.01706	2.8
125.02456	23.0
127.00410	2.8
137.02460	1.4
138.13725	1.0
139.00368	16.3
139.04034	2.8
140.01144	9.1
141.01921	2.8
151.00356	5.8
151.03998	1.5
153.01906	2.6
154.02724	9.6
155.03500	3.9
161.02425	1.6
165.01974	2.2
167.03516	1.4
168.00653	6.2
169.01425	26.4
169.04997	4.5
183.03009	7.7
249.04022	2.9
275.02051	2.5
297.06387	1.6
300.99878	6.3
313.05649	6.4
327.07260	3.3
410.22742	1.4
483.11429	100.0
484.11649	7.8
546.19141	3.3
547.16748	2.2
559.02679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03455	1.4
58.00599	1.3
59.01093	1.2
59.01383	16.7
61.98843	6.5
69.03452	1.4
69.43510	0.7
71.00999	0.8
71.01389	11.2
71.60361	0.7
72.99363	0.9
73.02963	3.1
83.01398	1.8
83.05057	1.0
85.02951	3.0
87.00881	1.8
89.02447	13.9
95.01388	1.3
96.96032	2.3
97.06586	1.1
101.02455	13.2
111.08172	18.7
112.08512	0.7
113.02464	6.4
119.03510	3.9
127.07626	1.3
131.03526	0.7
143.03551	1.1
149.04588	1.0
149.25203	0.6
151.11305	0.6
153.09276	0.7
153.12869	1.5
154.45242	0.6
161.04579	7.0
163.11334	0.6
165.12953	0.6
169.12370	7.1
179.05582	1.6
181.12343	2.1
183.13869	0.9
197.11848	80.4
198.12198	2.5
199.13435	6.1
211.13429	8.6
227.12851	1.4
247.20781	1.3
253.09306	48.3
254.09705	1.5
263.20163	6.0
265.18076	2.6
273.18744	1.4
291.19672	28.2
292.19983	2.9
309.20743	100.0
310.21030	6.9
400.61594	0.6
425.83768	0.8
545.27863	2.6
545.34393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3486
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.01618	0.3
58.68637	0.2
59.01384	100.0
60.01720	0.6
61.98831	0.3
69.43627	1.9
73.02959	0.5
82.23129	0.3
96.96038	1.0
105.73137	0.3
118.49220	0.2
125.02455	0.8
151.51498	0.2
269.51083	0.3
309.20657	0.3
407.29745	0.6
418.30548	0.3
485.32727	9.6
486.33185	0.8
545.27832	1.0
545.35162	1.8
546.35626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
58.00601	0.9
59.01382	20.2
61.98833	9.1
69.03472	1.8
70.39068	0.7
71.01391	13.6
71.05019	1.0
72.99304	1.0
73.02959	3.1
80.44396	0.8
82.10807	0.7
83.01392	2.0
83.05008	1.1
83.92200	0.6
84.02213	0.8
85.02968	4.1
87.00890	2.4
88.82602	0.8
89.02451	12.6
93.07089	0.8
95.01396	1.0
96.96009	5.5
97.02972	1.3
97.06563	0.8
99.00886	0.8
99.04518	1.1
101.02450	14.7
109.06524	1.1
109.65060	0.7
111.08163	21.7
112.08557	0.7
113.02442	5.6
119.03532	4.1
123.04530	1.1
125.02438	1.5
127.07607	1.5
131.03522	1.9
143.03522	0.7
153.05470	0.7
153.12872	1.6
155.10799	0.8
161.04558	6.8
169.12379	7.6
179.05643	1.9
181.12454	1.2
183.13925	0.9
197.11841	100.0
198.12236	3.8
199.13432	5.6
201.20580	0.6
211.13428	8.8
227.12907	1.6
247.20865	1.2
253.09296	49.5
254.09680	1.6
263.20151	5.2
265.18097	3.4
269.17551	1.4
273.18674	1.4
278.75632	0.7
291.19678	26.2
292.20181	1.7
309.20731	95.1
310.21008	6.3
327.21939	1.5
482.24435	1.1
495.75781	0.7
512.07092	0.8
545.28076	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	545.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70125	0.7
57.03466	1.1
59.01382	17.6
61.98825	3.3
69.38024	4.1
69.38448	2.5
71.01379	5.0
71.05029	13.6
73.02953	2.4
83.01395	1.3
85.02953	2.3
87.00880	1.0
87.04515	2.4
89.02418	3.5
95.01411	1.3
96.96021	2.4
98.20625	1.4
99.04530	2.3
101.02462	3.6
107.01441	1.4
111.00895	1.3
113.02482	1.3
117.05585	100.0
118.05944	1.4
119.03500	1.1
120.99641	1.0
123.00880	5.9
125.02446	8.1
133.05093	1.0
136.98816	1.0
138.01985	0.8
139.00374	2.2
140.01154	1.8
149.64886	0.7
151.00401	2.4
151.07661	1.1
153.09229	1.5
161.02377	0.7
161.04497	1.1
168.00677	1.5
169.01433	8.4
179.10895	0.9
205.12332	1.7
211.02446	0.8
223.13503	1.5
295.10397	2.7
323.18527	1.0
483.18689	17.9
501.34720	1.4
545.13428	1.4
545.26611	22.3
546.26611	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2913
Annotation	Cowagarcinone A
Peak:m/z	Relative Intensity
71.96705	0.6
79.01901	1.1
80.75593	0.7
88.63741	0.7
89.58668	0.7
98.20741	1.1
107.05045	0.9
108.02177	0.8
109.02962	1.5
109.06632	0.8
117.37657	0.6
123.04549	1.1
124.01638	1.1
134.03725	2.7
135.04510	2.0
137.02393	2.9
138.53851	0.6
149.06119	2.2
150.03220	1.3
151.04044	3.6
152.04851	3.4
153.05571	4.2
160.84222	1.4
162.83945	1.1
163.04118	0.8
165.01918	2.8
165.05591	0.7
177.01906	0.8
178.02686	1.1
179.03525	10.3
179.07135	0.8
180.04324	16.8
184.03708	1.2
184.05353	0.6
185.08667	0.7
191.03453	2.2
192.04373	0.8
193.05077	4.1
194.05896	6.8
195.06619	0.8
205.05052	2.5
207.06641	10.1
208.07298	1.8
212.03322	2.3
221.08215	2.7
226.04922	0.7
235.09810	2.9
236.10512	1.4
249.11275	2.9
261.11218	1.6
285.84979	0.8
289.14420	1.8
301.14536	1.2
323.70248	0.7
327.16119	2.3
367.19263	1.7
381.20660	2.8
382.21536	5.1
383.22302	7.2
384.22733	0.8
395.22308	5.0
409.23926	4.1
545.29120	100.0
546.29498	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	545.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01382	20.2
61.98826	0.9
69.59321	1.9
71.01383	3.0
71.05025	14.3
73.02954	1.1
75.00892	0.4
76.41309	0.2
81.06276	0.3
83.01394	0.4
85.02947	1.6
89.02438	1.4
91.35767	0.3
95.01390	0.5
96.96009	0.8
97.02966	0.7
99.00899	0.3
99.04511	0.7
101.02435	1.6
107.01383	0.6
111.00877	0.5
113.02451	1.7
117.05582	100.0
118.05927	2.1
119.03535	0.4
123.00904	1.7
123.08145	0.4
124.01656	0.4
125.02444	3.3
138.06921	0.5
139.00339	0.5
139.07646	0.3
141.01981	0.4
145.02934	0.6
151.00403	1.7
151.07666	0.9
152.08409	1.2
153.09216	4.0
157.27592	0.3
161.04558	0.6
161.09767	0.3
163.04053	0.4
168.00621	0.4
169.01442	3.2
179.10712	0.3
203.10941	0.3
205.12312	1.8
212.20889	0.2
223.13358	1.2
223.49164	0.3
237.07703	0.3
279.03488	0.3
313.05963	0.3
315.01611	0.3
342.78064	0.3
345.06058	0.4
367.17661	2.5
385.18701	1.0
393.21313	0.5
427.19736	2.1
483.18726	6.3
485.23898	0.4
501.34070	0.3
545.26996	4.8
546.25623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.97011	1.1
59.01384	17.1
61.98837	12.6
62.69467	1.1
69.27174	10.9
69.37035	1.1
71.01385	12.7
72.99323	6.1
73.02942	2.7
75.00880	1.1
81.09755	1.1
85.02957	3.7
86.58484	1.1
87.00887	3.3
89.02457	7.4
93.03510	1.8
96.96028	3.3
101.02456	5.1
113.02481	3.6
117.03490	2.5
118.88951	1.2
119.03535	2.3
120.99716	1.0
121.06645	1.7
123.00915	2.0
123.04546	2.8
125.02457	3.6
132.02182	22.1
133.02942	4.5
134.03755	33.5
135.04572	8.0
137.02437	4.2
137.09752	5.2
139.79771	1.1
145.02959	2.0
147.04520	2.8
149.04813	1.0
149.06056	7.9
151.04024	1.4
152.34425	1.3
153.05614	2.8
160.01674	100.0
161.02097	3.9
163.11363	1.1
163.44376	1.2
169.01414	3.2
173.05908	1.2
175.04016	88.5
176.03357	9.0
176.04965	6.3
177.01933	3.0
177.03860	4.9
178.02672	3.0
179.03535	2.4
191.07108	12.5
193.05064	51.0
205.31573	1.2
207.06700	4.0
217.05122	3.4
220.03766	1.4
235.06143	58.9
235.52905	1.2
236.06459	3.4
251.16483	2.4
265.07159	37.9
266.07462	1.8
295.08234	58.7
296.08517	3.3
315.01401	1.4
337.09229	1.4
355.10306	10.0
412.08154	1.4
457.34943	1.5
507.35187	1.6
545.14691	1.9
545.24371	18.3
545.32922	12.4
546.24628	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	544.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.98837	44.8
71.01392	3.8
71.05018	1.4
71.61479	0.6
72.99317	1.3
73.02948	1.2
78.95906	0.6
83.01403	0.9
83.05041	1.1
83.90315	0.5
85.02954	2.0
87.00888	7.0
88.01251	0.7
89.02464	1.9
92.05054	4.9
96.96028	1.3
97.03012	1.0
101.02457	2.5
101.06120	1.3
102.03543	0.9
107.01395	0.7
111.08154	0.8
113.02451	1.4
118.02983	1.0
120.04566	2.6
124.01673	1.2
125.02409	2.9
139.04024	10.1
144.04541	0.7
146.02464	5.5
147.03316	1.1
148.04059	4.0
158.06120	0.7
160.04060	0.8
161.04543	0.9
161.09726	1.0
169.01463	1.8
171.10260	0.6
174.01959	2.3
174.05641	0.8
175.01216	1.1
175.02762	32.6
176.03545	100.0
177.03859	3.8
179.10805	2.1
188.03581	1.0
189.04158	0.6
197.11824	2.9
223.09868	0.7
241.68530	0.6
249.14893	0.7
253.09262	1.8
291.19739	1.7
291.92899	0.6
309.20871	4.7
311.70169	0.6
313.05429	0.6
320.07761	2.0
338.08835	30.5
339.09146	1.6
455.33780	1.2
456.34848	3.3
464.52823	0.6
481.24478	15.9
482.24911	1.5
500.19287	12.3
500.32819	0.8
501.19601	1.3
526.17084	0.8
526.27527	0.8
543.32452	2.0
544.18298	15.3
544.32941	8.8
545.19342	1.7
545.33740	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	545.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03453	3.4
57.69394	0.6
58.00595	0.9
59.01386	23.2
61.98833	13.2
65.00316	0.7
67.01878	1.2
69.03438	1.2
69.30484	4.1
69.30900	1.5
71.01006	0.8
71.01392	13.7
71.05004	2.8
72.99312	3.0
73.02956	10.8
75.00855	1.0
83.01358	2.0
83.05019	0.8
85.02949	5.7
87.00848	1.9
87.04484	1.9
89.02446	6.0
93.03420	0.6
95.01373	2.2
96.96033	3.8
97.02917	1.1
97.06571	1.2
99.00875	1.6
99.04494	1.8
101.01880	0.6
101.02452	8.1
101.05542	0.7
101.06094	8.0
103.04028	4.3
107.01393	3.6
109.02941	1.5
109.06567	1.0
111.00838	2.2
113.01786	0.7
113.02452	7.2
115.07692	3.2
117.03574	0.6
117.05502	0.8
119.03474	1.5
119.05009	0.8
121.02911	0.7
122.03710	1.5
123.00899	12.6
123.04486	1.0
123.08113	2.2
125.02465	14.7
125.06077	0.8
125.09735	11.0
126.02671	0.6
127.03981	0.8
131.02614	0.8
131.03526	8.5
133.05035	0.8
133.06531	1.0
135.08148	1.0
136.05243	2.1
136.98788	0.8
137.02393	0.9
139.00392	3.8
139.04015	1.4
140.01105	2.6
141.01910	1.5
141.09125	0.8
143.03484	0.7
145.02940	1.4
150.99370	0.8
151.00386	9.9
151.07651	9.4
153.01952	3.0
157.01378	0.6
161.02405	0.9
161.04578	3.3
163.03983	0.9
163.11276	0.8
168.00650	2.9
169.01447	20.2
176.03415	0.6
189.12811	1.1
191.10657	0.8
207.13985	5.9
209.11899	4.9
211.02422	1.1
233.11577	1.4
251.12785	2.1
251.16521	1.2
258.01682	0.8
269.13815	1.2
271.02197	0.8
271.04742	0.9
286.01190	0.7
293.08832	4.4
299.98981	0.7
300.02701	2.0
300.99631	0.8
301.03510	0.7
313.05576	1.6
314.00482	1.4
331.24890	4.9
401.28781	2.4
412.07700	2.1
413.08463	1.2
416.05795	0.6
427.30399	1.1
441.17548	0.9
444.06781	0.7
457.30664	6.3
458.32178	1.1
459.18835	3.3
464.92783	0.6
483.18472	1.8
483.33347	13.3
484.33511	1.2
485.19748	1.0
501.34390	16.7
502.34311	1.3
507.22501	4.7
508.22375	0.7
527.20819	1.7
545.13239	4.8
545.22083	100.0
546.22357	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	544.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40833	0.3
58.47109	0.3
58.70250	0.3
59.01386	1.7
61.98833	16.8
69.52564	2.3
71.01384	0.8
71.05014	0.6
73.02952	0.7
74.52316	0.3
75.00894	0.4
81.32170	0.3
85.02955	0.6
85.06600	0.3
87.00886	8.2
87.04543	0.7
88.01234	0.6
89.02441	0.6
92.05058	3.7
95.05038	0.6
96.96019	2.1
97.06553	0.4
98.19901	0.7
101.02459	0.6
101.06074	0.8
102.03537	1.6
113.06136	0.6
115.07673	0.4
118.03016	1.0
120.04571	3.1
123.08164	0.5
125.02500	1.8
132.04561	0.4
133.30115	0.3
135.11835	0.5
139.04037	1.9
144.04543	0.7
145.02960	0.3
146.02496	4.9
147.03267	1.1
148.04045	3.8
149.04475	0.5
153.05609	0.4
158.02513	0.4
158.06151	0.6
160.04062	0.5
169.01459	0.8
174.02036	2.1
174.05603	0.8
175.02751	38.0
176.03532	100.0
177.03897	3.4
179.10713	1.5
186.05684	0.9
188.03603	1.5
202.05148	0.4
207.05103	0.3
218.04567	0.4
223.09683	0.5
302.32977	0.3
320.07632	1.5
338.08823	54.7
339.09140	3.3
455.34158	1.6
456.34595	3.4
457.34595	0.6
481.17371	0.7
481.24323	4.9
499.32996	0.7
500.19278	11.1
500.32019	1.6
501.19583	1.3
541.22662	0.3
543.31799	1.3
544.18311	11.7
544.31891	5.3
545.18683	1.3
545.32330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.4
61.98839	23.2
65.27556	2.5
71.01398	9.1
71.05032	5.1
71.67022	2.9
72.55821	2.5
72.99313	3.4
73.02973	5.1
76.73713	2.6
76.90559	2.6
85.02951	3.4
85.06601	3.6
87.00883	100.0
87.04526	4.3
89.02463	8.1
96.96024	7.1
98.20735	4.8
101.02464	6.3
101.06112	7.1
113.06099	6.0
115.07734	3.0
123.08144	4.2
125.02428	14.6
125.06142	4.3
125.09676	2.7
131.07106	3.5
135.08221	2.6
138.42915	3.0
165.12801	3.2
167.07072	3.4
169.01237	3.6
209.15518	2.9
245.17609	8.5
249.15016	4.1
270.55240	3.0
405.90347	3.2
455.34048	43.7
481.31351	5.9
499.32858	19.3
507.35480	8.1
543.25201	7.0
543.32367	88.0
544.32361	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	543.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.8
59.01384	47.6
61.98837	100.0
69.03480	4.9
71.01393	28.3
71.05045	5.7
71.37775	7.9
72.99316	7.8
73.02940	11.1
80.91685	52.3
83.01387	6.6
85.02951	11.1
87.00894	80.0
87.04526	11.4
89.02445	21.8
96.96017	9.3
99.00894	4.4
99.04516	6.1
101.02454	14.8
113.02457	10.2
117.48640	3.7
123.00886	8.4
123.04585	4.8
123.08178	6.7
125.02455	21.1
125.09669	4.5
131.03606	4.3
135.04500	3.8
139.04028	11.8
151.00371	5.1
153.05542	4.6
161.04515	7.1
167.07130	5.5
168.00697	4.9
169.01410	13.0
176.03529	47.8
179.05562	5.2
179.10855	4.7
249.14925	4.9
251.12927	3.9
271.04581	9.8
281.33829	3.5
309.08386	4.2
334.74634	3.8
455.34277	36.1
456.33786	4.3
481.31287	4.5
483.22345	12.5
499.32590	31.7
500.40372	4.2
507.71075	4.4
543.23846	35.8
543.32416	77.1
544.32977	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	543.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01274	5.3
55.01562	3.8
59.01382	35.3
61.71795	4.3
61.98833	100.0
63.37469	3.7
69.45423	7.6
69.45829	25.8
71.01387	12.0
71.05017	5.7
71.19186	4.3
72.99310	4.7
73.02977	5.1
77.34418	4.1
83.05036	5.7
85.02926	4.7
85.06607	4.9
87.00871	43.7
89.02473	7.6
96.95998	6.8
97.06570	4.3
101.02447	14.2
101.06120	5.8
101.48423	4.0
109.02917	6.5
113.02495	4.9
113.06155	6.2
113.31740	4.6
123.08118	5.5
125.02434	16.7
139.04005	15.4
141.09198	5.0
151.00369	7.0
152.04842	12.5
159.99939	5.0
164.58284	4.4
165.05608	7.6
169.01431	16.4
173.11909	4.4
175.02742	18.5
176.03522	64.6
179.10753	10.1
197.11792	33.0
201.11310	11.6
209.11847	19.4
241.10912	7.3
244.08354	4.2
267.15665	4.8
308.20819	4.3
313.05716	5.5
315.14395	4.9
338.08817	20.0
369.31088	4.5
381.26038	12.7
455.34070	31.5
481.24573	11.5
499.25470	11.3
499.32687	13.3
500.19327	9.5
507.35275	7.0
525.26984	30.3
543.33215	86.1
544.18250	9.0
544.33105	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	543.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77330	7.1
59.01377	51.2
61.98830	69.8
69.53872	22.0
69.54298	28.4
71.01379	19.8
79.92870	5.9
85.02950	9.5
87.00885	41.8
89.02448	8.9
96.96023	28.5
97.10918	7.3
123.08230	10.3
125.02463	21.0
135.04552	14.4
139.00388	7.8
139.04021	9.3
169.01257	8.2
176.03494	13.9
196.60913	6.5
201.12808	7.5
244.97195	7.5
249.14748	8.9
291.12344	9.2
389.93729	6.9
455.33582	27.3
481.23920	20.4
499.32724	19.5
507.35571	12.8
543.25214	15.4
543.32867	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	543.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.4
59.01385	29.3
61.98835	52.5
68.59030	2.4
68.96314	2.6
69.98868	6.2
69.99251	6.9
71.01390	9.8
71.05006	3.4
72.99288	3.2
73.02954	6.0
85.02965	6.1
87.00879	50.0
89.02466	4.5
92.37492	2.8
96.90018	3.0
96.96026	8.9
97.04097	2.6
101.02446	9.5
101.06099	4.5
103.62837	2.6
106.58269	2.9
109.06622	3.3
123.08147	3.1
125.02468	10.0
125.06060	3.0
125.09734	5.9
130.65903	2.6
131.07184	5.0
135.04536	100.0
141.09274	4.0
145.02997	3.9
151.04007	3.6
153.09157	2.9
169.01411	8.8
175.02728	3.4
176.03542	42.3
187.13290	3.2
356.65582	2.7
407.10034	4.8
455.34082	36.8
499.32724	19.4
507.35635	6.4
543.15643	25.2
543.24377	19.4
543.32581	74.6
544.15686	4.4
544.32690	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	543.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01274	5.3
55.01562	3.8
59.01382	35.3
61.71795	4.3
61.98833	100.0
63.37469	3.7
69.45423	7.6
69.45829	25.8
71.01387	12.0
71.05017	5.7
71.19186	4.3
72.99310	4.7
73.02977	5.1
77.34418	4.1
83.05036	5.7
85.02926	4.7
85.06607	4.9
87.00871	43.7
89.02473	7.6
96.95998	6.8
97.06570	4.3
101.02447	14.2
101.06120	5.8
101.48423	4.0
109.02917	6.5
113.02495	4.9
113.06155	6.2
113.31740	4.6
123.08118	5.5
125.02434	16.7
139.04005	15.4
141.09198	5.0
151.00369	7.0
152.04842	12.5
159.99939	5.0
164.58284	4.4
165.05608	7.6
169.01431	16.4
173.11909	4.4
175.02742	18.5
176.03522	64.6
179.10753	10.1
197.11792	33.0
201.11310	11.6
209.11847	19.4
241.10912	7.3
244.08354	4.2
267.15665	4.8
308.20819	4.3
313.05716	5.5
315.14395	4.9
338.08817	20.0
369.31088	4.5
381.26038	12.7
455.34070	31.5
481.24573	11.5
499.25470	11.3
499.32687	13.3
500.19327	9.5
507.35275	7.0
525.26984	30.3
543.33215	86.1
544.18250	9.0
544.33105	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	543.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53917	2.3
59.01391	20.3
61.98840	86.4
63.99268	2.6
67.12732	1.9
71.01402	10.7
71.05028	2.5
71.60968	3.3
72.99300	2.7
73.02967	4.8
74.94836	1.7
85.02960	4.2
87.00880	27.9
89.02448	8.0
92.05081	5.4
96.96024	8.6
99.00908	2.3
101.02457	6.1
109.03028	2.5
113.02422	2.6
120.04588	3.6
121.02994	4.5
123.00880	4.2
125.02487	14.6
125.06125	3.0
125.09740	4.4
127.03986	2.9
135.04544	62.4
136.04863	2.7
137.02431	3.2
139.04082	2.1
148.04109	2.8
151.00433	2.5
161.15465	2.2
169.01431	9.6
171.10294	3.0
175.02731	5.9
176.03548	100.0
179.10768	3.4
211.02533	2.4
271.04614	8.9
313.06067	2.4
407.09842	3.6
419.51151	2.4
455.34479	11.3
481.31863	4.2
499.32834	13.6
505.34442	2.3
532.39410	2.3
543.15918	25.2
543.24396	15.0
543.32391	34.9
544.33154	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75765	0.4
55.31557	0.6
57.03455	1.2
58.00601	0.7
59.01383	7.0
61.98833	14.8
67.01877	0.6
69.03457	0.7
69.29581	3.3
69.29983	1.0
70.86572	0.5
71.01396	2.8
71.05018	1.8
72.02155	0.7
72.99313	0.8
73.02943	1.2
75.82115	0.4
79.30948	0.6
79.95744	5.0
81.03434	0.5
83.05029	1.0
85.02958	1.1
85.06597	1.0
87.00881	34.1
87.04510	1.7
88.01224	0.5
89.02451	1.9
89.92092	0.4
95.05026	0.6
96.96017	100.0
97.06590	1.3
99.00880	0.6
99.04507	1.1
101.02450	1.5
101.05113	0.5
101.06090	3.7
113.02458	0.9
113.06080	1.9
115.07663	1.4
121.06635	0.5
123.08189	3.2
125.02457	5.3
125.06097	1.5
125.09712	1.0
132.28563	0.5
139.04030	2.5
141.09232	3.3
149.04593	0.6
151.11256	0.7
152.04781	1.7
153.05540	0.9
165.05620	0.5
167.07120	3.4
169.01485	0.6
175.02704	1.1
176.03529	3.9
179.10915	0.5
181.31371	0.5
197.11874	1.7
209.11769	1.5
212.18292	0.5
217.14458	0.9
224.92419	0.5
249.15036	0.6
282.95224	0.5
295.19180	0.5
300.99689	0.7
301.86722	0.6
335.25882	0.7
411.30591	0.8
437.32706	1.0
455.34250	19.8
456.34015	1.4
480.26901	0.6
481.24402	4.5
481.31631	2.1
499.25504	1.0
499.32755	13.9
500.19254	0.5
500.33264	1.4
525.27014	1.8
543.19031	38.4
543.31952	13.0
544.19519	5.4
544.31812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01453	0.3
54.73203	0.3
55.01884	0.6
55.63450	0.3
56.07584	0.4
56.26049	0.3
57.03466	0.3
59.01379	4.2
61.98830	0.6
63.92514	0.4
67.01897	1.1
69.03461	0.8
69.55633	2.3
70.84286	0.4
71.01382	3.0
72.79168	0.4
72.99335	0.6
73.02943	0.8
78.95909	0.9
79.01901	1.2
80.96524	0.5
82.18127	0.4
83.01404	1.2
85.02964	1.6
86.03225	0.4
86.18020	0.5
86.49765	0.5
87.00861	0.7
88.06125	0.3
89.02444	1.1
95.01400	1.7
96.96019	1.1
97.02978	0.6
98.20759	0.6
98.95609	0.7
99.00885	0.9
101.02463	2.2
104.82571	0.4
107.01402	3.6
110.00094	0.6
111.00883	2.7
113.02472	1.0
115.00420	0.4
119.03457	0.4
123.00896	16.8
124.01672	1.1
125.02457	16.7
125.03414	0.5
126.02848	0.6
127.00387	1.0
136.98822	1.8
137.02495	0.5
139.00362	5.3
140.01169	4.0
141.01968	2.5
151.00375	11.9
151.01556	0.7
151.03947	0.4
152.00768	0.6
153.01973	1.0
163.04005	0.5
168.00647	3.8
169.01433	20.8
170.01793	1.0
190.83141	0.3
211.02475	2.3
229.18039	0.5
271.04584	3.8
300.99750	2.0
302.00391	0.6
313.05722	1.2
318.03366	0.6
331.06854	0.7
391.19836	0.7
413.98700	0.4
466.53177	1.3
467.02942	0.7
467.54065	0.4
469.25812	0.5
499.21790	0.7
520.14117	0.4
525.20361	0.7
543.24585	100.0
544.24982	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	543.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.1
57.03455	6.7
59.01385	42.8
61.98837	80.0
66.69398	1.6
67.01877	1.7
68.21215	1.3
69.03445	2.4
69.29979	3.5
69.30390	11.9
71.01393	34.5
72.99316	3.3
73.02954	22.7
75.07777	1.5
79.65500	1.4
79.95732	1.4
80.91661	2.4
81.03468	2.6
83.01387	4.4
83.05051	2.9
85.02958	11.3
87.00883	12.5
87.04495	2.0
88.98785	1.8
89.02460	11.5
95.01420	3.5
96.96024	5.3
97.02982	2.8
97.06599	3.1
98.20581	2.9
99.00937	3.3
99.04539	2.3
101.02451	20.4
103.04050	5.4
107.01396	7.1
107.05060	6.1
109.02966	2.7
111.00903	4.6
113.02454	12.0
113.06106	3.4
119.03542	4.7
120.05786	2.5
123.00905	22.7
123.04519	2.9
124.01692	2.3
125.02459	32.7
125.09702	4.7
127.00476	2.6
131.03510	19.8
134.34853	1.7
135.04520	5.1
136.05341	2.0
136.98875	3.4
137.02502	2.4
137.06068	1.6
139.00421	8.0
139.04060	2.1
140.01170	5.8
141.01964	3.4
145.02971	4.1
146.07378	1.3
149.05981	2.1
151.00398	16.9
151.07661	4.3
153.02061	1.9
161.04582	4.8
161.09738	12.2
161.13388	8.3
163.11247	3.4
167.03546	2.5
168.00668	7.0
169.01443	34.0
170.01755	2.8
179.03482	2.4
187.11276	22.3
189.09171	9.2
205.12347	13.2
207.10274	6.7
211.02548	3.6
229.12312	3.8
247.13420	2.5
249.11302	14.0
267.12369	6.0
271.04681	6.0
293.08826	10.4
310.67664	1.6
311.09778	4.5
313.05679	2.3
351.14398	3.5
381.19067	1.9
381.26410	2.0
455.29062	2.0
455.34521	3.6
481.31781	3.5
483.29935	1.8
484.21933	1.5
499.21991	5.2
499.32431	9.7
505.06866	1.7
507.15253	9.4
508.15216	2.2
521.54309	2.0
543.23657	100.0
544.25867	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
57.29861	0.3
59.01381	3.0
61.98834	9.1
64.28137	0.3
71.01393	1.7
71.05000	0.6
72.99300	0.4
73.02960	0.4
79.95740	4.2
80.24461	0.3
83.05044	0.4
85.06582	0.3
87.00870	2.2
88.98788	0.3
89.02438	1.0
95.05032	0.3
95.95237	2.6
96.96017	100.0
97.06608	0.4
98.20633	0.9
99.00919	0.4
101.02433	0.9
101.06085	0.6
113.02443	0.7
113.06060	0.4
115.07687	0.4
123.08183	0.9
125.02498	0.9
125.09698	0.3
139.04015	1.4
141.09241	1.2
151.04018	0.4
152.04800	5.4
153.05569	0.8
154.05841	0.3
161.04556	0.4
165.05560	1.4
169.01376	0.5
173.37415	0.3
175.02759	1.2
176.03534	4.0
179.10774	0.4
193.28983	0.4
197.11894	1.6
201.11304	0.7
209.11940	0.7
241.11081	0.3
263.16223	0.3
273.08011	1.4
291.09073	0.4
293.08875	0.4
306.30423	0.3
338.08633	0.5
349.05933	0.7
380.25699	1.2
381.26575	2.4
455.33899	2.5
462.35342	0.3
480.26813	1.0
481.24448	2.2
499.32507	0.7
500.19189	0.6
505.33478	0.6
507.35297	0.9
525.26959	1.4
543.19061	44.0
543.31848	6.3
544.19220	5.6
544.32037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56112	0.2
59.01381	1.5
61.98830	0.8
64.31101	0.2
69.26659	1.1
69.27073	0.7
71.01382	0.4
83.01413	0.3
85.02936	0.2
89.02444	0.4
93.03481	0.3
96.96010	1.0
99.10697	0.2
101.02452	0.4
107.01472	0.2
109.02882	0.2
111.00900	0.2
111.04512	0.4
112.09033	0.2
115.29391	0.2
123.00905	0.4
125.02461	1.0
128.49585	0.2
129.03545	0.2
133.40758	0.2
140.68028	0.2
145.02957	0.9
147.04556	0.2
157.02946	0.6
161.02478	0.3
163.04044	0.4
164.11655	0.2
168.00722	0.2
169.01450	1.0
173.02388	1.0
185.02417	1.9
189.01920	0.3
192.55803	0.2
201.01964	1.7
213.01991	0.2
217.01379	0.3
226.99828	0.4
228.00613	0.4
229.01451	3.2
230.01649	0.2
243.99992	0.3
245.00839	1.3
251.57146	0.2
254.99330	0.2
257.00912	1.3
271.04663	0.3
273.00421	0.3
275.01993	0.4
282.99152	0.2
283.99625	2.2
299.99130	3.3
300.99890	100.0
301.96860	0.4
302.00250	6.2
314.57645	0.2
387.16650	1.2
390.17560	0.2
391.02725	0.4
463.05225	4.0
464.05548	0.2
542.18732	0.7
543.00684	0.3
543.18915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
59.05644	1.0
60.99091	0.9
60.99312	10.6
61.94544	1.0
63.96224	1.2
65.00304	1.3
69.64106	1.1
71.01382	3.3
74.99140	1.2
88.98810	70.5
90.02730	1.3
95.01390	1.6
96.96010	1.7
98.58107	1.2
101.02444	1.7
107.01361	3.5
111.00907	1.1
113.77405	1.2
120.99674	1.2
123.00899	9.6
123.04600	1.3
124.01678	12.0
125.02460	23.1
127.99080	1.3
135.04486	3.4
135.98357	2.2
136.98981	2.7
137.02489	1.2
139.00365	3.6
139.03958	4.3
139.72766	1.0
140.01125	2.8
141.01952	1.2
151.00363	4.6
165.01968	1.5
165.05580	1.4
168.00641	4.9
169.01430	33.7
183.02972	4.2
191.03429	1.3
193.05014	2.0
195.06537	1.6
203.03444	1.2
206.90083	1.2
211.02464	2.0
229.40527	1.2
237.03923	1.6
249.03912	1.4
271.04388	2.3
275.01932	2.7
299.98929	1.6
300.99905	27.0
302.00250	4.5
303.00055	1.4
313.05630	8.9
327.07251	2.5
362.71353	1.4
453.10391	100.0
454.10577	6.8
543.07935	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	542.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98273	2.2
57.03447	2.4
61.98837	100.0
67.17596	2.0
69.61662	2.0
69.62009	15.1
70.72412	2.0
85.02951	3.7
85.06577	4.7
90.26389	2.0
91.73849	2.0
109.06590	3.0
125.02493	2.5
126.30505	2.0
135.00577	2.2
136.33704	2.2
139.04050	2.5
153.05589	71.8
170.59612	2.2
180.04329	4.6
207.06554	3.5
221.08226	2.2
264.06308	2.1
479.26593	92.0
480.26596	9.2
524.42371	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	542.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98835	100.0
70.08205	7.4
80.48034	2.2
85.02976	2.6
85.06594	5.6
109.06601	2.2
111.04544	2.3
125.02492	3.1
153.05591	61.2
154.06020	3.0
179.03482	3.0
180.04201	3.1
183.51871	1.9
184.16135	2.1
194.05817	2.9
238.22433	2.3
292.23795	2.0
307.19104	2.4
312.03531	2.0
411.47113	2.4
479.26538	79.8
480.26794	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	542.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45223	10.9
59.01389	28.1
60.67356	11.1
61.98826	36.9
63.99036	10.8
68.57295	12.4
69.46582	62.1
69.46988	24.2
71.01382	23.0
85.02943	13.2
88.98795	12.1
93.03452	16.6
95.01372	13.3
96.96017	72.4
101.02489	13.3
109.03017	16.9
111.23782	10.4
114.47080	11.2
123.00895	13.3
124.01220	10.9
125.02468	68.0
126.02795	12.3
137.02422	12.0
139.00381	14.7
150.03235	18.4
151.00371	25.6
155.64249	10.8
161.02406	12.4
165.05594	15.0
169.01447	78.6
173.91661	11.3
195.06561	13.9
206.30464	12.0
211.02376	14.4
243.03098	12.8
255.83617	12.4
271.02502	23.7
275.01932	17.8
287.01956	22.8
300.99823	68.6
316.02280	98.5
317.02850	19.1
479.08368	100.0
541.22321	32.2
542.20416	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01373	6.8
60.90118	1.1
61.98836	14.6
69.03464	1.5
71.01392	7.1
71.60992	1.8
72.99309	1.1
73.02934	2.7
79.01881	2.5
79.95741	2.5
81.03441	1.1
83.01395	2.0
83.76749	1.1
85.02943	3.7
87.00844	1.2
89.02438	4.0
95.01372	2.9
96.95999	3.2
97.02943	1.6
99.00864	1.3
101.02473	6.5
104.64794	1.0
107.01375	5.6
108.60348	1.1
109.78009	1.1
111.00875	3.5
113.02441	2.2
119.03500	1.3
123.00893	17.6
124.01491	1.2
125.02451	24.1
126.02779	1.5
131.60530	1.1
135.04630	1.2
136.98764	1.5
139.00394	7.0
140.01120	3.3
141.01926	3.2
145.02997	1.1
151.00375	13.7
163.03987	1.6
165.09279	5.1
168.00658	5.4
169.01443	27.2
170.01694	1.4
171.01932	1.1
229.01427	1.4
271.04797	2.2
300.99805	7.8
313.05804	1.8
317.03146	2.3
389.17831	2.4
390.18466	7.9
450.99564	1.5
452.08862	1.8
466.02728	3.9
466.52637	2.5
475.06430	1.1
479.15625	100.0
480.15991	10.0
525.19189	1.6
542.19592	26.2
543.20789	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	541.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.5
61.98835	100.0
71.01383	5.8
71.60854	2.4
73.02943	3.9
74.01694	1.6
85.02951	1.6
87.00869	9.9
87.65261	1.9
88.98802	4.7
89.02452	2.7
96.96010	2.6
99.04546	3.0
101.02463	3.8
108.51639	1.5
111.00885	2.4
123.00877	6.4
123.08195	1.7
125.02473	8.4
125.06084	1.6
125.09751	4.9
127.04092	2.0
135.04645	1.8
139.00328	1.7
140.01222	2.7
151.00369	5.5
151.07645	3.9
152.01105	2.4
154.98572	1.9
164.97655	1.7
169.01431	7.8
207.56059	1.7
260.54657	1.8
301.81186	2.1
309.11819	2.6
315.71228	1.9
326.46265	2.0
395.27908	5.8
453.32355	3.3
479.30307	10.7
497.11188	3.4
497.31473	13.5
505.34088	5.3
541.22913	40.2
541.31342	39.4
542.23273	5.4
542.31775	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	541.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24003	1.0
57.03465	1.7
57.05782	1.0
59.01389	7.6
61.98838	100.0
69.03474	0.9
69.39804	6.8
71.01396	4.1
71.05067	0.9
73.02973	2.2
83.01363	1.1
85.02967	2.2
87.00900	3.1
88.98852	1.1
89.02467	2.1
91.85327	1.0
93.03485	2.0
95.01417	2.1
96.96029	1.6
101.02467	3.1
107.01410	3.8
108.02177	1.9
111.00915	1.6
113.02489	1.9
121.02960	9.0
123.00901	7.1
123.04560	1.3
123.08196	1.1
125.02457	17.3
125.09758	1.6
137.02422	3.2
139.00406	2.3
139.04036	1.3
140.01195	1.7
151.00427	5.4
152.01149	1.8
152.04778	1.5
165.05553	2.1
169.01439	20.7
176.03497	1.8
177.05554	1.0
213.05560	1.5
257.04419	1.1
313.05750	5.5
378.23996	1.0
419.09567	5.0
453.32373	1.5
497.30844	2.2
505.33804	2.8
541.13440	20.8
541.22845	18.7
541.31195	11.9
542.14032	2.6
542.22968	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	541.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00596	0.5
59.01382	10.5
61.98825	0.9
69.03467	0.4
69.30422	0.6
69.30830	2.7
71.01386	7.4
71.05025	17.0
72.99315	0.7
73.02951	1.4
83.01393	1.1
85.02934	2.5
87.00873	0.7
89.02451	5.2
93.03463	0.6
94.37962	0.4
95.01403	0.9
96.96039	0.7
97.02961	0.7
99.00893	0.3
99.04527	1.4
101.02446	3.8
101.06073	0.3
107.05032	0.7
109.02962	2.5
109.06619	0.4
110.65418	0.4
111.04565	0.5
113.02478	3.0
117.05583	100.0
118.05914	1.5
119.03504	2.2
121.06611	0.4
123.00893	1.4
124.01643	0.4
124.05262	0.4
125.02474	2.4
125.09734	0.7
127.00443	0.4
131.07141	0.4
133.06609	5.4
134.19357	0.3
135.04506	0.9
135.08244	0.5
137.02441	0.7
137.06137	0.7
139.00336	0.4
139.04123	0.4
139.07672	2.8
140.01129	0.4
143.03506	0.4
146.57277	0.3
146.82343	0.3
149.04550	0.4
149.06082	0.9
151.00415	1.3
151.07660	0.9
159.06607	1.9
161.04611	1.0
168.00615	0.6
169.01430	3.1
179.03487	0.5
179.05634	0.6
184.58543	0.5
187.11278	0.6
199.11327	0.4
204.11475	0.7
205.12350	1.2
211.02553	0.9
217.12328	1.6
235.13577	0.5
264.01340	0.3
271.04556	0.7
313.05664	0.6
320.89651	0.4
331.13916	1.9
379.17453	0.6
397.18488	0.5
423.16562	2.6
424.17023	0.5
430.18439	6.8
497.24261	0.8
497.31409	0.6
527.12152	0.4
541.22937	38.9
542.23218	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	541.3016
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
51.13533	0.4
59.01386	32.6
61.98837	42.9
62.98544	0.5
69.52295	2.7
69.52716	0.5
71.01389	2.0
71.12572	0.4
71.82481	0.4
72.99319	0.7
83.01404	0.5
85.02976	0.7
87.00880	1.5
88.98802	1.5
89.02438	0.6
95.32072	0.5
96.95972	0.5
99.04513	0.4
101.02480	1.0
108.51624	0.4
111.04404	0.4
111.08173	0.5
113.02471	0.4
115.07674	1.0
119.03520	0.8
123.08156	0.8
125.02454	1.3
136.05360	0.6
141.09245	1.6
144.47949	0.5
153.05560	0.9
160.88445	0.4
169.01413	0.6
177.05528	0.5
242.60098	0.4
273.55579	0.5
311.22418	0.5
319.22794	100.0
320.23157	8.7
379.28537	1.5
453.32318	1.8
479.26620	1.7
481.27997	2.8
482.28070	0.6
519.56012	0.5
541.30676	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	541.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85859	0.4
57.03477	0.5
59.01381	4.7
61.98828	1.7
62.76532	0.4
67.01895	0.7
69.35702	2.4
69.36125	1.4
70.37397	0.4
71.01384	2.2
71.60136	0.4
72.99317	0.5
73.02958	0.8
79.01903	0.9
79.95744	0.7
83.01391	1.0
85.02959	1.1
86.14846	0.4
87.00902	0.8
89.02446	1.6
93.03432	1.0
95.01404	1.4
95.54056	0.4
96.96018	11.9
97.02974	0.6
101.02464	1.4
104.87313	0.5
105.13386	0.4
107.01398	2.5
109.05409	0.4
111.00893	1.5
111.04535	0.9
113.02489	1.1
117.05577	0.4
117.68655	0.5
121.02982	0.4
123.00893	10.4
124.01693	1.1
125.02454	13.1
126.02771	0.5
127.00421	0.6
136.98833	1.1
137.02460	1.6
139.00365	4.4
139.07671	1.0
140.01180	3.8
141.01944	1.4
151.00377	7.9
151.01555	0.6
151.07654	0.5
152.00705	0.5
153.01990	0.9
153.09196	0.5
154.82970	0.4
155.03485	0.7
165.05574	0.5
167.03482	0.4
168.00661	4.2
169.01437	21.6
170.01768	0.9
179.03584	0.8
195.06683	0.5
196.19418	0.4
209.04411	0.5
211.02477	6.3
212.03058	0.4
220.61201	0.4
239.05580	0.5
241.03667	0.6
244.26312	0.6
271.04642	8.4
272.04962	0.9
273.05206	0.7
279.12537	1.1
299.07874	0.5
313.05722	1.0
314.86700	0.5
404.76810	0.4
469.87393	0.4
511.21957	10.9
512.22107	0.9
519.52179	0.5
523.21490	0.5
541.22998	100.0
542.23352	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	541.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03443	1.1
58.00592	0.4
59.01383	6.5
61.98835	16.8
66.29359	0.4
67.01893	0.7
69.03481	0.7
70.74754	1.1
71.01385	4.6
71.05022	2.1
72.99298	0.5
73.02951	1.7
73.31324	0.4
74.07822	0.4
79.01881	0.7
81.03436	0.7
83.01389	1.7
83.05021	0.4
85.02969	2.2
85.03376	0.4
87.00874	1.8
88.98817	1.6
89.02460	1.9
95.01377	1.9
95.05042	1.1
96.96007	1.0
97.02962	5.1
97.06613	0.7
97.47608	0.3
99.00892	0.5
99.04507	0.6
101.02452	3.3
101.06092	0.4
107.01418	2.8
110.00105	0.4
111.00889	2.4
113.02464	1.9
113.06114	0.6
116.92821	0.7
119.03565	0.4
121.02892	0.4
123.00893	12.1
123.08167	0.5
124.01703	0.8
125.02455	13.9
125.06084	0.5
125.09724	1.9
127.00333	0.6
135.04559	0.9
135.08131	0.4
136.98799	1.5
137.02444	1.2
139.00388	4.6
139.04024	20.6
140.01164	2.8
140.04361	0.8
141.01921	1.6
147.06618	0.4
151.00388	8.6
151.04059	0.5
151.07642	1.1
153.01947	0.8
161.04579	0.6
163.04039	0.9
165.01942	8.5
165.12915	0.8
168.00682	3.6
169.01436	17.9
179.03571	0.5
183.02982	1.4
183.13945	1.3
187.11243	0.7
205.12404	0.7
211.02567	2.1
227.12863	1.5
271.04520	1.9
274.22723	0.4
300.99808	1.0
309.12048	0.7
313.05786	1.8
329.15939	0.6
389.18024	0.9
396.57022	0.4
408.78192	0.4
423.30579	0.4
451.23752	0.7
479.29877	1.3
481.33054	0.5
497.31296	1.8
541.22949	100.0
542.23285	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	541.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52479	0.4
55.01880	0.8
57.03452	0.8
59.01384	8.0
61.98830	12.0
66.34981	0.4
67.01885	1.0
68.62433	0.4
69.03458	1.0
71.01395	5.6
71.12920	0.4
72.99311	1.1
73.02953	1.7
78.95097	0.5
79.01878	0.9
83.01392	1.3
85.02958	2.1
87.00874	0.9
89.02450	2.9
92.83093	0.5
93.03439	0.5
95.01400	2.0
95.05003	0.4
95.46949	0.4
96.96014	1.9
97.02970	0.7
98.95602	0.6
99.00855	0.5
99.04551	1.1
101.02454	3.9
107.01397	2.6
109.02975	0.7
109.06600	0.7
111.00906	2.2
111.08165	0.9
113.02446	2.9
116.92859	0.8
119.03529	1.3
123.00896	11.0
123.04543	0.7
124.01707	0.4
125.02453	15.6
125.09757	2.6
126.02802	1.0
135.04597	0.6
136.98825	1.6
137.09888	0.4
139.00388	4.2
139.03976	0.7
140.01157	3.0
141.01935	1.7
145.98679	0.5
147.06641	0.7
151.00391	8.7
151.07643	2.0
151.11281	0.6
153.01939	0.9
153.09251	0.8
156.52597	0.4
161.02478	0.5
161.04622	1.0
161.09770	0.8
161.13406	0.5
167.03500	0.6
168.00638	4.3
169.01430	19.7
170.01724	0.7
179.10620	0.5
180.59340	0.4
195.14015	0.4
203.10760	1.1
205.12340	0.8
211.02484	6.0
221.11861	0.6
241.03647	0.5
271.04608	6.9
309.11801	2.3
313.05783	1.6
315.06039	0.7
319.19180	1.1
335.13446	3.0
336.49982	0.5
363.21756	0.8
393.81357	0.4
403.25162	0.6
421.25925	1.8
439.27203	0.7
479.29938	0.7
497.24326	1.5
497.31134	1.3
541.22974	100.0
542.23315	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	541.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03463	0.5
58.00587	0.4
59.01384	5.5
61.98832	2.8
62.68233	0.4
63.03216	0.4
67.01884	0.7
70.27934	1.8
71.01384	3.5
73.02957	0.8
77.29678	0.4
77.85653	0.4
78.95918	0.6
79.01902	0.6
79.62589	0.4
79.94557	0.4
79.95757	4.5
80.12354	0.4
83.01383	1.0
85.02953	1.7
85.09704	0.4
87.00884	0.5
87.04560	0.5
89.02438	1.8
93.03446	1.1
95.01391	2.1
95.95226	0.6
96.96017	100.0
98.19943	0.6
101.02443	1.9
101.86154	0.4
107.01395	3.5
110.00074	0.5
111.00851	2.2
111.04531	0.5
111.08167	0.6
113.02458	1.3
116.31676	0.5
116.35993	0.4
119.05032	2.1
123.00897	7.0
123.04500	0.7
124.01648	0.8
125.02461	15.8
126.02761	0.7
126.71289	0.5
127.00328	0.8
135.04549	1.5
136.98793	1.3
137.02481	1.3
139.00388	3.7
140.01210	2.4
141.01888	1.2
149.02449	0.6
150.03194	1.5
151.00357	4.1
151.03987	0.9
151.07625	0.5
152.00661	0.5
154.99875	0.7
161.02386	0.6
165.01918	0.9
165.05531	1.4
166.99873	1.2
167.03464	0.8
168.00652	5.4
168.99979	1.0
169.01428	20.0
170.01826	1.1
171.01843	0.7
179.03508	1.8
179.05115	0.4
183.10335	0.6
187.55260	0.5
211.02490	20.9
212.02782	1.3
213.03105	0.7
241.03613	0.7
271.04593	37.3
272.04950	3.1
273.05106	1.1
299.09213	4.0
300.99905	0.5
313.05716	0.5
317.03040	1.9
331.06708	8.5
362.14624	0.5
379.05038	2.8
389.17981	0.6
461.14197	1.0
497.20380	0.6
539.38074	0.5
540.21558	1.2
541.20868	54.5
542.21094	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	541.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64304	0.3
60.75597	0.3
61.98831	1.1
67.39433	0.3
69.69682	0.4
71.05034	0.5
71.61641	0.3
95.62842	0.3
99.92599	8.8
100.92644	0.4
116.92876	100.0
117.92886	4.8
125.02467	0.8
139.04024	1.5
153.05606	0.5
234.50345	0.3
265.78076	0.3
329.08054	0.4
390.03207	0.3
423.27502	0.7
488.78961	0.4
541.27765	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	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84614	1.9
57.03458	4.4
59.01381	18.8
60.99318	14.2
61.98833	22.6
71.01397	5.7
71.05031	3.6
72.99304	2.5
73.02938	2.7
75.96019	1.7
79.60742	1.9
81.03482	3.2
83.42336	1.9
85.02963	3.5
87.00885	76.6
87.04525	2.0
88.98816	100.0
89.02486	2.6
89.33765	1.7
91.43125	2.1
95.01378	1.9
97.02966	2.4
97.06592	3.2
98.19933	6.1
99.08154	1.9
101.02460	4.8
101.06108	4.0
105.52074	2.0
110.15888	1.7
113.06091	6.5
115.07690	2.8
118.95977	1.8
123.08141	4.1
124.98000	1.9
125.02454	35.0
125.06132	3.4
139.04045	3.2
141.09262	4.3
152.04797	4.0
161.04573	2.7
163.11163	2.3
164.70740	1.8
165.05598	7.2
167.07173	2.3
179.03435	2.4
181.12329	2.5
188.58159	2.1
207.13853	2.2
209.15401	2.5
243.15987	2.0
247.16896	2.1
248.00314	2.3
259.19144	2.7
282.13660	2.0
301.65152	2.3
305.34424	1.9
313.36627	2.3
319.22833	6.5
379.21072	3.7
379.25137	3.0
395.27689	2.3
451.23376	66.0
451.29736	4.0
452.23715	6.3
453.32697	36.1
481.27811	3.6
497.31229	24.9
505.34470	2.4
541.30823	34.6
542.30933	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	541.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
59.01384	43.1
60.01654	0.6
61.98819	1.2
67.01849	0.6
69.55190	3.7
71.01387	9.7
72.99284	0.6
73.02928	2.2
83.01347	1.9
85.01884	0.5
85.02956	3.3
87.00865	0.7
87.66499	0.6
88.98772	1.7
89.02454	4.0
95.01343	1.7
96.95984	1.4
97.02959	0.7
99.00847	1.9
101.02456	8.7
102.45874	0.5
107.01389	3.2
111.00833	1.5
113.02449	4.0
119.03455	1.6
123.00898	9.7
124.01675	0.8
125.02462	13.0
126.02807	0.9
127.00335	0.6
135.04518	5.2
136.98775	0.8
137.02495	0.7
138.01907	1.4
139.00391	4.1
140.01093	2.2
141.01910	1.1
146.63881	0.6
149.09718	0.6
150.99367	0.5
151.00378	6.9
153.01900	0.6
159.02979	0.9
161.02296	0.7
161.04497	1.5
168.00549	2.1
169.01436	16.1
170.01677	1.1
179.03563	5.1
187.13240	0.7
193.56284	0.5
196.81940	0.6
211.02377	1.7
212.02786	0.5
227.12828	0.8
271.04434	1.7
300.99689	0.9
313.05392	1.5
329.15585	0.7
371.16891	0.6
373.05942	0.6
389.18173	42.7
390.18695	2.7
435.78998	0.6
441.13571	0.8
451.12274	0.7
452.07843	1.7
481.11389	0.6
481.17154	7.3
482.17300	0.9
497.20212	1.2
523.18042	4.7
540.21747	1.2
541.19025	100.0
542.19476	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	541.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12689	0.6
51.94275	0.6
59.01381	2.4
63.47685	0.8
67.01897	1.0
69.03465	1.0
71.01378	5.3
71.60133	1.2
72.99303	0.8
73.02951	0.9
74.21067	0.7
79.01907	0.6
79.95692	0.8
81.03434	0.7
83.01395	1.4
85.02959	1.4
87.00874	1.0
89.02477	1.5
92.15388	0.6
95.01398	2.1
97.02922	1.2
100.33256	0.6
101.02473	0.9
107.01397	9.5
109.02972	1.3
111.00897	2.5
111.22493	0.7
113.02455	1.3
116.44700	0.6
117.05569	0.6
119.00501	0.6
123.00896	9.7
124.01673	2.0
125.02456	56.3
126.02774	1.2
127.00401	1.2
136.98839	2.0
137.02480	5.4
138.03233	0.8
138.99483	0.9
139.00380	4.7
139.04022	4.2
140.01164	3.1
141.01912	1.6
148.17410	0.6
149.02373	0.8
151.00403	7.4
151.03966	1.3
153.01852	0.9
154.05116	0.7
161.02451	1.9
163.04039	0.8
163.52170	0.7
165.01883	1.5
166.99875	1.2
167.03464	0.9
168.00616	4.5
169.01436	73.9
170.01736	2.5
177.01894	1.0
179.03506	11.4
180.04283	3.3
181.05029	1.0
183.03006	3.0
187.00417	0.9
189.01938	1.5
190.99660	0.8
191.03531	1.1
192.04265	1.0
193.01379	1.0
194.05829	9.2
195.06584	3.2
201.01935	1.3
203.03600	0.9
209.00839	1.0
209.08176	2.6
211.02527	2.2
213.07822	0.9
214.99985	0.9
217.01352	0.8
229.01396	2.2
230.02261	1.0
231.03056	1.0
241.03612	1.8
247.02426	1.0
248.02977	0.8
249.04068	2.6
257.00903	1.5
258.01611	0.9
259.99582	1.3
273.00400	1.8
274.01288	3.0
275.01978	6.8
285.06012	0.8
286.98309	1.3
287.01953	1.0
297.06290	1.6
299.99292	1.0
300.99875	11.2
302.00375	1.5
303.01419	0.9
313.05679	19.3
313.09314	1.0
316.99615	0.7
317.02972	1.3
327.07315	3.1
333.02573	2.3
336.46021	0.6
361.01965	0.8
371.07758	1.4
389.11176	1.1
449.03497	1.2
453.10428	1.3
457.02274	1.7
466.02734	4.3
466.53140	0.9
509.05582	4.8
510.06433	1.3
541.15704	100.0
542.15973	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	540.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82952	0.8
54.50541	0.8
59.01386	3.1
60.53296	0.7
61.98835	23.2
67.01859	0.8
69.33943	7.8
71.01398	4.4
85.02968	1.6
87.00903	0.8
95.01383	1.0
97.02956	1.2
99.00809	0.7
101.02461	2.2
107.01411	6.6
109.03024	0.7
111.00900	1.6
113.02475	1.6
123.00906	10.6
124.01773	1.1
125.02454	42.1
126.02778	3.4
136.98817	1.5
139.00381	4.1
140.01167	3.5
141.01981	1.2
148.05327	16.5
148.06386	0.8
151.00394	6.3
153.01965	1.3
161.04517	0.9
163.07646	5.2
168.00639	5.1
169.01437	64.7
170.01709	3.8
170.78413	0.7
173.07362	0.7
183.02992	1.4
190.81075	0.8
193.01483	0.9
205.27379	0.9
211.02481	2.3
225.11313	1.1
241.03415	1.3
271.04565	1.8
297.06387	0.9
313.05661	22.7
313.09299	1.4
314.06088	6.8
380.88962	0.9
477.14047	100.0
478.14322	9.6
539.33887	1.6
540.17462	9.6
541.23651	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	540.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.2
61.98835	100.0
70.17545	0.5
70.17913	1.0
71.01392	0.7
78.90385	0.2
85.02962	0.3
87.00890	0.6
88.98795	0.5
89.02486	0.3
96.71931	0.2
96.96014	0.4
98.20462	0.4
107.70228	0.2
114.24683	0.2
115.07597	0.3
123.74502	0.3
125.02493	0.3
141.09215	0.4
153.05606	0.3
164.92679	0.2
250.48138	0.3
319.22787	14.1
340.33548	0.3
481.28055	0.3
481.48459	0.3
541.30719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45363	0.8
54.43078	0.8
54.57837	0.8
57.03443	1.5
59.01375	2.3
61.98836	100.0
69.05631	0.8
72.76517	0.8
83.05031	0.8
85.06602	4.6
95.05022	1.3
97.02970	0.8
97.70811	0.7
98.20643	2.3
101.02482	1.0
101.53276	0.7
109.06601	1.9
111.04526	3.2
113.01099	0.7
119.21727	0.7
125.02461	5.8
139.03993	1.7
147.83952	0.7
153.05589	32.6
154.05939	1.2
332.87012	0.9
401.82019	0.8
477.24979	55.3
478.25223	5.9
541.23718	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	541.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01125	0.5
59.01385	5.0
61.13153	0.4
61.98845	2.3
62.97475	0.4
69.27651	4.3
69.35101	0.5
71.01387	3.1
72.99310	1.6
73.02955	1.3
79.95734	8.4
80.96520	3.7
83.01395	1.0
83.04994	0.5
85.02954	3.6
87.00871	0.8
88.98772	0.8
89.02460	2.8
93.28735	0.4
95.01415	0.7
95.95267	0.4
96.96016	100.0
97.02935	0.4
99.00900	0.6
99.04536	0.4
101.02441	3.3
107.01402	1.0
109.02973	0.7
111.00878	1.2
113.02472	2.4
119.03505	0.9
120.99622	1.4
123.00895	3.0
125.02446	6.7
126.02827	0.6
127.00410	0.4
127.04007	0.8
136.99158	8.9
137.02550	0.5
138.97079	4.7
139.00381	1.7
140.01157	1.3
147.11748	0.5
151.00392	2.9
164.98633	2.5
168.00685	1.1
169.01425	8.2
170.01796	0.7
191.10803	0.9
211.02478	2.2
225.00748	78.6
226.01045	2.6
249.06117	0.5
267.07184	1.3
271.04605	2.0
271.99985	0.5
282.89658	0.4
298.98407	0.8
299.99121	35.0
300.99506	2.6
315.01468	33.0
316.01776	2.7
348.76138	0.5
389.18143	7.2
461.07324	5.7
461.20227	2.0
462.07675	0.5
496.77875	0.5
497.20496	2.1
523.18433	1.0
540.21802	5.5
540.34656	0.8
541.03149	4.9
541.19775	17.7
542.20477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12594	0.4
52.13564	0.4
54.56615	0.4
55.01868	0.4
57.03432	0.8
59.01379	12.1
61.98832	3.6
65.00294	0.4
67.01888	1.5
69.03459	0.9
69.42825	3.5
70.67902	0.4
71.01383	6.9
72.99310	1.9
73.02958	1.4
75.00858	0.8
79.01892	1.0
81.60115	0.4
83.01392	1.7
85.02947	2.2
86.03289	0.4
87.00884	1.5
88.98806	1.1
89.02438	5.2
95.01370	2.4
96.01714	0.4
96.96034	1.0
97.02956	0.8
99.00900	0.6
100.42715	0.4
101.02442	3.9
107.01401	5.1
108.01736	1.3
111.00906	2.7
112.01238	0.5
113.02453	2.2
117.03463	0.6
119.03518	1.2
123.00893	15.2
124.01161	3.4
125.02454	25.2
126.02794	4.8
127.00377	1.0
127.02934	1.4
131.03523	0.5
136.98828	1.6
137.02440	0.6
139.00389	5.5
140.01225	3.5
141.01869	1.7
145.02953	1.8
150.99164	0.6
151.00380	11.5
152.00710	3.4
152.34283	0.4
153.00793	0.4
153.01930	1.0
154.99876	0.6
163.04066	0.6
167.03589	0.5
168.00645	4.9
169.01428	34.5
170.01787	6.7
171.01863	3.4
179.03491	1.1
187.13390	3.1
211.02490	6.7
212.02832	1.7
213.02992	0.9
226.15311	0.5
241.03651	0.5
253.03557	0.5
258.47083	0.5
271.04596	7.8
272.04953	2.5
273.05035	1.3
274.05521	0.5
293.09009	0.6
300.99875	0.5
313.05682	4.9
314.06094	1.3
331.06696	0.7
377.29095	1.2
387.16577	0.8
388.17093	1.3
389.18274	1.6
477.10373	15.4
478.10770	1.0
497.20706	0.8
531.17206	0.4
539.20929	28.6
539.34460	1.6
540.21429	100.0
541.20654	10.4
558.18286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59271	0.4
55.01884	1.0
57.03446	1.3
60.56964	0.5
62.18454	0.5
69.90175	2.6
71.05018	1.1
78.84708	0.5
79.01894	2.9
85.06078	1.1
85.06593	19.0
92.99390	0.5
96.12999	0.5
97.02950	1.8
97.92018	0.4
98.20518	0.7
109.06600	6.0
111.04513	5.9
129.05542	0.6
135.04543	3.0
151.03981	2.4
152.04787	1.1
153.05583	36.7
154.05980	1.2
165.01953	1.3
179.03500	4.0
180.04306	5.1
180.94823	0.4
184.03729	0.6
193.05042	1.1
194.05840	4.4
197.09804	0.5
205.05057	0.6
207.06628	3.3
208.07153	0.6
212.03386	0.5
231.48360	0.5
235.09619	0.8
236.10527	0.8
249.11400	1.6
263.12860	1.4
277.14584	0.7
303.15512	0.5
305.15826	0.5
317.17389	0.7
327.23276	0.7
331.19168	1.9
341.17239	0.5
365.24988	0.7
383.22223	0.8
393.17007	0.5
395.29428	0.6
409.23758	6.2
410.24319	1.1
427.24878	10.1
439.28677	1.1
483.27573	12.1
484.27762	1.1
495.31210	7.5
496.31583	0.9
539.30151	100.0
540.30554	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	539.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
61.98838	2.9
64.41141	0.5
69.77685	1.1
69.78106	1.9
71.05016	1.0
73.83642	0.6
79.01883	2.8
85.06592	11.3
88.16048	0.5
94.90609	0.5
97.02940	2.0
98.50493	0.6
107.05010	0.5
109.06591	7.4
111.04533	6.6
123.04556	1.1
123.08238	0.5
132.67871	0.5
135.04503	2.4
136.05318	0.5
151.03993	2.2
152.04799	2.2
153.05580	45.3
154.05898	1.8
165.01950	0.7
165.05592	0.7
179.03506	4.7
180.04297	9.2
184.03757	0.7
193.05104	1.0
194.05846	5.5
207.06660	4.9
208.07269	1.0
212.03258	0.8
219.13896	0.7
221.08246	0.8
226.04875	0.6
235.09811	0.6
249.11275	2.0
257.61136	0.5
263.12897	2.2
264.13654	0.9
276.20862	0.5
277.14380	1.3
277.29724	0.5
283.48886	0.5
314.51654	0.5
317.17584	1.4
369.21085	0.7
379.26587	0.6
383.21835	0.8
395.22345	0.8
395.29431	2.9
397.23093	0.5
409.23676	1.9
410.24637	2.3
423.25427	1.7
427.24777	1.1
439.28534	2.9
451.32129	0.9
467.24136	0.8
483.27521	13.1
484.27960	1.5
495.31155	29.3
496.31491	4.0
539.30139	100.0
540.30365	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	539.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12313	1.8
57.03451	23.5
58.00593	3.6
59.01385	79.1
69.03453	3.0
71.01386	50.4
73.02958	6.4
81.03465	2.9
83.01401	3.2
85.02962	7.2
87.00896	4.6
89.02451	96.2
97.02962	3.9
101.02438	19.5
111.00942	3.4
113.02438	13.3
119.03529	4.7
119.36575	2.3
123.00896	4.8
125.02453	26.6
125.09710	2.6
131.03506	26.7
149.04562	48.4
151.00473	2.8
169.01408	6.1
185.11848	100.0
186.12161	4.3
191.05595	11.4
209.83063	1.9
211.02568	2.6
233.06494	3.8
245.64874	2.4
271.04556	5.2
273.05295	2.5
293.08801	62.4
294.08984	2.4
299.29419	2.1
479.21313	5.4
539.21814	21.1
540.22504	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	539.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01390	20.1
61.78379	1.5
61.98835	45.3
66.76083	1.6
71.01389	11.2
72.99324	2.1
73.02945	6.7
73.92889	1.7
83.01395	4.2
85.02950	6.1
87.00890	1.7
88.98786	4.5
89.02461	7.6
93.03507	2.8
95.01354	2.5
96.96018	12.0
97.02959	1.8
98.95650	1.7
99.04491	3.0
101.02455	9.4
107.01420	4.0
107.62895	1.6
108.02150	2.1
109.02976	3.7
111.00887	4.3
113.02493	3.6
117.05591	1.9
119.03517	2.7
119.05075	2.4
121.02972	9.3
122.03773	2.4
123.00878	8.1
123.04560	3.8
124.01648	3.7
125.02460	33.8
125.09717	4.4
126.02818	3.3
135.04538	3.3
137.02481	6.0
139.00398	5.6
139.03981	2.4
141.01904	1.8
145.02977	5.3
147.04559	8.2
149.06078	1.8
151.00366	5.7
151.04018	2.1
151.07620	3.6
153.01886	3.0
161.06029	2.5
163.04016	2.3
165.05608	12.5
168.00696	5.3
169.01440	41.2
170.01813	2.1
173.06009	2.4
179.03551	2.1
179.07161	4.6
179.10767	2.0
183.02995	2.3
191.07246	2.0
198.43576	1.6
211.02414	3.7
223.97762	1.7
225.11421	2.2
225.79761	1.7
238.06404	3.3
253.05345	1.8
254.05841	5.8
255.06680	3.8
255.15863	3.5
266.05896	4.6
267.06662	7.4
268.07431	2.7
269.08179	5.3
270.08954	2.5
271.04721	3.8
281.07974	4.0
282.09012	6.5
283.09692	1.9
286.05014	2.2
293.60110	2.0
294.09116	3.6
295.09885	8.5
309.11505	4.0
312.10226	2.8
313.05865	2.8
313.10913	2.6
314.08170	8.6
324.10291	1.8
325.10657	3.1
351.41327	1.7
373.18854	2.7
449.16183	11.8
451.30972	3.0
461.16025	1.9
475.18100	2.8
477.28558	3.5
479.17117	7.2
479.32169	10.5
491.17038	10.4
494.19418	7.4
495.29773	4.6
501.19617	2.1
506.19437	9.2
509.21835	87.9
510.22314	11.8
521.21820	100.0
522.22015	13.5
539.21497	75.0
539.33948	6.4
540.22211	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03451	2.9
59.01387	16.6
60.11288	1.0
61.98829	4.4
65.04008	1.0
66.79844	0.9
67.01905	1.1
69.03450	1.3
69.54775	5.0
69.55181	1.6
71.01385	18.8
72.99323	3.0
73.02958	7.3
83.01408	6.4
85.02956	9.0
86.00126	2.1
87.00883	2.4
89.02464	5.2
93.03460	1.6
93.74891	0.9
95.01408	4.1
95.05077	0.9
96.96034	4.2
97.03020	1.5
99.00883	1.7
101.02451	13.5
101.02984	1.2
106.63629	0.9
107.01408	3.2
109.02948	1.2
111.00941	3.0
111.35601	0.9
111.83433	0.9
112.74707	0.9
113.02490	4.4
119.03476	1.1
120.99657	5.9
121.02999	3.8
122.03787	4.0
123.00910	8.0
123.04616	1.9
125.02457	23.7
126.02816	1.1
133.02951	6.2
134.03801	1.3
136.98936	1.2
139.00426	3.4
140.01193	2.8
141.01993	2.3
147.04591	1.6
149.02460	28.0
149.03586	1.4
149.06078	1.5
150.03242	31.3
151.00394	5.8
151.03685	1.0
152.84009	0.9
163.11320	1.2
164.03676	1.1
164.04802	5.1
165.05582	26.8
166.06294	3.4
167.07127	2.3
168.00714	3.6
169.01443	26.8
169.02794	1.6
170.01897	1.7
173.00645	0.9
173.02182	1.0
178.86826	0.9
180.04320	1.9
181.08701	5.1
188.33102	1.0
195.06654	10.6
211.02496	12.8
211.04329	1.3
247.02580	4.0
271.04633	16.6
272.04861	2.2
273.05338	1.9
275.01889	2.3
301.00006	2.8
313.05658	2.4
314.11630	6.0
329.13940	10.1
330.14392	1.5
331.06903	2.4
343.13913	9.1
344.38126	1.2
377.12320	2.0
387.16977	3.3
439.09274	2.6
491.19229	100.0
492.19553	11.4
539.21631	73.3
540.22327	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77058	0.4
54.03954	0.4
57.03456	2.0
59.01381	2.5
66.14896	0.4
67.01899	0.7
69.03455	0.9
69.39888	2.6
69.40294	0.6
71.01395	2.1
72.99306	0.8
73.02953	0.5
74.28027	0.4
79.01884	1.2
80.35257	0.4
80.70125	0.4
83.01374	0.6
85.02950	1.0
89.02457	0.8
95.01376	1.4
96.96006	0.5
97.02938	0.7
99.00914	0.4
101.02444	1.6
107.01395	4.6
111.00893	1.5
113.02448	1.0
117.45097	0.4
117.84032	0.4
123.00901	12.4
123.08166	0.8
124.01651	1.2
125.02457	20.2
126.02789	0.5
127.00387	0.5
136.98801	1.1
137.09698	1.2
139.00381	4.0
140.01187	3.0
140.20654	0.4
141.01971	1.3
151.00363	9.0
151.07727	0.5
151.11285	0.7
153.01926	1.0
153.03072	1.6
153.12880	0.7
163.11299	0.8
168.00650	3.4
169.01436	28.8
170.01802	0.5
195.14011	0.9
197.15442	1.4
207.13902	0.9
211.02492	1.8
225.05151	0.6
225.14992	3.5
232.07352	0.4
246.94473	0.4
251.31430	0.4
253.03687	0.5
271.04630	1.2
297.06094	0.7
299.13062	0.4
313.05704	5.0
332.40338	0.5
377.28940	0.9
539.21368	100.0
540.21722	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	0.5
59.01382	5.4
64.95416	0.3
67.01882	1.0
69.38161	3.4
69.38579	0.7
71.01391	3.5
72.99325	0.6
73.40382	0.4
79.01891	1.1
83.01373	0.4
85.02952	0.9
89.02438	1.5
93.03466	0.6
95.01378	1.4
97.02921	0.7
101.02441	1.7
107.01402	2.9
109.02962	0.5
110.00102	0.6
111.00880	2.1
113.02450	1.2
123.00894	8.5
124.01669	1.7
125.02455	17.2
127.00407	1.1
136.98799	1.6
137.02467	0.6
139.00407	4.0
140.01210	2.7
141.01872	1.2
141.48457	0.4
142.16222	0.4
151.00371	6.3
152.01108	0.5
153.01915	1.0
153.94688	0.5
167.03555	0.4
168.00668	6.4
169.01442	27.7
170.01816	0.8
211.02501	25.2
212.02837	0.8
212.63704	0.4
216.39992	0.4
230.07887	0.4
241.03502	0.9
263.31476	0.4
271.04602	25.7
272.04910	1.3
303.44958	0.4
313.05719	1.0
331.06628	0.6
481.17325	0.5
539.21368	100.0
540.21747	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	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.7
67.01908	1.2
69.67905	4.2
71.01385	5.9
71.26928	0.6
73.02962	0.8
79.01936	1.5
83.01395	0.9
85.02972	1.4
89.02446	3.4
95.01400	2.3
98.20555	0.8
101.02470	2.8
107.01387	4.4
111.00909	2.4
113.02475	2.3
119.03511	1.2
123.00901	14.0
123.01738	1.1
124.01688	1.8
125.02459	19.4
136.98862	1.1
139.00385	5.4
140.01169	3.4
141.01968	1.8
147.60391	0.7
151.00386	12.1
153.02022	1.2
163.11334	1.7
165.05472	0.6
168.00716	3.1
169.01440	24.7
170.01936	1.6
176.12936	0.8
193.28764	0.8
211.02582	2.4
220.40396	0.7
271.04672	2.3
313.05905	2.4
387.16589	6.9
526.72192	0.9
539.21643	100.0
540.22076	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	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03448	0.8
58.00591	0.5
59.01384	58.9
64.19869	0.5
69.48225	5.0
71.01390	10.9
72.99295	1.1
73.02946	0.9
83.01395	1.6
85.02950	2.9
87.62257	0.6
89.02446	16.1
93.74542	0.6
95.01390	1.6
97.02940	0.7
99.00889	0.8
101.02452	9.2
107.01387	2.6
111.00860	2.0
113.02438	6.0
119.03511	6.0
123.00891	8.7
124.01611	1.0
125.01636	1.0
125.02451	14.5
127.00402	0.6
131.03537	0.9
136.98824	1.0
139.00336	2.7
140.01114	2.4
143.03525	0.6
149.04510	1.9
151.00401	4.3
163.11255	6.4
168.00645	4.4
169.01433	20.7
170.01762	0.8
185.11772	1.1
207.10254	13.0
211.02486	14.0
212.02847	1.3
225.11256	1.3
271.04556	17.6
272.04941	1.9
273.05029	2.3
293.08752	2.1
331.06586	2.6
334.97034	0.6
387.16617	45.8
388.17007	3.9
479.15515	5.7
521.16534	3.1
539.17584	100.0
540.17926	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	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64359	0.6
59.01382	52.7
67.01897	0.7
67.07534	0.6
69.49165	3.4
69.49572	1.1
71.01382	10.7
75.00883	0.6
79.01916	0.9
83.01402	1.1
83.89948	0.5
85.02954	2.8
87.00856	0.7
89.02454	12.4
95.01341	0.7
99.00903	0.6
101.02452	7.5
107.01367	2.4
113.02457	5.2
119.03496	4.8
123.00890	4.6
124.01690	0.8
125.02441	11.0
139.00381	1.2
140.01152	1.8
147.08167	1.3
151.00352	2.3
153.80318	0.7
163.11288	34.4
164.11633	1.1
164.79547	0.6
168.00607	2.7
169.01430	14.6
177.04027	0.6
211.02464	9.8
271.04678	6.8
272.29581	0.6
316.02045	0.8
387.16595	55.9
388.16943	4.7
449.07788	0.7
479.15509	3.0
521.16656	3.2
539.17688	100.0
540.18018	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	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72669	0.9
57.03456	1.0
59.01384	14.8
61.33458	0.8
61.98838	6.7
65.92241	0.8
67.01890	1.9
69.03455	1.1
69.84081	4.6
71.01377	7.9
72.97520	1.9
72.99298	1.8
73.02938	1.4
78.95927	0.9
79.01870	1.8
81.12652	0.8
83.01376	2.1
85.02953	5.1
88.98780	1.0
89.02443	3.7
95.01390	3.8
96.96008	4.1
97.02947	1.1
99.00882	0.9
101.02458	4.1
107.01391	10.1
109.02965	2.4
110.00088	0.9
111.00903	4.2
111.44733	0.9
113.02436	4.1
120.99699	1.4
121.02956	15.9
122.03709	2.8
123.00886	21.5
124.01613	1.7
125.02451	50.4
126.02853	1.3
127.00383	1.4
135.04500	1.1
136.98796	3.2
137.02422	2.5
137.06139	0.9
138.03230	1.1
139.00395	11.2
139.04042	1.5
140.01163	4.5
141.01949	2.1
149.02426	1.4
150.03075	0.9
151.00385	13.8
151.03944	2.6
152.00761	0.7
153.01901	2.2
157.32234	0.8
161.02408	2.2
163.04100	1.0
163.07657	9.3
163.11267	3.1
165.01898	3.0
165.05577	50.3
166.02678	1.3
166.05878	1.9
168.00633	6.9
169.01436	66.9
170.01741	1.8
177.01886	2.7
177.04085	1.2
178.05319	1.0
179.03548	1.9
180.04224	3.4
181.05069	2.1
183.02983	2.7
189.05548	1.1
191.03468	1.3
193.01418	1.1
193.05017	1.5
195.06642	1.8
207.06691	4.5
211.02521	5.1
212.02763	1.2
225.07678	39.8
226.08005	1.3
241.03545	1.2
249.03983	1.0
253.03525	1.5
271.04639	4.9
275.01913	2.7
301.00034	4.7
313.02206	1.4
313.05658	21.4
331.08124	1.0
332.08777	1.1
347.11298	4.5
358.65906	1.0
369.11725	1.5
377.08453	1.2
377.12341	4.4
387.08505	1.6
387.12778	19.2
387.16849	3.9
388.13150	1.9
479.11871	4.9
509.13016	11.7
521.13202	6.5
539.13965	100.0
539.21344	65.7
540.14471	8.3
540.21613	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	538.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
59.01389	3.3
61.98833	100.0
71.01392	1.9
73.02951	0.9
83.01402	0.4
85.02951	1.0
87.00880	0.5
88.98827	0.5
89.02441	1.5
96.95998	0.5
99.00894	0.5
101.02460	1.4
113.02444	0.6
119.05096	0.5
122.72666	0.3
125.02467	0.6
131.03485	0.5
149.04533	0.3
161.04585	0.6
162.62672	0.3
165.05566	0.4
200.25417	0.3
247.17480	0.4
315.11496	0.3
332.11157	0.3
336.52161	0.3
345.23044	1.2
346.23132	1.1
352.00067	0.4
477.26907	1.8
478.27499	2.1
496.41974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62060	1.2
55.01880	2.0
56.39582	1.0
57.03452	8.8
57.54026	1.1
58.00584	1.5
59.01385	35.4
65.00341	1.1
66.11266	1.0
69.31311	1.3
69.31631	11.4
71.01383	19.6
72.99307	2.1
73.02956	2.5
74.99068	1.2
75.00870	1.1
76.35379	1.3
78.88921	1.1
81.03432	2.1
83.01389	4.2
85.02954	4.8
87.00891	3.0
89.02448	16.5
90.14945	1.1
93.03472	2.8
95.01380	2.6
96.96026	4.2
97.02966	4.1
101.02438	11.9
105.91537	1.2
107.01405	5.6
108.02234	1.4
109.02939	1.6
111.00875	3.7
113.02451	6.9
119.03516	5.3
119.53130	1.0
121.02969	3.9
122.02971	1.3
122.03728	5.6
123.00898	8.2
124.01772	1.2
125.02454	100.0
126.02782	6.9
127.00410	1.5
127.02908	2.6
133.03008	2.9
136.98764	2.0
137.02409	1.6
139.00377	4.8
139.04039	2.2
140.01135	4.3
141.01923	2.3
145.02921	1.5
149.02446	16.8
149.06026	1.2
150.03233	40.2
151.00369	7.9
152.00908	1.2
153.01938	2.0
161.02451	1.6
161.04526	1.3
162.03226	3.4
163.11263	7.5
164.04758	3.0
165.05580	41.4
166.06224	3.2
167.03534	2.5
168.00645	9.5
169.01431	57.2
170.01872	7.5
171.01883	4.9
177.04184	1.2
177.05493	5.4
179.03477	1.3
179.05592	2.3
180.04233	2.0
181.05028	2.9
181.08693	3.4
195.06627	19.6
211.02480	33.7
212.02835	18.7
213.02994	10.6
225.04065	1.3
241.03619	1.9
266.36023	1.2
271.04608	42.9
272.04950	32.7
273.05118	28.2
300.99677	2.0
313.05716	14.9
314.06201	1.2
314.11627	2.0
329.13773	3.4
331.06766	5.7
332.07071	9.4
333.07278	8.7
343.13907	9.8
377.15887	4.7
387.16675	14.2
439.08795	44.2
440.09058	3.3
477.10245	2.0
491.19290	37.9
492.19656	2.7
506.36194	1.2
538.20355	5.4
539.10260	30.7
539.20068	49.1
540.10291	2.5
540.21014	2.2
548.30902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90523	0.9
55.01875	2.4
57.03452	2.5
58.11327	1.0
58.81055	1.1
59.01385	59.2
61.98837	29.2
69.03446	1.1
71.01389	35.6
71.05022	1.2
71.61736	1.7
72.61448	1.0
72.99335	4.9
73.02962	4.1
74.68819	1.0
75.00861	2.5
79.90487	1.0
80.05558	1.0
81.03483	1.3
82.09044	1.2
83.01400	4.1
83.05040	1.4
85.02960	11.5
87.00886	4.0
89.02455	30.8
95.01411	2.9
96.96016	3.7
99.00945	1.2
101.02456	23.1
107.01440	1.3
109.02971	1.3
111.00911	1.0
111.04523	1.4
113.02478	13.1
113.60809	1.2
117.05576	1.2
119.03513	14.4
123.00924	3.6
123.04530	1.8
125.02467	8.1
131.03508	1.9
137.02451	1.6
139.00449	1.3
139.04060	2.6
143.03506	1.6
145.02968	2.3
151.00366	2.2
153.02036	1.4
159.03143	1.1
161.04604	5.5
163.04134	1.3
167.03568	1.1
169.01437	7.8
169.05090	1.2
179.05620	4.8
188.12979	1.2
211.02559	1.6
212.27226	1.3
219.96899	1.3
223.09727	1.7
243.19524	2.1
287.22427	1.5
315.25400	10.5
327.70828	1.0
477.30716	100.0
478.31094	9.2
537.06580	1.5
537.20367	7.2
537.30585	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40633	0.6
61.98840	3.4
69.71862	3.4
71.72098	0.6
88.34969	0.5
93.66122	0.5
107.05039	1.2
109.06620	0.9
113.28141	0.6
123.04521	1.2
135.04518	1.0
151.04015	3.8
152.04820	4.0
153.05592	3.3
165.01993	2.7
179.03516	8.4
180.04300	19.0
181.04697	0.6
184.03757	1.1
193.05067	1.6
194.05836	9.0
195.06204	0.6
196.89397	0.8
207.06636	10.7
208.07368	2.5
212.03258	2.5
221.08191	2.7
226.04791	1.0
235.09853	2.8
236.10588	2.0
240.06320	0.6
240.16875	0.6
249.11388	0.8
261.11432	1.2
271.17004	0.9
275.12997	0.7
276.13510	0.9
289.14453	4.7
290.14743	0.7
297.28571	0.6
305.17566	0.9
306.38895	0.6
315.16068	2.1
329.17548	2.6
355.19104	3.1
369.20764	2.3
383.22305	3.8
384.22916	4.0
385.23502	0.7
537.35931	100.0
538.36328	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	537.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39391	1.2
59.01380	10.7
61.98834	16.7
68.99572	1.4
69.61967	3.6
69.62391	4.2
71.01389	11.5
72.99304	3.4
73.02956	3.1
75.00874	100.0
83.01374	2.1
84.08649	1.1
85.02961	4.6
87.00865	2.4
88.79617	1.2
88.98822	2.5
89.02441	7.4
95.07810	1.3
96.96024	2.4
97.02918	2.7
101.02464	8.1
108.02122	1.6
108.90527	1.2
111.00877	2.7
113.02443	4.9
121.02930	2.2
121.86367	1.1
123.00874	2.6
123.04546	2.3
125.02417	9.0
133.10262	1.3
134.86200	1.2
135.04526	4.0
135.11792	1.9
137.02438	1.8
139.00381	25.8
139.03999	4.4
145.02946	4.6
149.04579	2.2
151.00368	1.6
151.04018	1.7
153.01898	4.0
154.02724	21.7
159.04576	1.3
161.04558	5.1
161.09712	3.8
168.04277	1.5
169.01427	7.1
169.05064	36.5
170.05449	1.2
179.10744	8.5
180.07951	12.0
208.07344	2.0
211.02592	2.7
223.07582	1.6
223.09785	26.1
243.06607	2.4
250.81589	1.3
251.03325	1.6
257.17441	1.7
265.05093	2.2
266.05981	1.5
271.05072	1.3
283.09836	1.5
293.08691	3.5
315.25552	1.7
325.10806	3.1
331.10284	1.8
339.08926	1.5
366.35358	1.4
371.15137	1.3
383.15009	4.7
431.14874	2.0
444.11841	2.5
447.14413	2.8
456.11996	1.3
459.14297	12.0
462.16479	4.4
471.14493	3.0
474.16928	6.1
477.19138	14.1
477.30560	4.9
478.19705	1.9
486.16763	3.8
489.19250	28.7
489.25809	1.0
490.19614	2.9
501.19034	10.0
507.20029	5.8
508.20721	1.6
519.20270	17.0
537.07141	2.4
537.19543	6.5
537.32312	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	537.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92129	0.9
57.03440	1.6
58.00602	2.3
59.01384	33.1
61.98810	1.4
69.03462	2.0
69.62608	2.5
69.63016	2.6
71.01389	34.1
72.99325	2.5
73.02956	10.1
75.00895	1.2
79.95718	1.5
83.01398	8.6
85.02959	9.6
87.00880	34.1
89.02451	33.5
95.01395	4.2
96.96013	23.8
97.02957	3.0
98.20631	1.7
99.00890	1.7
101.02454	18.3
107.01397	8.7
111.00880	1.6
113.02457	24.6
115.03997	1.5
119.03504	10.8
123.00877	5.3
124.01665	1.6
125.02457	53.0
126.02767	1.0
129.01936	1.4
131.03499	1.5
139.00360	2.4
140.01181	1.2
141.01949	4.0
143.03503	6.0
149.04462	1.2
151.00362	5.4
161.02567	1.0
161.04575	9.5
167.14397	2.2
168.00661	6.0
169.01436	75.0
170.01746	2.5
179.05634	14.3
179.10757	2.9
179.14394	1.3
183.13907	14.8
191.14474	2.5
195.12233	1.4
195.13905	13.5
197.15475	2.9
207.13823	1.8
209.15421	4.5
211.02493	11.0
213.14972	100.0
214.15266	4.7
219.15530	0.8
223.09778	2.9
223.17163	1.1
227.16568	9.6
237.14986	6.4
241.03545	2.5
249.14944	2.5
255.16066	9.8
267.15991	2.9
271.04630	11.9
313.05667	40.2
314.05948	2.5
323.09833	12.4
325.12906	1.2
331.06519	2.4
341.10898	56.5
342.11105	2.6
375.27341	4.0
385.15002	2.3
493.17145	19.7
494.17444	2.7
519.19800	1.1
537.16449	19.3
537.32922	4.0
538.15814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15549	0.7
57.03446	0.9
59.01384	8.7
61.98838	14.4
71.01389	11.6
72.99323	1.1
73.02937	3.4
75.00878	7.9
76.13880	0.7
83.01393	2.1
85.02950	5.3
87.00868	1.1
88.98808	4.8
89.02439	3.1
91.01889	1.0
92.63360	0.9
93.03453	0.8
95.01367	1.4
96.96005	1.9
98.00083	1.0
99.00856	1.1
101.02444	8.7
107.05034	0.8
108.02196	1.9
110.00086	1.1
111.00876	5.8
113.02456	6.6
116.59051	0.7
119.03542	1.2
123.00890	2.0
123.04527	1.0
124.01653	1.2
125.02502	6.7
133.10246	3.2
135.04543	1.0
135.11815	6.1
137.02446	1.5
139.00378	74.8
140.01115	2.0
143.03491	1.6
145.02901	1.0
151.00386	0.9
151.03938	1.3
151.51271	1.0
152.01125	1.1
152.04759	1.0
153.01952	7.1
154.02722	66.1
155.03163	2.3
159.02977	0.8
159.08180	2.0
161.04550	8.3
161.09727	13.7
167.03462	1.4
168.00673	2.2
168.04231	2.9
169.01468	6.0
169.05064	100.0
170.05411	3.5
179.03484	2.6
179.10782	24.2
180.11122	1.4
195.06775	0.7
203.10745	0.9
211.02548	3.6
223.09766	1.0
243.06631	7.1
271.04578	4.1
313.09286	2.1
315.25244	1.3
323.14948	2.6
331.10590	3.9
345.02448	3.2
375.07309	5.9
477.19418	0.9
477.30606	2.4
489.18939	0.9
507.19962	1.5
537.20050	11.2
537.32813	5.5
538.20709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15549	0.7
57.03446	0.9
59.01384	8.7
61.98838	14.4
71.01389	11.6
72.99323	1.1
73.02937	3.4
75.00878	7.9
76.13880	0.7
83.01393	2.1
85.02950	5.3
87.00868	1.1
88.98808	4.8
89.02439	3.1
91.01889	1.0
92.63360	0.9
93.03453	0.8
95.01367	1.4
96.96005	1.9
98.00083	1.0
99.00856	1.1
101.02444	8.7
107.05034	0.8
108.02196	1.9
110.00086	1.1
111.00876	5.8
113.02456	6.6
116.59051	0.7
119.03542	1.2
123.00890	2.0
123.04527	1.0
124.01653	1.2
125.02502	6.7
133.10246	3.2
135.04543	1.0
135.11815	6.1
137.02446	1.5
139.00378	74.8
140.01115	2.0
143.03491	1.6
145.02901	1.0
151.00386	0.9
151.03938	1.3
151.51271	1.0
152.01125	1.1
152.04759	1.0
153.01952	7.1
154.02722	66.1
155.03163	2.3
159.02977	0.8
159.08180	2.0
161.04550	8.3
161.09727	13.7
167.03462	1.4
168.00673	2.2
168.04231	2.9
169.01468	6.0
169.05064	100.0
170.05411	3.5
179.03484	2.6
179.10782	24.2
180.11122	1.4
195.06775	0.7
203.10745	0.9
211.02548	3.6
223.09766	1.0
243.06631	7.1
271.04578	4.1
313.09286	2.1
315.25244	1.3
323.14948	2.6
331.10590	3.9
345.02448	3.2
375.07309	5.9
477.19418	0.9
477.30606	2.4
489.18939	0.9
507.19962	1.5
537.20050	11.2
537.32813	5.5
538.20709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99889	0.9
57.45191	0.8
59.01373	6.2
69.55761	5.4
71.01375	3.3
73.02974	1.2
78.55027	0.8
79.67819	0.9
83.01412	1.2
84.79921	0.9
85.02991	1.1
89.02445	2.7
95.01422	1.2
101.02415	2.0
103.18462	0.8
107.01383	3.9
111.00871	2.0
123.00887	5.2
124.01648	2.8
125.02457	23.0
126.02805	0.8
136.61198	0.9
136.98784	1.6
139.00388	3.2
139.04042	1.0
140.01149	3.4
141.01996	1.1
151.00365	3.0
167.03552	1.0
168.00648	12.2
169.01431	33.3
189.03119	0.8
211.02483	59.5
212.02835	2.4
241.03470	1.5
256.82480	0.8
271.04593	100.0
272.04990	4.2
331.06680	21.9
421.47104	0.9
537.19836	34.4
538.20624	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01387	4.0
67.01883	1.1
69.25597	4.2
71.01387	3.4
72.99292	0.5
79.01891	0.8
83.01394	1.1
85.02951	1.2
87.00888	0.6
89.02454	1.3
92.38598	0.4
95.01396	1.4
97.02934	0.7
101.02435	1.8
107.01395	4.2
107.11414	0.4
108.39407	0.4
109.12808	0.4
111.00883	1.6
113.02447	1.4
122.73991	0.5
123.00895	14.0
124.01647	1.2
125.02454	18.6
127.00378	1.2
136.05298	0.7
136.98814	1.4
137.02461	0.5
138.29564	0.4
139.00389	5.0
140.01152	3.5
141.01936	1.8
145.97032	0.4
151.00375	10.6
151.03900	0.4
152.08394	0.6
153.01973	0.5
153.09207	1.1
163.03966	0.6
167.99347	0.7
168.00658	6.0
169.01437	28.0
170.01797	1.3
177.03995	0.7
205.12384	1.8
209.04623	0.5
211.02469	9.5
211.43933	0.5
225.36087	0.4
229.09293	0.5
241.03644	0.6
271.04599	7.2
297.05792	0.5
313.05676	1.6
331.06506	0.4
466.15543	0.5
519.18671	0.4
537.19775	100.0
538.20148	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	537.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39544	1.0
55.71029	1.2
57.03431	3.7
59.01383	9.1
60.19831	1.2
60.84338	1.1
67.01898	1.3
69.53136	8.4
71.01392	8.5
72.93821	1.0
85.02959	2.9
89.02448	4.2
93.80374	1.1
95.01385	3.4
97.86617	1.1
101.02440	4.5
107.01416	9.6
111.00879	4.4
113.02476	1.9
119.03478	1.4
123.00891	20.9
124.01638	2.5
125.02452	53.7
127.00340	1.6
136.98813	3.3
137.02364	1.5
139.00357	9.6
140.01163	8.8
141.01941	2.8
147.08159	1.2
149.04538	2.0
151.00375	16.2
151.11264	1.4
151.18132	1.2
153.02005	1.4
156.29448	1.2
166.23122	1.4
167.03471	2.2
168.00659	17.2
169.01434	73.7
174.53154	1.0
179.10741	3.6
187.11380	2.3
205.12375	3.9
211.02483	59.8
212.02806	2.5
223.13541	1.2
241.03650	2.8
253.03546	1.4
271.04602	96.4
272.04889	4.8
297.06274	1.9
313.05682	10.0
331.06720	20.1
375.27393	1.4
378.61798	1.4
493.17072	11.6
519.18774	32.4
520.19202	3.7
537.19830	100.0
538.20190	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90754	0.5
55.01871	0.5
57.03439	1.3
59.01382	13.6
61.98838	2.8
65.00359	0.6
67.01897	1.7
68.99828	0.5
69.03483	1.0
69.56554	3.4
71.01385	10.3
71.01764	0.7
72.99323	1.5
73.02950	2.5
79.01907	1.1
83.01402	1.9
85.02951	3.8
87.00869	1.4
87.04526	0.6
88.98824	1.3
89.02448	7.8
95.01392	3.4
95.67952	0.4
96.96042	1.3
97.02994	1.1
99.00903	0.9
101.02450	6.1
107.01396	7.0
108.02220	0.6
109.02965	1.4
110.00093	0.8
111.00878	3.4
113.02451	3.9
117.05578	0.5
119.03526	2.5
121.02987	0.6
123.00899	14.9
123.04519	1.8
124.01714	1.9
125.02455	31.3
127.00414	1.7
135.00882	0.6
136.98778	2.2
137.02443	1.1
137.09749	1.2
139.00381	7.8
139.04054	1.0
140.01184	4.4
141.01942	1.7
143.03474	0.6
151.00372	9.6
152.00995	0.5
153.01971	3.1
153.05554	1.9
153.09227	0.6
161.02469	1.0
161.04602	1.2
165.01985	0.7
165.05586	1.6
166.99898	1.6
167.03508	1.3
168.00645	8.9
168.01970	0.7
169.01431	45.4
170.01778	1.7
175.11496	0.5
177.04033	0.9
179.03520	1.1
179.05681	0.6
179.10910	0.6
181.12401	0.4
187.13417	0.7
190.02789	0.8
193.05104	1.8
205.12323	1.3
211.00404	1.0
211.02475	22.2
212.02841	1.0
217.14471	2.3
223.09998	0.5
241.03593	1.1
243.06572	1.1
253.03539	0.6
271.04590	33.0
272.05106	1.6
275.02011	0.9
284.33157	0.5
297.06058	0.7
300.99963	1.2
313.05621	5.6
314.05997	0.5
331.06808	3.8
332.07767	0.7
375.27515	7.9
375.31882	0.7
376.28040	0.5
385.14706	0.5
399.09723	0.6
467.12158	0.7
474.20755	1.7
493.16980	2.8
519.18683	3.4
536.58856	2.7
537.19904	100.0
537.31903	10.4
538.20227	12.4
538.32709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
56.17906	0.4
58.00605	0.4
59.01373	4.9
60.25129	0.3
66.54192	0.4
67.01873	0.5
69.64407	2.0
71.01389	2.7
75.00881	0.4
83.01382	0.6
85.02962	0.5
89.02448	1.8
95.01383	0.7
99.67944	0.4
101.02470	0.9
107.01386	3.3
110.00127	0.4
111.00887	1.9
123.00893	5.3
124.01701	1.3
125.02451	20.8
127.00359	1.0
136.98813	1.6
137.02373	0.5
139.00368	2.8
140.01175	3.2
141.01840	0.9
151.00394	2.9
165.01939	0.7
167.03508	1.2
168.00647	11.7
169.01428	34.8
170.01761	1.1
181.01460	0.4
204.52167	0.5
211.02484	54.0
212.02924	2.2
216.38303	0.4
241.03586	1.0
271.04590	100.0
272.04892	4.1
286.33691	0.4
313.05838	0.5
331.06705	22.1
332.06979	0.8
366.64792	0.4
375.14426	0.7
386.84357	0.5
493.17746	0.5
535.68823	0.4
537.19800	24.8
538.20093	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01384	5.0
61.49660	0.3
62.76385	0.3
67.01900	0.7
69.03429	0.6
71.01388	3.0
72.99307	0.5
73.25996	0.4
79.01887	1.0
83.01402	0.8
85.02952	1.3
87.00857	0.5
89.02435	1.1
95.01389	2.2
97.02953	0.8
98.19733	0.7
99.00930	0.5
101.02446	1.7
107.01383	4.7
109.02924	0.4
110.00072	0.6
111.00893	2.1
113.02448	1.4
122.99982	0.6
123.00891	13.2
124.01656	1.6
125.02454	20.4
127.00391	0.9
136.05304	0.6
136.98822	1.4
139.00381	4.1
140.01183	4.1
141.01981	1.9
143.93488	0.3
151.00380	10.6
151.07616	0.5
151.35571	0.4
152.08463	0.4
153.01970	0.9
153.09167	0.9
163.11348	0.4
167.03484	0.4
168.00639	5.1
169.01434	25.8
170.01794	0.8
177.03883	0.6
179.03403	0.5
205.12320	1.2
211.02493	10.2
241.03537	0.8
271.01755	0.7
271.04596	11.7
272.04794	0.5
313.05621	1.5
331.06808	1.4
434.21780	0.3
450.22723	0.4
493.17126	1.5
519.18750	4.3
537.19788	100.0
538.20160	12.3
549.74951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.8
57.03450	1.6
59.01382	4.0
61.98830	1.1
66.58000	0.7
69.28170	2.4
69.28590	4.8
70.22688	0.7
71.01392	3.4
72.59985	0.8
73.02947	1.3
83.01357	0.9
85.02967	1.3
85.27255	0.7
87.00868	0.9
89.02447	2.0
92.04924	0.7
95.01400	1.6
98.19885	1.2
101.02438	2.1
107.01395	4.0
109.62403	0.9
110.00085	0.8
111.00868	2.3
113.02480	1.1
123.00895	13.0
124.01665	2.2
125.02452	21.3
133.85301	0.7
136.98840	1.4
139.00386	5.6
140.01161	3.3
141.01956	1.4
151.00377	9.1
151.03976	0.9
153.09195	0.9
165.01947	0.9
167.58334	0.7
168.00653	6.0
169.01439	31.8
211.02489	23.5
212.02773	0.8
226.75615	0.8
240.83751	0.7
271.04602	36.5
272.04886	1.4
295.26065	1.0
313.05594	1.0
331.06836	3.7
375.14496	2.0
537.19781	100.0
538.20374	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01379	6.2
62.14977	1.1
67.01887	2.3
69.03453	1.0
69.74020	1.8
69.74413	4.4
71.01392	6.3
72.99303	2.0
79.01892	1.3
81.94180	0.9
83.01395	2.4
85.02954	2.4
87.00861	1.1
89.02458	2.4
95.01385	2.7
97.02971	1.0
101.02439	3.6
103.82872	0.9
107.01402	10.0
109.06592	1.3
111.00863	3.8
113.02431	1.5
123.00901	21.8
124.01659	3.2
125.02460	45.2
126.02808	1.0
127.00378	1.9
135.08171	0.9
136.98798	3.4
139.00386	8.5
140.01152	7.2
141.01895	2.9
147.08177	1.6
151.00391	12.3
153.01926	1.0
153.77052	1.0
165.01915	1.0
167.03551	1.4
167.66010	1.1
168.00647	15.7
169.01440	74.9
170.01697	2.6
179.10861	5.6
183.37740	0.9
187.11276	2.5
205.12378	4.6
211.02492	34.9
212.02780	1.3
241.03531	2.1
271.04599	53.9
272.04938	3.0
297.06207	2.5
313.05640	9.8
331.06763	9.3
493.17139	15.1
519.18732	42.5
520.19049	4.0
537.19812	100.0
538.20160	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	537.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43357	0.6
57.03446	1.3
59.01386	14.3
61.98838	4.3
67.01888	1.8
68.13042	0.6
69.03473	1.5
70.35889	1.1
70.36281	1.6
71.01389	10.8
71.01765	0.9
72.99316	1.3
73.02952	3.1
75.00859	0.6
79.01905	0.9
79.69897	0.6
83.01410	2.1
85.02969	4.9
87.00903	1.6
89.02464	5.1
93.03434	0.6
95.01408	2.6
96.96026	2.9
97.02940	1.1
99.00901	1.3
101.02462	6.1
107.01402	5.7
107.05067	2.0
111.00911	3.3
113.02478	4.1
119.03559	2.3
119.04977	0.9
120.99674	2.2
121.02966	0.7
123.00903	13.0
123.04565	2.2
124.01691	2.0
125.02464	44.9
126.02785	1.1
127.00368	1.1
135.04578	0.8
136.98807	2.1
137.02461	1.0
139.00403	6.0
140.01233	3.8
141.01982	1.6
145.03050	0.9
149.04585	0.8
149.06117	0.6
151.00394	10.4
153.01913	1.0
153.09251	0.7
161.04565	1.5
163.04007	0.8
167.03494	3.0
168.00662	8.6
169.01443	54.5
170.01788	1.9
175.04034	0.7
179.05638	1.7
179.10820	4.1
195.13994	0.6
199.38086	0.7
209.88783	0.8
211.02480	21.2
212.02730	1.4
213.14915	2.9
218.02228	0.8
241.03561	1.2
246.01727	2.2
247.02562	2.8
255.16096	0.9
263.24719	0.7
271.04605	37.9
272.04996	2.1
297.06284	0.8
300.99948	1.0
305.55203	0.6
313.05783	4.4
323.09756	1.2
331.06772	6.1
341.10757	1.5
345.13486	0.8
357.26428	0.9
375.27664	5.5
449.18439	1.2
477.23636	4.2
493.17581	5.3
507.20187	1.0
519.19397	3.4
537.19922	100.0
537.31744	10.3
538.20184	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	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38671	0.2
59.01385	1.9
61.98833	3.0
65.00327	0.4
69.03454	0.2
69.40781	1.8
71.01381	1.5
73.02953	0.7
75.00870	0.6
80.02689	0.4
81.03446	0.2
83.01369	0.5
85.02959	0.7
88.98788	0.3
89.02456	0.9
91.01901	12.6
92.02219	0.3
93.03432	0.6
95.01392	0.7
96.96017	0.9
97.02966	0.2
98.19840	0.4
101.02447	1.0
107.01391	0.5
107.05048	0.8
108.02183	16.1
109.02990	3.1
111.00849	0.5
113.02448	0.6
121.02930	0.6
123.00888	5.5
124.01644	0.8
125.02434	1.4
135.00890	12.4
136.01234	0.3
137.02455	3.9
139.00392	1.9
145.02884	0.3
151.00385	0.7
151.03949	0.4
152.01164	14.9
153.01810	0.8
154.02745	1.3
161.04597	0.4
161.09741	0.2
163.03978	0.3
167.03592	0.3
168.00648	1.2
169.01430	1.9
169.05070	2.0
169.06410	0.4
172.58896	0.2
179.05789	0.2
179.10762	0.5
186.35866	0.3
197.06105	1.2
199.07712	0.3
211.02516	0.6
213.05670	1.2
215.07085	1.0
225.05510	0.4
229.05037	0.7
241.05115	0.3
243.06624	100.0
244.06953	4.4
257.17542	0.6
271.04544	0.5
330.41550	0.3
429.10336	1.0
477.31186	0.5
537.15424	5.7
537.32532	0.7
538.16925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44912	1.2
59.01385	11.9
61.98840	1.1
67.01865	1.3
69.03432	2.0
69.08910	1.3
69.28094	2.3
69.28432	12.8
70.62715	1.1
71.01386	9.5
73.02944	1.9
78.29222	1.1
79.01894	2.5
83.01385	1.2
85.02943	1.7
89.02450	2.5
95.01328	3.6
95.67976	1.2
96.95972	2.5
97.02917	2.1
98.19813	2.5
101.02410	5.2
107.01389	19.8
108.05991	1.2
111.00865	2.0
112.65082	1.2
113.02416	2.5
121.10162	1.6
123.00897	27.7
125.02454	69.4
129.80045	1.2
131.21471	1.3
135.11737	4.7
139.00412	7.3
140.01080	3.5
141.01903	2.8
149.02486	7.0
151.00389	17.7
153.01903	1.7
159.08151	1.4
159.11787	3.0
161.04518	1.4
161.09744	11.2
164.04710	1.8
168.00562	3.5
169.01442	100.0
170.01706	2.2
177.12769	2.2
179.10809	21.4
183.03017	1.5
193.01312	3.4
193.12228	3.4
203.10832	11.5
205.08524	1.1
211.02484	12.0
221.11792	5.9
223.09779	17.0
253.03372	1.4
253.85701	1.3
265.10818	2.2
271.04468	2.4
283.09692	1.3
295.11841	6.6
313.05643	10.2
325.12930	23.7
326.12997	2.1
328.13153	1.5
331.06616	2.2
385.15067	34.4
386.15259	3.0
493.17139	46.3
494.17236	3.5
507.19800	3.3
537.15686	58.2
537.32617	1.9
538.16290	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	537.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14387	0.9
55.01877	1.4
55.86626	0.9
57.03464	1.1
58.00597	1.1
59.01387	13.1
61.98829	2.2
67.01885	2.2
69.03448	1.6
69.73932	5.9
71.01389	11.7
73.02959	5.4
79.01875	2.0
83.01367	3.2
85.02938	3.5
87.00909	4.6
87.04507	1.4
89.02469	6.7
91.02503	1.0
95.01395	4.5
96.95549	0.9
96.96019	9.2
97.02958	2.3
98.19901	1.9
101.02455	4.8
102.39745	0.9
105.77357	1.0
106.26733	0.9
107.01413	12.6
111.00878	2.6
113.02473	6.7
119.03458	1.5
123.00900	23.9
123.04447	1.3
124.01622	1.8
125.02456	59.7
135.08167	2.2
135.11832	1.9
136.98717	1.1
139.00389	6.2
140.01186	1.8
141.01912	3.5
143.03523	1.2
151.00400	15.4
153.01878	1.0
159.08131	1.3
159.11688	1.6
161.04585	1.7
161.09747	6.4
167.03493	1.2
168.00621	4.4
169.01439	100.0
170.01743	2.5
175.11261	1.1
177.12872	3.4
179.05592	1.5
179.09586	1.1
179.10802	11.0
183.02971	1.4
183.13896	1.6
193.01483	1.5
193.12283	2.2
195.13855	1.9
203.10745	2.6
205.08687	1.3
211.02487	12.0
212.23726	1.0
213.14960	16.4
221.11801	4.8
223.09767	7.7
227.16371	1.8
253.03421	1.3
255.15939	1.1
265.10794	4.4
271.04498	3.5
295.11688	2.6
311.61191	0.9
313.02719	1.1
313.05673	11.8
323.09747	1.4
325.12946	9.1
331.06653	1.1
341.10880	8.5
375.27765	1.0
385.14987	9.1
493.17160	44.8
494.17432	5.7
530.59686	1.2
537.15936	63.2
537.32477	5.7
538.16144	6.7
564.77350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03438	2.0
59.01384	23.2
60.24502	0.9
61.29551	1.0
61.98831	8.2
68.99753	1.1
69.03423	3.3
70.08996	0.9
71.01391	21.5
72.99292	1.6
73.02923	3.0
75.00854	2.0
79.01913	1.5
80.62709	0.8
81.03477	1.8
81.71604	0.8
81.86906	0.8
83.01360	3.0
83.05010	1.2
85.02972	5.2
85.03373	1.3
89.02454	17.4
93.03410	0.9
95.01347	3.0
96.96009	4.7
97.02917	3.8
98.19894	1.6
99.00851	1.3
99.04488	1.1
101.02454	10.6
107.01398	17.9
108.02179	6.7
109.02904	4.0
111.00847	2.9
111.04488	1.7
113.02475	5.3
113.06036	1.6
119.03504	1.8
121.02936	1.5
121.10181	3.4
122.08969	0.9
123.00889	24.3
124.01617	2.7
125.02453	68.1
126.02695	2.0
131.03532	2.3
133.10172	1.4
135.00816	2.9
135.04492	1.3
135.11821	4.8
137.02412	2.3
139.00407	7.1
139.03946	1.6
140.01048	2.8
141.01868	3.2
142.35802	1.0
143.03445	1.2
149.04459	2.8
149.09637	2.7
150.99385	1.1
151.00383	14.6
152.01170	9.9
153.01949	12.1
159.08057	3.0
159.11702	4.2
161.04485	1.8
161.09738	13.5
165.01906	1.0
167.03378	1.7
168.00661	5.2
169.01442	100.0
169.04973	3.8
170.01729	2.0
175.11186	1.5
177.12804	1.9
179.09393	1.4
179.10782	21.1
193.01309	2.9
193.12241	3.1
203.10808	19.9
211.02490	11.6
221.11876	6.2
223.09781	20.3
224.10081	1.5
233.11703	1.5
243.06470	4.0
251.12866	1.4
253.03516	1.3
254.97745	0.9
265.10727	0.9
271.04608	4.9
295.11841	5.3
313.05371	4.0
325.12952	17.8
326.13123	1.5
327.06931	1.2
331.06467	3.0
340.42010	1.0
356.99866	1.2
368.12769	1.2
385.15048	48.3
386.15155	3.4
419.25974	1.8
429.10519	4.5
493.17148	33.4
494.17215	2.6
536.31268	2.3
537.15771	48.0
537.32306	4.4
538.16016	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	536.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02384	1.0
61.98834	100.0
65.02177	1.0
71.07394	2.4
101.67843	0.9
106.51519	0.9
140.77989	1.0
179.03513	1.3
180.04225	3.8
207.06696	2.1
208.07120	1.3
242.08752	1.3
298.73120	1.1
411.36618	1.4
473.36261	6.4
536.34637	18.1
537.35345	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	537.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52996	0.8
59.01384	4.4
60.99314	16.3
61.98842	0.8
69.60324	1.7
69.60736	4.4
71.01382	3.7
73.02972	1.4
79.57145	0.9
85.02939	1.5
87.00853	0.9
88.98811	100.0
89.02448	2.4
89.99138	1.0
94.13392	0.8
98.20557	1.6
101.02435	3.6
107.01389	2.8
109.02912	1.1
111.00893	1.5
115.22222	0.8
119.03493	1.4
121.02953	2.0
123.00883	3.7
125.02477	8.6
139.00356	1.1
140.01190	1.0
151.00397	9.6
153.09149	1.2
168.00652	2.2
169.01445	12.3
178.99875	4.5
201.40564	0.9
211.02493	4.2
243.03038	2.1
245.04474	1.3
255.03032	8.5
271.02313	17.8
271.04556	2.8
274.01236	1.3
275.01947	9.4
300.02765	42.1
301.03528	28.4
302.03860	1.8
313.05539	2.2
375.27460	1.9
384.58270	0.9
447.09317	72.0
448.09579	4.6
493.17203	1.7
519.18555	4.1
537.12506	2.1
537.19739	27.4
537.32202	5.0
538.19513	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	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75284	0.7
57.03469	0.6
59.01382	8.8
61.98880	2.1
67.70722	0.7
69.03519	1.9
69.46796	2.6
69.47225	2.3
71.01379	6.0
72.99349	0.9
73.02969	1.2
78.09201	0.6
79.85297	0.7
81.03540	0.7
83.01412	0.9
85.03011	2.9
87.00939	1.1
89.02441	3.6
93.03546	0.8
95.01458	3.0
96.96079	1.0
97.02979	1.2
98.20676	1.4
99.00894	0.6
101.02453	5.2
107.01452	2.1
108.02219	3.5
109.02943	3.2
111.00946	1.6
113.02445	3.6
117.05517	0.9
119.03559	1.4
121.02971	1.2
122.67159	0.6
123.00896	5.6
123.04541	4.2
124.01657	3.8
125.02451	83.6
126.02824	2.1
135.04472	0.6
137.02483	1.5
139.00410	2.4
145.02875	0.7
151.00395	1.8
161.04645	1.3
165.05560	1.5
166.99890	2.1
167.03517	2.8
168.00653	8.6
169.01430	100.0
170.01761	2.8
179.10788	2.4
193.05019	1.3
211.02484	3.1
223.09657	0.7
236.12996	0.7
246.77048	0.7
271.04425	2.6
279.06747	0.7
295.49063	0.7
305.08105	1.1
307.09354	0.7
313.02795	0.6
313.05658	6.3
319.09531	0.9
331.06711	3.5
335.08939	1.4
350.11285	2.0
357.26114	1.2
375.27676	5.6
380.12241	0.9
401.10519	0.9
401.15652	3.5
437.57553	0.7
449.17560	0.9
459.13800	2.5
473.15396	1.9
477.23724	3.0
489.14981	1.0
493.17111	13.9
494.16864	1.4
504.17264	2.6
504.23950	0.7
507.20264	5.8
519.20239	33.1
520.19879	2.7
537.15485	38.0
537.32605	10.1
538.15314	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	536.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04860	0.3
59.01392	1.7
61.98839	100.0
71.01381	0.6
79.51093	0.2
89.02469	0.8
92.10077	0.2
96.96040	0.4
123.97660	0.2
139.40419	0.3
183.13947	0.8
201.07593	0.3
214.74901	0.3
239.91962	0.2
263.10602	0.3
275.12003	0.2
297.07462	0.7
298.07419	0.3
312.09644	0.6
313.10086	0.3
314.10181	0.3
336.60666	0.3
380.77496	0.3
411.58002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40800	0.8
59.01378	3.6
61.98835	31.2
67.01910	1.1
69.36169	5.5
69.36586	2.2
71.01382	3.9
73.02952	1.2
85.02961	2.2
89.02470	2.5
93.03470	13.8
95.01426	1.1
97.02934	0.8
101.02448	4.2
107.01405	3.1
108.02187	6.1
109.02952	1.9
111.00877	2.3
113.02487	1.4
123.00100	1.2
123.00901	12.7
124.01618	1.6
125.02456	14.5
136.98828	1.1
137.02452	18.4
139.00386	3.3
140.01183	3.3
151.00386	10.0
152.01160	14.6
153.01915	2.1
163.04080	1.0
168.00645	3.5
169.01453	18.6
190.04413	0.9
193.04953	2.0
194.05504	1.0
202.69406	0.9
211.02620	2.1
233.07350	0.8
240.63872	0.8
243.14699	0.8
271.04565	1.2
313.05826	1.2
363.86771	1.0
375.27222	0.9
399.09348	15.4
419.92560	0.9
473.20291	100.0
474.20682	10.3
536.18549	2.8
536.31598	2.3
537.12573	7.7
537.19751	4.7
537.32483	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	535.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28745	0.7
59.01382	11.7
61.98825	1.5
63.83286	0.7
64.80998	0.6
71.60579	0.9
79.80006	0.6
80.96544	0.7
99.92593	11.8
116.92867	100.0
117.92886	3.6
125.02441	1.0
290.42499	0.8
323.13226	0.6
357.20480	1.3
417.26926	0.8
517.26563	0.7
526.57068	0.7
535.26276	4.3
536.27069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03448	0.8
59.01388	6.7
61.98833	4.9
65.00293	0.5
69.03472	0.4
70.56913	0.3
71.01389	4.9
71.05024	2.6
71.61884	0.6
73.02950	1.5
73.61220	0.3
74.91750	0.4
75.00859	0.4
78.93536	0.3
79.95772	0.5
83.01386	0.9
85.02935	1.8
87.00883	0.9
88.98798	0.4
89.02450	3.0
90.67020	0.4
93.03458	1.0
95.01365	0.8
96.96012	5.3
98.68145	0.4
98.95601	2.4
98.96378	0.3
101.02452	2.4
103.03998	0.6
107.01402	1.6
108.02145	0.4
109.02974	0.6
111.00894	0.7
113.02448	1.5
117.03471	1.1
117.04778	0.7
117.05585	8.8
119.03543	0.5
119.05051	0.4
121.02966	1.3
123.00887	1.6
123.04510	1.0
125.02461	5.6
133.02982	3.3
134.03755	4.4
135.04501	1.9
137.02448	6.4
139.00389	0.8
139.03996	1.8
141.01941	0.4
145.02972	2.7
149.02411	0.7
150.03233	0.6
151.00398	4.3
151.03986	0.6
152.01129	0.8
158.85526	0.4
161.02457	8.7
161.04556	0.8
163.04004	1.0
167.03508	3.1
168.00615	0.7
169.01422	6.3
170.01759	0.5
177.01988	0.4
177.09265	0.6
178.02654	1.7
179.03551	0.8
179.05629	0.5
180.11159	0.4
183.10283	0.7
192.04250	0.5
193.05069	100.0
194.05402	3.5
209.04604	1.9
211.02493	2.0
221.08139	0.4
224.20609	0.4
225.11391	0.4
226.39659	0.4
255.15970	0.4
271.04645	1.7
273.07657	0.4
275.02139	0.4
287.05640	3.2
313.05591	1.5
323.11487	0.4
331.06647	0.6
337.09323	1.2
341.05447	3.3
355.24896	0.4
373.12866	0.7
373.26089	0.8
383.13367	0.9
455.15649	15.1
456.15884	1.5
471.18839	1.1
472.19180	2.2
473.20053	0.7
491.19247	1.0
493.28314	0.5
517.21088	0.7
534.23053	0.5
535.10968	9.9
535.23767	2.8
535.31476	4.7
536.11548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
58.00581	0.6
59.01383	8.2
61.98835	3.2
67.01890	1.0
68.87067	0.4
68.99799	0.6
69.03452	0.5
69.36785	1.0
69.37190	3.1
69.50559	0.5
71.01385	7.6
72.99319	1.5
73.02943	2.1
74.23682	0.4
75.00851	0.8
79.01873	0.8
83.01395	1.5
83.33692	0.5
85.02946	2.7
87.00883	2.0
89.02437	4.5
89.53387	0.5
93.67051	0.4
95.01376	2.0
96.96007	0.8
97.02930	0.8
99.00903	1.1
101.02440	3.8
107.01395	4.8
109.02963	0.7
110.00052	0.6
111.00892	4.5
113.02456	2.4
117.05595	0.7
119.03497	1.8
120.99740	0.5
121.02931	0.6
121.68559	0.5
123.00902	8.7
123.04562	0.5
124.01694	2.2
125.02456	21.1
126.02751	0.7
127.00394	1.5
135.04556	5.1
135.19815	0.5
136.98813	1.7
137.02464	1.4
138.03212	0.8
139.00381	5.2
140.01173	7.6
141.01903	1.0
151.00368	4.2
151.04074	0.7
153.01947	0.8
160.01674	2.2
161.02365	0.5
161.04504	0.7
161.09647	0.5
165.01932	0.7
166.99866	1.4
167.03534	1.0
168.00661	12.8
169.01439	33.2
170.01782	0.9
175.04079	2.4
179.03511	5.5
179.05054	0.6
179.05632	0.5
179.10851	2.3
181.01491	2.8
187.07567	0.5
191.03499	0.6
191.07130	0.7
193.05017	1.6
203.10768	2.7
205.08687	1.8
206.09505	1.0
211.02487	16.4
221.11880	2.2
228.96797	0.5
235.06245	1.0
241.03506	1.8
255.16106	2.3
270.03851	4.5
271.04584	14.1
272.04999	0.8
289.07159	1.4
297.06036	2.6
306.79547	0.5
313.05661	5.7
314.06070	0.6
331.06738	0.6
343.11844	0.6
373.12851	0.5
373.26126	2.5
472.19247	0.8
499.17999	1.2
535.18207	100.0
535.31390	6.1
536.18475	12.6
536.30829	0.6
537.03784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.8
61.98837	100.0
71.01397	2.3
71.05087	0.3
72.99347	0.4
73.02957	1.0
83.01401	0.6
85.02970	1.5
85.59802	0.3
87.00893	0.6
88.98803	0.4
89.02455	1.8
95.01389	0.5
95.05055	0.7
96.96037	1.0
101.02481	1.4
103.04118	0.3
112.48066	0.3
113.02451	0.7
117.03468	3.4
117.05618	1.0
118.03797	0.6
119.03571	0.3
119.05059	2.0
121.03034	0.4
123.00881	0.7
123.04521	2.7
125.02484	1.2
129.58301	0.3
131.03513	0.5
133.03001	1.1
135.04543	0.4
135.11867	0.4
135.36650	0.3
137.02486	0.4
145.02971	14.7
146.03336	1.7
147.03030	0.5
149.02466	1.8
161.02451	2.1
161.04625	0.7
161.06024	0.6
163.04015	2.3
167.03557	1.0
168.00734	0.5
169.01439	1.5
179.10818	1.3
180.11145	0.5
187.04109	0.6
205.05077	0.4
211.02565	0.7
265.07208	0.7
266.07391	0.4
266.64404	0.3
271.04535	0.4
300.99954	0.3
307.08319	2.2
371.24542	0.4
373.26205	0.4
471.12952	3.9
471.18854	0.6
472.13470	0.4
533.30872	0.4
534.24738	1.3
535.24927	1.5
535.32813	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	535.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32234	0.7
54.37807	0.7
59.01397	4.3
60.99314	5.4
62.05405	0.7
66.74313	0.8
69.33463	6.6
71.01385	3.9
71.49281	0.7
73.02956	3.6
79.01921	0.7
85.02978	1.4
88.98816	25.6
89.02471	1.6
95.01377	1.4
97.31907	0.7
101.02453	2.0
103.04007	1.1
107.01392	3.4
113.02445	1.7
116.92918	1.9
123.00889	9.7
125.02464	18.0
131.03514	2.3
139.00388	2.7
140.01125	1.2
141.01927	1.3
151.00386	6.6
151.01477	1.1
168.00633	2.0
169.01434	31.7
170.01776	0.8
211.02487	2.6
230.07245	0.8
252.27089	0.8
271.04584	3.2
300.99814	2.1
313.05685	8.6
387.09406	4.9
399.09232	1.7
422.29327	0.8
445.09875	100.0
446.10355	7.3
489.07431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24355	1.5
59.01386	12.7
61.98834	8.5
69.93487	2.5
69.93908	5.2
71.01383	12.8
72.99307	1.8
73.02943	2.6
74.37694	1.6
75.00880	26.2
83.01418	2.0
85.02948	4.5
87.00881	19.6
88.98807	2.4
89.02440	7.0
95.01384	2.0
96.96012	3.2
98.09409	1.7
99.00908	2.3
101.02447	6.6
107.01402	4.5
111.00919	2.4
113.02425	4.6
115.05527	4.0
116.05043	2.0
119.03473	2.7
123.00863	4.4
125.02444	24.4
130.06654	8.6
132.04565	28.6
133.02972	2.3
137.02437	1.7
139.00366	1.9
144.04573	2.1
149.02377	1.9
151.00354	5.3
153.01952	1.7
158.06116	82.5
159.06419	3.7
161.02501	9.9
168.00623	6.1
169.01437	33.0
174.05608	5.0
176.03546	2.2
176.07123	2.8
177.01894	3.4
189.01955	1.5
191.03558	2.4
197.65988	1.8
201.01965	1.9
202.05098	39.8
203.03621	1.9
203.05293	1.7
211.02469	19.1
212.02708	1.5
219.03125	2.3
220.06163	10.6
228.57680	1.8
229.01210	2.0
237.06178	13.8
239.00085	1.5
247.02126	1.6
249.06178	5.7
257.00916	2.2
271.04581	19.7
275.01950	6.9
300.99893	10.9
302.00504	1.8
303.00742	1.8
313.05688	5.2
331.06763	3.5
357.08307	2.0
382.06519	3.5
382.11435	67.0
383.11627	3.3
389.07614	3.4
397.12311	1.7
401.07581	3.4
438.03983	1.8
490.13214	3.4
534.12531	100.0
535.12909	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	534.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
60.99307	0.8
61.98837	5.3
62.77233	0.8
71.01385	10.1
72.99319	1.1
73.02954	1.6
75.00877	25.9
77.17069	0.8
83.01389	1.3
85.02946	2.4
87.00877	19.8
88.98804	0.9
89.02448	7.0
95.01382	2.1
96.95997	1.4
101.02435	6.2
105.01920	1.4
107.01389	4.0
109.68649	0.8
111.00883	1.1
113.02442	4.1
115.05523	2.9
116.92854	1.4
117.01987	1.3
119.05021	1.1
123.00873	3.9
124.01641	0.9
125.02447	20.9
127.05156	1.6
128.03526	1.4
130.06610	6.3
131.37006	0.8
132.04558	26.5
133.02959	3.6
135.04541	2.3
137.02473	1.2
139.00363	1.6
140.01183	1.3
144.04558	2.3
151.00375	2.9
158.06114	82.8
159.06442	3.7
161.02444	15.8
161.04578	1.0
168.00583	4.5
169.01433	24.7
170.01819	1.5
174.05603	5.5
176.03220	1.0
179.03558	1.6
187.01736	0.9
190.40897	0.9
202.05101	36.2
203.05424	1.7
211.02478	18.8
220.06165	10.4
229.31705	0.9
237.06180	13.8
249.04004	1.0
249.06140	5.7
271.04593	20.5
272.04971	1.3
275.02051	1.5
291.01959	0.9
292.47357	0.9
300.99759	2.5
313.05518	4.5
331.06818	1.9
357.08072	1.9
382.11441	61.4
383.11636	4.5
389.07281	3.4
401.07318	4.3
455.11932	6.1
471.15338	1.5
516.25476	2.4
534.12524	100.0
534.25885	2.6
535.06659	3.6
535.13922	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46543	0.3
59.01382	13.8
61.98805	0.8
69.37186	2.5
71.01352	0.5
80.91717	0.3
88.34828	0.3
89.02432	0.5
96.95963	0.6
101.02416	0.5
106.17068	0.3
113.02441	0.3
117.03477	1.1
119.03490	0.3
119.04964	0.3
134.03745	0.5
135.04547	0.3
149.02408	0.3
165.57657	0.3
171.95569	0.3
175.03964	0.9
177.01889	0.8
225.05836	0.3
239.07268	0.4
246.76073	0.3
253.05092	0.6
267.06555	1.7
268.07379	0.8
295.06125	8.2
296.06897	66.5
297.07251	4.1
309.07675	2.2
311.09259	100.0
312.09570	6.1
318.09042	0.5
324.10083	0.5
325.10907	0.5
333.11475	0.4
353.10446	0.7
364.93356	0.3
473.14703	1.4
533.32788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56482	0.5
57.03450	1.7
59.01385	2.5
67.42406	0.5
71.01395	1.7
71.59583	0.6
73.02950	0.6
75.56066	0.5
83.05029	0.6
85.02962	10.1
85.18063	0.5
87.00885	5.2
93.03458	3.1
101.02449	1.5
101.90545	0.4
109.02946	0.6
110.02475	3.0
111.02831	0.8
111.04506	1.3
127.04026	2.2
128.03517	0.7
129.01976	3.1
143.67635	0.4
146.04630	0.9
147.03009	1.6
148.95006	0.7
158.06197	0.4
169.11171	0.4
171.02985	1.0
173.04533	1.1
190.03600	1.3
191.02151	3.9
191.05635	100.0
192.05981	3.4
277.70987	0.5
375.48285	0.5
522.97913	0.5
529.59473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20749	0.7
50.92138	0.8
55.01871	0.9
57.03437	1.8
58.00579	2.9
59.01377	69.7
69.03453	1.2
69.44574	1.4
69.44983	4.1
71.01382	61.2
72.01729	0.8
72.99297	3.9
73.02952	8.3
77.52530	0.7
81.03450	0.9
83.01379	2.7
85.02943	8.8
86.00106	1.4
87.00874	8.0
89.02442	100.0
90.02761	1.4
95.01401	0.7
97.02949	1.5
98.19785	1.5
99.00866	0.9
101.02439	43.0
111.00924	1.8
113.02424	10.8
118.38699	0.8
119.03483	5.2
122.03745	1.9
123.00880	1.8
124.05315	1.3
125.02444	6.4
131.03499	42.2
139.07634	6.1
143.03517	1.0
149.04550	93.7
150.04886	2.5
161.04584	1.4
168.07930	6.1
169.01451	4.9
179.05484	0.8
191.03764	1.2
191.05603	23.4
191.10773	13.5
191.12390	1.1
192.05800	0.8
194.99327	1.6
201.02010	0.9
203.03577	1.6
209.11989	0.9
211.02547	1.2
217.01169	0.7
221.06789	1.0
221.11774	1.6
245.00819	1.1
248.03235	0.9
249.03888	1.2
271.04642	1.2
275.02026	3.2
276.02240	0.9
293.08868	2.3
300.99911	5.6
311.09991	1.6
312.99442	0.8
401.18497	0.8
418.03754	0.7
453.10229	1.4
457.02435	1.3
503.21207	5.2
533.22577	32.8
534.22546	3.7
553.22858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
59.01389	3.9
61.98837	100.0
62.73804	0.3
71.01397	2.3
73.02966	0.6
77.25089	0.3
79.05583	0.3
85.02973	0.8
87.00872	0.3
89.02453	1.7
95.01474	0.3
96.09558	0.3
96.10275	0.3
96.96055	0.5
99.04554	0.3
101.02453	1.6
113.02490	0.7
117.03500	0.3
117.05627	0.4
119.03563	0.5
119.05088	0.5
125.02489	0.8
128.61621	0.3
131.03516	0.5
145.02991	1.1
149.04636	0.9
161.02487	0.7
163.03984	0.4
165.05569	0.4
169.01491	0.6
173.15082	0.3
179.03531	0.5
211.02420	0.3
271.04706	0.6
275.02682	0.3
281.06848	0.3
282.07114	0.5
371.28333	0.3
401.25699	0.3
469.24265	0.4
532.22791	0.3
532.29285	0.5
533.25830	1.0
533.33539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37413	0.3
55.25201	0.2
59.01382	2.6
61.98834	100.0
71.01406	1.6
71.61370	0.3
72.81107	0.2
73.02966	0.3
77.85948	0.2
80.70609	0.2
83.01438	0.3
85.02970	0.7
89.02463	1.1
93.03501	0.3
96.96060	0.4
101.02449	1.2
101.06073	0.3
113.02487	0.6
119.03570	0.3
119.05028	5.4
120.05376	2.9
125.02473	0.4
133.02998	0.3
136.41682	0.2
137.02499	0.4
139.04062	0.2
145.02980	0.6
147.04573	0.4
149.04556	0.4
161.02486	0.8
161.04594	0.3
163.04019	5.4
164.04350	2.3
165.01987	1.1
169.01530	0.4
341.10437	0.3
371.10815	0.3
371.14725	1.2
401.25729	0.3
416.05283	0.3
533.32556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01382	12.8
61.98829	1.2
67.31980	0.7
69.03450	1.0
69.47722	2.7
69.48123	2.7
71.01389	26.8
71.05036	4.4
72.99310	1.1
73.02946	1.5
83.01360	1.1
85.02954	1.6
87.00850	0.9
88.04037	4.7
89.02448	7.4
94.05867	0.8
95.01408	1.9
99.04504	2.1
101.02445	6.6
105.98878	0.8
107.01372	3.2
113.02463	4.0
116.03538	1.4
116.07169	1.3
116.92865	3.5
119.03495	2.2
119.43989	0.7
119.75112	0.7
120.68381	0.7
123.00914	5.6
125.02453	12.4
128.07210	2.7
139.00343	1.9
143.18239	0.7
146.08247	65.2
147.08618	1.9
151.00366	3.4
154.00630	0.9
161.04509	1.8
165.83437	1.0
168.00655	2.1
169.01448	12.5
182.60048	0.8
187.31023	0.9
191.03450	1.1
200.09343	1.6
201.01993	0.9
201.83740	0.8
205.87357	0.8
211.02451	2.2
218.10315	1.1
229.01334	1.6
243.03093	0.9
247.02634	0.9
249.03990	1.0
263.11374	1.3
271.04709	1.1
274.01178	1.2
275.01935	3.7
290.12488	0.9
300.99771	4.9
308.13492	8.0
313.05576	0.9
362.14642	1.9
380.15628	60.6
381.15891	4.2
392.81360	1.0
394.06570	0.8
415.12579	2.6
416.54117	1.0
446.52835	1.1
460.14734	4.6
461.15091	0.9
514.15808	1.7
515.25757	1.0
532.16730	100.0
533.17230	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	531.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.37739	0.5
60.01731	0.6
61.10030	0.4
61.98848	0.5
107.11621	0.5
116.92844	0.8
140.74156	0.4
142.14079	0.4
237.10934	0.5
243.34935	0.5
285.10498	0.5
317.98584	0.6
385.24402	0.6
411.21970	1.1
413.32120	0.5
425.23123	0.5
467.67035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58471	2.1
57.03446	3.5
59.01384	31.2
61.98521	3.1
61.98831	45.4
69.32767	13.0
69.33195	6.9
71.01385	20.6
71.05020	15.2
72.99306	3.9
73.02950	10.7
79.95747	3.0
85.02966	5.8
87.00867	5.0
87.04481	2.6
89.02445	7.0
95.01369	7.0
96.96017	100.0
97.02980	2.5
97.95915	3.6
98.95597	7.7
99.00899	4.6
101.02428	10.4
103.04005	9.6
107.01418	4.8
109.02932	11.3
111.00872	3.1
113.02438	6.4
116.92855	5.1
117.01947	6.6
117.05580	61.3
118.05914	7.0
119.04984	3.0
120.99644	3.6
121.02964	3.2
123.00874	13.6
123.04517	6.5
124.01662	2.8
125.02452	21.6
126.02808	2.8
133.02985	3.8
135.04533	4.9
137.02438	4.5
138.03172	2.8
139.00404	3.4
139.04041	2.6
145.02972	4.9
147.04559	2.8
149.02393	2.3
151.00381	8.2
151.04025	4.0
157.02934	2.5
159.04507	5.0
161.02472	10.8
163.00348	4.2
163.04021	5.2
164.04735	2.4
165.01854	2.7
168.00633	4.6
169.01443	21.1
170.01694	2.8
173.02451	4.4
175.03989	9.8
177.01889	11.7
177.05559	2.4
178.02278	5.3
179.03496	3.9
179.10742	4.9
183.03011	3.4
185.02545	2.0
185.69244	2.1
189.01904	14.8
190.02515	9.4
191.03442	11.1
193.01381	8.6
200.87839	2.1
201.01921	7.0
203.03500	8.2
209.00957	2.3
215.03441	2.6
216.00581	2.6
217.01344	9.5
218.01869	6.5
219.03011	7.9
220.03265	2.7
227.03505	2.4
228.00549	2.6
229.01399	13.9
230.02080	3.5
231.02957	10.5
232.03503	2.9
243.02905	2.9
245.00960	4.3
247.02431	5.8
248.03264	14.9
249.03966	13.6
257.00790	10.6
258.01620	6.4
259.02393	3.8
261.00311	2.7
271.02167	2.5
272.02911	3.2
273.00397	7.4
273.03784	2.4
274.01208	20.7
275.01950	56.5
276.02304	6.8
282.05142	2.3
283.02429	3.1
287.01953	3.1
288.02682	8.3
291.01666	2.6
298.01169	3.2
299.01868	4.8
299.05377	3.0
299.99246	5.1
300.02713	4.8
300.99866	33.2
301.03317	6.8
302.00421	7.6
302.03815	3.6
306.07535	2.7
312.02502	2.2
314.00687	5.4
315.01489	4.0
317.02942	15.6
327.01410	2.9
341.02753	5.5
341.06644	12.3
342.06943	19.2
345.02347	10.9
346.02676	2.5
359.54196	3.7
365.03284	2.5
372.53134	2.5
373.01544	2.6
381.53992	3.8
383.04160	2.7
404.04056	2.7
409.02704	3.8
421.53552	3.3
430.53973	6.9
431.04196	2.6
434.07993	9.0
437.53107	4.4
439.54745	5.3
446.02707	2.4
446.53491	11.4
447.03705	4.2
447.54276	4.1
452.10739	7.9
452.53296	5.5
453.03619	5.6
461.53967	10.7
462.04263	4.0
462.37238	2.0
469.17239	29.7
474.52844	3.9
483.53845	3.7
531.25208	11.8
532.06403	34.6
532.24438	6.5
533.06506	3.9
533.22717	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	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.7
59.01097	0.5
59.01385	9.5
61.98830	1.7
69.80062	1.2
71.01395	1.4
73.02953	2.4
75.00882	0.5
79.95749	1.1
83.01402	0.3
83.05032	0.3
85.02966	2.6
87.00908	0.5
87.04498	0.6
88.98832	0.3
89.02451	1.0
96.96020	34.9
97.02933	0.3
101.02451	0.8
103.04021	100.0
104.04358	1.5
106.24152	0.3
107.01430	0.3
109.02967	1.4
111.00874	0.3
113.02483	0.9
115.03951	0.4
119.03523	0.3
120.99639	0.4
123.00891	1.1
123.04523	0.5
125.02451	2.5
135.04474	0.3
137.02483	0.3
139.03990	0.4
145.05098	0.8
151.00401	0.7
153.09215	0.7
161.02496	0.4
161.04601	0.6
163.03999	0.4
165.74068	0.3
169.01431	2.5
177.01936	1.0
179.03455	0.5
189.01976	1.2
190.02725	0.4
205.12358	0.3
211.02486	0.5
219.03191	0.4
223.13397	0.5
269.10257	0.3
271.02475	1.1
271.04968	0.4
275.01834	0.5
281.04425	0.3
289.07007	0.3
300.02707	2.4
300.99936	0.6
301.03363	0.6
341.06754	1.7
367.17798	0.5
385.18967	0.4
433.07697	2.3
441.20996	0.5
451.10416	1.0
469.17279	1.3
471.22076	0.6
531.06183	2.4
531.25153	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	531.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12025	0.3
57.03453	2.1
59.01386	6.2
61.98831	5.8
64.09516	0.4
69.45007	3.2
71.01379	2.8
71.05046	0.6
72.99323	0.7
73.02953	1.0
85.02950	2.0
87.00899	0.3
89.02444	1.8
93.03472	0.8
97.06627	0.4
98.19821	0.6
99.00906	0.8
100.70425	0.4
101.02451	1.6
103.04028	0.6
109.06574	0.6
113.02454	1.1
113.42707	0.4
117.03474	29.2
117.05622	1.2
118.03800	0.8
118.06072	0.4
119.05032	14.3
120.05322	0.4
121.03005	0.6
123.04542	0.9
123.08181	0.7
124.01577	0.4
125.02438	0.5
131.03442	0.4
132.05885	0.5
133.06606	1.0
135.04520	0.7
135.08073	0.4
145.02959	100.0
146.03320	3.8
147.02905	0.4
147.08179	0.9
149.05914	0.4
149.09711	0.6
151.11247	0.4
152.08415	0.8
153.09245	0.9
161.02428	0.6
161.04779	0.5
161.06039	2.4
161.09717	0.7
163.04015	20.5
163.11270	0.8
164.04402	0.6
169.01376	0.4
177.05539	0.7
179.03377	0.4
179.10764	3.8
187.11249	1.0
205.05045	2.0
205.12300	5.5
223.13493	0.8
235.06137	1.2
253.05086	1.0
265.07083	2.6
307.08215	14.9
308.08731	0.7
453.16901	0.5
487.19763	10.3
488.20047	1.4
513.13995	0.7
513.21271	7.8
514.21521	1.1
531.22314	40.3
532.22485	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2241
Annotation	Rzedowskin A
Peak:m/z	Relative Intensity
56.88503	0.3
61.98822	0.9
68.31968	0.3
69.59938	0.9
69.60367	1.0
71.01386	2.6
73.02953	0.5
84.59611	0.3
85.02963	0.9
87.00872	0.4
89.02448	1.0
89.03992	0.4
93.03458	0.3
101.02457	1.2
110.83868	0.2
113.02445	0.5
117.03478	28.5
118.03806	0.7
119.05038	14.8
120.05384	0.6
121.02965	0.5
122.02363	0.3
122.03709	0.3
123.04525	0.4
125.02446	0.5
126.19038	0.2
133.02946	0.4
133.06618	1.2
134.03738	0.3
134.47495	0.3
136.05322	0.4
138.06870	0.7
145.02966	100.0
146.03282	3.4
146.08241	0.3
151.07695	0.7
152.08409	0.8
153.09225	1.8
157.06465	0.3
161.06114	2.6
161.09740	0.5
163.04021	24.4
163.11375	0.5
164.04346	0.9
169.01416	0.4
177.05550	0.8
187.04080	0.5
189.05630	0.3
189.72127	0.3
193.05099	0.5
205.05025	2.6
205.12352	2.2
217.04883	0.3
231.90369	0.3
253.05014	1.3
265.07153	1.1
282.95181	0.3
307.08170	1.5
369.09808	0.3
531.22375	60.3
532.22784	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	531.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85554	0.8
52.52631	0.6
57.03451	1.4
58.00588	0.6
59.01093	1.1
59.01382	15.4
61.98806	0.7
70.32858	2.3
71.01384	10.0
72.99305	1.2
73.02939	1.0
76.57423	0.6
83.01397	1.2
83.05019	1.1
85.02946	2.3
87.00874	0.9
89.02444	10.2
92.56370	0.6
95.01402	1.9
96.96017	1.7
97.55927	0.7
101.02447	7.8
107.01389	2.0
111.00928	1.4
111.62252	0.7
113.02432	3.7
119.03521	3.3
123.00928	4.4
125.02451	13.4
135.04521	0.7
137.09723	5.0
138.07750	0.6
139.00389	1.2
140.01154	2.3
151.00371	2.1
155.10788	15.3
161.02422	0.9
168.00688	3.5
168.99979	0.9
169.01427	15.7
173.33073	0.6
175.04019	0.7
181.08687	3.3
181.57335	0.7
190.02644	0.8
193.01401	1.0
199.09755	26.3
199.11597	1.5
211.00438	0.8
211.02461	15.2
217.10835	2.5
227.03455	0.7
229.01448	0.8
248.03220	1.0
249.04099	0.9
271.04617	17.8
274.01343	1.1
275.01944	4.1
300.99960	3.1
302.00305	0.9
313.05832	1.3
331.06830	1.9
379.16116	15.4
380.16370	1.3
390.47116	0.7
452.53156	0.9
474.02692	0.7
506.80499	0.7
513.16095	1.3
531.17188	100.0
532.17560	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	531.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01380	10.9
59.03659	0.7
61.98832	2.4
65.00336	2.0
68.99831	2.1
69.52829	6.0
71.01376	2.0
72.99306	2.9
75.00874	26.9
81.03437	1.8
87.00889	0.8
89.02440	2.7
95.01345	1.2
107.01387	1.3
108.02141	0.9
109.02953	1.9
117.01968	1.1
123.04510	1.0
125.02486	1.6
134.03741	0.9
135.00883	2.7
135.03006	49.6
136.01642	3.1
136.03331	1.0
137.02431	4.6
141.81996	0.9
148.01639	1.0
149.02438	1.3
151.00339	1.0
152.01157	1.6
153.01935	0.8
161.02347	0.8
163.00365	7.3
164.01154	3.7
165.01918	1.7
176.01129	4.3
177.01817	1.8
178.99843	1.0
189.01949	2.8
189.99075	3.1
190.02672	1.6
190.99835	3.9
191.03432	1.7
192.00636	9.7
192.75592	0.8
193.01401	1.0
196.89549	1.0
204.87598	0.8
205.01482	1.6
215.90540	0.8
218.02295	1.8
218.05769	1.6
246.05292	0.9
273.18713	2.0
357.20734	3.4
367.19186	19.9
369.20679	2.2
381.20859	0.9
383.18622	27.7
383.23264	1.9
384.19043	3.2
385.20224	14.2
385.24808	1.7
386.20520	1.4
395.18634	100.0
396.18988	10.7
397.20334	4.0
409.20120	2.9
411.18082	3.7
413.19699	14.9
414.20041	1.7
415.20724	0.9
423.21964	1.1
425.19537	1.5
439.21283	2.2
441.19067	6.3
469.22296	1.6
485.21237	0.9
487.23492	2.1
531.22845	1.2
531.30042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75442	1.0
55.01884	1.2
57.03459	2.6
59.01384	17.1
61.14999	1.0
61.98833	61.3
62.00592	1.0
63.97649	0.9
69.03460	2.1
69.51410	7.9
70.59293	0.9
71.01392	9.8
72.99314	1.9
73.02953	3.1
74.64426	1.0
75.00887	4.2
79.01894	1.3
81.03490	1.6
83.01405	1.4
85.02511	1.1
85.02946	5.2
87.00887	2.1
89.02457	9.1
95.01458	1.2
95.05013	1.4
95.43699	1.0
96.96034	1.1
97.02985	2.3
99.00896	1.6
101.02450	7.0
101.06078	1.8
107.01381	6.6
111.00893	1.7
113.02468	3.1
117.05616	1.1
119.05035	7.6
121.06522	1.1
121.17632	1.1
123.00905	7.7
125.02457	46.3
126.02823	1.6
129.01932	1.7
131.03523	3.5
135.04518	1.8
136.98889	1.3
138.14644	1.0
139.00378	2.7
140.01152	1.9
141.01923	1.1
145.02939	1.1
149.04575	3.8
151.00409	6.1
151.07626	1.4
153.05571	2.3
159.03030	2.1
161.02402	1.7
161.04555	1.3
163.04077	7.0
168.00682	2.4
169.01434	54.0
170.01814	2.5
177.04053	23.5
177.05539	2.1
179.03468	1.3
179.10822	3.2
180.11099	2.5
191.05534	1.4
205.12337	1.9
206.12846	1.5
211.02457	2.6
221.06841	1.1
271.04590	1.4
329.05124	5.3
352.03235	1.1
467.18756	100.0
468.19052	8.5
486.34772	1.6
530.27142	5.6
531.28241	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	529.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.6
60.02795	0.3
61.98827	0.7
79.45067	0.3
80.15495	0.3
96.96017	1.8
98.20660	0.6
112.98616	0.3
121.27625	0.4
125.02454	0.9
137.02455	0.3
139.04068	0.8
153.05579	0.4
179.41148	0.3
183.57811	0.3
217.34845	0.3
352.72714	0.3
375.32687	0.3
409.31250	0.6
439.32251	1.1
469.33362	4.6
470.33591	0.6
471.35245	0.4
529.35388	100.0
530.35748	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	530.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51661	0.9
59.01391	1.3
61.98837	6.6
65.91550	0.9
71.01385	2.3
71.60233	1.0
78.70289	0.9
85.02954	1.9
91.16645	1.0
95.01388	2.1
96.96017	4.8
101.02472	1.2
107.01391	4.2
123.00911	6.9
123.04520	32.3
124.01682	1.1
125.02451	30.9
126.02844	1.0
136.98886	1.1
139.00383	1.8
140.01260	1.2
151.00378	4.3
151.04062	1.0
153.05576	44.3
154.05913	1.4
168.00688	2.5
169.01428	48.1
170.01726	1.7
176.66534	1.0
211.02589	1.1
218.86925	0.8
229.01331	0.9
241.13268	1.0
275.01944	2.5
299.78497	1.2
300.99911	3.9
302.00137	1.2
313.05634	21.2
339.80179	0.9
385.19144	0.9
391.02966	1.2
391.53223	1.6
467.11914	100.0
468.12335	9.4
530.15607	1.2
531.17090	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	529.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.00592	1.0
59.01384	100.0
61.61943	0.9
61.98830	13.6
69.03477	1.0
71.01388	13.9
71.05022	7.2
73.02959	3.7
74.54400	0.8
81.03465	1.1
83.01373	2.0
83.05058	1.0
83.50238	1.0
85.02956	3.4
87.00903	2.4
87.04527	1.6
89.02453	10.7
96.96015	1.2
97.06594	1.2
99.00892	2.6
99.04530	4.3
101.02437	12.6
101.06091	86.9
111.04533	1.2
111.77993	1.0
113.02475	5.7
113.06075	1.8
115.07658	22.4
117.05585	44.0
119.03541	2.4
123.00874	1.5
125.02466	6.3
125.09721	1.9
131.03561	1.6
135.04552	1.2
138.06868	2.4
139.07671	1.0
143.03546	1.3
143.07153	5.3
149.04588	3.0
151.00446	1.2
151.07661	2.7
152.08470	3.2
153.09219	13.4
156.25529	1.0
161.04590	2.7
161.09737	3.1
169.01422	3.1
169.05089	1.0
173.65860	0.9
179.10797	1.9
187.11270	1.7
203.09221	2.6
203.10902	1.5
205.12328	5.9
223.13397	5.0
230.84785	1.2
245.58911	1.0
267.12305	1.9
279.10815	12.8
307.19101	3.1
323.13455	1.5
367.17627	8.1
369.15533	1.8
429.17813	2.2
466.17917	1.5
467.22772	6.8
469.24570	7.0
485.23956	1.1
485.35297	1.1
529.22449	25.9
530.23047	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.34568	0.3
57.03434	0.6
59.01099	0.6
59.01383	10.0
61.98817	0.9
69.03440	0.6
70.35274	1.2
70.35606	0.4
71.01392	6.7
72.99333	0.5
73.02961	0.6
83.01409	0.7
85.02956	1.7
87.00911	0.5
89.02455	8.1
101.02448	7.0
109.86530	0.4
111.08150	0.7
113.02454	3.9
113.09744	0.5
119.03493	1.5
121.71231	0.4
125.02502	0.7
127.40341	0.5
131.03525	0.8
141.09207	0.4
141.46953	0.4
143.03448	0.6
149.04590	0.7
151.59956	0.4
161.04567	3.6
179.05612	1.2
179.10770	0.4
179.14484	0.6
195.13914	9.1
196.14400	0.9
199.72234	0.4
205.12395	0.6
211.13309	0.5
223.13425	5.7
228.13667	0.7
231.21207	0.8
235.17053	3.0
253.09302	30.8
253.31357	0.4
254.09622	1.3
256.13211	1.2
265.21744	0.6
275.20172	5.3
293.08792	1.0
293.21246	100.0
294.21555	7.2
416.96240	0.4
451.49884	0.4
492.22083	0.8
529.30048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98825	2.7
63.11381	0.8
79.78291	0.8
85.02189	0.7
85.02929	0.9
88.82651	0.7
96.96020	1.5
98.20639	2.3
106.03815	1.0
110.88683	0.8
125.02434	2.5
127.04025	0.9
153.05560	1.1
202.14253	0.8
205.04843	1.0
221.13893	0.8
229.60851	0.9
251.15077	0.9
300.35306	0.8
327.09686	1.0
457.85257	0.8
469.33035	1.0
529.28430	1.5
529.35284	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	529.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81177	0.7
57.03463	0.8
57.35249	0.7
59.01384	100.0
61.98835	1.8
71.05017	1.0
71.60856	1.2
73.34806	0.8
73.52732	0.7
75.00891	5.5
81.03453	0.9
82.95400	1.2
92.01132	0.8
96.96044	1.4
123.04555	0.9
125.02473	3.3
135.03027	5.4
150.58734	0.7
153.05554	3.1
164.81296	0.9
192.00700	1.6
293.21472	0.9
381.17316	2.1
393.17136	5.4
406.67520	0.8
411.17993	1.1
445.26196	2.6
453.33740	6.1
475.91992	0.8
529.28149	5.7
529.35510	34.0
530.35742	5.0
535.71887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63982	0.8
59.01381	1.8
61.98848	1.4
65.00343	1.4
66.15951	0.8
69.52842	5.9
72.99311	3.4
75.00918	0.9
83.01405	1.6
85.49802	1.0
85.51333	0.8
86.96352	0.8
93.03468	1.3
95.90093	0.8
99.92567	1.4
103.20548	0.9
105.01950	33.8
106.02267	1.0
107.01378	1.5
109.02972	2.4
114.82249	1.0
115.56445	0.9
116.92867	9.7
121.02947	1.4
135.00937	3.2
136.01674	1.9
137.02448	6.5
148.01732	1.0
151.03935	1.1
154.04727	0.9
163.00385	9.0
164.01172	1.2
165.01892	1.0
176.01146	3.5
177.01851	1.1
189.01913	2.0
189.99129	1.4
190.99875	3.0
192.00624	2.2
201.18341	0.9
217.01364	1.0
218.02159	2.0
232.32600	0.8
301.21817	1.6
385.24063	2.1
395.22321	21.5
396.22516	2.5
397.23877	3.8
409.23737	2.1
411.21353	5.4
411.26318	1.0
413.23309	5.5
423.21777	100.0
424.22131	12.7
425.23352	1.7
437.23288	5.4
441.22525	7.1
466.10132	1.1
467.24585	4.8
469.13364	2.0
483.23856	1.3
485.25452	2.9
529.31403	2.7
540.38031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01388	11.3
61.98834	14.9
64.51802	1.0
71.01395	9.8
71.60936	2.2
73.02947	3.4
83.01403	1.8
85.02971	3.2
87.00885	1.7
89.02463	3.4
90.18877	1.4
95.01379	1.4
96.96030	5.3
97.02979	2.1
101.02463	2.9
104.75220	1.1
107.01404	6.9
111.00862	3.0
113.02450	3.0
113.06120	1.2
117.05614	1.3
122.03743	11.1
123.00908	9.9
125.02460	37.9
126.02789	2.2
128.20779	1.1
138.09143	1.3
139.00391	3.0
140.01158	2.9
141.01952	1.8
144.07761	1.3
145.03009	1.3
151.00421	10.1
152.03542	96.3
153.03932	2.3
161.97334	1.4
161.98557	1.2
168.00610	3.7
168.99969	3.0
169.01439	61.6
170.01740	3.2
176.03488	1.3
211.02509	3.9
241.03677	1.7
271.04474	2.5
305.31482	1.3
313.05661	57.4
314.05911	2.7
466.09909	100.0
467.10010	10.6
470.20120	1.4
528.24371	23.1
529.24634	18.8
530.24231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31976	0.5
55.01883	0.6
59.01393	2.7
59.80888	0.4
61.16945	0.4
61.98831	2.0
65.79812	0.5
67.01899	1.1
69.03457	0.8
69.35499	1.9
69.35924	2.5
71.01390	5.0
72.99313	0.5
73.02953	1.4
79.01881	1.1
83.01379	1.1
85.02946	1.7
87.00880	1.1
87.04516	4.6
89.02464	0.8
95.01383	2.0
97.02952	1.0
99.00875	0.7
101.02448	3.1
102.84751	0.4
107.01394	3.7
111.00911	2.2
113.02494	1.3
114.77911	0.4
123.00898	16.7
125.02460	16.0
126.02785	0.7
127.00411	0.6
135.04509	1.0
136.98787	1.2
138.34451	0.5
139.00391	6.1
140.01212	2.9
141.01939	1.8
151.00380	12.8
153.01965	0.8
154.99895	0.6
161.04630	0.7
163.04106	0.5
166.67603	0.5
168.00664	2.7
169.01443	20.7
170.01707	0.8
181.05023	0.5
279.82333	0.5
313.05551	1.5
403.67630	0.5
459.18820	0.6
529.22900	100.0
530.23248	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	529.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50913	0.8
59.01382	2.8
61.84201	0.9
61.98827	4.1
65.00332	6.2
69.37273	6.5
69.37666	1.4
71.01379	2.3
72.83511	0.7
80.57784	0.8
80.96489	1.2
83.01376	4.0
85.02964	1.2
87.17899	0.8
95.01373	1.1
95.26909	0.7
96.96031	5.0
101.02469	1.7
107.01397	16.1
109.02969	2.6
109.33540	0.7
111.00903	1.3
113.02477	0.9
117.05568	0.9
121.02868	1.0
123.00877	3.5
125.02457	15.7
126.02842	0.8
134.03752	1.4
135.04538	84.2
136.04881	3.5
137.02467	1.4
139.00374	3.0
141.01799	0.8
149.02480	1.8
151.00385	100.0
152.00749	3.3
161.02464	2.3
163.04019	1.0
165.01958	1.5
165.27876	0.7
169.01454	17.6
169.02806	0.7
175.00386	6.6
185.18138	0.9
187.00301	0.8
193.01421	4.5
194.15147	0.8
201.02072	1.0
203.03587	1.1
211.02499	1.1
215.00156	4.5
217.01349	1.5
223.02527	1.1
225.00604	1.0
228.12515	0.9
229.01312	1.1
241.00354	2.5
241.38362	0.9
274.01071	0.9
275.01974	2.6
287.05624	49.5
288.05917	2.4
300.99814	4.5
302.00330	2.0
311.05756	1.0
313.05655	10.6
329.06763	3.0
364.01279	0.9
367.01273	10.2
377.05420	3.3
409.02570	0.9
438.02872	1.0
449.05341	1.4
449.10895	11.7
457.02972	0.8
466.03009	1.5
466.09332	1.7
466.53180	5.8
467.03299	2.8
467.15567	4.6
485.16641	1.3
529.06598	86.1
529.18256	6.2
530.06781	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	528.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	87.5
70.71034	2.4
70.71404	2.2
71.05023	3.8
85.02958	2.8
90.12753	1.1
95.05015	2.5
97.02951	2.9
139.04021	54.8
165.01888	3.0
166.02721	6.4
180.04253	3.3
193.05080	4.4
234.15753	1.4
249.11406	2.8
261.18536	2.0
267.34793	1.2
305.17563	2.3
465.24921	100.0
466.25223	11.0
485.50522	1.2
552.87390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01377	3.0
61.98838	10.3
64.22710	0.9
65.27100	1.0
69.46494	5.7
69.46918	2.3
71.01396	4.0
73.02946	1.2
73.24303	1.0
74.99095	1.1
75.00876	2.4
79.95737	2.8
80.96509	1.7
83.01405	1.5
85.02963	1.7
87.00893	1.1
95.01373	2.1
96.96030	5.4
97.02954	1.4
98.19908	1.7
99.04546	1.5
101.02450	2.9
107.01394	8.3
111.00881	1.5
113.02502	1.3
123.00896	6.4
124.01669	1.7
125.02445	36.8
134.03737	1.7
135.04526	100.0
136.04845	3.0
139.00374	3.8
139.04051	1.3
140.01164	3.1
151.00371	8.0
151.03976	1.3
161.02461	1.5
163.53180	1.0
165.24449	1.1
167.03523	1.0
168.00652	4.6
169.01419	58.3
170.01807	2.1
175.82269	1.0
177.01961	1.1
183.02956	1.8
190.46436	0.9
191.90620	1.1
205.01456	1.5
211.02475	1.3
234.46854	1.1
241.00256	6.9
241.03467	1.4
243.06686	1.4
271.04645	1.4
297.09799	1.1
313.05661	30.1
314.05969	2.5
321.44901	1.2
359.03683	1.0
377.00882	2.1
377.05386	18.7
377.09711	1.7
378.05835	1.1
393.01282	3.0
449.10883	50.5
450.11386	5.8
485.17636	1.5
529.06610	60.2
529.17755	13.8
530.06757	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	527.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60950	1.1
53.90107	1.1
54.71273	1.1
57.03450	3.2
59.01380	4.6
61.98838	7.2
63.33018	1.1
67.17321	1.1
71.01388	4.0
71.05026	4.0
71.60849	2.1
72.02169	7.1
79.10577	1.1
81.03461	4.1
83.01400	2.0
85.02921	1.3
85.06602	4.3
87.30476	1.1
95.05039	1.2
96.95987	1.5
97.06602	4.9
99.04570	1.8
113.06081	3.1
113.09734	1.6
121.06610	1.8
123.08184	17.7
125.02475	12.6
133.99750	1.2
139.04045	1.4
141.09232	55.2
142.09546	1.8
153.05643	5.2
180.04221	1.3
197.19125	3.6
225.18616	4.6
297.24374	3.7
395.31790	2.3
411.34769	5.5
421.33249	2.0
439.34375	100.0
440.34717	10.2
464.27527	1.3
465.32257	4.7
483.27100	2.6
483.33524	3.2
527.26416	33.4
528.27063	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	528.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03456	1.1
51.79414	1.4
55.35786	1.2
59.01383	4.9
61.43403	1.2
61.98851	6.4
69.64441	6.6
71.01380	2.9
80.02509	1.0
83.01376	1.1
87.00901	1.6
88.40170	1.0
89.02452	4.5
95.01387	3.3
96.96011	7.4
97.02969	1.3
98.20516	1.6
101.02444	4.8
107.01388	3.6
111.00802	1.3
113.02410	1.7
113.11166	1.0
119.04977	1.2
123.00897	11.5
125.02454	21.6
126.02805	1.4
137.02463	1.0
139.00377	3.8
141.01924	1.6
145.33171	1.1
151.00363	5.1
153.01915	1.1
161.02441	1.3
163.04021	1.5
165.01889	1.2
168.00662	4.3
168.99988	1.6
169.01433	32.7
170.01782	1.7
203.03490	1.3
211.02480	16.1
229.01488	1.9
231.02991	3.1
233.00652	1.2
249.04074	4.3
271.04633	25.2
275.01956	4.0
276.02374	2.1
300.99921	9.3
302.00125	2.6
313.05707	4.0
331.06711	5.1
430.09677	1.5
465.12479	100.0
466.12750	9.1
528.14478	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	528.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63219	1.3
59.01388	3.1
61.98834	85.4
69.03448	1.8
71.05038	2.2
72.52175	1.4
72.99918	1.3
74.47266	1.3
74.47726	1.5
85.02996	1.9
89.02440	3.0
95.05032	4.2
97.02969	2.6
139.04021	52.9
140.04308	1.8
158.77315	1.5
166.02710	4.9
176.94592	1.4
180.04291	1.6
184.00818	1.4
193.05103	3.4
234.16020	1.5
305.17654	1.7
395.18033	1.6
465.24979	100.0
466.25302	11.7
480.57153	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	527.2651
Annotation	fijianolide D
Peak:m/z	Relative Intensity
57.03439	3.4
59.01374	3.9
61.98834	3.5
69.46511	3.4
69.46930	6.1
79.01911	3.2
85.02952	13.9
85.06593	5.9
87.00893	4.4
90.92555	1.2
97.02965	2.8
109.06600	5.2
111.04538	5.6
115.92138	1.5
125.02474	9.3
139.03996	3.8
153.05583	37.5
154.05936	1.7
166.02658	1.3
167.03442	2.3
179.03561	4.3
180.04285	3.6
187.90469	1.4
191.14310	1.5
207.06680	1.9
222.50171	1.4
345.24286	6.1
385.23914	3.8
395.29565	3.2
435.10059	1.7
445.25986	22.6
446.26321	2.5
483.27557	100.0
484.27780	14.4
515.17120	1.4
527.25824	16.0
527.34045	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	527.2654
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
50.78209	0.7
51.86790	0.8
57.03439	1.6
59.01379	2.1
61.98822	1.7
67.62295	0.7
69.52560	5.3
71.05032	3.9
72.37685	0.6
72.70219	0.7
72.92471	0.7
79.79671	0.7
83.05027	2.2
85.02961	1.4
85.06598	5.3
97.02956	1.0
99.04537	3.0
107.05027	1.5
109.02950	4.0
111.04518	2.4
113.02458	1.2
116.92850	2.7
123.04518	3.5
123.08096	0.8
124.01713	0.9
125.02451	1.9
125.06062	2.5
127.04012	5.6
137.02432	1.8
139.03961	1.7
151.04019	5.5
152.04778	2.0
153.01903	1.2
153.05574	2.7
163.45963	0.8
164.04799	1.7
167.03510	2.2
169.05121	1.4
177.02025	1.0
177.05583	0.8
178.02721	3.3
178.06459	0.8
179.03574	0.9
188.39574	0.8
191.03540	0.8
192.04428	0.8
193.08786	0.8
205.05011	1.5
206.09479	0.8
291.19788	0.8
353.21500	0.9
355.19150	1.0
397.19934	1.1
411.21298	1.2
427.24915	1.2
465.26849	0.9
471.23743	3.4
483.27615	1.1
485.25162	1.4
509.25470	11.8
510.25806	1.1
527.26532	100.0
528.26770	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85767	0.3
55.01886	0.4
57.02388	0.3
57.03442	1.0
59.01095	0.5
59.01382	8.7
59.83701	0.3
61.77270	0.3
61.98831	3.5
69.03447	0.5
69.42712	2.8
71.01391	3.8
73.02964	1.0
83.05030	0.9
85.02955	0.9
87.00893	0.8
89.02450	3.6
91.04062	0.3
95.01422	0.3
95.05002	1.1
101.02449	4.2
103.14890	0.3
109.06582	0.9
111.08171	7.3
113.02436	1.5
113.09739	0.5
119.03500	1.0
123.08168	0.4
125.02460	1.3
125.09705	0.4
134.71022	0.3
137.09734	0.4
139.04016	0.9
141.09192	0.3
143.03485	0.4
153.05540	0.4
161.04561	1.7
165.12848	0.4
167.10793	2.2
176.83186	0.3
177.12863	1.5
179.10796	1.7
179.14423	0.4
195.13898	4.9
209.11729	0.5
225.10542	0.4
233.15443	0.3
235.08269	0.5
247.20721	1.6
253.09297	14.8
273.18604	1.4
291.19666	100.0
292.20007	7.0
306.27332	0.4
370.43771	0.4
384.60620	0.4
464.24048	0.6
527.28003	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	527.2653
Annotation	fijianolide D
Peak:m/z	Relative Intensity
54.81494	0.5
57.03452	4.5
59.01383	1.3
61.98829	2.5
65.00330	1.0
69.03457	0.7
71.01393	0.6
71.60467	0.6
71.60841	0.6
73.02956	0.5
81.03462	6.0
83.01382	2.7
85.06613	1.5
95.01373	3.9
99.04607	0.5
107.01389	0.6
109.06568	1.6
111.00867	0.6
121.06588	1.4
122.03780	0.8
123.00871	1.9
124.01686	3.4
125.02454	45.7
126.02769	1.0
135.04576	0.6
135.08168	2.2
139.04018	0.7
151.00400	3.5
152.01195	3.6
153.05585	9.8
163.11269	1.0
166.02718	4.3
171.08160	1.2
173.09685	1.2
179.03517	5.5
180.04256	1.1
191.10805	3.8
193.05026	1.0
205.15991	0.7
207.06665	1.0
221.08156	1.3
235.09723	3.3
236.10564	1.0
247.17079	4.0
247.51877	0.5
289.14438	0.7
291.15970	2.0
291.19180	0.7
483.27563	4.4
527.26508	100.0
528.26886	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	527.2656
Annotation	Ardisiaquinone A
Peak:m/z	Relative Intensity
57.03451	3.9
59.01386	2.8
60.00648	0.4
60.47285	0.4
61.98832	2.6
62.44496	0.4
65.00320	0.9
71.05016	0.4
81.03458	6.7
83.01405	2.3
83.05064	0.6
85.02959	0.5
85.06593	1.3
95.01394	4.5
95.05013	0.7
107.01406	0.4
109.06613	1.2
111.00859	0.8
111.04478	0.7
117.48315	0.4
121.06586	1.7
122.03732	1.1
123.00887	2.6
123.04554	0.9
124.01686	3.8
125.02452	44.2
126.02797	1.1
135.04536	0.6
135.08144	2.4
137.02510	0.6
139.00426	0.5
147.08168	0.7
151.00381	3.2
152.01201	2.6
153.05579	5.6
163.11317	1.2
165.01881	0.6
165.83191	0.4
166.02713	4.6
171.08232	0.8
173.09700	1.1
175.07669	0.7
179.03526	5.8
180.04256	1.2
191.10760	3.6
192.53159	0.5
193.05081	1.8
194.05649	0.5
204.04147	0.5
205.16092	0.6
207.06613	1.0
207.13971	0.9
221.08179	1.6
235.09816	3.2
247.17067	3.7
259.17029	0.5
290.15366	0.7
291.16006	3.0
464.27286	0.6
465.28159	0.8
483.27426	2.5
484.27945	0.4
527.26532	100.0
527.33435	5.7
528.26837	14.8
528.33820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
57.03455	0.7
59.01382	9.6
60.01736	0.5
61.98834	8.1
66.88483	0.6
67.01890	1.4
68.99827	0.5
69.03444	0.9
71.01385	5.8
71.05006	0.7
72.99310	0.8
73.02937	2.1
74.82489	0.5
75.00880	0.6
79.01887	1.4
83.01380	1.5
83.05036	0.5
85.02960	3.3
86.00069	0.5
87.00883	1.3
89.02446	1.7
93.43164	0.6
95.01405	2.4
95.01917	0.5
96.96001	1.5
97.02943	1.2
98.20643	1.0
99.04539	1.1
101.02444	4.8
107.01395	3.8
109.02953	1.2
110.00076	0.5
111.00893	3.1
113.02438	2.2
115.04034	0.7
117.05561	1.6
118.36671	0.5
123.00889	16.6
123.04504	1.4
124.01656	1.5
125.02454	16.4
125.06035	0.7
127.00314	0.8
133.05078	0.7
136.98837	1.9
137.02354	0.6
137.06041	1.1
139.00386	4.9
139.04016	0.6
140.01115	3.6
141.01967	2.6
145.02922	0.7
151.00375	10.3
151.07664	0.8
152.01120	0.5
153.01917	1.7
161.02484	0.7
161.04648	0.9
162.70100	0.5
163.04048	0.5
168.00664	4.2
169.01427	18.8
179.10762	0.8
187.11223	0.6
191.03320	0.7
205.12303	0.7
211.02548	0.8
213.14932	1.3
221.81265	0.5
241.74045	0.5
263.12875	0.6
271.04596	1.1
295.10312	0.9
313.05487	1.0
375.20306	4.3
483.21783	1.4
483.33618	0.8
509.19934	1.8
527.21289	100.0
528.21680	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	527.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.35629	0.1
59.01385	3.5
61.98833	2.5
65.00347	0.2
67.01903	1.2
68.99830	0.3
69.03474	0.6
71.01390	3.1
72.99316	0.5
73.02941	1.2
78.01086	0.2
79.01900	1.3
81.03478	0.3
83.01398	1.0
85.02955	1.8
86.00121	0.2
87.00896	0.5
89.02461	0.6
93.03482	0.3
95.01391	2.1
95.05060	0.2
96.96023	0.4
96.99347	0.2
97.02936	0.9
99.00896	0.5
99.04517	0.6
100.75027	0.1
101.02464	2.1
106.00726	0.1
107.01393	4.0
107.05047	0.2
108.02190	0.4
109.02963	0.5
110.00118	0.6
111.00895	2.6
111.04552	0.1
113.02460	1.2
116.92927	0.2
117.05558	0.2
119.05053	0.3
123.00898	17.5
123.04518	0.3
124.01678	0.6
125.02458	16.9
126.02796	0.3
127.00407	1.0
135.04575	0.2
136.98836	1.6
137.02484	0.5
137.06056	0.2
138.03242	0.1
139.00388	5.8
140.01175	3.7
141.01978	2.1
151.00386	11.4
151.03976	0.3
151.07620	0.2
152.01103	0.7
153.01932	1.0
153.05626	0.2
154.99850	0.3
161.04572	0.2
163.04045	0.5
165.01950	0.2
165.05569	0.4
167.03522	0.2
168.00655	3.5
168.01974	0.3
169.01437	19.8
170.01791	0.6
175.03992	0.2
179.03519	0.4
181.05087	0.4
191.03502	0.3
193.05046	0.4
196.07004	0.2
205.12309	0.3
209.04604	0.2
211.02507	0.5
223.02409	0.2
229.14905	0.2
294.60138	0.1
301.10794	0.4
302.11264	0.7
313.05731	0.9
417.10547	0.3
430.26514	0.2
472.87439	0.2
478.31506	0.2
483.22046	0.4
527.21375	100.0
528.21686	10.9
550.30670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57368	0.5
57.03446	0.7
58.00571	0.5
59.01105	0.9
59.01386	15.1
61.98832	3.3
67.01873	0.9
68.99813	0.4
71.01387	10.0
71.57334	0.4
72.99297	0.8
73.02946	1.0
79.01891	0.9
83.01387	1.4
85.02956	2.9
87.00890	0.5
89.02445	9.0
95.01400	2.9
96.96005	1.2
97.02947	1.0
98.19843	0.9
99.00869	0.7
101.02442	8.9
107.01392	3.9
111.00867	1.3
113.02452	3.5
119.03508	3.6
121.86243	0.4
123.00896	13.2
123.04495	1.0
124.01635	0.8
125.02453	15.7
127.00417	0.4
136.98801	1.5
139.00388	4.1
140.01195	2.1
141.01924	1.8
151.00383	9.7
158.03987	0.4
168.00700	2.6
169.01440	13.3
183.13966	0.4
195.13902	6.2
211.02478	2.7
213.14935	3.3
271.04578	1.7
295.10284	0.8
313.05640	1.0
357.19037	0.6
375.20233	25.9
376.20529	2.2
445.29535	0.4
483.33347	0.8
509.20135	2.4
527.21313	100.0
528.21655	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	527.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04708	1.0
57.03471	1.2
57.47716	1.1
59.01385	3.5
60.09655	1.3
61.55183	1.1
61.98828	2.5
63.96227	1.0
66.91171	1.4
69.03450	2.1
69.72241	6.9
71.01392	8.4
73.02946	2.3
74.99104	2.2
78.98599	3.6
79.95743	9.6
80.96523	47.4
85.02964	3.5
87.00912	2.8
89.02445	2.7
92.36564	1.0
92.57839	1.3
93.54853	1.1
94.98099	11.6
96.96014	25.5
97.02982	2.3
101.02467	3.2
104.32281	1.1
106.98119	3.5
107.01438	1.2
113.02426	2.1
117.05585	5.1
119.05024	2.4
120.99664	2.6
122.97585	4.5
123.00826	1.2
125.02427	8.3
127.04056	1.6
134.97552	3.2
136.99162	6.6
138.97054	1.6
148.99138	3.8
150.03328	1.1
151.00436	1.9
152.98630	5.1
164.98674	9.7
169.01418	4.5
174.01755	1.3
182.99738	1.5
206.99701	3.8
209.11823	4.4
225.00752	41.9
243.01817	1.6
279.82501	1.3
299.04755	2.6
300.99918	21.7
370.78851	1.2
375.11887	2.0
377.49353	1.1
397.50195	1.3
447.05658	2.1
465.10571	2.5
484.81412	1.7
527.18036	100.0
528.18433	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99005	0.7
54.03180	0.6
59.01376	5.0
61.88127	0.8
61.98813	2.3
63.96212	1.4
69.03447	1.3
71.01386	8.6
73.02931	1.5
78.98586	4.1
79.95735	7.5
80.96521	53.4
81.03449	0.9
83.01344	1.2
85.02927	3.3
87.00854	2.7
89.02426	1.4
92.07148	0.9
94.98088	11.8
95.01349	0.9
96.95979	3.3
97.02907	2.9
99.04485	1.2
101.02431	3.5
106.98048	2.6
113.02405	1.9
119.04933	0.7
122.97585	4.9
123.00897	1.5
124.01633	1.6
125.02473	7.3
127.03959	1.5
134.97577	4.0
135.04472	2.7
136.99042	1.6
139.00311	0.9
139.03897	0.8
148.99167	4.5
151.00365	1.2
152.98621	7.0
153.01881	1.6
161.04451	0.8
164.98616	10.3
165.12807	1.3
168.00539	0.9
169.01445	5.7
179.03455	1.1
181.38499	0.8
182.99599	2.3
183.13947	4.9
184.59264	0.8
197.04517	1.0
206.99605	2.9
211.02422	2.5
224.98692	1.1
225.00746	19.0
235.16284	0.8
243.01698	2.3
271.04648	3.8
299.04242	2.7
311.99161	1.1
327.01215	1.5
385.95978	0.7
439.23062	2.8
483.18344	2.0
483.29239	0.9
509.23590	2.1
527.17780	100.0
528.18219	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	527.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
58.00595	1.0
59.01385	30.5
60.69586	0.7
61.98839	9.4
67.01874	1.6
69.03448	1.2
69.31059	0.9
69.87132	0.7
70.40541	0.8
71.01386	22.8
72.99309	2.6
73.02949	2.8
83.01392	2.8
85.02954	7.4
87.00877	1.8
89.02448	17.8
95.01415	4.5
96.96018	3.3
97.02970	1.5
99.00888	1.8
101.02454	17.1
103.77563	0.9
106.42899	0.8
107.01398	8.3
111.00878	3.4
113.02450	9.5
119.03522	7.7
119.05013	0.9
120.99592	1.0
123.00890	18.8
123.04504	1.4
124.01708	2.0
125.02455	30.6
126.02804	0.9
127.00413	1.2
136.98825	3.1
139.00380	7.6
140.01173	5.1
141.01956	2.2
151.00386	11.0
151.04042	1.7
153.01909	1.4
154.99890	1.1
167.03549	0.8
168.00656	9.2
169.01427	38.1
177.09152	2.0
179.05588	1.3
195.10176	1.3
211.02481	26.2
225.00983	1.0
241.03445	1.2
271.04599	38.2
272.04910	1.1
299.99045	1.1
300.99878	15.4
302.00195	1.4
313.05505	1.3
331.06534	4.5
357.15579	2.2
375.16599	34.8
376.16843	3.1
449.16083	1.2
483.18759	36.1
483.25748	1.8
484.19110	3.2
509.16632	32.5
510.17252	2.7
527.17682	100.0
528.18188	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47300	0.9
55.01888	1.6
57.03448	1.2
59.01386	19.7
61.98843	14.2
67.01884	1.4
69.03481	1.1
71.01391	18.6
71.60732	1.6
72.99300	2.9
73.02956	4.8
74.99096	2.2
78.95905	4.6
79.01899	1.9
83.01385	3.4
84.02645	1.0
85.02950	7.2
87.00880	1.9
89.02444	9.5
95.01383	4.9
96.96022	6.0
97.02934	1.4
99.00867	1.6
101.02463	15.5
107.01391	6.1
109.02962	1.2
111.00872	4.2
113.02455	7.4
119.03494	4.8
123.00009	1.3
123.00887	21.9
123.04519	1.2
124.01666	1.7
125.02459	24.7
127.00382	1.3
136.99022	3.2
137.02429	1.5
139.00378	7.4
140.01126	5.7
141.01950	3.3
143.03531	1.1
145.02910	2.1
146.08246	1.2
149.02461	1.7
151.00385	12.7
153.01932	2.2
161.02463	2.2
161.04486	1.9
163.03972	1.4
168.00650	5.2
169.01445	32.3
170.01797	1.2
175.04083	1.6
176.67479	1.1
177.09148	2.3
183.02988	1.4
191.87589	1.1
195.10210	1.3
211.02513	6.9
212.48653	1.1
225.01628	3.7
271.04639	6.7
300.99802	3.7
301.03021	2.1
302.03476	1.2
308.65015	1.1
313.05618	2.3
331.17776	1.0
338.88785	1.2
357.15659	6.4
375.16608	26.4
376.17090	1.3
464.08881	1.9
483.18793	25.5
484.19189	2.3
509.16675	40.7
510.16910	5.0
527.17664	100.0
528.17865	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	527.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51685	0.6
59.01373	1.5
60.97528	0.9
61.13874	0.6
61.98822	3.0
63.96245	6.4
71.01386	3.4
71.05003	0.6
71.31256	0.7
71.94164	0.7
72.99316	5.8
73.98323	5.7
74.99102	90.0
85.02979	1.3
87.00891	0.9
88.98846	0.9
95.01381	0.8
96.96012	3.0
98.20724	1.6
99.92624	0.7
111.00884	0.9
117.03426	0.7
117.97321	4.0
123.00903	1.9
125.02462	5.0
129.37473	0.7
135.04562	1.1
135.98364	10.6
136.99159	100.0
137.99512	1.0
139.00380	2.1
145.02972	0.7
149.02400	0.7
151.00491	2.0
151.04034	1.0
159.30367	0.6
161.02509	1.2
164.04741	1.2
166.06450	0.7
168.00603	1.1
169.01430	6.1
179.03496	1.5
179.07144	1.8
181.01552	0.8
181.08698	0.9
191.03580	0.7
195.06662	1.0
203.03398	0.8
207.01102	0.8
211.02467	4.8
227.09384	0.8
247.02464	1.3
257.04800	0.9
271.04602	7.2
275.01950	1.5
299.99133	12.0
300.99866	6.7
447.05548	10.1
448.06396	0.9
452.03342	1.1
464.09531	1.9
483.09253	1.5
483.15363	1.5
527.17462	4.6
527.25269	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	527.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.4
61.98810	1.6
67.01897	1.7
71.01385	6.2
71.59729	1.0
72.99319	0.9
73.02937	1.6
75.00869	0.9
75.51692	0.9
79.01897	1.7
79.95744	1.2
83.01396	1.9
84.26414	1.0
85.02937	2.5
87.00880	2.6
89.02435	1.3
90.89358	0.8
92.38828	0.8
95.01399	2.4
96.95432	1.8
96.96014	14.7
97.02982	1.9
101.02431	3.9
103.04003	1.7
103.38963	0.9
107.01397	11.3
108.02150	1.5
109.02937	1.2
111.00899	6.4
113.02437	2.6
117.03516	1.2
117.05578	4.3
120.99680	1.2
121.02950	1.7
122.03770	0.9
123.00901	22.1
123.04528	2.6
124.01653	2.7
125.02458	59.0
126.02790	1.9
127.00400	2.2
136.98830	3.7
137.02475	2.7
139.00395	7.9
139.04042	1.4
140.01192	6.8
141.01912	1.0
145.02951	1.8
147.04553	1.4
149.02458	8.7
150.03246	25.2
151.00383	13.4
151.04010	3.3
153.01860	2.0
159.04494	1.0
161.02432	3.2
162.03261	2.2
163.03998	2.7
164.04790	3.3
165.05576	14.7
166.02625	1.0
166.99886	1.4
167.03563	1.0
168.00650	14.1
169.01439	82.7
170.01767	2.1
175.03986	1.5
177.01892	1.2
177.05515	1.1
179.03529	2.2
180.04330	1.9
183.02988	8.3
185.02420	1.2
189.01945	2.3
191.03514	1.8
195.03018	1.1
195.06592	1.9
201.01898	2.3
203.03462	1.9
205.01457	1.1
210.01633	1.5
211.02490	7.9
217.01501	1.2
223.02429	1.5
225.04079	7.8
229.01352	2.2
230.01834	1.1
231.02982	1.9
245.00797	1.0
249.03986	4.0
253.03525	1.6
257.00943	1.6
259.02475	0.9
261.00427	2.2
270.23666	0.9
271.04706	6.9
273.00363	1.6
274.01108	1.0
275.02112	5.7
276.02240	1.3
285.06183	9.2
297.06174	3.4
299.99081	1.2
300.96585	1.8
300.99930	24.1
302.00351	4.3
313.05655	21.1
314.05902	1.5
327.07260	1.7
330.63605	0.8
345.07962	1.3
373.07593	2.4
375.09424	2.9
383.10861	1.0
385.07733	9.9
391.02438	1.2
475.09296	1.0
479.11954	83.8
480.12320	6.4
491.11737	1.9
505.03253	5.9
505.53696	3.9
509.12906	14.6
510.12854	2.2
527.14087	100.0
528.14734	8.5
537.85931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60804	1.2
59.01364	3.7
61.98832	12.1
65.00328	1.1
71.01382	5.3
72.99305	1.8
73.02962	1.3
74.99113	1.4
79.01885	2.9
83.01409	1.9
83.02695	1.3
85.02960	2.9
87.00893	2.8
88.98861	1.5
89.02438	2.1
95.01382	5.6
96.96021	6.8
97.02972	2.0
99.00920	1.6
101.02443	4.2
102.98101	1.1
107.01391	9.7
108.02195	3.1
109.02948	3.2
111.00900	7.0
113.02412	2.6
121.02966	1.8
123.00898	24.1
123.04482	3.2
124.01686	2.5
125.02463	60.7
126.02773	2.0
136.98904	3.9
137.02443	4.2
139.00397	9.3
139.03952	1.8
140.01196	8.5
141.01932	1.7
145.02888	1.8
149.02437	7.8
150.03246	24.8
151.00398	15.6
151.03992	4.0
153.02022	1.5
161.02425	3.1
162.03247	2.1
163.03952	2.2
164.04845	3.1
165.05585	16.8
165.52466	1.2
168.00659	15.9
169.01437	88.6
170.01782	3.1
177.01988	1.4
179.03421	1.2
180.04297	1.6
181.05084	2.0
183.02992	8.5
192.99567	2.2
195.06590	3.8
211.02513	13.5
217.01355	1.5
225.04080	8.6
229.01436	1.9
236.98520	1.3
241.03493	2.1
248.64130	1.3
249.03906	1.9
253.03606	1.5
271.04633	10.0
275.02106	3.0
285.06180	10.7
297.06171	3.4
300.99780	7.4
313.05652	19.9
314.06018	1.8
327.07147	2.7
373.07791	3.9
375.09378	2.5
385.07831	12.9
426.98093	1.2
466.02887	1.8
479.11990	78.9
480.12347	7.8
491.11557	1.6
509.12906	28.7
510.13489	2.3
522.03534	1.4
527.14105	100.0
528.14429	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	527.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
58.00579	1.4
59.01380	5.9
61.98818	2.3
64.10138	0.8
67.01884	1.8
69.03452	1.1
69.51214	5.5
71.01384	6.2
72.99322	1.7
73.02953	0.9
73.91503	0.7
79.01929	1.0
83.01347	1.1
85.02961	1.2
87.00886	2.2
89.02444	2.5
89.04012	0.8
89.36507	0.8
93.03487	0.8
95.00883	0.8
95.01372	4.2
96.96015	19.3
97.02962	2.4
98.19874	1.3
99.00889	1.2
101.02434	3.5
105.56585	0.8
106.00645	0.7
107.01389	10.5
108.02191	2.2
109.02958	1.1
111.00890	4.5
113.02455	2.4
117.03474	2.7
119.05009	1.2
120.99655	1.3
121.02956	1.6
123.00895	22.0
123.04547	1.3
124.01662	2.7
125.02454	52.1
126.02749	1.2
127.00380	1.9
128.44922	0.7
135.04547	2.2
136.98854	3.1
137.02454	2.9
138.79253	0.8
139.00391	9.4
139.04042	2.3
140.01172	7.3
141.01903	2.2
145.02957	10.5
146.03767	1.5
147.04544	2.3
149.02443	3.1
149.78818	0.7
150.03224	2.1
151.00388	11.1
161.02463	7.0
162.03244	10.6
163.04015	8.2
165.01923	0.8
165.05545	2.2
166.99792	1.6
167.03439	1.1
168.00664	16.8
169.01434	62.2
170.01817	2.3
171.16423	0.8
175.03972	1.3
177.01953	1.6
177.05598	1.0
179.03574	1.5
180.04295	3.8
181.01515	1.1
182.02238	0.9
183.02962	5.8
185.02547	0.8
189.02003	0.8
191.03497	1.4
193.01508	0.9
194.99326	2.2
195.06674	5.7
201.01956	1.1
207.03030	1.0
210.01714	1.9
211.02487	50.1
212.02890	2.1
213.04031	1.2
217.01390	1.4
225.04054	8.0
229.01395	0.9
229.74048	0.9
231.02965	1.6
241.03383	1.2
245.00911	1.9
247.02444	0.8
249.04099	1.9
255.81801	0.8
257.00760	1.3
271.04593	56.0
272.04965	2.1
275.01971	5.5
285.06155	9.1
297.06421	1.1
300.99869	9.2
302.00290	1.7
313.05597	4.3
314.70151	0.8
331.06680	6.8
343.10526	1.0
358.24615	0.9
375.09335	2.8
403.08868	2.9
429.10767	1.6
457.52667	1.0
466.02905	2.8
466.53192	2.1
479.12143	2.7
509.13019	100.0
510.13370	9.9
527.14142	73.4
528.14398	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	527.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.9
61.98842	1.1
69.72423	6.2
71.01386	9.5
72.99313	1.1
73.02950	1.3
73.07802	0.9
79.95741	1.0
79.98582	0.9
83.01379	1.7
85.02960	4.2
89.02438	8.3
95.01377	2.3
96.96034	6.2
97.02915	1.6
101.02447	8.0
107.01389	4.0
111.00871	3.5
113.02451	5.1
119.03498	4.4
123.00883	14.8
124.01691	1.9
125.02456	27.3
136.98900	1.6
137.02480	1.1
138.03227	1.4
139.00363	4.4
139.04015	1.7
140.01149	3.1
141.01956	1.1
147.04453	1.3
151.00374	11.0
153.01920	2.8
161.02370	1.1
161.04539	1.0
167.03535	1.7
168.00706	6.0
169.01434	30.8
169.05144	1.5
181.63098	1.0
195.03125	0.9
199.09013	0.9
211.02480	9.6
213.04056	3.3
249.04312	1.3
255.05127	2.6
271.04581	7.2
275.02234	2.0
297.03583	1.7
300.99918	6.9
313.05722	2.2
375.09320	100.0
376.09637	5.6
527.10406	90.7
528.10907	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	526.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93923	0.2
59.01382	1.4
60.95699	0.3
61.98836	100.0
67.15462	0.2
69.48663	1.4
69.49073	0.4
71.01394	0.7
73.02951	0.6
79.48403	0.3
83.43992	0.3
85.02989	0.4
89.02474	0.4
95.01395	0.2
96.96004	0.3
98.19863	0.5
99.04557	0.4
101.02458	0.7
101.06107	1.2
102.06469	0.5
115.07677	0.7
123.00913	0.5
123.04580	0.4
125.02486	0.7
131.03516	0.4
161.04579	0.3
163.36621	0.3
169.01457	0.7
271.04572	0.3
360.34915	0.3
387.77689	0.3
490.17258	0.3
526.24683	1.5
526.31421	0.4
527.24847	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	526.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04922	0.8
57.03436	1.6
59.01376	3.1
61.26964	0.9
61.98835	100.0
64.43401	1.0
64.75069	0.9
65.24538	0.9
65.74108	0.8
69.11976	0.9
70.92059	2.2
71.01390	1.8
71.05021	3.7
71.70780	0.9
79.01865	1.1
81.03446	0.9
83.05038	1.5
88.98823	2.5
89.02454	1.8
95.05040	6.0
96.95994	1.3
97.02967	3.0
97.06599	1.3
113.06103	1.1
125.02462	2.2
135.42337	0.9
139.04027	29.0
145.84637	1.1
166.58542	1.0
174.68390	1.0
233.15451	2.9
280.12897	1.1
459.75333	1.0
463.23404	80.0
464.23615	7.5
464.30444	1.9
534.52100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01373	2.3
61.08489	0.5
61.98825	1.4
71.01391	2.3
71.61229	0.7
72.99319	0.5
73.02960	1.0
79.75717	0.4
79.95744	9.4
80.96519	8.4
85.02958	3.3
87.00883	0.7
89.02447	1.1
94.98061	1.0
95.01406	0.5
96.96015	99.7
97.02976	0.4
99.04522	0.5
101.02448	1.4
111.00912	0.6
113.02483	1.0
120.99699	0.6
122.97495	0.4
123.00919	2.1
123.04527	0.6
125.02453	2.9
127.04010	1.4
134.11606	0.5
134.97607	0.4
136.99155	10.6
138.97089	6.5
139.00412	0.7
139.04054	0.8
140.01230	0.5
145.02898	0.6
148.99246	0.7
150.03160	0.5
151.00414	1.2
151.03983	0.8
152.98631	0.5
161.02464	0.6
164.98645	2.6
168.00595	0.7
169.01418	3.4
173.02451	0.8
178.99954	0.5
185.02443	1.6
201.02031	1.3
206.99706	0.7
211.02473	1.1
225.00743	100.0
226.01022	3.1
229.01424	2.9
245.00842	1.1
257.00897	1.0
271.04611	1.9
283.99658	1.7
286.30444	0.5
299.99155	2.1
300.99890	81.5
302.00192	5.0
313.05606	0.5
322.03903	0.5
339.39902	0.4
375.16663	1.3
447.05710	11.0
448.05847	0.7
483.19138	1.0
509.16623	2.0
527.01532	7.1
527.18042	14.2
527.24707	0.6
528.01428	0.5
528.18317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.17439	0.4
61.98835	100.0
71.01396	1.2
81.77280	0.4
89.02473	0.9
93.03465	1.0
94.03841	0.5
95.01388	0.4
96.96040	0.7
101.02493	0.7
107.01459	0.5
123.00925	1.2
125.02464	2.9
126.02846	0.6
137.02461	2.0
138.02809	1.0
139.00377	0.8
148.32854	0.4
151.00409	0.9
153.01968	0.4
168.00677	0.5
169.01431	2.6
170.01772	0.6
177.05367	0.3
179.03561	1.2
180.54518	0.4
207.31592	0.4
211.02461	0.7
231.67628	0.4
232.08890	0.3
239.05818	0.8
271.04791	0.9
285.04077	0.4
287.72794	0.4
300.99753	0.5
308.67065	0.4
331.06561	0.4
393.26071	0.4
463.08853	0.4
526.11993	5.4
526.24023	4.7
527.18213	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.17439	0.4
61.98835	100.0
71.01396	1.2
81.77280	0.4
89.02473	0.9
93.03465	1.0
94.03841	0.5
95.01388	0.4
96.96040	0.7
101.02493	0.7
107.01459	0.5
123.00925	1.2
125.02464	2.9
126.02846	0.6
137.02461	2.0
138.02809	1.0
139.00377	0.8
148.32854	0.4
151.00409	0.9
153.01968	0.4
168.00677	0.5
169.01431	2.6
170.01772	0.6
177.05367	0.3
179.03561	1.2
180.54518	0.4
207.31592	0.4
211.02461	0.7
231.67628	0.4
232.08890	0.3
239.05818	0.8
271.04791	0.9
285.04077	0.4
287.72794	0.4
300.99753	0.5
308.67065	0.4
331.06561	0.4
393.26071	0.4
463.08853	0.4
526.11993	5.4
526.24023	4.7
527.18213	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	526.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70014	0.4
51.10601	0.4
59.01386	3.4
60.25653	0.4
61.98836	100.0
71.01391	2.3
73.02959	0.5
73.68725	0.4
79.01907	0.6
83.01416	0.8
85.02941	0.9
85.06612	1.1
88.92799	0.4
88.98787	0.4
89.02469	1.7
93.03461	0.9
95.01393	0.7
96.96033	2.1
97.02973	0.5
101.02452	1.6
107.01409	1.4
107.85247	0.4
111.00867	0.5
111.04511	0.7
111.45513	0.4
113.02465	0.7
119.04980	0.6
123.00867	2.9
124.01207	0.5
125.02458	4.9
126.02791	1.1
135.04549	2.8
136.04921	0.8
139.00446	0.8
140.01196	0.8
141.02020	0.6
151.00392	1.6
151.07654	0.9
153.05591	10.9
161.02461	0.7
162.56369	0.5
165.05617	0.7
168.00703	0.8
169.01424	4.8
170.01779	0.8
177.05609	0.8
179.03517	2.2
180.03915	1.2
195.06671	4.1
207.06705	0.7
211.02493	2.3
212.02791	0.5
271.04684	3.5
272.05029	0.8
301.10889	7.4
313.06070	0.7
331.06836	0.7
340.05853	0.5
363.30206	0.7
373.18890	1.0
374.19012	1.4
463.16034	5.2
482.21317	1.6
508.19092	1.7
525.35803	1.1
526.08032	0.8
526.20807	9.0
527.21667	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01376	6.7
61.98834	43.9
63.02399	2.9
65.00319	5.3
67.01907	0.9
67.78671	0.8
69.03412	0.7
71.01385	6.5
71.60938	0.9
72.99315	1.1
73.02923	1.1
74.99088	0.8
75.00887	1.3
81.03488	0.9
83.01407	4.3
85.02966	3.3
87.00885	1.8
88.98809	2.1
89.02454	2.0
93.03472	1.2
95.01376	1.8
96.96011	6.2
97.02969	1.1
98.95642	0.9
101.02451	2.9
107.01394	15.0
109.02968	1.9
111.00896	1.7
111.33367	0.7
113.02443	1.5
120.99705	0.8
121.02984	8.1
123.00897	11.8
123.04549	3.2
125.02457	15.6
126.02864	1.0
130.84128	0.8
135.04539	1.2
136.98849	0.9
137.02460	1.6
138.03209	1.4
139.00380	3.5
139.04033	1.4
140.01117	3.0
141.01953	1.2
149.02458	1.5
151.00372	59.0
152.00743	2.5
153.01988	1.1
153.05550	5.5
160.01631	1.9
161.02429	1.0
161.04591	1.2
163.00302	0.9
163.03999	1.5
164.04828	1.0
165.01913	1.3
166.99904	1.0
168.00575	3.2
169.01427	24.2
170.01828	1.9
175.03978	2.8
178.99864	23.6
179.03398	0.8
180.00128	0.8
182.02200	3.3
183.02618	1.7
192.00760	1.0
193.01450	1.3
197.04538	6.1
198.04848	2.5
211.02451	3.6
237.04015	0.9
237.06219	1.3
245.04602	1.1
257.04645	1.0
271.02069	0.9
271.04736	3.9
273.04050	1.4
300.02686	2.4
301.03531	100.0
302.03903	7.8
313.05618	4.7
337.09225	4.0
346.65271	0.8
463.08795	84.6
464.09094	9.4
483.18692	1.6
491.15329	0.9
509.16824	5.5
525.23535	17.9
525.35602	1.3
526.24304	32.6
527.17090	11.7
544.17847	0.8
551.29797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69333	1.2
50.99242	1.3
52.06974	1.5
56.13530	1.3
59.01396	3.4
61.98817	5.4
63.94653	1.3
71.01389	3.9
71.60509	2.6
73.02973	2.2
74.99101	2.8
85.02971	6.0
88.98817	3.6
89.02449	1.8
95.01379	2.7
96.96019	5.6
101.02429	2.5
107.01384	3.8
111.00881	2.8
113.02477	2.3
123.00851	7.6
124.01672	2.6
125.02467	26.8
136.99113	3.1
137.02434	1.6
139.00385	3.3
140.01170	3.1
145.02936	1.6
151.00374	4.4
161.02403	2.4
163.04028	1.3
165.01923	2.4
167.03511	1.4
168.00659	12.9
169.01433	40.8
170.01677	2.5
177.01945	1.3
185.02390	2.0
189.01886	2.7
191.03452	3.9
201.01881	1.5
203.03519	2.9
211.02486	49.5
212.02808	3.3
217.01283	2.0
218.99185	1.6
229.01370	3.3
231.02896	4.2
233.00748	1.6
245.00810	1.5
247.02306	1.9
249.03964	8.8
257.00958	1.9
261.00262	1.7
263.01849	1.8
271.04611	100.0
272.04962	6.7
273.00238	2.0
275.02048	10.5
299.99258	2.0
300.99911	17.2
302.00330	3.0
313.05597	3.8
331.06747	51.1
332.07169	2.2
347.00574	1.9
373.07568	11.0
385.02615	1.3
385.07617	3.4
403.08670	7.4
436.11572	4.5
463.10687	21.1
464.11337	2.3
479.11670	3.4
509.12833	2.1
527.14203	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	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63603	2.6
61.98838	25.0
111.14455	2.8
151.00380	9.1
158.23489	3.0
229.18413	2.6
243.02989	8.1
255.02936	15.6
256.03253	3.5
271.02490	41.5
272.03058	3.0
300.02783	77.7
301.03500	35.2
336.33072	3.0
371.23019	2.9
410.10632	3.2
463.08774	100.0
464.09021	11.9
498.00345	3.2
527.18359	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	525.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03439	1.3
61.98810	0.9
69.55722	0.5
71.05022	8.3
71.61379	0.9
79.01881	3.4
80.87984	0.6
81.03453	0.6
81.09145	0.6
85.06591	3.7
90.26923	0.6
93.03452	0.9
95.05027	9.6
97.02966	4.5
97.06584	0.7
109.02959	1.6
110.86430	0.7
121.02961	1.9
123.00907	0.8
125.02430	1.1
127.03925	0.9
135.04507	0.9
137.02428	2.0
138.03241	1.4
139.04015	39.5
140.04338	1.3
151.04022	0.9
153.05513	1.6
165.01942	4.9
166.02705	9.6
176.32257	0.5
177.09259	0.7
179.03468	1.1
180.04297	7.0
189.05493	0.8
193.05093	6.0
194.05591	0.8
198.01608	0.8
205.12268	1.2
207.06586	1.7
219.13950	0.8
235.09697	2.3
249.11398	3.5
263.12845	1.5
273.18677	0.7
303.15985	2.4
327.15216	0.6
332.25531	0.6
339.27200	0.8
381.20654	1.1
381.28174	3.0
382.28308	1.1
384.71719	0.6
385.23868	1.1
392.37213	0.6
395.22134	3.0
396.22858	2.1
409.23904	1.4
425.27075	2.9
437.30731	1.2
469.15994	0.7
469.25958	30.6
470.26224	2.7
481.29773	34.3
482.29843	4.6
525.28558	100.0
526.28912	15.7
526.34845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01385	0.5
61.98842	1.1
65.00345	0.5
71.05023	5.3
71.60627	0.9
79.01899	1.8
83.01377	0.7
85.06597	11.5
95.05035	6.5
97.02956	2.3
97.06583	0.7
107.11389	0.5
109.02945	0.7
121.02986	1.4
125.95973	0.5
135.04526	1.2
136.05234	0.6
137.02455	1.0
138.03224	1.7
139.04025	25.3
149.06020	0.6
151.07597	0.8
155.99306	0.5
162.84077	0.5
165.01944	3.3
166.02713	6.2
179.03467	0.9
180.04317	4.2
193.05086	4.1
194.05759	1.0
198.01659	0.8
207.06694	0.9
235.09810	1.4
249.11302	1.3
257.11118	0.5
263.12811	1.0
303.15848	0.8
311.20163	0.7
313.21567	1.2
317.17542	0.7
341.17731	0.6
343.19266	0.7
351.23264	0.7
381.28195	0.8
395.22357	3.4
413.23410	4.6
425.27020	1.1
469.25964	14.1
470.26498	2.8
481.29581	6.6
525.28571	100.0
526.28967	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61119	0.4
55.01873	0.4
59.01380	2.1
67.01892	1.2
69.29990	4.0
69.30386	1.0
71.01401	2.0
72.99304	0.7
73.02953	0.9
79.01886	1.1
83.01376	1.7
85.02946	1.6
95.01398	2.0
97.02961	0.6
99.00877	0.7
101.02470	2.1
107.01408	3.6
110.00072	0.9
111.00907	2.6
111.01565	0.4
115.95182	0.4
123.00905	16.2
124.01719	1.1
125.02464	17.3
127.00363	1.0
136.98796	1.6
139.00398	4.7
140.01184	3.7
141.01993	2.1
151.00397	9.8
151.03889	0.4
153.01953	0.8
165.05670	0.4
168.00647	2.7
169.01439	16.6
210.63664	0.4
211.02542	1.0
251.40170	0.5
271.04614	0.6
301.44611	0.5
313.05643	0.8
525.23438	100.0
526.23804	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03437	5.5
58.37526	2.1
59.01381	40.0
61.98834	80.5
67.01894	1.8
69.03431	1.8
69.31001	19.6
71.01385	32.7
71.05019	12.3
72.99309	3.9
73.02943	8.4
75.00886	3.1
81.03464	2.7
82.96082	2.1
83.01389	8.3
83.05006	4.3
85.02938	12.7
86.03274	2.2
87.00867	5.4
89.02442	14.6
93.03429	2.0
95.01373	5.3
95.05007	3.7
96.96008	17.5
97.02953	8.9
97.06576	2.5
99.00869	3.5
101.02436	20.3
107.01389	8.7
107.05026	4.4
108.05810	5.6
109.02951	9.3
109.06614	3.9
111.00912	18.0
111.04524	7.4
113.02455	14.9
113.06061	8.0
114.02814	2.2
117.05584	59.5
118.91813	2.2
119.03504	5.9
119.05020	3.0
122.03725	6.5
123.00883	19.5
123.08163	8.0
124.01675	2.4
124.05270	2.1
125.02452	31.3
125.06084	12.3
126.02847	2.2
129.01999	2.2
133.02946	3.4
135.04486	6.5
136.05313	6.3
136.98790	2.6
137.02429	5.4
137.06041	6.3
137.09819	3.1
138.03183	2.6
138.06874	11.0
139.00356	6.4
139.07645	28.5
140.01158	4.6
148.05252	3.0
149.06035	4.8
151.00385	15.8
151.04057	3.8
151.07660	58.9
152.01015	2.1
152.04782	7.7
152.08458	22.0
153.01923	8.4
153.05592	2.9
153.09192	9.9
157.08749	2.8
159.02986	3.3
159.11751	2.3
161.02441	12.2
161.04576	3.9
161.09688	5.2
163.07599	6.9
167.07098	4.6
168.00627	7.2
169.01422	36.7
170.01657	4.5
177.03955	2.5
179.03490	3.2
189.09183	4.1
195.02953	4.1
195.06625	14.7
201.12827	19.7
203.10739	6.9
204.11531	25.7
209.11818	2.7
211.02420	8.2
219.11906	3.5
219.13898	50.5
220.14299	2.5
233.11769	4.0
239.05598	2.5
245.11800	7.6
249.11040	2.4
255.05139	2.8
263.12885	68.8
264.13330	4.8
265.09320	2.7
271.04507	10.9
287.12863	4.6
300.09436	2.4
300.99677	2.4
301.10794	37.5
307.55045	2.3
313.05673	8.3
327.22009	2.7
361.29770	2.7
362.29959	8.9
363.30234	6.3
373.18732	9.5
392.07843	2.2
445.15005	6.0
463.15912	4.6
481.20728	6.7
482.53708	2.2
507.18753	6.1
524.34851	6.4
525.22845	100.0
525.35223	14.7
526.23230	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	525.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57492	0.9
57.03447	2.7
59.01376	2.6
61.98837	1.5
62.32447	0.8
67.01882	1.3
69.03465	8.3
69.90574	2.3
69.90988	2.5
71.05023	3.7
73.02957	1.5
80.02679	1.9
81.03466	3.5
82.61856	0.9
83.01393	3.0
83.05032	6.9
84.02176	2.1
85.02940	1.7
95.05031	3.3
97.06576	2.3
98.20561	1.1
99.04522	1.5
106.08388	0.7
109.06590	1.0
123.04509	2.6
123.08147	2.5
125.02495	0.9
125.09738	7.8
133.27457	0.9
135.08244	0.9
149.09702	2.1
151.11313	6.7
153.12869	3.1
161.09750	10.2
162.70366	1.0
163.11298	5.3
165.12872	2.3
167.03542	5.7
168.33609	0.9
179.10788	32.0
180.11136	1.9
181.09193	0.9
181.12355	1.2
185.11888	1.3
191.10751	1.2
197.11850	100.0
198.12193	4.2
203.31364	1.0
209.11852	81.6
210.12175	4.0
217.97755	1.0
223.09735	3.5
225.11296	1.4
227.12843	9.8
241.10826	14.9
242.11275	1.4
297.13467	7.8
315.14508	19.3
334.37552	0.8
371.21786	1.0
373.54062	0.8
389.23285	1.4
411.31339	2.2
507.25494	2.4
517.02087	1.0
525.27063	89.2
526.27344	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.3
55.01871	1.3
57.03447	0.4
58.00596	0.6
59.01105	0.6
59.01382	8.8
60.57736	0.3
67.01894	1.2
68.99815	0.4
69.03452	0.9
69.55760	1.4
69.56168	0.8
71.01387	9.5
72.99308	1.3
73.02951	3.8
74.39119	0.4
79.01897	1.1
83.01395	2.8
85.02955	5.6
86.00088	0.7
87.00874	1.0
89.02441	3.0
95.01382	3.1
96.95440	0.6
96.96017	7.2
97.02959	0.8
99.00880	1.5
101.02448	9.5
107.01396	4.3
110.00148	0.6
111.00878	3.4
113.02451	4.3
119.03493	1.1
123.00893	17.4
124.01702	1.6
125.02453	20.1
127.00372	0.8
136.98798	1.8
138.96230	0.4
139.00389	6.4
140.01176	4.8
141.01964	2.0
143.03467	0.5
145.59608	0.3
151.00386	10.3
151.03937	0.4
153.01938	0.9
161.04585	0.8
162.03458	0.4
163.03996	0.3
168.00635	4.5
169.01431	22.8
170.01706	0.7
177.04085	0.5
193.12332	0.5
211.02495	4.0
271.04623	3.6
272.04810	0.4
313.05627	0.8
329.05008	0.3
339.10922	0.3
344.14874	0.4
373.18680	22.5
374.19092	2.1
473.26074	0.4
481.20798	14.1
482.21454	1.7
507.18735	15.7
508.19223	2.2
525.19788	100.0
526.20081	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	525.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66518	1.1
57.03447	2.0
59.01383	26.6
59.94178	1.5
61.98843	8.8
67.01894	2.2
69.33183	11.8
71.01383	14.7
71.09846	1.2
72.99296	2.1
73.02938	2.8
83.01392	2.8
85.02951	5.8
87.00873	2.9
89.02458	12.1
93.03441	2.2
95.01389	5.7
96.96043	1.9
97.02959	1.5
99.72428	1.3
101.02456	10.1
107.01402	10.9
109.02847	1.6
111.00934	6.6
113.02459	9.2
119.03503	3.9
123.00900	37.7
124.01675	2.4
125.02451	49.5
126.02786	2.7
127.00372	1.6
136.98833	3.6
137.02412	4.9
139.00380	11.3
140.01146	8.1
141.01904	3.9
149.02438	2.0
151.00360	21.6
165.05705	1.3
166.06258	1.9
168.00667	9.7
169.01434	62.0
170.01785	3.2
179.03520	3.4
181.05022	1.4
211.02493	15.1
211.07597	6.3
271.04596	18.7
313.05698	7.0
351.08966	1.4
373.18686	16.5
481.20859	23.5
481.27765	2.2
482.20847	2.9
507.18750	22.9
508.18698	2.4
525.13257	9.4
525.20337	100.0
526.19867	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75946	1.5
59.01382	16.8
62.61518	1.5
67.01899	1.6
69.40409	13.3
71.01377	11.2
72.99312	2.9
73.02951	1.8
83.01381	2.3
85.02921	3.8
89.02442	8.6
95.01381	3.1
98.20628	3.0
101.02474	6.8
107.01359	7.1
109.31808	1.6
111.00893	3.4
113.02451	4.6
119.03484	4.1
123.00895	19.9
124.01675	3.2
124.07363	1.4
125.02451	25.8
134.65736	1.5
136.98758	3.0
139.00357	8.6
140.01114	4.7
146.77977	1.4
151.00420	8.8
168.00719	6.8
169.01436	31.8
193.12144	1.8
194.77431	1.5
211.02446	15.6
271.04593	13.6
297.99152	1.4
298.95084	1.4
355.78510	1.7
373.18649	23.7
374.18900	2.8
383.88303	1.4
481.20801	18.7
482.21124	4.2
507.18781	13.6
508.19327	1.8
525.19678	100.0
526.19922	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.31627	0.7
57.03445	1.3
59.01386	13.5
61.94336	0.7
61.98829	5.4
67.01868	1.5
68.99824	0.7
69.03452	0.9
69.37226	6.5
71.01388	14.2
72.99281	1.0
73.02932	2.8
75.00912	0.8
79.01892	1.5
81.53185	0.8
83.01369	3.4
85.02960	5.5
87.00871	1.6
89.02456	4.8
95.01369	3.8
96.96012	3.7
97.02943	1.1
99.00874	1.6
101.02454	9.9
107.01405	6.0
111.00877	5.9
112.02644	0.7
113.02457	4.6
117.05617	1.0
119.03486	1.5
123.00893	18.5
124.01643	1.6
125.02456	24.2
125.18576	0.7
127.00353	1.4
135.04485	2.4
136.98759	2.0
137.02419	1.1
139.00395	6.6
139.03960	0.8
140.01178	5.2
141.01942	1.9
145.02930	1.4
151.00386	12.6
153.01933	1.8
168.00650	4.6
169.01431	28.7
170.01692	1.0
177.03975	1.4
183.10231	1.0
187.40506	0.8
199.12778	0.7
211.02493	4.7
233.11815	1.0
271.04468	3.0
327.21603	1.7
362.29871	0.8
373.18665	27.8
374.18933	2.5
481.20767	14.2
482.20865	1.5
507.12091	1.2
507.18771	17.3
508.18857	2.5
524.35052	1.2
525.19629	100.0
525.35413	2.6
526.20044	13.0
553.75031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1616
Annotation	6-O-Veratroylcatalpol
Peak:m/z	Relative Intensity
57.03453	0.9
57.82454	0.4
59.01386	2.5
61.80272	0.4
61.98830	0.7
67.01891	0.7
69.03447	0.9
70.27074	0.5
70.87894	1.1
71.01393	4.2
72.99313	0.5
73.02954	1.4
74.99068	0.5
79.01894	1.7
83.01401	1.3
85.02956	2.4
87.00879	0.8
89.02463	0.5
95.01401	2.7
96.95998	1.1
97.02957	0.7
101.02435	2.9
107.01391	5.2
108.02168	0.6
111.00911	2.0
113.02457	1.7
114.90015	0.5
117.03469	0.5
121.02963	0.7
123.00900	14.4
123.04502	0.9
124.01669	1.0
125.02455	22.8
127.00419	0.8
135.04588	0.7
136.98834	0.8
137.02502	0.8
137.09734	1.1
139.00386	4.1
139.04034	0.5
140.01196	2.5
141.01955	1.1
145.03008	0.5
149.02429	1.2
150.03253	2.2
151.00372	10.6
152.01181	1.2
153.02019	0.8
161.02420	0.6
161.04565	0.5
163.04012	0.6
165.05554	2.4
166.02676	0.6
166.99940	0.6
167.03529	2.1
168.00604	2.4
169.01434	33.1
170.01711	1.1
175.35916	0.4
177.01852	0.6
179.03487	0.7
181.05093	1.0
181.08704	6.6
185.23981	0.5
191.03444	0.6
193.05008	0.6
195.06615	1.4
209.04665	0.7
211.02484	1.9
211.06189	0.8
217.01450	0.7
249.04076	1.0
253.03519	0.9
271.04578	2.6
275.01950	1.6
276.02325	0.7
300.99811	2.0
313.05627	5.4
314.06448	0.6
315.08850	1.5
363.10947	2.0
395.47672	0.6
468.71304	0.6
495.11420	0.7
507.11465	0.9
524.55774	0.5
525.16193	100.0
526.16528	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	525.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08273	0.8
59.01384	4.5
61.98814	1.3
64.97203	1.0
69.03434	0.8
71.01385	8.1
71.60495	1.1
72.22757	0.8
73.02409	0.8
73.02932	1.1
73.97055	0.8
76.74262	0.9
78.54500	0.7
83.01400	1.2
85.02947	2.1
86.45904	0.8
87.00880	1.3
89.02463	2.1
93.03439	1.3
95.01393	1.7
96.96014	1.3
101.02432	2.7
107.01385	10.7
109.02919	1.2
110.06341	0.9
111.00867	1.5
113.02438	2.5
117.05562	1.2
122.03729	0.9
123.00892	10.8
123.04469	1.0
124.01710	1.7
125.02451	69.6
126.02799	1.7
134.03720	3.0
136.98900	1.7
137.02454	3.0
138.03232	2.4
139.00388	4.1
139.03984	1.6
140.01147	3.2
145.02953	1.4
148.01602	1.3
149.02409	1.2
149.06070	3.3
150.03180	1.6
151.00374	7.6
151.04063	0.9
152.01137	0.9
153.01860	1.0
153.05563	2.1
165.01929	3.8
165.05591	1.7
166.99951	1.3
167.03456	2.0
167.07094	1.3
168.00641	7.9
169.01431	100.0
170.01755	2.4
177.01884	1.4
179.03479	1.8
179.07095	1.2
180.04265	1.6
181.05057	2.4
183.03082	1.1
193.05028	2.2
195.06624	2.4
211.02493	32.1
212.02809	1.4
219.03127	1.1
229.01346	0.8
241.03531	4.5
253.03470	0.9
271.04608	40.0
272.04922	1.8
275.01941	2.2
300.99927	3.5
303.64853	1.0
313.05646	57.4
314.06021	3.3
331.06784	5.0
373.11337	2.3
447.09219	1.7
495.03934	1.3
495.11411	40.1
496.11829	3.7
507.11426	46.3
508.11911	4.2
525.16791	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	525.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92813	0.4
58.32987	0.4
59.01391	4.5
61.73056	0.4
61.98820	0.7
67.01901	1.1
67.64732	0.5
69.37328	2.8
69.37750	0.9
71.01385	4.9
72.99335	0.8
73.02953	1.1
74.99111	1.1
79.01888	1.2
82.02996	0.9
83.01412	1.0
85.02955	2.0
86.17456	0.6
87.00887	1.2
89.02452	1.0
95.01395	1.9
97.02966	0.6
99.00908	0.6
101.02457	3.4
102.98586	0.6
107.01411	4.1
109.02985	0.7
111.00885	1.8
113.02461	1.4
121.02850	0.6
123.00897	12.4
124.01756	0.5
125.02464	19.8
134.03764	1.4
135.04527	0.7
136.98865	1.3
139.00380	4.2
140.01163	2.0
141.01923	1.6
146.03726	1.4
149.02402	0.5
149.06129	2.4
149.09698	1.4
151.00372	10.3
153.01953	0.8
164.04805	0.8
165.05568	1.9
166.06322	0.9
167.07144	6.0
168.00652	2.6
169.01443	25.4
169.91544	0.4
170.01825	1.1
179.03581	0.7
179.07176	3.6
181.08757	3.6
185.23300	0.4
211.02538	1.6
221.08191	0.9
223.02498	0.6
251.76151	0.5
271.04694	1.1
284.13788	0.5
287.10336	0.9
291.09869	1.4
303.62720	0.5
313.05609	2.8
315.12378	1.7
327.12289	0.6
331.09799	0.5
373.15176	1.5
462.07166	0.5
525.16180	100.0
526.16559	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	525.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37983	0.4
55.01875	0.5
57.03451	0.7
59.01382	6.9
60.99306	9.0
61.77617	0.4
61.98841	2.0
67.01886	0.9
68.99818	0.4
69.64932	0.6
69.65337	2.2
71.01377	4.8
72.01711	0.5
72.99323	0.6
73.02949	1.5
79.01904	1.1
81.75657	0.4
83.01397	1.2
85.02951	2.5
87.00890	0.7
88.98810	66.0
89.02448	1.3
89.99158	0.8
95.01394	1.9
96.96010	5.1
97.02927	0.6
98.19805	0.4
99.00896	0.5
101.02447	3.5
103.02861	0.4
107.01417	3.5
108.01717	1.2
109.02974	0.5
111.00916	2.4
113.02456	1.4
119.03458	0.4
119.05058	0.5
120.99677	0.8
123.00892	14.2
123.04536	0.9
124.01207	1.9
124.01694	3.1
125.01385	1.6
125.02448	15.1
126.02786	4.5
127.00356	0.8
127.02950	1.5
129.00867	0.4
135.04561	0.9
136.98859	1.4
137.02435	0.7
137.09721	0.8
138.03224	0.4
138.99388	0.7
139.00375	4.0
139.04019	3.4
140.01093	2.1
141.01830	1.5
142.02354	0.5
145.02998	0.5
145.88300	0.4
151.00372	8.1
152.00714	2.4
153.00899	1.3
153.01991	1.2
161.04591	0.4
161.09732	0.4
163.04146	0.5
163.07686	0.7
167.03513	0.8
168.00642	3.0
169.01433	15.0
170.01822	5.1
171.01877	3.5
179.03516	0.6
181.05058	0.5
181.08818	0.6
191.03535	0.5
197.04576	0.9
197.11926	0.4
205.12141	0.3
209.15421	0.5
210.15550	0.4
211.02466	2.3
223.09882	0.5
263.05664	0.4
271.04593	3.7
273.05167	0.5
273.07861	1.0
301.03561	0.6
313.05542	0.5
314.06030	0.6
435.13083	0.5
444.42145	0.5
524.22229	12.9
524.34198	1.8
525.22546	100.0
526.22943	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	525.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37983	0.4
55.01875	0.5
57.03451	0.7
59.01382	6.9
60.99306	9.0
61.77617	0.4
61.98841	2.0
67.01886	0.9
68.99818	0.4
69.64932	0.6
69.65337	2.2
71.01377	4.8
72.01711	0.5
72.99323	0.6
73.02949	1.5
79.01904	1.1
81.75657	0.4
83.01397	1.2
85.02951	2.5
87.00890	0.7
88.98810	66.0
89.02448	1.3
89.99158	0.8
95.01394	1.9
96.96010	5.1
97.02927	0.6
98.19805	0.4
99.00896	0.5
101.02447	3.5
103.02861	0.4
107.01417	3.5
108.01717	1.2
109.02974	0.5
111.00916	2.4
113.02456	1.4
119.03458	0.4
119.05058	0.5
120.99677	0.8
123.00892	14.2
123.04536	0.9
124.01207	1.9
124.01694	3.1
125.01385	1.6
125.02448	15.1
126.02786	4.5
127.00356	0.8
127.02950	1.5
129.00867	0.4
135.04561	0.9
136.98859	1.4
137.02435	0.7
137.09721	0.8
138.03224	0.4
138.99388	0.7
139.00375	4.0
139.04019	3.4
140.01093	2.1
141.01830	1.5
142.02354	0.5
145.02998	0.5
145.88300	0.4
151.00372	8.1
152.00714	2.4
153.00899	1.3
153.01991	1.2
161.04591	0.4
161.09732	0.4
163.04146	0.5
163.07686	0.7
167.03513	0.8
168.00642	3.0
169.01433	15.0
170.01822	5.1
171.01877	3.5
179.03516	0.6
181.05058	0.5
181.08818	0.6
191.03535	0.5
197.04576	0.9
197.11926	0.4
205.12141	0.3
209.15421	0.5
210.15550	0.4
211.02466	2.3
223.09882	0.5
263.05664	0.4
271.04593	3.7
273.05167	0.5
273.07861	1.0
301.03561	0.6
313.05542	0.5
314.06030	0.6
435.13083	0.5
444.42145	0.5
524.22229	12.9
524.34198	1.8
525.22546	100.0
526.22943	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	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46070	0.2
53.37981	0.2
57.64906	0.2
59.01373	1.1
61.98833	100.0
69.52515	1.2
69.52920	0.4
71.01392	1.1
73.02974	0.4
74.48595	0.2
85.02965	0.5
89.02463	0.7
95.51910	0.2
98.83152	0.2
101.02449	0.6
102.38608	0.2
113.02431	0.3
123.00864	0.5
125.02487	0.9
151.00395	0.3
161.68224	0.3
168.11214	0.3
169.01425	1.4
170.37418	0.2
211.73689	0.2
219.97653	0.2
294.76901	0.3
361.29575	0.5
362.29907	0.4
523.34973	1.0
524.22266	2.7
524.34943	0.7
525.23126	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	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98834	100.0
62.41297	0.3
64.47968	0.3
67.24553	0.3
67.43573	0.3
69.49567	0.3
71.85027	0.3
82.38689	0.3
98.19837	0.7
125.02454	0.4
138.01996	0.8
138.95064	0.3
247.53531	0.4
290.20020	0.3
294.47177	0.3
349.31134	0.3
524.22498	0.6
524.35626	0.5
525.23615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08998	1.1
51.30527	1.3
58.43218	1.1
61.98832	100.0
69.03430	1.2
76.80681	1.5
85.06632	1.6
98.19822	1.9
109.06551	2.0
126.03218	1.2
153.05600	13.0
179.03558	1.5
180.04221	3.2
252.24008	1.3
252.87433	1.5
259.74966	1.3
263.12921	1.2
264.13577	1.6
395.69370	1.3
461.25476	51.1
462.25504	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	524.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63665	1.1
61.98837	100.0
78.95934	3.0
88.03414	1.1
93.52377	1.1
123.83916	1.2
129.28613	1.1
145.70993	1.2
148.74367	1.1
152.99629	4.5
173.77948	1.2
185.62009	1.2
255.50929	1.5
302.56937	1.1
311.08054	1.3
368.67819	1.5
437.26877	1.5
445.08383	1.5
446.60532	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	524.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72159	0.1
52.64341	0.1
57.03451	0.2
57.85875	0.1
59.01382	1.5
61.98836	100.0
62.98520	0.2
64.97406	0.1
69.48798	0.5
69.49220	0.8
71.01395	1.6
73.02961	0.3
77.30241	0.2
83.01391	0.4
85.02985	0.8
89.02466	0.5
90.37171	0.2
93.84126	0.2
96.96016	0.8
100.54447	0.2
101.02477	1.1
102.57587	0.1
104.97884	0.2
107.01403	0.3
111.00869	0.2
113.02475	0.5
119.03500	0.3
121.41839	0.2
123.00913	0.5
125.02456	1.0
135.04616	0.2
145.51794	0.2
151.00459	0.3
161.04562	0.2
169.01477	1.2
175.16499	0.2
179.03468	0.2
211.02496	0.3
221.32788	0.1
271.04660	0.4
299.09644	0.4
361.29807	0.6
362.29984	0.4
373.18912	0.5
523.34912	1.4
524.22174	1.3
524.35083	1.2
525.20593	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	524.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.0
61.98836	100.0
70.35384	1.5
71.01414	0.8
73.02966	0.5
85.02975	0.9
87.00871	0.5
88.98800	0.5
89.02436	0.5
101.02451	0.7
115.87389	0.4
119.58988	0.4
125.02505	0.5
139.04102	0.4
148.75197	0.4
164.80815	0.4
200.10915	0.5
397.29895	0.4
411.31281	0.7
453.32660	0.4
465.27179	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	524.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14202	1.4
59.01389	4.4
59.32789	1.6
61.98827	5.8
66.19537	1.5
70.65420	3.0
71.01387	5.6
73.02934	1.5
79.64162	1.5
85.02953	3.3
87.00842	1.6
95.01381	2.2
99.00893	2.8
101.02444	3.3
107.01423	7.5
111.00864	3.1
113.02447	2.9
116.92839	3.5
123.00892	13.8
125.02453	39.9
139.00400	4.4
140.01157	3.6
141.01938	2.3
145.02937	2.0
147.06709	1.8
149.02477	1.8
151.00392	11.1
155.43658	1.4
163.51291	1.6
165.01970	2.1
167.03494	1.9
168.00629	13.1
169.01433	55.1
170.01736	3.2
173.02484	2.1
177.01927	1.8
179.03658	1.6
185.72641	1.6
191.03444	1.6
206.02176	1.6
211.02502	58.3
212.02814	2.5
218.10741	1.5
229.01402	2.6
230.02148	1.7
231.02980	3.1
241.03378	1.9
249.03995	6.1
251.03717	2.0
257.00888	1.9
271.04590	100.0
272.04959	5.1
273.00430	2.0
275.01953	6.6
276.02621	1.9
300.99915	9.9
302.00104	2.2
313.05588	6.9
331.06732	34.3
357.11826	1.7
419.88318	1.6
461.08347	22.5
461.12897	91.8
462.14270	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
55.91544	1.4
59.01387	27.4
61.98835	3.2
71.01385	33.7
71.60780	1.9
72.99294	2.2
73.02959	11.9
77.39915	1.4
82.26812	1.4
83.01386	4.1
85.02962	13.3
87.00906	2.3
89.02446	14.4
92.24951	1.3
95.01418	2.5
96.65089	1.4
97.02979	1.9
99.00879	4.5
101.02454	22.5
103.83538	1.7
106.86501	1.5
107.01404	1.6
111.00873	5.4
113.02450	14.4
115.04025	1.8
120.99682	1.7
123.00890	4.7
125.02451	14.6
129.01891	1.8
129.79065	1.4
131.03528	7.3
135.04478	2.1
137.02399	3.0
139.00414	1.9
149.04541	3.5
151.00436	1.9
155.10844	2.9
161.02502	2.4
161.04593	12.5
163.04025	2.2
165.23361	1.7
167.03438	1.8
168.00626	6.7
168.61888	1.5
169.01454	15.7
183.10269	6.8
199.09779	2.2
211.02492	22.3
229.01466	2.0
233.06621	1.6
271.04602	41.9
272.04901	2.5
275.01932	4.4
292.77856	1.6
300.99869	6.6
331.06662	2.9
331.17670	12.9
342.67114	1.6
361.14896	1.9
371.09778	2.7
463.21863	100.0
464.22314	10.7
465.52383	2.2
503.56500	1.7
523.06616	2.7
523.15350	5.7
523.25165	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	523.307
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
61.98818	1.3
69.19338	1.0
97.02948	1.1
107.05013	2.1
111.04510	2.2
116.10207	1.1
118.95464	1.0
123.04505	1.5
134.03752	2.1
135.04553	2.2
137.02486	1.9
144.95988	1.1
151.04013	3.1
151.07590	1.1
152.04800	1.8
153.05537	5.9
163.07663	2.6
165.01926	1.6
165.05521	3.2
179.03540	7.5
179.07104	7.7
180.04306	11.7
192.04280	3.1
193.05057	5.6
194.05849	12.3
197.23795	1.0
199.99527	1.1
207.06627	44.5
208.07182	5.5
261.11395	1.6
275.12888	7.9
331.19025	1.0
343.22736	1.9
359.22101	1.4
360.23026	6.4
361.23831	10.7
373.23917	4.9
387.25363	3.0
411.25360	5.5
427.41046	1.3
453.74817	1.1
523.30615	100.0
524.31110	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	523.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12839	0.6
55.01871	2.5
57.03458	4.7
58.00595	2.6
59.01386	46.8
61.98835	13.0
65.70107	0.6
69.03456	1.0
69.40597	3.3
69.41028	1.8
71.01390	40.3
71.05037	0.8
72.99305	3.0
73.02960	7.7
75.00877	1.5
79.95747	1.0
80.96525	5.9
83.01390	6.3
83.03975	0.6
85.02962	17.0
85.06591	1.0
87.00871	3.1
87.04528	0.8
89.02457	23.9
89.66562	0.7
94.98085	1.3
95.01405	5.3
96.96013	1.2
97.02956	1.1
99.00867	3.1
101.02457	30.8
107.01389	1.9
109.02976	0.7
111.00879	6.1
113.01685	1.2
113.02460	16.8
119.03513	11.7
121.02985	0.8
123.00894	4.1
123.04528	1.9
123.08158	0.7
125.02460	8.0
131.03526	0.7
134.97658	0.7
135.04546	2.7
136.98734	0.8
137.02481	0.8
138.01964	2.1
139.00383	1.2
140.01170	1.7
141.01874	0.7
143.03531	2.9
145.02927	1.1
151.00383	3.5
153.01939	0.8
153.05573	0.8
155.03499	1.1
157.12329	1.0
159.02966	2.5
161.04544	5.8
163.04045	0.9
164.98663	0.6
167.03519	3.8
168.00589	1.4
169.01431	7.2
171.13860	0.7
179.05629	3.6
187.13353	1.4
193.61157	0.6
209.06059	0.8
211.02457	2.6
213.14906	1.9
213.75514	0.6
223.09743	0.6
225.00781	2.1
257.17514	1.1
267.68088	0.6
271.04660	3.5
275.01843	0.7
276.01685	0.6
277.02533	0.7
301.00204	0.7
307.08041	0.8
313.05804	0.7
315.25345	1.0
359.27951	1.2
361.29611	36.3
362.30038	3.2
523.22192	17.6
523.34851	100.0
524.22308	2.1
524.35187	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22916	0.9
55.01873	1.8
57.03440	2.3
58.00570	1.3
59.01103	1.4
59.01383	28.7
69.03452	1.4
69.48684	6.8
71.01389	36.1
71.43503	0.8
72.99299	1.8
73.02956	8.6
75.00880	1.1
78.92667	0.8
81.03466	1.3
83.01398	4.9
85.02955	13.2
87.00874	2.7
89.02451	14.2
95.01389	1.5
97.02943	3.0
98.19906	1.6
99.00878	3.6
101.02448	24.0
107.01398	1.1
111.00874	3.8
113.02451	10.1
115.03985	0.9
121.02946	1.6
123.00878	1.3
125.02464	7.6
131.03505	7.5
135.04526	1.3
143.03493	1.9
147.14784	0.9
149.04578	4.0
159.03004	1.6
161.02423	1.3
161.04558	8.3
165.01956	1.5
169.01472	5.2
179.03468	1.0
180.04103	1.1
183.10291	1.6
195.06674	1.3
225.07698	1.2
229.01384	1.2
233.06653	2.8
275.01901	1.1
300.99689	2.1
313.16635	1.3
331.17630	12.5
332.17819	1.0
361.15497	1.0
401.07028	1.7
463.21872	100.0
464.22202	8.5
465.52505	1.4
523.11194	1.9
523.21002	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	523.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64997	0.5
57.03434	0.5
59.01389	3.0
61.98834	0.7
64.36749	0.5
66.61348	0.4
67.87755	0.5
71.01385	2.5
71.60844	0.5
71.61195	0.5
73.02959	1.1
78.37363	0.4
85.02961	1.3
89.02448	1.3
93.03444	1.4
95.01408	0.7
96.96018	0.6
101.02472	1.5
108.02190	0.7
109.02968	3.5
113.02461	1.0
117.05576	1.0
119.05019	0.6
119.10865	0.5
121.02138	0.8
121.02967	11.7
122.03751	9.9
123.00893	1.9
123.04551	1.1
124.01668	1.4
125.02502	3.1
129.03503	0.7
134.03758	0.9
135.04539	5.3
136.04956	0.7
137.02460	3.1
137.75920	0.4
139.00377	0.5
146.03754	0.7
147.04530	5.9
148.05261	0.5
149.06078	0.9
151.00391	0.7
153.01933	0.6
154.02727	1.4
157.65030	0.5
160.05240	0.5
161.02455	0.6
161.04758	0.6
161.06110	1.4
163.04053	0.4
165.05579	23.8
166.02637	0.6
166.05916	1.5
168.00621	0.7
169.01442	3.5
175.04070	0.6
178.06415	0.5
179.03531	3.7
179.07130	8.0
180.03947	0.5
181.05170	1.0
191.07184	0.7
195.06628	0.6
201.01833	0.5
209.08171	1.1
223.09784	1.1
273.00537	0.6
275.01947	2.1
285.11124	0.7
299.99258	0.5
300.99939	3.4
301.10809	0.5
313.14331	0.8
315.12317	2.2
316.12906	0.8
320.32355	0.6
346.14218	8.5
361.16571	100.0
362.16913	9.5
384.10971	0.6
396.83170	0.5
455.79657	0.6
456.52005	0.6
463.22028	0.7
465.52371	0.9
466.03180	1.0
479.15491	2.4
494.82059	0.6
501.06458	0.8
514.05670	1.5
523.14313	3.0
523.20349	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	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.72790	0.2
55.01868	1.1
57.03450	1.0
58.00600	0.3
59.01382	9.7
59.01680	0.6
61.98833	2.7
65.00344	0.3
67.01894	0.9
68.99818	0.5
69.03466	0.5
69.30602	1.9
69.31015	0.6
71.01387	9.4
72.99317	0.8
73.02956	2.3
75.00877	0.6
77.84912	0.2
79.01901	0.8
79.95718	0.3
80.96523	2.1
83.01414	2.2
83.05003	0.3
85.02958	4.0
87.00857	1.2
87.04525	0.3
89.02454	5.1
94.98103	1.0
95.01404	2.3
96.96018	0.4
97.02923	0.5
99.00896	0.8
99.21201	0.2
101.02449	6.9
102.02773	0.3
107.01394	3.2
109.02985	0.3
109.06510	0.2
111.00886	4.1
113.02460	3.7
119.03490	1.9
123.00895	13.4
123.04501	0.3
124.01670	1.1
125.02454	14.1
126.02840	0.4
127.00394	1.0
134.97664	0.3
136.98788	1.4
137.02434	0.3
138.01956	1.4
139.00385	4.6
140.01152	3.7
141.01955	1.6
143.03471	0.7
145.02917	0.3
149.04619	0.4
151.00389	8.3
153.01941	0.8
159.02953	0.3
161.02420	0.3
161.04582	1.6
161.09734	0.4
163.04039	0.5
164.98572	0.4
165.01932	0.3
167.03529	0.3
168.00664	3.5
169.01434	19.4
170.01776	0.5
171.14003	0.4
177.04012	0.3
179.05650	0.8
181.05037	0.3
187.11282	0.8
187.13469	0.4
191.03551	0.3
211.02493	2.8
223.13354	0.3
225.00856	0.7
229.12473	0.3
271.04568	2.9
278.67499	0.3
313.05573	1.6
359.28159	0.4
361.29575	8.7
362.30069	0.6
400.36371	0.3
479.19461	0.6
523.21979	100.0
523.33698	13.0
524.22284	12.0
524.35474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
60.00242	0.8
60.99313	17.1
61.98831	5.3
69.03455	1.1
87.00870	2.1
88.98814	100.0
89.99168	1.0
95.01402	1.3
96.96025	2.2
104.20995	0.8
109.66359	0.9
120.77016	1.0
124.01677	1.2
125.02454	5.3
127.90022	0.9
139.03998	1.3
151.33658	0.8
167.03574	1.1
179.03491	1.7
185.36230	0.8
279.51712	0.8
289.14233	1.1
361.20190	1.3
433.22333	26.0
434.22632	2.4
485.32761	8.2
486.33133	1.4
487.33392	1.5
523.28705	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	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03444	0.8
57.19255	0.2
58.00589	0.4
59.01382	8.6
61.98833	14.3
65.00334	0.3
65.57156	0.3
67.01898	0.8
68.99817	0.5
69.03477	0.6
69.32772	1.1
69.33195	1.1
71.01385	7.8
72.01758	0.3
72.99309	0.9
73.02959	1.5
79.01897	1.0
80.96545	0.4
81.03445	0.3
83.01380	1.1
85.02961	2.8
87.00876	0.9
89.02457	3.9
93.03423	0.3
95.01407	1.9
96.95988	0.4
97.02970	0.8
98.20590	0.5
99.00883	0.5
101.02449	5.0
107.01404	3.1
107.04980	0.3
108.27040	0.2
109.02979	0.6
110.00070	0.3
111.00881	2.9
113.02466	3.0
119.03529	1.8
122.91151	0.2
123.00895	13.3
123.04518	1.2
124.01663	1.1
125.02451	13.7
126.02779	0.5
127.00366	1.0
135.04439	0.4
136.98827	1.6
137.02457	0.5
139.00377	5.1
140.01167	4.6
141.01968	1.7
143.03535	0.4
145.02951	0.6
150.06885	0.3
151.00388	9.4
151.03979	0.5
153.01932	1.1
153.05603	0.9
155.03519	1.2
157.35664	0.3
161.04556	0.6
163.03960	0.5
167.10776	1.0
168.00644	3.8
169.01436	19.3
170.01767	0.8
171.13976	0.3
177.03931	0.3
179.03470	0.4
179.05589	0.7
179.07191	0.3
181.05061	0.3
211.02531	1.7
241.03490	0.4
253.03593	0.4
271.04593	2.1
313.05695	1.2
320.78250	0.3
329.05124	0.4
361.29596	4.5
462.06158	0.3
509.25143	0.3
523.21881	100.0
523.33466	9.4
524.22217	12.4
524.35114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
62.59869	0.7
67.01865	0.8
71.01382	3.2
73.02968	1.1
79.01904	1.0
85.02929	1.8
89.02432	1.2
95.01385	1.3
95.18253	0.7
98.19924	2.3
101.02444	1.9
107.01390	3.2
111.00868	1.6
113.02417	0.8
123.00880	10.7
124.01656	0.9
125.02447	15.4
126.02799	0.8
127.00403	0.9
139.00346	3.7
140.01169	2.8
141.01921	1.8
146.35287	0.8
151.00365	9.4
160.73546	0.8
167.00020	0.7
168.00641	3.1
169.01428	19.3
178.05876	0.7
211.02522	1.3
236.38246	0.9
263.86810	0.7
458.31757	0.8
523.21844	100.0
524.22205	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	523.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.3
62.91502	1.0
69.41648	1.0
71.61720	2.0
72.13760	1.1
89.14107	1.1
90.17879	1.5
96.73396	1.2
99.92598	9.2
102.89886	1.1
116.92879	100.0
117.92907	3.8
146.11882	1.2
153.05598	1.4
154.65607	1.3
290.98517	1.4
327.43121	1.5
461.23444	1.3
479.24344	5.6
507.04349	1.3
523.23700	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	523.2191
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.64343	0.2
55.01881	0.5
57.03452	0.7
58.83617	0.2
59.01384	4.5
61.98844	0.1
63.49612	0.2
65.00338	0.3
67.01888	1.0
68.99832	0.2
69.03467	0.5
69.30627	1.6
71.01389	2.8
72.99316	0.7
73.02958	0.8
77.12624	0.2
78.91395	0.1
79.01899	1.3
81.03443	0.3
82.00633	0.2
83.01398	1.1
83.01791	0.1
85.02955	1.8
87.00899	0.5
89.02467	0.6
95.01393	1.8
96.25539	0.1
96.96039	0.3
97.02971	0.6
97.39111	0.1
99.00887	0.5
100.90095	0.1
101.02447	2.5
107.01400	3.7
109.02970	0.4
110.00109	0.2
111.00890	2.1
113.02475	1.3
114.78763	0.2
119.04999	0.2
123.00900	15.2
123.04522	0.3
123.08153	0.2
124.01782	1.0
125.02460	15.9
126.02911	0.3
127.00407	0.8
135.04524	0.2
136.98808	1.3
137.02501	0.3
138.99307	0.2
139.00389	4.7
140.01183	3.1
141.01964	2.1
143.03529	0.2
145.02962	0.2
151.00389	11.6
151.03964	0.3
152.00749	0.3
153.01941	0.7
154.99863	0.3
155.67392	0.2
155.89325	0.2
161.04547	0.2
163.04015	0.4
167.03476	0.3
168.00670	3.1
169.01440	20.8
170.01784	0.6
177.04079	0.2
179.03470	0.4
181.05104	0.6
209.15535	0.7
211.02507	1.3
249.91896	0.2
253.03624	0.4
271.04727	0.9
273.07761	0.3
313.05560	1.2
361.29736	0.3
408.46436	0.2
523.21881	100.0
524.22272	13.2
524.30255	0.4
524.34161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
56.42111	0.3
59.01380	3.2
65.00303	0.4
66.59770	0.3
67.01900	0.8
69.03458	0.4
70.12793	1.3
71.01391	2.9
72.99316	0.4
73.02950	1.0
79.01896	1.3
81.33340	0.3
83.01408	1.0
85.02965	1.5
87.00871	0.7
89.02451	0.7
95.01384	1.3
97.02956	0.7
99.00845	0.4
101.02457	2.1
107.01386	3.4
110.00063	0.4
111.00900	2.1
113.02460	0.9
115.67260	0.3
123.00896	14.8
124.01649	1.3
125.02455	13.3
127.00333	0.4
136.98804	1.0
139.00391	4.9
140.01183	3.4
141.01959	1.9
151.00388	9.5
153.01923	1.1
166.99873	0.3
168.00636	3.0
169.01437	18.5
170.01735	0.8
179.03519	0.5
181.05127	0.4
209.15492	0.4
210.22557	0.4
211.02515	1.1
247.93974	0.3
271.04626	0.8
313.05704	0.9
375.67157	0.3
456.51599	0.3
523.21887	100.0
524.22205	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	523.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07951	0.6
55.01902	0.7
58.00593	1.0
59.01097	0.8
59.01384	15.8
61.98823	1.0
65.00323	0.8
69.03429	0.5
69.73205	1.3
69.73612	2.0
71.01388	11.3
72.99316	2.1
75.00881	0.8
79.01900	0.6
83.01360	1.2
85.02962	8.5
87.00886	1.1
89.02451	11.1
93.03416	0.8
95.01383	1.3
97.02943	0.5
97.93113	0.5
98.20657	1.1
101.02444	4.5
107.01393	5.4
111.00900	2.3
113.02441	3.0
119.01744	0.6
119.03507	3.6
123.00916	3.5
124.01705	2.3
125.02448	28.6
126.02772	0.7
127.00383	1.2
134.75664	0.6
135.04500	0.9
136.98788	1.6
139.00421	3.1
139.04059	1.2
140.01132	3.4
149.02457	0.9
151.00386	2.0
155.10738	0.7
161.02470	1.5
161.04567	0.7
163.04008	0.7
165.01836	1.5
167.03481	1.4
168.00652	13.1
169.01433	40.9
170.01860	0.6
175.04050	1.0
179.03503	0.8
179.05609	2.0
191.07121	2.9
199.66879	0.5
211.02480	62.4
212.02742	2.9
229.01479	0.9
241.03558	1.0
249.04033	0.7
257.08755	0.6
271.04593	100.0
272.05029	4.3
275.01941	2.0
300.99905	2.5
313.05722	0.8
331.06720	17.4
332.06815	1.1
371.13693	3.2
418.29877	0.6
425.07944	0.7
428.01068	0.6
465.52536	0.8
501.07471	0.6
523.14563	53.0
524.14691	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	522.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10474	0.7
61.98835	100.0
63.57590	0.8
70.35257	1.3
70.35628	1.7
71.11251	0.6
82.47063	0.6
86.75471	0.8
99.01827	0.8
106.05274	0.6
125.82870	0.6
164.83595	1.0
190.04915	0.8
246.78653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96700	1.3
59.01377	8.9
60.34864	1.5
60.99303	14.4
61.98833	4.7
69.41477	11.4
69.41882	2.7
71.01382	5.0
71.09344	1.6
73.02932	2.2
81.25911	1.5
81.98482	1.5
85.02951	5.4
88.98811	100.0
89.02445	3.3
91.59280	1.6
96.96027	5.1
96.96977	2.8
99.00921	2.2
101.02454	3.8
108.02163	2.7
113.02456	2.8
117.05633	2.0
123.00875	3.4
123.04518	1.8
125.02446	3.6
151.00381	4.7
169.01430	6.6
183.10312	3.4
225.11356	2.1
243.03073	4.5
254.29018	1.8
255.03090	12.0
271.02466	27.0
299.99326	3.7
300.02765	68.1
301.03418	15.0
330.78540	1.5
391.23431	2.8
433.07748	73.6
434.08200	6.1
459.18814	6.9
460.19070	8.5
505.87405	1.6
523.16888	2.9
523.24426	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	523.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77766	1.1
51.17284	1.3
52.25822	1.2
52.46426	1.3
53.97348	1.1
59.01374	4.4
60.99310	12.1
61.98823	4.1
63.48764	1.3
69.27641	10.5
71.01388	4.0
72.99292	2.3
74.99104	5.1
83.78666	1.3
85.02950	1.5
87.00838	2.1
88.98812	61.5
89.02439	2.3
95.01391	2.5
96.96017	5.2
101.02458	3.8
107.01429	3.0
113.02432	1.9
116.92907	1.9
117.03474	1.7
117.68188	1.1
120.99652	1.8
123.00885	10.7
123.04538	1.9
125.01630	1.6
125.02458	19.1
133.01471	1.6
135.04546	1.6
136.99135	3.2
138.01987	5.4
139.00369	3.1
140.01181	1.7
141.01988	1.8
147.41350	1.5
151.00369	8.3
153.01881	1.3
161.02457	1.5
163.03963	1.5
164.01259	1.3
168.00632	2.0
169.01450	23.0
173.02412	1.3
175.04004	2.1
177.01877	2.1
179.03450	1.4
191.03558	3.3
201.01884	2.2
203.03537	2.3
211.02312	3.2
212.02675	1.4
215.46700	1.3
219.02924	1.8
229.01303	3.3
231.03065	2.8
236.96858	1.3
245.00931	1.8
247.02483	2.6
248.03156	3.0
249.03957	7.5
250.04178	1.5
271.04550	5.7
272.05087	2.0
274.01190	1.8
275.01974	7.8
276.02103	1.9
299.99170	1.4
300.99942	12.2
313.05743	3.2
343.08029	1.8
361.09293	3.5
397.11438	3.3
399.53922	1.3
433.13510	100.0
434.13947	9.6
460.11603	6.0
461.12628	1.7
479.12155	1.6
523.14886	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	522.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89269	1.3
59.01373	3.1
61.98835	12.6
69.87789	6.5
70.44345	1.1
70.61763	1.5
71.01388	4.0
74.99093	4.9
87.00863	1.5
88.98817	2.7
89.02452	1.9
95.01413	1.7
96.95988	6.1
97.02949	3.7
101.02425	1.6
107.01371	2.8
108.02158	3.5
109.02949	2.0
111.00912	2.5
116.92877	2.9
120.99660	1.8
123.00893	4.8
125.02453	24.3
136.99123	2.6
138.01973	32.5
139.00313	1.4
140.01160	1.8
145.02997	1.6
148.75215	1.2
149.02435	1.4
151.00400	4.8
157.75124	1.2
161.02417	1.9
163.04004	1.6
167.03481	1.6
168.00618	4.5
169.01434	41.6
170.01724	1.8
175.03983	1.9
189.02057	1.6
191.03481	2.8
201.02087	1.3
211.02466	29.2
212.02832	2.4
217.01198	1.5
241.03473	2.1
245.00890	1.9
247.02483	1.7
248.03278	1.9
249.04028	3.0
271.04575	49.5
272.05002	2.1
275.01886	6.6
299.99060	1.9
300.99893	12.7
302.00531	1.6
313.05679	13.3
325.74200	1.3
331.06506	2.4
359.06308	2.3
361.09122	2.0
397.11575	1.3
433.13171	3.1
459.11414	100.0
460.11856	11.0
461.03690	2.2
465.52240	1.9
523.54401	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	522.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01392	9.1
60.99319	1.7
61.98840	17.7
71.01399	6.2
71.61393	1.4
72.99296	1.1
73.02951	1.3
75.05984	0.7
76.82696	0.8
81.03458	0.8
83.01402	1.7
85.02956	2.5
88.98808	7.8
89.02446	2.9
92.60499	0.8
95.01411	1.7
96.96019	1.2
99.00871	1.4
101.02462	4.5
107.01394	3.1
108.02186	1.6
109.02967	2.3
111.00902	2.1
117.05576	1.2
120.99676	1.4
122.03784	1.6
123.00887	13.3
123.04589	2.0
124.01723	1.1
125.02460	14.5
126.02837	0.9
135.04512	1.4
136.01668	1.0
136.98822	0.9
137.02434	2.0
139.00386	4.9
139.04034	1.5
139.11290	1.0
140.01138	2.5
141.01894	1.4
145.02965	1.9
146.03172	1.0
150.02989	0.8
151.00404	11.8
151.03951	1.2
153.01942	3.4
163.07645	1.2
165.01939	1.3
165.05574	2.6
168.00620	3.7
169.01457	14.5
177.08260	0.8
179.03511	1.5
183.10251	1.7
195.02997	3.5
196.03345	2.1
255.05153	6.3
256.05396	4.4
271.02429	2.2
275.02304	1.2
300.02881	5.6
300.99951	1.3
313.05609	1.5
346.13870	1.0
361.16589	8.0
383.26392	0.9
433.07556	6.2
459.18765	100.0
460.19077	11.0
463.21521	1.4
522.14063	2.0
522.21179	3.3
523.22882	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	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	4.3
57.03446	5.5
58.00588	1.7
59.01384	61.5
60.01707	1.1
61.86559	1.0
61.98835	12.3
65.85405	0.8
67.95200	0.9
69.27001	6.5
69.27408	2.4
71.01388	51.3
71.05015	1.0
72.99306	4.7
73.02950	9.7
75.00869	1.3
83.01401	6.7
85.02962	18.4
85.06593	1.3
87.00864	3.9
89.02447	38.2
93.03477	1.6
95.01389	5.9
97.06615	1.3
99.00893	2.3
101.02454	36.7
101.06071	1.2
103.04048	1.1
108.02185	2.5
109.02975	4.2
111.00875	1.6
113.02454	19.9
113.65273	1.0
115.07678	1.9
119.02748	1.3
119.03513	16.0
123.00874	3.9
123.04468	2.3
125.02463	7.7
129.01862	0.9
131.03474	2.6
135.04503	1.3
137.02437	1.6
139.00365	1.6
143.03502	5.6
149.04573	1.9
151.00383	2.1
152.00978	1.3
153.01939	2.6
153.05551	2.9
159.02998	1.9
161.04570	6.0
165.05507	0.9
167.10811	4.8
168.00633	1.5
169.01459	10.7
169.12285	1.1
179.03360	1.2
179.05664	5.2
187.11388	1.1
187.13400	3.5
190.02670	3.4
200.25424	0.9
201.14938	2.2
202.02823	1.0
211.02461	3.7
218.02133	3.3
221.76567	1.0
228.00528	1.2
229.01366	1.2
236.87569	0.9
243.43468	1.0
271.04556	7.2
271.22742	0.8
274.01190	15.5
275.01627	1.3
300.99835	1.5
331.06732	4.1
341.27026	1.1
359.14981	1.2
359.28040	35.6
360.28421	1.4
389.21924	1.3
399.09360	1.3
463.21725	1.1
484.73950	1.2
521.12933	15.0
521.20245	21.1
521.33264	100.0
522.13367	2.2
522.20526	2.2
522.33636	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	521.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22482	1.1
59.01138	1.5
59.01388	21.3
60.84744	1.4
60.99313	14.3
61.98837	8.2
71.61085	2.3
78.95927	3.0
88.98820	100.0
89.83152	1.5
126.40675	1.4
139.04027	3.1
161.36140	1.2
404.70688	1.6
409.02689	1.3
431.24353	17.4
432.24658	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14640	2.3
59.01372	8.7
61.30686	2.3
61.98826	7.0
71.59845	3.3
78.95899	3.3
83.25050	2.5
85.02920	4.4
88.98813	2.3
95.13598	2.3
96.96037	2.9
107.36783	2.2
125.02434	6.8
153.05563	5.6
154.92151	2.3
167.03484	2.4
196.45236	2.2
203.61015	2.5
205.79485	2.4
271.04535	3.5
406.19955	2.7
434.25516	2.8
448.52396	2.4
454.21906	2.7
485.32742	100.0
486.33112	13.0
521.26563	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	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37029	2.9
59.01373	7.5
61.98829	9.7
64.33586	2.6
82.79055	2.0
88.98867	3.7
93.57799	2.4
98.20731	5.2
116.92866	7.4
120.11019	2.9
138.57896	2.6
153.05650	6.0
153.62018	2.4
190.99460	2.7
251.57864	2.5
277.81372	2.3
435.85046	2.8
485.32761	100.0
486.32724	14.7
521.27350	7.7
533.27301	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	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
57.03460	2.3
58.00586	1.4
59.01384	34.8
61.98843	2.5
68.99839	0.6
69.03430	1.5
69.56490	3.8
71.01387	34.3
71.05000	1.7
72.99308	2.3
73.02955	5.8
75.00845	1.2
81.03426	0.7
83.01386	3.6
85.02951	9.6
85.06588	1.4
87.00885	2.4
87.04491	0.7
89.02451	26.8
93.03463	0.8
95.01389	2.9
95.05047	1.0
97.02949	1.1
99.00885	1.9
101.02453	17.8
101.06088	1.1
104.04331	0.5
104.04963	0.5
107.01378	1.4
108.02186	4.0
109.02972	3.0
111.00888	1.9
113.02451	9.8
115.07646	3.0
119.03519	5.2
122.03757	1.1
123.00948	3.1
123.04533	78.6
124.04876	1.8
125.02457	12.3
126.02831	0.6
131.03503	5.4
135.11812	2.1
137.02415	1.1
139.00366	1.1
139.04045	0.6
139.11331	1.3
140.01175	1.4
143.03505	1.4
149.04567	8.2
151.00397	1.9
152.01144	2.8
153.02080	2.8
153.05583	100.0
154.05917	3.7
159.03033	0.9
161.04623	2.2
161.09671	0.8
165.12866	1.0
167.10773	19.8
168.00594	3.1
168.11208	0.8
169.01437	13.2
169.12363	0.9
170.01787	0.6
179.05664	1.4
179.10794	5.8
187.13423	5.2
189.12733	0.6
191.05690	2.1
201.14984	2.9
203.10867	0.6
211.02496	11.1
211.04309	0.8
227.34674	0.5
233.06705	0.7
247.09784	0.6
271.04608	18.2
272.05069	1.1
293.08771	10.2
299.25894	0.5
313.05789	0.6
315.07590	0.8
315.11130	1.4
331.06613	3.8
357.26794	0.8
359.15344	1.0
359.28024	20.5
360.28784	1.5
363.20627	0.8
367.14392	2.2
461.06174	0.6
461.18869	0.6
477.21930	1.7
503.32706	0.6
521.20734	26.1
521.33240	58.5
522.20880	2.4
522.33594	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
57.03432	1.3
58.00579	1.7
58.49412	0.6
59.01383	29.2
69.41703	5.2
71.00992	1.0
71.01389	20.8
72.99304	2.1
73.02952	3.7
74.60941	0.6
83.01399	3.6
85.02957	7.7
87.00876	1.4
89.02446	11.3
95.01375	2.1
96.96050	1.5
97.02976	0.8
99.00890	2.1
101.02452	15.9
102.02817	0.6
108.02178	1.2
109.02969	8.5
111.00899	0.9
111.99373	0.6
113.02457	6.2
117.05584	1.8
119.03500	4.7
123.00906	0.9
123.04520	1.2
125.02438	2.8
130.06018	0.6
131.03389	0.6
134.03833	0.7
135.04530	22.9
136.04810	1.0
151.00418	1.1
159.03215	0.7
159.04539	3.7
161.02420	2.1
161.04567	0.9
163.03853	0.6
169.01425	2.2
172.05280	1.1
173.06129	3.5
179.03493	20.8
179.05225	1.1
187.07634	1.3
189.05573	2.7
190.06366	0.8
190.98885	0.6
191.07124	1.4
201.05632	0.8
203.07091	0.9
241.05156	6.0
253.05029	1.4
255.06639	3.7
263.07187	0.9
268.07373	0.9
269.08099	0.8
280.07321	1.0
281.08206	1.2
295.09738	2.1
296.10501	1.2
299.09323	3.7
311.09296	4.7
313.10764	6.4
323.07751	1.4
326.11551	4.2
327.12500	1.0
329.10181	1.7
341.13843	4.6
344.12616	20.2
345.13165	2.6
347.42709	0.7
359.15012	61.2
360.15274	4.8
407.00140	0.6
441.13861	1.2
458.17697	1.2
521.09534	5.2
521.20349	100.0
522.20709	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
60.01691	0.5
61.98841	4.3
71.01385	3.4
71.60149	0.7
72.99306	0.8
73.02958	1.4
74.99094	1.0
85.02955	1.6
86.71364	0.5
88.98811	4.3
89.02444	2.2
95.01449	0.6
95.45262	0.6
99.00874	1.6
101.02457	2.4
107.01352	0.8
108.02180	1.2
109.02966	13.9
113.02445	1.5
123.00903	1.0
123.04536	1.0
125.02457	3.8
130.52159	0.5
131.03506	0.7
135.04538	6.8
135.98331	1.0
137.02509	0.6
139.00415	0.6
151.00441	0.9
159.04536	5.8
161.02452	1.1
161.04593	1.4
169.01454	3.9
173.06102	4.3
179.03505	9.3
188.04691	0.7
189.05589	4.2
191.07111	2.9
196.23232	0.6
203.07176	2.9
209.06102	0.6
211.02324	0.6
225.05443	1.0
225.50113	0.6
240.04311	2.1
241.05084	9.6
255.06619	5.3
256.07303	0.8
267.06592	1.3
269.08215	1.9
269.10959	0.8
271.04572	0.6
275.02182	0.6
281.08380	0.6
295.09811	0.7
297.12360	0.8
298.08356	0.8
299.09232	7.7
300.09637	0.7
301.00015	1.0
313.10843	9.6
314.00629	1.9
329.10284	4.4
343.11981	2.6
344.12665	35.0
345.13074	1.9
345.69360	0.6
355.12909	1.3
359.15015	100.0
360.15347	11.3
431.14990	4.7
432.14874	0.6
441.14206	0.7
443.14453	0.6
446.25797	0.6
477.06952	1.0
485.16751	0.7
521.09552	1.3
521.20978	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
50.74190	0.4
59.01372	2.8
64.20662	0.4
69.30498	2.5
69.30918	1.5
71.01381	1.5
79.01881	0.6
83.49142	0.4
83.50885	0.4
85.02953	0.8
89.02467	1.2
92.87201	0.4
95.01417	0.5
97.02966	0.5
101.02437	0.9
107.01382	3.0
107.19505	0.4
111.00879	2.2
113.02424	0.8
117.25217	0.5
120.14550	0.4
123.00900	5.2
124.01676	2.1
125.02454	18.6
126.02797	0.5
127.00402	0.7
128.15610	0.4
136.98834	1.2
137.09735	1.6
139.00381	3.0
139.03989	0.8
140.01201	2.7
141.01961	0.5
151.00369	2.7
165.01947	0.7
167.03476	1.1
168.00645	9.9
169.01437	33.1
170.01801	1.0
173.80589	0.4
205.71930	0.5
211.02492	55.3
212.02869	2.2
241.03459	2.1
271.04608	100.0
272.04932	5.6
298.58762	0.4
331.06714	21.2
332.07092	1.2
370.44409	0.4
440.55765	0.4
486.92020	0.4
521.20349	16.6
522.20880	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05740	0.5
59.01384	11.3
64.97558	0.5
67.01912	1.0
68.99820	0.7
71.01389	9.5
72.99332	1.1
73.02950	1.9
74.16086	0.5
80.48728	0.6
82.28217	0.5
83.01388	1.7
83.37803	0.5
85.02971	4.0
87.00903	1.0
89.02464	4.4
95.01433	2.1
97.02959	1.0
99.00870	0.9
101.02451	5.0
107.01393	5.1
111.00899	3.8
113.02465	3.6
119.03530	1.4
123.00903	10.1
124.01661	2.8
125.02460	27.9
127.00381	0.7
136.98837	1.3
139.00381	4.1
139.04051	0.8
140.01186	5.0
141.01968	1.3
151.00394	5.6
161.04590	0.8
166.40897	0.6
167.03532	1.6
167.10753	0.5
168.00659	11.5
169.01443	43.0
170.01805	1.6
183.02982	0.6
186.90273	0.5
187.13371	1.0
196.02725	0.5
206.66414	0.6
211.02493	56.1
212.02803	2.0
241.03535	1.4
271.04614	67.0
272.04910	3.6
283.79395	0.6
331.06799	4.0
359.27872	4.1
521.20337	100.0
521.32208	14.7
522.20618	10.4
522.33344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25304	0.5
59.01384	0.6
59.09864	0.6
61.98835	0.6
75.67540	0.5
99.92583	8.5
116.92871	100.0
117.92907	4.4
125.02449	0.8
132.61226	0.6
149.68028	0.6
158.46431	0.6
220.03748	0.6
237.84651	0.6
263.70764	0.6
290.91049	0.6
299.35342	0.6
521.24921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88738	0.5
55.01878	0.7
55.72340	0.6
59.01379	8.2
71.01385	5.9
71.18317	0.5
72.99295	0.8
73.02961	1.1
75.00891	0.8
83.01374	1.6
85.02935	2.7
87.00878	1.3
89.02442	2.7
92.91075	0.6
95.01394	1.3
98.19877	1.0
101.02455	4.1
107.01398	2.4
108.02198	1.1
109.02960	17.9
111.00874	2.5
113.02441	1.6
117.79092	0.5
119.03472	1.3
121.02967	1.4
123.00939	3.4
123.04527	0.9
124.01656	1.4
125.02460	7.8
126.02827	0.5
127.23099	0.5
135.00923	1.2
136.05354	1.2
136.98743	0.7
137.02438	1.0
139.00363	1.9
140.01140	2.4
151.00343	1.6
151.04105	0.7
152.01164	5.5
153.01950	31.5
153.09201	1.3
153.55777	0.5
163.98659	0.6
168.00647	3.6
169.01434	13.7
170.01862	1.4
177.04077	4.0
193.05142	4.8
195.02994	7.4
205.12366	2.3
211.02451	2.9
212.02774	0.9
213.03041	1.2
241.03403	0.6
255.05107	5.9
271.04785	2.7
272.04962	2.3
273.05130	2.5
274.01135	0.7
275.37155	0.5
281.08075	0.9
283.09674	0.9
295.09729	0.8
297.06198	1.4
313.05701	0.6
314.11523	1.1
315.12225	0.9
326.11536	1.3
327.12360	1.2
329.05191	1.4
329.14001	1.5
341.13937	1.5
355.11777	0.6
385.11407	1.1
434.56906	0.5
435.58554	0.6
441.13684	1.0
473.14862	1.0
488.16599	1.2
491.19284	14.9
492.19672	1.3
503.19284	15.6
504.19394	1.6
514.99536	0.6
521.20300	100.0
522.20636	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38266	0.4
59.01114	0.7
59.01369	2.2
61.02684	0.4
67.01882	0.5
71.01375	1.9
72.32100	0.5
79.01898	0.5
80.27192	0.4
85.02969	0.9
89.02469	0.5
95.01372	0.8
98.19893	0.9
101.02445	0.9
107.01416	2.9
108.02187	3.5
111.00895	1.7
121.02973	2.2
123.00895	3.7
124.01688	1.7
125.02456	16.7
126.02728	0.5
127.00408	0.8
136.98828	1.0
137.09744	2.1
139.00371	2.0
139.03975	0.6
140.01160	2.0
151.00369	2.0
152.01157	7.2
167.03464	1.3
168.00647	9.9
169.01445	26.6
170.01802	0.8
211.02499	46.2
212.02733	2.3
241.03523	2.0
243.57506	0.4
263.05685	0.5
271.04599	100.0
272.04932	5.0
331.06723	18.2
332.07129	1.0
399.09201	3.3
521.12933	5.7
521.20380	16.8
522.20801	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	521.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
55.15842	0.4
59.01382	2.9
67.01884	0.6
69.47076	2.0
69.47504	1.5
71.01392	1.8
72.99318	1.5
81.02388	0.5
83.01421	0.7
85.02965	1.7
89.02451	0.6
95.01378	1.2
99.00873	0.5
101.02460	1.0
106.16586	0.6
107.01394	3.6
108.02182	54.1
109.02988	11.3
110.00094	0.8
111.00865	1.4
112.59309	0.5
113.02431	0.9
121.02964	24.6
123.00906	4.5
123.04567	0.6
124.01704	1.7
125.02452	16.6
135.04491	0.7
136.98781	0.6
137.02423	1.2
137.09738	1.2
139.00369	1.6
140.01172	2.0
141.01849	0.6
151.00365	2.3
152.01161	100.0
153.01840	4.5
155.82286	0.5
163.04012	2.0
167.03499	0.8
168.00648	8.4
169.01428	21.5
211.02489	34.3
212.02797	1.9
241.03554	1.1
271.04605	67.1
272.04904	3.4
273.05301	0.6
285.06052	1.3
331.06726	11.5
332.07428	0.6
399.09326	40.2
400.09497	2.6
492.51651	0.5
521.12994	72.4
521.20416	16.2
522.13251	9.1
522.20905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74261	0.9
59.01387	5.8
63.99874	0.8
67.52759	0.8
70.71972	1.0
70.72318	2.5
71.01389	4.1
72.99323	1.6
73.02949	1.9
75.00880	22.6
81.03455	2.2
85.02975	4.6
87.00896	1.9
89.02448	4.4
93.64302	0.9
99.00855	1.1
131.03499	3.0
137.32430	0.9
143.03505	4.5
161.04584	8.6
174.44878	1.0
179.05620	100.0
180.06013	2.2
223.93077	0.9
311.78558	1.0
341.10931	1.2
537.68604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17677	1.8
59.01384	8.9
60.99316	11.5
61.98842	4.7
66.77808	2.1
71.01377	7.7
74.99099	2.9
83.14383	2.0
84.01211	2.1
85.02944	3.3
87.00900	2.2
88.98812	74.0
89.02464	4.6
95.66248	2.3
96.96032	4.5
101.02421	6.5
107.01392	4.4
109.02965	15.5
111.00875	2.4
113.02447	5.7
117.05563	5.8
118.98112	3.7
123.00878	7.2
125.02452	47.4
126.42119	2.0
135.04535	19.4
136.98756	2.3
137.02426	2.3
151.00383	8.0
151.04027	2.2
156.26714	2.0
159.04520	4.9
161.02414	2.5
165.02000	2.5
169.01433	81.2
170.01735	3.7
173.06032	4.7
179.03508	19.9
189.05458	4.2
191.03423	2.0
191.07150	3.6
203.07149	2.5
211.02444	8.4
240.04405	2.7
241.05045	7.8
255.06638	7.9
269.11053	2.2
271.04681	14.8
299.09222	6.9
300.99817	6.3
313.02173	3.4
313.05685	50.5
313.11020	6.4
314.05856	2.8
329.10455	7.6
343.12000	3.1
344.12650	31.8
359.15018	100.0
360.15338	7.4
414.96552	2.0
431.11905	91.6
432.12457	6.2
521.09302	4.0
521.20654	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98845	1.3
70.62437	1.9
95.65931	0.7
96.96028	0.8
101.11121	0.6
104.83284	0.6
120.59008	0.6
123.16120	0.6
125.02537	0.7
139.04063	0.8
153.05612	1.2
175.90367	0.7
278.50787	0.7
365.59741	0.6
427.32721	0.9
434.22388	1.1
459.35159	2.6
501.32260	1.8
519.26477	1.2
519.33887	5.9
520.33356	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	519.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37202	0.5
59.01382	100.0
60.01718	1.0
61.98847	1.4
71.09328	0.7
71.09652	0.6
80.64459	0.6
96.96046	1.2
98.20273	0.7
102.24957	0.6
111.04595	0.6
111.73460	0.5
124.86913	0.5
125.02430	0.8
130.87270	0.5
153.05606	1.6
426.42838	0.6
434.22812	0.8
439.32108	0.7
457.33624	1.0
459.35104	2.3
501.32608	2.9
519.34015	5.6
520.34094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25520	1.6
58.65403	1.7
59.01383	100.0
61.98821	6.1
67.55055	1.9
69.51334	12.6
76.93052	1.8
84.46619	1.7
88.92817	1.6
98.19875	3.6
116.92879	4.6
134.04716	2.1
203.07300	1.8
214.58298	1.8
331.99451	2.1
408.43985	1.8
429.22726	3.8
448.29700	1.8
519.33008	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	521.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74958	1.2
59.01382	24.4
60.89774	1.2
61.98842	3.1
71.01388	22.3
71.05033	3.4
71.60871	1.9
72.99308	2.6
73.02950	4.4
83.01401	3.6
85.02948	7.0
87.00888	3.1
88.98786	1.6
89.02448	14.1
93.03467	1.6
96.96014	6.6
99.00891	2.1
101.02453	12.4
107.05065	1.3
109.02958	7.4
111.00938	1.5
113.02451	5.5
117.03448	2.0
117.05585	11.2
119.03502	3.3
119.05042	1.3
121.19668	1.2
123.00829	1.9
125.02441	6.2
125.41501	1.3
131.03490	3.4
133.02963	2.4
134.03752	4.4
135.04532	97.6
136.04890	3.6
137.09692	2.1
139.64748	1.3
145.02950	7.3
149.04550	7.7
150.03235	2.2
151.00349	1.3
152.01128	1.5
153.01949	1.6
153.09291	1.8
158.03729	1.4
159.04546	4.6
160.05319	4.7
161.02477	10.5
161.04596	2.3
163.04001	3.3
163.07683	1.9
164.04857	1.5
169.01440	6.7
170.01854	1.3
170.77318	1.3
171.98413	1.4
173.06100	2.5
175.07677	4.0
177.05676	1.9
178.06448	1.5
178.83617	1.2
179.03502	100.0
180.03838	3.9
187.00679	1.8
189.05579	1.5
191.05621	2.2
219.36819	1.4
268.11234	1.4
279.10898	3.3
301.82294	1.4
311.09409	3.2
313.05383	1.5
313.10794	2.7
329.13919	15.9
330.14172	1.4
341.05423	5.2
344.12546	11.5
359.15051	25.4
360.15436	2.0
379.27957	1.3
424.00803	1.8
431.15610	1.8
441.14017	16.3
442.13773	2.1
459.18777	2.3
521.09796	34.5
521.20416	52.6
522.09711	3.7
522.20441	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00734	0.5
51.51164	0.5
55.57962	0.5
57.03454	3.1
59.01376	4.3
61.98828	1.3
71.01383	1.9
71.05048	0.6
73.02950	7.2
81.03452	0.6
85.02958	1.1
96.96010	0.9
99.04523	0.8
101.02459	1.5
103.47827	0.5
113.02444	0.8
125.02447	1.0
139.04054	0.6
150.45773	0.5
167.03513	1.8
181.63551	0.5
236.35356	0.5
273.07712	1.2
304.03729	0.5
364.99466	0.9
375.26959	0.6
377.28668	1.0
380.01093	0.5
389.28583	1.9
392.27222	3.1
407.29453	10.3
408.29767	1.5
419.29486	0.8
439.32452	2.9
453.29785	0.9
469.29697	1.3
485.32736	100.0
486.33099	14.1
501.31885	2.6
519.05457	1.3
519.26318	2.2
519.33136	8.6
520.33081	1.3
529.31897	1.2
540.71045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3331
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
57.03449	0.6
58.22458	0.5
59.01384	13.9
59.89621	0.6
61.98827	1.4
69.53790	0.6
71.01389	4.5
71.05029	0.8
73.02948	2.2
75.29607	0.5
78.62317	0.5
83.01389	0.8
85.02933	3.1
89.02444	0.9
92.02900	0.5
99.00908	0.9
101.02462	3.5
107.05038	4.4
113.02466	1.9
117.03473	0.8
119.05073	0.9
121.02959	0.7
145.02983	3.4
151.04012	0.6
152.07173	1.8
161.04585	1.0
163.04002	0.7
175.11441	0.5
179.10756	0.8
223.86673	0.5
357.26559	1.9
373.18576	0.7
377.28577	1.3
389.28555	1.0
407.29346	2.9
434.26685	0.6
441.28860	0.8
459.30957	1.0
501.32346	8.5
502.32550	1.3
519.33032	100.0
520.22064	0.9
520.33398	13.6
548.83087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03455	5.5
58.00592	1.8
59.01382	37.8
61.98832	5.8
65.13716	0.5
67.01897	0.6
68.33085	0.5
69.03446	0.8
71.01386	48.3
71.05021	0.8
72.99330	3.8
73.02950	11.6
73.54096	0.5
75.00875	1.6
83.01387	8.9
85.02951	22.5
85.06597	0.6
86.00091	1.3
87.00877	15.2
87.04525	1.1
88.40182	0.6
89.02445	22.0
95.01402	3.4
96.95998	1.2
97.02967	1.5
97.06592	2.0
98.20673	0.9
99.00898	4.2
101.02447	31.8
101.06084	0.7
107.01357	1.6
111.00881	3.5
112.57832	0.5
113.02455	17.3
113.09720	0.8
119.03512	9.5
119.05018	2.3
121.10250	4.0
123.00890	1.3
123.04476	0.5
123.08183	1.1
125.02448	5.2
125.09698	0.7
127.11263	1.5
129.01958	2.0
131.03499	1.6
135.04605	0.8
137.09816	0.6
138.01904	0.8
139.00401	0.7
139.04007	1.6
141.01961	0.8
141.12909	0.9
143.03474	2.5
145.02940	1.3
149.04590	2.9
149.09618	0.9
151.00378	3.3
152.08447	1.3
155.10791	0.9
159.03017	3.9
159.87698	0.6
160.43327	0.6
161.04576	6.3
165.09201	5.1
167.03500	0.8
167.10770	5.3
168.00693	0.7
169.01445	5.6
169.12268	0.6
171.13885	1.4
177.01938	2.0
179.03542	0.7
179.05600	2.4
183.02957	1.2
183.13904	0.7
185.11798	1.0
187.13403	0.6
191.03873	0.6
191.05623	1.0
199.13341	1.1
200.14168	2.4
201.14949	1.6
211.02499	2.5
221.80991	0.6
227.16557	1.0
229.18027	1.4
232.13432	0.6
239.05602	0.6
271.04364	2.3
271.06183	3.9
283.14685	0.6
293.08777	1.5
297.24329	1.4
309.24350	1.2
313.05823	1.0
321.24356	2.2
339.25366	2.8
350.48477	0.6
357.26471	52.9
358.26630	3.7
359.27902	0.8
362.19550	0.9
372.20941	0.6
429.28732	2.0
491.06137	1.0
501.30133	0.9
519.18665	8.0
519.31738	100.0
520.11182	0.7
520.19373	1.1
520.32043	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	519.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.3
59.01383	6.2
61.98819	1.3
66.76918	0.7
71.01383	2.2
73.02949	6.3
83.05016	0.7
83.57747	0.6
85.02970	1.0
89.02517	0.7
96.96007	2.0
101.02402	0.7
103.92033	0.7
119.05021	1.2
125.02441	1.0
139.03922	0.7
153.05646	1.1
163.03943	0.8
227.06995	0.9
374.27225	0.7
389.28278	1.9
392.27173	2.5
407.29587	8.2
407.35547	0.9
408.29907	1.4
419.29568	1.4
432.34958	0.7
439.32104	0.8
455.28210	0.8
457.33627	1.1
469.29312	2.6
470.29950	0.8
485.32755	100.0
486.33078	12.8
501.32303	4.6
519.27203	1.8
519.33594	13.5
520.33612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.2
57.03463	3.5
58.00608	3.8
59.01384	72.5
60.01723	0.8
61.98833	9.7
65.00338	0.9
67.01894	1.1
69.03441	1.9
69.40004	2.0
69.40435	3.2
71.01387	62.3
71.05016	1.8
72.01711	1.1
72.99310	4.6
73.02953	9.5
75.00853	1.3
79.01891	1.0
81.03467	0.7
83.01386	7.9
83.05009	0.7
84.02200	0.6
85.02955	20.4
85.06573	1.0
86.00130	0.7
87.00883	9.3
87.04506	1.1
88.70504	0.7
89.02451	45.6
90.02804	1.0
95.01382	6.2
95.07631	0.6
96.96005	1.4
97.02942	1.5
97.06584	1.0
99.00891	4.3
99.04502	0.6
101.02452	44.1
101.06055	0.9
107.01385	4.9
111.00884	5.7
111.08266	0.7
112.92207	0.6
113.01696	1.3
113.02459	21.7
115.07666	6.3
117.05644	0.6
119.03510	21.9
121.02940	0.7
121.10265	1.0
123.00887	15.2
123.04515	1.4
124.01682	1.3
125.02452	18.2
125.09765	1.0
126.02808	0.8
127.00310	0.9
128.55971	0.6
129.01923	0.9
131.03494	2.4
131.07141	2.2
135.04541	1.0
136.98827	1.7
137.02411	2.1
139.00375	6.4
139.11261	3.2
139.29868	0.7
140.01172	5.0
141.01913	2.0
141.09200	0.9
143.03497	3.8
145.02974	1.5
147.04564	0.8
149.04559	2.7
151.00386	9.3
151.04004	1.0
153.01985	0.9
153.05536	0.7
154.43410	0.6
159.02960	2.2
161.04570	6.3
161.05919	1.0
163.04019	1.5
163.11334	0.8
165.09212	3.3
165.12866	0.6
166.02658	0.8
167.03522	3.3
167.10869	0.6
168.00652	8.1
169.01431	24.5
170.01830	1.6
171.13803	0.6
175.03940	0.8
179.03310	0.7
179.05629	5.7
181.05130	0.6
181.12334	0.7
183.10257	2.1
183.13878	1.7
185.11815	0.7
193.05022	0.6
200.14143	0.8
201.14919	1.0
209.04521	3.7
209.12045	0.7
211.02492	7.8
213.14949	0.9
225.18610	0.8
227.12891	0.7
229.17979	0.8
239.05768	1.0
243.12456	1.0
269.06653	1.1
271.04623	7.6
297.06128	1.8
297.24609	1.4
313.05606	1.8
321.24228	1.9
339.25412	2.6
357.26459	49.0
358.26758	4.0
375.27527	0.9
459.22253	1.2
501.30814	1.2
519.19305	67.1
519.31641	100.0
520.19513	10.0
520.32031	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	519.3177
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01875	2.7
57.03460	5.1
58.00584	1.7
59.01385	33.1
61.98827	3.5
64.38528	0.6
68.72701	0.5
69.30961	5.2
71.01390	36.9
71.05000	0.9
72.99297	1.9
73.02953	8.2
75.00893	0.9
83.01391	4.4
85.02959	17.6
86.91594	0.6
87.00878	4.8
89.02450	17.6
90.98454	0.5
95.01388	2.6
96.96037	0.9
96.96941	0.6
97.02952	1.4
97.06590	1.6
99.00891	3.2
101.01776	1.3
101.02451	21.1
111.00876	2.8
113.02457	14.8
119.03531	4.7
119.05006	0.8
121.10178	1.5
123.00854	0.6
123.04507	1.4
125.02433	2.9
125.09746	1.1
127.11283	0.7
129.01945	1.3
131.03497	1.2
134.03717	1.0
135.04501	0.8
136.05315	1.8
137.02463	0.6
143.03412	1.0
145.02942	2.7
149.04553	1.1
151.00334	1.0
151.11230	0.7
153.05566	1.3
155.10699	0.9
157.12350	0.6
159.03046	2.7
160.01686	3.2
161.02460	1.3
161.04544	5.4
165.09270	2.7
169.01408	2.6
171.13843	1.3
175.04024	3.3
179.03435	0.7
179.05585	1.2
180.07909	1.7
181.08727	3.9
185.11781	0.7
193.05171	1.0
200.14088	1.4
201.14912	1.8
211.02437	1.2
223.09715	1.1
229.18001	1.4
271.06567	1.0
293.08856	0.9
321.24405	0.7
337.09268	3.5
339.25385	2.1
357.26495	24.7
358.26645	1.8
362.19443	6.1
394.18408	1.8
443.90927	0.6
459.29846	0.9
483.18622	0.7
501.31253	3.8
519.18781	8.1
519.31842	100.0
520.19666	1.3
520.32184	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	519.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75677	3.7
69.66526	18.8
81.14734	2.8
90.85412	2.9
90.92660	2.9
99.92588	12.4
116.92072	6.6
116.92870	100.0
149.88200	2.9
160.45383	2.9
205.05714	2.9
238.76384	3.1
472.05826	3.6
533.72455	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	519.2748
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
57.03436	0.4
59.01373	0.6
65.03963	0.6
67.01882	0.7
69.03450	0.5
71.37280	0.6
81.03458	0.8
83.01379	2.6
93.03442	0.9
95.01409	1.1
95.05012	0.4
98.33736	0.4
107.05040	2.9
108.02152	2.8
109.02954	4.1
119.05025	0.8
121.02906	0.5
123.00877	0.9
123.04514	2.9
124.01653	2.5
125.02485	2.2
125.64836	0.4
133.02934	1.0
134.03749	11.5
135.00795	1.0
135.04527	1.0
136.01617	0.4
137.02437	9.9
138.02826	0.5
145.02919	0.5
149.02396	0.7
149.06091	6.0
150.03218	1.0
151.00330	0.9
151.04007	5.4
152.01143	1.8
159.04549	0.9
160.05275	0.9
161.06111	1.1
163.00369	2.4
163.03998	0.8
164.04715	0.6
165.01962	0.5
166.02676	1.6
171.04521	0.5
174.03139	0.6
177.02007	2.1
178.02725	1.0
179.03467	2.1
180.04277	0.7
185.06058	1.5
187.03975	0.8
188.04796	0.8
191.03500	1.5
192.04269	1.5
198.01645	0.5
199.07581	0.7
199.65294	0.4
201.05482	0.5
205.04968	2.6
207.06612	0.8
219.06599	0.8
226.06458	0.5
227.07098	2.8
228.07809	0.6
231.17548	0.5
233.08170	0.6
261.11359	1.2
269.08185	0.8
273.18607	1.3
273.64291	0.6
287.09232	0.9
287.12671	0.6
301.14478	0.5
313.14542	0.6
313.21698	1.2
339.19727	0.6
339.23346	3.8
341.17758	0.6
351.19727	0.6
355.19312	0.5
357.20734	2.7
367.19058	0.6
369.20685	29.5
370.20959	3.3
381.20630	2.2
383.22290	17.0
384.22723	1.8
395.22171	1.3
475.28479	1.7
478.02612	0.5
519.27496	100.0
520.27826	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	519.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25742	0.3
55.01871	0.4
56.33435	0.3
59.01385	5.2
65.00327	0.3
67.01897	0.5
69.03474	0.5
69.31241	2.8
69.31639	0.7
71.01382	4.0
72.99316	0.6
73.63683	0.3
83.01402	0.6
85.02962	1.0
89.02443	2.3
97.02967	0.5
101.02455	1.6
107.01395	2.9
111.00884	2.1
113.02476	0.9
119.03526	0.5
121.03033	0.3
123.00877	2.2
124.01628	2.7
124.02342	0.3
125.02451	24.0
126.02782	0.5
127.00368	1.2
136.98820	1.5
137.02405	0.4
138.03249	0.3
139.00377	3.0
139.04027	0.6
140.01181	3.3
151.00391	1.6
151.06117	0.8
154.99913	0.5
161.09727	0.7
163.97189	0.4
165.01915	0.9
167.03531	2.0
167.04753	0.3
167.99194	0.6
168.00647	14.9
169.01430	35.0
170.01785	1.1
179.10788	1.1
183.02943	0.5
187.11287	0.6
189.62260	0.3
203.10820	0.6
211.02480	64.8
212.02856	2.6
241.03503	1.3
271.04590	100.0
272.04919	4.8
295.10327	1.0
313.05838	0.4
313.11545	2.1
331.06726	14.4
332.06915	1.2
349.22733	0.4
356.09937	0.4
519.18787	17.3
520.19043	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	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00639	0.4
58.15002	0.3
59.01382	7.8
69.47315	1.8
71.01389	5.2
72.99350	0.5
73.02974	0.7
81.03472	0.4
83.01392	0.8
85.02975	1.3
87.00889	0.7
89.02448	4.4
89.02931	0.4
95.01408	0.5
97.02982	0.6
98.20600	0.5
99.21661	0.3
100.01783	0.3
101.02449	3.0
107.01402	2.9
110.45628	0.3
111.00903	1.6
113.02473	1.6
119.03528	1.6
119.04282	0.3
123.00897	2.3
124.01612	2.0
125.02454	22.4
125.40914	0.3
126.02757	0.4
127.00404	0.8
133.05077	0.6
135.11826	0.6
136.98830	1.2
137.02470	0.7
139.00371	2.4
139.03983	0.9
140.01161	3.1
151.00368	1.1
151.06136	1.9
159.08218	0.4
161.04506	0.3
161.09715	1.7
165.01935	1.0
167.03511	1.4
167.99196	0.3
168.00647	12.6
169.01428	30.3
170.01753	1.2
175.06168	0.7
179.05594	0.5
179.10802	2.5
183.02971	0.6
187.11360	0.6
191.20863	0.4
203.10793	1.0
211.02484	63.1
212.02921	2.1
221.11810	0.5
241.03564	1.2
271.04596	100.0
272.04898	4.5
295.10379	1.8
313.11423	5.0
331.06711	13.8
332.07080	0.6
475.21548	0.5
519.18890	15.4
520.19171	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	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03446	2.0
57.81585	0.4
58.00597	0.9
59.01382	14.2
60.86546	0.4
61.98835	2.7
63.61883	0.4
64.40217	0.3
67.01894	1.3
68.99828	0.6
69.03456	1.1
69.33399	1.4
69.33826	2.2
71.01385	14.0
72.99310	1.8
73.02932	2.6
79.01909	1.4
83.01397	2.7
85.02955	5.0
87.00879	3.0
89.02453	7.7
95.01379	3.1
97.02969	0.6
97.06593	0.5
99.00869	1.4
101.02448	10.2
107.01399	7.1
107.05027	0.5
110.00122	0.6
111.00886	4.1
113.02455	6.1
115.07649	1.1
119.03503	4.2
119.04958	0.9
121.02917	0.5
121.10253	0.6
123.00896	13.6
123.04542	1.9
123.08141	0.5
124.01645	1.4
125.02454	26.0
126.02775	0.6
127.00396	1.1
131.03517	0.4
135.04564	0.7
136.05263	0.6
136.98788	2.2
137.02463	0.7
137.09769	0.6
139.00388	5.9
140.01187	5.7
141.01917	1.8
143.03520	1.0
145.02971	0.4
147.08199	2.3
149.04604	0.7
149.09720	0.5
151.00385	8.7
151.04018	0.8
152.01137	0.8
153.01958	1.1
154.99794	0.5
159.03020	0.6
161.02473	0.9
161.04565	1.6
161.09731	0.7
163.04062	1.0
163.11270	1.2
165.09235	0.6
166.02724	0.8
167.03474	6.4
168.00639	8.6
169.01431	40.5
170.01796	1.4
171.08113	0.6
175.11327	0.5
177.04042	0.5
177.12845	0.8
179.03532	1.0
179.05583	1.2
180.04297	0.8
181.05101	1.1
183.13902	0.8
187.11266	3.6
188.08392	0.6
189.09218	0.9
190.09923	0.6
191.03497	0.9
194.02011	0.4
203.10760	0.7
205.12315	6.7
209.04567	6.9
211.02481	15.0
212.02855	0.5
239.05606	2.2
241.03522	1.3
253.03441	0.7
269.06699	2.8
271.04584	17.2
272.05002	0.6
297.06210	2.9
299.99060	0.6
313.05704	6.2
314.05942	0.5
357.26456	8.8
375.27560	1.3
396.82614	0.4
430.40659	0.4
501.31903	1.2
519.18719	100.0
519.31177	25.3
520.19080	12.4
520.31665	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	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17037	0.3
50.83027	0.3
59.01383	12.2
61.98833	0.6
71.01398	1.8
85.02974	0.9
89.02436	0.7
96.10344	0.3
101.02439	1.2
101.36340	0.3
109.02962	0.5
113.02438	0.4
117.03529	1.1
125.02416	0.8
137.02449	0.5
145.03009	0.4
161.04565	0.4
163.67807	0.3
165.01984	0.7
171.92838	0.3
213.05516	0.4
253.05029	0.9
254.05841	0.4
281.04559	5.0
282.05341	48.4
283.05692	3.3
295.06168	1.3
296.06723	0.5
297.07675	100.0
298.08041	7.3
314.04697	0.3
319.09738	0.6
339.08646	0.5
357.26212	0.4
459.13159	0.8
501.32303	0.8
504.40912	0.4
518.32251	0.6
519.33215	3.8
520.33044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91536	0.4
55.01879	1.2
57.03458	1.2
58.00605	0.9
59.01385	19.7
61.98834	8.5
67.01900	1.3
69.03458	1.1
69.45675	3.5
70.04172	0.4
71.01391	15.5
72.99316	1.9
73.02959	3.2
75.00883	0.5
77.09425	0.4
79.01901	1.1
83.01397	2.3
85.02954	5.0
87.00885	2.5
87.04494	0.6
87.37368	0.4
89.02455	9.4
93.03470	0.5
95.01405	2.9
96.96011	0.7
97.02928	0.9
99.00900	1.0
101.02448	11.3
103.68916	0.5
107.01395	4.2
109.02957	0.7
110.00102	0.7
111.00893	4.0
113.02470	6.4
117.05595	0.6
119.03508	3.4
123.00892	15.0
123.04515	0.5
124.01707	1.1
125.02456	20.5
125.27390	0.4
126.02853	0.5
127.00398	1.7
131.03535	1.0
132.02214	1.0
134.03777	0.8
135.04544	0.6
136.98817	1.9
137.02484	1.0
139.00388	7.6
139.04120	0.7
139.11273	0.5
140.01190	6.3
141.01961	1.3
143.03523	0.5
145.02943	1.2
149.04587	0.9
151.00391	8.6
151.01552	0.7
151.04018	0.6
153.02069	0.6
159.02965	0.5
160.01657	3.1
161.02399	0.9
161.04614	2.1
163.04099	0.7
165.09219	0.9
167.03539	1.0
168.00652	11.4
169.01436	26.2
169.23717	0.4
170.01802	1.2
175.03984	2.9
179.03517	0.5
179.05638	1.2
183.03233	0.4
183.10294	0.6
193.05121	0.7
200.05347	0.5
209.04588	0.6
211.02507	11.3
271.04617	9.3
272.04950	0.6
297.06207	2.7
299.12720	0.5
313.05737	1.6
327.18243	0.6
339.25491	0.8
357.13171	0.5
357.26498	6.5
358.26703	0.5
459.22363	1.5
475.33682	0.6
519.18866	100.0
519.30945	18.7
520.19226	11.6
520.32391	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
57.03445	1.1
58.00602	0.4
59.01385	9.4
61.98839	4.2
67.01888	1.3
68.99842	0.5
69.03450	1.2
69.38705	1.2
69.39120	2.3
71.01392	9.0
72.99315	1.5
73.02942	2.1
75.00877	0.5
77.05025	0.4
79.01878	1.3
83.01373	1.6
83.05025	1.9
85.02962	5.0
87.00883	1.4
87.57359	0.4
89.02448	4.6
93.03455	0.6
95.01390	3.8
97.02952	1.5
97.06610	0.5
99.00888	1.1
100.85049	0.4
101.02454	6.2
107.01394	5.3
109.02959	0.7
110.00103	0.5
111.00923	2.7
113.02467	3.5
115.03967	0.4
117.03474	6.2
119.03495	1.3
119.04998	1.5
121.02972	32.9
122.03280	1.2
123.00899	19.7
123.04485	0.5
124.01647	1.3
125.02460	23.0
126.02795	0.7
127.00350	1.3
131.03481	0.8
135.04506	2.1
136.98805	1.8
137.02435	2.1
137.09769	0.5
139.00395	6.6
139.04070	0.6
140.01186	4.9
141.01970	2.4
143.03508	0.8
143.57304	0.5
145.02971	23.3
145.92703	0.4
146.03285	0.9
147.08153	0.5
149.04552	1.0
151.00389	11.1
151.03998	0.9
153.01942	0.9
159.03024	0.5
159.68912	0.4
161.04559	1.8
161.06001	0.6
163.04065	2.3
163.07677	0.6
163.85059	0.4
165.01894	0.5
165.09190	0.5
166.99864	2.5
167.03543	0.5
168.00677	5.4
169.01439	27.9
170.01796	1.1
173.05998	1.0
175.04007	0.7
176.04721	1.0
177.04027	1.7
179.03502	1.7
189.05563	1.3
190.99709	0.5
191.07161	2.6
211.02510	3.0
217.05081	2.2
234.05502	0.4
235.06143	4.7
271.04688	3.6
277.07266	3.5
281.19522	0.4
287.84982	0.5
297.06055	0.6
299.99081	1.3
307.08121	1.0
313.05771	2.5
331.55591	0.4
337.09296	11.2
338.09576	0.7
357.26456	2.0
375.27798	1.0
397.11420	29.3
398.11646	1.8
457.17139	0.9
519.15033	100.0
519.25775	11.3
519.32611	9.2
520.15405	11.5
520.25928	1.3
520.32715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.5
58.99605	6.9
59.01386	11.9
60.99293	3.3
61.98833	4.3
63.25340	1.8
63.83640	1.8
65.76167	1.9
69.45875	2.6
69.46271	13.3
71.01380	14.4
72.99292	2.0
73.01176	97.3
73.02948	3.4
73.81765	1.8
74.01496	2.7
75.00864	1.8
83.01405	2.9
85.02945	6.0
87.00876	16.7
88.98799	11.2
89.02468	3.2
90.82448	1.8
95.01386	1.9
96.95994	4.2
97.02959	2.7
99.04510	2.5
101.02462	5.6
102.98600	24.6
107.01385	8.1
111.00906	5.0
113.02444	7.3
114.22126	1.7
116.92914	2.1
117.00177	9.8
120.99659	2.9
123.00895	17.1
125.02452	44.4
133.02905	2.3
135.02953	2.3
137.02396	2.2
138.41786	2.0
139.00375	6.1
140.01178	3.8
141.01961	3.1
145.02937	2.1
151.00414	11.8
163.04027	2.4
165.01959	2.5
167.03423	2.5
168.00613	11.9
169.01436	64.9
170.01761	4.6
186.56122	2.0
203.03546	3.2
211.02495	34.9
229.01328	3.7
231.02956	2.9
249.03975	6.0
249.06221	3.4
255.03038	2.2
270.22256	2.0
271.04605	65.9
272.04977	4.6
274.01147	3.4
275.01938	8.4
283.04977	16.3
300.99905	15.7
313.05740	16.1
331.06787	18.4
332.07013	2.6
341.71509	2.2
355.04871	2.4
357.08133	53.2
358.08353	4.0
367.07098	10.5
401.07199	23.2
402.07864	2.9
429.10382	8.6
435.06070	100.0
436.06134	8.7
457.02264	5.2
467.02521	2.3
476.96378	2.0
519.07294	23.2
519.14020	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	519.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67114	0.3
55.92343	0.3
57.03444	0.6
59.01384	8.5
61.98834	1.4
70.57570	0.9
71.01051	0.4
71.01390	5.1
72.99303	0.6
73.02941	1.2
83.01373	1.0
85.02969	2.0
87.00874	0.7
89.02467	1.5
95.01381	0.4
96.96027	1.2
97.02958	0.4
99.00871	0.6
101.02445	3.7
101.06069	2.1
110.97577	0.4
111.00864	0.6
113.02454	2.1
117.03481	4.1
118.03817	0.6
119.01145	0.3
119.03526	0.4
119.05045	1.0
121.02963	0.8
125.02463	1.6
133.02968	3.9
134.03754	4.0
137.02455	4.5
139.04019	1.7
145.02968	14.1
146.03326	2.8
147.03560	0.4
150.03230	0.6
151.00395	0.3
151.04016	0.9
161.02452	9.5
161.04576	0.9
162.02811	0.3
163.04013	1.3
164.04311	0.4
169.01465	0.6
173.09712	1.0
178.02704	1.8
185.11823	0.7
192.04300	0.4
193.05064	100.0
194.05394	3.8
223.13412	1.4
309.24390	0.7
317.43021	0.3
325.05920	2.2
327.25439	2.4
339.25372	1.8
357.22626	0.5
357.26508	6.2
358.27048	0.3
439.16098	19.1
440.16599	2.3
459.22522	0.5
464.34131	0.3
489.30582	0.6
501.30493	0.5
518.24976	1.7
518.31921	0.6
519.12134	6.1
519.25519	6.2
519.32056	35.7
520.12134	0.7
520.25885	0.6
520.32379	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	4.5
59.01384	15.1
61.98813	1.3
66.11328	0.8
69.81767	3.4
69.82184	1.5
71.01392	10.8
72.99313	1.4
74.53038	0.9
83.01418	1.5
84.04549	3.2
85.02953	11.0
87.00867	1.6
89.02451	6.2
95.01402	2.5
96.96024	5.5
98.06109	0.9
98.95583	0.9
99.00891	0.8
100.04059	3.3
100.07690	1.1
101.02457	7.5
107.01402	3.8
110.54639	0.7
111.00910	1.3
113.02459	3.9
114.09262	2.3
116.07162	2.5
119.03500	2.3
123.00883	3.5
124.07683	6.8
125.01620	1.3
125.02462	13.5
139.00375	1.5
140.07170	4.8
142.08739	1.3
144.06680	9.0
147.04515	0.9
151.00421	1.2
158.08263	7.6
160.09795	2.0
161.02440	1.3
163.04057	1.0
168.00681	3.1
168.06670	4.4
169.01439	15.4
170.83127	0.8
175.03976	1.5
186.07733	48.3
187.08089	1.6
191.03488	1.1
194.55984	0.8
201.01994	1.8
203.03481	1.6
204.08792	32.6
211.02502	9.0
214.04388	0.8
221.04514	1.1
229.01395	0.9
231.02985	2.1
245.00812	1.5
247.02412	2.3
248.03166	1.4
249.04039	5.3
250.04610	1.0
252.04376	1.2
257.00909	1.8
271.04602	9.7
273.00336	1.1
275.01935	4.1
300.99908	9.2
302.00177	1.5
313.05920	1.3
331.06537	1.0
348.13043	3.1
366.14050	70.8
367.14276	4.0
420.12354	1.9
473.05099	1.4
496.05783	1.2
496.56189	1.1
500.14011	5.6
501.14563	1.3
518.15167	100.0
519.15411	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	517.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65106	0.9
57.93058	0.7
59.01384	100.0
59.91404	0.8
61.98848	1.8
65.21707	0.7
65.80840	0.8
71.05024	1.0
71.60589	1.4
84.95130	0.9
96.95967	1.2
125.02463	1.1
134.95987	0.8
139.04047	1.0
153.05571	2.3
182.28419	0.9
199.75438	0.8
306.94046	0.8
319.65741	0.9
355.18988	4.4
457.33292	2.5
517.32074	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	517.39
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46140	0.6
59.01384	100.0
59.05531	0.7
64.44774	0.8
69.71788	4.0
80.56000	0.6
85.06600	1.1
96.96049	1.0
98.20666	1.2
125.02492	0.9
153.05582	7.1
163.44801	0.7
171.43860	0.9
192.01952	0.7
355.19275	1.6
375.56018	0.7
473.32755	1.1
517.32684	4.9
534.90900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25956	0.4
50.77484	0.3
52.40264	0.3
59.01384	1.0
59.96753	0.3
61.98844	0.5
65.60973	0.3
69.03470	0.7
69.94950	1.0
69.95360	0.7
71.01376	1.9
79.01921	0.4
84.27908	0.3
88.98794	0.7
95.01405	0.8
96.96017	1.2
97.02964	0.3
98.19911	0.3
101.02448	0.7
107.01398	2.3
111.00918	0.4
113.02425	0.6
116.05048	2.6
116.92865	2.9
123.00871	2.7
124.01659	0.6
125.02457	15.2
126.02869	0.7
136.98894	0.5
139.00410	1.2
140.01129	0.6
141.01962	0.6
151.00378	1.9
153.02075	0.3
159.03285	0.8
160.04050	100.0
161.04395	4.1
168.00664	0.8
168.77654	0.3
169.01433	22.0
170.01790	1.0
175.04051	0.8
204.03098	2.4
211.02481	1.0
249.04077	1.0
271.04602	1.1
275.02118	1.0
300.99820	1.6
313.05661	17.8
314.06015	1.0
316.03503	0.4
322.09341	1.9
366.08289	18.7
367.08569	1.4
429.09860	0.4
455.11118	0.9
474.10474	16.3
475.10623	1.0
517.19330	0.7
518.09375	21.0
519.09674	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	517.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
57.03452	1.1
59.01385	6.8
61.98837	2.6
71.01387	6.8
72.99309	1.1
73.02953	1.6
75.00880	0.5
83.01422	0.8
85.02950	2.7
85.82994	0.5
87.00885	0.6
89.02462	3.1
90.85988	0.4
91.87413	0.4
95.01411	0.6
98.55445	0.4
99.00890	0.8
101.02452	4.6
111.00945	0.6
113.02471	2.2
117.03481	27.5
118.03815	0.7
119.03574	0.9
119.05040	11.5
121.03043	0.8
125.02466	3.9
131.03494	0.8
143.03465	0.5
145.02971	100.0
146.03328	3.1
149.02516	0.7
149.04652	0.7
149.18282	0.4
161.04585	1.1
163.04028	13.3
176.03656	0.6
244.47200	0.5
267.12366	0.4
364.20886	0.5
455.31775	0.7
456.31552	0.5
473.32852	0.5
485.82925	0.5
517.24371	53.4
517.30615	4.3
518.24738	5.7
518.31470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01379	4.8
61.98831	2.5
67.56097	0.4
68.48739	0.4
69.03419	0.3
69.28349	3.7
69.46549	0.4
71.01384	4.7
71.05032	0.4
73.02965	1.4
83.01380	1.0
83.05001	0.4
85.02947	2.3
85.86302	0.4
87.00893	0.7
89.02448	2.2
95.01413	0.7
96.96051	0.9
97.02955	0.5
98.19829	0.7
101.02458	3.7
113.02456	1.7
117.03471	27.7
118.03811	0.5
119.05034	9.0
121.02982	1.0
125.02492	0.5
145.02959	100.0
146.03305	3.5
159.02919	0.4
159.81540	0.4
161.04590	0.6
163.04012	11.2
163.84897	0.3
169.01521	0.5
197.57501	0.3
209.15508	0.5
253.91017	0.4
271.06219	0.6
329.04614	0.4
355.24884	1.1
401.17831	0.4
473.32681	0.7
517.24329	57.0
517.30499	3.4
518.24805	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	517.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19957	0.4
57.03451	3.2
59.01380	3.6
61.98830	1.0
69.65940	2.0
69.66356	0.8
71.01380	1.5
71.08926	0.4
73.02948	7.9
78.32229	0.5
85.02940	1.0
96.96017	1.5
98.20575	1.0
99.04515	1.0
101.02449	0.7
105.37966	0.4
108.40823	0.5
120.07082	0.5
137.02438	0.6
153.05582	0.9
153.09242	0.5
159.04729	0.4
176.84363	0.6
189.12936	0.6
223.15099	0.5
227.63322	0.5
292.50385	0.4
365.28729	0.6
377.28711	0.8
389.28555	1.6
391.26147	0.6
392.27255	2.2
407.29535	10.7
408.29926	1.5
409.31268	0.7
419.29886	0.6
429.33804	0.7
439.32129	2.1
453.30167	1.5
455.27295	0.6
455.32297	0.7
473.32635	1.5
485.32733	100.0
486.33057	14.7
515.62946	0.6
517.32208	5.7
518.32098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
56.05380	1.6
58.00610	3.3
58.65101	1.6
59.01385	82.3
66.05312	1.7
69.03461	3.6
69.38156	1.8
69.58727	10.8
71.01386	78.0
72.99328	4.9
73.02944	14.8
79.97301	1.6
80.07137	1.5
83.01413	6.1
85.02966	12.8
87.00885	9.9
89.02448	100.0
94.42995	1.5
95.01392	2.6
97.02967	5.1
99.00891	1.7
101.02452	36.2
101.03083	2.6
111.00913	5.6
113.02448	13.1
113.06145	1.8
119.03551	4.0
125.02469	15.3
131.03510	43.3
131.04442	2.8
136.05360	3.0
138.06903	8.9
139.07677	2.5
143.03474	3.1
149.04567	57.0
150.04886	2.8
151.07709	6.6
152.08444	29.1
153.09233	30.7
154.09535	1.9
161.04567	3.1
163.11299	5.7
176.38507	1.7
191.05620	24.4
205.12354	49.0
205.14288	3.2
206.12711	3.8
223.13406	4.3
233.06744	5.1
293.09015	6.7
385.18884	4.9
385.73923	1.9
517.23083	60.1
518.23639	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
57.03440	7.4
59.01382	81.1
61.98832	17.0
63.68000	1.6
69.42918	12.1
71.01387	37.9
71.05021	15.1
72.99302	3.3
73.02948	15.9
75.00877	8.0
83.01398	4.3
83.05020	4.9
83.90912	2.0
85.02953	18.4
85.06601	2.8
87.00885	9.7
87.04493	4.7
89.02445	17.7
93.03459	4.9
95.01382	3.7
95.05023	2.7
96.96022	4.1
97.02940	2.8
97.06602	4.8
98.19889	2.9
99.00854	3.7
99.04518	4.5
101.02444	27.6
101.06091	8.0
103.04053	2.8
105.05555	2.7
107.05024	6.6
109.02988	2.4
111.00893	3.4
111.04543	2.3
113.02465	19.5
113.06154	2.7
117.05588	100.0
119.03487	6.8
119.04953	2.3
120.99644	2.5
121.02950	1.9
123.00873	6.1
123.04498	5.3
125.02447	10.9
127.03951	2.0
129.01935	3.0
131.03432	2.3
131.07141	7.4
134.03712	1.9
135.03577	3.3
135.04536	28.5
137.02414	4.2
137.09709	3.1
139.00372	2.6
141.09219	5.9
143.03517	2.6
145.02950	2.0
149.04489	3.1
149.06084	1.9
149.08151	2.5
151.00381	2.6
151.03870	1.8
153.05537	7.9
159.03047	3.2
161.02441	6.2
161.04515	12.9
161.09744	10.2
161.13329	6.4
163.07649	2.0
163.11250	6.0
169.01437	11.0
175.02585	2.7
175.03984	3.9
179.03532	14.7
179.10776	5.3
181.12387	13.2
183.10223	5.5
187.11295	13.1
189.09178	7.2
195.13879	5.0
197.11871	2.4
203.10651	2.2
205.12431	9.3
207.10223	4.8
214.96205	1.8
221.11848	2.3
223.13385	6.3
225.11362	31.7
243.12532	1.8
249.06183	2.7
249.11507	4.7
267.10645	7.5
267.12775	3.4
267.15820	3.6
269.27350	1.7
271.04547	2.6
274.50980	2.0
293.12390	5.3
297.13348	2.4
301.00006	4.7
311.09875	2.1
311.13428	2.5
327.14441	5.8
337.09427	3.8
355.11832	3.4
355.24948	3.4
443.31567	2.0
457.20978	3.0
499.21216	2.0
517.17303	13.3
517.22650	78.2
517.31067	6.3
518.23102	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	517.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48396	2.7
57.02672	2.4
95.86442	2.4
99.92591	7.7
116.92868	100.0
116.93701	5.0
117.92860	4.0
155.15532	2.4
170.76181	2.6
240.86575	2.1
249.08867	2.3
471.27451	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	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73302	2.2
55.01863	2.6
57.03433	2.7
58.00590	5.2
59.01383	100.0
61.98830	8.7
68.71439	2.3
69.03442	5.0
70.99913	4.0
71.00242	2.3
71.01388	86.2
72.99293	4.5
73.02949	13.3
75.00887	3.2
83.01387	6.2
85.02957	16.0
87.00887	8.1
89.01909	5.4
89.02444	87.8
90.79169	2.5
93.03441	3.0
97.02947	6.1
98.38042	2.4
99.00839	4.4
101.02449	38.5
101.06095	4.7
111.00890	2.7
113.02464	19.9
119.03483	6.7
123.00881	2.7
125.02460	25.5
128.03537	6.3
131.03510	24.7
134.03682	4.3
135.04532	42.7
135.11778	6.5
139.03973	2.9
143.03552	3.8
143.04655	6.9
148.05325	64.5
149.04575	28.9
149.05652	4.1
151.00383	3.0
159.08127	2.6
159.11787	2.9
161.04494	4.7
161.09720	11.4
163.07663	29.4
164.04747	2.5
169.01367	3.5
175.04062	3.8
179.03477	26.2
179.10799	33.5
191.05589	3.4
203.10751	7.8
207.10220	2.9
211.02597	2.6
221.11948	4.5
223.09654	8.7
233.06584	6.4
267.10822	3.9
272.08890	3.7
293.08826	41.3
293.12091	3.6
294.09067	2.8
306.07657	17.1
311.13660	12.4
325.12909	8.1
337.09088	7.7
341.08594	3.8
385.15067	6.0
473.20566	6.2
517.23853	24.1
518.22278	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03438	0.7
58.00591	0.9
59.01383	10.8
61.98825	1.9
71.01385	8.5
71.61031	1.0
72.99292	1.2
73.02945	0.9
74.03759	0.6
79.01881	0.9
79.95737	4.5
81.95316	3.6
83.01405	1.5
83.63354	0.6
85.02956	3.4
86.47899	0.5
87.00898	0.8
87.40301	0.5
89.02455	7.2
90.62802	0.6
95.01385	2.1
95.95232	1.5
96.96014	18.2
97.02950	0.8
97.06543	0.6
97.94832	1.2
98.95604	18.2
98.96411	2.7
101.02433	5.0
102.98000	0.5
107.01427	3.7
109.02987	1.5
110.97610	0.9
111.00888	2.2
112.97168	0.8
113.02441	2.9
117.05598	1.2
119.03484	1.6
123.00894	12.3
125.02451	16.1
125.41063	0.5
127.00378	0.8
131.03508	2.0
134.03777	0.9
135.04373	0.8
136.01653	0.9
136.98804	1.3
137.02344	0.8
139.00381	4.3
140.01218	3.1
141.01929	1.9
143.03564	0.7
149.04550	2.1
150.03215	1.9
151.00395	8.4
151.03880	1.6
152.01120	1.1
153.01981	1.1
161.02451	1.2
161.04507	0.6
165.05563	1.8
166.05907	1.1
167.03410	0.7
168.00676	4.3
169.01430	23.8
179.03560	0.7
181.05122	0.8
191.05708	0.7
195.06595	1.1
211.02481	5.9
222.69917	0.6
241.05028	0.6
243.05638	1.4
257.07578	0.8
271.04559	6.8
271.09735	0.9
272.10153	1.1
273.10245	0.9
300.09613	0.7
300.99869	0.9
313.05637	1.8
365.18173	1.4
426.43689	0.6
469.17761	1.8
487.07718	1.9
502.09915	0.7
514.28369	0.6
517.12280	28.6
517.19287	100.0
518.12244	2.2
518.19604	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	517.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.4
57.58138	1.5
59.01382	16.7
67.01893	3.5
69.03470	4.7
71.01385	30.7
71.30011	2.7
72.99316	47.0
73.02956	47.6
75.00870	1.7
78.95899	1.7
83.01399	6.6
85.02960	48.2
87.00877	8.1
89.02446	3.5
95.01385	8.2
96.96038	9.9
99.00893	12.6
101.02458	17.4
103.04044	2.3
113.02458	81.8
115.00374	9.6
129.01981	17.3
130.53856	1.6
131.03511	44.3
157.01433	19.0
157.35553	1.7
161.04568	2.2
175.02495	100.0
176.02809	2.2
179.05615	1.9
248.55713	1.7
337.01947	5.8
354.85721	3.4
449.21667	1.8
456.80109	3.8
457.11649	2.5
473.27090	1.8
517.14142	40.5
518.14380	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	516.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74435	1.4
59.01367	3.4
59.64912	1.5
61.98824	8.0
69.73132	9.7
71.01386	4.3
72.99303	2.1
78.97135	1.5
79.95746	7.6
85.02975	1.7
89.02461	2.7
95.01381	2.3
95.95228	3.0
96.96014	32.4
98.20621	3.1
98.95602	2.2
101.02464	2.1
107.01389	4.0
111.00867	3.1
113.02449	2.5
117.23048	1.6
121.02820	1.6
123.00898	14.5
123.04561	3.1
124.01656	15.1
125.02448	39.1
133.02968	1.7
136.98756	2.8
137.02382	2.2
138.03241	1.5
139.00397	4.5
139.03998	6.7
140.01109	2.0
149.02434	2.3
150.16820	1.6
151.00395	7.3
151.03960	3.4
160.01616	3.9
167.03552	2.7
167.40877	1.4
168.00655	7.3
169.01439	37.3
175.04008	6.7
177.01910	3.0
183.02966	6.1
193.05052	1.8
211.02504	2.9
225.04019	2.3
249.04094	1.9
271.04602	4.1
275.01865	3.6
289.07086	2.8
301.00125	7.2
313.05676	7.4
327.07199	2.4
361.73090	1.5
400.75989	1.5
453.10388	100.0
454.10489	10.4
486.06558	2.9
516.12195	21.0
517.12854	1.7
517.19232	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	516.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15596	1.4
61.98824	6.9
69.85992	7.1
71.01392	2.3
85.02948	1.6
96.96009	3.4
97.02979	1.4
98.20590	1.8
101.02463	1.8
107.01406	4.6
111.00920	2.4
111.92966	1.2
123.00886	12.9
124.01666	14.4
125.02457	25.5
136.98834	1.6
138.03265	1.7
139.00461	2.6
139.04031	6.9
140.01178	3.3
151.00372	6.8
151.32732	1.5
168.00650	4.7
169.01443	26.5
172.17258	1.3
175.03964	2.1
183.02911	4.6
234.67680	1.3
297.06372	1.5
313.05789	6.9
327.07150	1.9
453.10391	100.0
454.10620	10.9
516.12482	2.6
523.09937	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	517.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
61.20406	1.3
71.01420	1.3
71.59975	1.4
87.00918	1.2
89.02448	1.6
91.05492	1.1
92.34278	1.1
93.03505	1.6
95.01382	1.2
96.96026	5.4
99.00893	2.4
105.03470	1.9
107.05069	1.2
109.02953	1.6
113.02435	2.7
117.03481	1.5
119.05030	2.3
121.02966	2.7
121.06573	3.7
123.04559	2.0
125.02449	1.8
131.05069	1.9
133.06612	9.0
135.04527	5.8
137.02448	2.0
138.03148	1.6
143.05052	2.1
145.02910	2.5
146.03738	1.4
147.04510	1.6
149.02481	8.2
149.06079	3.5
151.04034	11.7
151.07564	1.6
159.04471	6.5
160.05249	1.4
161.02477	1.4
161.06093	18.8
162.03235	4.5
163.04008	27.2
164.04684	2.9
165.01945	4.3
175.04022	2.9
177.01915	2.7
177.05544	9.2
179.07133	17.3
187.04004	11.9
189.01953	2.2
190.02737	17.7
191.03470	4.4
193.01418	38.5
195.03004	2.9
203.03508	7.5
203.40547	1.2
204.04277	5.2
205.05066	70.5
206.05392	3.9
219.02892	1.5
221.04634	2.1
223.06108	5.8
231.02995	9.7
233.00826	3.5
235.02483	1.8
237.00520	2.7
247.02426	3.2
249.04059	41.1
250.04274	2.9
267.05203	1.7
275.02109	3.0
279.01196	1.2
293.03036	7.9
300.99957	2.0
309.02448	1.5
311.04092	1.6
337.02026	100.0
338.02396	6.7
351.89645	1.3
409.03992	2.3
411.09500	8.1
439.05115	3.0
455.08398	3.4
499.07349	44.9
500.07513	4.5
517.08356	9.8
517.15521	2.0
527.31757	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	515.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74754	0.3
59.01391	2.7
61.98833	0.6
69.28602	3.2
71.21571	0.3
75.98151	0.3
79.95708	0.3
94.98097	1.3
104.04950	0.4
115.34093	0.3
125.02473	0.8
139.04008	0.6
139.24898	0.3
153.05591	0.4
191.48285	0.3
262.78735	0.4
351.35159	0.3
363.26782	0.7
379.30023	0.9
407.29456	0.4
409.31479	0.6
437.30649	1.0
515.33801	100.0
516.26453	0.8
516.34186	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	515.3381
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
53.26302	0.3
59.01381	0.6
66.10876	0.3
69.49854	1.8
69.50266	0.7
74.98221	0.3
76.32957	0.3
96.96023	0.8
115.14742	0.3
115.26796	0.3
119.71487	0.3
125.02471	0.7
152.45760	0.3
200.78897	0.3
201.72528	0.4
214.87825	0.3
249.27792	0.4
403.00635	0.3
413.58487	0.4
480.95203	0.3
515.33813	100.0
516.34174	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	515.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25114	0.3
65.30059	0.3
69.27960	3.1
106.04268	0.9
107.05042	0.5
108.02152	0.4
124.39046	0.3
163.11299	34.3
164.11650	1.1
175.11304	1.6
176.12076	0.7
177.09253	0.5
177.12851	4.2
190.09993	0.9
196.19710	0.3
201.12637	0.3
207.10228	0.5
208.11026	3.0
267.13806	0.6
281.15445	2.1
282.16217	5.0
283.16946	6.1
293.15460	1.4
294.16159	0.4
295.16910	0.5
339.23285	100.0
340.23624	11.0
349.21863	0.6
351.23297	6.5
352.23520	0.7
515.35303	75.8
516.35687	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	515.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.00496	0.6
59.01379	5.6
60.57504	0.5
61.98839	5.7
66.76020	0.4
68.27047	0.5
71.01393	4.1
73.02949	1.4
85.02959	2.6
89.02467	2.4
95.01392	1.0
100.08258	0.5
101.02452	2.8
113.02451	1.6
117.03472	37.7
118.03781	1.1
119.05032	28.1
120.05390	0.9
121.02970	1.3
121.06590	0.7
123.00959	1.1
125.02457	1.8
131.05023	1.1
132.05812	1.4
133.06609	5.4
137.09718	2.1
145.02960	100.0
146.03322	4.5
147.74928	0.6
151.00381	0.9
159.04602	0.7
161.06100	17.1
162.06430	0.7
163.04024	37.9
164.04321	1.6
169.01466	1.0
177.05614	6.7
183.02997	0.6
187.04039	2.0
205.05067	30.6
206.05376	1.4
217.05180	0.6
221.11841	0.8
235.06131	30.8
236.06400	2.3
265.07175	68.5
266.07510	3.4
284.98163	0.7
288.82269	0.6
307.08206	1.0
325.09283	7.9
437.53091	0.5
460.67755	0.6
471.32700	0.6
515.24524	8.2
516.25012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01383	18.7
61.98837	19.7
65.23822	1.0
69.62027	6.5
71.01391	10.3
72.99330	1.0
73.02950	3.9
79.95782	1.3
83.01390	1.8
83.05048	1.2
83.71734	1.1
85.02964	4.6
85.06642	0.9
85.30269	1.0
87.00871	2.2
89.02451	4.5
93.50130	1.1
95.01441	1.6
96.96022	12.8
98.59447	1.0
101.02432	6.8
113.02469	3.5
113.06088	1.9
117.03471	28.6
119.05034	50.0
120.05367	2.7
121.02969	3.6
123.00904	4.2
123.04517	1.9
125.02454	7.3
131.04964	1.1
132.05830	3.2
133.06606	12.2
134.06897	1.0
135.04582	1.1
138.01962	1.9
139.00417	1.6
139.04073	1.0
141.09241	1.1
145.02962	100.0
146.03299	4.8
146.17766	0.9
149.06128	1.5
151.00388	3.4
152.00919	1.2
153.05591	2.2
161.02455	1.1
161.04749	1.1
161.06094	31.7
162.06462	2.4
163.04018	56.9
164.04378	3.2
165.01917	1.1
169.01456	6.6
171.62726	0.9
177.05544	8.2
187.04044	4.4
191.14505	1.3
200.64085	1.0
205.05083	40.3
206.05380	3.3
235.06116	38.6
236.06490	2.3
259.99619	3.2
265.07175	92.9
266.07590	4.9
267.07761	1.3
325.09317	7.6
353.23422	1.3
436.53476	1.0
452.23810	7.9
471.33432	8.1
514.98920	2.2
515.14789	2.4
515.24841	19.1
515.31354	2.0
516.25256	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	515.2132
Annotation	hesperadin
Peak:m/z	Relative Intensity
55.01894	0.8
57.03455	1.6
58.00618	0.6
59.01384	6.0
60.99320	0.6
61.98843	1.9
67.01902	1.0
69.03490	0.8
71.01389	6.2
72.99318	1.3
73.02963	1.4
75.00897	1.5
79.01923	1.7
79.95763	0.7
83.01405	1.9
85.02952	4.2
86.86212	0.4
87.00868	0.6
88.98841	1.9
89.02424	2.4
89.96717	0.5
95.01414	2.1
96.95995	2.6
97.03004	1.4
98.20636	1.2
99.00910	0.7
101.02454	4.8
101.52460	0.5
107.01399	5.5
109.03004	0.7
110.00098	0.5
111.00885	3.0
113.02444	2.5
119.03545	1.0
119.05045	2.5
120.99682	0.7
123.00892	15.2
123.04516	0.5
124.01720	1.7
125.02452	29.3
126.02776	0.9
127.00422	0.9
135.38414	0.5
136.98880	1.8
137.06108	0.6
139.00368	5.5
139.01233	0.5
140.01189	3.6
141.01976	1.9
151.00368	11.2
151.04033	0.5
153.01974	1.2
153.05638	0.6
163.04036	2.9
165.05472	0.5
167.03571	0.6
168.00650	4.8
169.01431	42.6
170.01807	1.4
177.04068	5.0
177.05382	0.6
179.03494	0.7
183.10486	0.6
201.05672	1.0
201.11275	0.6
211.02493	5.7
245.01129	0.6
253.03532	1.1
271.04654	7.4
275.02170	1.4
300.99899	1.2
302.00671	0.6
313.05612	3.7
329.05301	0.9
331.06738	0.9
357.48761	0.5
363.16730	3.0
371.09735	5.8
485.20657	1.3
497.20398	11.4
498.21115	1.9
515.21667	100.0
516.22150	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	515.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.6
59.01388	63.6
61.98840	44.9
71.01392	28.6
71.04990	1.7
72.99306	2.6
73.02943	7.7
75.00857	2.0
79.95715	6.1
80.89227	1.4
81.03432	1.7
83.01358	4.9
83.05003	3.9
85.02961	30.2
87.00894	7.5
87.04472	4.4
89.02453	19.3
92.86164	1.6
93.95361	2.0
96.96024	9.8
99.00846	2.8
99.04485	2.7
101.02459	23.3
101.06046	2.2
103.04023	50.2
107.05030	1.8
111.00842	2.1
113.02468	9.5
113.06027	2.6
117.05545	3.4
119.03485	9.1
121.02915	2.3
123.00880	2.9
125.02374	6.7
135.04482	2.5
139.03999	2.9
139.07568	2.0
141.09167	1.8
145.02888	2.5
145.04990	2.4
146.02061	1.6
151.00273	2.9
153.05518	1.7
154.84386	1.7
161.04520	3.6
161.09651	4.1
161.13295	2.3
163.11223	2.4
165.18704	1.7
168.01515	1.8
169.01320	6.0
176.03362	2.3
179.10724	4.3
187.11160	5.8
187.12991	1.5
189.09134	3.1
205.12221	4.1
207.10188	2.8
209.11551	2.1
223.13414	13.9
247.08199	2.1
249.11092	2.9
265.09323	74.7
266.09494	3.3
267.12320	12.4
307.10355	12.6
309.11807	2.9
339.08893	3.4
339.13870	1.5
369.15164	4.6
373.10861	1.7
429.17136	7.0
452.23654	9.8
453.21243	4.6
455.18817	4.2
471.22562	9.9
471.33282	8.9
497.19211	1.8
515.20935	100.0
516.21490	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	515.2134
Annotation	hesperadin
Peak:m/z	Relative Intensity
57.03446	5.1
58.00599	1.7
59.01383	49.3
61.98831	7.3
62.41698	1.1
69.03475	2.2
69.49821	4.8
69.50247	3.5
71.01386	26.0
71.05023	1.4
72.99326	4.1
73.02976	4.6
74.41162	1.0
75.00877	2.0
76.42461	1.2
80.96535	2.8
81.03456	1.1
83.01414	3.0
83.05033	2.4
85.02957	22.3
87.00886	4.9
87.04538	1.8
89.02452	21.8
94.98132	1.3
95.01382	1.8
96.96040	2.0
96.96861	1.0
97.02956	1.5
97.06628	2.5
99.00947	1.2
99.04563	2.0
101.02452	15.6
101.06078	1.1
103.04017	39.9
107.05023	1.5
109.02970	1.2
111.00968	1.1
111.04560	1.7
113.02472	11.9
113.06073	1.4
117.05584	2.2
119.03503	11.9
121.10248	1.5
123.00880	1.2
123.08140	1.3
125.02489	4.6
127.04023	1.4
129.01967	1.3
129.05618	1.1
131.03488	1.7
133.10202	1.4
135.04602	1.9
135.11835	2.2
137.02429	2.1
141.09311	1.5
143.03539	1.3
145.05112	1.7
147.06641	2.8
149.04639	1.2
149.09787	2.2
152.01096	1.4
159.08150	1.3
159.11768	1.6
161.04587	4.9
161.09709	11.6
161.13417	4.3
163.11275	2.0
169.01447	3.5
175.11301	2.0
177.05611	1.1
177.12881	1.4
179.05663	3.8
179.10800	10.8
187.11339	4.5
189.09250	2.1
193.12367	4.4
203.10797	14.4
204.11055	1.1
205.12265	5.3
221.11916	4.9
223.13362	9.4
224.13643	1.3
225.00751	1.2
249.11638	1.3
251.12996	1.7
263.12936	1.3
265.09274	70.5
266.09668	2.5
267.12256	6.6
281.14087	1.7
283.10233	5.6
289.07208	1.3
307.10266	1.7
309.08405	9.2
309.12057	4.7
369.15738	4.2
413.25629	1.4
429.17673	6.5
453.21695	2.0
455.19577	3.4
471.23828	1.4
471.29288	1.6
497.20731	2.0
515.21552	100.0
516.21869	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.2
59.01389	8.9
61.98830	2.5
70.17789	6.6
71.01373	3.1
73.02969	1.9
81.03451	3.3
85.02916	1.7
93.03469	4.3
95.01391	1.6
96.67901	1.7
96.96007	10.6
97.02956	1.7
98.19912	1.7
99.04528	12.8
101.02440	5.8
101.61414	1.7
113.02515	2.5
121.02965	6.4
122.03760	17.0
123.00900	5.2
123.04559	3.1
125.02473	13.1
133.02916	3.9
134.03761	11.9
135.04529	3.2
136.01669	31.7
137.02361	2.3
147.04526	1.8
149.02466	20.1
149.06104	5.0
150.03230	97.1
151.00340	4.1
151.04027	33.4
161.02477	2.5
163.03987	3.0
164.04802	3.6
165.05577	100.0
166.05891	3.5
168.00555	2.6
168.32579	1.7
169.01410	15.3
175.03975	3.3
176.61665	1.6
178.06296	2.1
179.03435	1.8
180.04224	6.5
181.05075	4.2
188.04810	4.3
190.06380	3.8
195.06644	67.7
196.06824	2.5
203.07211	2.9
205.08685	7.5
211.02458	4.7
213.05563	9.5
223.04080	2.6
223.09755	4.2
237.07658	4.7
241.05078	45.5
242.05383	3.2
249.07843	3.0
255.06445	3.0
256.07425	29.5
257.07834	2.2
267.08789	3.7
271.04547	6.4
271.09756	78.6
272.09909	4.4
299.09235	7.1
301.00055	2.3
313.05450	2.5
319.11841	5.1
405.15643	2.6
465.20563	1.8
467.17230	9.7
497.17419	1.9
515.04871	2.0
515.10864	2.8
515.17651	38.4
516.17639	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	515.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36596	0.8
55.01860	1.3
57.03474	1.0
59.01385	29.5
60.99287	1.5
61.98819	3.7
62.91895	0.9
66.35387	0.9
69.03426	1.6
69.80012	5.0
71.01385	19.3
71.04976	1.8
72.11125	0.9
72.50300	0.8
72.99302	2.1
73.02957	1.3
75.00865	1.0
78.83881	0.9
79.95734	1.9
81.03455	0.9
83.01380	2.7
85.02959	6.2
87.00874	2.0
88.98814	9.4
89.02455	19.1
95.01360	3.1
95.95206	1.1
96.96011	14.7
97.02930	1.3
98.19960	1.6
98.95555	1.0
101.01788	1.1
101.02446	12.7
107.01417	5.7
109.02898	1.5
111.00874	1.8
113.02448	7.4
117.05600	7.4
117.74251	0.9
119.03499	6.9
121.10248	7.1
122.99198	1.8
123.00892	11.3
125.02446	26.1
126.11653	0.9
136.98863	0.9
137.02432	2.3
139.00322	3.9
139.03986	1.0
140.01131	2.0
141.01851	1.5
143.03514	0.9
145.02921	1.1
146.04610	1.7
149.02429	1.4
151.00360	7.3
151.03983	1.7
161.04630	1.0
167.03471	1.7
168.00650	6.8
169.01428	30.6
170.01654	0.9
179.05588	1.0
183.10226	5.3
190.02695	0.9
191.03337	1.1
201.11296	1.5
211.00677	1.6
211.02481	21.1
221.11931	1.0
226.47943	1.0
271.04590	36.1
272.04843	2.0
275.01813	1.4
300.02628	2.0
300.99750	2.9
313.05508	3.5
331.06732	6.8
337.09311	2.0
363.12634	1.4
363.16641	17.9
369.12900	1.0
397.11252	3.7
433.07437	2.0
466.02609	1.1
497.16507	1.7
515.17584	100.0
516.17798	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	515.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08092	1.8
57.03479	1.9
58.00608	3.3
59.01385	45.9
62.15623	1.7
69.40931	13.8
71.01389	36.5
72.99303	3.4
73.02959	7.7
75.00864	2.4
79.95742	2.6
83.05067	2.6
85.02943	9.1
87.00880	4.5
87.44522	1.9
89.02453	42.1
93.03476	15.2
95.01400	1.9
96.96019	100.0
96.96971	3.7
99.00895	3.2
101.02474	18.9
105.49761	1.9
111.00890	3.1
111.04544	6.0
112.98833	5.2
113.02448	17.8
119.03516	15.9
124.98996	2.5
125.02496	2.7
129.01970	3.7
131.03535	3.3
137.02452	5.7
142.99841	13.3
143.03479	4.5
149.04608	2.8
155.03522	3.3
161.04555	5.2
173.00919	7.9
173.04556	28.4
179.05608	25.4
189.08324	1.8
271.04602	3.6
280.67377	2.0
341.10901	98.6
342.11234	4.5
417.10101	9.1
515.15485	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	515.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73553	3.3
65.91262	3.2
71.61204	4.0
90.93517	3.2
99.92593	11.2
116.92867	100.0
123.08131	3.6
125.06134	3.1
153.29436	3.1
153.40529	2.8
195.58865	2.9
227.16495	2.9
301.21799	4.8
458.06546	3.0
471.31168	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	515.1231
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
67.55772	0.4
68.49886	0.4
69.46909	3.5
79.95742	22.2
80.96504	0.9
83.77125	0.4
86.36978	0.5
93.03448	0.6
95.28227	0.5
95.95240	10.4
96.96014	100.0
101.02461	0.5
110.97594	7.0
113.60073	0.6
121.02970	1.5
122.03741	1.4
123.00932	0.5
124.01653	0.7
125.02502	1.0
133.02850	0.6
134.03735	6.1
135.04501	1.5
136.01677	6.0
137.02443	1.9
138.03198	0.7
139.03993	0.6
141.95776	0.9
149.02457	3.7
149.06114	3.2
150.03241	12.5
151.00362	0.8
151.04022	7.1
152.04765	0.7
153.05594	1.0
161.02444	0.6
164.04817	0.8
165.05576	10.3
166.02730	0.6
167.00179	2.4
177.02022	0.6
181.05045	1.4
183.69972	0.5
185.06140	0.5
191.07135	0.6
193.05080	0.5
195.04962	0.8
195.06624	6.1
207.06604	0.8
212.04765	0.5
213.05585	2.1
223.04033	0.7
241.05052	8.9
242.05531	0.6
253.04959	0.9
255.06538	0.7
256.07431	7.7
257.07928	0.6
271.09753	17.0
272.10046	0.8
284.06940	1.0
285.07724	2.1
289.03842	1.3
299.09296	3.5
319.11942	1.2
361.06265	0.7
375.10800	0.6
405.11887	1.6
429.08377	0.6
452.13016	0.8
457.08081	0.6
467.17117	8.6
468.17279	0.8
485.07535	4.0
500.10004	3.7
503.97241	0.5
515.12274	86.6
516.12573	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	514.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51794	1.1
54.68857	1.1
57.03442	3.1
59.17066	1.2
61.98834	49.1
69.96919	5.3
81.03473	3.0
83.01389	3.0
85.02937	4.0
95.01384	2.2
98.19906	1.6
100.84486	1.3
114.99963	1.2
124.01616	2.0
125.02455	45.8
126.02791	2.0
130.52800	1.2
139.00531	1.1
151.00333	2.1
152.01181	3.1
166.02715	4.6
179.03445	4.9
193.05075	1.2
235.09772	2.2
265.38831	1.2
278.94580	1.0
291.16168	1.9
373.01978	1.1
451.23367	100.0
452.23618	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	514.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04039	0.2
59.01376	0.4
61.98836	100.0
85.68804	0.2
88.17347	0.2
106.83359	0.2
125.02472	0.3
169.01427	0.2
300.99997	0.2
454.34134	0.4
515.17938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98499	1.1
59.01379	4.2
61.98830	22.3
71.01395	5.5
71.60808	1.2
73.02969	1.9
85.02940	1.6
86.45193	1.4
95.01414	1.5
96.96056	1.7
101.02493	2.9
107.01397	4.7
108.02197	12.6
111.00905	1.2
123.00912	7.6
124.01747	1.3
125.02448	35.8
135.04514	3.4
136.05371	1.4
138.01974	100.0
139.00357	2.9
139.02296	2.7
151.00345	5.6
153.02008	1.8
161.04561	1.3
163.33342	1.1
164.01094	1.5
165.05598	1.5
168.00591	2.8
169.01434	55.4
170.01727	1.8
211.02505	3.3
221.11884	1.5
241.03838	1.3
260.52048	1.7
271.04648	2.7
275.01947	4.1
301.00015	3.3
313.05658	57.5
313.09323	2.9
314.05884	3.9
452.08304	90.4
453.08389	7.2
466.02780	3.7
471.63718	1.4
515.18524	4.2
516.55005	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	514.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72263	0.8
56.23246	0.9
57.03455	3.4
60.12062	0.8
60.72881	0.9
61.98835	46.0
71.37016	2.1
76.99014	0.8
80.12682	0.9
81.03461	3.7
83.01405	1.4
84.00066	0.8
85.02960	3.2
88.96236	0.9
95.01392	1.3
118.36812	1.0
121.64204	0.8
124.01695	1.3
125.02454	40.6
133.70769	0.8
144.88649	1.1
152.01183	2.2
166.02725	3.0
179.03476	2.5
204.43756	0.9
205.16098	0.9
221.08276	1.4
235.09729	1.9
247.17017	2.7
291.16071	1.3
451.23389	100.0
452.23743	10.3
477.34442	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	514.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
59.64566	0.4
61.98831	6.5
69.03455	0.7
71.01380	2.7
71.61204	0.6
73.02962	0.7
73.96215	0.4
83.01384	0.6
85.02953	1.9
87.00887	0.5
87.04482	0.6
89.02458	1.4
90.98608	1.3
92.05067	3.2
96.95980	1.1
97.02963	2.2
101.02496	2.2
102.03489	1.6
103.04032	0.8
108.02192	2.1
109.02943	0.9
113.02442	1.0
115.07650	0.9
117.03512	1.1
118.03014	1.4
120.04562	2.0
121.06555	0.5
123.00887	0.5
125.02431	2.3
127.04029	1.5
134.03743	7.8
135.04507	1.6
135.11790	0.7
136.03970	0.5
141.09207	0.6
144.04607	1.0
144.35143	0.5
145.02974	0.5
146.02496	5.7
147.03252	2.0
148.04060	4.9
148.05231	0.6
149.06111	0.6
151.00342	0.7
152.01160	5.0
158.06070	0.9
160.01688	1.4
161.02422	0.7
161.13403	0.6
169.01450	2.8
170.01794	0.5
170.56421	0.5
174.01996	1.2
174.05638	0.7
175.02747	46.2
175.03896	1.9
176.03529	100.0
177.03903	4.1
179.03496	1.8
179.10808	1.8
180.11079	0.6
186.05641	0.9
188.03543	1.5
193.05089	3.4
207.05054	0.8
283.02924	0.7
283.10269	1.0
309.12021	0.6
313.05682	0.7
320.07614	0.7
337.09299	1.4
338.08813	91.7
339.09183	5.9
399.09171	0.6
427.18060	0.6
470.32715	0.5
471.22217	1.7
477.14728	0.8
478.14417	2.5
514.13501	11.3
514.20404	1.5
515.18958	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86321	1.1
54.77191	1.0
59.01368	3.3
60.99310	16.8
61.98832	4.0
78.95911	1.2
88.98811	100.0
92.17649	1.2
96.96066	1.0
99.04526	1.4
125.02444	5.8
139.04018	1.5
153.05556	1.5
165.01920	1.2
254.18808	1.1
344.51297	1.2
349.00665	1.1
355.02097	1.1
357.20685	2.1
379.18860	3.2
402.72183	1.4
411.17755	1.5
423.21872	1.5
423.27512	24.1
424.27835	2.5
513.24561	3.8
513.28473	2.4
513.35901	29.9
514.36005	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06743	0.1
55.01892	0.2
57.03470	0.2
58.00616	0.3
59.01381	6.7
61.98854	0.2
62.23771	0.1
69.03498	0.2
69.41795	0.1
71.01385	4.7
72.99316	0.3
73.02948	1.1
83.01423	0.5
83.05042	0.3
85.02960	1.4
87.00870	0.7
89.02447	4.0
89.98865	0.1
91.04054	0.1
91.44709	0.1
95.01418	0.4
95.10972	0.1
97.02975	0.1
99.00922	0.3
99.04549	0.2
101.02446	4.6
103.04025	0.2
109.35462	0.1
111.08201	0.1
113.02457	2.2
115.04048	0.1
119.03493	1.1
123.08212	0.3
125.02495	0.4
127.07651	0.2
131.03508	0.2
133.05124	0.2
139.04044	0.1
141.09236	0.9
143.03532	0.3
144.20528	0.1
157.05112	0.2
161.04582	1.7
173.99699	0.1
179.05646	0.8
205.19649	0.2
210.75667	0.1
233.22809	0.3
235.08215	1.0
253.09299	15.9
254.09714	0.7
259.20755	0.3
275.20227	0.4
277.21725	100.0
278.22070	7.9
345.20685	0.4
425.36432	1.4
469.26270	0.2
513.24799	0.3
513.36322	0.8
514.35931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47239	1.4
55.01878	1.4
57.03449	5.3
59.01389	37.0
67.01881	6.0
68.99802	1.6
70.26134	2.7
70.26527	3.5
71.01388	57.1
72.99308	2.1
73.02950	6.2
77.55846	1.3
80.90945	1.4
83.01373	4.1
85.02961	44.2
87.00890	8.2
88.01230	1.7
89.02433	2.3
95.01382	4.3
96.96028	1.9
97.02928	1.6
99.00888	2.3
101.02422	8.8
109.02923	2.4
111.00880	6.9
113.02457	50.4
121.65004	1.4
125.02460	1.7
129.01959	2.4
131.03514	18.2
137.02432	1.6
139.00420	2.9
157.01413	2.8
163.04082	1.9
173.04614	2.5
175.03989	2.0
189.02046	2.8
189.04086	5.1
191.03484	7.4
201.02269	1.8
201.04070	4.4
203.03532	2.5
207.05106	1.8
217.01373	1.5
219.03226	1.6
229.01511	3.5
231.02837	1.4
235.02408	2.3
237.86040	1.5
245.06709	2.9
249.03957	2.6
257.00928	4.2
258.01630	2.0
263.01862	1.9
275.02036	14.2
299.98975	1.8
300.99890	41.8
302.00000	2.7
305.08801	2.9
317.08795	6.2
321.08353	6.0
323.51367	1.5
330.32086	1.7
348.77353	1.5
375.09650	2.3
381.10562	7.5
393.10547	3.9
397.08066	1.5
421.04089	1.9
435.11627	8.1
453.12466	27.2
454.12778	2.8
471.13535	5.0
481.06409	13.3
482.06830	2.0
513.14636	100.0
514.15039	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	513.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
69.03440	0.7
70.08526	1.9
71.01387	5.3
73.02940	1.1
75.15614	0.6
78.98598	3.6
79.95738	7.7
80.96513	45.0
81.03465	0.7
85.02951	2.8
87.00874	2.4
87.20055	0.6
94.98089	11.8
96.95995	1.3
98.19974	0.8
99.00887	0.8
99.24455	0.6
101.02465	3.1
101.03068	0.6
106.98093	2.4
108.97318	0.7
110.56324	0.6
122.97574	4.0
125.02462	3.4
134.97589	3.8
136.99162	1.3
148.99135	4.2
152.98622	6.4
164.98642	8.8
169.01407	0.6
182.99655	1.9
206.99681	3.2
212.16211	0.7
213.14944	2.9
225.00722	13.9
243.01897	0.9
299.04578	1.9
513.20099	100.0
514.20447	9.6
532.78992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94212	1.1
55.01888	1.6
59.01099	2.1
59.01389	37.9
60.41112	1.4
67.01891	4.9
71.01392	69.5
71.59543	2.0
72.99306	2.8
73.02940	7.6
73.04474	1.2
78.95914	9.3
80.58678	1.3
83.01379	4.3
85.02966	49.1
86.03324	1.3
87.00889	8.7
89.02430	1.6
89.87244	1.1
95.01399	6.6
96.96961	2.7
99.00906	1.7
101.02472	7.9
106.91051	1.3
109.02963	1.7
111.00888	7.4
113.02466	50.9
114.02779	2.0
125.02432	2.4
126.81663	1.2
129.01944	4.0
131.03537	19.6
139.00415	3.2
143.03491	1.8
153.03050	2.4
157.01355	2.8
157.77617	1.4
163.03944	1.6
171.00645	8.1
171.04140	3.7
180.38881	1.3
189.04076	6.8
201.04041	3.9
215.90701	1.4
227.18173	1.4
245.06737	3.7
249.06303	2.4
275.02045	4.9
300.99988	10.7
305.08810	3.1
311.74725	1.5
317.08899	5.4
321.08319	5.5
375.09293	1.8
381.10449	8.9
393.10309	3.6
411.10803	1.4
435.11285	6.8
453.12491	27.3
454.12851	3.3
471.13489	5.4
481.06265	3.1
513.14661	100.0
514.14899	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	512.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	100.0
62.68738	2.3
65.33656	2.1
69.49534	17.8
76.43565	2.4
85.06610	2.7
86.70644	2.4
108.40648	2.5
124.51507	2.2
125.02493	3.6
138.87720	2.4
139.04027	5.6
153.05612	16.2
283.59470	2.5
336.49414	2.4
410.41907	2.2
430.23117	2.7
436.49893	2.4
449.29105	43.8
450.29242	6.2
460.49347	2.5
468.28653	2.7
513.28546	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	512.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30128	0.2
57.03415	0.2
59.01374	0.9
61.98827	0.6
63.92100	0.2
67.01897	0.2
67.58176	0.2
69.45590	1.5
71.01395	1.0
73.02975	0.3
83.01382	0.2
85.02949	0.5
87.00867	0.3
89.02446	0.5
96.96021	1.4
98.19918	0.4
99.00896	0.2
99.04517	0.2
101.02457	0.4
107.01390	0.6
109.02940	0.3
111.00878	0.2
113.02416	1.0
117.03454	0.3
119.03484	0.2
119.05035	0.4
120.25950	0.2
120.99656	0.8
121.05334	0.2
122.06108	0.2
123.00935	1.0
125.02456	2.6
126.02785	0.3
129.03461	0.3
133.02957	0.3
135.04533	0.3
137.09729	0.2
139.00400	0.4
140.01146	0.4
144.04597	0.3
145.02971	1.0
147.04503	0.2
151.00374	1.1
157.01480	0.4
157.02924	0.5
161.02490	1.2
163.03998	0.4
168.00659	0.3
168.54585	0.2
169.01457	2.4
170.01839	0.3
171.01878	0.2
171.87527	0.2
173.02435	0.9
175.03932	0.2
176.01297	0.2
185.02451	2.3
189.01901	0.4
197.04567	0.4
198.04985	0.2
199.90744	0.2
201.01917	1.7
204.06572	0.2
211.02541	0.4
213.01949	0.2
217.01346	0.5
226.99879	0.5
228.00505	0.2
229.01413	3.0
245.00908	1.1
245.48967	0.2
251.11931	0.3
254.99220	0.2
257.00897	1.5
258.01593	0.3
265.07120	0.2
271.04291	0.4
271.06189	0.3
273.00333	0.4
275.01904	0.3
281.09271	0.2
283.99667	2.3
295.10745	0.2
296.11719	0.4
297.11963	0.2
299.99109	2.8
300.99890	100.0
301.96890	0.4
302.00238	6.5
313.05600	0.3
328.10535	0.3
359.09607	0.2
360.10031	0.3
361.10410	0.4
361.15173	0.3
418.17740	0.3
419.18152	0.2
433.04126	1.8
433.10565	0.3
436.18701	0.3
451.12054	0.4
451.23340	0.4
456.52023	0.3
469.17719	0.2
469.24588	0.2
480.17844	1.3
481.12964	0.6
481.18887	0.4
512.11285	1.1
512.18964	0.4
513.10254	0.9
513.18256	1.4
513.27441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77904	0.7
59.01379	2.4
61.98835	100.0
65.00336	1.9
65.10141	0.8
69.34022	6.1
70.04083	0.8
71.01392	1.3
71.05024	1.5
73.02953	1.1
79.95773	0.9
83.01395	2.3
85.02968	1.4
87.00907	1.9
95.01411	1.2
96.96021	3.5
98.20634	1.7
107.01398	5.7
111.00845	0.9
120.99687	1.8
123.00902	2.4
125.02444	6.0
126.02771	0.8
132.99731	0.8
135.04532	21.0
136.04903	0.8
139.00478	0.8
139.04033	4.3
140.04387	1.8
151.00385	41.7
152.00757	2.0
161.02470	0.9
163.04004	0.8
164.78969	0.7
168.00699	0.8
169.01407	4.2
287.05624	29.7
288.06021	2.0
300.99893	1.1
436.18964	1.5
449.10889	24.7
449.16812	1.5
450.11322	4.0
480.18231	2.4
512.18884	3.3
513.19897	6.4
513.27692	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	512.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.8
61.09621	0.8
61.98851	4.0
71.01380	3.3
71.08745	1.8
85.20748	0.8
88.13623	0.9
89.02449	2.3
91.33401	0.8
92.44408	0.9
95.01409	1.9
101.02424	2.4
107.01370	1.9
113.02477	0.9
119.03526	1.0
123.00898	6.0
125.02458	14.4
127.00347	1.0
136.98959	0.9
139.00378	3.7
140.01201	1.2
151.00388	8.1
168.00645	3.9
169.01443	22.6
170.01692	1.1
201.01990	0.9
211.02472	5.8
251.97519	1.0
271.04645	11.6
272.05048	1.2
301.00110	1.0
313.05618	1.9
316.82468	0.9
449.13028	100.0
450.13309	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	512.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.1
59.01375	4.4
61.98840	93.3
69.58713	8.2
71.01387	5.4
73.02953	2.2
79.95741	1.7
81.03472	6.6
83.01382	2.2
83.05038	2.0
83.93982	1.3
85.02952	2.2
87.00875	1.6
89.02473	3.5
95.05043	5.7
97.02972	2.0
97.06554	1.4
101.02429	1.9
102.02728	1.2
113.06184	1.7
117.49650	1.4
123.04457	1.4
125.02465	39.1
126.02746	1.4
139.04129	1.4
149.04478	1.3
166.02731	3.9
175.97832	1.7
219.13939	1.5
263.16400	3.1
312.09607	3.1
350.16885	4.6
376.31430	1.4
381.22614	1.8
449.21851	100.0
450.22086	15.3
513.26941	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	512.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
59.01392	2.3
61.07846	1.8
61.98837	100.0
69.57748	10.1
73.02988	1.7
80.13139	1.9
91.48565	1.9
109.06625	3.4
116.30204	2.0
119.75338	1.8
125.02449	4.3
139.04051	2.3
153.05583	17.0
160.29268	1.9
165.56314	1.6
254.00418	2.6
263.67938	2.0
332.26385	2.2
449.29095	41.1
450.29288	5.8
469.25537	2.4
513.25153	3.7
517.46661	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	511.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09936	0.3
54.10196	0.3
55.01890	0.5
57.03448	3.4
59.01380	0.6
61.98838	1.9
65.00321	1.4
69.47357	0.3
71.05025	1.0
81.03463	8.4
83.01399	1.8
83.05031	1.5
85.06596	10.8
85.78693	0.4
95.01397	2.7
95.05019	0.6
97.06543	0.6
99.04514	0.8
107.01376	1.1
107.05032	0.4
111.00912	0.4
111.04519	0.7
115.56576	0.3
122.03716	0.9
123.00880	1.3
123.04525	0.5
124.01669	2.9
125.02455	18.4
125.06076	0.5
127.04000	0.8
129.05595	0.6
135.04510	1.4
138.01031	0.3
138.03200	0.4
139.00391	0.4
139.04053	0.6
149.06093	0.6
151.00392	3.2
151.03969	0.6
152.01166	3.7
153.05553	1.4
165.01907	0.4
166.02745	4.7
167.03442	0.6
177.09230	0.7
179.03505	4.6
180.04231	0.5
191.10759	0.7
193.05013	1.0
193.08867	0.4
205.12352	0.7
207.06636	1.0
221.08214	1.7
235.09801	1.6
236.10120	0.4
245.15413	0.4
249.11340	1.0
257.19119	0.5
259.17059	0.9
263.12930	0.6
285.18683	0.4
289.14594	0.7
295.20523	0.4
299.20251	0.7
303.15945	0.6
311.20148	0.5
313.21713	0.8
325.25439	0.5
327.15814	0.4
329.17664	1.0
337.21704	1.5
355.22849	0.7
367.19214	0.4
367.26331	0.9
368.26981	0.3
381.20645	2.6
395.22137	0.5
399.21741	4.8
400.22025	0.5
411.25528	1.4
413.23007	0.4
423.28986	0.9
427.24893	4.0
429.26505	1.3
454.23703	0.5
455.24423	17.1
456.24600	2.3
467.28058	11.7
467.33008	0.3
468.28305	1.5
511.27008	100.0
512.27441	15.4
512.35181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00421	0.3
53.79307	0.3
57.03431	0.7
59.01374	1.3
61.98841	4.2
64.40985	0.4
69.45234	1.9
69.45636	1.0
71.01369	0.5
77.83588	0.4
80.02682	1.0
81.03461	1.5
83.05025	5.3
84.02166	0.5
93.03461	0.9
94.39098	0.4
95.05046	1.1
95.20660	0.3
97.06569	1.1
109.06586	1.1
113.06106	0.4
125.02486	2.0
125.06078	0.8
125.09737	2.7
127.11246	0.5
135.08180	1.3
136.99136	0.7
149.09697	1.2
163.11284	5.1
165.12883	2.7
171.10272	27.2
172.10623	1.2
181.12355	0.7
185.11897	1.7
191.10811	1.0
194.90202	0.4
198.84367	0.5
203.14377	0.6
207.10339	0.4
209.11833	100.0
210.12154	4.3
219.13828	0.6
221.11835	1.4
223.13353	1.5
227.12901	7.8
228.13289	0.5
229.12331	0.7
231.13824	0.4
247.11020	0.7
247.13393	7.2
265.11975	0.3
265.14517	2.3
308.37329	0.4
309.18024	0.4
320.18213	0.4
321.17282	0.5
331.22827	0.7
357.20224	0.4
373.20032	0.9
375.21680	1.2
375.25653	0.8
401.23309	1.0
419.24576	1.3
431.24448	0.5
437.25571	0.8
448.20917	0.5
449.20743	0.7
449.25565	1.8
450.25812	0.5
457.25662	0.6
467.33545	0.5
475.27014	3.2
493.27963	1.9
511.29556	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	512.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
61.98835	5.1
65.00329	1.5
70.40517	4.1
71.01379	5.8
72.99290	1.2
83.01410	1.8
84.99308	1.1
85.02963	2.0
85.98775	1.1
87.00861	1.6
89.02470	2.3
95.01384	1.7
96.96002	2.4
98.19929	1.4
103.14236	1.2
107.01403	4.5
110.00110	4.9
111.00906	4.9
111.08154	3.2
113.02458	1.2
113.51208	1.3
122.03750	3.4
123.00915	6.6
124.01728	1.8
125.02454	27.4
125.03309	2.3
126.02753	1.6
136.98909	1.6
137.06100	16.2
139.00404	12.4
140.01123	2.0
145.02975	1.2
149.02377	1.3
151.00375	4.9
151.04057	1.4
163.04034	1.4
165.99083	6.6
166.99841	4.4
168.00668	7.3
169.01433	33.9
170.01849	1.2
178.99847	6.6
181.05136	1.8
211.02484	33.0
219.02837	1.4
227.03432	1.4
231.02930	1.6
242.02235	4.0
243.02942	4.7
251.05615	3.0
259.02420	2.2
270.01639	7.4
271.02371	18.6
271.04639	38.4
272.02725	2.3
287.01996	30.2
288.02554	3.5
313.05634	5.0
316.02246	67.6
317.02936	12.5
331.06790	6.1
361.11121	1.4
449.07278	100.0
450.07724	10.7
469.13901	1.5
494.12918	2.1
512.14844	9.3
512.25690	1.5
513.12335	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01403	0.7
65.00320	1.5
69.64436	4.1
71.05028	1.2
79.01911	1.5
81.03464	6.3
83.01385	1.8
83.05031	1.0
85.06600	9.3
91.05532	0.6
95.01409	1.5
97.02959	0.8
107.01416	0.7
109.06602	2.9
111.04551	2.7
111.08093	0.8
122.03716	0.9
123.00921	0.7
123.08179	0.8
124.01681	2.6
125.02457	15.9
135.04533	1.6
137.68100	0.5
143.01996	0.8
151.00342	2.1
152.01204	4.6
152.04788	0.9
153.04448	1.1
153.05603	15.5
153.55751	0.6
166.02745	2.9
177.09259	0.7
179.03508	5.2
180.04335	3.7
193.05077	1.8
194.05858	2.4
207.06610	3.0
212.03372	0.6
221.08308	0.9
235.09738	1.6
236.10594	0.9
245.15465	0.8
247.16949	0.6
249.11378	1.0
263.12900	0.7
289.14493	1.7
301.36209	0.6
325.25290	0.9
327.15829	0.6
337.21674	1.1
343.19159	0.7
367.19336	0.8
367.26511	2.1
381.20703	3.6
382.21332	1.9
395.22180	1.3
399.21674	2.5
411.25391	2.2
423.28848	0.9
427.25089	1.4
439.21301	0.9
455.24420	19.2
456.25052	2.8
467.28018	31.6
468.28400	4.1
511.27036	100.0
512.27338	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	511.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93757	2.1
55.01884	5.1
57.03459	20.8
59.01390	14.5
61.20168	2.1
61.98842	20.3
67.01888	2.7
69.03467	10.5
69.43230	17.0
71.01395	14.5
71.05031	4.5
73.02950	8.6
79.01917	6.2
81.03466	9.6
83.01395	3.0
83.05015	3.9
84.02171	5.3
85.02964	100.0
87.00881	9.5
89.02441	4.3
95.05039	20.9
97.02973	16.6
99.04520	9.0
101.02471	3.4
107.05013	2.6
108.02174	2.1
109.02977	5.3
109.06593	2.8
111.82206	2.0
113.06089	3.3
117.83722	2.4
121.02958	3.4
121.89046	2.2
123.03727	3.3
123.04546	49.3
124.01667	4.4
125.02461	58.3
125.06073	2.8
131.07207	2.3
131.23241	2.3
135.04527	4.0
137.02396	2.8
138.03226	9.3
139.03981	7.2
141.05585	6.1
147.94795	2.5
151.00339	4.9
151.03981	5.2
152.01144	3.9
153.01958	4.9
153.05562	4.4
161.56262	2.3
163.11205	2.2
166.02687	3.4
167.03473	9.9
179.03519	7.6
179.07133	4.0
186.40173	2.4
193.05122	3.1
209.11925	2.9
209.15495	2.8
218.30450	2.6
219.17499	3.2
227.12926	2.3
233.15445	3.2
235.09700	5.9
247.17062	15.0
259.16922	2.8
261.18573	5.5
271.16995	4.7
289.14874	3.9
289.18082	18.0
291.15985	4.4
315.19562	3.0
333.20764	3.2
339.19800	2.7
349.16309	2.9
357.20724	6.0
375.21729	5.7
393.22906	6.3
405.22699	2.8
411.24020	5.7
431.24167	6.3
449.26291	33.6
450.25821	6.0
451.23431	56.2
452.23822	8.7
465.25049	37.9
466.25424	3.5
467.26746	6.5
493.24252	24.5
494.24936	5.3
511.25388	8.6
511.32895	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	511.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.7
61.98834	8.1
63.96234	0.9
68.75997	0.9
69.32428	2.9
69.32851	4.7
71.01392	7.0
73.02930	2.6
78.98580	3.4
79.95734	7.4
80.96523	46.1
85.02939	2.5
87.00869	3.2
88.98800	2.4
89.02452	0.8
94.98093	11.2
96.95999	3.7
97.02933	2.0
101.02435	3.2
106.98078	1.9
107.01398	2.0
110.99278	0.9
113.02451	1.9
117.76086	0.8
122.97604	4.9
123.00874	1.9
123.04533	1.9
125.02460	11.3
127.04006	0.9
134.97588	3.5
135.04553	1.4
137.02524	1.1
139.03999	1.1
145.02951	1.7
148.99133	2.5
151.00348	2.1
152.98610	5.8
153.05589	1.0
164.98624	7.9
167.03426	1.9
169.01430	8.9
179.07059	1.6
191.86577	0.8
205.12366	1.0
206.99605	3.1
211.02524	1.1
211.13394	3.6
225.00764	14.3
229.05008	3.4
233.26912	0.8
243.01833	1.5
245.04608	2.0
271.04495	1.0
299.04419	1.6
511.18500	100.0
512.18805	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	511.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29211	2.4
55.01862	4.0
57.03457	16.2
59.01398	12.2
59.94791	2.4
61.98838	17.8
69.03457	10.3
70.02486	2.5
71.01373	7.5
73.02956	15.5
79.01920	3.7
81.03466	12.7
83.01402	6.8
83.05035	4.8
84.02168	5.8
85.02963	100.0
87.00862	9.3
89.02449	2.7
95.05033	15.9
97.02975	14.2
98.19875	7.4
99.04522	7.4
113.02475	2.5
113.06048	3.7
121.02953	2.7
123.04532	59.1
124.01667	6.8
125.02455	62.1
136.05296	2.7
137.02429	4.1
138.03220	9.1
139.03998	8.5
141.05595	5.5
146.62480	2.6
149.02345	3.2
151.00327	4.2
151.04010	2.8
153.01875	2.6
153.05539	4.4
162.66412	2.1
163.04091	2.5
165.12877	2.6
166.02731	3.5
167.03476	7.3
177.05492	3.0
179.03491	5.7
179.07111	5.9
181.35983	2.1
182.81796	2.3
183.13924	2.4
193.05020	4.2
209.11797	7.7
227.12825	4.8
233.11667	2.4
233.15479	3.2
235.09598	5.1
247.17062	14.5
249.11101	2.6
261.18515	5.7
289.18106	17.5
315.19656	6.2
333.20740	3.3
356.93829	2.6
357.20572	7.1
375.21710	3.2
393.22726	5.1
411.23883	4.0
431.24579	5.5
438.48795	2.5
449.26111	36.8
450.25592	9.0
451.23401	59.2
452.23618	8.2
465.24918	40.2
466.25421	3.9
467.26553	3.1
493.24408	21.5
494.24902	5.2
511.25525	6.5
511.33121	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.09851	0.3
59.01376	3.2
61.98831	2.0
62.22039	0.3
65.00326	0.3
67.01889	0.5
68.23949	0.3
68.99839	0.3
69.03453	0.8
70.41076	0.6
70.41467	0.6
71.01384	3.8
72.99305	0.6
79.01905	0.9
81.03471	0.4
83.01389	0.8
83.05026	0.4
84.32875	0.3
85.02949	1.3
87.00867	0.4
87.04536	0.5
89.02458	1.1
95.01406	1.3
96.88623	0.3
97.02959	0.9
97.06635	0.5
98.20571	0.5
99.00868	0.5
99.04513	0.6
101.02464	2.0
107.01389	4.9
109.02953	0.9
111.00907	1.8
113.02452	1.5
119.03558	0.4
121.02941	0.3
123.00888	7.7
123.04528	0.7
124.01695	0.8
125.02450	32.9
126.02778	0.5
127.00391	0.6
127.04022	1.0
136.98808	1.0
137.02460	0.3
139.00377	3.1
139.04039	0.4
140.01163	2.2
141.01970	0.9
151.00386	4.9
151.04001	0.9
153.01952	0.5
153.09198	0.5
153.12856	6.1
167.03503	1.0
168.00655	6.3
169.01431	51.3
170.01762	2.0
177.04044	0.8
179.10762	2.2
183.02924	0.6
197.11890	1.7
211.02481	23.0
212.02879	0.9
223.02565	0.5
237.89529	0.4
241.03558	1.8
271.04593	19.7
272.04898	1.2
313.05652	10.4
314.06009	0.8
331.06738	0.5
451.23096	0.6
467.33713	0.6
493.24203	1.0
511.18228	100.0
511.25226	7.0
512.18585	10.2
512.25494	0.6
519.81903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1456
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
58.95971	0.4
59.01384	7.4
61.98833	1.1
67.01913	1.2
68.52398	0.5
69.03438	0.5
69.91849	2.1
71.01387	5.9
71.05006	0.4
72.99292	0.8
79.01893	1.0
83.01378	1.0
85.02959	1.1
87.00894	0.7
89.02458	3.2
93.03446	0.5
95.01403	2.5
96.96004	2.3
97.02959	0.6
98.20544	0.6
101.02448	3.4
102.41924	0.4
107.01397	5.1
111.00867	2.3
113.02470	2.1
117.05582	1.3
119.03516	0.8
120.99622	0.6
121.03041	0.6
123.00893	13.7
124.01667	1.3
125.02457	24.0
126.02798	0.9
127.00381	1.1
134.03766	0.8
135.04520	1.9
136.98830	1.5
137.02455	0.8
139.00385	4.0
139.03999	1.1
140.01189	3.3
141.01915	0.9
149.02402	1.0
149.06075	0.7
150.03204	1.0
151.00374	8.0
151.03912	0.6
152.01094	0.6
153.01956	0.7
159.04549	0.5
161.02475	1.1
163.03929	0.5
164.04822	1.8
165.01942	0.6
165.05527	2.2
167.03409	0.9
168.00667	6.2
169.01439	26.8
170.01753	1.1
178.99847	0.7
179.03569	0.6
179.05602	0.6
179.07129	1.1
182.05807	0.7
183.03029	4.5
184.22510	0.5
189.07832	0.4
191.03409	0.4
193.01451	0.5
195.06581	0.5
197.08319	0.5
203.03543	1.1
210.01688	1.2
211.02477	11.1
212.02844	0.7
225.04071	5.2
231.02965	3.1
245.00996	0.8
249.04134	0.8
261.00177	0.5
271.04602	12.6
272.04974	0.8
273.00397	1.2
275.02020	1.8
285.06165	3.1
286.06470	0.6
300.99789	1.7
313.05688	2.0
345.11975	1.5
360.26483	0.5
431.11945	0.7
439.08926	0.5
451.18024	0.6
459.48047	0.5
493.13828	1.4
511.14572	100.0
512.14862	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	511.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.2
61.98847	5.7
67.01881	2.0
71.01386	12.3
72.99297	1.3
73.01144	1.3
73.02927	1.1
74.99094	2.9
75.00863	1.0
79.01884	2.0
79.65166	0.9
83.01376	2.2
85.02939	4.1
87.00866	3.1
89.02442	4.3
95.01388	4.8
96.96024	2.0
97.02943	1.6
101.02437	4.3
107.01397	19.8
108.02189	1.5
109.02929	1.6
109.06577	1.2
110.00101	2.0
111.00867	4.7
113.02425	4.4
119.03463	1.2
120.99667	1.8
123.00899	26.0
123.04556	2.1
124.01689	3.3
125.02460	53.2
126.02770	1.2
127.00341	2.3
136.98883	5.0
137.02419	2.5
138.03143	1.1
138.16519	1.1
139.00381	11.7
139.04005	2.3
140.01198	7.3
141.01917	3.9
147.04510	1.9
149.02397	1.7
151.00397	16.9
151.03944	1.3
152.01088	2.7
153.01959	2.9
161.02438	1.4
163.03984	2.5
164.04791	5.6
165.05548	3.1
165.99051	1.6
166.99812	2.5
167.03471	2.2
168.00655	15.8
169.01437	66.0
170.01750	2.2
179.03503	1.8
179.07106	3.0
182.05797	2.3
183.02956	3.3
193.98563	2.7
194.99396	6.6
197.08125	2.9
211.02483	32.5
217.01343	1.4
225.04048	3.6
238.99065	1.1
241.03429	1.6
242.02151	1.1
258.01605	1.6
261.00272	2.6
270.01636	1.5
271.04700	38.9
272.04813	1.4
273.00360	2.3
285.06119	2.7
287.01971	6.3
288.99750	1.5
297.06006	2.1
313.05701	5.7
316.02203	16.1
317.02960	3.2
331.06522	1.8
353.70319	1.4
359.09818	2.8
359.17020	1.9
373.07800	1.4
387.09125	3.5
399.09354	1.3
435.12955	8.1
449.07239	27.6
467.14734	1.7
479.11969	100.0
480.12204	11.7
493.13211	13.9
494.13489	2.1
511.14401	92.9
512.14453	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00205	1.0
59.01381	9.8
61.98830	2.6
63.38513	1.1
66.12594	1.0
66.91315	1.0
67.01885	1.7
69.50220	7.8
71.01384	8.9
72.99290	2.0
73.02952	1.2
74.99089	1.6
75.78835	1.2
79.01880	1.9
81.03458	1.5
83.01354	2.3
85.02937	3.2
87.00860	3.8
89.02425	5.0
95.01369	3.1
96.81377	1.1
96.95978	1.8
97.02924	1.6
101.02441	4.5
107.01387	14.6
108.02150	1.2
110.00096	1.3
110.88362	1.0
111.00873	6.3
113.02420	3.2
122.03679	1.4
123.00882	25.1
124.01627	3.3
125.02447	42.4
127.00349	1.8
128.10492	1.0
133.02995	1.6
136.00697	1.4
136.98900	2.4
137.02397	2.7
139.00363	10.4
139.03951	2.0
140.01131	6.9
141.01883	3.2
147.04480	2.0
149.02434	1.1
151.00374	12.6
152.01108	3.0
153.01891	1.8
161.02417	1.2
163.03966	2.8
164.04753	4.3
165.01903	1.6
165.05533	2.7
166.99768	1.6
167.03482	1.9
168.00618	11.0
169.01425	58.2
170.01718	1.7
177.01743	1.4
178.99867	1.4
179.03510	1.3
179.07097	1.9
179.10738	1.4
182.05824	1.9
183.02892	3.6
193.98497	1.3
194.99313	3.5
197.08125	1.5
211.02472	20.2
217.01311	1.9
222.40031	1.2
223.02371	1.2
225.04012	3.4
241.03587	1.5
245.00961	1.3
258.01614	1.4
261.00290	3.2
262.09293	1.4
271.02252	4.2
271.04553	22.4
272.04764	1.6
275.01840	1.7
285.06046	4.5
287.01880	6.4
288.99771	1.8
291.32730	1.4
300.99619	1.6
313.05576	4.8
316.02234	13.3
317.02890	2.9
331.06610	2.0
345.11880	2.1
359.17047	1.6
373.07751	1.3
387.09256	3.1
399.08719	1.2
433.21170	1.3
435.12634	2.4
442.79791	1.3
449.07144	26.5
479.11948	65.4
480.12479	5.8
493.12952	9.2
511.14407	100.0
512.14716	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	511.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89421	0.5
57.03456	1.0
59.01383	10.9
61.98831	3.7
67.01893	8.6
69.03470	1.1
71.01390	4.4
72.99328	1.5
73.02956	1.0
74.99110	1.2
75.00808	0.6
75.74713	0.5
79.95731	0.6
83.01375	0.7
85.00385	0.6
85.02973	2.7
87.00885	1.2
89.02473	1.5
90.13638	0.6
95.01390	1.7
96.92748	0.6
96.96014	2.3
97.02939	0.7
98.20689	1.6
99.00927	0.6
101.02449	2.0
107.01382	0.7
108.02183	52.7
109.02982	10.8
111.00883	14.2
113.02451	1.7
116.57565	0.7
116.92863	0.7
117.05621	0.8
120.99663	13.4
123.00895	3.2
123.04456	0.6
125.02459	5.7
128.78540	0.5
136.99132	0.9
137.02446	1.1
139.00391	0.9
140.01106	0.8
145.02924	0.9
147.04628	0.5
149.02394	1.1
149.89029	0.5
151.00351	1.7
152.01157	100.0
153.01712	3.9
161.02394	0.9
163.04013	2.3
165.01877	1.4
165.05589	0.7
166.06346	0.9
168.00592	1.3
169.01414	5.0
177.01926	1.1
177.05602	0.9
179.03519	1.0
181.08717	1.3
191.03432	0.7
202.23010	0.5
203.37932	0.6
205.05034	1.2
211.02512	1.3
229.82793	0.6
249.03960	1.8
267.05029	0.7
271.04568	1.7
275.01785	0.6
285.06161	1.2
300.99850	2.0
313.05634	0.7
399.09326	54.3
400.09613	5.1
511.10864	61.5
511.17914	5.9
511.25589	3.9
512.10999	8.1
512.17914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08923	0.3
58.74060	0.3
59.01384	1.4
60.97952	0.3
61.98835	100.0
63.44738	0.3
69.51048	2.6
71.01396	1.2
85.03003	0.5
89.02465	0.5
91.46741	0.3
93.03442	0.3
96.55261	0.3
101.02476	0.5
101.06093	0.3
105.04522	0.3
105.62770	0.3
111.00921	0.3
113.02477	0.3
122.03790	0.3
123.00874	0.6
125.02497	0.9
153.01965	0.4
165.05577	0.4
168.00677	0.7
169.01462	1.2
179.10815	0.4
211.13448	0.5
211.54419	0.3
212.13789	0.7
257.88071	0.3
271.04614	0.4
510.20862	1.5
511.22281	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	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65881	0.9
61.98834	100.0
69.14758	1.1
71.05045	1.5
72.52307	0.8
94.79635	1.0
95.05043	1.7
96.10191	1.1
96.25557	0.8
97.02953	1.5
125.02421	1.7
125.09702	1.0
139.04025	18.5
148.07587	1.1
165.01920	1.9
166.02696	4.0
180.04248	2.0
193.05029	2.5
305.17499	1.7
447.23874	63.1
448.24118	6.8
485.71262	1.3
524.16705	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	510.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03960	1.1
54.26588	1.4
57.03438	3.0
61.98837	100.0
63.08012	1.1
70.36303	4.6
85.06611	2.6
86.64866	1.3
87.04525	2.7
109.06580	3.1
111.04584	1.4
112.52146	1.1
115.70364	1.2
116.92937	1.8
141.09229	1.3
153.05583	20.8
242.63663	1.2
423.34897	2.0
447.27548	46.4
448.27646	6.0
511.26648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.9
59.01378	11.1
60.99320	19.1
61.98830	5.9
65.40471	1.7
69.03456	2.6
71.01384	5.4
71.61787	3.1
73.02917	2.0
73.45431	1.9
85.02950	6.8
87.00879	3.4
88.24901	1.6
88.98814	100.0
89.02431	2.1
96.96030	12.4
97.02995	2.2
101.02430	4.9
102.74568	1.8
113.02452	4.3
119.03492	1.9
120.99667	47.4
123.00890	11.9
125.02460	19.8
137.02516	2.7
139.00426	4.9
140.01208	2.4
141.01993	3.3
145.02983	3.1
151.00372	11.0
153.02080	2.1
168.00581	5.1
169.01434	26.2
207.14853	2.1
221.00763	2.4
258.00766	1.8
287.10394	2.3
421.11450	78.3
422.11844	7.1
511.17722	20.3
511.25235	4.0
512.18323	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
61.98833	100.0
71.01388	1.4
71.05022	0.5
71.61086	0.5
71.61769	0.4
73.02942	0.4
74.80888	0.4
85.02945	0.9
88.63781	0.4
89.02466	0.9
95.05037	0.6
96.96061	0.4
97.02979	1.2
101.02451	1.0
111.00893	0.5
113.02459	0.5
123.00911	0.5
123.04530	1.4
124.01672	0.5
125.02485	1.7
128.24760	0.4
133.02937	0.6
135.04558	0.4
139.04022	5.4
145.03003	0.4
151.00397	0.4
151.04068	0.6
153.05600	1.2
154.06036	0.5
161.02512	0.8
162.02907	0.4
165.01924	1.5
168.00650	0.5
169.01450	1.5
179.07175	0.6
203.03383	0.4
209.11826	0.8
289.20435	0.4
422.22702	1.0
434.17212	0.7
447.09906	0.6
472.12411	0.4
478.16275	0.6
493.24390	0.8
511.18494	1.8
511.25653	1.2
530.15350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	14.7
65.00316	1.2
90.15257	0.8
98.19853	2.7
107.00696	0.7
107.01415	3.5
109.02946	1.4
120.62094	0.8
120.99664	3.3
121.02977	2.6
121.65364	0.9
125.02425	1.7
139.04184	0.8
151.00385	12.7
163.00406	2.9
169.01431	1.7
170.01801	0.8
177.96835	0.8
178.99837	4.7
190.22420	0.8
197.06993	0.8
201.05698	1.0
211.04160	1.2
220.49101	0.7
227.03499	1.8
229.04971	1.3
229.98807	0.9
243.03035	5.6
245.04601	1.6
255.02977	19.9
256.03522	1.0
271.02475	35.0
272.02969	2.6
273.04044	2.0
283.02509	1.8
300.02762	68.9
301.03506	48.7
302.03879	3.9
376.22379	0.7
444.73587	0.7
447.09348	100.0
448.09790	11.0
510.17346	4.5
511.18137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29974	0.4
59.01373	2.4
59.65300	0.4
60.11049	0.3
61.98837	100.0
71.01388	2.0
73.02950	0.4
75.00863	0.5
79.95745	0.4
84.15376	0.4
85.02962	1.1
87.00889	0.5
87.04530	0.7
89.02470	0.7
93.03465	0.6
96.96068	0.5
99.04482	0.5
101.02472	1.5
109.02979	1.7
111.00873	0.6
113.02425	0.9
119.05044	0.6
123.00941	0.9
125.02461	1.8
137.02470	1.2
138.02782	0.4
139.04028	0.5
142.66780	0.4
146.08330	0.6
147.04529	1.8
151.00385	0.4
153.01978	2.0
154.02345	0.5
166.40479	0.4
168.00606	0.8
169.01465	1.6
169.30820	0.4
179.03548	0.6
179.10767	0.5
179.85756	0.4
180.04015	0.5
191.03354	0.4
209.11702	0.5
211.02516	0.9
271.04645	1.5
374.19025	1.0
379.49503	0.4
466.21600	0.9
475.16354	0.5
492.19696	1.0
510.20282	7.2
511.21829	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	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.4
59.01384	20.7
61.98839	23.4
65.11642	3.2
69.60859	16.6
71.01382	2.9
71.05034	17.9
73.02961	9.6
85.02963	21.4
87.00883	100.0
95.01299	2.6
97.06620	5.9
98.19865	3.4
99.04524	60.5
113.06072	4.2
123.08231	4.7
125.02452	8.9
125.06096	6.9
129.31647	2.6
136.61501	2.6
140.53331	3.3
156.57140	2.9
197.19057	2.8
295.26334	7.5
297.52362	2.7
359.18729	4.0
372.51660	3.2
381.30106	36.8
382.30032	3.6
394.45450	3.1
395.31674	98.6
396.31842	10.7
403.32138	7.8
421.33368	79.9
422.33496	10.0
437.32706	42.0
438.33063	6.5
446.26584	3.6
447.31165	5.3
465.32205	62.2
466.32288	9.3
509.24936	5.8
509.31464	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	509.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12497	0.6
59.01379	6.8
61.98833	3.8
65.80270	0.7
69.58929	5.1
69.64850	0.8
71.05007	2.0
79.24756	0.6
79.86592	0.6
83.05031	1.2
83.29140	0.7
87.00880	100.0
92.23120	0.9
93.03458	1.6
97.06599	1.3
103.93983	0.8
107.05047	1.3
108.59265	0.7
111.04488	1.0
112.55562	0.7
113.06055	2.0
121.06586	1.1
123.08175	3.4
125.02462	6.9
125.06087	3.5
149.06151	1.0
151.04027	0.8
153.02022	1.1
159.33905	0.9
167.07137	4.4
168.61014	0.7
225.18530	1.0
235.06383	0.8
277.25323	1.2
297.24329	0.9
305.24911	1.5
331.26373	1.5
349.27310	1.0
377.30521	0.9
403.32098	4.9
421.33408	40.0
422.33643	6.4
447.31128	1.5
447.38498	1.1
465.32239	27.7
466.32651	4.1
509.31198	14.2
509.38040	1.4
510.31693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.7
58.09618	2.2
59.01097	3.6
59.01384	71.1
61.98833	80.4
61.99154	4.2
63.35754	2.1
67.03010	3.9
69.37955	13.0
69.38378	7.9
71.01383	50.1
72.99294	4.3
73.02949	6.8
75.00860	4.0
79.95729	4.5
82.70111	2.2
83.01382	4.6
83.05029	2.5
85.02952	21.2
87.00877	11.9
89.02451	31.6
93.03480	4.1
95.01400	6.1
96.96053	4.1
99.00896	3.5
101.02449	33.7
107.01390	3.7
109.02947	8.4
111.00895	5.7
111.01984	5.7
113.02434	13.7
113.06138	2.3
117.05618	4.2
119.03524	16.1
119.05019	4.8
121.02956	5.6
123.00912	9.4
123.04523	7.3
125.02448	14.1
128.41226	2.7
133.02974	2.8
135.04492	12.7
136.01651	3.7
137.02449	10.5
139.04008	3.6
140.01158	2.8
141.01964	10.3
143.03593	2.6
145.02921	5.7
145.46591	2.4
149.02496	3.7
149.04489	3.2
151.00452	3.7
151.03992	2.9
153.01927	9.6
161.02411	6.4
161.04552	3.9
163.04102	3.5
166.06349	6.8
169.01454	15.3
179.03450	15.1
179.05687	5.5
179.07126	3.5
180.03854	2.9
181.08696	3.4
181.80812	2.3
183.13785	2.4
195.03049	4.2
211.02478	4.7
213.14923	4.2
214.71477	2.4
259.19144	3.7
260.34653	2.3
271.04630	4.8
287.22253	11.8
288.21933	2.4
327.12256	3.8
389.52103	2.3
434.17224	3.1
446.21161	4.7
449.27615	100.0
450.27988	10.9
465.18726	2.5
509.10803	6.7
509.19122	18.5
509.24649	12.6
509.31790	3.9
510.18896	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	509.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
57.58266	1.0
59.01391	3.1
60.99315	15.0
61.98527	1.6
61.98832	27.1
70.74797	2.0
70.75172	2.8
71.05063	1.1
81.03461	1.7
87.00877	4.4
88.98815	100.0
99.08149	1.7
103.56611	1.2
125.02486	9.0
135.68454	1.3
139.04005	4.3
140.04395	1.2
142.41547	1.1
153.05534	1.5
199.72574	1.1
235.71046	1.0
265.14490	1.4
419.24454	29.9
420.24973	2.7
446.26611	1.9
447.23553	2.0
465.32385	1.8
509.31186	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	509.2886
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.10192	0.4
62.81674	0.5
69.51614	0.6
69.78802	2.6
78.95910	17.3
83.74820	0.5
96.96980	1.8
104.86268	0.6
113.83144	0.7
150.97928	0.5
152.99594	29.8
171.00670	1.6
177.68315	0.5
208.06018	0.5
213.91930	0.5
227.03311	4.7
245.04506	1.1
281.24866	100.0
281.88968	0.5
282.25198	7.8
362.70511	0.5
417.24011	1.3
509.28824	58.2
510.29303	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	509.2034
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
55.01873	1.1
57.03442	2.1
58.00589	1.9
59.01096	1.9
59.01386	31.8
61.98835	38.9
62.42613	1.0
69.03478	2.1
69.31205	10.7
71.01390	23.1
71.05011	1.2
72.99324	2.7
73.02951	2.7
83.01391	3.3
85.02947	8.9
87.00870	3.2
89.02462	15.9
91.01921	1.4
91.37669	1.2
93.03461	2.8
95.01392	2.5
95.04990	1.2
96.96017	2.6
97.02950	1.3
98.19896	1.8
99.00892	1.6
100.48402	1.2
101.02450	16.7
104.39073	1.1
107.01427	2.2
108.02175	2.5
109.02208	2.4
109.02965	45.6
111.00875	4.6
113.02452	12.5
119.03499	5.6
121.02952	1.6
123.00861	5.0
123.04517	2.0
124.01695	6.4
125.02489	9.2
135.00899	2.8
135.04509	2.3
137.02472	11.4
137.06108	1.9
139.00366	1.8
139.03987	4.2
145.02896	2.2
149.04510	1.6
151.00473	2.2
151.07637	1.9
152.01199	8.8
152.04790	1.4
153.01950	53.8
153.05569	2.8
154.02228	2.2
159.02969	1.2
161.02357	2.2
161.04480	1.9
163.07655	1.1
165.05528	1.7
167.03462	1.2
169.01448	7.6
175.03947	1.2
179.03444	1.3
179.07088	4.5
179.10805	1.3
180.11028	1.4
181.08682	8.6
183.02783	1.2
193.12305	1.6
195.03014	23.8
211.02496	1.4
211.13528	1.5
241.18829	1.3
255.05148	17.8
259.19119	3.5
313.05603	1.9
329.23297	3.1
341.38177	1.3
347.24274	1.9
373.18668	28.2
377.25577	1.7
421.22220	3.4
437.67938	1.2
449.22931	1.5
465.15143	1.7
465.21347	32.0
466.21530	4.3
491.19043	12.8
509.20139	100.0
509.29788	13.3
510.20468	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	509.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01386	3.5
67.01878	0.8
69.03469	0.6
71.01389	4.6
73.02953	1.2
74.99077	0.6
76.14748	0.4
79.01883	0.9
83.01379	0.8
85.02950	2.6
87.00862	0.6
89.02447	0.8
91.42294	0.5
95.01380	1.7
96.96020	2.7
97.02932	0.9
99.00897	0.5
101.02454	2.2
107.01398	3.5
109.02953	0.7
111.00872	1.2
111.08161	1.9
113.02453	1.7
117.05560	0.9
123.00889	13.2
124.01690	0.6
125.02455	17.9
126.02859	0.6
135.26613	0.5
136.98930	0.5
137.02448	0.7
139.00385	4.2
139.07648	9.9
140.01198	1.9
140.08005	0.5
141.01962	2.3
141.02893	0.4
151.00383	10.2
151.03963	0.8
153.01953	0.6
154.99960	0.5
161.04567	0.4
163.04007	0.4
168.00664	2.7
169.01436	27.6
170.01736	1.0
179.03534	0.5
181.05089	0.6
191.40221	0.4
211.02496	2.0
263.18988	0.4
271.04568	2.7
298.50031	0.4
310.87949	0.5
313.05649	3.7
509.16675	100.0
510.16943	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	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35052	0.8
57.03452	1.5
58.06453	0.8
59.01386	10.9
61.98840	5.4
63.66998	0.8
65.05106	0.7
67.01891	1.1
68.99790	0.8
69.03425	1.3
71.01379	5.8
72.99313	1.0
73.02940	1.6
74.99076	3.2
79.01883	1.0
81.72941	0.8
83.01399	1.3
85.02943	1.7
87.00874	1.3
89.02435	3.6
93.03459	1.3
95.01373	2.2
96.95979	1.5
97.02942	2.1
101.02436	2.7
107.01405	9.2
108.02161	1.3
109.02921	1.7
111.00832	2.6
113.02418	3.3
117.05579	6.2
119.05007	1.0
120.01207	3.2
120.99632	1.7
121.02918	1.3
123.00905	13.2
123.04488	2.4
124.01662	1.9
125.02454	58.2
126.02733	2.5
127.00378	2.1
135.04546	4.7
136.98891	3.4
137.02383	3.5
139.00389	6.0
139.03912	1.5
140.01213	4.4
141.01866	1.7
149.02409	0.9
150.99280	1.2
151.00391	10.6
151.03949	2.9
151.07619	1.3
161.02391	1.9
163.03925	1.0
165.01917	2.7
166.99855	1.1
167.03453	1.8
168.00644	9.2
169.01440	74.4
170.01749	1.6
175.04031	1.3
179.03455	1.7
181.05002	1.4
183.03008	0.9
195.06635	15.7
199.69557	0.9
211.02484	30.4
225.07767	1.0
229.83138	1.0
241.03447	1.9
253.03479	1.2
257.87122	1.0
259.86798	0.8
264.93164	0.8
271.04611	53.1
272.05002	4.0
275.01819	2.3
281.06589	1.2
289.07141	1.4
299.98990	0.9
300.99692	1.6
313.05630	14.1
314.05722	0.9
314.97650	1.3
331.06689	8.6
332.06708	1.0
343.12039	1.0
437.24673	1.0
446.17566	2.0
461.17584	1.0
491.12051	6.4
509.12741	100.0
510.13141	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	509.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01387	8.3
59.98169	0.4
61.98829	3.0
67.01885	1.0
69.03464	0.6
69.28844	3.6
69.29259	1.4
71.01392	7.5
72.99303	0.8
73.02959	1.0
74.99089	0.8
75.00887	0.9
79.01904	0.9
81.03483	0.6
83.01402	1.6
85.02948	2.9
87.00865	1.0
88.98807	0.6
89.02455	3.0
91.07780	0.4
95.01377	2.6
96.96016	3.7
97.02985	1.0
99.00882	0.7
101.02444	4.8
103.04041	0.5
107.01408	4.1
107.05069	0.5
109.02953	1.3
111.00893	3.2
113.02453	2.6
117.05566	1.1
119.03496	1.1
120.99657	1.7
123.00894	16.3
125.02454	23.7
126.02839	0.7
127.00426	0.8
135.04564	0.8
136.98874	1.6
137.02472	1.0
139.00404	4.7
139.04062	0.6
140.01128	2.8
141.01913	2.1
145.02966	0.8
151.00377	10.1
151.04031	0.8
153.01970	1.0
161.02432	0.7
163.04045	0.8
165.09203	1.5
167.03465	1.2
167.07080	1.1
168.00639	4.2
169.01433	29.0
170.01767	0.9
177.01898	0.6
179.03526	0.6
180.04214	1.3
181.01250	0.5
181.05095	1.6
181.08577	0.7
183.03117	0.5
195.06664	0.8
195.10313	0.6
209.11868	0.9
211.02489	8.0
229.14308	0.6
271.04602	11.1
275.02161	1.1
301.00052	0.6
313.05634	3.2
314.05780	0.6
331.06851	1.7
347.24414	0.7
449.23441	0.5
451.12381	0.5
477.19775	1.5
478.68335	0.5
504.48776	0.5
509.16714	100.0
510.17090	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	509.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.8
61.98833	13.2
66.51675	1.0
68.28379	1.1
69.49538	9.8
71.01380	7.0
72.99362	1.3
73.00720	1.4
73.02956	3.6
74.08638	1.1
74.99097	3.3
75.00877	1.2
81.35518	1.2
83.01414	1.7
85.02966	5.3
87.00883	2.9
87.02723	1.7
89.02470	3.0
92.38171	1.2
95.01390	2.9
96.96023	3.5
97.02939	1.5
101.02475	5.6
107.01395	7.6
109.02984	1.5
111.00883	2.9
113.02445	4.0
117.05576	1.3
119.03561	1.7
123.00896	13.3
125.02460	34.3
131.03705	2.1
136.98929	2.4
137.02448	2.3
139.00377	5.1
140.01126	2.2
141.01988	2.1
145.02934	1.4
151.00389	15.5
153.01965	1.9
161.02452	2.0
161.04582	2.0
168.00655	4.4
169.01443	53.2
170.01755	2.3
178.99898	1.6
191.03596	1.6
193.82639	1.3
211.02507	3.4
243.02898	1.6
247.02467	1.3
249.06268	1.4
253.03520	1.7
255.02928	4.7
259.13663	4.4
270.24500	1.3
271.02313	6.0
271.05005	1.8
281.53192	1.5
300.02698	15.5
301.03464	10.5
313.05649	11.2
347.11386	1.9
446.10956	100.0
447.09448	26.9
509.16757	18.6
509.29175	2.3
510.17203	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	509.1301
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03451	1.3
59.01369	2.4
60.69059	1.2
61.98843	3.0
67.01891	1.7
67.53883	1.0
69.03452	1.8
69.71802	2.3
69.72219	4.1
71.01381	7.6
72.99293	1.5
73.02924	2.6
74.99099	8.0
75.00891	1.6
79.01892	2.3
83.01379	3.3
85.02947	5.1
87.00886	2.4
93.01698	1.1
95.01360	3.5
97.02955	1.1
99.00861	1.6
99.04543	1.7
101.02434	4.6
107.01392	14.6
110.00105	1.9
111.00883	7.6
113.02449	3.3
118.75818	1.0
123.00886	26.0
123.04510	3.1
124.01658	2.7
125.02452	70.4
126.02798	2.8
127.00344	1.7
136.05283	4.7
136.99059	9.9
137.06100	2.6
139.00377	11.9
139.03969	1.6
140.01160	13.5
141.01894	4.0
149.06056	5.4
150.06863	23.2
151.00385	18.4
151.03879	1.0
151.07680	8.9
153.01903	1.8
161.02397	1.3
161.04549	1.4
163.04074	2.1
165.01955	1.6
165.05565	4.6
168.00641	12.1
169.01427	93.8
170.01729	3.2
177.05551	7.2
179.03529	1.9
180.04234	1.4
195.06610	2.1
211.02429	4.7
223.02591	1.9
241.03549	1.2
252.57715	1.3
271.04742	2.9
275.02127	1.0
297.06079	5.6
300.99869	3.0
313.05643	19.2
314.05930	2.0
315.98605	2.3
331.01050	2.9
349.22488	1.1
357.11850	2.8
361.79724	1.2
422.58987	1.1
465.07324	2.4
465.14020	49.2
466.14304	6.2
491.11908	89.9
492.12271	7.5
509.12958	100.0
510.13379	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	509.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98822	1.9
64.06203	1.1
64.32526	1.1
71.01387	4.8
71.60950	1.4
73.02947	1.5
74.03130	1.1
74.99084	3.2
75.00864	1.5
83.01363	1.3
85.02953	1.7
87.00896	1.7
89.02458	2.5
95.01353	2.0
96.95983	1.8
101.02450	3.1
107.01411	1.5
111.00813	1.7
113.02450	2.0
117.03434	1.5
123.00839	2.9
125.02468	8.2
133.02931	3.0
135.04544	1.7
135.98396	1.6
136.99078	2.7
137.02429	2.9
139.00372	1.7
140.01173	1.1
140.88846	1.1
145.02948	4.1
147.00827	1.4
147.04498	2.0
148.01648	1.2
151.00203	1.4
151.03937	1.4
159.00896	1.2
160.01663	2.5
161.02469	16.7
163.00365	3.3
165.01877	2.9
168.00690	1.3
169.01453	7.6
171.00883	1.1
172.01613	1.5
173.02391	1.6
175.03973	1.2
176.01134	3.0
177.01926	2.3
178.99879	1.4
179.03448	1.6
187.00337	5.7
187.03928	1.5
188.01114	4.1
189.01895	4.3
190.02704	4.2
190.99908	2.7
191.03442	3.2
195.06592	1.7
200.01033	1.3
201.01941	2.6
202.02557	1.5
202.99770	2.2
203.03448	4.2
209.00793	1.6
211.02484	2.6
214.99847	10.0
216.00679	11.1
217.01378	12.7
218.99472	1.3
219.02974	3.9
229.01326	4.0
230.02116	3.0
230.99359	10.1
231.02979	5.0
232.00038	3.0
233.00966	1.5
242.99295	3.6
244.00122	4.4
245.00815	2.1
247.02458	7.8
249.03983	1.6
257.00946	1.8
257.97919	1.8
258.01627	6.0
258.98813	2.8
259.02313	3.4
259.99631	10.3
261.00266	3.0
270.98746	2.2
271.04486	1.4
271.99481	1.3
274.01224	1.4
275.01974	12.7
276.02292	1.2
277.03549	5.6
286.98416	12.8
290.00854	1.6
300.99869	2.6
302.00604	3.1
303.01465	14.7
304.01880	1.5
314.97864	2.6
317.10376	1.2
318.00296	9.6
321.02481	2.6
330.00204	2.6
345.99573	5.8
347.00363	10.8
347.11188	2.8
389.01514	29.8
390.01627	1.9
405.04587	3.4
419.02454	3.5
429.13980	4.6
433.04080	1.9
449.03653	50.8
450.04153	6.6
465.06757	4.6
465.13837	1.9
477.43735	1.5
491.11923	4.0
509.05658	100.0
509.12405	6.3
510.06003	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	509.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47257	1.7
59.01378	9.5
61.98835	5.7
71.01379	9.9
71.60062	2.1
74.80437	1.8
75.00889	2.2
78.95924	2.3
83.01430	2.7
84.71416	1.6
85.02962	2.1
89.02444	3.1
94.72143	1.9
95.01405	1.8
96.96027	3.3
101.02458	4.4
107.01385	3.7
108.02200	3.2
109.02972	1.9
111.00909	3.9
113.02466	1.9
115.01826	1.6
117.03487	3.7
119.05052	2.0
121.02976	2.5
123.00877	9.2
123.04516	3.0
125.02451	27.8
126.02811	2.0
131.01440	2.6
132.02164	3.9
135.04529	3.4
137.02448	3.1
139.00371	3.4
140.01170	2.1
141.01942	1.8
145.02986	6.2
147.00940	3.3
147.04506	3.0
148.01653	5.0
149.02452	4.2
151.00346	3.7
151.04015	2.3
159.00931	2.5
159.04570	2.8
160.01683	4.9
161.02469	17.7
163.00441	7.0
163.04024	6.9
164.01143	2.2
165.01947	5.1
168.00702	4.2
169.01447	22.3
170.01741	2.3
172.01743	2.2
173.02481	4.2
175.04102	2.1
176.01122	7.0
177.01915	3.3
177.09174	3.3
179.03563	2.7
187.00409	11.6
187.03992	3.5
188.01111	8.2
189.01910	9.2
190.02730	8.0
190.99928	7.4
191.03500	4.9
192.00710	2.5
193.01503	5.4
200.01120	1.9
201.01947	8.0
203.00055	1.8
203.03500	6.1
204.04089	2.4
205.01431	3.7
211.02470	17.9
214.99875	13.1
215.03447	2.2
216.00650	22.7
217.01405	35.8
218.01855	2.5
218.99339	4.6
221.00964	2.0
229.01416	7.6
230.02098	3.7
230.99452	6.0
231.03032	6.0
232.00156	5.1
233.00850	2.6
242.99423	11.3
243.02966	2.2
244.00136	9.7
244.03835	4.1
245.00900	5.6
247.02504	7.6
249.04099	5.2
257.00916	4.2
258.01691	6.4
259.02533	12.0
259.06180	3.7
259.99594	18.0
261.00449	3.1
271.04669	13.9
273.00494	2.7
273.07831	2.6
275.02036	23.0
276.02493	3.6
277.03683	9.2
285.00565	3.0
285.07599	3.5
285.12491	1.9
286.98340	12.3
291.01523	2.3
299.99075	4.0
301.00006	11.5
302.00662	5.1
303.01450	42.0
304.01810	4.0
313.05634	2.8
314.05667	2.1
314.97739	4.0
318.00174	2.9
321.02554	8.3
328.99661	2.0
330.00305	4.6
331.01080	3.1
345.02563	2.1
345.99619	4.8
347.00418	14.0
347.07617	10.9
347.11542	2.5
357.15573	3.1
358.13577	1.9
363.03961	2.1
389.01312	9.2
405.04532	8.0
422.04871	2.4
428.09464	4.1
447.15204	4.9
449.03720	32.6
450.03922	3.5
465.06812	20.2
509.05817	100.0
509.13675	14.8
509.16910	19.4
510.06268	14.2
510.13055	2.7
510.17514	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	508.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03442	0.6
59.01382	5.3
61.98835	100.0
69.31071	4.3
69.31471	1.0
71.01390	4.7
72.01737	0.8
73.02944	1.1
75.00881	0.5
85.02967	2.0
89.02461	1.2
91.82813	0.6
95.01418	0.7
99.00854	0.6
101.02445	3.1
105.48257	0.5
107.01385	1.2
109.02965	9.1
110.03283	2.7
111.00879	1.3
113.02444	1.3
121.03004	0.4
123.00928	1.8
123.04486	0.7
124.01697	0.6
125.02456	3.9
126.02824	0.8
135.00958	0.6
135.90923	0.5
137.02455	0.8
139.25047	0.5
145.02997	0.6
148.78120	0.5
151.00302	0.8
152.01193	0.9
153.01955	13.5
154.02281	5.3
161.02417	1.7
161.04558	0.9
163.03999	0.7
169.01447	3.3
170.01733	1.0
179.03523	0.6
195.02853	0.5
201.63461	0.5
270.98807	1.7
298.98279	2.8
299.99170	1.1
313.05737	0.5
325.52164	0.5
339.29105	0.6
355.92371	0.5
448.22064	0.6
508.15607	2.9
508.22659	42.2
509.16031	0.5
509.23291	4.1
509.30875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.35514	2.9
88.98817	2.3
90.24175	1.1
92.18663	1.1
106.52146	1.0
139.04089	1.4
153.05586	7.0
167.03487	1.1
174.61574	1.2
180.04233	1.9
207.06673	1.3
209.23798	1.1
292.73206	1.2
318.18399	1.2
325.79855	1.1
445.26208	31.8
446.26062	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	508.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.70548	5.2
69.70965	3.5
71.60250	1.2
77.86086	1.3
77.92496	1.3
85.06602	3.1
111.04534	2.4
123.10030	1.3
153.05560	17.7
445.26050	45.6
446.26169	5.7
509.31183	2.3
510.66675	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	508.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03445	3.1
61.98833	100.0
69.58824	10.3
69.59230	6.5
82.78368	2.8
85.05933	2.4
87.00824	3.6
99.04516	4.5
144.37303	2.6
149.07402	2.8
152.24075	2.7
153.05554	21.0
170.11707	2.8
381.30130	5.6
432.22046	3.4
434.31396	3.1
445.25879	46.1
446.26245	4.5
493.68143	2.7
509.25476	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	508.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
61.98833	1.3
65.79430	0.7
71.01389	4.0
73.02951	3.5
85.02934	1.4
87.00874	1.0
91.50876	0.8
95.01389	1.6
101.02448	2.5
103.04037	1.1
107.01418	4.4
113.02446	2.6
123.00896	10.7
125.02468	18.1
131.03490	3.8
135.74432	0.8
139.00357	2.6
140.01178	1.7
141.01991	1.5
151.00383	9.4
152.40735	0.8
168.00716	1.6
169.01442	34.2
196.40373	0.9
211.02496	2.3
212.17442	0.9
256.56818	0.9
271.04593	3.0
313.05719	10.5
357.08493	0.8
387.09418	5.4
399.09308	2.5
445.09875	100.0
446.10294	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	507.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.3
57.03228	0.4
57.03457	4.4
58.00593	1.4
59.01386	21.2
60.13800	0.4
61.98845	2.8
68.99813	0.5
69.03477	0.7
71.01390	41.1
72.01711	0.8
72.69901	0.4
72.99307	1.7
73.02958	13.2
75.00886	1.3
81.03505	0.5
83.01400	7.8
83.04993	0.5
85.02963	22.3
86.00108	1.1
86.03313	0.7
87.00885	2.3
89.02457	6.5
95.01385	4.3
96.96040	0.8
97.02937	1.1
98.20625	1.5
99.00887	5.8
101.02456	32.3
102.02768	0.8
109.03005	0.5
111.00900	4.2
113.02463	16.5
114.02843	0.5
119.03529	2.5
124.01657	0.7
125.02450	1.8
129.01927	1.2
131.03580	0.6
137.02451	0.9
139.04042	2.5
143.03502	2.2
144.79599	0.6
148.22870	0.4
154.53452	0.4
156.57491	0.5
157.12337	0.6
159.03033	4.3
161.04585	13.3
163.04083	0.5
168.19238	0.5
176.03545	1.1
185.15536	0.8
205.03508	0.6
229.27589	0.5
257.17642	0.7
285.53226	0.5
299.25754	2.3
343.28668	0.6
345.26553	0.5
345.30136	12.6
346.30548	1.1
363.68787	0.5
374.78836	0.5
425.80463	0.5
507.35446	100.0
508.22394	1.0
508.35794	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	507.354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92850	0.4
55.01883	4.6
57.03453	5.2
58.00599	3.0
59.01384	58.7
60.01706	0.5
61.98827	1.4
65.69880	0.5
67.01912	0.7
68.10223	0.4
69.03458	0.8
70.42100	0.4
71.01386	69.6
72.01739	1.2
72.99308	4.1
73.02953	16.5
75.00886	1.4
76.47385	0.4
78.66334	0.4
83.01400	10.5
85.02957	28.8
85.06599	0.9
86.00098	0.8
87.00877	4.9
87.04556	0.5
88.97186	0.4
89.02451	34.3
95.01388	6.1
96.96030	0.5
97.02956	1.5
98.19912	1.2
99.00895	6.5
101.02451	58.2
102.02801	0.6
111.00224	0.5
111.00879	2.9
113.02455	30.5
114.02802	0.7
119.03510	15.4
120.03818	0.5
124.01645	0.6
125.02457	5.1
129.01933	1.3
131.03519	2.2
139.03888	0.6
143.03494	4.2
148.05388	0.5
149.04562	1.3
153.05600	0.8
153.69772	0.4
159.02982	5.9
160.01672	2.0
161.04565	20.1
162.04950	0.5
171.13931	0.7
175.03973	1.7
179.05627	5.0
179.07155	0.9
195.17517	2.2
205.03537	0.6
249.01196	0.5
299.26285	0.9
343.28577	1.3
345.30115	28.1
346.30331	2.4
507.22662	3.3
507.35373	100.0
508.23260	0.8
508.35724	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	507.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.4
57.03452	4.7
58.00602	1.9
59.01384	27.4
60.01716	0.3
60.04466	0.3
61.98832	1.4
67.01888	0.4
69.03442	1.1
69.35525	0.5
69.35937	1.9
71.01387	54.9
72.01728	0.4
72.99311	2.2
73.02952	17.1
74.03322	0.3
75.00877	0.8
76.50179	0.3
83.01395	8.9
84.02204	0.3
85.02959	26.5
86.00117	0.6
86.03273	0.5
87.00878	2.5
89.02451	13.1
93.03479	0.4
95.01400	4.5
96.96037	0.6
97.02944	2.4
98.20660	0.7
99.00890	8.9
101.02451	37.8
102.02793	0.6
111.00897	4.2
113.02458	21.8
114.02787	0.4
115.04006	0.4
119.03495	3.0
121.02968	0.7
123.00889	0.6
123.04530	0.6
124.01674	4.0
125.02470	3.7
129.01974	1.6
131.03523	1.3
135.04536	0.7
139.04021	3.6
141.01978	0.8
143.03508	2.9
145.02943	0.5
149.04573	2.2
153.02026	0.3
153.05562	0.6
159.02985	5.1
161.04565	20.9
162.04935	0.7
163.03951	0.3
167.10780	0.5
171.13933	1.2
176.03525	0.8
179.05673	0.5
179.10779	1.1
180.07953	1.9
185.15468	0.3
191.05681	0.5
195.10361	0.4
205.03522	0.7
208.07394	0.8
211.13419	1.0
223.09795	3.8
233.06717	1.0
251.03612	0.4
265.05060	0.6
293.08850	2.0
299.25919	2.6
301.99292	0.3
315.25272	0.5
330.74014	0.3
345.26688	0.5
345.30112	13.4
346.30457	1.5
432.11703	0.4
447.14520	0.6
447.22269	1.0
459.14658	0.9
462.16794	1.1
474.16837	0.6
477.19275	4.3
478.19452	0.8
489.19138	2.9
490.19489	0.4
507.35449	100.0
508.35803	13.6
529.33875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
57.03456	5.2
58.00588	1.4
59.01384	36.3
68.99819	0.5
69.03462	0.7
71.01387	50.0
72.01691	0.4
72.99323	2.3
73.02954	15.7
74.03317	0.4
75.00876	1.0
83.01393	8.7
85.02957	25.3
86.00134	1.1
86.03290	0.5
87.00893	3.1
89.02450	13.1
95.01405	4.3
97.02953	1.0
99.00890	7.1
101.02451	41.7
102.02781	0.8
111.00880	4.4
113.02460	21.2
114.02767	0.8
119.03520	5.7
124.01644	1.4
125.02443	1.3
129.01938	1.2
130.23189	0.5
131.03523	1.0
139.03981	2.2
143.03485	3.2
155.49374	0.4
159.03008	5.1
161.04570	17.8
171.13911	1.2
179.05615	1.7
209.19147	0.9
213.14951	0.7
229.56729	0.6
230.42014	0.4
299.25974	1.8
343.28595	0.5
345.30090	19.5
346.30469	1.8
507.35388	100.0
508.35687	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	507.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74443	10.3
59.01376	10.6
61.98832	83.3
63.38388	10.5
64.67255	10.0
70.12261	21.4
70.12654	24.3
75.57758	9.1
78.95912	30.6
125.02431	18.8
139.04019	12.8
152.99571	38.3
169.78787	11.1
207.95802	10.4
229.54944	10.9
250.45982	10.3
279.23297	100.0
307.12845	9.8
422.26431	15.4
441.93686	11.1
507.27130	65.0
511.54572	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	507.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.68344	28.7
69.68761	15.0
121.22615	6.9
125.06909	7.0
134.33286	6.9
136.39603	7.6
136.66663	6.7
153.05557	14.3
168.77892	7.0
445.25906	59.0
468.56418	6.6
471.34836	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60590	1.2
60.99314	18.3
61.98822	2.4
64.57650	1.2
69.11634	1.3
69.53458	7.0
75.15449	1.5
85.06449	1.5
88.98816	100.0
95.94386	1.3
102.76930	1.2
107.20095	1.5
126.16771	1.4
137.54341	1.1
139.03862	1.7
150.44186	1.4
162.95947	1.8
231.87669	1.7
279.23251	2.1
316.44125	1.3
374.15591	1.4
386.24643	1.4
399.12881	1.8
417.26474	5.3
418.26749	1.8
471.18228	4.7
483.14929	1.3
507.27255	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	507.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31793	0.4
51.96113	0.4
53.63162	0.5
57.69249	0.5
59.01406	1.1
61.98838	3.8
70.18394	0.5
70.18728	1.8
73.88663	0.5
75.00913	0.8
78.95913	24.5
84.03570	0.5
88.51195	0.5
96.96999	1.9
99.39201	0.5
113.02441	0.5
151.04080	1.4
152.99605	37.1
153.99944	0.7
171.00710	1.8
200.24776	0.5
227.03308	4.4
245.04413	1.7
255.23163	0.7
256.23605	0.7
257.24109	0.7
261.22293	0.8
279.23318	100.0
280.23621	9.9
322.74924	0.5
329.13037	0.5
415.22586	1.3
433.23627	0.8
507.27231	62.4
508.27686	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53115	0.5
52.50235	0.5
54.87751	0.5
57.01425	0.5
59.01095	0.9
59.01387	16.4
60.67582	0.5
61.98839	3.7
63.94346	0.5
71.01395	6.4
72.82395	0.6
73.02947	1.9
82.99293	0.6
83.01392	0.9
85.02946	2.2
89.02460	6.1
90.58184	0.5
93.03437	1.3
96.96053	1.4
99.00897	1.4
101.02461	5.2
109.02954	0.8
113.02448	2.8
119.03519	1.3
123.00875	0.7
124.01690	1.9
125.02477	1.3
135.04538	2.7
137.02448	2.8
137.06142	0.6
139.04018	3.0
149.04559	1.2
151.37039	0.6
153.01915	0.6
161.04553	1.9
167.14413	0.6
179.03506	3.9
179.10864	0.6
181.05043	1.4
183.13899	6.2
193.12317	1.1
211.13408	100.0
212.13708	5.4
235.08348	0.6
239.05646	1.0
253.09279	14.3
253.11800	1.0
254.09596	0.7
315.18466	0.7
375.24323	0.6
407.43713	0.6
447.22351	5.7
448.22409	0.7
507.23206	3.8
507.30563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2238
Annotation	Milolide K
Peak:m/z	Relative Intensity
53.55310	0.4
55.01873	1.3
56.49711	0.4
57.03446	1.2
57.60548	0.5
59.01384	8.9
61.98836	27.7
69.03432	0.5
69.24270	0.5
69.53239	2.6
71.01390	9.8
71.05023	0.5
72.99305	0.9
73.02946	3.1
81.03461	1.2
83.01398	2.4
83.05067	0.6
84.16026	0.5
84.59602	0.4
85.02960	3.8
87.00880	1.3
89.02457	3.4
91.01920	0.5
93.03477	0.6
95.01391	2.0
98.19852	0.5
99.00894	1.5
101.02457	5.5
103.03954	0.5
104.77930	0.5
107.01398	1.9
108.02182	0.9
109.02959	26.8
111.00880	2.0
113.02480	3.3
113.09830	0.5
117.05571	1.6
118.94365	0.5
119.03495	0.7
119.05002	0.8
121.02957	0.9
123.00859	3.4
123.04514	1.3
124.01684	2.2
125.02446	5.5
135.00890	2.1
135.04515	1.1
137.02431	1.2
139.00365	1.0
139.04001	0.7
145.02950	1.6
149.02467	0.7
149.04594	0.6
151.00383	1.1
152.01198	2.2
153.01947	39.9
154.02301	1.6
159.03134	0.4
161.04588	0.5
163.04024	2.1
164.04863	0.5
165.05556	0.7
167.03450	0.9
169.01433	3.6
178.06276	0.5
179.03476	1.0
179.07130	1.2
183.13853	0.8
189.09296	0.5
195.03058	2.2
209.15446	1.5
237.04070	0.9
240.51138	0.4
255.05103	1.4
313.05679	1.3
327.12457	1.6
331.21024	0.6
375.23718	0.5
394.75745	0.4
447.22403	2.0
492.17688	1.0
507.15616	3.6
507.22351	100.0
508.15207	0.7
508.22736	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	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01400	2.2
60.99306	15.9
61.98833	18.8
69.03474	1.5
71.59976	1.7
78.95928	3.0
81.03484	2.1
82.95801	1.3
83.01390	2.3
85.02955	3.9
88.98812	100.0
92.65092	1.4
95.87893	1.4
97.02982	1.7
109.03002	1.7
125.02460	5.3
129.86063	1.3
139.04030	2.1
143.26492	1.7
145.02995	1.7
151.00420	1.8
153.05577	4.9
160.95186	1.4
167.03485	17.0
181.05046	1.5
193.04974	1.4
197.71951	1.3
210.05330	1.9
228.74493	1.3
248.33899	1.3
251.12962	2.8
271.02103	1.4
325.77112	1.4
407.24399	2.0
417.22876	17.9
444.24695	3.9
447.23758	3.0
489.24966	1.8
507.25629	3.9
507.28842	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55310	0.4
55.01873	1.3
56.49711	0.4
57.03446	1.2
57.60548	0.5
59.01384	8.9
61.98836	27.7
69.03432	0.5
69.24270	0.5
69.53239	2.6
71.01390	9.8
71.05023	0.5
72.99305	0.9
73.02946	3.1
81.03461	1.2
83.01398	2.4
83.05067	0.6
84.16026	0.5
84.59602	0.4
85.02960	3.8
87.00880	1.3
89.02457	3.4
91.01920	0.5
93.03477	0.6
95.01391	2.0
98.19852	0.5
99.00894	1.5
101.02457	5.5
103.03954	0.5
104.77930	0.5
107.01398	1.9
108.02182	0.9
109.02959	26.8
111.00880	2.0
113.02480	3.3
113.09830	0.5
117.05571	1.6
118.94365	0.5
119.03495	0.7
119.05002	0.8
121.02957	0.9
123.00859	3.4
123.04514	1.3
124.01684	2.2
125.02446	5.5
135.00890	2.1
135.04515	1.1
137.02431	1.2
139.00365	1.0
139.04001	0.7
145.02950	1.6
149.02467	0.7
149.04594	0.6
151.00383	1.1
152.01198	2.2
153.01947	39.9
154.02301	1.6
159.03134	0.4
161.04588	0.5
163.04024	2.1
164.04863	0.5
165.05556	0.7
167.03450	0.9
169.01433	3.6
178.06276	0.5
179.03476	1.0
179.07130	1.2
183.13853	0.8
189.09296	0.5
195.03058	2.2
209.15446	1.5
237.04070	0.9
240.51138	0.4
255.05103	1.4
313.05679	1.3
327.12457	1.6
331.21024	0.6
375.23718	0.5
394.75745	0.4
447.22403	2.0
492.17688	1.0
507.15616	3.6
507.22351	100.0
508.15207	0.7
508.22736	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	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60700	1.4
60.99314	13.8
61.49464	1.3
61.98828	5.1
70.17018	1.0
71.60647	2.2
79.47865	1.2
88.98816	100.0
89.99139	1.3
113.17300	1.1
115.05385	1.2
125.02467	5.4
153.05576	2.2
179.54370	1.1
417.22818	24.3
418.23407	3.0
450.50256	1.3
477.16965	1.4
507.36819	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	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22115	1.3
57.03465	1.7
59.01374	2.1
60.99310	13.8
61.98831	4.3
66.02202	1.3
69.39396	9.5
81.03486	1.8
88.98809	100.0
89.64027	1.1
125.02433	5.0
209.11797	6.3
223.13449	4.7
417.22858	31.4
418.23135	3.0
502.97299	1.2
507.36176	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	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01400	2.2
60.99306	15.9
61.98833	18.8
69.03474	1.5
71.59976	1.7
78.95928	3.0
81.03484	2.1
82.95801	1.3
83.01390	2.3
85.02955	3.9
88.98812	100.0
92.65092	1.4
95.87893	1.4
97.02982	1.7
109.03002	1.7
125.02460	5.3
129.86063	1.3
139.04030	2.1
143.26492	1.7
145.02995	1.7
151.00420	1.8
153.05577	4.9
160.95186	1.4
167.03485	17.0
181.05046	1.5
193.04974	1.4
197.71951	1.3
210.05330	1.9
228.74493	1.3
248.33899	1.3
251.12962	2.8
271.02103	1.4
325.77112	1.4
407.24399	2.0
417.22876	17.9
444.24695	3.9
447.23758	3.0
489.24966	1.8
507.25629	3.9
507.28842	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06954	3.2
99.92594	9.6
116.92865	100.0
117.92844	4.8
121.05795	2.9
155.66841	2.9
171.10265	3.6
171.80853	2.8
221.71927	2.7
395.03986	3.2
500.55371	3.1
526.58826	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05845	1.0
59.01385	49.4
61.98832	4.3
69.03493	1.2
70.22488	4.5
71.01389	17.8
72.76511	1.1
72.99323	1.2
73.02954	5.3
74.90577	1.4
81.19773	1.1
83.01373	1.9
85.02948	5.0
87.00871	1.8
88.27202	1.1
89.02440	11.7
93.03471	20.2
94.03769	1.2
95.01382	4.3
97.02950	2.1
99.00912	2.4
101.02453	12.2
102.02772	1.4
104.61515	1.2
107.01395	3.8
111.00896	3.4
112.12318	1.1
113.02450	8.3
117.05553	1.5
118.91013	1.2
119.03487	4.2
119.05009	1.8
123.00897	6.7
124.01675	3.5
125.02452	29.8
131.03525	2.0
132.02202	7.5
134.03743	4.6
135.04539	5.0
136.01628	5.1
136.98842	1.8
137.02457	49.6
138.02769	3.0
139.00374	10.5
139.04012	3.1
140.01140	4.7
145.02953	1.2
149.02464	1.5
149.06052	1.3
151.00385	3.7
151.03964	2.2
153.01952	3.2
154.02718	5.0
158.48067	1.1
160.01665	31.2
161.02364	1.6
163.03979	2.0
163.11359	5.5
168.00662	10.3
168.04318	1.7
169.01437	37.0
169.05055	4.1
170.01738	1.3
175.04008	34.8
179.03503	20.6
180.03850	3.2
183.03011	1.5
183.10309	2.0
193.05101	7.6
207.10295	8.1
209.04561	2.8
211.02489	51.1
212.02919	2.4
217.16093	1.2
239.05589	9.1
241.03578	1.0
241.06071	1.2
271.04599	100.0
272.04892	4.5
313.05667	1.1
331.06711	11.0
337.09320	10.6
369.15509	3.5
387.16650	53.1
388.17032	4.3
397.88550	1.1
441.90518	1.3
447.16547	3.8
489.17944	2.1
507.18311	61.3
507.24524	2.2
508.18735	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	507.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89735	0.7
55.01871	1.2
57.03443	1.4
59.01384	11.0
61.98841	7.5
69.36858	5.4
71.01384	17.5
73.02960	5.2
73.70222	0.6
75.00889	0.9
81.81209	0.6
83.01398	2.7
85.02958	8.4
87.00867	1.0
87.55993	0.6
89.02461	6.0
90.45135	0.6
93.03413	0.8
95.01390	2.5
96.96033	0.8
98.20677	1.5
99.00901	2.2
101.02451	10.8
109.02982	1.3
109.91373	0.7
111.00903	1.6
113.02471	7.4
119.05030	1.7
121.02988	1.1
123.00899	16.8
123.04519	0.8
124.01672	100.0
125.01898	1.2
125.02465	1.0
131.03574	1.1
133.03009	0.8
133.10257	3.7
135.11816	7.9
136.12138	0.9
138.03214	4.0
139.04021	80.1
140.04356	2.5
143.03517	2.0
145.03004	1.1
146.07332	1.3
149.04559	2.3
151.45808	0.7
159.03014	1.9
159.08163	1.6
161.02448	1.1
161.04570	11.0
161.09723	13.1
163.04007	1.2
165.05611	0.9
167.03529	0.8
169.01489	0.9
173.78111	0.7
175.03951	0.8
179.05608	0.7
179.10782	31.2
180.11124	1.4
226.11702	0.7
227.58430	0.7
245.11919	1.2
247.09547	0.6
258.72314	0.7
273.20871	0.7
283.08151	1.2
293.08691	0.7
301.09344	5.0
323.15002	2.2
375.23502	0.8
427.29056	0.7
447.22098	3.4
463.19760	1.2
477.19330	1.8
507.18942	9.6
507.27133	1.4
507.35623	1.1
508.19006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03450	0.5
58.85870	0.4
59.01386	3.9
61.98834	2.9
65.00340	0.5
67.01906	1.2
68.99816	0.5
69.03458	1.1
69.53279	0.6
69.53692	1.9
71.01389	6.4
72.99306	1.0
73.02946	0.7
78.01121	0.4
79.01891	1.0
81.03462	0.7
83.01405	2.0
85.02961	1.5
87.00884	0.7
89.02437	2.1
95.01386	1.6
97.02957	1.5
99.00900	0.8
101.02470	2.7
105.12340	0.3
107.01398	11.2
107.02129	0.6
109.02978	0.9
110.00105	0.4
111.00874	4.8
113.02460	2.0
117.05619	0.5
119.03484	0.5
123.00898	10.4
124.01692	2.8
125.02456	63.7
126.02775	2.1
127.00383	2.1
135.04544	2.2
136.98828	2.2
137.02461	1.6
139.00386	6.4
139.04008	2.1
140.01173	6.7
141.01955	0.9
143.03534	0.4
145.03001	1.1
149.02502	0.5
149.04556	0.6
151.00375	6.0
153.01915	1.5
154.99878	0.6
161.16948	0.4
163.04024	12.1
164.04828	2.5
165.01920	0.5
165.05550	0.5
166.99911	0.4
167.03484	1.2
168.00671	8.0
169.01434	71.2
170.01732	2.2
178.06363	10.2
179.03534	0.7
179.07120	2.6
183.03008	3.0
193.08733	3.5
211.02518	1.0
223.02449	0.6
241.03574	1.4
253.03517	0.7
269.03043	0.3
297.06079	2.9
313.05670	28.5
314.05960	1.6
327.07208	4.5
327.12845	0.4
507.15063	100.0
508.15439	11.3
508.22031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45100	12.6
61.98836	100.0
64.85853	11.8
65.65862	12.5
71.61024	17.2
81.99899	11.5
89.49482	12.3
95.05070	10.3
114.70348	10.8
124.43061	12.3
151.06874	12.1
161.26672	10.9
167.51253	13.0
267.80032	13.8
393.74686	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	507.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54359	1.0
55.01880	1.3
57.03443	1.2
59.01383	9.2
61.98827	3.8
67.01877	2.6
69.03458	1.7
69.31990	7.8
69.32406	1.4
71.01386	10.9
72.99306	2.3
73.02951	2.3
74.99091	1.1
79.01868	2.1
83.01376	2.0
83.29877	1.0
85.02963	4.9
87.00867	1.8
89.02430	4.2
95.01392	3.8
96.96020	1.2
97.02940	1.8
99.00874	1.5
101.02480	4.8
107.01394	8.6
108.02159	1.8
109.02944	2.5
111.00898	3.1
113.02464	4.0
117.05563	4.3
119.03490	1.2
119.05002	2.2
120.99664	1.9
121.02949	1.5
123.00892	21.0
123.04514	1.5
124.01654	4.0
125.02450	49.2
132.02142	2.0
133.03000	5.5
134.03749	25.9
135.04550	6.7
135.98335	4.0
136.98985	1.9
137.02370	2.6
139.00377	7.8
139.04008	2.0
140.01102	3.3
141.01898	1.4
145.02934	3.9
147.04517	4.1
148.05223	1.9
149.02444	3.5
149.06119	5.9
150.03201	6.4
151.00378	13.5
151.03912	1.2
153.01942	1.6
155.10733	1.2
160.01651	9.7
161.02449	6.1
161.04562	2.0
163.03976	2.6
164.04842	1.8
164.98245	1.1
165.01991	1.6
165.03825	0.9
165.05545	1.8
167.03523	1.4
167.69852	1.2
168.00661	5.4
169.01425	64.6
169.05038	3.9
170.01819	2.2
174.03183	1.1
175.03996	16.4
176.04752	11.7
177.01909	2.1
177.05478	1.5
178.02678	2.8
179.03535	4.8
182.99321	2.1
183.02948	4.8
183.10252	2.7
191.07127	14.3
192.04352	1.4
192.07574	1.3
193.01381	2.8
193.05064	27.3
194.05347	1.1
195.06352	1.0
195.49159	1.1
207.06621	2.7
211.02477	11.5
220.03688	3.3
221.04544	2.2
235.04007	1.4
235.06119	16.0
251.05615	2.0
253.03514	1.6
265.07095	7.1
267.06628	1.1
275.01883	1.3
281.06717	1.5
295.08215	6.8
297.07819	1.2
300.99860	1.4
302.25351	1.2
313.05594	7.0
323.07758	9.5
331.06723	2.7
337.09299	3.5
341.08606	2.2
355.10205	1.1
371.89481	1.0
374.22598	2.7
375.22534	1.1
433.71173	1.1
444.16501	1.1
447.09161	2.8
461.15741	2.0
506.26813	4.6
507.11362	100.0
507.20035	19.3
507.26746	3.9
508.11719	11.4
508.20114	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3539
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
53.11861	0.5
57.03445	1.4
58.05412	0.5
59.01389	4.0
59.10548	0.5
61.98822	1.0
69.24456	0.6
70.61147	0.5
71.01388	2.0
71.05020	0.8
71.61198	0.7
73.02947	0.9
78.95934	0.6
85.02972	2.0
85.06596	0.6
87.04525	13.5
87.05055	0.8
89.02463	0.5
96.96011	0.8
101.02468	1.0
113.02446	0.5
115.30935	0.5
116.92869	0.7
125.02419	1.3
139.04030	0.9
153.05550	2.8
237.89110	0.5
292.48865	0.6
302.60291	0.6
325.25342	1.3
341.28586	2.3
371.29608	6.8
372.29822	0.6
373.31131	1.0
417.30240	1.2
461.32831	0.5
505.35489	100.0
506.35895	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	506.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36790	0.8
59.01380	5.3
61.98839	14.8
69.49520	7.2
71.01394	4.8
72.99307	3.9
73.02927	1.2
73.31190	0.9
76.48217	0.9
79.01898	0.9
79.33372	0.8
83.01411	1.2
84.39281	0.8
85.02953	3.0
87.00896	1.4
89.02462	2.1
95.01367	1.3
101.02451	3.2
102.98573	1.7
107.01405	2.6
111.00918	1.4
111.04533	3.2
113.02481	2.0
117.05621	1.2
120.99673	1.0
123.00904	8.2
125.02456	16.5
129.05554	1.3
135.04549	1.4
136.98944	1.0
139.00369	3.1
140.01184	2.0
141.01947	1.1
151.00345	6.6
168.00642	2.2
169.01453	23.3
170.01762	1.3
179.03542	2.9
200.60669	0.9
211.02505	6.7
211.05779	1.0
221.09735	7.5
265.08762	2.6
271.04611	8.4
283.04831	2.3
291.10910	5.1
309.07721	3.5
313.05627	2.9
327.08710	4.1
344.19226	1.0
345.09756	2.2
406.79382	1.0
443.11911	100.0
444.12259	12.1
506.12802	5.1
507.14990	10.1
526.22485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82484	1.0
54.50716	1.0
59.01369	1.5
59.63728	1.0
61.98837	100.0
70.17109	3.9
72.17717	1.1
74.29720	1.2
88.98820	1.7
98.19913	1.2
109.06611	1.2
111.04490	1.4
124.05299	4.4
153.05582	15.5
165.33418	1.3
167.21559	1.2
169.94894	1.1
179.03490	2.1
180.04300	4.6
194.05792	2.1
207.06686	1.5
263.12869	1.6
402.32687	1.2
443.24438	42.4
444.24753	2.8
505.35571	1.4
506.35794	1.4
507.36664	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	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84616	0.6
55.01879	6.5
57.03449	3.6
58.00599	2.0
59.01382	35.6
59.21593	0.6
63.76880	0.6
69.03496	0.9
71.01388	52.8
71.55464	0.7
72.99294	2.3
73.02956	16.5
75.00867	1.3
83.01395	9.7
83.39980	0.7
85.02956	25.8
85.06601	1.1
87.00895	2.0
89.02452	15.7
95.01404	5.3
97.02959	1.4
99.00877	6.7
101.02451	44.0
102.02779	0.8
111.00897	5.6
113.02463	22.6
119.03513	7.9
125.02460	1.7
129.01932	1.3
131.03474	1.5
133.11926	0.7
135.11848	1.2
141.12820	0.7
143.03523	3.8
159.02972	5.1
161.03224	1.0
161.04562	17.9
171.13904	11.0
179.05612	1.8
203.39946	0.7
229.59987	0.7
274.67529	0.6
341.26678	0.7
343.28525	24.0
343.32712	1.3
344.28787	1.3
366.90085	0.6
475.32492	0.9
495.07706	0.7
505.33865	100.0
506.34210	11.8
512.36505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.6
55.75832	0.3
57.03451	4.5
58.00594	1.5
59.01386	28.8
60.01673	0.4
61.98831	0.7
64.71462	0.3
69.03455	0.7
69.36608	2.6
71.01389	54.6
72.01736	0.4
72.99322	2.5
73.02956	17.6
73.15142	0.3
75.00890	0.8
83.01394	10.3
83.01881	0.7
85.02959	28.4
86.00102	1.2
86.03282	0.4
87.00877	2.6
89.02448	10.7
95.01400	4.3
97.02958	1.4
99.00891	7.7
101.02453	46.6
102.02793	0.8
111.00897	5.8
113.02460	23.2
114.02771	0.7
115.04035	0.5
119.03518	4.9
125.02470	1.6
127.11301	1.0
129.01967	1.3
131.03545	0.5
135.04509	0.6
135.11807	1.7
136.01701	0.7
137.02434	1.5
141.01955	1.1
143.03500	3.1
149.04587	0.6
151.04022	1.1
159.02980	5.2
161.04570	18.7
162.04982	0.4
171.13904	6.7
176.03455	0.3
179.05592	1.2
205.03642	0.7
223.86285	0.4
247.24335	0.4
280.68219	0.3
300.42935	0.4
313.27512	0.4
325.27399	0.5
341.27176	0.6
343.15591	2.5
343.28534	14.0
344.28973	1.8
450.44080	0.4
475.32614	0.9
487.32791	0.5
505.33875	100.0
506.34177	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	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.1
57.03450	4.7
57.23614	0.6
58.00594	2.7
59.01384	67.0
60.01718	0.8
61.98823	1.5
69.03440	1.1
71.01389	75.9
71.05016	0.7
72.99322	4.0
73.02950	15.9
75.00873	0.7
83.01395	10.0
85.02959	30.7
85.06580	1.7
86.00072	0.8
86.03296	0.7
87.00887	4.8
89.02451	35.8
92.36835	0.7
95.01382	6.6
96.96017	0.8
97.02986	1.6
98.20651	1.4
99.00898	6.9
99.08150	1.1
99.70761	0.6
101.02451	61.8
103.03960	0.7
111.00892	4.5
113.02459	29.5
119.03511	20.2
125.02457	2.8
129.01926	1.8
131.03517	1.9
135.11807	1.0
138.01990	3.4
141.01942	1.0
143.03485	4.8
149.04587	1.3
153.12852	0.9
159.03024	3.9
161.04565	18.1
161.05789	0.7
171.07878	0.7
171.13913	14.6
179.05659	5.3
205.03505	0.8
245.44637	0.7
283.26480	1.4
313.27502	0.9
325.27386	1.0
341.26752	0.7
343.28534	36.5
344.28839	3.3
443.31171	0.8
475.32547	1.2
487.32477	1.0
505.33905	100.0
506.34293	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	505.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45249	0.3
53.79113	0.3
55.01889	3.5
57.03457	3.5
58.00603	1.1
59.01386	24.9
60.99303	1.8
61.98821	0.5
67.01889	0.4
68.99796	0.3
69.03464	1.4
71.01390	48.2
71.05034	0.3
71.61678	0.4
72.01725	0.6
72.02149	0.3
72.99291	1.8
73.02954	22.4
75.00883	1.5
76.09090	0.4
80.68932	0.4
81.03459	0.6
81.68087	0.3
83.01393	8.3
85.02959	21.9
86.00138	0.5
86.03314	0.3
87.00880	3.6
88.98259	0.5
88.98814	11.6
89.02454	13.6
90.02786	0.3
94.49287	0.3
95.01396	3.4
96.96028	0.6
97.02955	3.0
99.00889	10.1
99.04532	0.8
101.02453	40.3
102.02791	0.6
107.01379	0.7
111.00883	1.5
113.02458	17.4
115.04020	1.5
117.03481	1.1
119.03522	2.3
119.04978	0.7
121.02916	0.4
123.00892	1.4
123.04579	0.4
125.02459	6.9
127.04026	0.4
129.01967	1.1
131.03500	2.9
139.00383	0.5
140.36894	0.3
141.01895	0.3
143.03523	2.0
145.02986	3.3
149.04552	2.5
150.46782	0.4
151.00307	0.6
159.03023	3.3
161.02441	0.8
161.04573	16.1
162.04887	0.5
164.76164	0.3
166.99947	0.5
168.00684	0.5
169.01439	7.1
179.05624	0.7
182.02214	2.0
190.45448	0.3
191.05637	0.9
197.04535	2.7
205.03514	0.4
211.02454	0.5
233.06657	2.3
241.03407	0.6
269.50809	0.3
271.04877	0.6
293.05905	0.3
293.08817	1.7
300.02878	0.4
301.03049	0.4
302.03833	0.8
307.08203	2.1
308.08652	0.3
313.05676	3.4
355.21384	0.5
366.91910	0.3
373.22324	44.9
374.22672	3.8
415.12503	9.8
416.12860	0.4
487.25592	0.5
505.26602	100.0
506.26935	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	505.3023
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.73035	0.8
51.97599	1.0
53.45528	0.9
55.01862	1.5
57.03442	1.9
58.45056	1.0
59.01383	14.4
61.98798	1.1
70.92909	2.3
71.01387	14.8
72.99319	4.4
75.00877	13.7
85.02960	21.0
87.00888	5.4
89.02456	3.8
90.59586	1.1
91.04046	1.1
95.01396	3.5
99.00890	9.3
101.02496	1.2
103.00382	2.5
113.01694	1.4
113.02455	25.7
114.02784	1.3
115.00391	1.2
116.42944	0.9
117.01927	1.6
120.08857	0.9
122.39581	1.0
129.01964	1.2
131.03461	1.0
132.45528	1.2
175.02478	3.5
205.07175	2.6
223.08308	1.5
249.06189	6.6
255.23302	68.9
256.23721	4.5
267.07245	6.6
316.88641	1.1
328.40341	1.1
487.29425	2.2
505.30197	100.0
506.30444	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	505.2575
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01382	5.0
61.98525	1.6
61.98837	25.6
71.61441	1.4
78.95916	27.3
80.89234	1.1
80.91686	2.8
88.98758	1.2
94.00815	1.1
96.96954	1.8
114.92171	0.9
122.51970	0.9
125.02422	1.5
152.99603	39.0
153.05573	3.3
171.00708	1.6
199.39865	1.1
227.03300	4.6
245.04404	2.0
277.21732	100.0
278.21982	7.5
299.42117	1.1
317.36157	1.1
422.09128	1.2
423.27530	3.4
423.32745	3.3
443.24271	3.8
469.33224	6.1
505.25778	68.2
505.35083	9.7
506.25732	6.2
506.36160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
57.03432	2.3
59.01383	23.1
61.98818	1.6
69.03436	0.7
71.01385	22.4
71.08302	0.8
72.99300	2.4
73.02950	9.5
83.01390	3.4
85.02954	12.0
87.00884	1.9
89.02448	11.2
95.01377	2.1
99.00887	9.8
100.40424	0.9
101.02451	20.2
111.00903	1.2
113.02457	9.6
119.03507	2.6
119.05000	1.2
125.02424	1.7
127.28783	0.9
129.01987	0.9
131.03456	1.7
133.03030	0.8
133.88708	0.8
135.04478	0.7
137.02440	2.7
137.03566	0.7
139.07887	0.8
143.03502	1.2
145.02946	2.1
149.04547	1.6
151.00331	1.4
153.01884	0.8
161.02394	1.4
161.04555	2.0
165.01918	4.4
179.03606	1.7
179.05493	1.0
180.04321	2.6
181.12411	2.0
191.05695	1.1
195.06628	2.8
198.62746	0.8
225.07681	3.1
229.05043	1.4
229.25359	1.0
271.06076	1.8
297.11914	1.3
298.57126	0.9
329.19690	3.2
373.18530	2.5
410.24417	0.9
411.50815	0.9
461.24051	5.6
462.11685	0.9
487.21539	1.2
505.22910	100.0
506.23444	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03445	1.9
58.00587	2.2
59.01385	42.4
61.98828	2.9
69.03452	1.0
69.73669	5.5
71.01385	36.3
71.58337	0.9
72.99296	1.9
73.02946	9.7
83.01390	2.4
85.02952	7.7
86.00084	1.5
87.00877	9.1
89.02451	33.5
93.03456	6.8
97.02965	1.3
99.00901	1.7
101.02447	18.6
110.90054	0.9
111.79961	0.9
113.02466	6.8
119.03501	3.0
125.02412	2.6
131.03500	26.2
135.04536	21.5
136.01707	2.3
137.02444	15.9
143.03519	1.5
149.04568	14.3
151.04027	2.7
161.04590	1.4
162.01520	1.0
162.10068	0.9
168.00641	1.1
169.01314	1.3
179.03499	38.4
180.03807	1.2
180.06462	1.1
181.12332	1.3
191.05614	15.1
209.04544	4.7
239.05600	13.3
255.16002	1.3
299.07553	1.7
299.12646	1.5
316.02234	1.8
334.62878	1.0
425.14212	1.6
426.43555	1.0
461.23398	1.1
482.36841	1.1
487.20465	1.0
498.15341	1.0
505.10513	5.8
505.22876	100.0
506.23257	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	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45007	0.4
57.03453	0.7
58.00609	0.4
59.01379	8.0
61.98840	1.5
64.24773	0.4
68.99792	0.4
71.01387	4.1
72.99326	0.6
73.02946	0.7
76.56904	0.4
83.01410	1.1
85.02955	1.6
87.00898	1.1
89.02451	2.8
93.03479	1.6
95.01400	0.7
98.20616	1.1
99.00885	0.7
101.02448	2.3
108.02198	1.4
109.02959	17.1
110.03310	0.4
111.00868	1.8
113.02464	1.0
117.05629	0.6
119.03520	0.6
120.07848	0.4
121.02983	1.2
123.00922	1.1
123.04552	1.5
124.01662	1.5
125.02477	0.9
135.04543	1.7
137.02478	5.7
137.03516	0.9
137.09743	1.8
139.03938	0.4
145.02940	1.3
149.02370	0.7
149.04655	0.4
151.00339	0.5
151.04022	1.5
152.01166	9.5
153.01942	29.4
154.02290	1.4
161.02481	0.8
163.04022	0.6
167.03549	1.1
175.04048	0.6
176.63612	0.5
179.03540	2.1
179.10776	1.2
181.05008	0.6
181.12366	0.8
195.02989	53.7
196.03339	2.1
205.12340	1.2
211.07697	1.2
225.04092	2.7
239.05688	0.7
243.12378	0.8
255.05104	100.0
256.05371	5.3
281.06708	3.2
293.08716	0.5
307.08191	0.6
315.07181	1.9
328.13232	0.8
341.84198	0.4
343.15448	1.3
461.18008	1.0
487.19666	2.8
504.34192	0.7
505.22006	3.5
505.34262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38840	0.3
57.03451	0.6
58.00612	0.4
59.01384	16.1
61.98856	1.0
69.03471	0.5
71.01388	4.6
71.05019	2.3
71.37705	0.6
73.02957	1.9
83.01414	1.0
85.02974	1.4
87.00923	0.9
89.02448	4.2
95.17302	0.4
96.96021	2.3
99.00902	0.5
99.04536	2.0
101.02467	3.7
101.06129	0.8
107.05061	1.5
111.00883	0.5
113.02461	1.8
113.06044	0.6
117.05589	11.3
117.06421	0.7
122.99442	0.4
123.00981	0.4
125.02475	0.8
131.03520	1.3
134.03746	3.1
135.04530	98.2
136.04840	3.3
137.02477	1.2
139.03978	0.5
139.11281	7.4
149.04523	1.8
153.01953	0.5
161.02505	0.5
161.04491	0.4
169.12376	0.4
170.27075	0.4
172.49452	0.4
179.03500	100.0
180.03810	4.4
181.12334	4.3
183.10274	9.7
184.10533	0.6
191.05615	0.4
195.02977	0.7
199.11586	0.4
199.13347	2.0
209.11777	0.8
213.14958	0.7
225.11313	5.4
239.05608	0.7
243.12366	21.5
244.12695	1.1
255.05022	1.6
257.13770	0.6
267.12405	0.5
281.15308	0.5
285.13455	5.7
299.16470	0.4
313.05640	0.6
315.14334	0.4
325.05994	3.5
345.15475	2.4
373.22141	1.3
387.16660	1.1
405.17636	4.0
406.17743	0.5
425.08945	0.7
425.14529	10.2
426.14664	1.3
445.20358	2.1
487.21887	0.5
505.10397	22.9
505.22617	30.5
506.10791	3.2
506.23117	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	505.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35555	0.6
59.01374	4.9
60.60583	0.6
61.02073	0.7
61.98835	8.6
65.18021	0.7
67.01883	1.5
71.01390	5.1
71.59316	0.8
72.99314	1.2
73.02924	0.9
78.95928	1.0
85.02950	3.7
87.00884	2.9
89.02457	2.2
93.03460	12.1
95.01406	2.1
96.96032	1.1
99.00864	1.6
101.02448	3.6
104.63676	0.7
107.01373	2.0
111.00892	2.1
111.04510	2.9
113.02442	2.8
115.00314	0.7
119.03487	1.1
120.99663	1.4
121.02954	0.9
123.00909	6.5
124.01758	0.7
125.02451	18.2
127.04018	0.7
136.99107	0.8
137.02438	2.9
139.00424	3.2
140.01134	1.2
141.01924	0.7
149.02437	0.6
151.00389	2.6
155.03487	0.8
158.92540	1.1
165.01978	1.0
168.00674	6.5
169.01436	24.6
170.01767	0.9
173.04558	11.8
174.04948	0.7
175.03937	1.1
177.01978	0.8
179.05481	0.7
183.02997	0.8
189.01997	0.6
191.04007	0.7
191.05582	4.2
195.58162	0.7
197.68265	0.7
201.01947	0.9
211.02490	25.1
212.02864	1.1
220.62717	0.6
229.01431	1.0
231.03070	0.7
241.03473	1.0
247.02301	0.9
248.03296	0.7
249.04002	2.9
257.00772	0.9
271.04614	33.4
272.04956	1.7
275.01865	3.5
300.99878	7.0
302.00095	0.9
313.05594	2.2
331.06754	2.0
353.10861	12.4
354.11365	1.0
373.07657	2.1
395.76266	0.7
466.77078	0.7
487.11072	3.1
496.03983	1.2
505.12006	100.0
506.12210	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	505.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76022	1.1
69.45727	1.1
69.70844	2.2
69.71239	3.9
73.35641	1.3
74.49467	1.2
98.19965	2.2
99.92602	12.0
116.92867	100.0
117.92880	3.3
235.34814	1.3
347.73651	1.1
348.82309	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	505.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00319	1.1
59.01372	3.4
60.99311	15.7
61.98829	11.4
64.29648	0.9
69.64783	3.7
69.65189	2.7
76.73374	1.0
88.98812	100.0
95.01378	1.8
119.05094	1.3
125.02491	5.2
139.03955	1.5
145.02939	3.4
153.05603	3.6
166.02718	2.0
167.07234	1.5
179.03528	2.1
224.06059	1.1
235.10013	1.2
247.66365	1.0
278.66415	1.2
377.28668	1.1
393.31143	1.1
415.16022	2.0
415.21255	23.0
416.21588	1.9
423.32562	1.6
443.24545	2.5
505.28113	5.9
505.35168	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	505.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23386	1.5
58.68806	1.6
59.01368	6.1
60.99319	12.6
69.03432	2.0
69.45174	13.8
70.68807	1.4
71.01375	6.7
71.05044	2.4
72.99329	3.3
74.99104	6.0
75.00858	2.0
79.44717	1.5
82.65728	1.7
83.01414	2.4
85.02967	4.4
87.00875	3.6
88.98817	94.5
89.02422	2.8
91.97316	1.6
95.01402	1.6
96.96059	3.9
97.19757	1.7
99.00896	2.1
100.39107	1.5
101.02432	4.5
105.28114	2.1
107.01353	2.9
109.02913	2.3
111.00879	2.1
112.98817	2.3
113.02419	3.1
114.59724	1.5
115.00379	1.9
117.05591	7.7
120.99664	3.3
123.00881	12.2
125.02460	19.2
136.99132	8.5
139.00366	3.5
140.01193	3.7
141.01936	2.2
151.00401	9.2
161.02428	2.3
164.66763	1.8
165.05450	2.8
168.00648	4.5
169.01445	22.6
173.00868	2.1
174.01683	6.5
175.02492	3.5
177.04074	1.8
193.05011	6.1
203.03603	1.7
211.02486	3.9
229.01465	1.9
247.02640	2.1
249.03923	3.1
271.04745	4.0
273.00684	7.6
275.01938	6.2
300.99887	12.6
313.05655	1.9
402.72629	2.0
415.12479	100.0
416.12518	8.1
443.11972	5.3
505.14236	3.7
506.12567	2.6
527.46539	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	505.099
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.05593	0.6
53.22665	0.6
55.01879	1.4
55.56577	0.7
57.03439	1.9
58.00594	2.6
58.29952	0.6
59.01384	67.0
61.98843	5.2
65.00334	0.9
66.61606	0.6
69.03453	0.8
69.33207	1.1
69.33608	4.1
69.33922	0.7
71.01388	58.8
72.01714	0.8
72.99313	3.9
73.02950	16.2
83.01386	3.5
85.02954	9.7
87.00885	4.1
89.02450	85.9
93.03465	0.9
95.01408	1.2
96.96030	1.2
97.02934	1.2
98.19891	1.2
99.00890	20.7
99.92596	0.7
101.02444	42.6
107.01408	2.7
108.02187	1.9
109.02970	5.9
111.00877	0.8
113.02460	11.2
115.92065	0.7
117.03532	0.7
117.05601	3.6
119.03506	6.6
119.05019	1.0
120.99690	1.8
121.02959	1.2
123.00900	1.3
123.04572	0.7
125.02461	9.7
131.03517	25.2
133.02934	1.4
135.00864	0.9
135.04550	0.9
135.18304	0.6
143.03490	2.8
145.02975	2.4
148.01686	2.2
149.04561	68.5
150.04909	1.3
151.00368	8.6
153.01945	6.3
160.01636	1.3
161.02486	3.4
161.04568	6.0
163.00349	2.7
163.04007	1.0
164.01108	1.0
168.00656	0.8
169.00163	0.6
169.01357	4.2
175.04015	1.6
178.99858	3.3
179.05615	2.4
191.05621	14.6
192.00716	0.8
192.05984	0.8
193.04964	1.2
199.04071	0.9
211.03993	1.7
215.03592	0.9
216.04140	0.8
221.06668	2.3
226.02759	1.2
227.03532	3.6
243.02972	10.3
244.03090	0.7
245.04578	1.4
251.07693	3.9
254.02226	2.3
255.02982	28.8
256.03366	2.5
271.02478	60.0
272.02829	5.2
283.02444	0.8
293.08777	0.7
299.01950	1.3
300.02759	100.0
301.03436	35.2
302.03882	1.7
311.10001	0.8
343.04297	1.0
373.17902	1.3
373.22284	11.8
443.15439	0.9
463.08829	5.0
469.13226	1.2
505.09830	60.0
505.26642	12.8
506.09985	7.5
506.26810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
58.00593	0.2
59.01383	13.4
61.98835	1.7
69.03460	0.5
69.38518	1.9
69.38913	0.3
70.19096	0.2
71.01386	6.7
71.05022	0.8
72.99316	0.5
73.02943	1.9
80.96527	0.3
83.01404	0.8
85.02945	1.8
87.00881	1.1
89.02452	6.5
91.05528	0.4
93.03455	1.1
95.01382	0.5
96.96016	2.6
97.02981	0.4
99.00890	0.9
99.04503	0.5
101.02446	4.5
101.06102	0.8
107.05031	1.2
108.02165	0.2
109.02995	0.3
111.00941	0.5
113.02457	2.3
117.03458	0.4
117.05584	3.7
119.03533	1.4
119.04996	1.2
120.99686	0.4
123.00906	0.4
123.04539	0.3
124.01678	0.3
125.02457	1.1
131.03505	2.6
133.02928	0.4
134.03758	2.5
135.04532	100.0
136.01691	0.5
136.04863	4.0
137.02463	2.2
139.03996	0.3
139.11276	2.6
143.03531	0.3
145.03033	0.3
145.81815	0.2
149.04570	3.4
150.04887	0.3
153.09334	0.3
161.02444	0.4
161.04562	1.0
163.03979	1.0
165.12915	0.2
169.01474	1.1
179.03502	94.5
180.03825	4.3
181.12373	1.5
183.10265	6.1
184.10657	0.3
191.05714	1.3
197.04584	1.0
199.13440	0.6
209.04662	0.5
209.11874	0.4
224.56285	0.2
225.11339	1.6
233.06714	0.4
235.13300	0.3
239.05765	1.2
243.12366	7.7
244.12772	0.3
271.04462	0.3
281.06732	0.3
281.15350	0.4
285.13354	1.0
293.08881	0.3
299.07614	0.3
299.16464	0.4
325.06033	3.3
343.11917	0.3
343.15604	0.3
345.15445	0.4
359.09903	0.5
373.22260	1.8
405.17618	0.7
425.14502	10.1
426.14902	0.9
445.20871	1.3
487.21573	0.3
504.34195	0.3
505.10196	21.8
505.22702	5.9
506.10455	2.5
506.22687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47301	9.4
56.48747	10.1
59.01396	9.6
61.98833	100.0
81.05243	8.5
82.07446	8.7
86.47520	9.1
98.20625	25.7
119.19262	8.7
139.04021	42.1
153.72340	8.3
229.31300	11.0
229.33545	13.7
261.52939	9.4
272.93924	10.7
314.10559	9.7
441.26349	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36724	0.3
56.33044	0.3
57.03453	0.7
59.01379	2.4
61.98822	1.5
67.96882	0.3
69.03457	0.9
71.01380	2.0
73.02988	0.5
81.03465	0.3
83.01387	0.4
85.02962	0.9
87.00879	0.4
89.02457	0.8
92.05063	4.4
99.04529	0.4
101.02454	1.1
102.03500	1.3
113.02474	0.5
116.05042	0.5
118.03013	1.5
120.04552	3.3
125.02468	0.7
132.04581	0.4
134.32773	0.4
136.04108	0.4
139.11343	1.0
142.06598	0.3
144.04565	1.0
146.02484	6.8
147.03320	2.4
148.04056	5.4
158.02386	0.4
158.06126	0.9
160.04054	0.6
161.04590	0.5
169.01447	0.4
174.01987	2.9
174.05554	0.4
175.02754	51.1
176.03532	100.0
177.03885	3.8
183.10271	2.4
186.05629	1.0
188.03540	1.1
202.05066	0.6
218.04610	0.7
260.13861	0.3
320.07779	4.3
338.08823	5.3
503.33832	1.7
504.18790	62.5
504.33899	3.3
505.19086	8.5
505.26312	0.3
505.34015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09461	1.2
54.75924	1.1
57.03430	1.5
59.01136	1.7
59.01385	18.6
61.98521	2.1
61.98834	35.2
62.53387	1.3
69.29600	13.5
71.01395	10.3
71.05026	1.6
72.99296	3.1
73.02919	1.9
75.00866	2.3
83.01377	1.6
85.02966	2.4
89.02450	5.0
97.02939	1.9
98.74677	1.3
101.02434	4.5
102.92120	1.5
107.01386	2.5
109.02946	6.0
110.41814	1.3
113.02448	2.9
117.05582	9.0
119.03527	1.7
120.99636	4.8
123.00871	2.3
123.04544	2.6
125.02453	57.7
126.02757	2.3
131.03545	2.5
135.04515	2.1
136.98994	1.8
137.02415	5.7
139.04033	1.7
140.01106	1.7
145.02948	3.0
149.02496	3.4
149.04471	2.0
151.00366	2.2
151.04031	4.5
161.02414	4.0
161.06100	1.8
163.03856	1.6
166.99782	1.6
168.00514	1.9
169.01433	100.0
170.01775	2.6
175.04233	1.6
179.03470	2.0
183.10292	1.9
187.04013	1.9
191.05548	2.4
193.01395	4.0
203.07190	2.5
205.05147	1.8
211.02434	1.9
245.08141	4.4
271.02390	4.3
271.06012	4.2
289.07187	32.0
290.07526	1.5
300.02914	6.7
301.03619	1.6
303.05176	2.3
441.02420	2.4
441.08350	36.4
441.17886	9.6
442.08414	4.3
503.21619	3.0
503.33652	4.9
504.20584	6.2
504.34268	2.0
505.09897	7.9
505.19110	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	504.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52628	1.1
55.01863	1.1
57.03448	1.3
58.00581	0.9
59.01381	23.6
61.98835	100.0
69.03457	1.2
69.39892	7.4
71.01388	20.7
71.05017	1.8
72.07827	0.8
72.99306	1.8
73.02960	5.7
76.51768	0.8
76.70777	0.8
78.90620	1.0
81.03456	2.9
83.01393	3.6
83.70940	0.8
85.02948	5.0
87.00863	2.3
88.81712	0.8
89.02448	15.5
92.04553	0.9
92.05079	3.2
93.03429	0.8
95.01390	2.2
96.96017	1.1
97.02940	1.0
99.00901	1.8
101.02458	11.9
102.03465	1.0
107.01398	1.1
109.02971	2.9
110.02488	1.2
111.00896	1.0
113.02438	4.9
117.03463	1.3
117.05586	3.6
119.03500	3.0
120.04557	2.5
121.02955	1.6
123.00922	1.3
123.04527	8.1
125.02465	8.5
131.03485	4.4
133.02946	1.3
135.04529	2.2
137.02437	2.3
145.02979	5.0
146.03383	1.3
148.04071	2.1
149.04555	3.7
149.09651	0.9
151.00319	1.3
153.01892	4.1
153.05585	1.5
161.02455	2.0
161.04541	3.1
163.04021	5.7
167.03506	24.7
169.01389	4.0
175.02768	9.7
176.03537	88.4
177.01918	11.0
177.03830	3.6
178.06358	4.1
183.10251	1.7
191.05588	1.9
193.08704	8.3
195.03127	2.0
222.98747	0.9
233.06674	1.4
235.13347	1.1
255.05170	4.3
260.81274	0.9
264.23267	0.9
279.12384	12.8
293.08917	1.0
303.12466	5.1
304.12653	1.0
313.05457	1.4
321.13354	1.1
337.09457	1.1
373.22208	6.9
441.18277	7.9
442.17892	1.2
503.33734	30.0
504.18863	12.4
504.34094	20.6
505.20306	5.9
505.26611	17.8
505.34296	1.9
513.43488	0.9
518.83099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
58.00601	1.5
59.01372	1.5
70.36343	2.3
84.95129	0.9
85.02960	0.5
85.06596	0.8
87.00890	0.6
88.68362	0.6
96.95996	1.5
97.06584	2.1
153.05637	3.0
153.06717	0.5
153.09163	0.6
198.76483	0.6
253.25636	0.6
303.27103	0.6
387.30603	1.0
389.28458	2.7
391.30209	0.7
406.28745	6.8
407.29257	1.9
421.31140	2.5
423.32687	8.7
424.33463	0.9
441.33273	1.4
459.34470	0.6
467.31433	1.4
469.33224	100.0
470.33499	15.2
485.32312	1.3
503.33826	18.9
504.34113	2.8
513.32239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.9
60.01723	2.3
61.01812	0.8
61.98834	100.0
67.70844	0.6
87.88040	0.7
88.48439	0.7
96.95963	0.6
98.19827	1.5
118.81339	0.6
124.10640	0.6
132.98222	0.6
139.31970	0.6
174.99237	7.6
175.99660	1.3
177.96658	0.8
178.98470	0.8
201.02525	4.7
202.02861	4.2
203.02272	5.4
204.00012	6.0
204.02759	1.4
217.00301	30.1
218.00650	8.9
219.00739	1.4
219.97762	50.6
220.99651	3.1
252.92218	0.9
253.92230	1.2
294.93173	1.6
295.93353	2.3
296.93100	1.1
336.94333	1.6
337.94421	4.3
338.94290	2.2
359.01581	1.6
360.01624	8.7
361.01465	9.7
361.98602	19.9
362.02859	1.1
363.00357	2.9
419.93512	0.9
461.94495	0.9
503.95380	6.2
504.95035	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	503.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46279	0.4
70.70617	1.1
70.71021	0.4
71.05018	1.0
73.02950	0.5
83.05058	0.4
100.63139	0.4
164.13914	0.4
363.27023	0.6
377.28406	0.6
391.30096	0.6
409.31180	0.9
419.29935	0.6
421.31076	1.4
423.29092	0.9
435.28818	0.6
443.31696	1.5
453.30139	6.8
454.30225	0.8
459.34744	1.1
485.32764	12.5
486.33191	1.8
503.33832	100.0
504.34158	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
66.71590	0.2
75.41449	0.2
135.36349	0.2
160.21169	0.2
160.60979	0.2
169.69086	0.2
277.54700	0.2
377.28610	0.7
389.28815	0.2
391.30283	0.2
407.29630	1.5
455.31424	0.4
503.33801	100.0
504.34137	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	503.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29642	0.2
56.60329	0.2
57.03456	0.2
59.01376	0.9
60.64479	0.2
61.98822	0.4
65.72587	0.2
69.72678	1.2
71.01389	0.7
71.05022	0.3
73.02952	0.8
74.31916	0.2
83.05032	0.5
85.02975	0.4
99.04504	0.3
101.01147	0.2
111.14406	0.2
119.06287	0.2
139.03993	1.0
157.48566	0.2
249.80276	0.2
307.38437	0.2
389.28540	0.4
391.29889	0.3
407.29523	0.4
419.29321	0.3
441.33908	0.3
459.35083	0.3
465.24838	0.9
485.32477	0.8
503.33850	100.0
504.34177	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	503.3389
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03520	0.2
59.01147	0.2
59.01475	1.1
59.22938	0.1
61.98904	0.2
65.26254	0.1
66.23676	0.1
69.43166	0.5
69.43694	0.2
69.44105	0.1
69.77925	0.2
69.78236	0.2
69.78566	0.2
71.01495	0.7
71.05134	1.0
73.03066	0.4
83.01508	0.1
83.05145	0.3
83.08133	0.1
85.03091	0.4
89.02593	0.3
90.88430	0.1
96.96088	0.2
97.03044	0.1
98.20614	0.1
101.02589	0.5
101.56279	0.1
109.03108	0.3
113.02605	0.3
117.03663	0.1
117.05704	0.1
119.03596	0.1
123.00998	0.1
125.02585	0.2
131.03697	0.1
133.04892	0.1
135.04520	0.5
135.06767	0.2
149.04744	0.1
152.01285	0.2
153.01949	0.5
154.62509	0.1
161.04697	0.2
161.09917	0.1
169.01518	0.2
179.03502	0.7
179.10822	0.5
181.12477	0.3
183.10506	0.1
195.03008	1.0
225.11427	0.1
255.05107	1.6
263.20679	0.1
263.23831	0.1
297.12061	0.4
327.14505	0.1
355.26398	0.5
356.26779	0.1
361.25522	0.1
363.26974	0.4
367.26361	0.3
375.26965	0.1
377.28491	0.4
379.30075	0.5
387.27960	0.2
389.28943	0.2
391.30283	0.4
393.32083	0.5
401.28311	0.5
403.30069	0.2
407.29684	0.6
409.31207	1.6
410.31393	0.2
411.28989	0.2
417.28067	0.3
419.29578	0.4
421.31247	1.6
422.31741	0.2
423.29041	0.8
424.29315	0.1
425.30783	0.2
427.32263	0.4
435.28989	0.7
437.30795	0.3
439.32025	0.3
441.33990	0.3
443.31793	1.7
444.32144	0.2
449.26016	0.1
451.29010	0.2
453.30142	6.1
454.30435	0.7
457.33304	0.3
459.34940	0.7
467.25320	0.2
471.31232	0.5
473.32718	0.3
485.32782	12.0
486.33136	1.6
503.33817	100.0
504.34155	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.3
56.43165	0.7
57.03450	4.6
58.00602	1.9
59.01388	32.3
61.98833	1.9
66.82694	0.5
69.03458	2.1
69.56133	4.2
71.01391	49.2
72.99314	2.4
73.02954	20.5
73.91875	0.5
75.00877	1.7
78.09014	0.5
81.69840	0.5
83.01389	8.9
85.02961	20.9
87.00896	4.5
89.02456	23.1
95.01402	2.6
97.02954	3.4
99.00898	11.1
99.04538	0.7
101.02457	43.5
102.02757	0.6
103.04013	0.6
107.05061	0.6
111.00922	1.2
113.02460	18.0
115.04050	2.5
119.03517	4.0
125.02444	4.6
131.03513	3.7
135.11760	0.7
135.86044	0.5
143.03522	3.7
149.04564	5.2
159.02995	3.1
161.04567	17.0
179.05701	0.9
179.10817	2.1
191.05611	2.4
209.15509	6.9
221.11694	0.6
233.06656	4.5
293.08859	2.0
297.11945	0.7
341.02835	0.7
348.53448	0.6
351.11148	0.9
371.20761	51.4
372.21011	4.5
385.38040	0.7
412.05566	0.6
446.29449	0.6
459.19080	0.9
503.25089	100.0
504.25494	14.2
504.31351	0.4
507.05148	0.6
511.91940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2514
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
54.87461	0.7
55.01888	2.3
57.03465	3.7
58.00599	2.2
59.01384	40.6
61.98838	4.8
69.03472	1.6
71.01388	38.0
71.05042	0.6
72.01744	0.9
72.99323	2.5
73.02953	23.1
73.09884	0.6
74.03333	0.8
74.10963	0.7
75.00884	1.5
80.18893	0.6
81.03492	1.3
83.01382	3.9
83.05038	1.0
85.02956	20.8
85.03440	1.1
87.00891	3.2
87.04523	5.6
89.02454	28.5
90.02814	0.9
93.03483	1.1
93.14420	0.6
95.01409	1.8
96.20851	0.7
96.96029	1.7
97.02960	3.3
97.06680	0.9
98.03756	1.0
99.00882	3.0
99.04547	1.3
101.02454	23.8
103.04018	19.2
104.47292	0.6
107.01420	0.6
108.03231	0.5
111.00925	2.7
113.02463	10.3
113.06102	0.9
113.06835	0.7
117.05582	0.7
119.03525	4.3
123.00934	2.1
125.02452	7.9
126.02831	1.1
130.59061	0.7
131.03513	12.2
133.05113	1.0
135.04585	1.9
137.02437	0.6
139.03987	0.8
140.01135	1.1
143.03532	2.5
145.02985	3.2
149.02557	0.8
149.04559	9.1
151.00417	2.1
155.10959	0.7
159.03049	1.0
161.02509	0.9
161.04578	6.9
163.04063	1.0
165.12944	0.7
169.01434	3.1
170.41220	0.6
172.13863	0.6
176.03603	1.1
177.12926	0.9
179.03519	0.9
179.05725	1.1
181.12415	2.2
191.05612	3.1
195.14009	1.6
207.14018	0.9
209.11917	1.2
225.11415	1.2
233.06734	2.4
233.15448	0.7
237.15062	0.9
255.16037	8.2
265.09515	0.7
269.17545	5.5
293.08936	1.7
297.16986	3.3
371.20728	14.8
371.25507	0.7
372.21313	1.1
441.17905	2.0
467.18997	1.6
503.25348	100.0
504.25589	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	503.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03452	3.8
58.00599	2.7
59.01389	66.9
61.29919	2.0
61.98843	4.6
69.53041	7.7
69.53458	3.8
71.01390	53.8
72.99302	2.3
73.02970	8.8
73.03304	1.5
75.61195	1.7
79.86557	1.7
81.03461	2.5
83.01392	5.8
85.02969	19.9
87.00880	2.0
89.02458	50.3
95.01382	2.1
99.00892	1.8
99.04520	2.6
101.02461	37.6
106.30580	1.7
111.04536	2.1
113.02484	22.3
117.05561	4.5
119.03526	20.4
119.05080	1.9
125.02459	3.8
131.03532	4.4
133.10278	5.8
135.06657	34.4
135.11812	23.9
143.03519	4.9
145.02980	2.8
149.04561	3.1
159.08150	6.6
161.02496	2.8
161.04602	10.6
161.05956	2.2
161.09747	20.8
162.03185	2.0
175.02815	2.4
176.03476	4.1
177.05547	2.6
177.52103	1.7
179.05630	11.2
179.10796	99.4
180.11156	4.3
193.12395	3.2
203.10805	4.3
221.11887	6.0
247.83691	1.6
265.07199	2.3
279.10840	13.4
281.14191	2.1
297.11938	100.0
298.12292	4.8
318.84036	1.6
338.08807	4.7
408.15616	1.7
459.22513	6.8
503.21411	85.8
503.33173	2.7
504.21835	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03441	3.3
58.00595	1.2
59.01386	42.8
61.26178	1.0
61.98833	1.8
69.03431	1.4
69.73689	6.8
69.74042	2.1
71.00995	1.9
71.01389	39.4
72.39218	1.3
72.99308	3.4
73.02952	13.8
81.27658	1.1
83.01395	4.2
83.92171	1.2
85.02603	1.2
85.02975	13.4
87.00887	5.8
87.04515	3.7
89.02456	26.8
95.01389	2.0
96.96024	2.1
97.02967	1.3
97.06583	1.4
99.00893	3.5
99.04517	1.6
101.02458	25.8
101.06113	1.3
103.04015	2.8
108.02192	2.5
113.02473	16.0
117.05578	4.3
119.03518	9.1
125.02449	4.4
131.03513	3.4
133.10205	2.0
135.04585	7.5
135.05647	2.1
135.06650	21.7
135.11813	25.0
143.03476	2.9
149.04556	2.5
152.01149	2.9
159.04620	1.2
161.04596	9.8
161.09746	7.7
162.10059	1.2
169.01422	4.3
177.12862	2.5
179.03557	7.0
179.05580	3.8
179.10788	100.0
180.11107	4.6
193.12340	4.7
193.56007	1.2
221.11816	7.3
223.09735	2.6
279.10840	9.9
280.11151	1.3
281.13980	2.3
297.08481	3.0
297.11920	49.4
298.12305	2.1
371.20865	7.7
378.16336	1.3
434.00946	1.4
459.22427	3.8
503.21271	29.5
504.21942	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83739	1.0
69.78773	5.8
75.41142	0.9
99.92595	12.0
116.92873	100.0
117.92892	4.6
208.35689	1.0
212.31528	1.1
367.01236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60027	1.3
51.16147	1.1
55.01879	3.5
55.77611	1.0
57.03450	3.6
58.00592	2.2
59.01384	49.8
61.98835	3.4
63.30021	1.1
65.84818	1.1
69.03472	1.5
69.78535	3.3
69.78940	2.8
71.00991	2.3
71.01389	47.9
72.99313	3.6
73.02960	13.6
74.40936	0.9
75.00890	1.8
81.03460	3.2
83.01395	5.2
85.02951	21.4
87.00877	4.3
87.04515	2.3
89.02450	32.2
95.01392	4.0
96.96022	2.2
97.02962	3.8
98.19904	1.0
99.00883	5.9
99.04513	1.5
101.02457	36.3
103.04022	2.5
108.02190	2.7
113.02451	16.7
115.04018	1.7
117.05612	3.8
119.03504	11.1
125.02433	7.8
131.03502	3.5
133.10260	3.6
135.04536	6.7
135.06654	24.8
135.11816	22.0
136.12125	2.1
143.03487	4.5
149.04546	3.5
152.01163	4.1
154.01630	1.0
159.03015	1.9
159.08157	1.9
159.11853	1.4
161.02492	2.1
161.04576	9.2
161.09720	9.5
169.01448	4.3
177.12914	2.7
179.03546	3.3
179.05676	5.6
179.10786	100.0
180.11115	6.1
193.12407	2.5
209.15471	2.2
219.70386	1.1
221.11816	6.6
222.54379	1.3
223.09782	2.9
249.98624	1.2
251.13034	1.7
279.10883	12.7
297.11920	60.9
298.12329	3.1
371.20734	14.4
383.12030	1.1
459.22424	2.3
467.16019	1.1
503.21402	34.0
504.21744	5.0
527.46356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23048	1.5
51.86470	1.5
54.97633	1.6
57.03419	6.3
59.01385	59.2
61.98833	9.7
69.03439	4.0
69.49294	12.1
69.49618	2.5
71.01389	39.2
71.05009	1.6
72.99276	3.6
73.02954	13.3
75.00848	3.8
79.95705	3.3
81.03429	2.0
83.01353	5.8
85.02965	11.9
87.00871	9.4
89.02455	30.2
93.03411	2.2
95.01336	5.1
96.95969	7.2
97.02942	3.8
97.06538	2.1
98.95544	1.8
99.00846	5.6
99.04468	5.0
99.92599	1.8
101.02442	26.9
103.03967	2.1
107.01320	4.9
109.06541	2.8
109.73678	1.5
111.00866	2.3
113.02455	17.0
117.05527	1.7
119.03510	12.6
119.04996	1.8
120.99654	2.1
121.02886	4.7
123.00898	8.5
123.04458	7.1
125.02463	32.8
126.02795	2.0
127.07668	27.9
131.03444	3.6
132.09958	1.5
134.03699	7.9
135.04488	2.1
136.06534	1.4
137.02388	1.9
139.00320	5.3
140.01149	1.5
143.03397	4.3
143.07159	8.4
145.02885	3.2
145.08670	1.8
147.04520	2.1
149.02426	3.8
149.04504	3.5
149.06021	2.2
150.03140	4.6
151.00293	5.1
153.05493	6.7
161.02380	3.4
161.04427	5.7
161.05768	2.1
163.03891	4.6
164.04825	23.5
165.01938	2.0
165.05432	5.4
167.03362	1.7
168.00493	3.5
169.01442	25.4
170.01727	3.4
171.06535	7.3
173.05893	1.6
175.03914	4.5
176.04660	4.9
177.01944	1.7
179.03416	2.5
179.05495	10.0
179.07053	16.5
182.04431	2.3
185.08109	3.0
189.07692	37.7
191.03461	2.7
191.05382	1.6
191.07016	6.7
193.05060	9.8
194.05444	1.9
195.06503	6.0
201.01663	1.8
203.03452	2.3
207.06514	2.3
209.08118	1.7
211.02449	9.2
213.07542	1.7
221.06567	8.1
225.07545	2.4
231.08607	5.0
235.06094	14.2
251.08980	2.7
257.00854	2.2
263.07413	2.6
265.07007	3.3
271.04556	13.1
272.04865	2.1
275.01813	4.5
281.09186	2.3
295.08044	3.2
300.99637	3.8
313.05405	5.9
314.00656	1.8
314.05637	2.0
323.09601	6.3
324.99673	2.7
327.01071	2.0
327.09134	3.1
329.73117	2.0
331.06412	1.8
335.02002	2.3
341.02789	6.1
342.03613	2.0
351.01273	1.8
351.12973	35.8
352.13016	2.8
369.02322	2.9
371.09479	1.5
379.00708	4.1
397.01886	10.7
422.99567	3.5
441.10016	6.7
466.31796	1.7
467.12329	11.4
485.14532	2.4
503.13559	100.0
504.14050	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	502.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33745	0.7
57.03435	1.0
58.00599	0.8
58.02978	4.5
59.01103	1.0
59.01385	17.7
60.03201	0.7
61.98826	2.7
62.30992	0.7
64.10384	0.7
68.40962	0.6
68.50680	0.6
69.44459	1.7
69.44864	4.4
71.01391	13.3
72.70368	0.7
73.02944	2.0
80.74852	0.8
81.09605	0.6
83.01391	1.5
84.19118	0.6
85.02966	3.4
87.00858	1.8
89.02447	9.3
95.01391	1.7
96.96004	3.0
97.02944	0.6
100.07674	2.4
101.02454	9.9
107.01403	3.7
111.00869	1.7
113.02460	5.7
114.09266	8.5
119.03520	4.3
123.00033	0.7
123.00887	2.8
125.01628	1.3
125.02464	17.9
126.09274	6.3
128.07181	2.0
128.10825	1.1
133.32622	0.7
139.00385	2.1
139.65991	0.6
142.08742	17.1
146.08243	1.7
150.07704	0.7
151.00360	2.1
156.10310	1.5
161.02455	2.2
161.04584	0.8
168.00597	2.3
168.23512	0.7
169.01430	17.4
170.08199	3.9
172.09790	2.8
179.03494	1.1
184.09834	4.1
187.04106	0.7
188.09291	51.4
189.09605	1.9
211.02457	9.6
219.02945	0.9
229.01570	0.9
230.10258	2.3
271.04605	7.5
275.01978	1.0
295.02505	0.9
296.64401	0.8
299.99210	1.3
300.99921	1.9
313.05826	1.9
314.00549	1.0
324.99902	1.3
331.06732	1.4
339.01443	0.9
341.03043	2.9
350.14572	75.6
351.01581	0.9
351.15002	5.4
367.01178	1.3
369.02679	1.0
379.00998	2.3
397.02072	7.0
423.00085	3.0
439.08765	6.1
441.00815	1.0
444.49377	0.7
484.14740	1.8
502.15701	100.0
503.00726	1.2
503.15762	12.9
518.40802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01378	12.4
61.98838	13.7
65.63303	1.0
69.03458	1.9
71.01393	9.3
71.60664	1.9
72.99312	1.5
73.02949	1.6
83.01396	1.6
85.02958	4.0
87.00901	1.8
87.20759	1.3
89.02451	4.9
95.01394	2.9
96.96011	15.3
97.02937	1.5
99.00870	1.5
101.02472	4.7
107.01395	8.2
109.02979	1.6
111.00876	2.7
113.02458	4.6
119.03510	2.5
123.00896	8.2
125.02453	56.5
126.02817	2.5
127.07679	4.3
137.02394	1.4
139.00369	2.5
140.01196	2.5
143.07076	1.5
145.03006	1.5
151.00377	5.2
163.04004	1.4
164.04787	2.3
165.05638	1.7
168.00632	4.2
169.01436	85.5
170.01788	6.0
171.06653	1.2
173.08270	1.2
175.04013	1.9
179.05643	1.8
179.07106	2.6
189.07687	5.3
198.24112	1.4
205.05051	1.5
211.02460	3.8
241.03516	4.4
249.03918	1.4
271.04602	4.7
275.02072	1.9
297.00552	1.3
300.99850	5.3
313.05692	17.9
324.99915	1.4
341.02942	1.8
351.13031	5.0
379.00699	2.0
397.02069	4.1
424.62549	1.4
439.08817	100.0
440.09064	10.4
501.19809	4.8
502.12909	1.6
502.20889	8.4
503.13815	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3589
Annotation	Lamesticumin A
Peak:m/z	Relative Intensity
51.91777	0.4
52.68298	0.4
55.65076	0.3
58.00596	1.1
58.03015	0.3
59.01374	0.8
61.98814	0.5
69.66431	2.0
71.01411	0.4
73.02940	0.5
83.46549	0.4
85.02962	3.3
87.00886	1.1
97.06601	1.8
97.69833	0.3
102.43004	0.4
120.26943	0.4
125.02435	0.9
146.68660	0.4
153.05530	1.4
153.09177	0.5
197.59294	0.4
277.21744	1.3
317.21313	1.1
357.20792	0.9
374.26569	0.5
381.27917	0.5
387.30963	0.8
389.28751	2.4
390.29022	0.6
405.31552	0.8
406.28821	4.6
407.29385	1.6
417.22693	3.8
421.31345	2.9
422.31491	0.4
423.32648	10.5
424.33157	1.1
437.30701	0.4
439.27838	0.5
439.33011	0.6
455.31592	0.6
467.31894	0.7
469.33234	100.0
470.33572	12.5
501.24524	0.9
501.31912	3.1
501.35913	4.0
502.35941	1.2
513.31848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28463	2.2
53.75303	1.7
57.03445	16.1
59.01378	9.2
59.07872	2.0
60.63905	1.6
63.31100	1.9
70.76071	4.6
71.05018	3.0
75.00865	2.4
83.05019	3.6
87.00867	3.1
92.39068	1.8
93.13615	2.0
97.02900	2.2
101.06124	2.3
105.15014	1.9
109.06602	2.2
117.47889	2.2
125.02469	2.7
135.03014	6.5
145.48402	2.1
153.05655	2.6
188.28632	2.2
191.14366	4.0
196.27179	1.9
220.40808	2.4
307.24332	4.6
355.64832	2.3
365.13956	5.9
375.27075	2.1
385.49979	2.1
389.28574	6.5
391.30032	7.0
393.31488	8.1
416.21692	2.4
421.31323	5.9
423.28983	5.3
425.30493	3.2
435.29019	28.1
436.29288	4.5
437.30630	83.8
438.30841	12.6
439.32538	10.6
451.32074	6.0
455.31839	2.9
457.33295	18.4
467.31693	78.0
468.32025	11.5
469.33926	100.0
470.34427	12.1
483.31168	13.8
501.32407	77.7
502.31992	13.8
513.32227	98.5
514.32568	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	501.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01341	1.9
59.08185	0.4
61.98791	1.5
64.75537	0.4
65.94167	0.4
69.86465	0.4
69.95541	1.7
71.01343	2.0
73.02953	4.4
74.19480	0.4
85.02917	1.1
89.02422	0.8
98.19902	0.4
101.02395	0.7
115.60358	0.5
125.02366	0.7
139.03938	0.6
161.04466	0.5
169.01408	0.4
190.70067	0.4
215.14487	0.6
321.20648	0.5
324.89011	0.4
339.25412	1.0
377.24661	0.6
379.30139	0.4
389.28693	0.6
391.26682	0.6
394.16257	0.5
404.54446	0.4
405.28018	0.5
407.29938	3.2
408.29938	0.7
423.29025	2.4
425.26855	1.6
437.30661	0.9
439.27975	1.1
455.31671	61.9
456.31982	7.7
457.33246	2.3
501.32236	100.0
502.25082	0.8
502.32553	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	501.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01393	2.9
60.99297	1.0
61.98845	1.5
66.93698	0.5
70.01919	2.4
71.01388	2.1
72.16645	0.5
73.02956	1.1
83.05039	1.1
85.02935	0.5
85.67239	0.4
87.00884	0.5
87.51391	0.5
89.02489	0.6
96.96014	0.6
98.20531	0.6
99.04556	0.6
101.02460	0.9
113.02476	0.5
123.08138	0.9
126.01868	0.5
149.06087	0.6
151.11357	0.6
161.04570	0.6
228.43022	0.5
304.73248	0.5
339.25421	0.7
377.28650	0.9
389.28473	0.9
391.30249	1.5
399.26883	0.8
407.29510	7.1
408.30002	1.0
409.31281	1.4
419.29724	1.6
425.30664	3.6
427.32071	0.8
437.30597	4.6
438.31210	0.5
439.32355	8.9
440.32623	1.1
455.31668	0.9
457.33377	7.4
458.33743	0.7
465.24850	0.6
471.31232	4.7
483.31232	1.3
501.32318	100.0
502.32629	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3591
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
51.32376	0.4
53.68306	0.4
57.34840	0.4
59.01378	0.9
61.98829	0.9
69.43185	0.4
70.16801	1.9
71.05019	0.5
80.07304	0.5
96.54446	0.4
96.95989	0.8
118.42496	0.4
125.02477	0.9
135.03018	0.5
143.34825	0.4
153.05630	1.0
202.90074	0.4
258.01996	0.5
281.73401	0.5
289.13504	0.5
296.69910	0.4
409.31552	0.6
421.31375	0.6
421.85464	0.5
439.32355	2.4
439.43915	0.5
457.33652	2.5
467.31732	0.7
469.33655	1.4
471.31409	1.0
483.31473	1.4
501.36261	100.0
502.36652	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	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
52.79562	0.3
57.03438	0.5
59.01381	1.2
61.98819	0.8
63.29571	0.3
63.98509	0.3
66.57533	0.3
71.01369	0.8
71.05016	0.8
71.59986	0.5
73.02953	0.8
75.93486	0.4
82.81469	0.3
83.04980	0.3
85.02954	0.8
89.02443	0.5
97.02979	0.5
101.02419	0.6
101.88396	0.3
108.20603	0.3
113.47057	0.3
125.02430	0.3
138.11385	0.3
139.04007	3.8
260.24103	0.3
261.18768	0.3
349.56461	0.4
357.26242	0.4
375.27109	0.3
377.28391	0.4
393.28268	0.5
405.27905	0.4
407.29630	0.7
409.31183	0.7
423.29074	0.4
453.29849	0.4
455.31543	0.8
457.33606	0.7
465.24881	5.2
466.25616	0.9
471.31137	0.9
501.32257	100.0
502.32581	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	501.3225
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
53.99788	0.4
59.01379	0.5
61.98846	0.9
69.95674	2.2
78.95890	0.6
91.57732	0.6
96.96014	1.0
98.20520	0.8
121.02925	0.7
125.09743	0.6
139.04050	0.5
153.05669	0.8
188.41899	0.4
229.53378	0.4
248.12531	0.5
293.14035	0.5
316.92194	0.5
348.27893	0.5
363.26666	0.5
402.95007	0.6
407.29611	1.0
439.32114	1.2
453.30154	28.9
454.30414	4.4
455.31653	0.7
457.33405	0.7
471.31180	17.6
472.31439	2.5
483.31277	6.6
501.32281	100.0
502.32623	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	501.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
56.91511	0.3
61.98832	1.8
69.32208	1.9
69.32635	1.0
71.01383	0.4
71.05026	0.4
73.02956	0.7
73.41531	0.3
74.28847	0.3
79.95753	0.4
83.05034	5.6
85.02982	0.3
86.51721	0.4
93.49253	0.3
116.01920	0.3
139.04024	0.5
149.06105	0.4
186.55981	0.3
200.59500	0.3
311.23825	0.7
323.23712	0.4
341.24908	2.6
353.25034	2.1
361.25565	0.7
375.27161	0.7
377.28500	0.8
385.25363	0.5
389.28510	0.6
391.30161	0.7
401.28394	0.4
405.27997	0.3
407.29605	1.7
415.26364	0.3
417.28098	0.7
419.29364	2.1
421.26813	1.0
429.30179	1.3
433.27350	0.6
438.22205	1.2
441.30185	0.4
451.28561	9.5
452.28906	0.9
457.33340	1.4
471.31024	1.2
483.31174	19.9
484.31403	2.6
501.32242	100.0
502.32584	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	501.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20652	0.6
55.01864	0.7
57.03429	1.2
59.01386	12.9
61.18078	0.6
61.98804	1.3
65.00269	0.7
65.48311	0.5
67.01888	0.6
69.03428	0.9
69.39310	4.7
71.01386	12.3
72.99287	2.5
73.02969	4.4
75.00885	0.7
79.01878	1.2
82.00615	0.7
83.01361	1.9
85.02953	4.6
87.00856	1.5
87.04519	0.6
89.02451	5.7
95.01416	2.5
97.02938	1.1
99.00838	1.5
101.02454	8.5
107.01404	5.7
107.04997	0.5
111.00916	2.7
113.02430	4.2
114.66016	0.5
117.03486	2.7
119.03450	1.8
119.04989	1.2
123.00892	16.2
123.08190	0.6
124.01677	1.1
125.02457	21.1
126.02702	0.7
127.00320	1.0
131.03458	1.0
133.05014	1.3
134.03705	1.1
135.11751	0.9
136.98735	1.6
138.99471	0.5
139.00377	6.9
140.01176	4.1
141.01839	2.3
141.09222	1.3
143.03529	0.6
145.02966	12.2
151.00389	12.3
153.01926	0.8
156.36256	0.5
159.11740	0.9
160.01630	0.9
161.04498	1.8
161.09647	2.0
163.03899	1.7
163.11246	0.8
166.99564	0.6
168.00652	5.2
169.01434	29.0
175.03998	1.1
177.12881	0.8
179.10802	4.6
181.12303	0.7
187.03899	0.5
187.11243	0.9
189.09079	0.6
193.05052	2.7
193.12271	1.1
211.02501	4.6
214.66272	0.6
215.95341	0.6
221.11819	2.6
223.09807	0.8
265.10654	0.7
271.04593	3.1
293.08798	0.6
297.05963	0.9
300.73193	0.6
313.05688	2.6
324.99551	0.7
337.09238	1.1
342.20789	0.6
369.19067	2.7
372.85480	0.6
401.10504	0.8
457.21008	4.8
483.32852	2.2
501.19373	100.0
502.19647	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
61.98825	1.9
66.57023	0.4
67.01874	1.0
69.03460	0.9
71.01389	4.6
71.60470	0.6
71.83801	0.4
72.99323	0.9
73.02947	0.5
79.01883	1.2
83.01399	1.4
85.02953	1.6
86.54247	0.4
87.00909	0.5
89.02450	2.3
92.05567	0.4
92.84465	0.4
95.01405	1.6
96.96011	0.8
97.02961	1.1
98.38032	0.4
99.00874	1.4
100.58620	0.5
101.02424	3.0
106.46078	0.5
107.01388	3.9
109.02921	0.6
111.00905	1.6
113.02447	1.9
117.05474	0.5
119.03488	0.8
123.00896	15.8
124.01756	0.5
125.02449	17.4
126.02872	0.5
127.00345	0.8
136.98790	1.6
139.00372	4.4
140.01176	3.1
141.01990	2.1
151.00381	10.6
153.01927	1.1
159.74500	0.4
165.01848	0.5
168.00693	3.3
169.01436	26.2
170.01834	0.8
207.22426	0.4
211.02472	4.4
243.02084	0.4
257.01065	0.6
271.04727	4.2
300.99890	0.9
309.04178	0.6
312.99951	0.5
313.05688	2.0
314.00809	0.6
314.05759	0.5
315.01309	0.7
316.02277	2.1
323.01730	0.5
324.99957	1.9
325.03470	0.5
335.02014	0.7
337.03500	0.5
339.01263	0.8
352.99301	1.1
353.03152	1.7
367.01135	0.7
369.02713	0.5
381.02454	3.0
413.00552	0.7
413.05667	2.2
450.37247	0.6
463.08878	1.8
501.04013	6.9
501.19809	100.0
502.03741	0.8
502.20105	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	501.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44501	1.0
54.42986	1.0
59.01387	4.4
61.98828	5.4
63.34850	1.2
66.58105	1.0
69.41012	9.9
71.01402	2.7
73.02966	1.8
73.78555	1.3
74.60918	1.2
75.33820	1.1
89.02473	1.4
93.03476	3.6
93.25312	1.0
99.00894	1.4
107.01431	2.0
111.04501	2.0
123.00892	4.1
125.02470	8.2
128.19731	1.1
137.02435	1.9
139.00378	1.8
151.00375	4.2
153.01875	1.3
155.03500	3.5
156.42825	1.2
168.00609	1.2
169.01457	9.9
178.10979	1.3
193.01442	1.0
197.06097	1.5
211.02429	2.5
213.02071	1.6
224.04919	1.4
225.05632	3.4
235.04106	1.3
237.05655	1.3
239.03575	1.2
241.01544	1.8
241.05043	2.6
245.67142	1.4
251.03418	1.4
253.05124	4.6
254.02164	2.2
263.03522	1.3
266.02054	2.1
267.02740	1.3
268.13025	1.3
269.04587	2.4
273.90527	1.2
278.02048	1.2
281.04572	6.8
283.02438	1.3
296.03006	1.4
297.00537	2.8
297.04105	5.8
299.99139	3.1
307.02512	2.2
309.00720	1.7
309.03687	5.6
311.02130	2.1
312.99905	4.3
313.05878	1.5
314.00687	4.7
315.01468	12.5
322.01309	5.8
323.01971	8.6
324.99979	27.9
325.03632	5.9
326.00452	3.3
327.01257	2.2
335.02066	9.2
336.02689	1.7
337.03522	5.0
339.01471	8.9
340.02264	4.8
341.03110	4.5
352.99377	17.8
353.03156	13.0
353.99792	1.8
363.01526	3.2
364.01865	1.4
366.00299	2.8
367.01038	4.0
369.02719	3.4
381.02551	54.0
382.02823	4.2
383.00565	5.0
385.02115	2.1
411.00116	4.4
413.01208	14.1
413.06064	23.3
414.06036	2.4
425.01370	1.3
457.04138	3.9
469.00385	4.0
500.18747	1.7
501.03174	100.0
501.19781	40.0
502.03525	11.9
502.20041	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	501.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.4
60.21183	1.9
60.54463	1.9
61.62057	2.3
63.05462	2.1
65.16553	2.0
70.08704	7.5
99.88901	2.1
99.92601	11.9
116.92875	100.0
117.92869	5.1
120.79920	2.3
220.35150	2.1
282.04630	2.7
315.37210	2.2
333.21310	2.4
418.41187	2.6
466.14465	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	501.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62800	1.1
51.00880	1.1
55.50267	1.1
60.65853	1.2
64.83508	1.1
70.08692	2.0
70.09084	2.4
70.90604	1.1
86.38741	1.0
94.21216	1.1
98.20575	1.5
99.92603	12.4
102.35661	1.1
116.92876	100.0
117.92882	5.7
167.54462	1.0
199.29201	1.1
298.47665	1.3
299.50034	1.2
451.13501	1.1
466.14456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62679	0.7
57.03449	1.2
59.01387	9.3
61.98822	2.2
69.43228	4.1
69.43659	2.7
71.01398	6.2
72.99315	1.5
73.02929	1.8
78.00917	0.8
79.44191	0.7
83.01389	0.9
85.02919	3.3
87.00879	0.8
87.76278	0.8
89.02444	5.0
91.43507	0.8
95.01369	1.4
96.95991	1.5
99.00853	1.2
101.02427	3.4
101.06093	19.3
107.01398	0.9
108.02184	52.7
109.03003	9.2
113.02402	2.2
117.05537	2.3
117.29419	0.8
123.00874	2.7
123.04529	1.2
125.02483	4.8
127.07688	0.9
131.03502	1.3
135.04565	1.3
137.06085	0.9
139.00455	0.8
149.04504	1.7
149.09700	1.1
151.00333	2.2
151.03998	1.5
152.01164	100.0
153.01776	5.1
155.07112	1.6
161.09763	0.8
163.03954	2.2
169.01443	4.3
179.03549	0.9
179.10718	2.1
183.10229	3.0
211.02382	1.5
225.11264	3.3
228.08946	0.8
241.07224	1.0
259.72488	0.8
271.04572	1.4
295.23126	0.9
312.47327	0.9
313.05545	1.4
339.01596	1.2
352.88605	1.0
381.02774	1.0
399.09329	12.7
400.09625	1.1
417.04852	0.9
417.10205	3.4
432.01743	0.8
501.16022	87.1
502.09741	1.5
502.16205	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	500.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49575	0.6
55.01870	0.6
55.48605	0.6
57.03468	0.9
59.01386	1.6
61.98835	100.0
71.05023	1.4
71.61665	1.1
74.68745	0.6
85.02957	1.6
95.05050	3.5
96.44743	0.8
97.02981	1.6
121.36387	1.0
139.04019	11.3
139.04993	1.0
141.05624	0.9
141.12926	1.2
153.05594	1.0
214.37746	0.7
234.03435	0.7
373.20233	1.8
395.18613	0.9
415.25452	10.0
416.25360	1.3
437.29102	53.8
438.29340	6.9
500.21869	1.4
500.34836	1.2
501.33035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	75.4
60.01712	0.6
61.69033	0.5
61.98838	1.1
69.44767	0.7
69.45175	3.2
71.36983	0.5
72.38263	0.4
72.99319	0.7
90.97140	1.0
118.96614	0.6
128.95459	0.5
132.98186	1.2
157.03557	2.4
159.01489	1.4
174.99260	21.4
184.13576	0.4
201.02574	30.9
202.02798	2.0
215.00372	0.6
217.00313	100.0
218.00621	3.3
278.89255	0.5
343.03720	2.5
347.41171	0.5
359.01501	58.6
360.01639	6.4
444.45724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04971	0.7
59.01378	3.7
61.98835	100.0
69.03445	1.2
71.01381	2.0
71.05009	2.6
71.60880	1.3
73.02952	2.0
79.95741	4.3
83.04999	2.4
85.02956	2.3
87.00887	0.9
95.05016	3.0
96.96004	2.9
97.02937	2.1
99.00906	1.1
99.04536	0.8
101.02410	2.1
113.02454	1.0
118.42151	0.8
123.00900	1.0
124.01649	1.2
125.02443	2.4
136.05273	0.9
139.04015	34.0
140.04353	1.8
140.84912	0.8
149.06065	3.8
164.29576	0.8
166.02724	1.2
176.03513	1.6
178.72072	0.7
199.19829	0.9
205.12291	1.0
229.01785	2.2
233.15443	0.9
242.65077	0.8
277.62891	0.9
324.05975	0.8
353.24991	1.0
421.26062	2.4
437.21829	53.5
438.22165	6.3
451.28424	1.2
456.34775	1.1
483.31219	4.2
500.21719	1.9
501.21591	10.8
501.32135	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	499.307
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
52.81980	0.4
59.01374	0.5
59.66758	0.4
61.98833	5.2
69.03452	0.5
71.01386	0.7
71.60732	0.7
73.02956	0.7
74.70904	0.4
77.07913	0.4
93.03442	0.5
96.29842	0.4
125.02436	1.4
126.02787	0.6
138.78761	0.4
153.70030	0.4
292.25851	0.5
356.13177	0.4
405.28201	0.6
436.24277	4.8
437.24960	0.9
437.30743	0.7
451.28558	25.7
452.28784	4.0
469.29556	16.0
469.36020	0.8
470.30096	2.1
481.29602	4.7
499.30692	100.0
500.31070	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	499.3429
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
59.01371	0.5
61.98832	0.7
63.80502	0.3
65.59023	0.2
67.94152	0.3
73.25359	0.2
82.95425	0.3
87.00853	0.4
90.13712	0.3
125.02489	0.3
148.76840	0.3
153.05513	0.6
168.15294	0.3
195.30028	0.2
202.24086	0.3
205.87231	0.3
351.89716	0.3
411.25525	0.4
415.24942	3.2
421.31149	0.5
440.79480	0.3
453.33871	0.5
499.34293	100.0
500.34705	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
58.00586	0.9
59.01382	24.8
61.98831	1.0
67.01901	0.5
71.01386	12.9
71.60873	0.7
72.99304	1.8
73.02989	0.9
79.01891	1.2
83.01391	1.1
85.02963	3.1
87.00887	0.9
89.02448	12.3
95.01434	2.7
101.02447	11.4
103.03373	0.6
107.01389	3.1
111.00880	2.0
112.97053	0.7
113.02438	6.0
119.03498	7.2
119.87817	0.6
121.02979	5.0
123.00889	12.4
124.01720	0.6
125.02450	16.3
136.05307	1.4
136.98810	1.2
139.00359	2.6
140.01135	2.0
141.01944	1.6
147.04536	0.6
151.00394	6.3
151.58864	0.6
161.04440	0.6
165.09172	1.0
167.10786	12.8
168.00644	3.6
168.11121	1.3
169.01437	18.2
170.01726	1.0
179.05544	0.8
179.10852	0.7
183.10292	0.6
185.11832	1.8
211.02480	8.6
271.04565	6.9
294.66711	0.8
313.05527	1.0
337.20297	1.7
340.75922	0.6
347.17166	13.2
348.17688	1.2
357.98322	0.6
481.17319	1.8
499.18213	100.0
500.18542	13.2
500.25580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.1
59.01365	4.0
61.98833	6.8
62.42913	1.3
65.56243	1.1
68.99813	1.7
71.60713	1.6
81.03456	5.3
83.01379	1.3
83.05050	1.4
85.06578	1.3
87.00921	1.8
104.55772	1.2
109.06615	1.3
116.92875	7.3
123.04511	1.4
124.01678	1.8
125.01617	0.9
125.02462	24.1
139.03990	2.4
151.00420	2.4
152.01161	2.7
153.05582	6.1
160.47076	1.5
165.01738	1.7
166.02657	3.1
179.03481	3.7
180.04306	1.4
300.39783	1.2
301.00049	1.8
304.75250	1.3
323.50058	1.3
327.23288	2.3
367.26218	1.4
399.21732	2.1
399.64410	1.2
411.25430	2.9
415.20932	1.8
436.26974	4.2
437.31049	1.6
455.24426	100.0
456.24774	14.7
468.69901	1.3
499.27155	8.0
499.31137	5.6
500.30795	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03435	1.6
59.01382	100.0
60.01671	1.6
61.98829	29.8
67.01873	1.4
69.60466	3.1
69.60876	6.8
71.01380	9.7
72.99272	1.4
73.02924	3.1
80.79005	1.3
83.01379	2.9
85.02434	1.4
85.02932	4.6
89.02431	5.4
95.01408	1.6
96.95999	3.0
98.19913	2.9
99.00953	2.1
101.02441	9.1
107.01367	3.9
111.00888	33.0
112.01189	1.4
113.02435	5.0
116.00613	1.2
118.92019	1.2
119.03507	3.3
123.00892	9.8
125.02469	12.5
134.05011	1.6
139.00339	2.7
139.04053	1.4
140.01137	3.2
151.00339	5.1
161.02431	1.6
161.04495	3.5
167.10757	2.5
168.00613	3.4
169.01436	18.7
170.01659	2.0
175.02678	3.5
176.03514	6.3
178.42360	1.4
179.10754	2.8
183.10262	18.3
185.11794	1.8
193.05017	1.6
211.02431	5.8
225.11230	1.6
270.72229	1.6
271.04703	6.5
273.07275	1.5
274.07877	1.8
301.00140	1.4
313.05740	2.3
338.08908	8.4
347.17111	10.2
436.12573	1.6
455.18805	2.1
499.18066	68.5
500.18185	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	499.1825
Annotation	Rolapitant
Peak:m/z	Relative Intensity
54.42181	0.5
57.03415	0.8
58.00574	0.7
59.01385	16.0
61.98812	1.2
69.47363	0.5
70.14625	2.1
70.15025	1.1
71.01387	10.7
71.21549	0.5
72.99318	1.1
73.02920	1.8
79.01890	1.4
83.01375	1.7
84.83516	0.5
85.02961	3.8
89.02441	8.5
90.45474	0.6
95.01395	2.1
96.96011	1.3
98.95551	0.7
99.00869	0.6
101.02461	10.2
107.01387	3.3
111.00868	1.7
113.02472	4.2
119.03519	3.5
119.05015	0.7
122.25024	0.6
123.00897	13.6
124.01659	1.1
125.02451	15.2
126.02804	0.7
136.98793	1.0
137.02451	0.8
139.00365	4.2
139.04019	0.9
139.07634	0.5
140.01152	1.9
141.01950	1.3
145.02945	0.8
150.06903	1.2
151.00404	6.8
153.01953	0.7
157.08748	1.2
163.04025	1.3
163.07628	1.2
167.10841	3.7
168.00606	2.7
168.11079	0.7
169.01436	17.9
179.10738	1.9
193.05026	0.8
201.35739	0.5
211.02483	5.8
271.04654	5.3
301.03317	0.7
313.05792	0.8
336.19373	3.6
337.20135	2.6
347.17111	14.8
348.17447	1.0
358.03906	0.6
374.92584	0.5
376.97348	0.5
381.49588	0.5
401.99698	0.5
436.13388	3.0
455.19247	3.2
481.17123	3.6
482.16772	0.7
499.18280	100.0
499.25095	5.5
500.18542	11.6
500.25455	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	499.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03444	1.4
59.01385	10.8
61.97216	0.4
61.98822	2.0
62.16284	0.5
67.01910	1.0
69.03461	0.5
69.52728	3.6
69.63042	0.4
71.01392	9.5
72.99316	1.2
73.02953	3.2
79.01950	0.5
83.01396	1.4
85.02955	3.9
87.00870	0.9
89.02457	4.5
91.20447	0.6
95.01388	1.8
96.96006	1.8
97.02966	1.0
98.19869	0.7
99.00910	1.3
101.02456	7.7
103.04030	0.5
107.01421	2.9
111.00890	1.9
113.02444	3.8
119.03473	1.2
119.05051	0.9
122.99970	0.7
123.00896	13.7
124.01698	1.0
125.02467	15.5
126.02805	0.5
127.07665	1.1
131.03441	0.9
132.31000	0.5
134.92720	0.5
136.98839	1.0
137.02490	0.6
139.00401	4.0
140.01147	1.8
141.01964	1.9
145.02922	0.7
151.00383	8.4
167.10770	2.1
168.00679	2.2
169.00006	0.8
169.01439	16.2
179.10780	0.7
185.11874	6.3
185.33157	0.5
186.12091	0.5
205.04959	0.5
211.02492	1.5
227.00348	0.6
271.04721	1.3
310.10449	0.5
313.05554	1.0
329.16321	0.9
347.17108	27.7
348.17450	1.6
436.13455	0.9
455.19040	0.7
461.21588	0.5
481.16956	2.5
499.18234	100.0
500.18533	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	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03452	77.4
58.03791	1.0
59.01384	17.6
60.35266	1.0
61.98840	5.9
69.41377	8.2
71.01384	14.5
72.99323	1.6
73.00800	0.9
73.02952	15.0
75.00874	2.0
75.05006	1.0
81.03463	1.5
83.01392	2.4
85.02950	7.3
87.00865	5.5
87.04549	1.1
89.02455	4.2
95.01382	0.9
96.96074	1.8
97.02956	1.4
97.06627	1.4
99.00883	1.3
99.04525	38.6
100.04879	1.4
101.02445	20.1
103.04021	3.4
106.49301	1.0
107.04980	1.3
108.76846	1.1
113.02446	7.6
123.00917	1.6
123.04472	1.3
123.08269	1.6
125.02452	19.1
125.09700	1.2
131.03516	16.1
133.50882	1.0
135.04535	10.9
135.11798	2.4
136.38863	1.0
137.02441	1.3
137.31267	0.9
139.03983	1.2
140.01169	1.2
145.02910	1.3
151.00349	2.8
151.07684	1.4
159.11861	1.0
160.21451	1.1
161.04512	2.6
161.09763	1.5
161.13373	1.0
163.04019	66.8
164.04376	3.2
168.00667	2.2
169.01431	5.0
178.06364	70.9
179.06723	2.0
179.10773	13.2
184.86932	1.1
187.11253	2.5
191.03532	4.0
193.08708	100.0
194.08946	4.6
198.55252	0.9
205.12335	3.1
211.00642	1.0
211.02524	3.9
221.11865	1.1
223.09718	1.5
267.07196	5.9
267.10922	2.6
271.04623	5.2
293.08829	5.1
369.38876	1.1
419.67877	1.1
445.57904	1.3
455.19116	5.3
455.34122	2.0
456.19189	1.3
481.31497	3.1
499.18484	22.7
499.33154	1.8
500.17630	1.9
500.22556	1.7
518.07019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03440	1.5
58.29689	0.8
58.29993	0.8
59.01387	15.6
61.98839	12.2
64.77839	0.8
66.52489	0.7
67.01917	0.9
68.99822	0.9
69.03445	0.9
69.49353	7.2
71.01389	16.1
71.05027	1.2
72.99326	2.0
73.02952	11.3
75.00882	1.3
83.01406	2.5
83.05028	0.9
84.27814	0.8
85.02968	9.7
87.00874	2.5
89.02451	3.9
90.37126	0.9
95.01389	2.5
95.05043	1.3
96.96022	2.6
97.02959	1.4
99.00865	2.7
99.04527	1.8
101.02459	8.3
101.68311	0.9
103.04012	1.8
107.01410	4.8
111.00877	3.2
113.02463	8.9
119.03487	1.5
123.00894	9.0
124.01699	3.2
125.02454	28.0
125.09760	1.2
126.02763	2.2
127.00395	1.6
131.03513	10.4
132.88831	0.9
135.11804	3.6
136.98790	1.4
137.02498	1.6
138.03268	0.9
139.00388	4.3
139.04005	1.6
140.01169	5.2
141.01817	1.2
151.00374	5.6
151.04099	1.1
151.07603	2.4
161.02489	1.1
161.04584	2.8
161.09720	3.3
161.60806	0.9
161.62291	0.8
165.02017	0.8
167.03477	1.8
168.00648	12.3
169.01436	44.0
170.01718	1.2
175.02757	1.6
176.03528	1.8
179.10793	16.5
183.02966	1.1
193.12355	1.1
205.08788	1.2
211.02489	55.2
212.02817	2.8
223.09825	2.0
241.03375	1.3
267.07220	8.5
271.04605	100.0
272.04971	5.6
293.08783	3.8
331.06702	13.9
338.08911	1.6
368.89459	1.0
455.19153	2.5
481.31046	1.5
498.35193	0.9
499.17557	56.3
499.33127	2.4
500.17935	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	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10370	1.3
55.01863	1.9
57.03463	2.7
59.01380	28.5
61.98828	13.6
69.03468	1.6
69.33576	7.8
69.34003	5.0
71.01389	37.2
72.99324	2.5
73.02953	36.3
73.47078	1.5
75.00884	2.1
75.06358	1.4
79.01898	4.5
79.05560	1.3
83.01397	3.0
85.02958	10.9
87.00893	5.6
89.02460	7.1
93.03498	3.4
95.01381	1.8
99.00890	2.0
101.02448	16.5
103.04012	10.0
111.04525	3.8
113.02468	9.4
119.03555	3.3
119.05029	20.9
123.00905	3.2
125.02441	7.1
131.02513	3.1
131.03513	60.3
133.10266	2.8
135.04568	9.7
135.11804	11.6
143.03531	2.2
151.00429	1.6
151.04056	1.6
159.08128	1.9
161.04547	9.5
161.09700	16.5
168.28450	1.5
169.01405	4.5
178.02757	1.4
179.03520	17.4
179.10776	32.6
180.11166	2.0
193.05046	1.5
193.12297	2.5
203.10786	2.8
205.05154	2.2
215.13016	1.7
221.11827	3.5
229.84099	1.6
267.07257	7.6
275.07751	2.8
293.08804	41.0
299.09256	100.0
300.09668	15.1
301.09882	6.4
450.88855	1.4
455.19180	20.0
456.19449	3.0
481.31677	1.8
486.92975	1.6
499.17203	22.5
499.28806	2.5
499.32776	3.2
523.25098	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	498.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.0
59.01392	2.3
61.98839	86.8
62.03410	1.3
66.15039	1.4
67.39870	1.3
69.80186	8.2
81.03468	4.5
82.32022	1.5
83.05022	1.4
85.02976	2.7
87.04614	1.2
98.20605	2.4
120.64738	1.3
121.02880	1.4
125.02464	28.7
131.38802	1.5
139.04068	1.5
153.05565	3.7
162.41832	1.3
166.02731	2.6
179.85233	1.6
223.11473	1.3
279.12387	1.7
288.85663	1.3
306.48566	1.4
435.23914	100.0
436.24176	12.7
499.30759	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	499.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	8.5
61.98832	30.2
64.74798	3.9
71.01385	8.4
71.60536	5.2
84.13043	3.9
89.02417	6.4
96.96022	10.9
100.14772	5.1
101.02419	3.9
123.00893	17.0
125.02451	15.3
128.80859	4.2
151.00397	18.1
169.01410	22.6
271.02512	14.5
283.49063	4.4
287.01956	7.6
300.02609	4.9
316.02182	35.1
317.02817	8.3
463.08841	56.6
464.09033	7.1
499.11743	6.2
499.18362	100.0
500.18536	12.3
522.63556	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	499.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.2
61.98819	1.2
67.01899	0.5
69.42242	2.8
71.01385	1.9
72.99283	0.5
73.02955	0.6
79.95746	22.2
80.96524	0.6
83.01406	0.6
85.02956	1.2
89.02458	0.6
95.01398	1.3
95.95240	12.5
96.96017	100.0
97.02958	0.7
101.02444	1.7
107.01420	2.6
109.02966	0.9
110.97585	7.3
111.00910	1.0
113.02458	1.2
123.00890	8.7
124.01683	1.0
125.02454	10.7
126.02824	0.6
127.62646	0.4
135.04541	0.8
136.98782	1.0
137.02513	0.8
138.03226	1.5
139.00389	3.5
139.04077	0.5
140.01190	2.3
141.01891	1.1
141.95786	0.5
151.00421	7.4
152.01114	1.0
153.01947	1.4
153.05647	0.5
163.03880	0.7
166.02759	0.6
168.00671	1.5
169.01427	12.2
176.03537	0.5
177.01988	0.4
181.05118	1.3
191.07217	0.7
192.04414	0.6
193.05072	0.7
211.02567	0.7
271.04712	0.7
289.03979	1.5
313.05792	0.9
337.12961	0.6
345.06735	0.5
347.17032	0.8
389.12317	2.1
413.09070	0.7
421.16086	0.5
469.08008	4.4
484.10547	3.5
485.10907	0.6
499.12781	69.4
499.18582	42.4
500.13141	8.5
500.18985	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	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
56.60882	1.6
57.03462	3.9
57.39675	1.7
59.01384	40.5
61.98846	14.1
69.03462	2.1
71.01393	55.1
72.99303	4.3
73.02956	55.6
75.00888	4.8
76.41386	1.6
83.01395	7.3
83.05022	1.7
84.71954	1.6
85.02953	18.3
85.58774	1.5
87.00903	10.0
87.04506	4.4
89.02437	14.0
95.01408	4.7
95.05047	2.2
96.96027	3.5
97.02932	3.8
99.00872	5.5
101.02447	20.4
101.06091	7.4
103.04025	16.5
107.01383	2.9
109.72012	1.5
111.00893	2.0
111.04559	2.3
113.02462	35.6
113.06060	2.0
119.03495	4.7
119.92627	1.5
123.00895	8.5
125.02438	15.4
125.09647	1.5
131.03514	100.0
132.03824	1.9
133.10220	2.5
135.11818	12.5
139.00363	3.6
143.03500	2.2
151.00398	3.7
159.03011	2.1
159.08194	5.0
161.04561	13.0
161.09720	16.5
161.13324	2.8
167.07112	3.0
168.00546	2.1
169.01414	11.4
175.11229	1.5
179.10789	76.9
180.11069	4.1
187.11345	2.2
193.12299	7.0
203.10797	4.1
205.08739	1.7
205.12271	3.6
211.02583	1.7
221.11877	6.4
267.07208	1.7
267.10870	6.1
275.07886	3.5
293.08832	41.6
293.12097	1.5
294.09198	2.1
311.70541	1.5
397.11237	2.4
455.19351	21.9
455.33896	1.9
456.19699	2.5
481.31525	2.6
499.18448	66.5
499.33902	7.3
500.18790	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	498.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90840	0.3
57.03446	0.2
57.60000	0.2
59.01395	1.0
59.33947	0.2
61.98838	100.0
62.19674	0.2
71.01396	1.1
71.61203	0.3
73.02952	0.4
79.95747	0.2
84.32803	0.3
85.02971	0.5
87.00920	0.3
89.02475	0.5
89.73530	0.2
94.26378	0.3
97.06590	0.2
101.02491	0.7
113.02487	0.5
125.02485	1.0
139.04037	0.5
153.05632	0.4
161.04604	0.3
161.09708	0.3
169.01422	0.5
436.56781	0.3
438.24515	0.7
444.39767	0.2
455.23193	0.3
498.32239	0.5
499.22098	1.0
499.33475	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	498.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81202	1.2
59.01382	11.8
61.98832	13.5
69.03478	1.3
69.46287	10.4
71.01378	6.5
72.99305	1.3
79.01901	1.2
83.01399	1.8
85.02962	3.3
86.66086	1.1
87.00891	1.7
88.21790	1.2
89.02450	3.5
89.50280	1.0
95.01395	3.7
96.96015	22.6
101.02435	4.6
107.01398	4.6
111.00885	3.0
113.02477	3.0
123.00889	18.8
125.02455	31.8
126.02789	4.3
134.03812	1.6
136.98886	1.6
139.00365	5.6
140.01126	3.9
141.01910	1.8
143.85268	1.1
151.00400	14.6
152.00662	1.2
160.01682	1.2
163.04039	1.2
168.00685	4.6
169.01445	40.5
170.01814	7.7
175.03954	1.3
176.04747	1.4
193.05078	2.9
196.66435	1.2
207.48970	1.2
211.02446	9.8
212.02876	3.0
235.06026	2.1
246.41351	1.4
257.06689	1.2
271.04630	11.3
272.04913	2.7
313.05582	7.8
314.05978	5.5
323.13550	2.1
336.19489	1.8
337.20215	1.7
430.88416	1.3
435.12976	100.0
436.13205	11.7
467.94669	1.4
497.16629	4.6
498.17081	32.2
499.18222	30.0
499.25449	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	498.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44825	0.8
59.01395	4.8
61.98846	4.2
71.01399	4.9
71.30611	1.6
73.02972	1.3
79.01920	1.1
83.01391	1.3
89.02453	2.0
95.01419	1.5
96.96032	3.0
97.02938	1.6
101.02452	2.7
107.01398	3.0
111.00874	2.0
113.02496	2.0
117.03472	1.2
121.02996	0.8
121.05083	1.3
123.00897	10.1
125.02448	14.3
139.00389	3.8
139.04030	1.4
140.01118	2.3
141.01933	1.6
145.02945	2.0
147.04512	1.3
151.00365	8.3
153.02010	1.0
160.79526	0.8
161.02487	1.7
163.04022	1.2
165.01994	1.2
168.00616	3.0
169.01442	24.3
170.01770	1.3
173.02420	1.4
177.02000	1.3
189.01901	1.6
190.02646	1.5
191.03468	2.4
193.01474	0.9
201.02083	1.1
205.01404	1.1
211.02512	4.0
213.01897	1.0
216.29526	0.8
217.01401	1.2
219.03012	1.1
221.04344	0.9
225.65901	0.8
229.01450	2.4
231.02924	1.7
245.01073	1.5
247.02608	1.2
248.03015	1.5
249.03864	1.2
257.00961	1.4
271.04608	7.8
273.00259	1.5
274.01102	1.0
275.01953	6.4
300.99854	11.0
302.00186	1.2
313.05640	3.3
316.99258	1.1
331.06857	1.5
388.14874	0.8
391.02832	1.3
435.11450	100.0
436.11783	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	498.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69598	0.2
55.30894	0.2
59.01374	0.4
60.62050	0.2
61.98832	100.0
64.47464	0.2
69.59858	0.5
69.60279	0.8
71.01403	0.4
81.03474	0.6
83.01403	0.3
89.02464	0.2
93.03482	0.4
98.19899	0.3
119.03576	0.2
119.05058	0.6
123.00938	0.3
123.04530	2.0
125.02459	2.4
126.02724	0.3
149.02466	0.2
150.06926	0.5
151.00357	0.5
167.03508	5.1
167.04907	0.3
168.00691	0.3
169.01399	1.1
170.01768	0.4
179.03519	0.6
179.10777	0.5
211.02628	0.5
212.02879	0.4
238.80229	0.2
244.46159	0.2
271.04688	1.0
272.05063	0.7
273.07690	9.0
274.08069	0.5
321.16730	0.3
337.20328	0.4
432.66736	0.2
435.12714	1.5
498.17218	1.3
499.18204	0.9
499.25638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01386	6.9
61.98835	100.0
71.01389	4.6
71.61140	0.7
72.99325	0.9
73.02950	1.3
74.02463	0.8
76.00504	0.6
79.01926	0.8
83.01402	1.2
85.02975	1.6
87.00898	1.0
89.02462	2.2
93.03471	1.3
93.47306	0.6
95.01402	1.4
95.05011	0.7
96.96029	3.1
97.02965	1.2
101.02464	2.6
107.01409	1.9
108.02192	0.9
109.02979	3.1
110.97598	2.2
111.00907	1.9
113.02467	1.5
119.03551	1.5
123.00883	5.3
123.04550	2.0
125.02455	10.4
126.02805	1.1
129.05659	0.7
139.00377	1.7
141.06714	1.2
145.02982	1.6
147.04498	0.9
151.00429	3.3
151.04030	1.1
151.07661	1.0
168.00682	2.6
169.01440	11.3
170.01825	2.0
177.01967	4.4
179.10809	1.4
183.10295	1.5
183.99844	0.7
185.11867	0.7
189.01994	5.5
190.02682	1.2
191.03558	2.0
196.00731	1.7
211.02533	2.0
212.02827	0.8
216.00650	0.7
217.01411	5.2
218.02089	0.7
219.03006	2.1
223.09831	0.7
231.03046	2.5
241.81488	0.6
271.04688	1.8
272.04953	0.9
289.07098	0.8
302.41428	0.8
311.05728	0.9
313.05624	1.3
341.06641	13.4
341.10547	0.9
342.07202	1.6
347.16937	3.6
376.49451	0.8
384.33911	0.6
432.07178	0.9
432.57050	0.7
433.09396	0.6
435.10837	16.1
435.23679	0.8
436.11246	1.2
453.24896	0.8
497.20950	1.0
497.27362	1.1
498.16199	12.1
499.18030	21.9
518.20313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2547
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
57.03438	2.4
59.01369	3.8
61.76460	0.9
61.98833	2.2
64.23038	0.8
71.05032	6.7
71.60612	1.2
73.02923	0.8
78.95895	1.4
79.01871	1.7
81.03465	1.7
83.05029	1.2
85.02948	1.4
85.06602	11.3
87.00893	0.9
88.66378	0.9
93.03492	0.8
94.98056	0.9
95.01364	1.2
95.05010	6.2
97.02944	3.1
97.06613	1.0
99.92519	0.8
109.02928	0.9
111.00855	1.2
113.02452	0.9
121.06552	1.1
121.82726	0.8
125.02438	3.9
137.06062	2.4
138.03246	1.5
139.03032	1.5
139.04030	22.5
140.04269	1.0
151.07549	1.2
160.16310	0.9
165.01900	3.5
166.02705	5.1
179.03542	1.5
180.04239	3.7
181.05008	1.1
193.05011	3.4
198.01706	1.0
201.15503	0.9
236.10287	1.1
238.53616	0.9
323.19983	1.4
367.19098	1.1
385.20081	3.5
386.20517	0.9
415.24939	8.5
416.25156	1.6
440.21454	1.1
441.22849	11.3
442.22998	1.2
453.26373	9.9
454.27274	1.4
455.24289	3.2
497.25394	100.0
498.25818	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57621	0.6
55.01883	0.6
57.03442	1.7
59.01383	6.2
61.98836	8.3
65.00343	0.6
66.08559	0.5
67.01900	1.3
68.99831	0.5
69.03489	1.0
70.85897	0.6
71.01382	7.9
72.99337	1.3
73.02957	3.6
75.00879	1.9
77.71381	0.7
79.01908	1.4
81.03438	0.7
83.01408	2.7
83.23878	0.5
85.02958	5.9
87.00890	1.7
89.02439	2.7
95.01404	2.5
95.05007	0.8
96.96019	2.1
97.02959	1.8
97.06626	1.1
98.95568	0.6
99.00916	1.8
99.04562	0.9
101.02447	3.8
107.01392	6.5
109.02960	1.3
109.06490	0.6
111.00848	3.1
111.04522	0.7
113.02461	3.2
113.06083	0.6
115.85254	0.6
121.03036	0.6
123.00898	14.3
123.04559	3.4
124.01733	1.0
124.04851	0.6
125.02459	28.6
125.06129	0.7
125.09737	1.8
126.02849	1.3
127.00369	1.7
129.01984	0.9
129.05627	0.6
131.03569	0.6
133.02914	0.6
135.08228	0.6
135.11848	0.8
136.01691	0.6
136.05342	0.8
136.98796	0.9
137.02438	0.8
139.00388	6.3
140.01198	3.3
141.01939	1.9
149.04486	0.9
151.00381	10.6
151.04022	3.1
151.07755	1.5
152.04807	0.9
153.02048	0.9
153.05586	2.6
161.02434	0.8
161.04532	1.4
161.09752	0.7
163.03995	1.4
165.05647	0.8
167.03537	2.1
168.00705	5.2
168.03839	0.9
169.01443	40.5
170.01813	1.8
177.04089	7.5
179.03499	0.6
179.10802	1.8
181.04967	0.5
211.02510	2.6
221.11914	0.7
226.69818	0.6
271.04639	2.5
291.11038	1.1
293.08859	1.4
297.06195	0.7
313.05753	3.2
329.05478	1.8
335.14288	0.6
338.66953	0.6
357.53378	0.7
371.09930	6.6
372.09906	0.7
373.44971	0.6
437.24664	1.3
453.17560	0.8
453.32657	0.8
479.30319	2.3
497.20432	100.0
497.27573	12.4
498.20898	11.6
498.28250	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	497.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.6
61.98822	9.6
70.29421	2.2
71.01379	11.2
71.60580	2.8
74.99100	2.2
78.00569	2.1
78.03448	2.8
79.95734	32.6
80.05049	7.7
83.01349	3.3
85.02932	3.0
87.00871	4.0
88.93297	2.2
89.02431	6.4
92.05034	4.3
94.06615	7.7
95.01408	2.5
96.96010	78.0
97.01660	4.2
97.02924	3.3
98.06111	3.9
101.02439	5.4
106.02966	2.8
106.06633	5.4
108.04536	2.5
109.02947	2.8
109.05300	3.5
110.97559	7.7
111.00897	5.7
113.02399	3.0
119.03436	2.9
119.47438	2.0
120.04565	12.1
120.99650	4.9
121.02941	3.2
121.05334	7.0
122.06108	36.6
123.00871	5.3
123.04521	3.8
124.03961	2.3
124.06855	2.9
124.07689	35.0
125.02457	20.9
130.06560	2.2
134.06038	3.2
135.04529	3.1
136.04027	12.2
137.02448	2.1
138.05603	3.7
139.00342	3.9
139.04012	9.8
141.95729	2.2
148.04050	83.8
148.07677	3.8
149.02373	3.2
150.03157	3.2
150.05606	27.6
151.00366	2.9
152.07132	4.2
161.02356	5.1
165.01918	4.8
166.05066	8.8
166.99849	2.2
168.06644	12.2
169.01431	22.8
170.01857	4.0
179.03523	2.2
181.05009	7.0
183.02939	12.1
183.05533	3.5
194.04604	4.3
197.07137	7.1
198.07965	2.4
200.09480	8.6
210.04060	4.0
211.02594	2.7
211.08783	4.5
212.09396	13.0
213.10260	6.0
215.10287	2.5
215.11917	30.3
225.06718	30.2
225.10313	6.7
226.07222	4.6
226.10966	7.0
227.08240	3.1
227.11861	40.7
228.08902	3.8
228.12202	2.7
231.11374	6.7
239.00354	2.6
240.09010	32.5
241.09674	3.8
243.11346	21.2
255.11372	85.7
256.11688	4.3
265.09219	2.6
271.04559	7.4
271.10941	2.6
272.11694	4.1
273.00085	3.2
273.12442	100.0
274.12704	6.4
275.10361	6.2
287.10355	7.6
291.13483	14.2
299.10388	21.0
300.99884	9.8
302.00336	2.7
316.10580	16.4
317.11392	98.9
318.11807	12.4
334.11548	2.8
335.12451	43.2
336.12711	2.4
345.08121	6.8
437.15958	3.8
453.12958	4.9
467.06323	5.5
479.16620	79.3
480.17072	10.5
489.31104	2.4
497.11218	75.1
497.17578	18.4
498.11478	11.2
498.18066	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	497.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.4
61.89505	1.2
61.98837	2.9
65.00328	1.9
67.70952	1.4
68.99833	1.7
70.22906	6.7
71.01379	10.1
71.05031	17.3
79.95744	2.9
80.05064	3.1
83.01404	2.8
84.70171	1.4
85.02914	3.4
87.00903	3.4
87.40669	1.6
89.02422	2.8
94.06593	2.8
95.05002	3.8
96.96023	7.3
96.97825	1.9
97.01722	2.3
97.02953	8.6
101.02460	4.4
106.02972	3.3
106.06641	2.6
107.01397	11.9
111.00893	7.1
113.02444	3.5
117.05594	4.2
119.05017	5.0
120.04551	4.0
120.99689	4.2
121.02958	4.0
121.05347	2.5
122.06113	12.8
123.00898	13.8
124.01694	3.1
124.07697	12.1
125.02447	73.6
126.02790	4.3
135.04506	3.0
136.04062	6.4
136.98946	2.7
137.02434	9.5
138.03160	2.1
139.00374	9.4
139.04016	62.6
140.01151	3.7
141.01862	1.6
148.04042	31.2
149.02457	2.0
150.05626	8.7
151.00375	10.4
151.03972	3.6
158.81993	1.6
161.02339	2.9
163.03918	2.8
165.01936	28.9
165.05559	2.4
165.82533	1.6
166.05046	4.1
166.99861	10.5
168.00697	8.9
168.06630	4.7
169.01434	100.0
170.01755	6.4
183.02969	5.9
185.00858	2.8
189.01877	2.0
193.01315	2.2
197.07191	2.0
207.03091	1.7
211.02483	20.8
212.09560	4.7
215.11882	3.9
217.01422	2.2
225.06749	3.1
226.11070	2.3
227.11909	9.1
229.01447	2.1
231.02881	1.8
231.11302	7.0
240.09050	4.8
241.03473	3.2
241.09761	2.9
243.11386	5.9
245.00658	2.1
247.02452	3.0
255.11346	10.3
271.04602	32.1
271.11075	1.7
272.11722	3.6
273.00510	2.4
273.12476	26.3
275.01950	4.5
275.10373	9.4
291.13379	2.9
299.10315	5.4
300.99921	7.5
302.00385	1.9
313.05682	29.9
314.06067	4.4
315.06088	2.3
316.10605	7.1
317.11389	34.7
331.06714	5.4
334.11661	3.2
335.12390	10.3
345.08197	5.5
417.10245	2.9
434.13629	3.3
437.15598	12.4
453.10052	20.0
454.10773	2.8
479.08337	42.3
479.16690	23.4
480.09091	3.5
480.16855	3.7
497.08936	54.7
498.09943	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	497.1668
Annotation	Globulusin B
Peak:m/z	Relative Intensity
57.03456	2.2
59.01389	4.5
59.13225	0.6
61.98843	5.0
67.01904	0.9
69.03461	0.8
69.28026	0.5
70.72728	0.6
71.01389	7.0
73.02959	1.6
75.98339	0.7
81.03461	0.8
83.01402	1.6
85.02967	1.4
85.56192	0.6
87.00885	0.8
89.02458	0.8
95.01405	1.3
96.96021	7.6
97.02957	1.1
98.05422	0.6
98.19865	2.1
99.04504	1.0
101.02455	2.5
107.01396	9.4
111.00879	3.4
113.02476	1.7
123.00903	8.7
124.01691	1.7
125.02457	66.1
126.02803	1.9
127.00367	0.7
139.00383	3.3
139.04048	4.1
140.01157	2.2
141.01984	0.8
149.02449	0.7
151.00398	6.9
153.05569	0.8
156.76196	0.7
167.03488	0.7
168.00668	7.5
169.01448	100.0
169.04987	3.9
170.01736	3.1
183.02985	0.8
183.10187	0.8
193.01601	0.8
207.02850	0.7
207.50667	0.6
211.02515	17.9
223.27078	0.6
229.97957	0.7
241.03555	4.9
271.04602	27.0
272.04849	1.6
313.05667	49.0
314.06100	3.3
331.06769	2.9
339.04782	0.6
416.73492	0.7
435.12952	2.2
437.14740	0.7
453.17587	1.3
497.16681	83.3
498.17014	10.6
498.28149	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	497.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79722	0.5
53.85476	0.7
56.23286	0.6
57.03452	0.7
59.01383	3.1
61.98837	1.7
69.03465	2.5
69.31506	4.6
69.31908	0.8
71.01395	2.3
73.02945	0.8
73.49205	0.5
74.09492	0.6
79.95752	2.4
81.03447	1.3
83.01392	1.5
85.02969	1.3
87.00893	0.6
89.02454	1.3
95.01412	1.0
96.96024	6.4
97.02969	1.5
101.02441	1.1
107.01398	1.6
111.00926	1.1
113.02474	1.0
117.05556	1.1
123.00913	3.4
123.04564	0.7
124.01672	5.7
124.76095	0.6
125.02458	80.0
126.02782	1.7
128.25511	0.6
137.02470	1.1
139.00403	1.8
140.01207	0.9
151.00381	3.6
166.02669	1.3
166.05080	1.1
166.99847	1.1
168.00656	9.2
169.01439	100.0
170.01768	3.0
177.04065	0.7
181.05185	1.2
183.10033	0.6
211.02473	2.5
267.00040	0.6
271.04556	2.6
271.10989	1.0
272.11368	1.5
273.11362	1.3
313.05655	2.5
331.06747	3.7
335.11496	0.6
345.15744	1.4
386.13205	0.6
417.15408	0.6
436.03088	0.7
437.26947	0.7
453.17703	2.1
479.15656	1.2
497.16708	84.4
498.17038	11.1
502.78568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98835	100.0
67.61362	0.5
69.48837	3.3
74.49474	0.5
87.00903	0.5
98.20648	0.9
124.01670	0.9
125.02473	0.7
139.04007	3.9
179.03654	0.5
377.96838	0.5
383.22058	0.5
408.12830	0.5
410.08606	0.5
433.25977	9.2
434.26685	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	496.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.51386	2.5
100.92528	1.4
111.04562	1.5
153.05556	4.1
162.83929	4.6
177.65105	1.4
179.65320	1.3
199.03897	1.5
205.39731	1.4
210.72108	1.6
240.64305	1.7
291.73978	1.4
433.29614	21.7
434.30075	2.4
459.31461	1.5
460.31940	2.0
497.29025	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	497.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84909	1.0
59.01384	1.2
65.07864	1.0
67.01876	1.2
68.99817	1.2
70.11775	2.0
70.12172	2.1
71.01385	2.7
71.05029	6.5
71.74064	1.0
77.03957	2.2
79.01859	1.2
83.01412	1.9
85.02919	1.0
90.53719	1.1
93.03482	2.1
95.01380	1.8
95.05025	3.9
97.02948	12.9
100.68049	0.9
107.01390	4.2
109.03033	0.9
111.00848	1.1
121.02969	7.4
121.03713	1.4
122.06139	1.5
123.00909	4.8
124.01636	1.7
124.07710	1.7
125.02450	29.5
130.94077	1.1
137.02451	25.1
139.00397	1.6
139.04007	72.7
140.01193	1.7
140.04332	2.9
141.01874	1.4
148.04034	2.7
151.00372	3.4
163.04007	3.5
165.01926	100.0
166.02248	4.5
168.00647	4.5
169.01424	34.8
170.01738	1.5
183.02974	6.7
187.61275	1.0
207.03001	2.8
211.02466	17.1
241.03331	1.0
243.11302	1.4
271.04581	49.2
272.05051	2.8
273.12378	2.4
301.00009	1.1
313.05634	13.2
317.11371	2.0
331.06662	22.4
345.08224	23.6
346.08777	1.5
415.32022	1.0
434.14285	1.5
437.15375	1.4
453.10336	4.3
479.08398	18.2
479.15701	1.9
497.09332	31.3
498.09729	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	497.1307
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
54.81268	0.4
59.01391	1.1
61.98827	1.5
62.13818	0.4
67.01893	1.6
68.43014	0.4
68.99817	0.7
69.03465	0.9
69.41486	2.6
69.41901	0.7
71.01392	3.9
72.99310	0.6
73.02965	0.7
75.00851	0.5
75.37541	0.5
79.01891	1.3
83.01373	1.2
85.02963	1.1
87.00874	0.8
89.02426	0.5
95.01388	2.4
96.96001	1.2
97.02966	1.2
98.20610	1.1
99.00871	0.5
101.02431	1.6
107.01397	9.3
110.00083	1.3
111.00880	3.8
113.02439	1.5
114.16249	0.4
117.05565	0.6
123.00895	15.0
123.42631	0.4
124.01734	2.1
125.02456	39.0
126.02767	1.1
127.00373	1.9
136.98860	2.2
137.02437	1.0
137.99577	1.1
139.00388	9.0
139.03967	2.0
140.01186	5.5
141.01912	1.7
151.00378	8.5
153.01949	19.6
154.02666	2.0
154.99872	0.5
155.03452	0.5
161.04669	0.5
163.04025	0.4
166.99818	1.8
167.99338	0.8
168.00659	8.0
168.04294	15.4
169.01437	48.8
169.04497	1.2
170.01735	1.3
181.01424	0.7
183.03008	5.4
183.06544	2.2
184.41368	0.5
211.02422	1.8
225.03918	0.6
241.03554	0.5
271.04486	0.5
297.06131	1.7
313.02225	0.8
313.05695	13.8
314.06039	1.0
327.07111	3.6
341.09042	0.6
412.09439	0.5
430.16907	0.5
472.62643	0.5
482.10703	0.9
497.12964	100.0
498.13425	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.33522	0.5
58.27704	0.5
59.01382	3.5
61.98835	1.6
67.01917	0.9
69.03443	1.5
71.01395	5.7
72.99317	0.7
74.99101	1.1
75.00858	0.7
79.01916	0.9
81.03477	0.8
83.01382	1.3
85.02963	1.7
87.00876	1.4
89.02461	2.0
95.01393	1.5
96.96014	4.1
97.02975	1.8
101.02454	2.5
102.98652	0.8
103.02258	0.8
107.01386	9.3
109.02978	0.7
110.00111	0.7
111.00910	3.3
113.02486	1.5
117.05583	3.0
120.99670	1.0
121.02963	1.5
121.05335	0.9
122.03742	1.0
122.06096	1.6
123.00897	9.3
123.04560	1.2
124.01670	3.4
124.07714	1.2
125.02457	57.9
126.02789	2.6
127.00408	1.3
133.03003	0.6
135.04482	1.2
136.98840	2.4
137.02483	1.5
138.05637	3.8
139.00351	5.5
139.04016	2.8
140.01173	4.0
141.01895	0.7
145.72981	0.6
148.04066	1.9
150.02928	0.6
150.05588	0.9
151.00380	7.1
151.04102	0.6
153.01985	4.4
153.05562	1.3
154.02725	1.7
161.02518	1.4
161.04556	0.5
163.00490	0.6
163.04059	0.7
163.45149	0.5
165.01921	0.9
165.05620	0.6
166.99765	1.0
168.00668	7.8
168.04297	5.1
169.01434	67.5
169.05014	4.0
170.01808	2.2
177.01959	0.7
179.03525	1.5
180.06644	0.6
183.03021	7.9
183.06612	8.2
189.01924	0.6
193.01529	0.6
193.05109	0.6
195.02867	0.6
211.02489	2.7
223.02446	0.7
229.01570	0.7
231.11458	0.7
241.03543	2.3
255.11438	2.8
271.04593	1.4
273.00427	0.9
273.12466	2.1
275.02115	1.1
275.10437	1.6
297.06332	2.2
300.99893	2.5
302.00629	0.7
311.52997	0.6
313.05667	22.8
314.06018	1.6
317.11600	0.9
327.07373	2.9
333.02200	0.6
334.02573	0.6
335.12564	2.2
434.14099	0.6
435.17767	0.7
453.19003	1.3
479.17014	0.8
497.13046	100.0
498.13342	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	497.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12925	0.6
57.08772	0.5
58.28341	0.5
59.01385	3.2
61.56842	0.5
61.98815	1.6
67.01910	0.8
69.03463	1.5
69.44461	4.9
71.01389	6.2
71.05007	0.7
72.99300	1.1
75.00851	1.1
79.01904	0.8
79.95754	1.1
81.03413	0.8
81.41863	0.6
83.01374	1.6
85.02947	1.8
87.00900	0.9
89.02451	1.5
93.03421	0.6
94.98055	1.0
95.01396	2.1
96.96023	5.5
97.02956	1.9
98.19881	1.3
99.00911	0.8
101.02442	2.1
102.98565	0.6
103.02223	0.8
107.01398	11.2
109.02915	0.8
111.00894	3.4
113.02441	1.6
117.05566	3.5
121.02969	0.9
122.03715	1.0
122.06116	1.0
123.00890	9.5
123.04524	1.6
124.01711	4.1
124.07687	0.8
125.02451	60.5
126.02792	2.6
127.00373	1.3
134.03712	0.6
135.04546	2.1
136.98860	2.1
137.02422	1.7
138.05638	3.6
139.00385	5.9
139.04010	1.9
140.01180	3.5
141.01939	1.3
147.04346	0.6
148.04048	2.5
149.02454	0.7
150.03255	1.3
151.00400	6.5
153.01950	4.3
153.05569	1.4
154.02675	1.3
161.02483	1.3
165.02005	1.6
165.05511	0.7
166.99872	1.1
168.00642	9.0
168.04289	5.7
169.01434	76.4
169.05046	3.6
170.01768	2.2
177.01990	0.7
179.03435	1.2
181.01390	0.9
183.03009	8.0
183.06592	7.7
203.03600	0.7
211.02473	2.0
220.36090	0.6
226.38898	0.7
229.01424	0.7
231.11487	0.7
241.03554	1.7
247.02348	0.8
255.11386	2.2
257.00815	0.7
271.04691	1.2
273.00552	1.1
273.12561	1.4
275.01941	1.1
275.10254	1.2
297.06366	1.7
300.99982	2.3
313.05640	20.3
314.05795	1.0
317.11414	0.8
327.07407	3.1
335.12411	1.8
434.13931	1.1
453.18707	1.2
497.13062	100.0
498.13275	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	496.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98836	100.0
65.00346	0.7
120.35826	0.5
125.02470	0.7
139.04027	3.6
140.78589	0.5
152.01180	0.7
162.13853	0.5
179.03616	0.7
204.42078	0.4
206.18369	0.6
229.49687	0.6
239.16286	0.5
433.25946	8.2
434.26511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
61.98834	100.0
70.50224	0.7
71.05028	2.3
71.09371	1.6
71.13253	0.6
79.01881	1.0
87.04537	2.4
95.05038	3.2
97.02990	1.2
97.06622	0.8
125.02512	0.7
135.04471	0.9
139.04015	21.5
173.87721	0.7
275.12167	0.7
279.16077	0.8
301.21704	1.5
315.65625	0.7
332.75067	0.7
345.20798	1.4
433.25940	66.9
434.26331	7.3
453.26401	0.8
470.74313	0.7
497.25989	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	496.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80832	1.2
52.79509	1.1
53.51703	1.1
54.11364	1.3
57.03447	2.5
61.98832	100.0
62.48045	1.3
68.27577	1.4
69.32774	11.3
79.01881	1.3
81.03455	6.5
83.05037	1.8
86.04391	1.3
89.45004	1.1
95.01384	1.2
95.05029	1.6
125.02451	21.8
145.77440	1.2
151.00339	2.1
153.74007	1.1
157.78400	1.1
166.02734	1.6
179.03433	1.5
247.17090	1.9
259.16983	1.6
303.15881	2.8
415.20956	1.5
433.22330	93.6
434.22525	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	496.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98836	100.0
65.00346	0.7
120.35826	0.5
125.02470	0.7
139.04027	3.6
140.78589	0.5
152.01180	0.7
162.13853	0.5
179.03616	0.7
204.42078	0.4
206.18369	0.6
229.49687	0.6
239.16286	0.5
433.25946	8.2
434.26511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26466	0.9
59.01383	3.3
61.98830	8.2
68.45548	0.9
70.00443	0.8
70.59044	1.4
70.59428	1.5
71.01366	2.7
72.99321	1.1
73.02958	1.7
78.95895	1.0
83.01369	1.4
85.02947	1.1
87.00853	1.1
95.01408	1.9
96.95988	1.0
96.96938	1.1
101.02458	2.8
107.01364	2.6
111.00841	1.2
113.02451	1.5
117.05624	1.0
123.00896	10.8
125.02453	14.9
137.02414	1.0
139.00381	3.9
140.01195	2.1
141.01933	1.0
148.04022	1.3
151.00389	8.4
168.00647	2.0
169.01428	24.2
170.01805	1.5
173.76489	0.9
181.05144	1.4
191.03487	0.9
211.02516	2.4
229.01312	1.2
271.04684	4.8
273.12518	1.6
300.99887	2.5
313.05716	4.3
419.70355	1.0
433.13501	100.0
434.13837	9.2
496.11652	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	496.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29499	1.2
61.98835	100.0
66.64309	1.7
69.03497	2.3
81.03459	2.7
95.01393	3.0
97.02959	1.5
98.19755	2.4
123.00901	1.8
124.01678	4.1
125.02453	16.3
151.00392	2.1
152.01114	4.5
166.02736	5.3
179.03490	4.8
193.05008	1.2
221.08220	1.9
235.09660	1.9
247.17000	2.4
264.22546	1.3
290.15027	1.3
433.22321	91.0
434.22726	9.2
442.65353	1.3
445.55182	1.4
521.17810	1.4
521.25781	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	496.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.9
59.01384	3.6
61.98833	100.0
66.83064	0.5
69.45728	0.5
71.01392	1.9
71.31490	0.5
71.60849	0.7
73.02985	0.7
80.96541	0.6
81.03493	0.6
82.05473	0.5
83.01381	0.5
85.02976	0.8
89.02463	1.3
95.01427	1.0
96.96004	2.9
97.89981	0.5
99.04529	3.7
101.02446	2.5
104.25504	0.4
107.01392	0.8
109.02967	0.8
111.00922	0.9
113.02475	0.6
115.92781	0.6
120.99670	0.8
123.00925	1.3
123.72972	0.5
124.01661	0.8
125.02455	8.3
126.40614	0.5
139.00383	0.9
145.02928	0.7
151.00380	1.4
163.04102	0.5
168.00682	2.0
169.01425	10.7
177.02003	0.6
183.89197	0.5
211.02534	3.5
219.03055	2.2
234.05443	3.1
249.07632	2.3
251.05656	1.9
271.04562	6.2
279.08759	5.3
291.91611	0.6
300.02771	0.8
313.05661	1.4
331.07010	0.9
333.26840	0.9
345.15494	0.6
400.53098	0.5
433.08188	1.0
453.17554	1.4
495.32065	0.7
496.17468	0.4
496.26645	0.7
497.16647	14.8
497.28094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63487	0.9
59.01373	3.8
61.98837	10.6
69.53529	2.6
69.53937	5.0
71.01379	4.9
72.99327	1.4
83.01425	1.6
85.02974	2.8
89.02456	1.8
95.01395	1.7
95.59174	1.1
96.96008	1.3
97.02950	2.0
101.02448	3.2
107.01403	3.8
109.02981	1.4
111.00904	2.0
113.02495	1.5
117.05572	3.7
119.05011	1.7
121.03007	2.2
123.00896	12.5
125.02461	18.2
137.02480	4.2
139.00372	4.9
139.04028	7.8
140.01181	3.2
151.00352	7.7
153.01999	1.7
161.02335	1.1
163.04068	1.2
165.01932	11.7
167.03479	1.0
168.00604	3.2
169.01440	25.9
183.03061	1.4
186.47209	1.1
189.02007	1.9
191.03481	4.3
203.03528	1.3
211.02504	5.4
218.10429	1.2
229.01245	1.5
231.02884	1.1
235.02539	2.1
245.01031	1.6
247.02390	1.2
249.04108	2.1
271.04565	10.0
275.01984	2.3
300.99869	3.5
313.05594	5.0
331.06689	3.1
345.08255	3.2
433.13513	100.0
434.14059	8.1
436.10095	1.3
460.65079	1.2
479.07877	1.4
495.98425	5.3
497.09439	3.5
497.13736	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	496.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54935	1.7
61.98826	14.9
62.80307	1.9
65.82796	1.8
70.39724	5.2
82.10672	1.9
83.29467	2.0
95.40669	1.9
97.93762	1.6
108.60202	1.6
110.13452	1.6
151.00371	4.2
163.00525	2.5
178.99896	3.4
243.03017	5.3
255.02933	19.0
271.02478	36.9
272.02972	4.9
300.02759	98.1
301.03400	18.9
302.03741	2.2
433.07761	100.0
434.08115	7.0
482.32547	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	495.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12896	0.9
57.03443	1.6
57.79621	0.9
59.01384	8.6
61.98825	3.0
69.77344	2.5
69.77760	2.8
71.05021	1.8
78.95892	1.3
85.02950	2.7
85.06593	1.9
87.00879	100.0
88.01237	1.4
97.02957	1.1
97.06580	3.1
99.04530	6.9
107.05047	1.5
119.23996	1.0
123.04520	1.7
123.08161	3.2
125.02419	3.0
125.06076	6.5
139.04004	1.4
152.99586	2.1
153.99506	1.0
155.13345	0.9
167.07143	3.1
200.06023	1.0
267.23288	2.2
363.32599	4.6
365.34061	2.8
381.33615	2.3
389.34402	5.7
407.35410	25.2
408.35626	2.4
409.33112	2.0
423.34705	2.9
433.33282	1.3
451.34280	34.2
452.34589	2.9
495.27151	3.5
495.33389	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	495.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
61.98822	1.2
69.03435	0.7
71.05022	0.8
71.60725	1.3
74.65318	0.9
78.95909	1.6
80.61018	0.8
85.06599	2.0
87.00880	100.0
88.01202	1.9
97.06592	1.8
99.04528	0.7
113.06103	1.9
123.08158	3.7
125.02444	3.3
125.06101	5.1
139.04025	1.1
152.99541	1.1
164.03290	0.8
167.07176	2.2
222.06108	0.7
245.04431	0.9
249.11598	0.8
267.23267	1.9
281.24930	0.8
283.26541	1.1
363.32611	3.8
365.34216	2.4
389.34256	5.5
407.35394	24.9
408.35895	3.7
417.05750	0.8
433.33466	0.9
447.92059	0.8
451.34317	26.1
452.34756	4.1
495.33459	12.1
496.33646	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	495.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30574	0.7
57.03474	1.0
59.01386	6.5
60.99329	0.8
61.94540	0.6
61.98843	1.3
69.03462	0.9
69.48132	1.3
69.48534	4.3
71.05019	1.1
75.62492	0.6
78.95908	0.8
81.07088	0.8
85.06599	3.0
87.00883	100.0
88.01222	1.4
88.98830	3.8
95.05045	1.2
97.06610	2.3
99.04545	0.7
109.06621	0.6
113.06136	1.0
116.92886	3.4
121.06668	0.6
123.08170	3.9
125.02458	3.9
125.06107	4.4
152.99542	0.8
167.07137	1.8
216.20398	0.6
242.79881	0.6
245.04323	1.5
267.23474	0.9
363.32721	4.3
364.32797	0.7
365.34317	3.3
389.34338	6.8
390.34586	1.0
407.35345	30.5
408.35797	4.1
409.33679	0.8
433.33224	1.4
451.34320	31.9
452.34628	5.3
495.27319	2.5
495.33334	11.2
496.33868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22288	0.6
55.01889	0.6
57.03440	2.2
59.01370	1.8
65.10638	0.6
69.03455	1.5
71.01370	0.5
71.05037	4.2
73.02941	1.3
78.51131	0.5
81.03456	0.7
83.05019	1.3
84.02152	0.8
85.02955	4.8
95.04988	0.8
97.02959	1.2
98.20728	1.1
99.04534	3.8
107.05040	1.1
108.02185	0.5
109.02974	5.5
111.04520	2.5
113.02446	1.2
123.04545	3.9
124.01668	0.7
125.02445	2.4
125.06079	1.6
127.04027	10.8
136.57249	0.5
137.02475	0.6
137.05989	0.5
138.03203	0.6
139.04042	1.0
150.03308	0.5
151.00377	0.6
151.04016	7.8
152.04800	1.9
153.01929	1.6
153.05595	3.8
163.03978	0.8
164.04770	1.0
165.05557	0.6
167.03493	3.1
169.05026	1.5
172.86397	0.6
177.01953	0.9
177.05544	0.6
178.02725	2.9
191.03522	0.8
191.07097	0.9
205.05092	3.0
219.10127	0.6
223.09631	0.8
223.16972	0.6
226.10669	0.5
237.11417	1.4
249.18619	0.8
261.11365	1.0
262.11993	1.1
263.12616	0.7
273.14999	1.3
273.18597	1.4
275.16418	0.9
289.18259	0.8
291.16208	0.7
316.16785	0.9
317.17575	2.5
403.21298	1.2
407.24448	0.8
433.25903	1.7
435.23846	3.1
439.23566	1.1
449.25674	1.0
451.27090	1.0
451.33710	0.6
477.24860	11.5
478.25305	1.4
495.26007	100.0
496.26428	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	495.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01382	1.6
61.98820	1.4
67.47436	0.6
69.03449	1.7
69.53267	1.4
69.53677	3.1
71.01388	0.7
71.05030	4.2
73.02966	0.8
77.01458	0.5
81.03461	0.6
83.01373	0.6
83.05032	2.0
83.37231	0.5
83.80058	0.6
85.02956	4.6
95.05011	1.6
97.02943	3.5
99.04529	3.9
102.05287	0.5
107.05022	0.9
109.02981	5.0
109.06605	0.6
111.04523	3.3
113.02458	1.3
122.03774	0.8
123.04538	3.7
125.02457	2.2
125.06113	1.3
127.04013	12.0
135.04460	0.5
149.06061	0.6
150.03287	0.7
151.04007	7.4
152.04778	1.7
153.01942	1.9
153.05553	3.5
154.02707	0.6
163.04033	0.6
163.63605	0.5
164.04715	1.4
167.03531	3.5
169.05029	0.9
177.05626	0.8
178.02733	4.9
179.03523	1.0
181.05064	1.0
191.03528	0.9
205.05034	2.5
206.05501	0.6
209.08124	0.9
234.12619	0.5
237.11284	1.3
261.11407	0.9
261.18533	0.7
273.15048	0.7
273.18546	1.0
275.16534	1.0
279.15784	0.6
289.18130	0.9
291.15988	0.9
315.97125	0.6
316.16751	0.9
317.17603	3.3
335.18683	0.5
345.17392	0.6
386.42868	0.6
403.21152	0.8
414.58414	0.6
432.21063	0.7
433.26318	1.0
435.23969	2.7
439.23370	2.4
449.25366	1.5
453.24820	1.0
477.24899	11.5
477.31757	0.7
478.25461	1.4
480.23535	1.0
495.26022	100.0
496.26382	13.1
520.30096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1513
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
53.23071	0.3
56.27117	0.3
59.01374	1.5
61.98832	1.0
63.22048	0.3
67.01904	0.6
68.26569	0.3
68.99802	0.5
69.03451	0.6
71.01385	2.8
71.60744	0.4
72.99290	0.5
73.02970	0.6
79.01894	0.6
81.03442	0.4
83.01396	0.8
85.02954	1.5
87.00876	0.9
89.02473	0.7
95.01367	1.5
96.96020	1.6
97.02971	0.9
99.00871	0.4
101.02454	1.5
107.01380	5.1
109.02940	0.9
110.00101	0.5
111.00883	3.5
113.02463	1.0
121.02896	0.4
123.00891	9.5
123.04524	1.0
124.01723	1.5
125.02451	29.0
126.02805	0.9
127.00380	1.1
133.02995	0.4
135.04524	0.9
136.05307	10.9
136.98811	2.0
137.02435	1.3
137.05649	0.4
139.00375	4.3
139.04054	0.7
140.01167	4.4
141.01938	1.4
141.33238	0.4
148.05345	0.5
149.06076	0.6
150.06859	2.9
151.00372	6.9
151.03963	0.5
151.07664	3.2
152.01096	0.6
153.01926	1.0
161.02504	0.6
162.06863	3.9
162.45793	0.3
163.04054	0.6
163.07648	3.1
165.01930	4.9
165.05521	0.9
166.06354	1.2
166.99922	0.4
167.03445	0.9
167.07187	0.3
168.00648	6.0
169.01427	37.7
170.01762	1.6
178.99876	0.4
179.03456	0.9
180.07919	8.8
181.05025	0.8
181.08710	5.0
183.02969	0.3
189.01958	0.7
191.03537	0.8
195.06578	0.3
197.04588	0.5
202.12520	0.4
211.02473	1.9
215.93430	0.4
217.01343	0.4
223.02571	0.4
241.03561	0.6
253.03403	0.7
271.04617	1.4
288.02798	0.7
297.06155	2.6
300.99808	0.5
313.05597	6.9
314.06055	0.6
315.01645	0.4
332.01602	0.4
333.06259	0.4
423.05786	0.4
432.15948	0.7
477.13919	0.6
495.15118	100.0
496.15469	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	495.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90801	0.7
59.01381	11.2
60.20939	0.9
70.77350	1.5
70.77683	1.5
71.01397	2.6
81.03471	0.8
85.02964	1.7
95.01406	1.4
95.05012	0.9
95.20061	0.8
97.02954	1.0
107.01380	6.1
109.02973	5.3
109.06609	3.8
111.00921	0.7
111.99677	0.9
113.02482	0.8
119.05014	5.6
121.02964	5.6
123.00879	4.8
125.02455	33.0
126.02834	1.2
135.04521	3.3
136.98912	1.2
137.06088	32.4
138.06419	1.0
139.00386	1.8
140.01184	1.2
151.00426	4.0
152.86510	0.8
163.04053	0.9
168.00679	1.2
169.01434	42.1
170.01773	2.0
181.05075	100.0
182.05414	4.6
211.02402	0.8
219.40161	0.8
253.03539	1.2
313.05652	23.0
314.06000	2.5
343.10349	20.4
344.10938	0.9
348.47049	0.7
495.11426	98.7
496.11801	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	495.1146
Annotation	tarocin A1
Peak:m/z	Relative Intensity
51.95205	1.3
54.71244	1.3
59.01390	3.4
71.01382	3.4
78.95676	1.5
90.47168	1.5
92.30409	1.3
93.03454	2.8
96.45980	1.6
97.02981	1.6
98.20633	5.2
101.02490	1.7
107.01413	7.7
113.02430	1.8
115.18478	1.3
119.05034	41.9
120.05383	2.2
121.02975	25.6
123.00891	13.0
125.02454	52.3
126.02814	1.6
137.02428	1.5
139.00391	4.7
140.01195	3.5
151.00385	7.2
163.04016	8.2
168.00684	4.7
169.01437	76.9
170.01743	3.4
193.79890	1.5
211.02501	2.6
229.96069	2.0
253.03651	2.3
313.05649	42.2
314.05911	3.4
390.40964	1.5
433.11337	8.4
435.09360	22.1
436.09427	2.9
477.10449	25.3
495.11520	100.0
496.11841	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	495.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03390	1.2
59.01290	7.4
59.01618	1.4
61.98734	2.2
65.00280	0.7
67.01836	1.4
67.30827	0.6
69.03392	1.4
69.05489	0.6
71.01295	7.8
71.01713	1.7
71.04938	4.9
71.60191	0.8
72.99244	1.8
73.02853	2.7
73.03218	0.7
79.01821	2.3
83.01382	3.6
83.04959	0.7
85.02876	3.2
87.00832	0.8
89.02438	5.6
91.01804	2.3
91.91502	0.8
93.03423	1.3
95.01316	2.5
95.04963	2.2
96.95998	6.5
97.02958	16.0
99.00824	2.2
101.02452	5.3
107.01396	8.4
108.02114	3.2
109.02891	1.8
111.00920	3.9
113.02377	2.7
117.05542	1.6
120.99628	1.2
121.02950	5.3
122.03767	5.4
123.00896	18.6
123.04539	7.9
124.01630	2.2
125.02454	34.2
126.02733	2.1
127.00296	2.4
131.03502	1.4
136.98781	1.4
137.02457	18.6
137.06023	1.1
138.02899	1.0
139.00401	6.7
139.04016	65.4
140.01198	5.2
140.04286	2.2
141.01944	2.2
145.02977	0.8
149.04503	2.0
151.00374	12.6
151.03979	1.4
152.01167	6.1
153.01942	1.2
153.05530	1.4
154.99603	0.8
161.02385	1.0
163.03966	1.1
165.01936	100.0
166.02274	4.2
167.03499	16.3
168.00607	5.2
169.01430	45.6
171.01888	1.2
177.01921	0.9
179.03448	0.8
181.05099	2.0
181.08719	30.0
181.35710	0.7
182.09071	1.5
183.02983	4.0
184.39807	0.9
203.03532	0.8
211.02422	4.3
212.02895	1.3
219.29651	0.7
227.12959	0.9
232.75983	0.8
241.03770	0.9
262.30057	0.8
271.04861	2.9
273.05487	0.9
301.00372	1.3
302.00787	0.8
310.89014	0.8
313.05646	12.7
314.06384	1.2
317.03522	3.6
332.05954	1.5
333.06665	1.1
345.08264	44.0
346.05402	0.8
346.09158	3.0
432.16724	1.8
451.12671	5.5
452.13852	1.1
495.04892	2.3
495.19839	59.3
496.20151	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	495.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83449	1.1
59.01392	7.9
61.60777	1.0
61.98833	1.2
63.96244	28.2
67.01900	1.3
69.54764	7.9
71.01385	8.5
71.76465	1.1
72.99310	1.8
73.02943	1.4
78.95936	1.1
78.98598	100.0
79.60105	0.9
83.01389	1.9
85.02953	4.8
87.00891	1.5
89.02455	3.8
93.00169	2.5
95.01385	2.0
96.96027	3.1
96.96965	1.9
97.03037	1.1
99.00900	1.7
101.02452	8.4
107.01389	4.7
109.02916	1.8
111.00890	3.0
113.02444	3.2
119.05043	5.6
121.02983	2.8
123.00896	7.2
123.18859	1.0
125.02466	18.8
133.91309	1.2
135.04535	2.7
137.02467	2.0
139.00363	3.5
140.01141	1.6
151.00368	4.3
161.02443	3.6
163.00671	9.9
163.04013	4.7
166.99846	1.2
168.00658	4.1
169.01450	24.1
173.02489	1.7
181.01782	13.5
189.01939	3.4
191.03476	4.6
205.01489	1.1
211.02528	5.5
217.01492	2.4
229.01401	1.2
233.01030	1.4
235.02406	2.0
245.00867	2.1
249.04088	1.6
257.00809	1.1
261.00363	5.1
271.04660	7.4
275.01974	3.0
299.99039	1.4
300.99924	7.2
302.00070	1.6
313.05630	6.0
343.07025	60.7
344.07333	3.2
363.03558	1.8
379.07047	1.5
415.08804	13.6
416.09195	1.5
423.05692	9.9
431.11908	4.9
433.13373	1.5
435.09222	2.7
477.10376	2.5
495.07632	66.1
496.08276	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	495.0782
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01360	1.7
61.98826	1.7
65.00318	1.8
71.01371	1.3
72.99273	0.8
80.75031	0.6
85.02924	0.8
87.04473	0.9
88.98803	5.0
89.02432	1.4
95.01376	1.6
101.02458	0.8
107.01381	0.8
109.02963	1.0
110.00100	12.4
111.00909	7.0
119.04993	1.1
121.03008	0.9
122.00106	1.0
123.00883	3.6
124.01625	0.8
125.02458	6.0
135.04506	1.2
136.98772	2.4
137.02385	2.2
137.99586	4.3
139.00391	19.2
140.00723	0.9
141.33397	0.7
141.99081	0.8
151.00293	2.1
161.02400	2.0
162.03229	0.7
163.00430	0.8
163.03952	2.1
164.01126	2.0
164.98210	1.1
165.01906	1.0
165.99083	15.9
166.99849	9.6
168.00374	0.7
169.01440	6.2
171.04413	0.9
173.02325	0.9
177.01938	1.0
178.99867	7.4
181.04990	2.2
185.02312	0.7
187.03954	1.6
189.01891	1.1
190.02588	1.3
191.03450	1.2
194.99324	5.5
199.04181	0.9
201.11406	1.0
202.02585	1.0
203.03371	1.3
205.01398	1.7
206.99300	0.9
211.02464	1.5
214.02682	1.8
215.03453	1.8
217.01308	1.7
218.01868	0.9
219.02966	1.3
220.03734	1.1
229.01305	1.7
229.65302	0.9
230.02055	2.4
231.02892	1.6
242.02216	1.7
243.02899	3.4
247.02431	1.1
258.01682	6.1
259.02383	5.0
260.03030	1.5
271.02197	1.5
275.01904	1.6
286.01205	9.8
287.01971	25.0
288.02484	1.7
300.99838	1.8
303.01407	11.8
304.01938	1.7
313.05542	1.1
324.49606	0.9
331.00894	1.1
332.01749	94.6
333.02350	20.2
334.03024	1.1
343.10107	1.0
378.52481	0.8
423.05161	1.3
494.17670	1.0
495.07623	100.0
496.08005	10.8
508.25894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
66.01114	1.6
70.24476	3.6
70.24866	4.1
71.01375	6.6
85.02946	1.8
101.02444	4.6
105.03503	2.9
117.03535	2.9
119.05023	5.2
121.02986	1.6
125.02460	2.7
133.02983	4.7
135.04523	7.8
145.02974	7.5
147.04500	6.0
161.02473	17.3
163.00386	3.2
163.04031	24.3
165.05605	3.3
165.81569	1.6
169.01300	2.6
173.02432	5.4
174.03040	1.6
175.04021	2.1
177.01868	2.7
189.01924	19.8
190.02663	8.0
191.03503	59.9
192.03784	3.9
203.03354	3.1
207.02943	3.0
209.04536	3.3
215.03545	2.0
216.00574	1.6
217.01378	12.0
217.05133	3.4
219.02985	2.7
224.97781	2.0
231.02881	5.4
234.01784	1.9
235.02461	27.6
259.02426	2.8
261.00412	36.0
277.03485	4.2
289.03409	2.0
300.99744	2.0
303.01459	5.8
307.04626	2.4
312.78979	1.7
319.04544	11.3
363.03619	17.6
379.06726	18.9
380.06750	1.9
423.05704	100.0
424.06033	8.8
495.04492	1.7
495.11749	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	495.042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
69.67387	6.5
71.01405	6.7
73.02965	1.7
85.02959	1.9
93.03423	1.1
101.02450	2.9
105.03475	2.3
113.02425	1.5
117.03478	2.5
119.05035	4.3
123.04446	1.1
125.02473	2.9
129.03571	1.1
133.02957	5.8
135.04526	7.5
145.02962	7.7
147.04532	7.3
149.02409	1.8
159.04544	1.6
161.02454	14.5
163.00327	3.8
163.04028	23.4
164.01091	1.5
165.01944	1.5
165.05505	3.8
166.99818	1.2
169.01447	1.8
173.02403	3.8
175.04015	1.7
177.01872	1.6
178.99721	1.3
189.01938	20.5
190.02716	10.2
191.03506	72.0
192.03816	3.5
203.03514	2.6
205.04871	1.3
207.02979	3.4
209.04517	4.8
215.03461	2.0
217.01387	12.0
217.05084	3.0
219.02913	2.1
219.06548	1.6
229.01630	1.1
231.02971	4.0
233.00926	2.3
233.04443	1.6
234.01662	2.8
235.02473	36.3
236.02887	2.2
245.04462	2.2
245.50099	1.0
259.02451	4.0
261.00412	37.9
262.00809	2.3
263.02011	1.5
271.04608	1.1
277.03479	3.8
289.03534	3.1
301.00046	1.2
307.04544	3.0
319.04593	7.8
320.05273	1.3
335.04071	2.3
363.03583	14.0
373.07675	1.6
379.06720	17.0
423.05688	100.0
424.06091	9.8
495.13400	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	495.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
69.36675	1.2
69.63586	4.4
69.64010	3.0
71.01375	4.6
81.99222	1.4
85.02962	2.1
101.02452	3.4
105.03471	2.8
109.02962	3.5
117.03438	3.4
118.21893	1.2
119.05045	3.3
122.03790	1.4
133.02995	7.7
135.04539	6.0
137.02466	2.8
145.02988	6.3
147.04532	7.2
148.01620	1.4
149.02486	1.8
161.02469	13.5
163.00336	2.4
163.04027	19.4
164.01155	1.5
165.01927	3.2
165.05513	2.5
169.01434	1.7
173.02458	4.3
175.04008	2.4
176.01175	2.6
189.01935	22.0
190.02730	6.7
190.99883	2.3
191.03499	55.2
192.03844	3.4
193.05162	1.5
201.01892	1.5
203.03522	2.6
205.01402	1.6
207.02988	2.7
209.04559	2.1
214.99954	1.6
215.03590	1.5
216.00732	1.6
217.01442	12.9
217.05095	1.7
219.03000	2.0
221.47470	1.3
231.02985	4.1
233.00813	1.7
234.01625	1.4
235.02475	24.2
245.00932	1.9
259.02515	3.1
261.00397	36.0
262.00876	2.1
263.01990	1.2
275.01801	1.5
277.03412	2.6
289.03476	1.7
301.00256	1.5
303.01501	14.3
307.04745	1.8
319.04416	6.3
333.02609	1.7
335.03934	1.5
361.06155	1.5
363.03613	20.3
364.03793	1.9
379.06805	14.3
391.03174	2.7
398.75189	1.2
405.04819	1.3
423.05710	100.0
424.05988	8.9
451.05219	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	494.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72997	0.6
61.98835	100.0
79.46854	0.7
98.19861	2.5
118.98317	0.7
132.20187	0.7
140.46997	1.0
142.82526	0.8
154.85722	0.6
160.84225	30.1
173.64262	0.7
189.18513	0.7
211.68544	0.9
233.92705	0.9
338.13803	0.9
431.28241	1.5
494.39435	1.8
495.32288	1.0
517.04938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19456	5.7
56.32287	6.2
57.03428	7.0
61.05312	7.4
61.98838	85.7
71.60149	6.7
71.60619	10.2
75.22671	5.8
75.85857	5.8
79.95677	8.2
80.53860	5.8
83.01387	11.8
84.77071	7.1
84.89513	6.2
91.20237	6.4
102.60376	6.7
125.02448	100.0
146.52371	6.7
362.90201	7.8
431.27695	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	494.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.0
59.01388	2.2
61.81601	1.6
61.98835	100.0
69.03468	2.7
74.41261	1.9
76.96886	1.8
81.03467	8.0
83.05006	2.4
84.75949	1.9
85.02974	3.6
88.34622	1.9
88.98829	2.2
96.98679	1.7
97.02960	2.4
97.41670	1.7
99.04523	2.1
100.11397	1.8
111.04505	3.8
112.31937	1.7
116.87598	1.6
123.04479	1.7
125.02460	58.3
126.02808	2.6
139.04004	2.1
151.07535	2.2
153.05585	5.8
154.68364	1.5
161.80571	1.9
179.07118	3.6
187.52766	1.7
197.11816	3.0
247.17249	1.9
319.15591	17.5
320.15915	2.8
387.18231	2.5
395.18613	4.8
413.19708	23.1
414.19348	1.9
431.20740	51.5
432.21027	6.4
434.22607	4.3
476.23679	2.4
487.95215	2.3
494.28763	2.4
495.26129	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	494.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25417	1.2
61.98834	100.0
71.05033	1.4
71.37298	1.5
71.37629	1.4
89.30007	1.0
95.05019	2.2
102.99700	1.0
108.94492	1.1
113.21320	1.1
118.15127	1.1
139.04012	11.9
165.64902	1.3
166.02620	1.5
189.01186	1.1
201.02655	1.2
212.87833	1.1
224.97093	1.2
234.49640	1.1
278.95209	1.9
340.70923	1.3
413.23093	1.9
431.24393	60.7
432.24701	7.7
442.43298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03886	0.8
50.65820	0.7
51.47235	0.7
61.86401	0.7
61.98839	100.0
70.08289	2.0
70.08705	1.4
71.05028	1.3
73.02956	0.9
78.62612	0.7
80.43980	0.8
81.03442	0.9
89.99940	0.8
95.05037	2.3
97.62524	0.9
125.02462	1.7
139.04037	15.0
166.02753	1.4
203.75443	0.7
306.40991	1.0
413.23505	1.9
431.24405	60.0
432.24844	9.3
460.54907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98526	5.0
61.98836	100.0
70.93615	5.4
70.93936	5.8
78.39203	3.0
85.06145	3.2
105.27722	3.4
107.77937	3.2
111.07568	3.3
118.45919	3.4
153.05580	4.3
203.65283	3.4
217.67996	3.4
245.45058	3.3
289.29367	3.5
408.50912	3.3
417.76642	4.3
431.28046	26.4
450.33594	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	494.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83543	1.5
59.01385	9.7
61.98832	29.8
69.55922	3.4
69.56329	9.0
71.01387	11.1
73.02950	2.9
74.99104	2.2
83.01388	1.9
85.02999	1.9
89.02439	4.5
95.01431	2.4
96.96014	4.4
99.04511	3.1
101.02462	5.8
101.45406	2.0
107.01408	5.7
111.00891	4.3
112.75612	2.0
113.02471	4.4
117.05587	13.3
119.03535	2.5
121.83441	2.1
123.00900	8.2
124.01729	2.0
125.02463	26.0
135.04533	4.1
139.00333	2.6
140.01155	2.7
145.02997	3.6
151.00363	5.8
151.03983	2.6
153.01877	2.7
161.02489	3.0
163.03964	2.5
168.00620	9.4
169.01448	41.1
170.01715	2.1
172.46620	2.3
200.97017	1.8
211.02524	27.1
245.00798	2.9
261.00418	2.0
271.04605	46.1
271.10898	5.1
271.99469	2.2
272.05005	3.2
273.00391	2.8
274.00793	3.7
275.01889	2.9
279.10828	18.8
280.11136	2.0
297.03699	2.9
299.99084	2.2
300.99722	5.2
302.85959	1.9
313.05594	9.4
316.99326	4.0
317.99600	5.9
331.00992	2.2
331.06558	4.9
343.10226	3.1
402.60556	1.8
431.11899	100.0
432.12271	9.8
459.15289	4.1
494.01065	2.9
494.07748	6.4
495.11887	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	494.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46560	2.1
59.01382	8.7
61.98840	24.8
71.01385	10.8
85.02921	3.8
89.02455	3.6
95.01417	3.5
98.20657	5.2
101.02455	4.4
101.67664	2.6
107.01411	8.7
109.02959	2.2
111.00860	3.3
113.02482	3.1
117.05561	2.9
123.00867	8.4
125.02461	63.2
126.02786	3.6
135.04538	15.2
136.04848	9.4
137.06097	4.4
139.00369	5.8
145.02853	2.6
146.45946	2.5
151.00349	8.8
153.01976	4.2
156.63084	2.4
168.00618	6.7
169.01436	100.0
170.01747	8.6
179.03516	3.1
181.05058	7.8
211.02454	9.2
241.03458	4.4
271.04620	16.8
286.00821	2.6
313.05667	58.7
314.05893	5.9
315.01349	3.1
359.05853	3.9
425.40448	2.4
430.26141	2.3
431.11856	81.8
432.12347	6.2
450.11206	6.8
451.12549	3.7
477.02829	5.3
485.87067	2.3
494.10339	6.4
495.11292	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	493.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37424	0.9
57.03452	1.6
59.01383	4.0
61.98824	1.3
62.74298	1.0
69.03464	1.5
69.83070	3.8
87.00884	100.0
88.01220	1.0
93.36031	0.8
97.06589	3.1
99.04532	3.8
99.08144	1.6
122.07350	1.1
123.04568	0.9
123.08178	2.8
125.02470	3.3
125.06078	5.2
133.13779	0.8
136.82129	0.8
138.89189	0.8
167.07123	2.5
193.70213	0.9
204.16592	0.8
281.24838	1.8
302.22791	1.0
333.31628	1.3
361.31119	12.7
362.31476	1.8
363.32654	3.4
377.34464	1.8
379.32339	1.8
387.32822	7.3
388.32928	1.3
405.33746	50.6
406.34314	7.0
406.39081	1.4
421.33286	1.9
449.32739	45.0
450.33185	7.9
493.31021	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	493.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
58.88126	1.0
59.01372	3.5
61.98838	1.5
69.41879	9.7
70.53333	1.0
71.05019	1.2
85.02957	3.0
87.00884	100.0
94.27473	1.2
97.06596	4.2
99.04510	4.2
99.08233	1.2
99.15282	1.0
123.08152	3.2
125.02450	4.9
125.06072	5.0
167.07088	1.5
169.54039	1.2
276.26147	1.1
281.24829	2.4
361.31058	14.8
362.31473	3.0
363.32645	4.6
378.20990	1.2
379.32095	2.5
387.32513	9.1
388.32727	1.6
405.33765	55.2
406.34116	7.6
421.33228	2.5
449.32724	46.4
450.33099	6.0
493.31241	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	494.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
61.25053	1.4
61.98830	15.7
65.00293	1.2
69.67095	6.5
71.01387	5.9
71.05019	1.8
78.95856	1.0
79.01875	1.2
83.01415	1.2
84.86681	0.9
85.02950	1.9
89.06763	1.1
95.01402	1.0
97.02947	1.0
98.19739	1.1
101.02413	1.4
103.70333	1.0
107.01371	6.7
109.02921	1.8
111.00866	3.6
113.02442	1.8
117.03402	1.1
117.05566	4.6
123.00880	8.3
123.06409	1.0
125.02446	54.4
126.02787	1.5
135.04556	5.5
136.04839	1.9
136.98787	1.5
139.00381	5.8
139.03970	1.3
140.01166	2.0
141.01952	1.1
144.65208	1.1
150.03368	1.0
151.00397	7.4
153.01974	2.5
166.02634	1.1
167.03427	1.6
168.00612	4.7
169.01427	100.0
170.01802	3.0
178.99887	3.5
179.03496	2.7
181.05084	1.7
183.22690	1.0
193.01479	1.1
194.99232	1.4
201.01880	1.3
207.02841	1.3
211.02498	10.0
227.03178	1.0
241.03403	6.2
242.03879	1.2
253.03508	1.3
271.02155	1.7
271.04608	18.6
287.01880	2.4
300.99997	4.1
313.05621	63.6
314.00583	1.9
314.06003	5.8
315.01367	4.9
348.29761	1.1
355.06650	2.8
359.06396	1.2
371.09702	3.1
403.45792	1.1
431.11917	93.3
432.12323	10.0
450.11435	2.6
451.12265	1.4
477.02753	1.5
495.11218	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	493.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38831	0.7
57.03460	4.3
58.47713	0.6
59.01375	2.5
61.98841	5.6
67.01871	0.9
69.03458	4.0
70.16680	2.9
71.01381	1.8
71.05032	1.3
73.02946	1.7
79.01892	1.6
81.03469	3.4
83.01337	0.8
83.04992	1.0
85.02953	9.3
85.06606	1.5
87.00895	0.8
88.98809	2.9
93.03417	0.7
95.05045	3.5
97.02959	5.5
97.06597	0.8
99.04513	1.5
99.08169	7.0
100.17746	0.7
109.02950	0.9
109.06588	0.9
111.04517	1.4
122.03734	1.0
123.04553	3.9
123.08156	8.1
124.84110	0.7
125.02454	11.5
127.04002	1.2
135.04504	0.8
136.05284	1.0
137.02477	0.8
138.03238	1.5
139.04063	3.6
141.05562	0.9
149.06036	1.7
151.00351	1.1
151.03995	2.3
152.01157	0.8
152.04762	2.6
153.05576	4.2
165.01825	0.7
165.05563	1.0
166.02740	1.4
167.03424	2.9
167.07140	71.5
168.07443	2.8
179.03525	5.4
179.07112	1.1
180.04132	0.9
193.05052	5.5
194.05835	6.6
199.88307	0.7
207.06624	1.7
208.07408	4.0
221.08218	7.2
222.08728	1.3
226.04814	1.6
235.09726	3.3
247.16992	2.3
249.11249	1.1
263.12851	3.1
277.14413	3.1
278.15219	1.0
289.18054	2.1
289.21698	2.5
291.16098	1.1
292.71823	0.8
317.17633	1.5
333.20590	2.5
365.36542	0.7
393.22934	1.1
405.22885	1.1
431.19785	1.0
431.24875	1.5
433.22256	8.5
451.23834	0.9
475.23044	3.3
476.23764	0.8
493.28448	100.0
494.28760	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	493.2451
Annotation	Tricalysioside C
Peak:m/z	Relative Intensity
55.01870	1.0
57.03449	2.9
58.00588	1.2
59.01104	0.9
59.01382	14.4
61.98838	6.8
65.14127	0.6
67.01884	0.6
68.99813	1.0
69.03448	1.1
71.01389	14.6
72.99303	1.5
73.02946	4.9
75.00893	1.0
79.01904	0.5
79.95740	0.7
81.03475	0.8
83.01389	4.1
83.05058	0.6
85.02956	9.3
87.00379	0.5
87.00879	2.6
89.02449	6.7
93.03468	22.2
95.01377	3.0
95.05051	0.9
95.95229	1.0
96.96007	3.0
97.02949	1.7
99.00888	1.2
101.02455	11.8
102.02789	0.8
107.01368	1.7
108.02163	0.9
111.00861	1.7
113.02457	5.2
117.03468	0.6
117.05572	2.0
119.03482	1.7
121.02935	2.0
123.00906	3.0
123.04505	2.6
124.01667	1.7
125.02456	29.0
135.04550	0.9
135.06604	0.8
136.01628	2.0
137.02452	57.6
138.02780	1.7
139.03999	0.8
140.01170	0.7
141.01881	0.6
145.02957	1.2
149.02444	0.7
149.04482	0.7
151.00366	1.6
152.56021	0.6
153.05521	1.9
161.02483	1.0
161.04520	2.1
161.09721	0.8
163.03978	1.1
164.04832	0.9
165.01877	0.9
165.05481	0.6
167.03566	0.8
168.00589	1.7
169.01433	8.5
169.05072	0.7
169.12349	0.7
170.01758	0.7
177.05502	0.8
179.03488	0.8
179.05589	1.2
179.06985	1.4
179.10722	1.0
183.13826	2.5
191.03450	0.8
195.13916	2.7
211.02481	4.9
213.14961	25.1
213.17004	1.4
214.15248	1.3
221.04491	1.4
229.18184	0.8
241.03267	0.6
271.04584	5.0
271.19000	0.9
297.11871	2.2
300.99619	0.7
313.05612	1.1
331.06580	1.3
331.12112	1.1
331.24887	1.1
361.22256	2.0
418.17776	1.4
430.17392	0.8
462.16681	1.6
475.22321	0.7
493.17126	10.5
493.24307	100.0
494.17661	1.8
494.24707	14.7
503.31500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2811
Annotation	Herkesterone
Peak:m/z	Relative Intensity
55.01866	0.6
55.32347	0.6
56.35221	0.6
56.54079	0.5
57.03438	3.6
59.01373	3.7
61.98839	3.8
69.03471	2.8
70.75814	1.1
70.76187	1.6
71.01390	1.1
71.05034	1.7
72.07836	0.6
73.02969	1.9
73.19485	0.6
79.01910	1.7
81.03481	2.2
83.05055	1.8
85.02957	13.2
85.06613	1.8
88.98821	1.6
95.05051	2.8
97.02966	3.3
97.06618	1.5
99.04562	2.1
99.08172	6.2
107.05070	1.0
109.02973	1.9
109.06590	1.5
111.04571	2.1
113.06132	1.1
121.02933	0.8
123.04536	6.3
123.08178	6.8
124.01717	1.1
125.02452	8.6
125.06107	1.5
125.09791	0.8
127.04095	1.6
137.06096	1.6
138.03282	1.2
139.04010	3.3
141.05627	1.2
149.06059	1.3
151.04062	2.5
152.01216	0.8
152.04831	2.6
153.05585	6.9
165.01915	1.1
165.05623	1.4
166.02742	1.1
166.06401	1.4
167.03450	3.2
167.07146	72.7
168.07532	4.2
177.02036	0.7
179.03494	7.8
179.07140	1.4
180.04286	0.9
191.10722	0.8
193.05052	7.3
193.22301	0.6
194.05852	8.8
195.06293	0.8
207.06715	1.8
208.07463	5.7
211.13524	0.8
219.13962	0.7
219.17488	0.9
221.08192	9.1
222.08847	0.9
226.04906	2.4
233.15536	1.0
235.09703	3.1
240.06496	0.7
247.17151	1.7
249.11377	1.0
263.12936	3.5
264.13239	0.8
275.53650	0.6
277.14566	2.6
278.15210	1.7
289.15027	0.6
289.18188	2.4
289.21869	3.0
291.16260	1.0
303.16037	0.8
307.15344	0.7
317.17535	1.5
317.20990	0.7
331.19385	0.9
333.20877	2.6
345.21078	0.6
431.24561	2.6
433.22217	8.6
434.22864	1.3
447.23941	1.1
449.25043	0.7
475.22992	4.6
476.23969	0.8
493.28381	100.0
494.28595	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	493.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.7
59.18563	1.3
60.99310	13.6
61.98837	1.4
69.58688	1.1
70.14333	5.2
80.80219	1.3
88.98811	100.0
94.58516	1.1
105.91777	1.2
112.88261	1.2
122.05643	1.1
125.02435	2.1
135.04532	1.3
173.12320	1.1
228.70419	1.4
366.10245	1.3
403.24939	9.0
404.25311	2.4
480.78064	1.3
493.38754	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	493.2447
Annotation	Scutalsin
Peak:m/z	Relative Intensity
57.03440	16.6
59.01370	11.8
61.98834	24.9
66.39643	3.6
67.01897	8.7
69.03463	39.1
69.67148	18.9
69.67552	8.6
70.22316	3.9
71.01387	4.4
71.05015	11.0
73.02928	6.0
79.01891	10.5
81.03456	16.9
83.01363	5.0
83.05016	8.2
84.02168	4.8
85.02959	90.2
87.00870	9.3
88.98811	15.7
95.01402	6.8
95.05020	26.7
97.02956	56.5
98.20599	8.6
99.04510	17.4
99.08119	5.1
108.02184	9.1
109.02926	8.9
111.04548	6.8
123.00866	4.2
123.04531	55.0
123.08154	6.4
124.01630	8.4
124.05365	4.6
125.02468	70.0
127.04018	7.7
138.03300	18.8
139.03999	12.4
141.05579	8.5
149.06061	3.9
151.00336	13.1
151.04007	14.0
152.01152	12.9
153.05539	11.0
163.03929	4.3
165.05640	5.0
166.02640	9.3
167.03474	13.4
167.07115	33.4
177.05670	4.8
179.03456	16.0
179.07088	7.8
190.68347	3.8
193.05028	8.1
207.13948	4.2
211.13431	6.3
219.17476	8.5
221.08098	7.5
235.09573	6.1
247.17023	26.8
261.18619	8.4
289.14819	6.4
289.18085	38.1
290.18314	5.3
291.15997	7.8
357.20834	4.2
393.22928	8.4
405.22595	6.7
419.20810	4.8
431.25018	26.9
432.24509	4.9
433.22354	100.0
434.22522	13.5
447.23929	17.9
449.25342	6.9
475.23306	44.1
476.23895	12.2
493.24326	33.3
493.28384	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06378	0.3
55.01884	0.4
59.01092	0.6
59.01377	7.1
61.98828	1.1
62.37666	0.3
64.07118	0.3
65.00315	0.5
67.01894	0.6
69.03450	0.7
69.35178	2.1
69.35589	0.5
71.01391	4.6
72.99310	0.7
73.02966	0.5
77.18896	0.3
77.25716	0.3
79.01890	0.6
81.03461	0.4
83.01393	0.9
85.02936	1.6
87.00888	0.4
89.02460	1.8
93.03436	0.7
95.01405	1.1
97.02983	0.3
98.20620	0.6
99.00851	0.3
101.02470	2.1
107.01398	5.7
109.02932	0.4
110.00114	0.3
111.00896	2.4
113.02475	1.5
116.39079	0.3
119.03494	0.6
123.00891	7.5
124.01615	2.5
125.02454	33.6
126.02769	1.0
127.00362	1.1
136.98830	1.8
137.02443	1.7
139.00392	3.6
139.04019	0.8
140.01138	4.1
141.01927	0.4
149.02396	0.5
151.00397	3.2
155.00018	0.3
161.02373	0.8
161.09651	0.4
165.01912	0.9
165.05573	0.8
167.03534	1.2
168.00653	13.1
169.01428	40.3
170.01747	1.5
179.10789	1.3
183.02994	0.6
193.79616	0.3
203.80270	0.3
211.02483	60.5
212.02806	2.5
213.14970	1.0
241.03520	1.6
271.04596	100.0
272.04956	6.3
281.28522	0.3
313.05588	2.1
331.06711	12.7
332.07169	1.1
365.79019	0.3
493.17239	39.7
493.24283	2.8
494.17557	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	493.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03444	0.6
59.01093	0.8
59.01385	12.4
61.98832	3.4
63.04305	0.4
65.18713	0.5
67.01900	1.4
69.03461	0.6
71.01391	8.1
72.99315	1.6
73.02953	0.8
75.00850	0.8
79.01450	0.5
79.01900	1.3
81.03461	0.6
83.01395	1.1
84.70385	0.6
85.02949	2.9
87.00890	1.3
89.02464	4.1
95.01398	2.9
97.02946	0.9
99.00874	0.7
99.67661	0.6
101.02467	5.0
107.01405	6.2
111.00886	3.8
113.02451	3.0
117.05584	0.9
119.03512	1.6
120.99674	0.9
123.00895	14.0
123.04523	1.9
124.01684	2.1
125.02458	30.0
126.02812	1.0
127.00360	1.8
133.02908	0.5
135.04393	0.6
136.98770	2.8
137.02483	1.0
139.00375	6.3
140.01173	5.5
141.01958	1.8
151.00389	7.6
151.03941	0.6
153.01822	0.6
153.05542	1.9
154.05943	0.5
154.99876	0.7
155.06081	0.5
160.01778	0.5
161.02422	0.9
161.04575	1.0
163.04001	0.6
164.04800	0.9
167.03482	1.5
168.00650	11.7
169.01437	39.9
170.01775	1.7
175.04008	1.0
179.03488	0.6
179.05609	0.6
179.07175	0.7
179.10765	0.6
181.05229	0.6
198.17664	0.5
211.02486	34.9
212.02821	2.0
214.34274	0.5
241.03563	1.4
271.04608	50.0
272.04947	3.1
297.06161	2.0
313.05707	2.1
331.06778	2.0
331.11972	0.8
331.24878	1.0
338.09863	0.6
339.09869	1.0
365.18762	0.5
493.17227	100.0
494.11087	0.7
494.17642	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03448	0.7
59.01096	0.7
59.01380	13.6
61.98832	4.3
65.00317	0.6
67.01878	0.8
69.03464	0.6
69.57046	3.5
71.01387	8.6
72.99305	1.6
73.02940	1.3
75.00876	2.2
79.01892	0.7
83.01395	1.5
85.02949	3.8
87.00883	0.9
89.02449	6.5
95.01374	2.4
96.96008	0.6
96.99303	0.5
97.02967	1.0
98.19952	1.0
99.00907	0.7
101.02445	4.8
107.01389	6.1
109.02901	0.5
111.00883	4.6
113.02451	3.1
117.01691	0.5
119.03503	2.1
123.00890	11.3
124.01644	1.8
124.18369	0.4
125.02455	28.5
126.02744	0.7
127.00344	1.3
129.01888	1.1
136.98805	2.6
139.00378	7.0
139.11273	1.1
140.01163	5.6
141.01935	1.4
143.03400	0.6
144.37944	0.5
145.02931	0.6
151.00374	8.3
161.04572	1.2
167.03490	0.9
168.00652	7.7
169.01428	37.5
170.01761	1.3
177.04047	8.6
179.05577	1.1
181.56221	0.5
183.10265	2.8
200.62183	0.5
206.33890	0.5
211.02475	9.7
212.58501	0.5
241.03476	0.6
271.04617	6.6
280.50101	0.7
297.06146	2.2
305.69482	0.5
313.05673	1.1
316.02493	0.6
317.03015	1.4
329.05206	2.0
331.07065	0.5
384.62503	0.6
431.15619	6.6
431.28140	0.5
433.24268	2.3
434.24954	0.7
493.17145	100.0
493.22937	4.0
494.17511	13.4
494.24069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34653	0.4
55.01873	0.4
57.03448	0.6
57.13110	0.4
58.00581	0.4
59.01384	6.8
61.98821	0.8
65.00317	0.9
67.01879	1.2
68.99818	0.7
69.03440	0.7
71.01389	4.2
72.99301	1.6
73.02937	0.6
75.00875	1.0
79.01904	1.0
79.17936	0.4
83.01376	0.7
85.02946	1.8
87.00895	1.2
88.98812	2.6
89.02457	1.9
95.01376	1.9
96.96000	1.4
97.02961	0.9
101.02439	2.1
107.01402	5.8
110.00077	0.5
111.00871	2.9
113.02450	1.2
123.00890	12.6
123.04549	0.7
124.01688	1.6
125.02449	28.5
126.02744	0.9
127.00362	1.4
134.06172	0.4
135.04524	3.9
136.98819	2.7
137.02460	0.5
139.00375	6.0
139.04001	0.6
140.01166	5.4
141.01941	1.7
145.02910	0.6
147.04530	0.6
148.74352	0.4
149.99567	0.8
151.00374	7.5
151.03999	0.5
164.01126	0.7
164.98227	0.6
167.03499	1.6
168.00658	9.5
169.01430	38.4
169.05089	1.1
170.01747	1.7
173.02478	0.5
174.03185	0.9
176.25836	0.4
177.01930	0.5
177.04018	1.9
178.99890	0.8
179.03514	4.2
186.03212	0.9
188.01134	1.1
190.02788	3.4
191.03406	0.6
193.01485	0.4
202.02657	0.4
203.03465	1.2
205.01357	0.5
211.02481	36.3
212.02820	1.6
213.01917	0.5
217.01509	0.5
218.02208	4.2
219.02876	1.2
229.01442	1.4
230.02243	1.0
231.02885	0.9
241.03630	0.9
245.00890	1.5
246.01724	3.3
247.02351	0.8
257.01038	0.9
258.01523	0.7
259.02490	0.8
271.04590	35.0
272.04764	1.9
273.00626	0.9
274.01233	2.2
275.01987	1.4
280.59274	0.4
285.00409	0.5
300.99844	1.8
302.00604	1.4
303.01523	2.1
312.99814	0.5
313.05655	1.7
316.99350	1.1
329.05319	0.8
330.00174	10.1
330.96918	0.5
331.00894	10.2
331.06805	1.4
332.01248	0.8
369.02786	0.4
369.86252	0.4
403.12628	1.8
430.10382	0.8
431.11996	1.4
493.06836	6.1
493.17139	100.0
494.06653	0.9
494.17456	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	493.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11046	0.4
57.23817	0.4
59.01384	7.1
59.61285	0.4
61.98825	1.1
67.01888	1.2
69.67221	2.5
71.01385	6.1
72.99310	1.3
73.02943	0.8
75.00868	1.4
79.01891	1.4
81.03438	0.6
83.01370	1.0
85.02940	1.9
87.00893	0.5
89.02457	2.3
95.01393	1.7
96.95998	0.8
97.02953	1.0
99.00859	0.8
101.02437	2.9
107.01390	6.2
109.03059	0.5
110.00078	0.6
111.00880	3.5
113.02452	1.6
123.00889	13.1
124.01682	2.4
125.02449	27.4
126.02758	0.8
127.00365	1.1
133.02942	1.3
135.04535	13.0
136.04881	0.6
136.98807	2.4
137.02397	0.6
139.00372	4.8
139.03984	0.7
140.01154	5.1
141.01903	1.5
143.03537	0.5
149.02397	1.3
150.03223	2.7
151.00383	7.5
153.01970	0.7
161.02432	6.3
161.04482	0.8
163.03935	0.5
164.04755	0.6
165.01959	0.5
165.05504	2.6
166.02710	0.7
167.03458	1.2
167.99194	0.5
168.00633	9.2
169.01430	42.5
170.01744	1.9
173.65765	0.5
175.04030	0.9
177.04124	3.0
178.06372	0.7
179.03482	1.4
181.04987	1.0
190.06395	0.5
193.01396	0.5
195.06613	1.5
201.87144	0.5
211.02486	30.0
212.02783	1.4
241.03479	1.1
249.07599	0.7
267.08731	0.5
271.04593	31.4
272.04913	1.8
296.74240	0.5
301.99597	0.6
313.05667	3.2
329.04999	1.3
331.06647	0.7
341.08881	0.6
396.45007	0.5
413.14258	2.5
415.14005	0.7
431.15558	4.8
449.10941	8.2
450.10962	1.1
493.10681	5.0
493.17148	100.0
494.17526	14.8
494.22958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10207	0.4
58.77927	0.4
59.01381	6.6
67.01888	1.2
69.03484	0.4
69.28421	3.9
69.28739	0.5
71.01385	4.4
72.99305	0.8
73.02955	0.6
75.00866	0.6
75.56561	0.4
79.01884	0.9
81.03450	0.4
83.01384	0.7
85.02956	1.5
87.00866	0.5
89.02441	1.7
95.01379	1.8
96.96008	1.1
97.02979	0.8
98.20605	0.7
101.02433	2.4
107.01392	5.2
110.00127	0.4
111.00896	3.4
113.02450	1.2
117.05594	0.5
120.99623	0.5
123.00885	11.2
124.01647	1.5
125.02456	22.3
126.02768	0.8
127.00377	0.8
133.02972	0.4
135.04440	0.5
136.98839	2.2
137.02422	0.5
138.99632	0.4
139.00406	4.3
139.04021	0.5
140.01181	4.0
141.01917	1.2
149.02382	0.6
150.03246	1.0
151.00381	6.7
151.03978	0.8
161.02422	1.4
161.04549	0.7
165.01968	0.8
165.05568	0.8
167.03497	0.7
168.00658	8.4
169.01431	34.7
170.01752	1.5
177.04019	1.3
179.03485	1.0
186.93312	0.5
195.06529	0.5
211.02483	28.3
212.02786	0.8
236.53600	0.5
241.03542	0.9
271.04596	26.0
272.04926	1.5
299.99026	1.8
300.99442	1.5
301.99622	2.7
313.05768	0.7
315.01471	1.8
316.01865	1.4
317.01974	3.1
329.89044	0.5
413.14417	0.5
431.15347	0.5
493.17172	100.0
494.17542	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77501	0.5
51.79673	0.6
55.01877	0.5
59.01377	6.8
60.99298	1.5
61.98835	0.5
67.01884	1.0
68.99804	0.8
69.03429	0.5
71.01389	4.8
72.99310	0.8
73.02951	0.7
75.00910	0.5
75.04992	0.5
79.01887	1.1
80.10071	0.6
83.01389	1.2
85.02960	1.3
87.00876	0.9
87.24140	0.5
88.98813	11.9
89.02449	1.8
92.32595	0.4
95.01392	1.9
96.96017	2.0
96.96954	0.5
97.02960	0.8
100.92147	0.4
101.02447	2.5
105.01981	0.5
107.01391	5.1
107.92952	0.6
109.02975	0.7
111.00887	3.0
113.02452	1.8
116.17363	0.5
119.03435	0.7
121.02912	0.6
122.99996	0.6
123.00896	13.1
124.01670	1.6
125.02453	28.6
126.02721	0.6
127.00365	0.8
134.44382	0.5
135.04553	3.1
136.98819	2.1
137.02426	0.8
139.00397	5.0
140.01167	5.4
141.01921	1.7
145.02998	0.6
151.00369	7.6
153.01993	0.6
154.99992	0.6
158.55490	0.4
161.02429	0.9
163.03923	0.5
167.03542	1.3
168.00645	8.5
169.01434	39.7
170.01730	1.0
173.02333	0.5
177.04042	1.9
179.03493	2.1
181.05052	0.6
189.02020	0.8
190.02655	0.8
200.83276	0.5
211.02486	32.1
212.02809	1.5
217.01428	1.1
218.02277	0.7
229.01407	0.9
241.03572	1.3
242.99290	1.3
245.00912	3.9
246.01520	0.5
270.98853	2.2
271.04602	27.7
271.99542	0.8
272.04910	1.8
273.00446	7.7
274.00854	1.1
298.98349	3.4
299.99069	0.7
300.99750	0.8
313.05692	3.4
315.98447	0.7
316.99393	13.3
317.99609	0.7
327.70880	0.5
330.00250	2.5
330.40973	0.5
331.00977	2.1
331.06741	0.9
389.95905	0.5
403.12460	13.4
404.12863	1.7
431.11862	4.0
449.03433	1.0
493.17169	100.0
494.17584	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	493.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52073	0.5
52.65408	0.6
53.08104	0.6
59.01097	0.7
59.01384	10.3
61.98816	1.9
62.66149	0.7
67.01880	0.9
69.03463	0.9
69.62315	3.6
71.01389	7.8
72.99300	1.6
73.02946	1.8
75.00864	1.7
79.01882	1.3
83.01389	1.7
85.02964	2.7
87.00864	1.0
89.02444	3.9
95.01375	1.5
96.96003	1.9
97.02957	0.9
99.00842	1.0
101.02436	3.6
107.01382	9.2
107.50623	0.5
111.00906	3.5
113.02466	2.1
117.03435	0.6
119.03500	0.8
120.34393	0.6
123.00894	16.3
124.01654	2.4
125.02457	40.9
126.02763	0.9
127.00362	1.0
129.01947	1.3
133.02962	4.8
134.03677	0.9
135.04536	36.4
136.04933	1.1
136.98792	2.0
137.02452	0.6
139.00381	6.4
139.03918	0.7
140.01175	6.0
141.01909	1.9
149.02406	1.4
150.03285	2.9
151.00374	9.3
151.04012	1.1
151.63222	0.6
153.01924	0.8
161.02463	19.1
161.04581	1.7
162.02773	1.2
163.03992	1.3
165.01927	1.2
165.05566	3.5
166.02719	1.3
166.99841	0.6
167.03534	1.1
167.99385	0.7
168.00671	9.3
169.01445	55.8
170.01765	2.2
175.03970	0.7
175.65350	0.7
177.04100	3.3
179.03481	3.8
181.05116	1.3
183.10294	0.9
190.06421	0.9
195.06590	1.3
205.08615	0.7
211.02493	33.9
212.02859	1.6
238.13861	0.6
241.03563	1.0
249.07547	0.9
253.03574	0.7
271.04602	31.7
272.04877	1.9
281.06723	0.7
297.06235	1.0
297.09589	1.4
299.99130	1.3
301.99594	1.9
313.05634	8.6
314.05856	0.9
315.01617	0.9
317.02094	1.2
329.05057	1.2
331.06714	1.8
341.08920	0.9
356.52365	0.7
383.15033	0.7
413.14417	7.3
414.14905	0.7
431.15622	6.2
433.24527	1.0
449.10925	26.6
450.11462	2.9
493.10281	11.1
493.17148	100.0
494.10986	1.2
494.17545	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	493.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.2
57.03709	1.7
57.78775	1.5
58.00604	1.8
59.01385	57.8
61.98839	21.3
69.03458	3.6
71.01389	32.2
71.05019	2.2
72.12826	1.5
72.99310	3.1
73.02959	8.5
74.99104	2.0
75.00902	2.3
83.01411	3.7
85.02966	11.9
87.00887	5.6
89.02455	22.4
93.03471	29.9
94.32647	1.5
94.75643	1.5
95.01393	4.1
96.96028	19.9
97.02939	2.1
98.20644	3.8
99.04546	1.6
101.02455	19.1
103.04070	2.4
107.01386	7.0
109.02969	4.2
111.00880	6.0
113.02451	12.8
114.02721	1.4
117.05556	1.9
117.07131	6.2
119.03506	8.6
120.99655	12.2
121.02943	15.5
123.00872	14.4
124.01680	3.5
125.02451	41.0
131.03549	2.0
133.02946	10.6
135.04527	9.6
136.98848	1.9
137.02438	8.7
137.06042	2.2
139.00395	8.2
139.04018	2.1
139.11295	9.2
140.01143	5.4
143.03535	2.2
151.00375	12.0
153.01910	5.5
154.02736	3.5
155.10706	2.0
157.08704	4.8
161.02455	34.8
161.04573	6.7
163.03964	2.1
165.01938	8.4
165.07637	2.8
168.00671	14.2
169.01442	49.0
169.05084	5.4
170.01767	3.7
179.03502	4.2
179.05609	4.5
179.07166	1.9
183.10280	38.3
195.06561	2.1
195.10260	1.8
197.11848	2.1
199.09671	2.5
211.02475	58.1
212.02802	4.0
259.02545	1.7
267.10959	7.5
271.04599	100.0
272.04932	5.8
275.01535	1.5
287.01926	7.2
300.99771	2.4
309.11914	2.9
313.00073	2.1
313.05771	2.8
315.01514	16.3
317.03055	1.9
323.07559	2.5
327.12921	7.3
330.03632	2.5
331.06952	9.4
331.12216	4.2
341.12500	11.7
373.13803	2.0
374.37231	2.0
412.07327	1.9
431.15652	22.0
433.24350	6.8
493.13440	76.3
493.23419	9.5
494.13596	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	493.1353
Annotation	Ericifolin
Peak:m/z	Relative Intensity
50.17540	0.6
57.03451	21.0
59.01385	11.5
61.98829	3.0
69.03447	2.4
71.01385	14.9
71.61085	1.2
72.99322	1.3
73.02949	3.2
75.00864	1.3
78.95924	0.5
81.03471	0.7
83.01383	2.2
85.02946	5.7
87.00871	1.7
87.04503	0.7
89.02442	6.5
92.05042	1.2
93.03477	1.9
95.01387	1.9
96.96002	1.0
97.02933	1.6
99.00859	1.2
101.02445	8.9
107.01405	8.6
108.04555	1.7
109.02939	2.6
111.00878	2.3
113.02457	6.0
115.92039	0.9
117.05640	0.7
119.03504	2.4
120.99689	0.8
121.02962	23.5
122.03278	1.0
123.00900	9.9
123.04504	0.7
124.01705	1.2
125.02459	47.8
126.02793	1.7
135.04507	1.9
136.04030	2.7
136.98798	1.4
137.02431	2.4
137.04390	0.9
139.00412	3.5
139.01340	0.7
139.04018	1.0
139.11301	3.0
140.01147	2.3
141.02010	1.3
146.08180	0.8
147.06645	0.8
151.00385	7.5
151.03979	2.0
155.07094	0.7
155.10739	1.0
161.02400	4.4
161.04485	3.1
165.07664	2.3
166.02747	1.0
168.00618	2.6
169.01433	64.0
170.01767	2.2
179.07138	56.9
180.07574	3.1
181.05157	1.0
183.10263	9.8
184.10585	0.7
189.07729	1.1
193.01430	0.7
197.11850	1.1
199.09743	1.4
207.08427	0.7
211.02425	1.7
225.11305	1.0
227.30048	0.7
241.03606	1.1
253.03558	0.7
299.99084	1.7
300.99637	1.4
301.99664	2.2
309.11957	2.9
313.05655	39.9
314.05948	2.5
315.01346	1.0
317.01944	2.4
327.12976	3.5
331.08072	0.7
331.17587	2.1
341.12579	1.2
389.09824	0.7
413.14648	1.6
431.15439	0.8
433.24274	1.3
435.09274	0.8
493.13495	100.0
493.22565	5.5
494.13855	14.7
494.22028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1356
Annotation	Ericifolin
Peak:m/z	Relative Intensity
55.01861	0.8
57.03445	0.9
59.01388	9.1
61.98840	10.9
67.01872	1.0
69.30249	7.4
71.01398	7.7
72.99321	1.5
73.02921	2.3
79.01868	1.8
83.01357	2.0
85.02955	4.2
87.00846	1.7
89.02452	3.6
95.01350	2.3
97.02913	1.0
99.00887	0.9
100.51453	0.8
101.02441	5.0
107.01403	12.6
109.02883	0.9
111.00885	4.0
113.02385	3.1
117.03430	0.7
119.03484	1.8
120.99609	1.0
123.00901	11.9
123.04482	1.7
124.01626	2.1
125.02457	58.8
126.02762	1.7
127.00284	1.4
135.04446	2.0
136.98795	1.5
137.02361	1.6
139.00392	5.3
139.03955	1.0
140.01178	3.9
141.01823	2.1
146.85863	0.8
149.02385	0.7
150.03140	2.7
151.00378	9.4
153.01817	2.9
153.05505	1.0
161.02428	0.8
161.04572	1.1
163.03865	2.5
164.04807	82.5
165.05505	7.8
168.00653	5.4
169.01445	74.9
169.90750	0.6
170.01653	2.2
179.07153	55.1
180.07385	2.9
183.02808	1.3
193.01358	0.8
206.82622	0.7
211.02499	8.9
241.03331	1.6
253.03352	1.2
271.04657	13.8
293.08502	0.8
297.06158	1.4
313.05676	42.6
314.05750	2.6
315.08325	1.5
327.07025	1.7
330.10931	1.3
331.11798	1.0
331.24490	1.4
339.09592	0.8
341.12411	4.6
393.12708	0.8
431.09341	1.0
445.54681	0.8
493.13055	100.0
493.29068	3.2
494.13385	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
65.90262	0.5
70.19444	1.9
71.01396	3.0
72.99300	0.6
73.02949	0.9
83.01411	0.8
85.02961	2.3
87.00900	0.7
89.02475	0.8
95.01413	0.8
98.20543	0.6
101.02460	1.2
107.01410	1.9
111.00872	2.1
113.02457	2.5
123.00909	2.9
124.01694	1.2
125.02452	18.8
126.02806	0.8
127.00417	0.6
135.04552	0.6
136.98845	1.0
137.02464	0.6
139.00397	1.7
139.04031	1.3
140.01161	2.8
151.00359	1.7
153.12498	0.5
165.01926	0.9
167.03493	1.1
168.00658	11.4
169.01442	29.0
169.05057	1.1
170.01772	1.0
179.90903	0.6
211.02490	49.2
212.02820	2.3
250.54489	0.5
253.48515	0.5
271.04605	100.0
272.04895	6.1
313.05655	1.9
327.90674	0.5
331.06729	32.2
332.07059	1.7
373.07681	3.8
403.08615	3.5
415.08838	1.7
430.10019	0.8
433.09744	1.8
475.10953	1.3
493.00412	0.7
493.12070	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	493.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
65.00325	0.8
69.03441	0.8
69.49342	1.5
69.49744	4.7
71.01390	4.1
72.97544	0.7
72.99324	0.7
73.02960	1.1
75.00865	2.0
75.92010	0.7
83.01378	0.8
85.02963	2.5
89.02473	1.1
95.01412	1.4
96.96944	1.0
97.02952	0.9
101.02448	3.1
107.01405	5.3
111.00874	1.6
113.02452	2.5
123.00887	5.0
124.01691	1.6
125.02458	27.5
126.02872	0.8
136.98778	1.1
139.00377	3.1
140.01180	3.4
141.02061	0.7
147.75255	0.7
151.00424	3.3
165.01958	0.9
167.03462	1.3
168.00665	10.7
169.01442	45.6
170.01788	2.4
177.01953	0.9
211.02499	48.2
212.02867	2.0
217.01486	1.0
241.03481	1.3
271.04617	100.0
272.05084	4.9
300.99878	2.4
313.05716	7.7
331.06723	33.6
332.07022	2.8
341.10962	2.9
373.07819	3.0
373.40155	0.8
385.07843	0.8
403.08600	3.5
415.08862	1.8
475.11011	1.6
493.12033	25.6
494.12213	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	493.0989
Annotation	Annulatin 3'-glucoside
Peak:m/z	Relative Intensity
55.01904	0.7
59.01382	6.5
61.98829	4.0
65.00347	0.7
69.56709	4.0
71.01388	7.3
73.02950	1.9
75.00883	0.6
83.01402	1.3
85.02959	3.4
87.00882	1.1
89.02450	1.8
95.01374	0.9
96.96037	0.7
99.00869	1.2
101.02441	4.9
105.28982	0.6
107.01405	1.8
111.00882	1.0
113.02451	3.4
119.15693	0.5
123.00874	3.9
124.01676	0.7
125.02449	7.6
126.75255	0.6
133.02919	0.7
135.04503	0.8
136.98875	0.8
137.02480	0.6
139.00377	1.6
139.11314	0.7
140.01146	1.3
143.03465	0.6
144.56911	0.6
147.04620	0.6
149.02414	0.5
150.03252	1.7
151.00380	6.6
157.59033	0.6
161.02431	1.6
161.04568	2.5
163.00381	1.1
165.02014	0.7
165.05574	1.9
168.00647	1.8
169.01451	10.3
171.04485	0.6
175.03995	1.0
178.99844	0.7
179.05630	0.7
181.05121	0.9
183.10277	1.4
187.04028	1.8
191.03688	0.6
195.06595	1.0
199.03952	0.7
203.03609	2.1
211.02483	2.8
213.01906	1.1
215.03537	2.5
217.01422	0.8
231.03018	1.8
241.01511	1.4
242.02243	1.0
243.03056	3.5
259.02472	7.9
271.02036	4.2
271.05017	4.8
272.02890	1.1
286.01114	0.7
287.01981	50.4
288.02362	4.1
297.97525	1.3
298.98041	0.7
299.98099	1.3
312.99887	1.0
313.05710	0.8
314.00317	1.6
315.01468	100.0
316.02090	20.9
317.02634	1.5
328.02151	1.0
329.02554	1.4
330.03802	12.3
331.04480	10.9
331.17761	1.6
332.04993	0.7
333.87030	0.6
375.76785	0.5
422.05905	0.7
431.15585	42.8
433.24710	0.8
465.10767	0.6
478.07330	2.7
493.09851	84.3
493.18329	4.2
494.10181	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	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.98829	3.6
64.46700	0.4
69.03459	0.6
71.01379	3.9
73.02934	0.5
79.01903	0.6
81.03470	0.5
85.02972	1.2
88.98816	0.6
89.02438	0.8
93.03480	0.5
95.01379	1.5
96.96036	1.0
97.02989	0.7
99.00903	0.5
101.02459	1.5
104.00126	0.4
107.01392	5.1
107.05029	1.3
109.03025	0.4
111.00899	1.8
113.02450	1.6
123.00900	6.3
124.01643	0.7
125.02449	32.0
126.02768	1.2
134.03767	2.5
135.04529	100.0
136.04877	4.2
136.98860	0.5
137.02460	0.8
139.00354	2.6
140.01158	1.3
141.01952	0.8
148.44856	0.5
151.00389	4.6
161.02411	1.1
165.02040	0.4
166.04999	0.5
166.99925	0.8
167.03529	0.6
168.00624	1.6
169.01428	49.4
170.01759	1.3
176.03514	0.7
179.03500	83.8
180.03821	4.1
193.01276	0.5
194.94176	0.5
205.01309	0.4
207.84650	0.5
211.02477	1.7
223.02408	0.5
241.03525	1.2
253.03195	0.5
271.04498	0.8
299.99133	0.9
300.99734	1.9
301.99872	1.0
313.05643	51.4
314.06094	4.0
316.99231	0.5
341.08755	3.9
342.09055	0.5
430.14346	1.2
431.16251	2.4
449.10666	3.1
493.09875	68.2
494.10114	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	493.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01384	11.1
61.98825	2.1
67.01886	1.2
69.03448	1.5
71.01386	8.0
72.99313	1.6
73.02951	1.7
75.00872	2.1
76.79695	0.5
79.01891	1.2
83.01405	1.7
85.02962	3.8
89.02451	3.4
95.01419	2.7
95.38390	0.5
96.96017	1.0
97.02954	1.3
99.00861	1.0
101.02451	5.2
107.01398	8.0
109.03001	0.7
110.00108	0.7
111.00877	4.1
113.02464	2.7
117.05608	0.7
119.03499	1.5
121.02959	0.8
123.00896	14.3
124.01669	2.1
125.02457	41.7
126.02810	1.8
127.00394	1.6
129.01881	0.9
133.02957	6.2
134.03700	1.1
135.04536	42.3
136.04852	1.8
136.98798	2.5
137.02415	1.0
139.00362	5.7
140.01186	5.8
141.01938	2.3
149.02457	2.0
150.03230	3.2
151.00363	9.3
151.04033	0.7
152.00647	0.6
153.01959	0.7
161.02460	22.6
161.04471	0.9
162.02789	1.2
163.04016	0.7
164.04807	0.7
165.01956	0.9
165.05544	2.4
166.02757	1.2
166.80844	0.6
166.99861	0.6
167.03464	1.3
168.00670	11.3
169.01437	60.7
170.01801	2.1
175.04048	0.7
177.04080	4.0
178.06392	0.6
179.03487	4.2
181.05066	1.6
183.10255	1.8
190.06372	0.8
190.35445	0.6
193.01408	0.6
195.06653	2.5
211.02492	32.5
212.02806	1.6
225.11211	0.8
241.03584	1.2
258.78683	0.6
271.04617	30.3
272.04913	1.5
281.06830	0.8
297.09814	1.5
300.99567	1.4
301.99713	1.4
313.05640	12.0
315.01495	1.9
316.01785	0.8
317.02032	1.9
329.05151	1.4
331.06781	2.0
343.11908	0.8
357.89410	0.6
396.47519	0.7
413.14459	9.0
415.13785	0.7
431.15613	7.7
433.25009	0.9
449.10931	32.8
450.11273	2.4
493.10272	14.4
493.17200	100.0
494.10352	1.9
494.17465	13.5
494.33490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00413	1.4
59.01364	1.7
61.98840	100.0
63.16999	1.3
69.14149	1.2
69.72703	4.2
69.73105	2.6
74.22997	1.3
79.79636	1.4
94.71609	1.6
127.94527	1.3
153.05560	5.6
157.38229	1.4
227.13838	1.4
254.66437	1.8
254.92677	1.5
255.23286	5.1
256.23587	9.2
429.22098	5.2
429.26480	12.9
449.32614	2.3
492.30563	2.9
493.32126	2.7
493.38950	3.4
514.81555	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	492.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57486	3.8
52.90707	3.6
53.94694	5.4
56.76834	4.1
58.58330	4.1
61.98835	76.6
67.84866	4.4
70.35271	3.9
70.76411	6.4
70.76765	9.0
83.01401	8.6
106.94672	4.3
125.02447	100.0
151.58623	4.1
195.97426	5.2
206.76291	4.4
369.36575	4.4
429.26462	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	492.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11142	2.4
61.98834	100.0
69.39832	19.9
86.15411	3.0
98.19901	4.1
101.85155	2.8
111.85854	2.7
119.61317	2.4
133.15268	2.2
133.69447	2.9
141.05673	2.6
153.05597	2.7
157.40097	2.2
165.18964	2.4
196.22316	2.5
201.55344	2.7
236.31952	2.6
493.39108	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	492.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18996	0.5
51.73787	0.6
55.12273	0.6
61.98835	100.0
65.20751	0.7
69.47520	5.4
70.47713	0.6
71.05038	2.2
74.80586	0.7
95.05067	1.6
96.66527	0.6
109.03017	1.0
123.04498	0.6
124.05333	3.9
138.03287	1.0
139.04039	15.5
150.18494	0.6
165.01973	2.6
166.02725	7.6
180.04292	3.3
186.12640	0.8
193.05069	5.2
198.01753	1.1
207.06638	0.8
249.11403	1.3
250.12169	1.0
304.17065	1.5
429.22839	57.1
430.23123	8.3
430.27539	0.6
448.88095	0.7
498.58749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45292	1.3
59.85558	1.3
61.85675	1.2
61.98840	100.0
71.05035	1.9
87.00874	2.3
98.19853	3.5
151.04002	1.8
153.05589	3.1
155.72350	1.3
159.11678	1.4
198.85579	1.3
229.43768	1.4
354.48090	1.5
375.28491	1.5
401.87201	1.4
429.26471	17.0
430.26624	4.1
449.32504	2.4
473.24335	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	492.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07444	1.0
59.01374	10.5
60.99317	1.2
61.98836	15.1
69.59987	3.9
69.60390	2.4
71.01051	0.9
71.01378	6.1
72.99294	1.4
73.02945	1.0
75.00866	1.1
83.01395	1.2
84.40305	1.0
84.53051	1.0
84.53602	1.1
85.02960	2.3
87.00905	1.5
88.98814	6.2
89.02438	3.3
95.01343	1.1
96.39796	0.9
96.96020	2.3
97.02961	1.2
98.20614	1.3
101.02449	4.4
105.14630	1.1
107.01385	4.4
111.00889	3.3
113.02454	2.4
119.05027	3.1
120.99638	1.7
123.00862	7.7
123.04523	1.3
124.01669	2.1
125.02455	29.2
135.04495	1.3
136.98862	2.0
137.02437	1.0
139.00391	3.6
139.94522	1.0
140.01161	3.1
148.68083	1.1
151.00389	6.4
153.61726	1.2
161.02498	1.7
163.00320	1.6
163.04054	5.1
167.03445	2.7
168.00656	16.7
169.01437	47.7
170.01764	3.1
173.02501	1.6
179.03520	2.3
193.01398	1.9
193.56378	0.9
194.99272	1.6
201.01846	1.5
211.02480	61.5
212.02808	3.4
213.01765	0.9
217.01346	2.2
229.01437	1.2
231.02980	1.6
232.03706	1.1
241.03581	2.8
245.00801	2.7
247.02400	1.7
249.04123	1.4
257.00922	1.5
271.04599	100.0
272.04907	6.7
273.00339	2.9
274.01239	1.1
275.01999	3.5
298.98380	1.1
300.99948	7.2
302.00446	1.3
303.00586	1.2
313.05640	2.1
316.99503	5.9
317.02747	1.0
322.45184	1.0
330.00055	1.6
331.00903	2.1
331.06714	22.7
332.07169	1.4
339.12747	1.2
355.12820	0.9
403.12445	5.2
429.10321	65.4
430.10498	5.0
457.13608	1.9
466.52686	1.5
492.14081	4.2
493.00342	4.9
493.17395	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3021
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
50.26068	0.9
52.81925	1.0
57.03448	3.0
59.01383	9.2
61.98833	2.9
71.01382	4.5
71.05023	5.1
72.99314	0.9
73.02958	1.1
81.03470	1.6
83.01389	1.6
83.05026	3.1
85.02960	6.6
85.06598	4.6
87.00876	2.1
87.04534	2.5
89.02450	2.9
92.44879	0.9
95.05039	5.6
96.96040	1.4
97.06587	2.8
99.00893	1.0
99.04501	1.6
99.08138	1.7
100.05334	1.2
101.02458	2.3
101.06134	2.4
107.05070	1.1
109.02945	1.2
109.06596	3.4
111.04530	1.3
111.08141	0.9
113.02448	2.4
119.03513	0.9
119.05060	1.8
122.03793	6.3
123.04565	8.1
125.02431	3.5
125.06100	2.3
125.09695	1.1
127.11286	3.9
135.04533	18.7
136.05284	4.2
137.06084	4.6
137.09753	2.0
138.06828	1.6
139.11317	1.1
143.91409	1.1
145.02884	1.0
149.06107	1.6
150.06802	1.2
151.07602	0.9
151.11308	1.2
157.12352	2.8
161.04614	1.1
161.09727	1.0
161.13344	1.8
163.03999	2.4
163.11299	1.7
165.05600	1.8
167.03465	1.2
179.03554	3.0
180.04143	1.4
181.12350	8.4
193.05061	1.3
203.18092	3.9
205.12376	2.6
207.02946	1.4
215.85826	0.9
216.07755	0.9
229.18016	2.6
247.17061	3.4
275.16504	1.3
286.08377	2.0
294.27737	1.0
299.99176	2.9
301.10846	9.0
315.01514	1.8
329.10382	1.7
345.24133	1.0
347.25626	1.5
375.25409	15.2
376.25681	2.0
391.21402	1.7
403.32184	2.9
405.30167	2.6
415.10684	1.2
427.28455	1.9
429.30005	5.6
431.20490	1.2
445.29474	2.6
447.13226	2.1
447.31198	100.0
448.31555	16.0
449.21774	1.4
491.23032	4.9
491.30185	35.6
492.24152	1.3
492.30460	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	491.2289
Annotation	Scupolin J
Peak:m/z	Relative Intensity
55.01883	1.3
57.03448	1.6
59.01382	17.3
60.43807	0.6
61.98839	2.5
68.99815	1.0
69.29963	1.5
69.30386	3.9
71.01386	11.4
72.99338	0.7
73.02954	4.1
81.47700	0.5
83.01405	1.7
85.02959	5.3
85.91161	0.5
87.00865	1.0
89.02448	3.9
92.18079	0.5
93.03462	29.3
95.01405	1.8
96.96017	1.0
99.00896	1.1
101.02454	8.8
102.36362	0.5
108.02178	1.2
111.00864	0.5
113.02438	3.7
119.03510	1.0
119.05037	6.7
121.02955	2.3
123.00904	0.6
123.04505	1.3
125.02474	1.0
135.04477	1.0
136.01674	1.9
137.02451	77.0
138.02757	3.3
139.03984	0.7
143.03511	0.8
145.02979	0.8
161.04533	1.2
163.03993	6.0
169.01418	0.9
179.03502	1.5
184.25670	0.6
209.15410	1.4
211.13380	2.1
213.15021	0.5
221.04576	0.9
243.39438	0.6
281.06720	0.7
293.21307	1.0
299.98877	1.1
307.02667	0.5
311.22192	0.7
315.01266	0.8
329.23477	2.6
329.26782	0.7
340.99451	0.6
353.81271	0.5
365.02756	0.6
491.22803	100.0
491.28726	8.7
492.23187	11.8
492.29242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.92883	1.1
59.01359	1.1
60.99313	17.4
61.98840	11.2
67.52822	1.0
69.54897	7.0
85.02940	1.2
88.98816	100.0
91.01792	1.1
98.20577	2.5
103.23288	1.2
112.98589	1.4
125.02467	2.3
151.07698	1.3
153.05597	2.6
167.32822	1.2
176.14676	1.3
179.07422	1.1
193.05096	3.4
247.32997	1.4
401.18369	1.6
401.23224	8.8
429.22247	1.3
491.29407	2.5
491.37314	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	491.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03465	2.6
58.00559	0.6
59.01384	12.4
61.35873	0.5
61.98839	4.2
68.99823	1.5
69.03507	0.6
71.01388	12.3
71.05035	0.8
71.61256	0.9
72.99341	0.8
73.02957	4.4
74.76791	0.5
75.00887	1.1
75.92258	0.5
78.29032	0.6
83.01389	1.9
85.02963	7.1
87.00881	1.4
89.02448	3.1
93.03466	35.9
95.01403	1.8
96.96030	0.9
97.02952	1.0
99.00878	1.9
99.04578	0.7
101.02455	8.7
103.60815	0.6
108.02206	1.0
109.02966	0.6
111.00861	0.8
113.02468	4.0
117.03472	8.4
117.27126	0.6
119.03600	0.9
119.05035	3.9
121.02943	2.6
123.00953	1.2
123.04528	1.4
125.02458	1.9
135.04584	0.8
136.01672	2.9
137.02461	87.0
137.09741	0.6
138.02773	3.0
145.02975	25.1
146.03307	1.1
151.03954	0.7
159.03091	0.7
161.02539	0.6
161.04689	1.2
163.04028	6.6
164.04161	0.6
165.05550	0.7
169.01431	0.8
175.03854	0.7
177.05498	0.9
179.03471	1.6
183.02983	1.8
183.13800	0.6
187.04001	1.7
193.05083	1.1
209.15532	1.6
211.13269	0.6
216.81319	0.7
221.04576	1.3
299.99103	1.4
313.05862	0.8
315.01700	1.0
329.23352	1.1
491.22906	100.0
492.23193	14.1
492.29785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67812	0.3
59.01376	4.6
61.98829	1.8
65.71685	0.3
71.01376	1.9
71.61132	0.4
73.02953	0.9
75.00877	0.7
85.02966	1.0
87.00897	0.5
89.02456	0.9
93.03474	1.2
96.96014	0.5
97.02951	0.4
100.79328	0.4
101.02431	1.0
109.02995	0.4
113.02451	0.8
116.03225	0.3
117.03473	0.4
119.05033	100.0
120.05370	3.7
123.04526	0.8
125.02459	1.0
135.04535	0.6
135.08253	0.3
137.02460	0.4
139.11302	0.5
145.03015	0.5
154.01476	1.0
161.04614	0.4
163.04015	83.1
164.04358	3.7
168.03014	0.3
169.01443	0.9
177.05502	0.7
183.10350	0.5
213.15010	0.8
276.70602	0.3
285.11334	0.9
299.99020	1.1
307.08292	0.3
315.01382	0.9
329.17480	0.4
329.23462	0.7
351.09436	0.3
440.02347	0.3
491.05176	0.4
491.11829	0.5
491.22968	0.5
491.28934	0.9
512.67700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1563
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
59.01385	9.7
61.98838	5.6
71.01377	7.5
73.02946	1.5
75.36774	0.8
80.14256	0.8
85.02950	3.6
87.00851	1.2
89.02425	4.1
93.03464	1.3
95.01363	1.1
95.05019	1.6
96.96015	2.3
97.02929	1.0
98.19853	2.1
101.02464	3.9
107.01387	3.2
113.02438	3.1
117.03442	2.0
117.05566	2.2
119.03522	1.8
119.05031	1.9
121.02949	2.0
122.03787	1.2
123.00886	3.0
123.04530	100.0
124.04865	3.0
125.02451	12.3
132.02176	8.3
133.02931	1.7
134.03743	14.1
135.04562	5.9
137.02393	1.4
139.00296	1.0
139.04008	1.8
140.01117	0.9
141.01976	1.3
145.02928	2.5
149.06081	2.6
151.00343	1.4
153.05580	92.7
154.05893	3.1
160.01669	41.6
161.02156	1.1
161.04549	2.0
163.04044	1.6
163.16492	0.8
165.01913	0.7
167.10759	3.5
168.00664	1.6
169.01425	11.9
175.04005	57.2
176.04366	1.5
177.05562	8.5
178.02774	1.3
179.03481	4.0
179.05579	1.1
179.10777	1.1
183.02977	1.6
193.01273	0.8
193.05077	13.5
195.56528	0.7
201.18149	0.8
217.63167	0.9
235.56952	0.7
243.12375	0.9
269.17578	1.1
299.99173	4.0
313.05667	6.7
315.01538	3.0
329.10739	1.3
337.09290	77.7
338.09604	7.0
491.11679	19.9
491.22272	3.2
492.12360	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	491.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17979	0.6
59.01384	8.4
71.01398	4.0
72.99344	1.0
73.02959	4.2
74.89535	0.7
75.00896	1.1
85.02944	1.3
87.00864	0.8
89.02453	16.4
98.20660	1.5
103.04028	3.3
118.07505	0.7
131.02635	0.9
131.03526	6.2
149.04576	100.0
150.04904	2.6
182.87895	0.6
215.21870	0.7
220.84236	0.7
258.47665	0.7
296.44592	0.7
300.99734	1.0
330.74994	0.7
396.22589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58816	5.2
65.45456	4.9
70.65916	4.5
71.61081	5.9
99.68586	4.2
99.92594	14.4
104.20460	5.1
104.58092	4.6
116.92875	100.0
384.03238	5.0
394.90698	5.4
487.87927	5.7
491.37305	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	491.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
58.00581	0.7
59.01386	15.4
61.98827	0.6
62.38755	0.6
69.46409	4.5
71.01391	9.2
72.99306	1.0
73.02946	0.7
74.99100	0.5
76.42892	0.5
79.01913	0.9
83.01400	0.8
85.02969	3.4
87.00878	1.2
89.02452	7.4
95.01376	0.6
101.02454	6.0
109.02964	0.7
111.04567	1.2
113.02457	3.1
117.03507	0.9
119.03521	3.9
119.05005	0.9
121.02930	0.8
122.03728	0.8
123.04570	0.7
125.02447	2.7
133.02985	0.6
134.03748	0.7
135.04538	4.7
136.01677	1.4
137.02449	0.7
145.02957	1.6
149.02467	1.6
149.06046	0.8
150.03233	6.9
151.03978	0.8
152.04819	0.8
161.44508	0.5
163.03995	0.6
167.03485	0.5
167.07144	1.4
168.25346	0.6
169.01424	1.8
174.26752	0.6
177.01950	2.0
178.02725	21.7
179.03528	7.7
180.04251	1.8
193.05072	48.1
194.05379	2.0
195.06599	0.6
196.03699	0.6
197.04523	0.7
203.03525	1.3
207.02998	12.8
207.27284	0.6
211.06151	5.5
213.14955	0.8
221.04539	1.0
224.08493	0.6
225.05592	0.7
239.07185	2.5
240.07838	0.7
253.05054	2.1
267.06613	10.8
268.07358	3.2
286.08517	1.9
295.06119	9.8
296.06900	56.8
297.07303	4.9
299.98953	1.0
301.10818	5.4
311.09262	100.0
312.09589	9.4
315.01486	0.8
318.05923	0.6
328.05954	6.2
329.06396	0.6
329.10303	1.5
414.60849	0.8
449.21783	1.0
491.16235	0.6
491.22540	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	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54974	0.9
59.01380	4.8
59.83224	0.8
64.74776	0.8
65.03932	0.9
66.77042	0.9
69.03444	1.0
71.01388	2.6
73.02940	2.1
79.01888	0.9
81.03458	7.3
83.01390	7.2
84.58802	0.8
85.02959	2.1
88.98819	3.1
89.02432	1.3
93.03453	1.4
95.01393	2.6
95.05038	5.0
96.95994	3.1
96.96992	1.8
97.02948	3.6
99.04525	2.4
101.02451	1.3
101.77296	0.9
107.05035	2.1
109.02927	2.7
109.06586	1.2
111.04573	1.5
113.02461	2.0
117.05587	1.6
117.97308	4.1
121.02966	3.0
121.06617	1.2
123.00879	2.4
123.04536	14.2
125.02457	9.8
135.04509	2.4
135.98372	1.4
137.02422	2.9
137.06081	6.2
139.04034	8.5
147.04524	1.4
149.02475	1.1
149.06056	1.2
151.00349	1.2
151.04037	2.1
153.05576	2.4
161.06053	1.6
163.04018	3.9
164.04726	1.6
165.01926	2.8
165.05611	4.8
167.03508	26.1
169.01411	4.9
177.05531	2.7
179.03484	5.5
181.05077	2.5
189.05591	1.8
191.03506	2.1
193.05132	5.0
194.05438	1.0
197.04547	2.7
200.58951	0.9
207.06575	1.6
209.04568	39.7
210.04947	2.0
219.02989	1.4
221.04561	9.1
223.06087	1.6
229.21271	1.4
233.04538	1.3
235.06097	2.8
239.05623	15.7
248.03238	1.5
249.04155	1.5
250.79871	1.1
251.05624	100.0
252.05922	6.4
263.05621	4.9
269.06723	1.6
271.04648	1.8
275.01770	1.3
281.06686	64.9
282.06989	5.1
293.06802	5.1
300.99911	3.2
311.07785	19.1
312.08206	2.0
323.07471	1.6
353.08887	5.8
371.09851	17.0
372.10184	1.4
383.09857	4.4
401.10513	1.1
424.75455	1.0
429.10172	2.0
491.13470	13.5
492.13522	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	491.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01390	10.7
61.98838	4.7
67.01884	1.5
69.03444	0.9
69.28576	7.1
71.01380	6.3
72.99322	1.3
73.02953	1.9
74.98469	0.7
75.00871	1.0
79.01912	1.0
80.74229	0.7
83.01363	1.8
83.04965	0.8
85.02964	4.3
87.00854	1.0
89.02459	3.4
93.03460	0.9
95.01404	1.4
95.05019	1.2
96.96015	2.7
97.02949	1.5
99.00900	0.8
101.02444	4.0
103.04003	1.4
107.01396	11.3
109.02958	1.4
111.00880	3.2
113.02465	3.6
113.52412	0.7
117.03475	5.6
117.05587	1.0
119.03505	0.9
119.05064	7.8
120.99626	1.1
121.02993	6.4
121.05126	1.0
123.00893	16.1
123.04538	23.5
124.01682	1.9
125.02454	56.6
126.02783	2.0
127.00370	0.9
132.02150	3.5
133.02985	1.5
134.03777	4.7
135.04547	13.6
136.98871	1.0
137.02467	2.3
139.00404	4.3
139.04016	2.0
140.01199	3.6
140.94572	0.9
141.01894	1.8
145.02959	15.3
149.02437	1.0
149.06093	1.2
151.00398	8.3
151.03830	0.8
153.01945	0.9
153.05580	20.9
160.01660	9.9
161.02400	0.8
161.04594	0.9
162.03226	2.2
163.04010	5.7
165.01968	1.0
167.03522	1.0
167.26086	0.8
168.00693	3.9
169.01434	67.8
170.01773	2.3
175.04016	11.7
177.05576	43.2
178.05901	1.2
179.03519	11.8
179.10785	1.3
181.12320	1.3
183.02989	7.1
185.02563	0.8
193.05045	4.1
211.02472	2.2
241.03651	1.3
242.62491	0.8
242.86324	1.0
257.33344	0.7
299.99152	3.5
301.00156	1.0
301.47632	0.9
313.05661	39.4
314.05905	3.0
315.01343	2.3
327.07251	5.8
337.09311	16.0
338.09940	0.8
344.72037	0.8
371.12234	0.7
410.09641	0.9
411.13211	1.5
459.09164	6.1
460.10056	0.8
491.11972	100.0
491.20917	4.5
492.12357	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	491.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73640	0.5
59.01368	2.3
61.98838	0.6
61.99617	0.5
65.00317	0.7
70.04207	1.3
70.04620	1.7
75.02404	1.2
83.58925	0.5
85.02974	0.6
91.01878	3.0
93.03450	0.9
95.01415	0.6
95.14345	0.6
101.02435	0.5
107.05022	0.8
108.02147	2.5
109.02949	1.5
110.19629	0.5
119.01402	6.0
121.02967	1.9
123.00842	0.6
123.04500	1.2
124.01630	0.6
125.02437	2.0
131.01392	5.1
132.02127	0.6
132.65739	0.5
133.02986	0.7
135.04507	2.0
136.01633	0.9
137.02443	1.7
147.00899	21.9
147.04500	0.7
148.01692	5.5
149.02440	0.6
151.04027	1.8
153.05582	1.1
157.65536	0.5
159.00903	4.8
163.00371	0.9
163.04062	1.7
164.01144	0.6
165.01892	1.1
175.00377	18.5
176.01138	21.5
177.01839	2.5
179.03523	2.6
188.68468	0.5
190.02753	3.1
190.99846	2.4
191.03513	8.0
192.00600	2.1
193.01433	0.9
202.99876	33.4
204.00255	2.1
205.01410	0.8
207.03049	4.9
209.00891	0.9
215.03474	0.8
218.99365	1.4
220.00127	1.0
221.00928	3.7
235.02490	20.4
235.04857	1.0
236.02820	1.4
244.07516	1.3
246.98854	29.3
247.99287	2.3
256.00259	0.9
271.06085	0.7
279.01474	100.0
280.01819	6.0
299.99203	1.3
315.01572	0.6
315.05188	1.0
332.01563	0.8
347.07727	0.9
402.72150	0.6
490.36478	3.2
491.12003	4.8
491.22452	0.9
491.36758	1.1
492.12320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29148	0.5
59.01377	1.6
61.98821	1.4
65.00357	0.5
67.01892	0.8
71.01402	0.6
71.60980	0.7
75.02390	0.9
84.02551	0.4
85.02883	0.4
91.01888	5.0
93.03448	0.9
95.01400	0.7
95.05010	0.5
96.96000	1.2
103.01846	0.5
107.05047	1.0
108.02185	3.7
109.02966	1.4
111.00857	0.6
117.03477	0.6
119.01382	5.3
119.05038	0.9
121.02963	1.5
123.04542	1.0
124.01713	0.5
125.02445	1.7
131.01390	5.1
132.02151	0.6
133.02895	1.0
135.00952	0.6
135.04568	2.2
137.02414	1.5
145.02980	0.9
147.00891	20.8
148.01712	4.2
149.02402	1.3
151.00392	0.6
151.04005	1.6
153.05597	1.1
159.00899	4.5
160.01260	0.5
161.02440	0.5
163.00417	1.2
163.04008	2.0
164.01120	1.0
165.01886	1.0
165.05563	0.9
175.00371	19.7
176.01146	22.0
177.01779	2.5
178.99913	1.0
179.03502	3.0
190.02721	2.7
190.99881	2.3
191.03502	7.2
192.00629	2.3
192.03874	0.8
193.01410	0.9
202.92462	0.5
202.99870	35.4
204.00198	2.0
205.01518	0.8
207.02930	4.5
209.00851	0.9
215.03508	0.7
216.03955	0.5
218.99413	2.4
220.00060	2.0
221.00911	4.5
228.00610	0.7
229.04950	0.4
235.02487	23.5
236.02878	0.6
244.07199	0.5
246.98851	29.4
247.99234	1.8
256.00360	0.4
271.06046	1.5
272.06372	0.4
279.01471	100.0
280.01785	6.6
288.02725	0.7
299.99036	1.1
315.01547	0.8
315.05151	1.8
323.05725	0.6
328.09833	0.5
332.01517	0.5
347.07675	0.9
355.80029	0.5
383.07642	0.8
389.27005	1.3
459.09476	2.0
491.11960	5.1
491.23016	1.6
491.29276	0.6
491.34509	0.5
492.12335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0837
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01381	3.9
61.98857	1.5
62.14187	0.6
69.34911	5.5
71.01405	1.6
78.66542	0.6
85.02982	0.8
87.00912	1.0
89.02494	1.4
94.10672	0.7
96.96045	1.3
98.19881	1.0
98.42924	0.6
101.02476	1.4
105.17271	0.6
123.04536	5.7
125.02487	2.6
132.02234	0.7
133.02997	0.8
134.03804	0.8
135.04555	1.5
153.05597	4.5
160.01675	1.4
161.02486	2.6
167.02095	1.1
167.03471	9.9
167.04703	0.7
169.01471	0.9
175.04012	2.1
176.12756	0.6
179.03600	1.0
183.02980	2.4
183.10327	0.7
209.04578	0.9
257.01074	0.8
258.01736	1.6
269.98077	6.4
270.98822	10.9
271.99167	0.8
281.47534	0.7
282.01804	0.8
283.99731	3.0
285.00424	15.9
286.01120	4.3
291.23206	0.8
297.00275	0.7
297.97568	17.4
298.00943	1.0
298.98318	35.0
299.98898	3.2
312.55295	0.6
312.99927	47.0
314.00693	56.4
315.01120	4.5
323.07745	2.7
327.01709	0.7
328.02225	16.3
329.03036	100.0
330.03363	8.9
337.09277	2.4
371.07874	0.8
491.08267	90.5
492.02216	1.0
492.08652	10.2
506.46378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0833
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
52.41956	0.5
59.01386	2.0
61.98845	0.6
69.45258	4.2
71.01405	0.7
75.00842	0.7
89.02431	0.8
98.19821	0.6
101.02459	0.8
112.50340	0.6
117.07528	0.5
119.05048	1.1
125.02482	0.8
137.02466	1.3
139.04028	3.5
145.02977	0.9
165.01961	4.6
169.01424	0.7
185.99632	0.7
197.99576	1.5
241.98593	1.2
254.99289	2.1
257.00830	2.0
269.98074	27.1
270.98444	2.0
285.00403	16.7
297.97559	58.9
298.98096	3.2
299.99088	2.6
312.99902	100.0
314.00296	7.5
315.01651	1.3
325.87128	0.6
328.02237	69.7
329.02612	6.0
345.08063	0.8
467.99713	0.7
476.05902	7.8
477.06619	1.0
491.08307	78.0
492.08743	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	490.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91240	0.5
59.01385	2.3
61.98840	0.7
69.73127	2.3
71.01396	1.4
75.00886	0.7
81.85520	0.5
83.01404	0.5
85.02966	0.7
89.02470	1.1
92.05078	2.0
97.32920	0.4
98.90699	0.4
101.02441	0.8
102.03500	0.5
107.01408	1.6
113.02485	1.0
115.80312	0.5
118.03063	0.7
120.04559	1.8
121.28432	0.4
123.00902	1.1
125.02446	7.2
145.02945	0.5
146.02486	4.7
147.03229	1.3
148.04051	3.2
149.02412	0.5
151.00273	0.6
158.06143	0.6
161.02399	0.5
169.01430	8.9
174.01990	1.9
175.02753	42.3
176.03531	100.0
177.03896	4.0
186.05656	1.3
188.03586	2.5
207.05162	0.8
211.02563	0.7
212.07956	0.4
227.39301	0.5
299.99124	8.7
313.05627	2.9
315.01477	7.1
338.08820	89.5
339.09158	6.6
490.09888	16.5
490.17270	0.8
490.20303	0.6
491.04181	0.6
491.10236	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	490.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62208	3.6
57.03450	4.2
61.98836	75.8
62.88665	3.0
66.91241	3.6
69.64808	9.4
69.65218	11.7
80.61045	3.5
83.01392	11.8
111.08220	3.0
119.80917	3.3
125.02454	100.0
126.02779	3.9
133.53525	3.6
167.94186	3.4
293.59683	3.3
305.97675	3.5
427.24786	14.7
436.68228	4.2
444.43991	3.8
444.78842	3.4
475.97055	3.4
486.86279	3.5
490.35995	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	491.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77151	0.3
52.30698	0.3
55.25653	0.3
59.01387	0.9
60.29129	0.2
66.11053	0.3
68.98370	0.2
70.09054	0.3
71.01356	0.4
75.98227	0.3
78.61369	0.3
80.06706	0.3
85.02941	0.9
99.91701	0.3
113.02463	0.8
116.08140	0.3
124.92971	0.3
172.01656	0.4
176.57193	0.3
200.01125	0.7
216.00604	1.2
242.99319	0.8
244.00142	1.1
270.98871	0.9
298.98334	1.2
299.99103	100.0
300.99448	6.8
315.01462	80.6
316.01791	6.4
348.72678	0.4
491.04681	11.8
491.17624	0.9
492.04919	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	489.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03471	0.8
58.41914	0.6
59.01092	1.4
59.01383	18.6
59.84623	0.5
61.98836	3.3
71.01388	11.2
71.05027	0.8
72.99307	1.0
73.02959	2.7
83.01407	1.8
85.02959	4.5
87.00864	1.1
89.02457	5.9
92.02700	0.8
93.03466	41.0
94.03819	1.3
95.01386	2.9
96.96009	6.1
98.56782	0.6
98.95599	5.8
98.96484	1.3
99.00886	0.7
101.02456	6.6
102.07027	0.6
107.01392	4.4
107.05063	1.7
108.02210	0.9
108.44380	0.7
113.02457	6.0
114.94814	0.6
117.03426	0.8
117.05592	3.8
119.03509	1.4
119.05019	1.1
121.02950	1.5
121.06633	1.0
123.00913	2.5
125.02463	13.9
126.02804	1.9
127.02917	1.5
135.04573	2.4
136.01680	15.7
137.02460	100.0
137.09726	7.4
138.02789	3.4
139.00371	1.0
145.02995	1.8
147.04567	1.1
149.02443	3.2
151.00420	1.2
151.04033	4.6
161.80798	0.6
163.04036	0.7
168.00667	1.2
169.01443	19.4
169.16653	0.7
170.01816	2.5
171.01878	3.8
175.07588	0.7
179.03510	71.7
180.03789	3.0
209.04555	29.3
210.04883	1.8
226.77536	0.6
227.07155	7.2
233.04567	1.3
239.05615	83.4
240.06012	4.6
255.16005	2.3
281.06650	1.0
294.04581	0.6
299.07727	12.7
300.07895	0.9
327.21832	1.9
335.11630	1.0
337.11505	3.5
407.17181	4.5
409.17874	3.6
489.13019	12.0
489.22018	12.7
489.27475	5.8
490.13760	1.4
490.21280	1.3
490.27719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3588
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
51.94979	0.4
53.02324	0.4
54.75345	0.4
57.03442	0.5
59.01385	1.5
59.98526	0.4
61.98830	0.8
69.46411	2.4
69.46819	0.9
71.01383	0.4
71.05025	0.5
71.63763	0.4
73.77256	0.5
83.05055	0.6
85.06628	0.6
86.07010	0.4
93.15613	0.4
125.92279	0.5
139.04034	1.7
141.09171	0.6
153.05594	1.9
196.41586	0.5
198.22102	0.5
203.14464	0.5
221.15482	1.3
223.17068	2.0
249.18614	0.7
267.19797	1.0
287.20285	0.9
289.21872	0.8
361.93311	0.4
382.58188	0.5
411.32510	0.9
425.34393	1.8
426.35172	0.6
427.35843	54.7
428.36218	8.2
431.24277	1.1
445.36829	3.2
471.34763	1.2
489.35892	100.0
490.36267	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	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01094	1.9
59.01384	33.2
61.98833	6.9
62.01156	0.9
69.03442	1.1
71.01387	26.8
72.99306	1.9
73.02947	6.7
75.00878	1.3
83.01388	3.4
83.05029	1.3
85.02961	8.1
87.00871	2.8
88.98815	1.0
89.02448	20.4
95.01394	2.3
97.02966	1.9
97.06541	1.1
97.94774	0.9
99.00897	2.3
101.02454	21.1
102.02795	1.1
103.04008	1.2
107.08699	1.5
113.02457	10.2
117.03446	1.2
117.05547	1.5
119.03520	6.9
119.05002	1.7
120.99657	1.4
121.05077	20.3
123.00869	3.3
123.08203	1.4
125.02454	8.1
126.02788	2.0
133.02940	2.3
133.10229	2.1
135.11813	23.4
143.03462	1.2
145.03011	2.2
151.00392	2.2
159.03017	1.5
161.02419	3.3
161.04579	6.2
161.09673	3.2
163.06033	1.3
169.01457	4.8
177.12865	1.9
179.05582	2.9
179.10783	100.0
180.11139	4.4
191.05775	1.2
193.12358	1.2
221.11879	2.8
223.09932	1.2
256.07431	1.1
265.09369	8.9
267.16006	3.5
283.10361	44.4
284.10666	3.4
311.05634	3.8
318.53009	1.2
327.08578	2.3
429.17609	1.1
445.20718	4.1
447.49185	1.3
464.07422	1.0
489.13586	6.7
489.19861	36.3
490.20367	5.3
504.84308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01094	1.9
59.01384	33.2
61.98833	6.9
62.01156	0.9
69.03442	1.1
71.01387	26.8
72.99306	1.9
73.02947	6.7
75.00878	1.3
83.01388	3.4
83.05029	1.3
85.02961	8.1
87.00871	2.8
88.98815	1.0
89.02448	20.4
95.01394	2.3
97.02966	1.9
97.06541	1.1
97.94774	0.9
99.00897	2.3
101.02454	21.1
102.02795	1.1
103.04008	1.2
107.08699	1.5
113.02457	10.2
117.03446	1.2
117.05547	1.5
119.03520	6.9
119.05002	1.7
120.99657	1.4
121.05077	20.3
123.00869	3.3
123.08203	1.4
125.02454	8.1
126.02788	2.0
133.02940	2.3
133.10229	2.1
135.11813	23.4
143.03462	1.2
145.03011	2.2
151.00392	2.2
159.03017	1.5
161.02419	3.3
161.04579	6.2
161.09673	3.2
163.06033	1.3
169.01457	4.8
177.12865	1.9
179.05582	2.9
179.10783	100.0
180.11139	4.4
191.05775	1.2
193.12358	1.2
221.11879	2.8
223.09932	1.2
256.07431	1.1
265.09369	8.9
267.16006	3.5
283.10361	44.4
284.10666	3.4
311.05634	3.8
318.53009	1.2
327.08578	2.3
429.17609	1.1
445.20718	4.1
447.49185	1.3
464.07422	1.0
489.13586	6.7
489.19861	36.3
490.20367	5.3
504.84308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80555	1.8
55.03379	1.7
55.06765	1.9
56.30602	1.5
57.03461	2.0
58.00581	2.1
59.01388	58.4
61.98825	5.3
71.01389	44.3
71.05010	1.7
71.61430	2.3
71.61845	2.9
72.99318	4.4
73.02944	8.5
83.01404	5.0
85.02959	13.8
87.53793	1.7
89.02453	43.0
95.01410	4.3
96.96030	2.8
99.00887	3.0
101.02451	41.2
110.62224	2.0
111.00931	2.2
113.02457	19.3
117.05607	4.4
119.03511	15.3
120.99643	2.4
121.05070	33.3
123.00877	1.8
125.02435	4.7
131.03632	1.9
133.10243	4.6
135.04482	1.7
135.11818	18.7
143.03500	3.3
145.03067	2.1
159.08197	4.6
161.04590	12.9
161.09724	18.6
163.03996	2.0
169.01439	2.2
175.76181	2.0
179.05646	6.3
179.10788	68.5
180.11095	3.3
203.10782	2.1
223.09766	2.3
232.11731	2.1
264.55975	1.9
265.09296	11.9
283.10361	100.0
284.10699	4.6
300.99838	6.7
401.83508	1.8
432.66019	1.8
489.19687	49.9
490.20190	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97174	0.7
57.03453	4.7
58.00593	1.1
59.01385	38.6
61.98837	4.2
69.32957	7.8
71.01389	12.7
71.05035	1.0
73.02938	3.8
75.00851	1.1
81.77549	0.8
83.01372	1.4
83.05052	1.4
85.02966	10.7
87.00864	3.7
87.30950	0.8
89.02448	9.4
95.01422	1.0
96.37297	0.9
97.02940	0.8
99.00871	1.6
99.04506	1.8
101.02460	7.4
103.04022	21.8
113.02450	4.2
117.05585	1.1
119.03503	3.4
119.08662	1.0
121.05072	2.3
121.06570	1.1
125.02495	0.9
131.03493	0.8
135.11795	2.0
137.09724	6.1
145.02925	2.6
159.11757	2.1
161.04451	1.6
161.09706	3.4
163.07599	3.2
169.01439	0.9
177.12874	1.2
179.10805	9.5
181.08687	5.1
187.55646	0.9
195.10431	1.1
197.11847	17.8
198.12103	1.2
221.11853	1.2
223.09758	3.6
241.10799	13.0
242.06870	0.8
242.11116	0.7
251.25468	0.7
265.09268	12.8
266.09387	1.1
283.11780	4.9
301.29770	0.8
313.13040	1.0
343.13962	5.8
357.19235	1.3
401.18259	1.0
403.16174	7.7
406.16312	0.8
427.19498	2.6
427.25354	0.9
427.55096	0.8
429.17816	5.6
443.14694	0.8
469.57327	0.9
471.18481	1.9
489.19745	100.0
490.20013	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	489.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88114	0.4
56.61974	0.4
59.01372	1.7
61.98819	0.7
71.01369	0.6
74.18521	0.5
85.02921	0.5
89.02444	0.5
89.67502	0.4
93.03468	0.6
101.02439	0.8
110.58770	0.5
113.02473	0.4
118.76476	0.5
123.04530	3.2
132.02161	0.5
133.02942	3.6
135.04497	0.6
149.02444	1.1
163.04099	0.5
177.01970	1.9
179.03561	0.9
190.02756	1.0
191.03491	1.6
193.04985	1.1
199.07674	1.1
211.07674	1.7
227.07140	2.0
239.07152	2.9
240.04268	0.5
241.05020	2.1
255.06625	22.5
256.06931	1.8
267.06677	0.7
268.03854	0.7
269.04523	0.8
283.06131	44.0
284.06686	5.1
299.09357	0.9
311.05618	100.0
312.06281	28.1
313.06723	1.9
326.07953	54.7
327.08682	36.5
328.09079	3.2
362.08368	0.4
369.09991	0.6
488.35071	0.6
489.14041	68.4
490.14401	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	489.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61138	4.4
75.28548	4.0
98.68388	4.7
99.31983	4.1
99.92573	16.6
112.59438	4.3
116.92062	7.1
116.92867	100.0
117.92896	5.4
141.82065	4.3
142.92242	4.3
372.69150	4.2
489.10956	6.2
489.35818	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94033	2.6
53.84629	2.9
62.95202	3.2
69.62248	19.1
78.19849	3.9
97.74519	3.2
98.20599	5.9
99.92588	11.5
113.96606	2.8
116.92867	100.0
117.92885	5.3
118.90019	3.1
123.15345	2.8
298.36285	2.9
405.26523	3.1
489.26572	7.0
489.36090	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	489.18
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	18.1
59.01383	17.3
59.70021	1.4
61.30122	1.3
61.98833	8.4
66.01581	1.1
71.01382	16.3
71.60643	1.9
72.99294	1.4
73.02943	3.8
79.17785	1.1
80.40986	1.2
85.02510	1.2
85.02934	6.9
87.00885	10.8
89.02467	8.2
96.96002	2.8
97.02979	1.3
101.02448	9.2
102.98603	93.8
103.98951	2.5
113.02493	5.9
117.05577	4.0
119.03493	3.7
120.99640	3.2
123.00858	1.8
125.02438	3.8
137.09741	1.8
145.02956	1.9
151.00388	1.4
161.04504	4.6
163.03996	1.9
169.01476	1.6
177.01994	2.2
191.05629	3.0
195.02985	1.6
249.06161	5.4
255.02795	1.5
256.03748	1.7
267.15958	1.8
283.04938	100.0
284.03156	4.2
284.05621	3.4
285.04025	4.1
294.11276	1.3
489.09439	2.0
489.20685	6.1
489.31805	1.4
495.99216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18226	0.2
59.01365	0.7
71.01371	0.3
96.95977	0.3
101.02477	0.3
102.83916	0.3
111.00867	0.3
125.02444	0.6
133.02936	1.7
134.03763	1.7
135.04570	0.4
149.02431	0.7
150.03177	0.6
175.03979	0.5
176.04677	0.3
177.01930	2.6
178.02687	0.3
179.03531	0.5
179.05490	0.2
209.99409	0.3
241.04951	0.4
255.06572	0.6
267.06750	0.5
269.04507	0.5
283.06110	7.2
284.06754	1.6
295.06097	0.3
311.05630	10.8
312.06403	78.2
313.06775	7.1
326.07986	1.7
327.08740	100.0
328.09061	9.3
344.05161	0.4
395.29471	0.4
451.23294	1.0
489.14041	26.9
489.32202	1.9
490.14478	3.7
490.32681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1402
Annotation	Isoorientin 7,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01867	0.8
57.03439	1.0
58.00588	0.6
58.23201	0.4
59.01096	1.1
59.01384	16.3
61.98823	2.9
67.01895	0.9
69.03452	0.6
69.54244	3.9
69.97269	0.5
71.01392	11.7
72.99299	1.7
73.02944	1.8
75.00863	0.8
79.01895	0.6
83.01380	1.8
85.02962	4.7
85.55228	0.6
87.00876	1.8
89.02460	4.6
95.01402	2.6
96.96019	1.4
97.02953	1.2
99.00922	0.8
101.02451	6.0
101.06072	0.5
101.76138	0.6
107.01385	5.2
111.00874	2.2
113.02452	4.1
117.03475	9.5
119.03502	2.1
121.02966	0.9
123.00903	11.2
123.04547	0.7
124.01682	1.0
125.02455	27.2
126.02773	1.2
127.00310	0.9
136.98839	1.3
137.02461	0.8
139.00349	5.1
139.03961	1.2
140.01196	4.2
141.01944	1.8
143.03467	0.6
145.02998	0.9
146.03694	0.6
151.00389	7.1
159.04500	0.9
160.05322	1.1
161.04576	0.7
165.02040	0.5
168.00703	3.1
169.01440	32.7
170.01759	1.0
174.03212	2.0
175.07643	15.6
176.03497	0.8
176.08067	0.8
183.13820	1.3
189.05605	4.7
197.11794	0.8
211.13438	1.1
233.99323	0.6
253.03610	0.7
266.05801	4.6
267.06396	0.7
267.19632	2.2
277.80145	0.5
281.08090	0.7
293.04431	1.2
294.05270	5.1
295.06155	5.8
296.06903	2.7
297.06036	0.7
309.02023	0.7
309.07687	17.8
310.08182	2.5
311.05762	0.7
311.09222	1.8
311.22131	0.6
313.05740	5.7
327.08667	1.6
327.21689	1.4
369.09747	2.5
429.11896	3.0
451.23285	0.7
489.14044	100.0
489.26443	13.9
490.14325	14.5
490.27856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63936	0.3
59.01386	0.9
61.98835	100.0
70.04168	1.4
71.01392	0.6
91.77499	0.3
101.02464	0.7
103.54725	0.3
125.02474	0.5
129.18582	0.4
159.11887	0.3
178.87737	0.3
211.25424	0.4
233.38396	0.3
278.54831	0.3
298.99365	0.3
350.89621	0.4
488.19461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01371	2.7
59.89758	0.9
61.98815	1.3
63.47297	0.8
68.99804	3.0
69.03451	1.6
69.43285	0.8
69.56436	1.5
69.56843	4.6
71.01378	4.2
71.63120	0.7
72.99252	1.4
73.02952	1.3
75.00867	3.1
81.03432	0.8
83.01363	2.3
85.02951	7.1
87.00873	2.6
89.02415	1.1
95.01390	1.7
99.00882	5.8
101.02433	2.5
102.64178	0.7
107.01395	1.2
111.00861	3.4
113.02452	8.5
113.99590	18.5
114.99799	0.7
115.00391	8.0
117.05572	1.9
120.61883	0.8
123.00864	1.1
125.02448	7.2
127.00379	4.0
129.01898	3.2
139.00328	2.3
141.01921	1.3
151.00325	1.0
153.01888	0.8
156.00624	1.4
157.01433	8.8
161.02432	1.6
168.00656	1.3
169.01424	9.0
169.65387	0.8
174.01688	16.8
175.02368	2.6
189.01990	1.1
196.29759	0.9
211.02420	2.4
249.04097	1.3
271.04572	2.8
275.01862	2.9
277.02621	1.7
277.05624	27.4
278.05792	2.8
300.99994	3.8
319.06699	3.1
331.06659	1.1
337.07782	100.0
338.08093	7.7
429.06531	2.7
471.07825	1.8
489.08752	57.2
490.09100	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	489.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30950	0.5
52.14464	0.5
57.03489	0.6
57.42059	0.5
59.01387	6.6
59.24632	0.5
61.98873	2.0
68.99852	0.6
71.01392	3.2
71.05055	1.5
71.29836	0.6
71.61224	0.7
71.61595	0.8
72.99372	0.7
73.03003	0.6
81.03489	0.6
85.02974	0.7
87.00893	1.1
89.02497	1.6
93.03474	4.6
95.01420	1.0
95.05058	0.7
96.96043	2.3
97.02988	0.8
101.02499	2.0
104.47556	0.5
107.01382	0.8
109.03002	0.9
111.04536	1.2
113.02480	1.2
117.05593	5.7
119.03515	0.6
121.02971	4.2
123.00937	2.7
124.01716	1.7
125.02469	6.4
125.33164	0.6
137.02484	1.2
137.33528	0.6
138.03239	1.5
139.04024	100.0
140.04367	3.0
145.02904	0.7
149.04634	0.6
151.00372	1.5
161.02394	1.1
165.01903	1.0
168.00543	0.9
168.42757	0.5
169.01440	6.2
176.03470	1.3
178.05870	0.6
182.02251	1.1
183.02998	97.8
184.03333	4.8
209.00870	0.8
211.02452	2.1
227.01897	1.6
267.15945	3.3
271.04507	2.1
275.01825	0.9
300.99844	1.0
313.05423	1.7
327.07220	2.6
337.14703	1.0
343.06693	0.7
415.01923	0.7
427.22900	0.8
445.13126	2.1
489.01447	0.8
489.11932	19.0
489.18591	3.7
489.26862	1.0
490.12039	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
59.01380	3.9
61.98838	5.1
65.00326	0.7
69.03422	1.6
71.01390	4.8
71.07706	0.9
72.99297	1.3
73.02928	2.2
73.71677	0.6
79.01918	0.8
83.01376	1.8
85.02956	5.9
87.00876	0.9
89.02432	1.6
93.03449	0.8
95.01375	4.8
97.02940	1.7
99.00827	0.8
101.02451	6.4
107.01397	4.4
109.02964	0.9
111.00871	2.0
113.02458	16.0
113.03226	0.9
117.03432	0.5
117.05535	0.8
119.05000	1.7
121.02934	0.7
123.00892	17.7
124.01662	0.8
125.02454	24.8
125.34940	0.5
127.00392	0.5
135.04492	0.7
136.98810	0.7
139.00386	7.3
139.03986	0.9
140.01184	2.8
141.01921	2.0
145.02927	0.9
149.02480	0.9
151.00380	9.7
151.03960	0.8
152.53929	0.6
153.01843	0.6
157.01430	11.5
161.02428	1.2
163.03978	2.0
165.01811	0.7
165.05496	0.6
166.99841	0.6
168.00632	4.5
169.01436	38.8
170.01775	1.7
173.02335	1.0
175.06129	4.1
177.01930	0.9
185.02429	0.7
189.01982	1.3
190.91948	0.6
191.03497	0.9
193.01501	0.7
201.01913	0.6
203.03529	0.7
211.02475	12.9
211.07629	1.8
217.01340	1.4
229.01416	1.3
231.03023	0.9
245.00925	0.9
247.02365	0.9
258.01599	0.6
261.00485	0.6
271.01740	1.2
271.04602	19.7
272.04849	1.1
273.00223	1.2
275.01886	3.1
276.02203	0.6
287.74625	0.6
299.01624	0.7
300.99850	4.9
303.00546	0.7
313.05618	7.3
316.99219	1.4
331.06778	5.3
332.07150	0.9
337.11368	0.8
429.10287	1.9
453.10327	1.2
459.11499	1.0
481.02975	0.8
488.54294	1.1
489.12442	100.0
490.12805	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	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
56.01435	0.3
57.03445	0.5
58.00592	0.5
60.99296	1.0
61.98831	0.3
69.43627	0.3
98.19874	0.6
114.11403	0.3
138.63431	0.3
144.26457	0.3
153.38429	0.3
187.69128	0.3
267.63718	0.4
337.25623	0.4
351.27057	1.3
369.28104	0.7
377.28558	0.9
393.31772	1.7
394.32083	0.5
401.27133	0.6
405.31583	0.5
423.32742	3.5
424.33078	0.5
437.30457	0.5
439.32846	0.4
441.33749	0.8
447.19925	0.4
467.31754	0.7
469.33633	1.6
487.34363	100.0
488.34738	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03455	0.2
58.15688	0.2
59.01376	0.7
59.32510	0.2
61.98827	0.7
63.32302	0.2
71.01383	0.6
71.05031	0.2
73.02948	0.4
73.19061	0.2
85.02962	0.3
90.92631	0.2
97.06589	1.0
98.20691	0.4
101.02472	0.2
113.02499	0.2
125.02441	0.4
125.09753	0.3
153.05591	0.4
249.13739	0.2
393.31604	0.3
394.72650	0.2
405.32092	0.3
423.32797	0.4
425.34564	0.5
451.23941	0.3
487.34369	100.0
488.34717	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50370	1.2
59.01366	5.1
61.98837	20.5
67.01865	1.4
70.48209	1.3
70.48548	3.1
71.01382	8.3
79.95723	1.2
83.01394	3.1
87.00884	2.6
89.02469	1.6
95.01370	1.8
96.95990	1.7
97.02956	1.5
101.02424	3.5
104.80442	1.1
107.01381	5.3
108.99495	1.2
111.00894	4.5
113.02438	1.8
117.03457	1.4
119.05040	1.9
121.07659	1.3
123.00871	8.5
125.02451	46.7
131.48274	1.4
134.02541	1.8
135.04504	1.4
139.00381	3.7
140.01167	2.1
145.02959	3.9
146.03279	1.9
150.06812	1.2
151.00395	6.4
151.04001	1.5
161.02403	3.2
163.04007	2.3
168.00659	3.8
169.01427	79.0
170.01732	3.5
179.03499	1.7
179.40723	1.2
189.01875	1.5
190.02473	1.6
191.03519	1.7
211.02452	4.7
212.02731	1.6
217.01466	1.5
228.11243	1.2
229.01398	1.4
241.03426	4.2
249.03990	1.5
271.04614	3.8
275.01938	4.3
299.99152	1.2
300.99945	7.2
302.00403	2.6
312.34445	1.1
313.02182	1.8
313.05682	21.3
314.06085	1.8
316.99182	1.3
324.50485	1.4
331.06558	1.5
358.39264	1.3
414.01486	1.4
425.07260	100.0
426.07657	10.1
452.03024	1.7
488.14700	8.5
489.15887	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	488.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08443	1.3
52.35426	1.2
53.56297	1.1
59.01371	2.1
62.91823	1.1
65.04442	1.4
67.05083	1.1
68.51913	1.1
69.87968	1.2
70.92677	3.5
71.01402	1.2
74.02470	2.5
81.26324	1.1
85.02954	2.0
89.02458	1.6
94.24866	1.3
101.02429	1.7
102.05612	37.0
103.05955	1.3
113.35102	1.2
119.36420	1.2
125.02557	1.4
128.03546	25.4
145.01443	1.8
145.06128	3.3
146.04601	100.0
147.04887	2.4
147.40375	1.2
169.01390	2.2
175.71187	1.2
191.05605	4.8
211.02489	2.1
296.01059	1.3
337.07907	1.8
357.32932	1.3
488.11154	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17186	0.4
65.50676	0.4
67.29981	0.4
86.27879	0.4
98.19846	1.0
107.86926	0.4
115.59948	0.4
118.68942	0.5
128.29066	0.4
145.63135	0.5
377.28427	0.6
393.31613	1.2
423.32639	1.6
424.33112	0.5
487.34314	100.0
488.34653	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14063	0.3
69.63180	1.9
69.63600	0.7
76.72637	0.3
116.29379	0.4
163.92140	0.4
168.17641	0.4
227.94930	0.4
295.09149	0.4
301.70074	0.4
363.27145	0.5
367.06189	0.4
409.31088	1.0
487.34302	100.0
488.34634	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14245	0.6
55.54380	0.6
57.03388	0.6
57.88224	0.5
59.01336	0.7
60.99248	1.4
61.98761	11.1
61.99110	1.0
63.09872	0.6
69.69446	0.7
71.60438	0.9
81.03408	1.2
83.04949	0.7
85.06525	1.6
97.06603	3.9
99.04471	1.0
105.38585	0.6
107.54178	0.6
125.02381	1.3
127.03972	1.4
139.03876	0.8
151.03827	0.7
153.05586	5.8
189.12753	1.6
191.14362	1.5
198.22852	0.7
211.07880	0.6
237.14896	0.7
375.27182	0.7
377.28693	0.7
389.28433	1.8
391.30240	3.2
393.28067	1.2
402.23581	7.4
403.30011	0.7
405.31577	4.8
406.31946	0.7
407.28537	0.9
407.33282	13.9
408.33505	2.0
409.31119	1.5
421.31525	0.7
423.32846	2.3
424.27908	11.7
424.32962	0.6
425.27982	0.9
425.33673	1.5
439.31750	0.7
441.33698	14.5
442.34125	2.1
443.35483	0.9
449.30844	3.2
451.32202	18.1
452.32574	2.8
453.33752	100.0
454.34091	17.5
459.68683	0.6
467.31674	3.7
468.32101	0.7
469.33386	3.4
471.35184	1.0
485.32965	2.4
487.27896	1.3
487.34299	34.0
488.34750	5.2
497.32831	2.5
498.33145	0.7
513.32343	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.8
59.01369	0.6
65.50622	0.5
69.97763	0.8
69.98170	2.5
71.05019	0.7
88.56525	0.5
97.06586	1.6
106.62979	0.5
153.09111	0.6
163.14578	0.5
278.14975	0.7
300.63287	0.5
343.18109	0.6
387.30621	0.9
389.28461	3.7
403.29962	0.9
405.31744	0.9
406.28766	5.3
407.29462	2.2
421.31076	2.5
423.26910	0.7
423.32687	10.7
424.33026	1.6
439.28760	1.3
448.22351	0.6
469.33234	59.2
470.33643	10.5
487.34308	100.0
488.34665	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48356	0.3
53.81139	0.3
69.92680	1.3
71.04999	0.3
74.63805	0.3
98.20026	0.4
104.15891	0.4
248.30814	0.4
423.32913	0.8
425.30759	0.4
441.33096	1.8
457.20676	0.4
469.33212	8.6
470.33301	1.6
487.34329	100.0
488.34637	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.60511	0.7
60.99286	1.0
63.61743	0.6
69.92770	3.4
71.05030	1.0
85.06595	15.6
97.02954	1.8
97.06620	3.5
109.06591	0.8
111.04520	3.6
125.02474	1.0
130.97490	0.7
139.04027	1.3
153.05580	75.1
154.05914	2.6
179.03505	0.8
191.14427	2.1
195.06717	0.9
245.19002	0.7
264.45840	0.8
331.62988	0.8
374.26535	0.8
375.26486	0.8
389.28751	0.9
391.30118	3.5
405.31577	4.9
407.29233	0.8
407.33340	8.6
408.33685	1.4
409.30954	2.0
411.32980	1.1
423.32996	1.5
425.34204	1.2
437.30545	1.0
439.32043	1.6
441.33768	19.4
442.34131	2.9
443.35043	1.2
449.30624	0.7
451.32169	16.0
452.32599	2.6
453.33759	100.0
454.34097	15.2
467.31766	3.1
469.26047	2.5
469.33194	5.4
470.33414	0.8
471.34579	1.0
487.27087	11.5
487.34323	37.1
488.27328	1.9
488.34726	5.3
497.32791	1.9
498.32849	1.1
514.04218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
59.01383	11.8
61.98834	14.4
62.98517	0.4
67.01889	1.4
68.54552	0.3
68.99816	0.5
69.03452	0.7
69.55862	1.1
69.56289	1.3
71.01385	5.0
72.99300	1.2
73.02959	1.8
79.01903	0.8
79.95747	0.5
83.01379	1.4
85.02962	2.5
87.00884	1.0
89.02440	1.4
95.01375	2.6
96.96015	23.6
97.02962	1.1
98.20594	0.6
99.00867	0.7
101.02457	3.1
107.01395	13.5
111.00871	2.7
113.02454	1.9
117.03413	0.3
119.03512	0.4
123.00893	16.1
124.01698	0.6
125.02453	39.1
126.02764	1.0
127.00400	0.9
136.98807	1.2
137.02454	0.9
139.00372	5.9
139.07666	0.3
140.01169	3.6
141.01971	2.0
145.02942	1.3
151.00389	12.0
152.00735	0.7
153.01933	0.7
161.04608	0.5
163.04083	0.5
164.01215	0.3
168.00664	4.8
169.01439	62.4
170.01801	2.2
179.03615	0.4
211.02460	1.8
249.05966	0.4
255.16003	5.7
271.04633	1.3
273.11707	0.7
313.05539	1.5
317.10657	1.3
335.11691	11.9
336.11838	0.6
407.17093	14.4
408.17529	1.5
433.95139	0.4
443.30222	0.5
487.13000	21.1
487.21927	100.0
488.13394	2.5
488.22284	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	487.3057
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01381	5.6
61.98835	8.9
79.95734	5.0
85.02937	1.4
87.52953	1.2
111.00867	1.7
113.83231	1.3
121.02984	1.2
123.00881	2.7
125.02442	4.8
145.81299	1.3
149.02455	3.4
150.03217	5.9
151.00401	1.9
151.03934	1.5
165.05615	9.1
167.03479	1.3
169.01382	5.5
197.88060	1.2
211.89243	1.2
225.07680	3.3
229.01448	2.6
245.01181	1.4
259.02884	1.3
274.32553	1.2
275.02008	2.2
300.99918	5.8
380.17838	1.4
382.02594	2.3
391.03079	4.7
391.53314	3.2
451.32925	2.8
461.97409	1.7
487.11896	9.7
487.18677	11.7
487.30579	100.0
488.20236	2.1
488.30878	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03444	0.1
59.01376	0.2
61.98844	0.3
65.90930	0.1
69.25673	0.4
69.26092	0.2
71.01392	0.1
73.02960	0.1
81.03499	0.1
85.02944	0.1
87.16470	0.0
89.02423	0.1
101.02448	0.1
102.02249	0.1
107.01360	0.1
108.50660	0.1
111.00856	0.1
113.02448	0.1
122.45771	0.1
123.00922	0.1
125.02438	0.3
125.09688	0.1
151.00444	0.1
168.00656	0.1
169.01442	0.3
209.11862	0.1
213.41658	0.1
239.20801	0.1
315.01218	0.1
363.26907	0.2
379.30139	0.3
391.30099	0.2
393.31848	0.1
407.29898	0.1
409.31189	1.1
410.31741	0.1
413.01321	0.1
421.31256	0.2
451.23743	0.2
487.34302	100.0
488.34653	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03448	0.8
59.01387	5.0
61.98821	0.6
64.01112	0.6
67.01904	1.2
69.03459	0.8
69.95846	2.0
71.01378	3.6
72.99338	0.6
73.02958	1.5
79.01896	0.9
83.01379	1.2
85.02959	2.1
87.00898	1.3
89.02464	0.9
95.01382	1.6
96.99307	0.6
97.02967	1.3
99.00881	0.6
101.02467	2.7
107.01392	3.5
110.00108	0.6
111.00883	3.0
113.02458	1.8
117.05615	0.5
119.03489	0.7
119.05000	0.6
123.00895	15.7
124.01731	1.3
125.02461	13.9
126.02792	0.6
127.00394	1.2
136.98834	2.0
137.02464	1.0
139.00391	4.3
139.04044	0.9
140.01175	4.2
141.01944	1.9
151.00386	11.8
151.04012	0.6
153.01927	0.8
153.09595	0.6
154.37244	0.4
161.09790	0.6
168.00670	4.5
169.01436	17.4
170.01802	0.8
177.13167	0.5
179.03571	0.9
179.10765	1.8
181.05048	0.7
187.11317	0.7
202.75235	0.6
205.12357	0.6
265.14349	0.5
281.12479	0.8
313.05646	0.8
416.34955	0.5
443.30191	1.0
487.21884	100.0
488.22238	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04316	0.3
52.28454	0.3
52.78102	0.3
55.01867	0.7
57.03466	0.6
59.01385	4.6
59.35138	0.3
61.98826	1.8
67.01894	1.1
68.99812	0.3
69.03449	0.5
71.01387	4.0
72.99308	0.7
73.02947	1.3
79.01896	1.0
81.03448	0.4
83.01392	1.2
85.02956	1.9
85.65688	0.3
87.00890	0.8
89.02436	1.1
95.01379	2.0
97.02953	0.6
101.02443	2.5
104.35430	0.3
107.01393	4.3
110.00098	0.5
111.00892	2.5
113.02455	2.0
119.03473	0.4
123.00896	16.3
124.01665	1.0
125.02457	17.5
126.02791	0.6
127.00341	0.9
135.04488	0.4
136.98837	1.8
139.00369	5.5
139.03870	0.3
140.01187	3.4
141.02014	2.0
151.00381	11.7
152.00636	0.3
153.01929	0.7
163.04062	0.6
168.00655	4.1
169.01430	21.3
170.01778	0.8
173.15509	0.4
173.40636	0.3
177.99103	0.5
181.05017	0.6
184.86624	0.4
193.12305	0.5
211.02466	1.8
253.03532	0.6
271.04648	1.1
279.31381	0.3
313.05618	1.5
326.72079	0.3
329.14804	0.3
400.06049	0.3
413.01337	0.4
424.20886	0.3
451.23264	1.5
462.23993	0.3
487.21869	100.0
488.22244	12.6
488.29343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01384	6.6
61.98843	1.0
65.00314	0.9
67.01897	1.3
68.59460	0.5
68.99812	0.7
69.03445	0.7
69.43643	1.7
69.44066	2.9
71.01389	4.7
71.05030	1.1
72.99316	1.6
73.02949	0.8
78.95902	0.6
79.01920	0.9
83.01404	1.6
85.02964	3.4
87.00877	0.8
89.02497	0.7
95.01405	2.2
96.96052	0.6
97.02957	0.8
99.04525	1.0
101.02479	3.6
101.85757	0.5
107.01411	4.2
111.00906	3.0
112.91550	0.5
113.02467	2.0
117.03464	1.4
117.05596	4.2
119.05031	1.0
122.99994	0.7
123.00896	17.0
125.02461	22.3
127.00379	0.8
135.04454	0.9
135.11873	0.7
136.98837	2.3
137.02490	0.8
139.00377	6.1
139.04057	1.0
140.01192	3.9
141.01936	1.6
145.02977	4.0
146.03729	0.8
147.04507	0.8
151.00391	12.4
156.29018	0.6
161.04507	0.9
161.06024	0.6
168.00647	5.3
169.00006	0.9
169.01443	19.5
170.01848	0.7
175.91730	0.6
179.03589	0.8
179.07294	0.6
179.10815	5.5
197.11949	0.9
211.02505	1.4
263.07690	1.4
281.08743	1.1
281.12253	0.8
300.99893	1.9
307.08298	1.7
307.64996	0.6
313.05487	0.9
325.12881	5.4
326.13397	0.9
327.40393	0.6
410.94708	0.6
443.19281	2.2
487.21936	100.0
488.22345	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.49648	0.6
59.01384	43.2
61.98829	3.9
69.03451	0.8
70.14161	1.3
70.14568	2.5
71.01389	9.0
71.05025	20.2
72.99282	0.7
73.02946	2.5
73.52724	0.6
77.41895	0.6
85.02956	1.8
87.00874	2.4
89.02459	3.7
93.77395	0.6
95.01344	1.0
99.00931	0.7
99.04516	1.4
101.02448	6.3
111.00872	0.6
113.02454	3.9
117.05585	100.0
118.05936	2.9
119.03520	1.5
123.00899	1.0
123.04474	0.8
125.02454	2.7
138.05730	0.6
139.00502	0.6
151.00400	1.0
153.05609	0.8
159.06645	2.2
161.04523	0.7
163.11299	3.4
165.09221	1.2
169.01387	3.7
179.10732	0.9
207.10274	7.6
225.11304	0.7
237.06212	0.7
313.05612	1.5
325.13132	0.8
325.19458	1.3
335.17059	1.3
369.15533	21.3
370.15848	1.8
387.16779	3.1
487.21964	71.4
488.22357	11.0
489.93295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.8
59.01097	1.0
59.01383	19.5
61.98834	2.9
70.53421	1.8
71.01385	11.5
72.99287	1.0
78.18051	0.5
83.01399	1.1
85.02502	0.6
85.02962	3.2
87.00890	1.0
88.48447	0.6
88.98820	1.5
89.02453	11.5
95.01412	1.4
96.96016	3.6
97.02942	0.7
99.00861	1.3
101.02458	8.5
107.01389	2.8
111.00877	1.8
113.02451	5.1
117.05556	0.8
119.03500	4.8
119.05025	1.2
123.00891	7.2
124.01694	1.0
125.02458	15.2
126.02708	0.6
127.07648	1.0
135.79044	0.5
136.98808	1.0
137.06049	1.6
139.00389	2.7
139.03986	1.1
140.01149	2.6
141.01889	0.9
145.02948	0.7
151.00346	4.9
155.07150	4.3
163.04028	1.6
165.01918	1.0
168.00670	4.4
169.01425	23.3
170.01726	1.3
173.08199	4.6
183.79077	0.6
191.03476	0.7
211.02472	16.2
212.02815	0.8
229.01321	0.6
241.03403	0.8
271.04590	23.8
272.04849	1.4
275.01981	1.7
300.99899	2.3
313.05920	0.9
331.06769	1.8
335.09528	1.4
335.13458	18.4
336.13943	1.1
339.20911	0.6
389.10751	1.0
469.13562	3.2
487.14603	100.0
488.14920	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
58.00602	1.3
59.01384	24.0
61.98828	0.5
70.12581	1.7
70.12987	0.8
71.01385	14.3
72.99313	1.7
73.02946	0.7
80.80949	0.4
83.01392	1.1
85.02955	3.4
87.00882	1.1
89.02448	15.5
93.34573	0.5
95.01393	1.5
95.66737	0.5
97.02939	0.6
99.00875	0.6
101.02456	11.4
102.02815	0.5
102.45813	0.5
107.01427	2.9
111.00880	1.2
111.08141	0.8
113.02461	5.0
119.03510	6.9
123.00897	5.4
124.01665	1.1
125.02458	18.2
126.02806	0.6
127.00352	0.7
136.98874	0.9
137.58133	0.5
139.00420	2.4
140.01184	1.6
141.01965	0.6
145.03047	0.6
151.00386	3.0
153.01883	0.5
155.07137	1.8
165.01987	0.7
167.03539	0.8
168.00655	8.0
169.01437	26.4
170.01802	1.5
173.08199	2.6
188.76854	0.5
205.05017	0.6
211.02495	31.7
212.02840	1.5
241.03563	0.9
269.99542	0.5
271.04599	48.2
272.05038	2.4
296.06467	0.5
300.99942	0.9
302.00293	0.6
313.05893	0.7
323.79544	0.5
331.06763	5.5
335.13477	11.8
336.13861	0.6
424.09711	1.2
434.84409	0.6
469.13651	3.3
487.14600	100.0
488.14951	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
59.01382	7.1
61.98823	1.4
67.01880	2.2
69.03458	1.5
70.31065	3.4
71.01378	9.0
73.02934	3.8
79.01871	1.6
81.03449	2.0
83.01399	5.1
83.05042	6.9
85.02929	3.2
87.00892	1.9
89.02425	4.5
93.02865	1.4
93.03459	20.6
94.03843	1.3
95.01357	4.5
96.96004	1.9
96.96960	1.2
97.02926	2.7
99.00870	1.6
99.04491	2.1
99.82024	1.1
101.02449	2.9
106.32750	1.1
107.01390	12.2
107.05023	2.2
109.02975	6.2
111.00893	6.0
111.03816	1.7
111.04527	27.0
113.02445	4.8
119.03449	1.5
123.00896	27.1
123.04539	1.9
124.01728	2.0
125.02453	52.9
125.06084	2.3
126.02787	2.0
135.04524	2.1
136.98828	1.3
137.02440	9.9
139.00388	6.7
139.03972	2.9
140.01115	2.3
141.01918	4.0
151.00365	18.9
151.03922	2.1
152.00671	1.2
153.01892	3.5
153.05658	1.8
155.03499	13.3
165.01897	2.0
167.03488	1.9
168.00665	6.4
169.01431	100.0
170.01709	4.2
173.04565	8.2
179.03471	1.7
182.28503	1.2
193.01367	2.5
197.04529	3.1
211.02477	27.5
253.03342	2.0
257.06311	1.1
271.01813	1.7
271.04593	25.6
272.04675	1.3
275.01782	2.9
300.99823	6.5
302.00208	1.1
313.05588	7.6
331.06702	44.8
332.06909	3.9
336.99408	1.3
345.44183	1.2
404.84531	1.1
449.12741	1.7
449.57578	1.1
451.08875	7.5
469.09869	37.8
470.10092	5.2
487.10767	58.3
488.11304	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	487.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.9
57.03439	1.1
59.01385	20.2
61.98827	6.3
69.03460	1.3
69.71320	0.9
71.01372	5.1
71.96258	1.0
73.02943	1.6
75.00860	1.0
79.01888	1.2
79.95749	1.7
83.01363	1.4
85.02934	2.9
89.02439	2.0
95.01421	2.4
96.96018	48.9
97.02898	1.4
99.00856	1.3
101.02448	3.8
105.29508	1.1
107.01401	18.3
111.00877	2.8
113.02473	2.4
117.03520	1.7
123.00888	14.3
125.02456	56.3
126.02803	1.3
139.00383	5.5
140.01167	3.1
141.01964	1.2
145.02934	5.7
151.00345	11.5
163.04024	1.1
168.00635	3.4
169.01430	85.9
170.01700	3.1
179.07106	2.0
193.06615	4.5
211.02486	1.7
212.02687	1.1
255.15979	9.2
271.04614	1.3
307.08340	1.5
313.05551	1.2
317.10580	2.6
318.10944	1.2
335.11615	17.1
336.12088	1.7
393.19617	1.3
407.17108	25.1
408.17429	3.5
417.78403	1.2
487.12830	39.2
487.21725	100.0
488.13199	3.4
488.22122	11.3
512.67670	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	487.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
62.45709	2.2
69.51442	12.8
69.51857	5.4
75.48778	2.1
93.99622	2.0
99.00887	2.9
101.02445	4.4
117.18476	2.2
123.00854	2.9
133.81783	2.4
143.45090	2.1
160.64468	2.1
169.01402	4.6
175.02217	2.1
175.50421	1.9
193.01274	2.3
195.04381	2.4
225.78532	2.3
253.04996	3.2
264.14825	2.1
281.04269	2.4
283.02426	2.5
285.00421	4.7
286.01270	2.9
294.67783	2.2
297.00507	5.9
297.03922	2.8
299.99219	11.0
300.99875	3.4
307.02637	2.6
309.04037	3.0
312.99951	14.6
313.03064	2.7
314.00735	13.2
315.01410	48.1
315.69495	2.1
316.01825	4.5
322.01077	6.1
323.02020	17.7
324.99963	30.5
325.03604	5.7
326.00415	4.2
327.01422	7.0
339.01205	5.7
340.02008	2.7
341.02991	10.7
351.01126	3.2
352.99362	38.3
353.03122	8.3
353.99649	2.8
355.04608	65.6
356.04993	6.2
369.02594	10.9
381.02536	14.0
397.01910	4.3
399.03479	13.3
413.01483	100.0
414.01926	10.8
443.02609	34.5
444.03027	3.6
459.01962	4.1
469.00540	7.1
487.01544	90.4
487.18335	6.0
488.01923	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.7
59.01385	27.0
61.98841	15.9
65.00342	3.8
69.74925	17.6
69.75335	6.8
71.01395	26.0
72.99319	5.4
73.02951	4.7
83.01392	5.3
85.02950	11.3
88.98833	8.6
89.02440	19.8
95.01411	22.5
96.11952	3.6
96.96025	13.3
98.20568	5.8
99.00893	5.0
101.02460	17.4
107.01402	10.4
109.02957	5.7
111.00887	6.3
111.04516	7.3
113.02473	15.0
114.05595	7.2
117.03437	4.2
119.03476	6.4
119.05031	6.5
123.00915	43.7
124.01666	6.3
125.02454	78.9
125.03309	7.7
128.07185	11.9
133.02948	7.9
137.02419	8.4
139.00383	5.9
145.02966	17.8
147.04500	8.1
149.02469	5.7
151.00381	10.7
155.03546	4.8
156.06676	4.2
157.02879	5.3
159.04518	11.3
161.02501	14.7
163.04015	12.4
165.01930	4.4
168.00665	15.9
169.01416	77.2
170.01727	7.8
173.02425	11.8
173.08270	4.7
174.07695	32.9
175.03976	17.5
176.63611	3.9
177.01978	9.5
189.01929	15.7
191.03554	21.1
200.01129	5.2
201.01985	19.5
203.03503	26.3
205.01462	7.9
211.02481	43.0
213.01845	6.4
217.01430	6.8
219.03001	6.4
228.00658	5.6
229.01425	19.7
230.02132	11.1
231.02995	27.9
232.03455	5.6
245.00879	17.4
246.01485	4.4
247.02565	11.3
248.03214	25.1
249.04057	100.0
250.04420	9.3
257.00854	18.3
258.01593	7.6
261.00171	4.8
271.04590	48.9
273.00436	17.0
274.01163	21.3
275.01978	69.9
276.02417	6.4
283.99820	5.2
291.01508	7.3
299.02185	4.5
299.99084	8.1
300.99951	66.1
302.00171	12.1
313.05475	6.2
314.05969	6.5
331.06815	8.8
335.09872	9.1
335.13565	13.2
336.13016	41.3
381.01993	5.2
389.11292	4.2
413.01511	6.0
419.03915	4.4
426.07730	8.0
443.03903	7.1
449.13013	43.2
450.13513	6.5
451.13452	4.6
465.03851	12.4
465.54214	4.9
466.02652	5.4
466.52734	5.0
477.08130	9.2
480.00189	4.2
487.02823	17.3
487.15198	67.5
487.53247	6.5
488.14230	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96725	0.9
57.03431	1.8
59.01364	1.1
61.05669	0.9
61.98834	93.2
69.54430	7.1
81.03452	4.6
83.05019	1.7
88.88427	1.1
88.99533	1.0
109.06599	1.1
125.02457	13.9
127.04034	1.1
138.87878	1.1
141.12839	1.2
153.05580	1.4
166.84863	1.0
328.57651	1.0
337.27567	1.6
401.23239	5.8
402.23593	1.5
423.27554	100.0
424.28012	13.2
424.33060	2.3
441.33673	3.3
442.34192	4.9
443.36017	1.0
485.32779	2.5
486.33154	20.5
487.27762	1.2
487.34314	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	487.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
61.14455	1.3
61.98824	6.6
71.01386	9.3
71.60175	2.7
72.99290	2.5
73.02952	3.1
78.95869	1.4
79.95714	2.8
83.01402	1.8
83.05023	1.7
85.03002	3.2
88.98802	6.6
89.02433	5.3
95.01351	2.3
96.32881	1.5
96.96013	86.3
99.00874	5.0
101.02422	5.8
107.01373	3.7
109.02969	2.5
110.02505	1.4
111.00874	2.0
111.04520	11.7
113.02443	3.4
117.03466	1.7
117.05576	1.7
119.05048	4.2
123.00880	9.3
125.02465	20.5
127.00309	1.6
136.98959	1.4
137.02444	3.0
137.49767	1.5
138.03206	2.3
139.00388	3.3
140.01141	1.6
145.02986	3.8
149.02414	2.0
151.00351	4.3
153.05565	2.6
161.02423	2.2
163.04019	4.1
168.00589	3.5
169.01410	22.8
175.03903	1.8
181.01436	3.5
187.03894	2.1
193.01489	1.4
200.01126	1.6
203.03471	1.7
209.06029	1.3
210.58681	1.8
211.02473	10.3
213.01871	2.2
225.05647	1.7
227.03409	1.8
229.01349	1.5
230.02141	1.5
231.02911	1.9
239.03246	1.4
240.04103	1.5
243.02783	2.2
246.68642	1.6
253.05038	3.0
255.06580	2.9
257.00977	1.6
258.01630	1.6
267.02985	1.9
269.00760	2.5
271.04492	12.2
275.01923	5.6
283.02591	2.2
283.05978	3.6
285.00452	4.1
289.07108	3.2
295.02469	1.6
297.00348	5.3
297.03729	2.2
299.99185	14.2
300.99927	11.8
309.00711	1.8
309.04056	3.5
312.02634	3.0
312.99893	10.1
313.05649	3.0
314.00626	12.9
315.01437	42.5
316.01932	3.0
322.01239	3.1
323.01959	23.0
324.99826	30.1
325.03540	6.6
326.00427	5.0
327.01337	8.5
327.05112	4.1
331.06662	3.3
335.01813	1.7
335.09891	13.3
335.13400	3.0
336.10052	1.7
339.01328	5.2
340.01993	2.3
340.99399	1.7
341.02982	9.1
351.01486	2.8
352.99344	38.6
353.03107	9.0
353.99475	2.6
354.03342	3.0
355.04568	66.3
356.04843	7.0
363.01138	1.7
369.02481	13.7
381.02496	13.3
382.02905	2.9
385.07773	2.1
389.10788	11.8
397.01822	5.3
399.03561	13.8
400.03665	2.4
413.01501	100.0
414.01865	10.3
425.01312	4.2
425.06973	3.0
443.02640	20.9
444.02963	2.9
459.02066	4.9
469.00552	7.8
487.01492	89.1
487.10468	18.5
487.14774	15.8
488.01672	12.1
488.13477	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	486.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01384	5.4
61.98834	100.0
66.54434	0.3
66.92040	0.3
67.01906	0.3
69.03467	0.4
71.01393	2.0
72.99326	0.4
73.02957	1.0
79.01907	0.3
79.95754	0.4
83.01417	0.3
84.12960	0.3
85.02968	0.8
87.00880	0.5
89.02452	0.4
90.93860	0.3
95.01425	0.7
95.05059	0.3
96.96015	12.3
97.02997	0.4
99.00889	0.3
101.02454	1.3
107.01400	4.7
111.00907	0.6
112.98835	0.3
113.02481	0.8
116.49447	0.3
117.05653	0.5
123.00904	3.8
123.04557	0.3
125.02455	15.2
135.04634	0.3
135.08168	0.5
139.00357	1.5
140.01173	1.0
141.01955	0.6
145.02954	0.5
151.00414	2.6
163.04202	0.4
168.00696	0.8
169.01440	22.6
176.03580	0.4
179.10834	0.6
211.02467	0.6
234.40649	0.3
255.16020	3.3
271.04834	0.5
273.11740	0.4
281.12491	0.6
299.99203	0.6
300.99814	0.4
317.10797	0.9
335.11688	6.5
340.09100	0.4
352.08759	0.3
407.17123	8.1
413.01907	0.3
486.13275	0.8
486.20886	1.8
486.35513	0.3
486.63278	0.4
487.13153	10.3
487.22098	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24899	0.6
57.03457	1.9
59.01400	1.4
61.98839	100.0
69.69588	4.1
81.03467	5.6
83.01414	0.7
83.05031	1.1
91.64840	0.6
99.04501	1.2
122.03683	0.8
123.04553	0.9
125.02453	13.5
125.06076	0.6
126.02849	0.6
126.58395	0.6
127.04037	2.7
139.11296	0.6
139.36986	0.6
141.12900	2.2
153.05473	0.8
153.11374	0.6
167.03543	0.9
202.51088	0.6
235.13402	1.0
237.85045	0.7
278.63196	0.6
319.11874	0.7
337.27472	1.7
345.21124	0.6
377.27112	1.0
383.22064	0.9
401.23373	15.4
402.23618	1.8
423.27554	98.3
424.27884	12.9
486.21027	1.0
486.33221	1.5
487.34387	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	486.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83426	0.5
57.03451	2.5
59.01387	1.3
61.98835	100.0
71.37759	1.1
81.03470	5.3
83.01382	1.2
83.05013	1.8
85.02926	0.9
90.53787	0.6
98.91934	0.6
99.04525	1.9
107.28859	0.6
113.02430	0.7
122.03721	0.6
123.04516	1.1
125.02464	13.3
127.04032	4.0
141.12860	2.5
151.04008	0.7
152.04855	0.9
153.05612	1.9
167.03523	1.2
168.29332	0.6
169.12389	0.7
185.10799	0.6
221.76608	0.6
235.13393	0.8
250.23376	0.7
337.27463	1.9
341.21234	2.0
342.21735	0.8
345.20657	1.0
355.22675	0.9
357.24445	1.1
359.22263	1.0
377.27054	1.1
379.28394	0.9
383.22119	0.7
401.23355	24.5
402.23782	2.9
423.27542	90.0
424.27878	13.0
468.32364	0.7
486.21121	2.7
486.33270	4.0
487.27744	0.9
487.34445	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	486.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03446	2.2
59.01381	3.0
61.89358	0.6
61.98839	14.4
62.07729	0.7
63.98085	0.7
64.99474	0.7
69.58818	4.4
71.05025	4.8
73.02977	0.9
81.03466	1.3
83.05029	4.7
85.02967	3.0
95.01391	1.2
97.06612	2.6
99.04534	9.5
105.08472	0.8
107.05051	1.6
109.02964	4.6
109.06639	1.1
111.04533	1.7
111.08208	0.8
113.02490	1.4
123.04536	2.2
125.02454	1.9
125.06087	2.0
127.04031	17.4
137.02472	1.4
139.32297	0.7
151.04054	3.9
152.04828	3.7
153.05579	4.9
165.05553	1.0
167.03554	3.6
169.05069	2.6
178.06360	0.8
196.96793	0.7
231.17508	1.0
273.18625	3.7
301.22061	0.8
315.23181	1.6
341.21255	7.9
342.21759	3.5
343.19153	1.1
345.20685	4.6
355.22952	1.2
357.20584	0.9
357.24365	3.8
359.22366	3.8
360.22745	1.0
383.22382	3.6
387.28949	0.9
389.23563	1.0
401.23364	100.0
402.23666	13.5
405.31570	1.2
407.33307	1.4
423.27692	2.8
441.33801	3.3
442.34201	1.2
443.35223	1.2
451.32254	2.9
453.33841	14.0
467.31683	1.1
468.32013	1.6
469.33118	0.9
485.32849	10.8
486.21475	10.2
486.33063	23.9
487.21414	2.1
487.27744	1.3
487.34531	16.1
497.32828	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	485.3275
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
61.98827	0.3
75.93228	0.3
86.63272	0.3
87.58637	0.3
108.73856	0.2
124.90770	0.3
180.14217	0.3
377.28513	0.3
389.28381	0.3
407.29733	1.2
439.32172	1.0
467.31360	0.3
471.31104	1.1
485.32736	100.0
486.33096	15.1
486.38339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3638
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.89143	0.4
60.99308	0.7
61.98835	2.4
63.59914	0.4
66.44833	0.4
71.05029	1.3
97.06599	6.3
98.20646	0.9
109.37572	0.4
125.02477	0.7
137.09694	0.7
153.05605	1.0
191.14447	0.7
196.69157	0.5
224.52606	0.4
267.41998	0.4
278.23108	0.4
304.33978	0.4
373.25214	0.4
374.25974	1.1
389.28293	2.1
390.28625	0.6
391.30154	3.9
392.30545	0.6
401.23276	0.4
403.24820	1.1
405.26520	0.6
405.31680	7.8
406.32095	1.2
407.33249	11.4
408.33539	1.6
422.26489	2.3
423.28735	0.6
437.30582	1.7
439.32089	1.9
441.33768	9.9
442.34161	1.6
451.32211	38.5
452.32565	6.7
453.33774	100.0
454.34097	16.9
454.40469	0.7
462.47766	0.4
471.34882	4.2
477.78564	0.5
480.69345	0.4
485.36688	14.5
486.36948	3.2
497.32779	10.4
498.33060	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	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98792	0.9
62.46630	0.5
65.59232	0.4
67.31491	0.4
69.63741	2.6
85.83149	0.5
95.18667	0.4
102.70283	0.4
113.43704	0.4
135.42206	0.4
147.71301	0.4
154.23355	0.5
221.59354	0.4
285.77045	0.4
297.12515	0.4
305.21140	2.7
389.65451	0.4
405.27991	0.7
409.27478	3.4
410.27890	0.6
421.31302	1.4
422.26208	0.6
423.28717	1.9
425.30573	1.9
439.32172	59.8
440.32568	8.0
441.33911	2.8
485.32767	100.0
486.33105	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84600	1.0
57.03467	1.6
59.01389	13.9
59.17507	1.1
61.98838	2.9
71.01393	6.3
73.02952	2.2
79.95747	1.8
83.01406	1.7
85.02964	3.3
87.00887	1.1
89.02457	3.0
90.50919	1.0
96.96024	18.4
96.96950	1.1
97.06584	5.3
98.95622	9.6
98.96405	2.0
101.02460	4.0
107.01387	2.3
111.00909	1.1
113.02458	4.0
117.05589	1.7
119.03539	1.2
120.98683	0.9
121.06666	1.1
122.03736	1.0
123.00902	4.0
123.04620	1.2
125.02478	9.0
135.04568	2.2
136.05309	70.1
137.05699	3.2
139.00348	1.7
139.04033	1.6
139.07640	6.5
145.02914	1.1
147.08188	2.0
149.06097	8.8
150.06871	33.7
151.00380	3.2
151.01547	0.9
151.07458	2.3
157.08710	47.3
158.09062	1.8
161.04564	3.5
161.05890	1.0
163.07710	1.3
164.08405	2.5
165.09215	90.3
166.09576	4.0
168.00684	1.4
169.01405	9.8
171.01843	1.3
177.01842	1.1
211.02448	2.4
243.10275	1.2
246.16446	1.2
261.18631	6.8
271.04648	3.5
272.05115	1.0
273.00797	1.0
275.02216	1.1
305.17578	18.1
308.16397	2.0
313.05646	2.0
322.17743	5.0
323.18637	95.1
324.19064	8.2
333.15793	1.2
337.20233	1.7
365.19675	2.5
413.01569	2.1
422.11752	1.6
425.22064	1.5
485.00339	1.8
485.24393	100.0
486.17273	1.9
486.24411	16.0
507.35794	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	485.3273
Annotation	Iridotectoral B
Peak:m/z	Relative Intensity
57.03463	0.9
61.98825	1.0
71.60088	0.6
71.60524	1.2
76.96289	0.7
93.87257	0.6
94.65728	0.7
98.81686	0.7
125.02431	0.7
139.04050	1.0
307.24445	0.8
409.27521	2.0
421.31625	0.9
422.26199	0.8
423.29095	2.5
425.30740	1.1
439.32172	40.1
440.32568	6.0
441.34061	4.0
453.30197	1.0
467.31918	1.3
485.32773	100.0
486.33173	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	485.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99648	1.6
57.03437	4.3
58.00585	2.2
59.01385	34.2
61.98828	5.5
69.03471	1.5
69.74045	7.4
71.01385	29.9
71.05027	18.4
72.99308	3.9
73.02959	5.8
75.00854	1.7
83.01402	2.9
85.02950	6.5
87.00880	2.5
89.02431	13.9
95.04976	2.0
96.96008	7.0
97.02962	1.7
98.19964	2.7
99.00856	2.1
99.04527	33.0
99.65739	1.4
101.02454	13.5
101.06072	1.5
111.04565	2.5
113.02433	10.5
113.06085	2.4
117.05592	86.3
119.03481	4.3
121.10181	2.0
123.00887	1.8
125.02458	5.8
131.07152	1.7
133.10228	3.6
133.64377	1.7
135.11806	8.9
139.04059	1.7
149.09735	2.1
159.06677	1.7
159.08157	3.7
159.11783	2.7
161.04506	2.1
161.09746	13.1
169.01373	3.1
175.11255	2.1
179.10793	41.9
180.11125	1.8
193.12311	7.7
203.10835	9.8
221.11801	8.8
223.09778	14.2
237.62524	1.6
260.85745	1.6
265.10825	3.8
266.50812	1.6
271.04620	1.6
279.10858	54.7
280.11221	3.5
300.99667	1.6
325.12869	3.3
353.19992	1.9
367.14090	3.4
376.70401	1.8
385.14963	4.3
407.29654	2.3
430.04190	1.6
441.21307	74.1
442.21515	9.8
467.33954	2.7
485.20453	44.5
485.32718	100.0
486.20428	4.9
486.33350	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	485.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77782	0.6
55.01878	0.5
57.03446	0.8
58.00581	0.7
59.01386	12.2
61.98836	4.5
67.01891	1.2
69.03445	0.6
69.65029	3.3
71.01388	8.5
71.05007	1.0
72.99317	1.6
73.02960	2.3
76.00619	0.6
79.01898	1.8
83.01394	2.2
83.05026	0.6
85.02960	3.3
87.00887	1.5
87.04543	0.6
89.02466	3.7
90.19783	0.7
95.01382	3.1
96.96024	4.4
97.02935	0.8
99.00893	0.6
99.04564	0.7
101.02452	5.1
102.59436	0.6
107.01392	6.3
110.00111	1.0
111.00882	3.9
113.02468	3.4
117.05560	2.6
119.03491	1.1
122.10765	0.5
123.00898	18.1
123.04517	1.1
124.01675	1.9
125.02462	33.7
125.06081	0.6
125.09703	1.1
126.02794	1.2
127.00408	1.2
131.03557	1.1
136.98814	2.3
139.00394	7.7
139.04019	1.1
140.01178	5.9
141.01944	2.5
141.34990	0.5
149.02502	0.7
151.00378	9.6
151.07635	0.6
153.01950	1.3
153.05568	0.7
161.04527	1.2
167.03564	1.3
168.00659	9.3
169.01442	46.2
170.01823	2.7
179.10770	2.3
211.02498	42.1
212.02826	1.6
225.11397	1.1
241.03635	1.7
243.19621	0.8
271.04599	73.4
271.35107	0.6
272.04968	4.3
273.05396	0.7
313.05777	1.4
323.15274	0.7
331.06693	8.2
332.07074	1.2
351.88275	0.7
353.19873	1.7
423.20160	4.1
425.08688	0.6
441.21091	0.8
467.33649	1.1
485.20319	100.0
485.32532	58.0
485.71780	0.6
486.20569	12.3
486.32770	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	485.2034
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
55.01904	1.2
57.03442	1.4
57.11649	1.4
59.01387	18.5
59.74437	1.0
61.98837	36.1
62.36200	1.1
62.51839	1.0
69.03441	1.6
71.01387	14.4
71.05029	10.9
72.99278	1.1
73.02959	2.9
79.01879	1.4
81.44637	1.0
82.50785	1.3
83.01378	3.8
85.02943	4.4
87.00858	2.5
89.02454	6.6
95.01367	2.1
96.96021	32.4
97.02916	1.7
98.19782	1.9
99.04525	7.2
101.02457	9.3
101.06078	1.7
105.86867	1.0
107.01408	3.5
111.00893	3.3
113.02438	4.8
117.05592	49.2
118.05898	1.3
119.03458	1.2
123.00903	9.8
124.01694	1.4
125.02460	25.9
125.09698	1.4
127.00290	1.3
131.03494	1.6
135.08099	1.3
135.11801	3.7
139.00363	2.8
139.03952	1.2
140.01155	2.2
151.00340	4.1
153.01921	1.0
161.04556	1.9
161.09734	4.8
168.00603	9.1
169.01434	32.8
177.12903	1.3
179.10786	18.1
193.12366	1.9
203.10800	2.6
211.02490	44.9
212.02786	2.3
221.11755	3.0
223.09837	2.9
231.10440	1.1
236.35402	1.1
243.19669	1.1
265.10773	2.1
271.04602	54.5
272.05087	1.7
279.10831	7.8
289.10715	1.1
323.15179	2.9
331.06747	4.2
341.77167	1.1
353.19672	2.4
365.16266	3.4
367.14026	2.8
421.35638	1.4
423.20117	3.3
425.18433	3.5
441.21274	28.8
442.21341	3.4
467.33508	1.5
485.20328	100.0
486.20535	11.3
510.03586	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	485.2052
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01877	0.6
57.03452	1.2
59.01380	7.0
61.98836	2.8
65.00334	0.5
67.01905	0.8
69.03482	0.8
71.01390	6.4
71.60483	0.6
72.99330	1.2
73.02972	1.5
75.00861	3.0
79.01917	0.9
83.01419	1.2
85.02958	3.8
87.00897	1.3
88.98834	1.1
89.02445	3.3
93.03497	0.9
95.01416	2.7
95.05106	0.4
96.96020	6.4
97.02996	1.0
97.59680	0.5
98.95602	4.7
98.96254	0.5
99.00887	1.1
99.04557	0.5
101.02432	4.5
105.93501	0.5
107.01398	6.2
109.02999	1.1
111.00883	2.8
113.02457	2.8
115.04038	0.5
117.05632	1.3
121.03005	0.9
123.00893	12.5
123.01701	0.9
123.04517	0.7
123.54007	0.5
124.01751	1.3
125.02452	28.9
126.02845	1.3
127.00407	0.9
129.02016	1.2
135.04553	0.8
136.98798	1.2
137.02469	2.8
139.00388	4.5
139.04088	2.0
140.01175	4.1
141.01962	2.4
145.02974	0.5
151.00388	11.3
151.01529	0.7
151.04007	0.5
152.00771	0.8
153.02011	1.2
154.99850	0.5
159.03069	1.3
161.02438	1.0
161.04686	0.8
167.03604	0.7
168.00676	3.5
169.01433	41.7
170.01782	2.9
171.02031	1.3
174.59280	0.4
176.44591	0.5
177.04053	12.2
177.05479	0.9
178.99884	0.7
179.03453	0.6
211.02457	4.8
211.04256	0.5
243.03021	0.7
255.03137	1.1
271.02509	1.9
271.04950	3.3
279.16043	0.8
300.02701	6.0
301.00159	1.1
301.03674	4.4
302.03595	0.9
305.17685	1.2
313.05875	1.9
315.01590	0.9
323.02194	0.6
323.13501	2.1
325.03680	0.5
329.04941	2.9
333.15491	2.3
341.03204	0.6
352.99597	1.2
357.65533	0.4
369.02631	0.7
397.02094	0.8
413.01956	1.9
441.17953	1.2
447.09387	7.0
448.10040	0.7
449.10300	0.7
467.15271	2.3
485.20490	100.0
486.20935	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	485.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95405	2.1
59.79008	2.0
61.59175	1.9
61.93662	2.1
64.01506	2.4
68.99840	3.5
69.78025	7.9
69.78429	4.9
85.05322	2.6
95.01421	9.0
96.96033	2.6
97.02971	5.0
99.92596	96.3
100.92609	3.7
100.93417	4.1
100.99455	2.1
104.13626	2.2
108.02190	4.9
109.02977	5.0
111.00926	6.4
115.92092	46.0
116.92139	3.7
116.92891	14.4
121.02961	3.2
123.00937	13.7
124.01666	3.3
125.02483	5.4
134.03786	4.2
137.02504	3.3
139.00407	6.8
149.02464	4.1
164.01189	3.9
177.02051	2.9
206.93930	8.7
221.08458	2.1
223.94247	14.4
224.94753	5.6
233.92725	3.5
247.94112	2.7
248.94859	3.2
261.95834	11.9
297.22324	2.3
299.16470	2.2
301.21817	4.3
318.02136	4.1
339.23331	5.4
355.22809	27.3
356.23328	4.2
357.20483	2.4
371.22247	2.3
383.22256	55.6
384.22910	6.3
385.24039	4.3
401.23361	14.1
443.15344	17.5
444.15649	4.2
449.10580	3.0
451.12247	5.3
453.13797	19.5
454.13885	4.3
463.12134	4.8
467.15515	55.6
468.15695	8.5
471.14737	6.5
477.10880	3.5
479.11963	4.4
481.13342	50.0
482.13608	9.0
485.16498	100.0
485.27869	5.6
486.16833	21.5
495.11371	4.8
499.14392	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	485.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84166	0.4
59.01386	6.2
61.98821	0.9
65.03957	0.6
71.01395	2.0
71.55932	0.3
71.61273	0.4
73.02980	0.6
73.49339	0.3
79.95747	25.2
80.96525	1.0
81.03506	0.5
83.01392	2.2
83.05038	1.5
83.63316	0.4
85.02961	0.9
91.01900	4.2
93.03461	1.9
95.95238	9.9
96.96021	100.0
101.02496	0.8
104.66126	0.3
107.01417	0.6
108.02210	0.5
109.02963	5.8
110.97588	4.5
111.00918	1.1
111.04509	2.5
113.02499	0.6
121.03021	0.4
123.00934	1.2
123.04530	0.4
125.02460	5.0
126.53405	0.4
135.00897	16.6
135.04517	0.4
136.01244	0.4
136.99200	0.7
137.02461	2.5
138.03241	0.6
139.00391	0.4
141.95795	0.8
149.02461	0.8
151.00394	1.0
151.04031	0.7
153.01961	12.5
155.03519	4.9
161.02512	0.4
161.04648	0.5
161.06062	0.8
163.04013	1.8
167.00246	2.8
167.03459	0.5
167.39442	0.4
169.01421	4.0
169.49991	0.4
173.04643	1.1
175.04051	1.4
177.05615	1.3
179.03540	0.7
181.05179	0.4
187.00813	0.4
193.01477	1.0
193.05086	0.6
204.09923	0.4
204.70692	0.4
205.05072	1.1
205.39474	0.4
211.02550	0.8
243.06622	1.8
244.07347	0.5
249.04059	1.2
256.40671	0.4
257.01239	0.6
267.02951	0.5
269.10413	1.6
271.04736	1.2
289.03979	1.5
297.03403	0.4
297.06000	2.0
300.99841	0.5
302.00192	0.5
313.05875	0.5
327.12579	0.8
331.06024	0.5
337.02310	1.4
351.01236	0.5
353.02179	0.6
369.01691	0.6
389.65915	0.4
397.01221	0.8
405.11920	6.5
406.12469	0.7
409.01331	0.8
423.20422	0.7
425.00546	0.5
434.98999	0.6
452.99954	6.9
454.00989	0.5
465.06796	0.9
470.08893	2.6
483.08200	0.6
485.02835	3.1
485.11441	74.9
486.11691	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	484.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17792	19.5
64.47138	18.2
71.36038	28.0
84.00922	79.6
114.74613	19.9
140.75774	18.4
142.66240	24.8
225.76833	20.9
242.96031	20.3
344.75720	22.7
386.82434	21.2
399.25452	100.0
428.04520	21.2
485.28552	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41195	1.2
59.01380	2.5
61.98848	2.7
65.03969	1.5
70.05981	6.2
71.01401	2.5
79.95735	1.9
85.26122	1.2
89.02457	1.7
91.01903	27.6
96.96047	6.9
99.92599	3.1
107.01426	1.7
108.02190	2.0
109.02962	27.8
113.27453	1.4
115.92094	5.0
116.92870	14.8
123.00903	3.4
124.23235	1.1
125.02451	10.3
133.02936	1.8
135.00896	100.0
135.04514	1.9
136.01242	3.3
137.02444	3.6
145.95654	1.4
149.02394	1.6
151.04063	1.4
152.13437	1.3
153.01952	70.6
153.05548	1.7
154.02278	1.9
160.01625	2.6
162.99763	1.5
169.01469	7.4
175.04005	9.0
177.01958	4.6
179.03494	3.7
187.00731	1.9
193.05119	3.1
200.98805	1.6
235.06136	2.2
243.06639	12.4
265.07108	1.6
271.04535	2.0
297.06088	13.1
298.42487	1.6
300.99930	2.9
397.01825	1.7
405.11972	36.3
406.12186	1.7
423.20099	2.8
485.07672	59.5
485.16537	8.8
485.23508	3.0
486.07938	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	484.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
58.88327	1.3
61.98833	100.0
64.64689	1.3
69.41100	10.5
73.02956	1.2
81.03476	6.7
85.02987	1.4
99.04549	2.6
106.86192	1.4
109.06628	1.8
111.04540	1.5
125.02455	20.0
125.09750	1.9
127.04005	4.1
151.03979	1.8
153.05579	3.1
182.06299	1.2
265.14413	2.6
339.19754	2.2
378.77704	1.3
399.21692	21.2
400.22165	4.0
421.25967	96.7
422.26300	14.5
425.93835	1.4
437.30582	4.2
467.31671	3.6
484.18790	1.5
484.31271	4.4
485.26279	2.8
485.32681	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.9
59.01369	1.4
61.98834	95.8
64.14561	1.3
67.37952	1.2
70.35039	2.8
71.04997	1.4
81.03446	7.3
94.31461	1.5
99.04491	2.3
99.08167	4.5
119.11947	1.3
122.03748	1.8
125.02454	19.7
127.04004	4.3
129.09221	5.7
151.00400	2.1
153.05602	1.5
167.03441	1.7
205.15944	2.7
218.14391	1.2
247.17004	5.3
254.83421	1.3
269.00876	1.4
376.10135	1.4
399.21725	20.8
400.22168	2.0
421.25949	100.0
422.26407	10.6
423.32837	2.2
467.31461	1.9
484.19040	1.8
484.31494	6.1
485.32639	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	484.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03055	0.3
59.01390	1.9
61.98834	70.9
71.01399	1.8
71.60894	0.3
71.61292	0.4
73.02956	0.3
75.00862	0.3
75.46366	0.3
85.02960	0.8
87.00924	0.3
88.95944	0.3
89.02441	0.8
92.05061	3.5
96.96025	0.5
97.02927	0.4
99.00899	0.7
101.02460	0.7
102.02877	0.4
102.03471	1.4
113.02481	0.3
117.03471	1.1
118.02968	0.9
119.05024	4.8
120.04574	2.5
120.05341	0.4
123.00892	0.9
123.04565	0.5
124.44562	0.3
125.02457	2.0
132.04564	0.4
134.21948	0.3
135.04527	0.4
136.04041	0.4
136.92154	0.3
136.98804	0.3
139.00359	0.4
144.04573	0.7
145.02963	2.6
146.02467	6.0
147.03304	1.8
147.04344	0.4
148.04041	3.8
151.00395	0.7
153.01807	0.3
153.05627	0.3
158.06180	0.5
161.02527	0.4
163.04004	3.6
168.00612	0.3
169.01434	1.7
170.01759	0.9
174.01965	1.5
174.05525	0.6
175.02750	49.6
176.03532	100.0
177.03915	4.1
177.26309	0.3
179.03473	0.4
179.10658	0.4
186.05618	1.2
187.04086	0.4
188.03540	1.4
189.03992	0.4
202.05151	0.3
207.05144	0.7
211.02373	0.4
251.39812	0.3
292.18512	0.4
300.99930	0.6
302.00162	0.4
307.08133	0.6
320.07880	0.5
323.15176	0.5
338.08829	93.1
339.09152	7.9
424.22787	1.1
484.12411	5.4
484.19138	6.4
485.12888	0.5
485.19958	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	484.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10277	0.3
57.10812	0.3
59.01394	1.8
61.98837	72.3
62.03193	0.3
67.41584	0.3
69.19212	0.3
71.01394	1.4
73.02952	0.4
85.02962	0.9
89.02466	0.6
92.05079	3.5
95.01395	0.4
96.96053	0.3
98.20628	1.1
99.00872	0.5
101.02473	0.6
102.03506	0.8
113.02454	0.7
117.03491	0.6
118.03003	0.6
119.05041	4.8
120.04562	2.5
120.43077	0.3
120.44814	0.4
123.00890	1.2
123.04500	0.4
125.02434	1.8
132.04572	0.4
135.04559	0.7
135.08220	0.4
140.01193	0.5
144.04581	0.8
145.02963	2.8
146.02505	5.5
146.24686	0.4
147.03267	1.6
148.04066	4.5
151.00381	0.7
151.99545	0.3
153.05540	0.4
158.06197	0.5
160.04121	0.5
161.02435	0.4
163.04025	3.3
169.01495	1.8
170.01712	0.5
174.01971	1.6
174.05563	0.4
175.02760	45.4
176.03542	100.0
177.03896	4.7
179.03537	0.6
186.05626	1.6
188.03555	1.9
189.03922	0.4
207.05197	0.4
211.02559	0.4
300.99893	0.7
307.08139	0.8
323.15082	0.8
338.08838	85.8
339.09109	7.8
376.45764	0.4
424.22604	1.2
484.12439	4.4
484.19095	5.9
485.12775	0.6
485.19632	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	484.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
60.99029	0.5
61.98837	4.1
69.29333	3.6
70.04718	0.4
71.01374	2.4
73.02959	1.1
74.02473	0.6
78.95882	0.5
83.01398	0.6
85.02980	1.8
87.00887	0.6
89.02456	1.2
92.05058	2.4
94.00239	0.4
96.96023	1.0
99.00886	0.5
101.02463	1.8
102.03519	0.9
107.01439	0.6
111.00899	0.7
113.02464	1.6
117.03534	1.0
117.05582	0.6
118.02966	0.7
119.05019	3.7
120.04576	2.3
123.00907	2.1
125.02448	3.9
126.02795	0.6
128.03516	0.5
135.08173	0.8
139.00394	1.1
140.01195	0.6
145.02936	2.9
146.02499	4.0
146.67513	0.5
147.03278	1.2
148.04065	4.2
151.00348	0.7
158.06158	0.8
161.09799	0.5
163.04068	3.1
168.00682	1.1
169.01440	4.6
173.39157	0.5
174.02022	1.8
174.05681	1.1
175.02757	48.1
176.03540	100.0
177.03914	3.2
179.10805	1.0
180.11107	0.5
186.05614	0.9
188.03546	2.3
207.05074	0.7
211.02440	2.1
230.01802	0.6
271.04639	3.9
279.10876	0.5
300.99878	1.8
301.99945	0.7
306.07489	0.8
307.08340	0.8
338.08838	93.6
339.09149	8.2
424.22687	1.2
483.33435	2.6
484.12418	6.7
484.19205	5.9
484.33765	1.5
485.13306	1.0
485.20111	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	484.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65982	0.4
57.03469	0.5
59.01392	2.4
61.98836	65.6
62.98576	0.5
63.50290	0.4
69.43188	3.4
71.01391	1.8
75.00897	0.4
85.02986	0.8
92.05082	3.9
96.96004	0.7
98.95625	0.9
99.00910	0.9
101.02454	1.1
102.03500	0.8
113.02444	0.7
117.03493	0.7
118.03018	0.9
119.05045	4.8
120.04563	2.8
123.00912	1.8
125.02453	1.9
131.03592	0.5
139.00409	0.6
144.04582	0.7
145.02980	2.0
146.02483	6.0
147.03246	1.5
148.04076	5.3
151.00386	1.2
153.05629	0.6
158.06123	1.0
163.04031	3.2
169.01427	2.0
170.01715	0.8
174.02034	2.2
174.05627	0.9
175.02756	49.7
176.03540	100.0
177.03876	4.6
186.05598	1.0
188.03535	1.4
281.23041	0.5
300.99872	0.9
307.08188	0.7
315.06671	0.5
323.14990	0.5
327.56750	0.5
336.90009	0.5
338.08835	92.7
339.09155	7.9
423.22275	0.5
424.22403	1.5
484.12390	4.7
484.19070	7.9
485.12869	0.6
485.20068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23014	1.7
53.74566	1.6
55.01868	4.0
55.52339	1.6
57.03437	7.1
58.00587	2.4
59.01385	57.6
60.41826	1.9
61.98835	18.1
66.25822	1.8
71.01388	48.4
71.61134	2.2
72.99306	2.3
73.02944	14.4
76.69492	1.6
83.01405	9.6
85.02951	24.0
87.00857	4.0
87.04475	2.5
89.02467	16.5
95.01405	3.5
96.96001	5.8
97.02930	2.6
97.06566	2.9
98.90973	1.8
99.00874	8.1
101.02454	41.0
107.05036	2.0
111.00887	4.9
111.04489	2.0
113.02454	16.5
114.98615	2.9
115.03987	5.3
119.05052	2.7
123.00916	2.1
125.02451	15.0
131.03496	16.7
135.08107	3.8
136.05333	1.9
138.01952	3.7
139.04013	3.6
143.03497	4.2
145.02898	2.0
145.76825	1.7
146.13579	1.6
149.04572	4.8
151.07622	3.8
159.02950	1.6
161.04576	13.2
161.09782	2.7
169.01419	7.7
179.10780	14.8
211.02420	1.9
221.11812	2.0
223.09773	4.3
229.14383	2.4
233.06462	2.6
250.78563	2.2
271.04562	3.5
277.09201	3.2
291.18152	35.7
292.18405	3.3
300.99878	3.6
325.12787	2.4
351.18088	4.9
423.22379	100.0
424.22827	12.0
483.18231	18.2
483.33765	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	484.11
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20887	0.6
55.01885	0.8
59.01382	3.2
61.98838	10.2
69.03436	0.8
69.43511	2.7
69.43933	2.0
71.01396	3.5
72.76739	0.6
72.99309	0.7
73.02950	1.2
79.01909	0.7
83.01399	1.7
85.02972	1.6
89.02434	1.3
95.01386	1.4
96.96015	5.1
97.02929	1.3
101.02460	3.0
107.01387	2.8
111.00902	2.0
113.02441	2.1
123.00895	12.7
124.01661	0.8
125.02460	13.6
126.02802	0.7
127.00317	0.7
136.98796	1.2
138.71292	0.7
139.00388	5.7
139.04045	0.9
140.01233	3.2
141.01929	2.3
150.99173	0.7
151.00374	12.5
153.01942	0.8
159.16208	0.6
168.00699	3.6
169.01437	21.4
170.01801	1.0
219.13950	1.0
271.04947	0.8
275.01843	1.0
301.00031	1.5
308.28741	0.7
313.05777	1.7
328.62939	0.8
335.05948	0.6
413.01526	1.0
421.11423	100.0
422.11765	11.3
484.18750	2.3
485.15881	7.1
485.21716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01352	2.9
61.98797	1.0
65.00298	2.0
69.03431	0.7
69.48631	5.6
71.04998	1.0
73.02916	1.2
78.95872	1.7
79.01871	0.9
80.91659	1.0
81.03452	8.6
83.01349	2.2
83.04999	1.9
85.06596	16.0
87.54575	0.6
95.01346	3.3
95.04967	1.3
97.02900	1.0
97.06577	1.1
107.01356	0.8
107.05000	1.5
109.06521	3.2
111.04559	3.6
121.06548	1.1
122.03660	0.9
123.00835	1.1
123.04484	1.8
123.08128	1.1
124.01673	3.8
125.02457	22.1
129.05544	0.9
135.04485	1.8
137.02290	0.9
139.03889	1.0
151.00429	4.4
152.01108	3.9
152.99539	1.3
153.05589	19.5
154.05872	0.9
160.38437	0.7
163.07602	0.8
166.02774	3.4
177.09067	1.0
179.03537	6.0
180.04092	2.2
193.04944	1.7
195.06361	1.2
207.06584	1.9
221.08069	1.0
245.04094	1.3
247.04630	2.0
249.40187	0.8
254.21758	0.8
255.13638	0.9
255.22308	1.0
261.11081	1.0
262.11688	0.8
269.01572	0.8
275.12698	1.3
301.14178	1.4
309.18143	1.2
353.17172	3.4
371.18600	4.7
372.18402	1.0
383.21973	1.1
399.21188	0.8
401.23398	4.5
427.15964	0.9
427.21237	11.2
428.21231	1.5
439.24722	8.6
440.24902	1.6
483.23380	100.0
484.23676	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03454	4.9
58.32691	0.6
59.01386	1.7
65.00330	1.6
67.28014	0.7
69.03457	0.8
70.35535	2.5
73.02943	0.8
78.95897	2.3
79.01883	1.4
79.90915	0.8
80.52571	0.7
81.03455	10.2
83.01392	2.3
83.05031	1.5
83.66215	0.8
85.06593	20.7
95.01402	3.1
97.02964	1.3
97.06577	1.2
107.01367	0.9
107.05032	0.8
109.06572	3.6
111.04512	2.6
119.08623	0.7
121.06575	1.3
123.04513	1.4
123.08177	1.0
124.01682	2.6
125.02451	19.6
128.77971	0.7
129.05516	0.7
130.86259	0.8
135.04512	2.4
135.08168	0.8
137.02455	0.8
149.06078	1.5
151.00325	3.0
151.07568	0.9
152.01123	3.9
152.99500	1.4
153.05583	20.2
154.05885	1.0
166.02705	3.9
167.03497	1.4
179.03513	7.1
180.04272	2.9
193.05069	1.5
194.05884	1.3
195.06602	1.3
207.06596	2.2
212.03281	1.2
221.08116	1.3
231.13890	0.9
239.07735	0.7
245.04317	1.8
246.04588	1.3
247.04794	1.7
253.21593	1.2
255.22263	1.5
257.19098	0.9
301.14719	1.1
315.15796	0.8
327.19791	0.8
353.17532	2.8
371.18646	5.6
382.31573	0.9
383.22311	2.1
395.29840	1.2
401.23282	3.8
421.87103	0.8
426.20065	0.9
427.21219	13.4
428.21451	2.3
439.24579	10.6
440.25366	1.7
450.79483	0.9
483.23318	100.0
484.23700	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	483.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08850	2.2
55.01873	4.3
57.03452	17.8
59.01393	16.9
61.98832	15.0
69.03448	10.1
71.01388	14.6
71.05026	4.6
72.99319	2.9
73.02943	10.7
79.01906	4.1
81.03460	9.7
83.05025	3.3
84.02160	5.4
84.52033	2.7
85.02958	100.0
86.03264	4.4
87.00884	8.6
87.04522	2.8
95.01374	3.4
95.05026	18.1
96.96034	15.5
97.02979	12.3
99.04520	9.4
101.02438	3.9
101.06095	5.8
102.27125	2.6
109.06638	2.7
110.02496	3.4
111.00910	4.9
111.04510	3.6
112.86209	2.4
114.98604	2.5
122.03785	3.4
123.00878	3.6
123.03716	4.2
123.04540	50.9
124.01720	3.0
125.02460	49.2
135.04491	3.9
135.08205	4.5
136.05257	5.8
137.02400	4.8
137.05957	2.9
137.09694	3.6
138.03210	5.4
139.04013	14.3
141.05608	4.8
149.02414	2.6
151.00369	4.4
151.04022	4.6
151.07628	5.8
153.05513	7.1
165.05562	4.1
165.09221	3.9
167.03448	9.0
169.01465	5.9
179.03484	5.9
179.10794	6.4
193.05106	3.4
219.13853	14.8
233.15483	3.8
259.21790	2.5
261.14999	17.0
263.12732	5.5
285.20853	2.5
300.99731	3.6
321.13422	6.5
329.17502	4.8
365.19781	3.6
383.20740	5.0
421.22488	24.6
423.20224	49.8
424.20535	6.4
437.21753	30.4
465.21262	11.5
465.32300	5.8
466.21933	4.4
482.35721	5.8
483.13135	4.1
483.19174	4.9
483.33258	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	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60455	2.8
52.58422	2.9
53.76536	2.6
57.03452	18.2
59.01387	20.8
61.98837	13.9
62.66320	2.6
67.01917	3.6
69.03471	10.6
71.01394	17.4
71.05033	3.9
71.61652	3.5
73.02951	16.1
78.01942	3.2
79.95773	3.7
81.03475	13.9
83.01411	3.8
83.05051	7.5
83.49827	3.0
84.02172	4.3
85.02960	100.0
87.00887	9.0
89.02480	3.0
95.01362	3.7
95.05042	11.4
96.96022	27.9
97.02964	11.7
99.04536	8.4
101.02438	6.5
101.06087	5.5
111.04602	3.7
113.02443	3.3
118.58369	2.7
118.84758	3.0
123.00890	3.7
123.04537	51.9
123.78957	2.9
124.01698	6.9
125.02457	57.2
125.06104	7.1
125.09718	6.5
134.03793	4.5
136.05379	3.0
137.02455	3.9
137.06148	2.8
137.09679	3.1
138.03171	3.1
139.04030	9.8
139.12785	2.7
141.05624	3.7
146.33719	2.4
151.00403	6.9
151.04007	6.1
151.07718	4.9
153.05644	4.0
154.01509	5.3
155.01764	2.8
161.04643	3.9
161.13469	3.0
163.11330	3.0
165.01860	3.0
165.05569	7.8
166.02821	2.8
167.03543	7.9
169.01410	3.9
179.03549	6.3
187.11275	4.8
193.05104	4.3
205.12341	4.8
219.13892	12.7
233.15477	3.3
249.14832	2.7
251.11330	3.9
261.14941	13.8
263.13028	5.8
287.16803	3.4
301.00046	3.2
303.16153	4.5
329.17667	4.8
347.18811	5.9
365.19946	3.8
403.21024	4.3
421.22272	34.1
421.27380	4.2
423.20313	54.1
424.20569	7.3
437.21844	33.8
465.21323	14.5
465.32306	4.3
466.21716	3.2
483.22934	6.7
483.33902	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	483.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.6
57.03450	0.8
59.01381	4.4
61.98855	0.5
63.17615	0.5
67.01913	0.8
69.03472	0.6
69.36570	2.1
69.37002	2.0
71.01376	4.4
71.05035	0.8
72.06331	0.4
72.17248	0.4
72.99311	0.9
73.02950	0.9
75.00883	1.4
78.94862	0.4
79.01913	1.3
79.95754	0.8
81.03471	0.7
83.01408	1.1
85.02960	2.8
87.00864	2.4
89.02476	1.3
95.01408	1.7
96.96011	26.2
97.02989	1.3
99.00895	0.5
101.02431	2.4
107.01384	4.5
109.02982	1.0
111.00865	3.0
113.02475	1.4
117.05588	7.1
123.00889	15.0
123.01710	0.9
124.01691	1.4
125.02453	20.5
126.02801	0.6
126.99566	0.5
127.00430	1.6
133.06956	3.3
136.98849	1.6
137.02461	0.7
139.00378	5.5
140.01176	4.4
141.01996	2.2
151.00363	10.6
151.01526	0.6
151.43039	0.4
153.02003	1.3
161.02444	0.6
168.00626	4.6
169.01428	27.9
170.01802	1.2
177.04041	3.3
189.05678	0.5
193.01517	0.6
202.87808	0.4
211.02390	3.0
243.03046	0.5
255.03084	0.6
271.02225	0.9
271.04825	1.0
272.85709	0.5
273.07977	0.9
291.09262	2.1
299.99591	0.8
300.02563	2.4
301.00137	1.1
301.03674	1.6
313.05685	0.7
321.13657	1.6
329.05249	1.1
333.10291	1.1
349.11569	1.5
393.12491	1.7
447.09378	3.0
483.18973	100.0
484.19266	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	483.1876
Annotation	Globulusin A
Peak:m/z	Relative Intensity
51.19645	0.3
55.01872	0.8
57.03444	0.5
57.59749	0.3
59.01388	2.5
61.16824	0.3
67.01888	1.1
69.03466	0.6
69.34351	2.0
69.34755	0.7
71.01389	3.2
73.02955	1.1
79.01894	0.8
83.01392	1.0
84.04912	0.3
85.02945	1.9
87.00871	0.3
89.02446	0.4
89.99533	0.3
95.01381	1.9
96.96008	0.7
97.02928	0.4
99.00896	0.6
101.02470	2.1
104.56247	0.3
105.35672	0.4
107.01395	3.1
110.00025	0.3
111.00883	1.9
113.02451	1.3
123.00898	14.2
124.01676	0.9
125.02457	14.1
127.00412	0.8
136.98779	0.7
137.02444	0.5
139.00385	5.0
140.01187	3.3
141.01923	1.7
150.32285	0.3
151.00388	10.2
153.01984	0.4
163.04048	0.5
168.00645	3.2
168.11649	0.4
169.01436	18.4
170.01768	0.6
209.04565	0.3
211.02448	0.6
228.78635	0.3
253.03568	0.4
271.04593	0.4
279.99670	0.3
281.07889	0.3
313.00037	0.3
313.05762	1.4
483.18738	100.0
484.19107	13.3
485.52808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1873
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01886	0.5
57.03455	0.4
59.01379	1.5
65.00328	0.5
67.01897	0.9
69.03453	0.7
69.62933	0.4
71.01388	4.2
72.99294	0.6
73.02946	1.4
77.63923	0.4
79.01891	1.0
79.77674	0.4
83.01399	1.1
85.02959	2.3
95.01402	2.2
95.91327	0.4
97.02972	0.9
99.00888	0.8
101.02455	1.6
107.01395	3.4
110.00141	0.5
111.00897	3.5
113.02434	1.2
123.00898	15.9
123.59030	0.4
124.01625	1.4
125.02461	15.6
127.00392	1.0
131.90555	0.4
136.98824	2.0
137.02571	0.6
139.00407	6.1
140.01175	4.9
141.01942	1.9
151.00383	12.8
153.01915	0.7
168.00668	5.0
169.01440	19.4
170.01794	1.0
198.77533	0.4
211.02429	3.0
271.04675	1.1
313.05719	1.0
483.18738	100.0
484.12009	0.6
484.19095	12.7
484.25717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03435	0.6
59.01389	2.2
61.98824	1.0
67.01882	0.7
69.35777	2.7
71.01388	3.5
72.99304	0.4
73.02932	1.0
73.48486	0.3
79.01889	0.8
83.01389	1.2
84.23119	0.3
85.02956	2.5
87.00853	0.4
92.03583	0.3
95.01400	1.6
96.96005	0.8
96.99307	0.3
97.02923	1.0
97.47155	0.3
99.00880	0.3
101.02440	2.8
107.01407	2.9
111.00906	1.6
113.02425	1.4
115.16732	0.3
123.00892	12.3
124.01642	1.3
125.02456	14.2
127.00343	0.7
133.21306	0.3
136.98793	1.1
139.00371	4.6
140.01176	2.9
141.01979	2.0
145.01408	0.6
151.00380	10.8
152.00699	0.4
153.01913	0.8
161.04539	0.4
166.90649	0.3
168.00644	3.1
169.01425	18.3
170.01740	1.0
174.06860	0.3
211.02502	0.6
253.03407	0.4
273.79190	0.3
313.05695	1.2
334.95367	0.3
403.32910	0.3
424.94705	0.3
483.18716	100.0
484.19031	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	483.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.03378	0.4
59.01383	2.3
67.01880	1.0
69.03477	0.5
69.73932	2.8
71.01389	3.6
73.02928	1.2
79.01907	0.5
81.03468	0.5
83.01398	1.1
84.00246	0.4
84.97494	0.5
85.02946	2.2
95.01378	1.5
97.02937	0.7
99.06846	0.4
101.02441	1.5
104.65871	0.5
107.01398	3.1
111.00868	2.1
113.02439	1.0
123.00900	13.7
123.04577	0.8
124.01646	0.7
125.02461	14.4
127.00358	0.8
136.98801	1.6
137.02486	0.6
139.00383	5.2
140.01186	3.4
141.01917	1.7
151.00383	9.1
152.00746	0.5
153.01976	0.6
168.00655	4.3
169.01436	19.1
170.01828	0.7
177.04155	0.5
207.48546	0.5
211.02539	2.5
213.20897	0.5
248.38536	0.5
255.94464	0.5
271.04608	1.5
313.05560	0.8
394.24994	0.5
431.44180	0.5
483.18747	100.0
484.19043	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	483.148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
58.44678	2.5
58.74233	2.2
61.98832	32.9
65.00346	3.9
68.99841	6.3
69.03490	3.2
69.83357	9.4
77.93721	2.4
81.03474	4.1
83.01365	3.1
95.01408	10.4
97.02979	4.2
98.19840	2.7
99.92594	100.0
100.92599	7.2
108.02202	5.0
109.02961	5.7
111.00896	4.6
115.92082	53.9
116.92137	5.0
116.92885	13.0
117.93681	3.4
120.02212	2.4
121.02979	3.6
123.00930	12.1
124.01658	4.3
125.02447	6.8
134.03812	3.1
135.04547	3.3
136.01724	2.6
137.02493	5.4
139.00363	4.3
141.61697	2.9
144.37585	2.2
145.03009	2.5
147.04582	3.2
149.02454	4.9
149.99547	4.0
150.03214	3.0
151.00447	6.3
151.04065	3.3
152.01134	2.8
164.01149	3.1
165.01900	3.4
177.01915	3.8
178.02715	2.4
179.03627	2.7
191.06943	2.2
194.42305	2.3
195.94742	4.0
206.93932	9.4
207.94780	3.8
219.94569	2.6
223.94197	13.8
224.94891	3.4
234.93411	4.0
247.94153	2.8
248.95070	5.7
251.93716	4.3
261.95749	13.8
262.96292	2.7
298.23660	2.8
299.20184	3.4
302.46420	2.5
318.02005	2.7
319.02588	3.4
337.21640	5.4
353.21100	18.3
381.20715	46.0
382.21136	9.2
383.22235	20.1
399.21890	10.0
437.14423	3.6
441.13443	16.7
442.14001	4.0
449.10571	5.5
451.12445	22.0
452.12494	2.9
461.10651	4.6
465.13739	71.8
466.14261	13.5
469.13193	7.0
473.71133	2.2
477.10486	5.4
479.11673	46.6
480.12018	8.6
483.14865	99.9
483.26422	5.1
484.15186	22.7
493.09760	4.2
497.12720	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	483.1872
Annotation	Globulusin A
Peak:m/z	Relative Intensity
52.06786	0.5
52.36672	0.5
53.74753	0.5
55.01883	0.9
59.01387	6.1
61.98841	0.6
67.01905	0.9
68.74462	0.5
69.03457	0.5
69.53838	3.3
71.01385	5.3
71.05044	0.7
72.99342	0.9
73.02961	1.2
73.85352	0.5
75.00880	0.9
79.01929	0.8
83.01405	1.6
85.02961	1.9
88.98826	2.0
89.02481	2.0
95.01410	1.7
96.96026	2.9
96.96922	0.7
97.03003	1.2
98.20653	1.0
99.00896	0.7
101.02480	2.1
107.01392	4.1
111.00901	7.1
113.02483	2.2
117.03442	0.7
117.05615	2.4
118.05968	0.8
118.41493	0.6
119.03575	0.6
123.00896	14.7
123.04555	0.7
124.01721	1.4
125.02450	18.8
126.02827	1.0
127.00456	0.8
136.98866	1.9
137.02505	0.7
139.00383	4.5
140.01164	3.5
141.01945	1.8
151.00375	9.8
153.01999	0.9
158.06055	0.6
159.06491	1.1
165.02037	0.8
167.03615	1.0
168.00667	5.3
169.01440	23.5
170.01886	1.1
175.04077	0.7
177.04039	0.7
178.99895	0.8
183.10358	1.7
189.01926	1.2
201.83795	0.5
202.05049	0.5
203.03653	0.7
209.04698	0.6
211.02472	7.3
211.04292	0.5
217.05196	1.2
219.02997	0.9
229.01457	0.9
232.03860	1.5
233.04654	1.1
249.04099	0.7
257.00894	0.7
271.04712	5.5
274.01343	0.6
275.02051	1.5
288.02884	1.2
301.00040	2.0
313.05774	1.7
314.00644	0.6
321.13516	1.3
336.68237	0.6
350.02533	0.6
432.68704	0.6
465.07111	1.4
483.07919	7.6
483.18961	100.0
484.08643	1.1
484.19290	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22286	2.3
59.43872	1.9
65.00336	2.1
68.99819	5.0
69.79037	11.3
79.69155	1.9
81.03484	4.6
83.01379	3.2
95.01376	10.4
97.02890	4.0
98.95605	3.1
99.92594	93.6
100.92605	6.0
100.93333	2.3
108.02178	4.0
109.02966	4.5
110.00150	2.5
111.00910	8.1
115.92090	50.6
116.92877	15.5
117.93685	2.3
121.02966	5.1
123.00896	8.4
124.01657	3.0
125.02446	8.0
134.03671	2.9
135.04521	2.5
137.02478	4.1
139.00392	5.5
145.02881	2.4
147.04460	3.9
149.02487	3.1
149.99593	3.7
151.00404	5.3
163.03976	3.0
163.15727	2.6
164.01164	3.5
166.02795	2.2
177.01949	4.6
177.05641	2.9
189.97212	2.3
195.94745	2.9
206.93958	6.6
207.94737	6.3
209.96074	2.1
223.94252	14.6
224.94955	5.3
233.96346	2.8
234.93422	5.1
236.76657	2.3
248.42619	2.0
248.95024	2.7
250.92883	4.1
251.93680	4.7
260.94797	2.4
261.95807	8.6
318.01910	5.6
337.21997	2.8
353.21246	20.1
354.21628	2.2
379.19611	2.5
381.20746	57.2
382.21027	6.6
383.22412	8.6
399.21930	7.7
433.11789	2.9
441.13824	19.8
442.13943	2.8
449.10928	5.1
451.12296	26.1
452.12439	4.0
461.10684	4.6
465.13779	67.3
466.14078	15.3
469.13358	8.8
475.08853	3.5
477.10141	4.9
479.11743	47.3
480.11975	9.2
483.14874	100.0
484.15305	16.8
497.12906	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	483.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
59.01379	1.5
61.27089	0.4
61.98816	0.6
67.01884	0.9
69.03466	2.1
69.40544	3.5
71.01392	3.1
72.99326	0.7
73.02962	0.7
75.00924	0.6
77.38634	0.4
79.01884	0.6
81.03471	1.0
83.01406	1.0
85.02965	1.3
89.02444	0.9
90.27787	0.4
92.05058	1.8
93.03465	0.5
95.01385	1.4
95.05032	0.5
96.96014	1.3
97.02953	1.7
97.98608	0.4
98.20570	0.9
101.02449	1.4
101.93771	0.4
107.01389	4.5
109.02934	0.6
111.00879	1.9
113.02454	0.9
113.07052	0.5
119.05089	0.4
122.06126	5.5
123.00894	5.4
124.01655	2.2
124.37842	0.5
125.02453	73.5
126.02785	2.4
127.00350	0.5
128.99884	0.4
136.04047	2.9
136.98875	0.6
137.02446	0.9
139.00371	5.1
139.04022	1.1
140.01178	2.8
141.01917	1.2
151.00374	3.0
153.01921	0.9
154.02673	2.7
155.03485	0.7
161.02419	0.5
163.04047	1.0
166.99812	0.6
167.03458	0.9
168.00638	3.4
169.01431	100.0
170.01779	4.5
173.02377	0.6
175.04066	1.0
177.01788	0.6
179.03491	0.6
181.03696	0.5
183.02982	1.4
185.02379	0.6
189.01872	0.8
190.45107	0.5
191.03564	1.0
193.01405	1.3
203.03490	0.9
211.02419	2.1
215.11725	0.5
217.01334	1.1
219.03127	0.6
227.03494	0.5
229.01443	1.1
231.03047	0.5
234.01756	0.5
245.00949	0.8
247.02348	1.3
249.04004	1.4
257.00937	0.9
259.02350	0.6
259.10944	3.0
267.02823	0.7
271.04590	2.1
273.00635	1.0
274.01205	1.2
275.01959	5.7
276.02316	0.9
277.03479	0.6
291.01440	0.4
299.99173	0.9
300.99875	7.6
302.00064	1.3
311.02185	0.7
313.05643	32.0
314.06000	1.9
327.07318	1.1
331.06760	5.2
332.06998	0.6
339.01343	2.8
367.00821	3.1
377.04126	0.5
386.03717	0.7
410.99976	1.7
439.08716	0.7
453.03244	0.5
473.53488	0.9
474.03601	0.5
483.07956	20.6
484.08115	2.5
491.57581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.6
56.41751	0.6
56.59262	0.7
59.01380	1.5
67.01936	1.2
69.03472	0.6
69.35968	1.3
69.36369	4.5
70.44582	0.6
71.01388	3.7
75.00850	0.7
79.01894	1.0
83.01369	0.8
84.25561	0.6
85.02953	1.0
90.52300	0.6
95.01405	1.9
97.02940	0.7
99.00889	0.9
101.02444	1.2
107.01407	8.6
110.00074	0.8
111.00888	4.2
112.98809	0.6
113.02452	1.3
113.75758	0.7
123.00896	12.3
124.01653	2.1
125.02457	31.4
126.02777	1.0
127.00355	1.3
136.98848	2.2
137.02464	0.9
139.00392	26.6
139.04021	3.1
140.01173	14.7
141.01999	5.2
145.02972	0.6
146.16167	0.7
150.70114	0.5
151.00378	6.1
153.01888	3.5
154.02748	15.6
155.03491	4.5
165.01924	0.8
168.00652	7.7
169.01448	35.2
169.05081	7.4
170.01689	0.9
179.03369	0.6
182.02229	1.1
183.03006	10.6
197.04546	0.8
205.05072	0.9
211.02379	1.1
223.02307	0.8
225.04097	0.9
275.01990	1.5
285.06189	3.1
297.06223	2.1
300.99924	2.5
313.05652	7.5
327.07214	5.8
367.00952	1.0
397.59915	0.6
483.11469	100.0
484.11819	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	483.0783
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.90242	0.7
65.63967	0.7
68.99747	0.7
69.03453	1.0
70.20159	0.7
71.01392	1.1
79.70768	0.7
83.84484	0.6
84.09070	0.7
97.02975	1.8
107.01369	4.0
111.00910	0.8
114.68321	0.7
122.44593	0.8
123.00883	2.8
124.01651	2.6
125.02457	100.0
126.02812	3.1
139.00412	1.4
139.04042	2.8
151.00381	2.2
167.03539	1.1
168.00639	6.5
169.01440	93.0
169.05028	7.0
170.01810	3.1
189.75616	0.7
211.02510	3.3
224.42386	0.8
229.57425	1.0
235.26830	0.7
271.04630	3.6
287.07718	21.2
288.08173	1.8
301.00073	0.9
313.05698	12.1
314.06125	1.0
329.39594	0.8
331.06717	36.5
331.10120	2.0
332.07114	2.1
412.81702	0.7
439.08807	49.0
440.09134	5.7
465.06842	2.1
483.06949	11.9
484.08047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62286	1.0
77.30429	0.8
78.47986	0.9
84.81416	0.8
85.02978	1.0
93.66094	0.8
96.96001	1.5
101.02464	1.1
111.00878	0.9
117.03491	4.7
119.05006	2.5
120.99667	1.3
125.02419	3.2
145.02957	19.7
151.03900	1.0
163.03992	3.7
167.05032	1.4
169.01454	2.5
169.05121	1.0
175.04050	0.9
177.02057	0.9
183.04568	0.9
195.04559	2.6
197.06229	0.8
204.04395	0.9
211.04076	2.2
213.35715	0.8
214.38618	0.9
223.04012	2.5
227.03465	1.2
228.12192	0.9
235.03882	2.5
239.03481	1.6
251.03441	5.0
255.03143	1.0
257.00812	1.6
263.03580	1.3
265.01407	1.1
266.02173	1.1
267.03030	5.4
270.98822	1.8
275.01996	3.2
277.01483	1.3
279.03055	3.8
281.01309	1.0
283.02509	1.6
289.07062	1.2
293.00833	1.0
295.02383	5.5
298.98343	2.1
299.99109	6.7
300.99771	6.4
302.00153	1.1
305.00922	1.9
307.02325	2.9
311.02066	5.5
321.00360	3.2
322.01208	2.5
323.01910	8.8
324.99887	2.8
333.00327	2.6
334.01074	2.0
335.01959	8.2
336.02255	1.2
338.00620	5.4
339.01477	10.1
339.98203	1.0
340.01968	1.1
348.99918	3.3
350.00580	2.1
351.01474	11.2
360.99982	1.8
363.01318	4.1
366.00113	3.1
367.00949	15.3
368.01382	1.8
376.99689	4.3
379.00919	12.4
380.01398	1.5
388.99533	1.3
390.00140	0.9
395.00400	12.4
396.00635	1.8
404.98764	4.4
405.99377	2.1
407.00397	12.0
422.99939	8.4
424.00397	1.8
432.98355	16.8
433.98816	2.0
450.99432	99.9
451.99731	11.9
466.53259	1.2
483.02060	100.0
483.14627	10.4
484.02469	14.0
484.15506	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	482.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77425	1.7
57.03454	2.8
61.98831	86.8
75.85964	1.9
81.03467	5.8
83.01393	3.1
87.04535	4.5
124.30977	1.8
125.02449	19.8
143.17018	2.1
159.32123	2.4
159.77998	2.1
163.43568	2.3
238.63409	2.0
289.85461	2.0
419.24414	100.0
420.24551	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	482.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35648	1.1
53.06317	1.1
56.66432	1.1
56.82653	1.0
57.03445	2.2
61.98835	100.0
64.36878	1.1
69.67046	6.5
81.03457	3.4
98.05788	1.2
98.20601	2.4
99.42270	1.0
102.70820	1.1
122.03759	1.7
125.02471	11.2
126.88000	1.5
290.77060	1.3
403.02805	1.3
419.24411	71.6
420.24658	8.7
447.23819	2.0
483.31201	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	482.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02012	0.6
54.96323	0.6
58.96371	0.6
61.98834	100.0
66.52699	0.6
68.13390	0.6
71.61339	1.4
72.80341	0.7
78.95907	4.7
79.01906	0.6
95.05029	0.8
139.04024	4.8
152.99599	8.0
219.17636	0.7
227.03336	1.3
255.23311	26.4
261.18698	2.2
316.04495	0.7
406.20428	0.8
419.28052	30.4
420.28613	3.6
420.33279	0.6
483.27335	16.3
483.33765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
57.38417	0.8
59.01399	1.0
61.98840	100.0
69.85471	4.2
81.03451	2.2
85.02970	1.4
87.00824	0.8
98.20659	0.8
103.25016	0.8
113.45504	1.0
123.04516	1.0
125.02445	6.3
129.86526	0.8
139.04007	1.3
139.11278	1.7
151.00395	1.0
154.61942	0.9
167.87556	0.7
174.99831	0.9
279.12225	0.9
300.99875	1.9
394.27124	1.3
404.30576	0.8
419.24420	47.4
420.24728	8.0
464.26755	1.5
482.30331	1.6
483.24530	1.5
483.31100	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	482.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
61.98833	100.0
69.09962	1.6
70.14025	7.6
76.37836	1.9
81.03439	3.5
87.04509	2.3
125.02466	11.5
134.65007	2.1
136.02951	1.8
151.00368	2.0
153.05580	10.4
162.69389	1.7
198.79422	1.7
339.21402	2.1
419.24374	66.8
420.24969	9.5
439.32483	2.0
483.23810	4.6
483.31052	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	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59145	6.5
70.55698	0.9
78.16741	1.1
78.95909	40.8
96.96975	3.8
152.99602	61.7
153.99965	1.5
171.00641	17.5
227.03308	4.0
245.04321	100.0
246.04630	2.5
253.21735	59.8
254.22049	5.0
282.60461	1.0
300.70166	1.1
334.65149	1.2
472.78506	0.9
481.25754	34.3
482.25861	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	482.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31943	0.8
58.02857	0.7
59.01374	3.1
61.98831	5.9
67.01901	1.1
67.49649	0.7
71.01405	3.7
71.23804	1.4
72.97569	0.8
73.02955	1.6
80.62638	0.9
85.02957	1.9
87.00957	1.1
89.02437	1.5
95.01371	1.0
101.02442	3.1
104.24606	0.9
107.01399	3.2
111.00872	1.1
113.02468	1.9
123.00896	13.1
125.02453	18.8
127.00377	1.0
136.98802	1.1
139.00372	3.0
140.01141	2.2
141.01984	1.5
151.00383	10.2
161.02554	0.8
163.04111	1.0
164.43741	0.7
168.00620	2.8
169.01434	28.3
170.01692	0.9
173.02452	1.0
201.01985	1.2
211.02432	2.0
229.01515	1.1
230.91832	0.9
246.04668	0.9
257.00745	1.2
257.07813	1.0
271.04572	2.8
272.10071	2.5
273.00336	0.8
275.01935	2.6
301.00006	4.6
302.00345	2.2
313.05753	4.2
331.06808	2.6
419.11966	100.0
420.12225	10.3
439.08728	1.7
445.10104	0.8
447.11157	0.9
466.03027	1.1
473.03354	3.0
482.04364	2.5
482.54678	1.4
483.06854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14687	0.6
61.98834	100.0
71.01408	0.7
73.02969	0.6
85.02962	1.8
85.06615	1.9
95.05038	1.4
111.04548	0.7
119.39855	0.6
124.01694	0.7
124.22175	0.6
125.02448	0.9
139.04019	4.5
153.05569	9.7
154.05925	7.0
155.06125	4.1
156.06393	1.6
163.94279	0.6
165.01962	1.3
169.01401	0.5
181.04668	0.7
209.07251	0.7
211.93353	0.6
228.17581	0.7
302.00226	0.8
419.20752	12.3
420.21265	1.0
481.27353	1.3
482.27429	18.8
483.21259	0.9
483.27728	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
56.23211	0.6
57.03438	0.7
59.01377	11.0
61.98820	2.5
67.01878	1.3
69.03438	0.6
71.01382	7.7
71.05026	0.7
71.61298	0.8
72.99299	1.1
73.02946	1.0
75.00883	0.8
79.01891	1.3
83.01397	1.5
85.02958	2.1
87.00873	0.9
89.01978	0.5
89.02439	3.5
91.01885	1.0
95.01379	2.3
96.96004	2.7
97.02957	1.5
99.00851	0.7
101.02468	2.9
107.01387	7.6
109.02969	1.1
111.00870	3.4
113.02438	2.4
117.03432	0.9
119.05030	0.8
120.99670	5.5
121.02944	1.3
123.00888	13.1
123.04507	1.1
124.01686	5.6
125.02451	34.8
126.02772	1.3
127.00352	1.3
135.04514	0.7
136.77258	0.5
136.98828	2.9
137.02448	1.5
139.00378	5.5
139.04015	5.8
140.01154	4.6
141.01953	1.3
145.02975	3.8
151.00394	9.0
151.04062	0.6
153.01933	2.2
153.05618	0.7
154.99815	0.8
155.03404	0.9
163.04033	1.3
166.99937	0.7
167.03535	4.4
168.00650	14.3
169.01428	51.8
170.01762	2.2
171.14835	0.6
179.03395	1.1
183.02940	2.2
184.53212	0.6
189.71657	0.6
193.01384	0.8
197.04556	1.4
205.08669	0.7
211.02480	55.2
212.02814	2.4
229.01064	0.7
241.03525	2.3
271.04590	84.7
272.04871	5.2
275.01993	2.3
296.48013	0.6
300.99872	4.3
307.08575	0.7
313.05545	2.4
316.62891	0.8
327.07211	1.0
331.06656	8.9
332.07150	0.7
341.08908	3.4
447.61435	0.6
449.07767	0.9
456.12003	0.6
474.20239	0.6
481.17188	100.0
482.17438	13.0
487.28204	0.6
503.52191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32259	0.6
59.01372	1.7
61.98830	2.0
69.49440	0.6
71.01368	2.1
71.60824	0.9
74.76543	0.5
83.01364	0.7
85.02956	1.1
91.01888	0.8
92.18389	0.7
95.01382	1.0
96.96005	0.8
101.02467	1.2
107.01389	2.1
108.68920	0.6
111.00899	0.9
120.99660	100.0
121.99989	1.5
123.00881	5.9
124.01691	1.9
125.02445	10.7
135.00937	0.7
136.98840	0.8
139.00377	2.1
139.03981	3.3
140.01183	2.3
141.75732	0.6
151.00397	4.5
152.08426	1.8
153.01923	0.9
153.09094	0.6
166.00932	0.8
167.03493	1.8
167.10738	1.5
168.00639	1.9
169.01437	14.2
197.04562	0.8
211.02531	4.6
211.04257	1.1
253.58849	0.6
271.04614	6.2
272.04855	0.8
275.01837	0.8
291.86325	0.6
300.99942	1.7
313.05630	2.8
341.08914	1.4
477.18927	0.7
481.17184	40.1
482.17798	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	481.0991
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
55.01865	1.2
59.01385	1.5
60.72970	1.0
63.89645	0.9
67.01884	2.2
67.70901	1.0
69.03442	1.9
70.32308	2.4
70.32700	2.2
71.01389	7.3
73.02958	2.0
79.01890	3.0
82.27172	0.9
83.01369	2.3
85.02938	4.0
87.00883	1.3
95.01386	4.4
97.02916	2.4
98.19991	1.2
99.00884	1.9
99.04507	1.2
101.02444	4.1
107.01394	15.1
108.02217	1.9
109.02969	1.9
110.00073	1.4
111.00848	5.0
113.02450	4.3
114.36026	1.1
121.02956	2.9
122.03749	13.1
123.00903	29.6
123.04539	19.7
124.01669	4.6
124.37311	1.0
125.02454	76.0
126.02793	2.2
127.00333	2.3
136.98846	2.9
137.02420	3.3
139.00406	11.4
140.01183	9.6
141.01936	4.4
149.02473	5.4
151.00386	20.0
153.01859	2.1
161.04524	1.3
165.05655	1.1
166.99860	1.4
167.03435	1.2
168.00674	10.3
169.01430	100.0
170.01767	2.9
191.03566	1.2
193.01509	1.5
211.02443	2.5
275.01935	4.2
297.06216	2.3
300.99860	5.5
313.05688	21.9
314.06036	2.3
329.08749	1.9
437.10889	97.3
438.11230	11.5
463.08847	62.7
464.09225	7.6
466.02698	3.2
473.03629	1.6
481.09888	93.8
482.04074	3.8
482.10236	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	481.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32259	0.6
59.01372	1.7
61.98830	2.0
69.49440	0.6
71.01368	2.1
71.60824	0.9
74.76543	0.5
83.01364	0.7
85.02956	1.1
91.01888	0.8
92.18389	0.7
95.01382	1.0
96.96005	0.8
101.02467	1.2
107.01389	2.1
108.68920	0.6
111.00899	0.9
120.99660	100.0
121.99989	1.5
123.00881	5.9
124.01691	1.9
125.02445	10.7
135.00937	0.7
136.98840	0.8
139.00377	2.1
139.03981	3.3
140.01183	2.3
141.75732	0.6
151.00397	4.5
152.08426	1.8
153.01923	0.9
153.09094	0.6
166.00932	0.8
167.03493	1.8
167.10738	1.5
168.00639	1.9
169.01437	14.2
197.04562	0.8
211.02531	4.6
211.04257	1.1
253.58849	0.6
271.04614	6.2
272.04855	0.8
275.01837	0.8
291.86325	0.6
300.99942	1.7
313.05630	2.8
341.08914	1.4
477.18927	0.7
481.17184	40.1
482.17798	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	481.0992
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
58.08438	0.8
59.01382	8.7
61.98830	4.2
67.01923	1.0
69.03452	1.6
69.55591	5.9
71.01388	10.7
71.05035	1.2
72.99284	1.1
73.02979	1.7
74.99080	1.0
75.00876	1.1
81.03474	1.5
81.29110	0.9
83.01391	1.7
85.02956	3.7
89.02453	4.0
95.01386	3.5
97.02950	4.2
98.20647	1.0
99.00876	1.0
101.02475	5.3
107.01392	10.4
108.02198	16.0
109.02998	4.3
111.00917	2.8
113.02447	2.9
117.05602	0.8
119.03483	1.2
119.05032	1.4
123.00882	13.1
123.04532	11.7
124.01723	1.1
125.02455	64.7
126.02810	2.7
127.00409	0.9
136.98915	2.1
137.02444	2.9
139.00369	4.0
139.04016	15.7
140.01166	3.7
141.01959	1.1
145.02940	1.3
149.09746	2.3
151.00398	9.4
151.04019	1.1
152.01155	28.4
153.01971	5.2
161.02484	1.1
163.04013	2.6
165.01910	6.2
167.03500	30.7
167.10706	2.3
167.84503	0.8
168.00645	3.8
168.03848	2.1
169.01431	85.9
170.01825	4.5
177.01878	1.1
183.03003	2.4
195.02919	0.9
201.27866	0.8
205.01494	1.1
211.02498	2.7
241.03635	1.4
244.40987	0.9
245.01009	1.4
253.03519	1.4
257.00928	1.6
261.00449	0.9
271.04684	1.3
275.01971	3.7
300.99893	7.1
313.05652	56.6
314.05963	4.6
327.07233	1.7
329.08572	1.3
345.08203	7.2
349.18558	1.2
418.14340	8.5
421.20740	2.8
437.10843	7.7
450.39944	0.9
463.09256	2.4
481.09906	100.0
482.10367	11.9
485.80667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0992
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.30657	0.8
55.21224	0.7
57.03442	2.8
59.01385	5.6
61.98832	0.9
65.29803	0.7
67.03008	1.1
69.03465	1.2
70.16055	0.7
71.01382	7.1
71.61336	0.9
71.61720	1.1
73.02959	0.9
77.55827	0.7
81.03110	0.7
81.03474	6.7
83.01385	6.0
85.02955	2.4
89.02457	4.0
90.02760	0.8
95.01378	1.2
95.05005	2.1
97.02985	1.1
99.00819	0.8
101.02423	3.2
101.53182	0.8
104.78632	0.7
107.01392	7.1
111.00875	1.9
111.02020	1.5
113.02435	2.3
117.03487	2.4
117.05598	3.9
119.05035	2.4
120.99666	19.8
123.00903	5.9
123.04537	35.1
124.01696	1.2
124.04839	1.7
125.02455	68.4
126.02795	2.6
139.00371	2.8
140.01122	0.9
140.06201	0.8
145.02962	12.4
147.04524	1.9
149.02469	2.6
151.00365	7.8
163.04004	2.5
165.01974	1.0
167.03506	77.8
168.00653	3.4
168.03838	3.2
169.01434	72.4
170.01776	2.6
185.11855	2.0
191.03516	2.2
205.05064	0.9
211.02458	4.9
224.98204	0.8
241.03529	2.7
255.88756	0.8
271.04510	5.0
275.02188	0.9
301.00049	1.7
313.05664	54.0
314.05984	4.8
329.11429	0.9
335.13550	2.4
439.08786	21.3
440.09341	2.3
481.09940	100.0
481.16678	5.6
482.10242	11.8
482.16479	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	481.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60954	0.4
58.09609	0.5
59.01383	1.9
64.33203	0.5
70.24214	1.9
71.01390	1.4
71.68465	0.4
73.29234	0.5
78.56078	0.5
85.02946	0.6
86.21407	0.5
89.02435	0.7
90.10884	0.5
91.10246	0.5
95.01386	0.7
97.39795	0.5
98.19900	0.7
101.02477	0.8
115.81087	0.4
123.00893	2.1
133.02979	0.8
140.52562	0.6
145.02931	1.4
147.04526	1.4
157.02977	1.3
159.04591	0.6
163.03983	0.8
169.01576	0.6
173.02495	2.3
175.04057	2.7
175.39476	0.5
175.41347	0.6
185.02452	2.1
189.01781	0.6
191.03520	1.5
201.01935	4.3
203.03502	5.7
205.01326	0.6
213.01913	1.7
217.01440	0.6
219.03024	1.3
229.01437	9.9
230.01877	1.2
231.00706	0.4
231.02971	3.3
245.00917	1.3
247.02522	0.8
249.04015	2.8
257.00928	8.6
258.01688	3.5
271.20343	0.5
274.01309	1.3
275.01996	40.9
276.02417	2.8
283.99576	2.5
285.00137	0.6
299.99216	2.2
300.99918	100.0
302.00305	7.8
312.87823	0.5
421.04059	3.1
481.06274	55.1
482.06659	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	481.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
66.21052	0.5
69.13532	0.6
69.55671	0.5
71.01373	1.3
85.02927	0.6
90.33205	0.6
95.01411	0.7
123.00895	1.6
125.02433	0.6
145.02943	1.8
147.04533	0.6
157.02977	0.7
157.10042	0.8
159.04521	0.6
163.04095	0.7
173.02428	0.9
175.03999	1.8
178.84483	0.6
185.02440	2.0
191.03520	1.1
201.01939	2.5
203.03548	4.3
213.01842	0.8
219.02956	0.8
223.42836	0.5
229.01405	9.2
231.03012	3.5
237.62309	0.6
245.00896	1.1
247.02576	0.9
249.04034	3.2
257.00928	6.4
258.01517	3.0
274.01196	0.9
275.01984	42.9
276.02371	3.7
283.99625	2.2
299.99106	1.4
300.99896	100.0
302.00232	8.6
317.43582	0.6
320.18079	0.7
336.64740	0.6
421.04074	3.1
481.06256	48.7
482.06650	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	481.1004
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.45045	0.6
57.03448	2.1
59.01385	6.5
61.98816	1.8
65.00338	1.1
67.01896	2.0
69.03471	0.8
69.21783	0.5
71.01384	7.9
72.99323	0.6
73.02957	0.9
79.01916	1.0
81.03461	5.5
83.01393	4.0
84.96117	0.6
85.02952	2.0
87.00871	1.0
89.02441	3.2
95.01400	2.8
95.05032	1.2
97.02960	1.7
98.19767	1.5
101.02451	2.8
107.01396	9.4
109.02959	1.1
111.00906	2.8
113.02458	2.2
119.03523	0.8
119.05078	0.6
121.03014	0.6
121.34748	0.6
123.00893	15.0
123.04530	36.8
124.01763	1.0
124.04864	1.3
125.02454	57.0
126.02774	2.4
127.00393	0.9
135.00879	0.7
136.98830	1.9
137.02477	1.2
139.00371	5.3
140.01167	4.1
141.01932	1.9
145.02945	1.9
146.57397	0.6
149.02449	1.3
150.61348	0.7
150.99168	1.0
151.00377	14.0
151.04112	0.8
152.00894	1.4
153.01982	1.2
163.04063	1.0
165.09207	0.7
167.03506	82.7
168.00659	6.0
168.03809	3.6
169.01434	55.7
170.01726	2.9
171.01889	0.7
175.00372	0.9
179.03490	1.1
181.05080	1.1
184.31595	0.6
187.13420	0.9
191.03499	5.3
193.98587	1.0
194.99393	0.8
205.04945	0.8
209.04597	1.5
211.02481	10.6
221.04507	0.9
222.15071	0.6
230.30443	0.7
241.03621	1.4
271.04593	8.2
275.01852	1.0
300.99869	1.4
313.05652	20.0
314.06128	1.4
317.03046	1.1
318.03336	1.5
319.03510	1.2
329.28534	0.8
439.08823	2.0
449.07266	2.0
480.15967	1.7
481.09888	100.0
481.17050	76.9
482.10233	12.3
482.17511	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	480.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00801	0.5
61.98839	100.0
65.00124	0.5
68.19334	0.5
69.27370	5.4
74.46910	0.5
94.70909	0.5
95.05048	1.6
98.20593	1.0
118.49982	0.5
139.04034	4.7
168.56339	0.5
301.21786	2.5
417.26501	30.2
418.26840	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	480.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48048	0.5
54.17974	0.5
59.01374	1.3
61.98836	100.0
69.70341	1.4
69.70753	1.8
78.95911	1.4
92.92738	0.6
125.02423	1.2
130.10825	0.6
139.04051	1.4
140.01248	0.6
154.33209	0.5
157.26653	0.6
160.84265	0.7
168.89996	0.6
190.59355	0.6
196.03935	0.8
246.10323	0.6
247.21873	0.7
283.26428	7.3
283.29013	0.6
284.26883	0.8
311.77393	0.6
343.24457	0.5
399.21664	0.7
417.26511	1.8
419.85162	0.5
480.31369	1.5
480.77258	0.7
481.30222	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21570	2.1
61.98833	100.0
69.75533	5.9
69.75941	5.3
71.88966	1.9
77.32935	1.9
90.77612	2.3
98.20597	3.8
98.88412	2.2
108.41142	1.9
150.56567	2.7
164.35750	2.4
166.35342	2.1
166.63283	2.1
168.25322	1.9
175.62160	2.1
181.69827	1.8
237.66484	1.8
277.09525	2.0
417.30161	11.6
418.30310	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	480.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98383	5.9
61.98835	100.0
67.06322	6.2
70.12379	22.5
86.32664	5.2
87.94486	4.8
95.02122	5.2
97.93018	5.3
98.20598	7.9
120.15189	5.4
120.85346	4.6
127.62897	5.2
139.26335	5.1
176.27646	4.8
199.86159	6.1
236.11272	5.4
239.22737	6.6
400.77774	6.2
425.36734	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	480.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32680	2.8
61.98831	100.0
66.31086	3.6
70.76099	8.6
81.03446	4.1
97.81911	2.8
169.72197	3.0
247.71133	2.9
255.41721	2.9
267.83319	3.4
373.31125	10.9
397.11734	3.1
417.30212	43.2
418.30045	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	480.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.01647	1.1
59.99149	0.9
61.98834	100.0
81.03482	2.3
84.40130	1.2
95.01413	1.9
102.99807	1.0
108.35230	1.1
124.01662	1.8
125.02438	8.5
151.00362	2.1
152.01154	4.2
159.62865	1.0
166.02721	4.7
167.01811	1.0
179.03516	4.5
191.10818	1.3
197.11951	1.1
235.09778	2.5
291.15988	1.4
313.11041	1.1
373.23370	1.2
417.22833	81.6
418.23151	12.0
422.99106	1.3
480.26431	2.2
504.23877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37917	1.0
51.41115	0.9
59.01376	4.4
60.10880	1.1
61.98835	100.0
63.06304	1.0
64.11539	1.0
66.98099	0.9
69.66412	0.9
71.05027	1.3
78.95914	5.5
87.00859	3.6
87.81122	0.9
91.99724	0.9
95.05042	1.3
98.19829	1.9
98.94396	1.0
99.04499	1.7
104.85641	0.9
125.02480	1.8
136.05370	1.1
139.04002	3.0
152.99605	8.4
166.02708	1.4
180.04306	1.7
182.31766	1.1
214.55022	1.0
227.03227	1.4
229.41360	1.4
245.04291	7.8
253.21701	5.8
261.18515	1.4
417.26477	24.0
418.26636	3.6
445.08786	3.4
481.25269	10.5
481.31772	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	480.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42584	2.7
57.03451	4.5
61.98835	100.0
69.56329	9.1
69.56750	5.8
81.03461	6.4
83.01369	2.6
98.19855	2.8
124.01609	2.6
125.02455	22.6
126.79960	2.2
142.17921	2.0
142.90091	2.4
196.64986	2.2
228.03780	2.1
231.09441	2.1
273.18585	3.0
299.20178	2.4
343.19247	3.7
353.85095	2.4
399.21786	5.1
417.22836	97.7
418.18396	2.5
418.23114	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	480.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
61.98835	100.0
69.63069	5.8
69.63474	4.8
70.04269	1.5
77.71844	1.6
81.03463	5.1
86.90612	1.4
87.60046	1.8
107.69875	1.6
125.02457	19.0
132.53061	1.8
151.00375	1.8
183.87709	1.6
258.37686	1.5
299.20300	2.0
315.23236	1.6
326.74335	1.7
374.70615	1.7
399.21863	3.5
417.22830	95.6
418.23257	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	479.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03447	1.4
57.89081	0.3
58.62756	0.3
59.01383	0.8
69.03462	0.4
69.49910	0.7
69.50320	1.9
70.99426	0.3
71.01390	0.7
71.05031	0.6
71.19997	0.3
73.02944	1.6
75.45115	0.3
79.01903	1.4
81.03470	0.9
83.05043	0.4
84.02194	0.5
85.02961	3.7
85.06594	10.0
85.07092	0.6
89.31587	0.3
95.05050	2.1
97.02951	3.5
107.05031	0.4
109.06599	6.0
111.04529	6.5
123.04536	0.6
124.01629	0.4
124.80703	0.4
125.02482	0.7
135.04543	0.9
136.05353	0.3
138.03229	0.6
139.04022	0.9
151.04024	0.9
152.04858	1.6
153.05586	90.9
154.05920	3.7
165.01939	1.9
179.03491	4.2
180.04305	7.0
193.05087	1.0
194.05815	3.5
205.12279	0.4
207.06654	5.5
207.13782	0.4
208.07259	0.7
212.03268	1.0
219.14056	0.7
219.17551	1.2
221.08205	1.9
235.09763	0.6
236.10466	0.4
240.00307	0.3
247.17006	0.4
249.11232	1.5
263.12903	2.6
264.13666	0.7
275.20148	2.3
277.14365	0.3
317.17603	0.5
318.18311	1.2
319.19043	2.8
347.18692	0.4
363.00558	0.3
405.22885	0.6
479.26532	100.0
480.26877	14.3
480.33948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2652
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
50.17637	0.5
51.23777	0.4
51.36999	0.5
55.01890	1.0
57.03453	1.1
58.64457	0.4
59.01395	0.8
69.03467	0.6
69.50858	1.8
69.51283	1.9
71.01401	0.6
71.05020	0.7
73.02954	0.8
79.01898	1.0
80.33611	0.5
83.05038	0.5
85.02968	4.0
85.06598	10.5
94.90631	0.5
95.05012	0.5
96.92967	0.6
97.02942	3.0
102.58685	0.4
104.18571	0.6
104.82869	0.5
109.06606	4.7
111.04537	5.5
120.82172	0.5
135.04543	0.7
139.04083	0.7
152.04810	1.7
153.05585	100.0
154.05942	3.2
165.01944	1.9
169.58437	0.6
173.19830	0.6
179.03525	4.4
180.04320	8.7
181.04636	1.0
193.05074	1.9
194.05836	3.6
207.06622	4.9
208.07321	1.1
212.03177	0.8
219.17592	1.0
221.08267	1.3
235.09787	0.9
249.11375	1.6
263.12888	2.8
275.20218	2.4
318.18365	1.4
319.19101	2.6
405.22842	0.8
479.26538	98.0
480.26880	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	479.2652
Annotation	Scutalpin O
Peak:m/z	Relative Intensity
57.03452	25.1
59.01384	9.8
61.98837	44.2
71.05027	7.6
71.60823	3.5
79.01897	8.0
81.03467	14.5
83.05041	2.9
85.02962	83.1
87.00887	7.2
87.04519	48.2
95.05016	11.6
97.02941	6.2
99.04531	12.2
108.02190	3.4
111.00945	3.8
123.04537	64.0
124.01707	5.8
125.02457	79.0
138.03236	5.6
139.04044	9.9
141.05554	7.9
149.20027	3.1
151.00383	6.2
166.02643	3.9
167.03500	11.4
179.03453	6.3
287.20203	30.4
289.14456	3.3
299.20190	5.5
301.21774	5.4
316.02295	9.1
329.21210	23.8
331.19016	10.2
361.23853	7.6
375.25464	9.4
379.24756	17.2
391.24722	6.3
399.25348	11.4
416.21756	7.0
417.22342	10.6
417.26981	46.3
418.26715	5.2
419.24411	100.0
420.24826	10.3
433.25897	27.3
435.27377	8.2
461.25479	24.8
462.25845	7.1
479.08578	3.9
479.26169	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	480.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.0
61.98833	11.0
69.75297	6.5
71.01385	10.3
71.05046	1.6
73.02966	3.1
78.05296	1.2
85.02946	1.7
87.00887	1.8
87.02774	1.2
89.02473	1.8
91.01939	1.1
95.01407	2.1
99.00896	1.5
101.02448	5.7
107.01420	5.1
109.03024	1.3
111.00891	3.9
112.72127	1.1
113.02489	1.3
115.15060	1.2
117.05614	3.7
119.05031	16.4
120.05382	10.0
121.05617	3.8
123.00896	14.2
123.04533	1.8
125.02452	27.0
126.02779	6.6
127.02926	2.7
131.01724	1.8
135.00931	2.7
136.98938	1.5
137.02466	1.9
139.00415	4.6
139.04031	1.4
140.01141	2.3
141.01955	2.4
145.02985	4.6
146.08258	6.4
151.00377	11.4
152.00648	1.4
161.02464	2.1
163.04007	5.8
164.04373	3.2
165.01979	2.1
167.03534	2.2
168.00655	4.3
169.01425	35.8
170.01770	8.2
171.01872	7.2
172.02263	3.1
175.08844	1.2
191.07205	1.1
201.11368	1.6
211.02466	2.5
212.02876	1.5
229.01443	1.9
265.07071	1.7
271.04678	4.9
272.05243	2.1
275.02042	3.4
299.99149	2.1
300.05872	1.6
300.99857	11.1
313.05765	4.8
314.06110	4.2
315.06369	4.5
316.06277	6.0
317.02802	1.3
317.06732	2.0
380.15988	1.8
417.14038	100.0
418.14209	10.5
422.16867	2.5
474.83902	1.2
480.11505	46.9
480.20731	5.8
481.11566	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03453	26.6
58.00588	2.1
59.01379	54.4
61.98833	12.1
69.03459	3.7
70.76627	0.9
71.01385	55.3
71.22497	0.9
72.01727	1.0
72.99313	4.3
73.02959	4.4
78.22964	0.8
81.03469	2.3
83.01391	2.4
85.02946	6.7
87.00887	4.2
89.02446	75.0
95.01375	2.2
96.55180	0.8
97.02955	4.5
98.02778	0.9
99.00911	1.4
101.02448	16.5
102.02763	1.2
107.01389	1.0
111.00891	2.7
113.02450	9.9
117.05620	1.1
119.03510	2.8
123.00805	1.3
125.02449	21.4
125.09728	3.1
126.83714	0.9
131.03496	19.0
136.99153	1.3
139.00410	1.2
139.03961	1.2
143.03508	2.2
147.04523	23.3
149.04564	24.4
151.00464	1.1
154.73488	1.0
161.04572	1.0
165.05577	4.4
167.03535	1.3
169.01398	6.6
183.10266	1.0
185.11830	100.0
186.12202	4.4
190.15309	0.9
191.05608	7.9
198.37953	1.0
201.99054	0.9
209.11772	0.9
211.02472	5.0
229.49866	1.2
233.06660	3.6
259.99530	1.0
271.02225	2.2
271.04691	2.9
272.99908	1.1
285.97571	1.9
287.02039	1.8
288.58270	0.9
293.08810	25.9
294.09091	1.7
299.99170	1.7
300.99649	2.6
301.99731	4.2
313.05624	1.1
316.02170	7.4
317.02283	5.0
327.07077	1.1
327.10858	22.4
327.14575	1.8
328.11316	1.2
336.99734	1.0
461.03699	3.9
479.06036	1.4
479.12607	25.5
480.12573	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
56.49035	1.4
57.03451	10.9
58.00596	3.8
59.01384	76.7
60.20710	1.4
61.98830	1.8
67.01868	1.8
68.38030	1.6
69.03448	7.2
70.31847	5.1
71.01385	87.2
72.99299	5.2
73.02962	14.4
74.99076	1.7
75.00887	3.4
79.01884	2.4
81.03460	6.7
83.01384	5.1
85.02973	8.9
87.00877	2.8
87.58601	1.5
89.02449	100.0
90.02764	2.1
95.01390	3.4
97.02968	15.2
99.00880	17.7
99.04493	2.4
101.02451	25.5
107.01377	8.8
111.00891	4.8
113.02467	11.1
115.04024	7.1
119.03519	1.8
119.05061	2.6
119.08682	1.9
123.00883	12.9
124.01695	1.9
125.02455	77.8
125.09711	2.2
126.02808	2.3
131.03516	17.7
137.02423	3.1
138.01997	1.7
139.00388	4.3
140.01125	5.7
141.01921	1.8
143.03500	4.9
149.02545	2.0
149.04553	28.2
150.03178	2.3
151.00365	14.4
161.04558	2.6
165.05583	3.3
165.09210	15.9
168.00684	2.7
169.01436	46.4
170.01765	2.2
178.99832	2.3
185.11824	34.9
191.05630	12.8
209.11871	3.1
233.06642	39.1
239.13031	3.6
243.02864	1.8
245.80353	1.5
271.02396	5.0
285.97638	3.3
287.01956	3.9
293.08792	65.9
294.09045	4.8
300.99915	2.9
301.03253	2.6
303.04007	3.5
313.05624	10.2
316.02216	14.8
317.02972	3.8
461.03723	5.1
479.08109	10.7
479.15558	88.4
480.09048	2.7
480.15701	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	479.1927
Annotation	Briarlide H
Peak:m/z	Relative Intensity
50.86455	0.3
55.01861	0.9
57.03440	1.1
58.00584	0.7
59.01383	11.8
60.01706	0.3
61.98829	3.7
65.00335	0.5
67.01884	0.9
68.99774	0.3
69.03444	1.0
71.01385	11.8
71.05013	1.2
71.60964	0.5
72.99307	1.0
73.02963	2.3
79.01901	1.1
83.01385	2.5
83.05040	0.5
85.02959	5.8
87.00886	1.6
89.02448	5.5
93.03463	0.4
95.01383	1.8
95.05029	0.8
96.95995	0.9
97.02948	1.5
99.00876	1.1
99.04470	0.5
101.02451	9.2
101.06106	0.4
102.15059	0.3
107.01400	3.8
108.46203	0.3
109.02970	0.8
110.00111	0.5
111.00888	3.3
111.04492	0.5
113.02449	4.9
119.03520	1.9
123.00894	13.5
123.04516	0.9
124.01709	1.5
125.02454	22.0
126.02742	0.6
127.00357	1.2
127.04038	0.5
135.04533	0.4
135.08197	0.3
136.05301	0.8
136.98830	2.0
137.02417	1.2
137.06140	0.3
138.03226	0.4
138.34898	0.3
139.00388	4.9
139.04013	9.9
140.01184	4.3
141.01926	2.1
143.03477	0.8
145.03001	0.6
149.06062	0.3
151.00385	10.0
151.03973	0.9
151.07646	0.5
152.00729	0.3
153.01920	0.4
153.05518	0.6
159.02934	0.5
160.38086	0.3
161.04532	2.4
163.03981	0.5
163.91095	0.3
165.01900	0.7
165.09125	0.8
167.03506	1.0
168.00644	7.2
169.01431	27.5
170.01768	1.4
175.00301	0.4
181.05054	0.6
181.49615	0.3
181.65819	0.3
185.57263	0.3
191.03535	0.4
205.05017	0.5
207.39293	0.4
209.04427	0.4
211.02489	17.9
212.02701	0.7
271.04666	10.7
287.02014	0.7
289.07214	0.7
300.99857	0.5
303.00555	0.5
313.05539	0.7
316.02316	3.0
317.03119	0.9
317.19675	1.0
317.26996	3.7
347.20822	0.4
364.94873	0.3
386.21201	0.3
417.22888	0.5
419.25314	0.4
479.19211	100.0
479.32227	5.9
480.09137	0.6
480.19565	13.1
480.31445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.9
57.03443	1.3
59.01385	4.7
59.60210	0.4
61.98833	6.6
66.03481	0.4
66.23251	0.4
68.99821	0.7
69.27207	4.1
71.01386	5.6
72.99319	0.7
73.02966	1.8
78.95917	0.7
79.01922	0.5
81.03446	0.4
83.01391	7.8
83.05029	0.6
85.02964	3.3
86.00032	0.4
87.00904	0.7
89.02457	2.0
95.01408	0.5
95.05043	0.8
96.95992	1.2
97.02962	0.8
99.00898	1.3
99.04507	0.5
101.02464	4.0
101.52573	0.3
106.06637	0.4
107.01353	0.5
109.02951	1.0
110.02512	1.0
111.00890	100.0
112.01226	2.3
113.02435	3.0
117.05572	0.6
119.05012	0.7
119.08736	0.5
120.05835	0.4
120.99648	0.7
122.03739	0.4
123.04492	0.9
125.02465	2.6
133.06628	0.4
133.10236	1.0
135.04547	0.9
135.11829	2.9
137.02509	0.8
139.04030	0.7
145.02977	0.9
146.07411	0.4
149.06119	0.7
151.00436	0.6
151.03987	0.7
151.07668	0.7
153.05630	0.5
156.13774	0.4
159.08107	0.8
159.11824	0.5
161.04608	2.1
161.05775	0.4
161.09724	5.8
163.07640	0.6
165.01941	0.9
179.03430	0.4
179.10777	12.0
180.11166	0.7
180.12714	0.4
186.12865	0.5
197.19022	0.4
201.12949	0.4
203.07074	0.5
203.10794	1.3
215.10802	0.4
223.09802	0.9
223.94267	0.4
229.08681	0.9
242.05890	0.5
245.11836	0.7
247.09813	0.7
255.11348	0.4
257.08105	0.7
265.10880	0.7
270.27069	0.4
271.02496	1.2
273.06082	0.6
274.10864	0.6
287.01971	0.6
289.07462	0.4
289.10809	1.0
300.99902	0.5
303.00418	0.5
307.11868	0.7
315.04926	0.4
316.02197	2.5
317.02939	1.1
317.08975	0.5
317.26923	0.5
323.15048	0.8
354.62790	0.4
367.13937	1.1
417.22913	0.5
419.24957	0.4
420.10712	0.6
435.16681	0.7
479.08496	2.1
479.15454	0.9
479.20493	1.1
479.26617	2.2
479.31735	2.1
480.26392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26777	0.6
59.01389	2.7
61.98844	0.6
65.00325	1.6
67.01911	1.2
69.36825	2.2
69.37249	2.5
71.01388	2.8
72.99307	1.0
79.01900	1.1
81.23914	0.6
83.01385	1.5
85.02950	1.4
87.00892	0.8
89.02440	0.9
95.01385	2.4
97.02933	0.9
101.02438	2.8
107.01393	5.7
109.02975	1.8
111.00903	2.4
113.02449	1.0
122.99990	0.7
123.00894	17.4
124.01682	1.5
125.02448	17.4
127.00316	0.9
136.98805	2.3
137.02460	4.0
139.00392	6.3
140.01180	4.2
141.01952	1.5
151.00380	20.7
152.00888	0.9
153.01918	0.9
163.04050	0.9
164.01196	0.8
165.05464	0.7
165.09218	6.9
168.00642	4.2
169.01431	18.1
170.01767	0.9
178.99864	8.3
192.00745	0.5
211.02460	0.7
264.75620	0.5
271.02414	1.3
277.13861	0.6
287.02191	0.6
300.99982	0.7
316.02216	5.8
317.03003	18.2
318.03394	1.4
350.19876	0.5
461.07156	0.7
466.34879	0.5
467.39059	0.6
479.08334	20.3
479.15576	100.0
480.08627	2.2
480.15829	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	479.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
57.01627	0.3
57.03447	0.8
58.00592	0.5
59.01384	6.0
61.98837	5.2
68.99802	0.4
69.03468	0.6
69.37442	3.1
71.01385	7.6
71.05010	0.5
72.99307	0.6
73.02942	1.8
75.00852	0.5
77.25584	0.4
81.03442	0.3
83.01394	6.5
83.05030	0.7
85.02950	3.2
87.00868	0.6
89.02444	2.0
89.26415	0.4
93.03436	0.4
95.01390	1.2
96.96021	1.0
97.02950	0.9
99.00889	0.9
99.04535	0.7
100.99876	0.4
101.02439	4.1
106.06624	0.9
109.02951	0.9
110.02515	0.7
111.00887	100.0
112.01233	1.8
113.02450	3.6
119.03555	0.5
119.05035	1.0
120.05802	0.6
120.99671	0.8
121.02972	0.4
123.04518	1.1
125.02457	2.1
127.04008	0.5
129.01910	0.7
133.10249	1.0
135.04559	0.9
135.11813	3.3
137.02419	0.6
139.04045	0.4
139.61034	0.4
143.03493	0.8
145.02922	1.0
146.07358	0.6
149.04581	0.4
151.00381	0.8
151.03999	0.5
151.07628	0.6
153.05554	0.8
159.08118	0.7
159.11801	0.6
161.04588	2.3
161.09721	5.7
162.10104	0.4
169.01480	0.7
175.11324	0.5
177.12769	0.4
179.03510	0.4
179.10780	11.5
180.11063	0.4
185.09785	0.6
203.10783	1.7
205.08856	0.6
223.09741	0.8
229.08745	0.9
231.10127	0.4
242.05864	0.5
245.11821	0.6
247.09830	0.9
257.08209	0.6
265.10922	0.5
270.98724	0.5
271.02444	0.8
274.10876	0.5
285.97571	0.6
287.01974	0.9
289.10907	0.9
300.99942	0.8
302.00378	0.4
303.00482	0.7
307.11761	0.8
316.02185	3.8
317.02881	0.9
317.26828	0.7
323.15121	0.4
367.13907	1.1
368.13647	0.4
420.10284	0.6
435.16586	0.9
461.03732	0.8
479.08051	1.9
479.15427	1.0
479.20313	1.5
479.26645	2.1
479.31635	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	479.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01385	7.7
69.03455	1.1
70.18147	1.9
71.01385	4.5
72.99303	1.0
73.02954	1.7
75.00894	1.3
79.01904	0.7
83.01402	1.5
85.02951	2.4
87.00880	1.1
87.04504	1.1
89.02437	3.2
95.01391	2.4
96.96004	0.6
97.02962	0.6
98.20628	0.6
101.02445	3.1
107.01395	5.5
111.00877	2.4
113.02447	1.5
117.05581	1.5
119.03494	1.9
122.99989	0.7
123.00900	14.2
124.01629	0.6
125.02453	22.3
127.00434	0.8
136.98782	0.9
139.00389	3.9
139.04012	0.6
140.01151	2.2
141.01949	1.6
145.02991	0.8
149.02588	0.6
151.00378	10.7
151.03972	0.6
153.01921	0.7
154.80608	0.5
161.02470	1.0
165.01979	0.7
165.07724	1.2
166.99831	0.8
168.00671	3.5
169.01433	35.1
170.01797	2.1
191.03537	0.9
203.03517	0.8
211.02477	12.4
217.01401	0.9
245.00871	1.0
249.04039	0.6
257.00766	0.6
270.99057	0.8
271.04602	14.3
272.05151	0.9
273.00491	1.1
275.02078	1.3
298.98346	1.8
299.07797	0.7
300.99951	1.9
303.00375	0.9
313.05609	2.9
314.06149	0.8
327.09567	1.3
331.06683	1.0
479.14163	100.0
480.14456	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	479.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
60.81716	1.0
60.99311	15.2
61.98825	4.4
68.11815	1.0
71.01385	5.1
72.99362	1.1
73.02943	1.1
79.67587	0.9
83.01409	1.4
85.02955	2.6
87.00835	0.9
88.98814	94.6
89.02415	1.5
89.99121	1.1
95.01398	1.4
96.96044	1.5
97.02965	1.1
101.02439	3.9
111.00868	2.5
113.02471	2.7
123.00867	9.7
125.02455	12.1
139.00365	3.8
140.01135	2.0
142.03665	1.1
145.02992	1.1
151.00385	10.5
151.03995	1.1
161.02432	1.5
161.04555	1.1
163.04051	1.1
168.00656	4.0
169.01430	19.5
170.01828	1.5
175.03877	1.1
185.02481	1.1
211.02400	2.2
229.01404	1.6
231.02243	1.0
245.00922	1.7
271.04678	2.4
285.00128	1.2
298.98346	1.5
299.99048	2.6
300.99875	24.3
302.00159	19.6
303.00424	43.2
304.00714	2.0
313.05594	2.5
316.01968	1.2
380.92801	1.2
389.10886	100.0
390.11154	9.3
415.12167	1.5
417.10391	3.9
479.03616	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	479.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02914	0.9
59.01380	18.0
65.00341	1.0
65.69299	1.0
67.09095	1.1
71.01381	10.6
71.30402	1.2
71.30730	1.2
72.99313	1.3
73.02953	19.3
83.01352	1.7
85.02950	2.3
87.00875	5.1
89.02446	11.9
95.01350	1.5
96.96013	2.3
99.00890	2.6
101.02443	7.6
107.01372	2.8
111.00891	2.3
113.02448	4.3
114.89651	1.3
117.01910	1.9
119.03516	5.6
123.00881	4.8
124.01668	2.7
125.02450	25.7
127.00416	1.1
136.98869	1.7
139.00380	3.2
139.03943	2.1
140.01146	4.1
151.00359	2.0
161.02466	1.4
165.02011	1.3
166.99783	1.2
167.03484	1.9
168.00624	16.8
169.01436	42.1
173.02431	2.5
178.55077	1.0
189.01942	2.6
191.03491	1.4
201.01906	2.5
203.03467	1.1
211.02481	79.0
212.02776	2.9
217.01402	2.7
229.01440	1.4
235.02412	1.1
242.99361	1.3
245.00931	1.6
247.02498	2.8
270.98621	3.4
271.04596	98.7
272.05029	5.8
273.00290	3.0
275.02032	2.3
298.98315	4.5
299.99066	1.2
300.99857	5.4
311.70300	1.1
327.09344	34.0
328.09558	2.2
331.06711	17.6
332.06976	1.3
451.05167	2.1
461.09549	9.2
479.10342	100.0
480.10846	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	479.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.5
59.01385	7.7
59.44861	0.5
67.01911	0.4
68.99830	0.5
69.03433	0.6
70.36875	0.7
71.01388	6.0
72.99305	0.6
73.02958	1.0
73.63549	0.5
79.01887	0.9
83.01402	1.3
85.02953	1.2
87.00957	0.6
89.02441	4.4
95.01389	1.2
96.95997	0.6
101.02447	3.6
107.01380	5.2
111.00909	1.4
111.04520	0.5
111.90334	0.6
113.02425	2.3
117.05601	0.8
119.03524	1.1
120.99628	1.6
123.00900	10.9
125.02453	20.0
126.02831	0.7
127.00464	0.8
136.98967	0.7
137.02449	0.5
139.00391	3.6
140.01135	2.1
141.01965	1.4
147.06689	0.7
151.00385	6.8
161.04565	0.5
165.01900	0.6
165.07672	2.7
166.99873	0.7
168.00676	3.4
169.01440	28.7
170.01756	1.2
177.01955	0.6
179.03600	0.6
211.02493	11.4
212.02869	0.8
217.01381	0.5
221.27846	0.5
241.03455	0.8
249.03928	0.5
253.03531	0.5
271.04596	15.3
272.05054	0.9
273.00412	0.6
275.02066	0.6
300.99942	2.3
302.00223	0.9
303.00449	1.9
313.05743	2.0
325.50406	0.5
331.06482	0.7
347.31943	0.5
422.07819	0.5
432.67969	0.5
479.14093	100.0
480.14307	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	479.0832
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.40603	0.9
58.97806	0.8
60.00290	0.7
61.17529	0.8
62.50954	0.8
63.24313	0.9
64.74017	0.8
69.30065	2.7
69.30489	6.0
98.20651	1.7
107.01395	1.8
124.01676	4.4
125.02390	1.2
135.00874	1.5
137.02455	3.2
151.00381	7.4
152.01112	1.1
163.00381	2.1
164.01160	2.9
178.99866	7.9
187.37560	1.0
199.03920	1.1
203.03554	1.3
204.04240	1.1
214.02724	11.4
225.04231	0.9
227.03523	1.5
242.02292	6.6
243.02936	5.3
246.21703	0.8
259.02493	8.7
270.01688	9.8
271.02478	55.9
271.66122	0.8
272.02795	4.3
287.02014	32.0
288.02466	4.5
316.02246	100.0
317.02899	21.2
318.03394	1.6
479.08295	92.4
480.08713	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	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01922	0.4
59.01382	2.7
60.70318	0.4
61.98832	5.6
65.00330	1.3
69.73971	2.2
71.01402	2.2
73.02969	0.7
83.01400	0.6
85.02943	0.8
87.00867	0.8
89.02444	1.1
93.03473	0.8
95.01403	1.7
98.20619	0.6
99.00880	0.5
101.02438	1.3
107.01379	1.3
108.02150	0.4
109.02966	1.7
110.00108	1.5
111.00895	6.6
113.02448	0.6
119.99612	0.4
121.02985	3.3
123.00922	2.8
123.04529	1.3
124.01646	0.9
125.02484	3.3
133.02843	0.4
135.04492	0.8
136.98827	1.6
137.02434	1.1
137.99635	0.8
139.00392	11.6
139.04031	3.2
140.01093	0.7
149.02441	2.1
149.04582	0.7
150.03201	0.6
151.00421	3.7
151.04004	1.3
152.01208	0.5
153.01921	0.7
159.04616	0.5
160.01674	1.7
161.02293	0.9
161.04501	0.5
162.02110	0.5
163.00392	1.2
164.98300	1.3
165.01941	0.6
165.05591	1.7
165.99078	3.5
166.99870	12.5
169.01466	3.4
171.04437	0.5
172.05319	0.5
173.02472	0.7
175.04042	2.6
176.04340	1.0
177.01932	1.2
177.04562	0.5
178.99863	2.1
179.10863	0.6
183.04480	0.7
190.02759	0.8
193.01314	0.5
193.98552	1.1
194.99367	6.3
197.04778	0.5
198.03265	0.5
199.04002	2.5
201.05510	0.5
203.03516	0.9
208.00150	1.4
214.02721	0.5
217.05099	0.5
218.02017	0.7
227.03532	1.8
231.03043	1.7
232.03577	0.9
243.02959	2.4
245.04581	2.2
255.03026	1.2
259.02411	0.6
271.02393	5.4
271.04486	0.5
272.02957	0.9
273.04083	1.4
287.02045	2.2
299.01990	4.6
299.05591	1.2
303.00528	0.6
313.05716	0.7
316.02255	7.5
316.05643	0.7
317.03052	100.0
318.03394	8.8
339.09601	0.5
347.24774	0.7
479.07458	7.3
479.15784	3.5
479.25336	1.0
480.08524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32718	0.6
61.98833	100.0
69.34691	5.3
69.51220	0.7
78.95935	1.0
80.95798	0.8
95.05022	1.1
139.04050	2.5
146.96561	0.6
165.01874	1.0
166.02702	1.3
180.04330	1.4
188.20663	0.7
193.05020	1.1
301.21677	0.8
329.07486	0.7
345.21051	0.9
415.24939	31.6
416.25308	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.60773	3.0
85.02975	3.6
85.25829	2.6
99.13667	2.8
102.09099	3.2
106.53040	3.6
121.40081	2.7
150.86661	2.5
181.14371	4.0
199.56499	2.7
371.29575	7.5
415.28516	38.1
416.28888	5.7
478.32513	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	478.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
100.75161	1.4
105.62244	1.4
266.57037	1.6
415.28748	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	478.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11528	0.6
55.50767	0.7
61.98836	100.0
69.60452	5.2
96.96010	1.2
98.20692	1.5
111.97379	0.9
111.99960	0.8
127.56651	0.8
159.74644	0.9
201.95668	0.9
261.79880	0.8
275.89133	0.8
312.82175	0.8
360.38370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
56.97231	0.8
59.92890	0.7
62.35980	0.7
69.59114	3.1
69.59524	1.5
90.02316	0.8
95.01355	1.6
96.99332	0.9
107.01405	1.0
108.02181	0.9
109.02940	1.4
110.00099	7.0
111.00893	4.5
121.02956	1.0
123.00881	3.8
124.01647	1.8
135.00862	1.2
136.98868	1.5
137.99571	2.7
139.00391	12.8
149.02464	0.9
151.00348	1.7
151.04021	1.0
153.58945	0.7
160.61044	0.8
161.02388	0.8
165.99055	9.8
166.99907	5.5
168.95515	0.7
171.04469	1.7
174.03174	1.1
175.88631	0.7
178.99873	8.4
186.03238	0.9
187.03955	1.2
190.02733	0.9
194.99237	2.1
198.03268	2.8
199.02271	0.8
199.03986	2.6
201.02022	1.3
204.79242	0.8
208.00130	0.9
214.02594	1.0
215.03468	1.7
226.02676	1.3
227.03539	3.4
231.02927	1.5
234.36362	0.8
242.02246	6.3
243.02933	9.1
244.03668	2.7
255.03050	0.8
259.02438	3.7
260.03061	1.8
270.01694	11.9
271.02472	42.1
272.00009	1.0
272.02820	4.6
272.06650	1.2
287.01981	47.7
287.08920	3.8
288.02368	5.6
299.02002	2.2
300.99973	1.7
303.00470	1.4
315.01443	1.8
316.02228	73.0
317.02933	33.3
317.10229	3.9
318.03351	2.1
332.01602	1.5
333.27441	0.8
479.08313	100.0
480.08710	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	478.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58758	1.2
57.03460	1.4
61.98834	100.0
65.44002	1.4
68.76105	1.3
69.73072	8.1
78.95930	2.3
81.03490	2.2
81.04781	1.4
83.53942	1.2
85.38157	1.3
95.01410	2.0
106.27508	1.4
115.07582	1.5
125.02440	14.0
139.04005	2.0
151.00346	1.4
166.02586	1.4
169.13495	1.5
179.03470	1.9
302.00085	1.6
332.43500	1.7
386.53455	1.7
415.20154	6.1
415.25101	4.7
456.89963	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	478.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25479	0.9
61.98833	100.0
69.66142	6.0
70.74172	0.9
89.34377	1.0
93.92651	0.8
93.93349	0.9
98.20623	1.0
171.87946	1.0
198.49158	0.9
257.31445	0.9
259.97235	0.9
287.99240	0.9
302.00296	1.4
349.35480	0.9
369.91180	1.2
409.02554	0.9
415.24881	1.2
435.34769	1.7
442.08008	1.0
451.92944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80046	1.0
61.98834	100.0
63.38134	1.0
69.26278	6.1
69.26711	3.8
71.05020	2.8
74.14285	1.0
95.05039	1.6
121.94029	0.9
139.04033	5.0
155.80684	1.0
221.31303	1.1
302.00162	1.6
378.02454	1.1
415.24905	27.7
416.25204	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	478.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.60538	1.9
85.02956	1.9
97.31433	1.6
121.56696	1.2
125.02454	3.0
157.17253	1.2
165.05531	2.0
177.05524	1.8
191.03433	1.4
196.89313	1.3
205.46126	1.3
207.13855	1.4
223.40373	1.3
300.99789	3.8
302.00162	5.0
316.02005	1.3
353.17505	1.7
371.18716	16.0
372.18698	3.3
393.22800	1.9
397.20251	2.7
415.21255	87.9
416.21588	9.7
478.27759	2.1
478.33420	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	478.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94199	0.8
57.03460	2.2
61.98834	100.0
64.03553	0.9
64.93325	0.7
66.86102	0.8
69.38413	0.8
70.38947	1.9
70.39309	2.1
78.95903	2.8
81.03470	2.4
95.05008	0.8
96.96008	1.0
97.02948	0.9
102.54525	0.8
125.02458	12.5
133.45612	0.9
138.53046	0.9
139.04007	1.3
151.00374	1.2
155.38177	0.9
166.02664	1.0
301.00055	1.2
302.00235	2.3
316.02237	1.2
331.02548	1.2
415.20880	5.6
415.25864	9.0
416.25650	1.7
462.83380	1.0
478.29083	1.0
497.28015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
57.97569	1.9
59.01394	1.2
61.98836	100.0
63.41911	0.7
69.62704	5.6
81.03459	3.2
83.05045	1.3
85.02962	3.1
91.44141	0.9
92.96955	0.8
95.05068	1.4
97.06578	1.7
98.19956	1.4
109.48698	1.0
113.02485	0.9
122.03701	1.5
123.04553	1.7
125.02445	11.0
130.97942	0.8
132.67418	0.9
151.00414	1.1
153.05579	3.5
154.05940	1.3
285.18628	1.0
300.99753	1.8
302.00174	2.3
371.18604	1.4
390.23944	1.1
391.24994	3.1
415.21274	52.7
416.21506	5.9
418.23300	2.0
460.24234	1.5
478.28867	7.3
478.35971	2.9
499.06174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86833	1.6
60.39040	1.5
61.98836	100.0
69.30030	1.8
69.68083	12.0
74.87102	1.7
85.06583	1.9
85.22974	1.7
87.04463	1.7
98.19879	3.1
98.20470	3.9
100.75141	1.7
108.80093	1.5
119.17035	1.6
124.05299	5.7
153.05591	16.7
178.92056	1.7
180.04221	4.9
207.06674	2.7
302.00314	3.3
330.75290	2.0
404.95395	1.7
415.21271	43.0
416.21561	5.0
477.58749	2.1
478.25122	10.7
479.25873	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	478.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
59.01389	1.4
61.98834	100.0
69.67240	5.3
75.92989	0.9
81.03462	2.9
83.05024	1.2
85.02972	1.2
88.98779	0.9
95.01379	4.6
98.19955	1.7
98.20514	1.6
103.02866	0.9
109.02915	1.6
114.81948	1.0
120.14409	1.1
123.00880	2.4
123.04532	1.9
124.01685	5.2
124.05283	3.9
125.02452	20.3
127.03989	1.6
140.11357	1.0
151.00351	3.8
151.04012	1.7
152.01157	7.0
153.05551	1.3
166.02693	6.4
179.03520	5.2
193.05008	2.3
207.06636	1.5
221.08246	1.1
235.09755	4.4
253.72803	1.0
290.15085	1.5
290.18301	1.0
291.15900	1.3
301.00092	1.1
302.00101	1.3
391.24875	2.0
397.20139	1.4
409.69464	1.0
415.21262	67.6
416.21570	10.5
418.23047	1.4
460.24045	3.0
461.24948	1.4
478.25241	9.9
479.26331	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01389	4.6
61.98832	100.0
71.01386	4.1
72.99303	0.8
85.02953	0.8
86.82086	0.4
88.98807	2.0
89.02441	3.8
96.96021	0.9
97.02949	0.6
99.04536	0.5
99.80261	0.5
101.02457	1.9
107.01398	0.5
113.02462	1.8
117.03446	0.5
119.05022	1.3
120.05368	0.4
121.62818	0.4
123.00890	1.1
123.04546	0.8
125.02473	3.9
125.09726	0.5
145.02908	0.6
147.04547	2.3
149.04538	1.1
151.00381	0.6
158.34164	0.5
161.02440	0.5
161.04596	0.6
163.04050	0.5
167.03482	0.4
168.00571	0.6
169.01447	4.1
183.10265	1.3
185.11816	5.0
193.05014	0.5
199.09814	0.6
211.02420	1.9
214.02837	0.7
270.98700	1.8
271.02267	2.1
271.04825	3.1
271.99219	3.2
285.97476	1.5
287.01865	1.6
293.08731	1.3
298.98181	1.9
299.98999	12.2
300.99496	17.3
302.00067	4.0
314.00378	0.9
314.97879	0.8
315.01294	8.5
316.01880	19.7
317.02505	1.0
317.06485	1.3
327.10837	1.2
348.53308	0.6
365.93994	0.6
368.64633	0.6
388.13068	1.5
435.12546	1.1
461.03433	2.9
478.06747	17.1
479.06412	4.5
479.12375	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	478.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74102	1.0
59.01379	4.1
61.98834	8.8
69.57298	4.2
69.57720	3.4
71.01379	3.8
83.01382	1.6
85.02935	3.0
89.02448	1.9
95.01389	1.7
96.95977	1.1
101.02453	1.6
107.01395	2.8
111.00870	2.2
123.00875	10.1
123.96507	1.1
125.02460	15.6
133.61897	1.2
136.98820	1.3
139.00375	3.8
140.01167	2.8
151.00394	8.8
168.00626	2.6
169.01419	18.1
189.01625	1.2
211.02457	1.7
229.01360	1.6
230.01678	2.2
235.53885	1.1
257.00919	1.7
258.01245	2.2
271.04739	1.9
272.73364	1.1
283.99680	1.5
285.00333	1.3
299.99130	1.5
300.99884	34.3
302.00247	74.5
303.00394	6.7
313.06009	1.3
370.62183	1.1
377.93057	1.2
415.12479	100.0
416.12802	8.6
467.43011	1.1
478.03458	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94487	1.7
53.14063	1.2
54.54084	1.2
59.01097	1.6
59.01388	24.7
59.77301	1.3
60.01699	1.4
61.98833	29.9
69.03456	1.8
69.72845	5.2
69.73257	3.1
71.01382	10.2
71.38911	1.5
72.99304	2.9
73.02924	2.7
83.01397	2.2
84.01185	1.3
85.02950	4.4
87.00900	2.1
89.02436	2.4
95.01402	3.5
96.96013	9.3
97.02959	1.9
101.02428	6.8
107.01371	2.4
109.02959	1.8
111.00873	6.1
113.02459	2.7
117.05598	2.7
120.99635	1.7
123.00916	10.3
125.02453	14.9
135.04559	9.9
136.04843	3.6
139.00385	4.8
140.01125	5.0
151.00378	11.2
153.05600	2.3
161.04573	2.1
163.00343	1.5
166.99881	1.9
167.03578	3.2
168.00630	5.5
169.01410	17.0
171.10316	1.6
176.03546	3.8
199.13423	1.6
205.78554	1.4
211.02388	1.4
226.96022	1.4
271.02423	1.6
275.02130	1.8
287.01755	1.5
300.99796	6.2
302.00278	11.2
316.02109	6.5
317.02863	8.1
347.20477	2.5
347.24356	25.1
398.14877	1.8
415.16101	100.0
416.16470	12.2
418.25159	4.2
459.42719	1.6
478.14508	8.9
479.08456	3.6
479.10315	2.3
479.16364	7.6
479.24457	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	478.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29634	0.7
51.98639	0.8
59.01371	3.5
61.19986	0.8
61.98832	16.4
68.88663	0.9
69.47843	0.8
71.01393	4.5
71.60938	1.0
74.02501	1.1
85.02958	1.0
87.53172	0.8
89.02470	1.4
95.01388	1.2
96.95963	0.9
101.02379	1.5
101.06100	1.4
107.01375	4.9
111.00922	1.4
113.02441	1.8
123.00901	6.3
124.01684	1.4
125.02451	48.3
126.02781	2.2
137.02458	1.2
139.00386	2.3
140.01160	1.2
145.02931	1.1
151.00380	6.6
155.10780	1.5
156.74983	1.0
168.00623	3.0
169.01427	81.0
170.01788	3.0
178.99893	0.9
211.02460	4.9
241.03485	4.7
271.04715	5.3
273.12378	1.0
287.02020	1.4
300.99683	1.3
302.00131	3.4
313.05652	31.7
314.05890	1.6
316.02194	4.5
317.03036	3.0
411.16861	0.9
415.12433	100.0
416.12772	9.8
468.46634	0.9
478.19699	2.1
478.26392	1.0
479.08273	3.5
479.15112	1.9
479.21521	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	477.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31031	2.1
55.01879	2.9
57.03455	18.3
59.01383	9.4
61.98846	22.5
64.27002	2.2
69.03465	6.9
71.05032	11.9
73.02948	4.2
79.01892	11.6
80.91697	5.7
81.03462	10.7
83.05014	5.9
85.02962	93.5
85.06612	5.9
87.00877	6.7
87.04546	3.0
95.01402	2.6
95.05048	14.3
97.02965	8.0
97.06602	13.6
99.04541	11.9
103.52207	2.4
107.05038	4.8
108.02164	2.2
109.02958	4.1
109.06593	7.2
111.04516	6.2
113.02493	2.8
120.29585	2.0
121.02956	3.0
122.03785	3.1
123.04543	65.1
123.08163	5.1
124.01663	3.8
125.02463	74.8
125.06112	6.4
127.04028	3.0
135.04514	3.1
137.02444	5.5
138.03259	9.3
139.03990	6.3
141.05594	10.5
151.00351	7.0
151.03989	5.4
151.07607	3.0
152.01196	4.2
152.04697	3.1
153.05588	52.6
158.93843	2.3
165.01859	5.9
165.05565	3.9
166.02716	5.7
167.03534	14.3
167.07146	20.7
170.02255	2.6
177.05544	2.7
179.03557	8.3
179.07214	3.2
180.04343	3.9
193.05006	3.0
207.06685	3.2
219.17430	3.1
221.08244	2.5
237.11345	2.6
245.19041	3.5
247.17021	8.3
248.17021	2.6
273.18594	15.8
275.16745	3.3
285.18533	3.8
287.20160	5.5
289.14621	4.0
289.18057	4.8
289.21912	3.0
299.20117	4.4
299.99075	3.1
300.99924	64.4
301.03372	4.2
301.17929	2.8
302.00403	3.2
311.20163	3.0
315.01566	2.9
315.19696	6.6
317.17459	3.3
319.19046	3.2
327.19662	8.2
329.21140	8.1
341.21091	13.5
343.19189	5.2
353.21240	9.6
359.22324	3.1
371.22360	9.0
377.23172	10.2
389.23297	10.6
395.24527	17.4
397.23846	6.8
415.25473	21.3
417.22876	100.0
418.23285	15.5
431.24329	18.3
433.25687	5.6
459.23929	30.7
460.24466	10.3
477.03021	7.4
477.29117	58.4
478.28949	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	477.2498
Annotation	Adenanthin B
Peak:m/z	Relative Intensity
55.01882	2.9
57.03455	17.3
59.01392	10.1
61.98836	14.1
69.03460	6.2
71.01388	3.3
71.05037	9.2
72.99279	2.1
73.02941	5.0
75.60046	1.7
79.01908	9.0
81.03463	11.8
83.01402	4.0
83.05029	5.7
85.02962	75.4
85.06582	3.4
86.03294	2.3
87.00899	11.4
93.03427	2.1
95.01411	1.8
95.05048	18.0
95.08083	1.8
97.02942	6.9
97.06581	4.5
99.04516	12.9
108.02171	3.0
109.02956	5.8
109.06596	3.7
111.00867	2.3
111.04479	2.7
113.02478	3.0
115.04034	3.8
119.04994	2.3
123.04537	61.4
123.08148	4.0
124.01674	6.2
125.02459	64.8
125.06068	4.1
125.09762	3.0
127.04032	4.3
134.07402	1.9
135.04570	2.6
136.05280	3.5
137.02513	2.7
138.03241	11.8
139.04056	9.0
141.05632	9.1
151.00336	7.8
151.04022	6.7
152.01146	2.0
153.05580	18.5
165.01897	2.6
166.02725	6.9
167.03506	13.8
167.07124	5.0
170.02205	3.6
177.05643	2.5
179.03476	6.8
181.05045	6.6
185.02252	2.0
191.14319	2.3
199.06070	3.1
201.02100	2.2
209.11725	2.1
218.31511	1.8
221.07904	2.0
223.17227	2.1
229.01343	2.4
229.20842	2.4
231.17479	2.3
235.16998	2.2
245.00993	2.1
245.18961	2.7
247.17036	4.1
257.19244	1.9
259.16962	2.9
271.20532	2.7
273.18619	20.8
285.18631	3.8
289.14923	1.9
289.18130	3.2
289.21597	2.6
295.22879	3.3
299.02020	2.5
299.20163	8.0
299.99097	4.7
300.99927	77.9
301.03351	4.2
302.00284	7.9
311.20123	4.7
315.19693	9.2
315.22928	2.3
317.20944	2.1
325.21521	2.4
327.19595	7.2
329.21149	8.3
333.21002	2.5
341.21237	13.2
343.19089	6.8
343.22644	2.1
353.21240	7.6
353.43887	1.9
359.22382	3.3
371.22311	13.2
373.19467	2.7
377.23315	13.3
378.23636	2.8
389.23459	14.3
397.23709	5.5
399.21487	2.3
403.21402	3.4
415.25330	24.4
416.25375	3.7
417.22827	100.0
418.23029	12.1
431.24448	18.0
433.26038	6.6
459.23856	38.5
460.24280	12.2
477.03336	9.8
477.09961	2.3
477.24829	15.0
477.29666	14.8
477.36591	4.0
480.50952	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	477.2494
Annotation	Striatin C
Peak:m/z	Relative Intensity
54.41801	0.6
55.01864	0.8
57.03434	0.8
59.01384	1.4
61.98840	1.1
69.03461	2.4
69.44267	4.2
71.05026	4.3
73.02985	0.9
79.01900	0.8
82.70457	0.7
83.05037	1.8
85.02960	1.8
85.06573	1.2
89.51710	0.7
95.04996	0.7
97.02957	2.5
99.04514	3.6
107.05012	0.9
108.02161	0.6
109.02967	3.7
109.06611	1.0
111.04556	3.2
113.02477	0.9
118.95005	0.6
119.28146	0.6
122.03716	0.8
123.04533	2.2
125.02433	2.5
125.06074	2.1
127.04010	6.0
134.92322	0.6
135.04526	1.1
136.05249	0.7
142.46692	0.8
147.34465	0.6
151.00375	0.8
151.03990	4.1
152.04764	2.0
153.01924	1.9
153.05565	7.7
154.05835	0.7
164.04771	1.7
165.05629	0.8
167.03558	3.5
169.05083	0.7
177.01863	0.8
177.05589	1.5
178.02705	5.4
180.04265	0.8
191.03465	0.7
191.07211	0.9
192.04317	0.9
205.05058	3.6
206.09567	1.0
219.06650	0.6
219.10204	0.7
223.09723	0.7
237.11266	2.3
247.09628	0.8
261.11261	1.5
262.12210	0.8
273.14874	1.2
273.18518	0.8
288.17221	0.7
289.17941	0.9
291.16064	1.3
300.99884	12.7
302.00229	1.1
315.00891	0.6
315.16156	0.7
316.16736	1.0
317.17499	2.5
322.27716	0.7
359.62070	0.7
417.23117	3.0
421.22113	1.6
431.24338	2.0
433.26016	1.2
435.23535	0.8
459.23865	12.6
460.24023	1.3
462.22372	1.4
477.24921	100.0
478.25302	14.8
499.86588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34949	3.4
58.43444	3.6
68.16850	3.8
72.17928	3.3
73.56425	4.1
81.50549	3.3
99.92596	10.6
113.02436	4.7
115.98592	3.6
116.92882	100.0
117.92883	4.4
287.21530	3.8
300.99960	51.8
328.63245	3.6
329.18069	4.4
357.19275	3.9
375.25491	7.1
433.33212	5.0
442.14636	3.9
477.02911	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	477.2497
Annotation	Striatin C
Peak:m/z	Relative Intensity
53.78076	0.4
55.01889	1.6
55.29613	0.4
57.03446	2.8
58.45155	0.5
59.01390	0.9
62.00056	0.5
62.31606	0.6
65.03966	0.5
68.99831	0.4
69.03474	1.9
70.16896	1.8
71.05029	1.8
72.54014	0.5
73.02946	0.7
79.01917	2.1
81.03477	1.3
83.05044	2.1
84.02166	0.6
85.02983	0.6
85.06595	10.4
85.07085	0.7
93.03493	0.9
95.05039	4.1
97.02965	4.3
97.06618	1.3
98.03799	0.4
98.19946	0.6
107.05030	1.4
109.06606	10.7
111.04530	8.5
113.06103	0.9
123.04504	0.7
125.02472	1.6
135.04550	2.3
136.05276	2.3
138.03278	0.8
139.04019	1.3
141.05566	0.8
147.39026	0.5
149.06102	0.5
150.06870	0.7
151.03996	1.4
151.07590	0.5
152.04710	0.4
153.05585	79.9
154.05951	2.4
164.08464	0.8
165.09236	0.7
166.02686	0.4
179.03520	1.9
180.04294	1.3
194.05801	1.2
207.06575	0.8
249.11465	0.6
291.19656	1.3
300.99945	7.8
302.00214	0.7
360.87146	0.5
363.17966	0.7
367.60092	0.5
399.68021	0.5
427.27304	0.5
459.23804	1.3
477.24811	100.0
478.25153	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	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01380	1.3
61.98838	0.5
65.00327	0.5
67.01907	0.9
67.14001	0.2
68.99815	0.5
69.03453	0.8
69.36874	0.3
69.37281	1.7
71.01380	4.0
72.99304	0.5
73.02944	0.5
79.01894	1.4
81.03468	0.4
83.01403	0.9
85.02943	1.2
87.00890	0.4
95.01388	2.2
97.02964	1.3
99.00878	0.4
101.02447	1.4
107.01389	9.2
108.05930	0.2
109.02946	0.3
110.00111	0.5
111.00885	3.0
113.02457	1.5
123.00887	10.7
124.01681	1.5
125.02449	52.1
126.02799	1.5
127.00368	1.1
136.98869	1.5
137.02432	0.4
139.00380	4.1
139.04024	0.6
140.01175	4.3
141.01988	1.3
141.51077	0.3
146.31021	0.2
148.05305	25.4
149.05956	1.9
151.00371	7.7
152.00826	0.3
153.01924	0.5
161.02397	0.2
161.04555	0.3
163.07645	9.3
164.08023	0.6
167.03523	0.3
168.00642	3.5
169.01424	60.4
170.01768	2.1
179.03529	0.4
183.02924	1.4
188.70694	0.3
191.03398	0.2
193.01462	0.4
211.02493	1.7
223.02377	0.4
241.03543	1.1
253.03456	0.5
297.06024	1.1
300.99872	1.5
313.05634	23.9
314.06018	1.8
327.07196	1.3
359.72137	0.3
384.21127	0.3
477.13998	100.0
478.14349	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52619	0.4
51.84233	0.4
52.63474	0.4
58.82637	0.4
59.01383	3.9
61.98816	1.7
71.01379	2.7
73.02953	1.1
75.67837	0.3
78.76602	0.4
85.02943	1.2
87.00858	0.5
89.02428	1.5
96.96040	0.4
99.00884	0.4
101.02432	1.7
109.02972	0.6
111.00823	0.6
113.02437	1.2
114.48139	0.4
117.03470	27.1
118.03813	0.9
119.05028	7.7
121.03010	1.0
125.02431	1.0
137.02405	0.5
137.99506	0.6
139.00377	8.1
145.02957	100.0
146.03284	4.0
149.02502	0.5
151.00320	0.5
153.01941	3.9
154.02733	7.8
155.03531	2.1
155.10783	0.4
161.02452	1.7
161.04564	0.6
161.69305	0.4
163.04027	6.0
169.01460	1.4
169.05060	4.2
185.02425	0.4
187.04059	0.7
190.02762	1.3
191.03592	0.5
196.37100	0.4
205.05058	0.9
211.13400	1.6
229.01404	0.4
230.07472	0.4
283.99667	0.6
299.02286	0.5
299.99185	1.2
300.99899	13.3
301.03387	0.8
302.00381	1.5
307.08218	16.0
308.08691	1.6
314.04367	0.7
315.01624	0.8
315.05185	2.8
397.15378	0.5
477.03314	1.7
477.14243	27.3
478.14603	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18086	0.6
55.01869	1.8
59.01101	0.9
59.01382	14.9
59.81920	0.6
61.98522	0.9
61.98829	13.4
69.03448	1.0
71.01383	9.4
71.04996	0.9
71.61032	0.7
72.99294	1.0
73.02943	2.7
73.76702	0.6
75.00842	0.7
79.01895	18.9
83.01401	1.1
83.05017	0.7
84.80770	0.6
85.02953	5.1
87.00845	1.5
89.02450	4.1
91.05534	1.7
95.01377	1.3
95.04987	0.6
96.96024	2.4
97.02982	0.9
97.06572	0.6
99.00864	0.8
99.04514	1.2
101.02447	5.3
102.37683	0.6
107.05034	1.1
108.02151	1.8
109.02947	7.4
110.02467	1.0
111.00874	1.2
111.04512	2.4
113.02451	4.2
117.03462	2.1
119.03508	2.0
119.05030	2.3
120.99587	0.6
121.02968	2.8
121.03757	0.6
123.00862	0.8
123.04519	4.9
125.01620	0.5
125.02425	4.1
127.04029	1.8
129.64104	0.7
133.02991	0.9
134.03740	1.1
135.04533	100.0
135.11810	0.7
136.04877	4.4
137.02428	1.0
145.02974	9.6
149.04605	0.7
150.03325	0.6
151.00439	0.8
151.04019	1.9
152.01141	0.7
153.05592	9.4
161.02463	2.6
161.04555	2.4
163.04016	1.2
164.04840	0.8
165.01930	2.8
167.03540	1.5
169.01422	3.4
179.03508	86.0
179.10803	1.3
180.03819	4.1
185.02393	0.9
192.04419	0.6
193.01529	0.8
193.05046	2.7
194.05663	0.6
197.04561	1.8
201.01927	1.1
205.05025	1.0
229.01474	2.3
243.03101	0.6
243.72064	0.7
255.19835	0.8
257.00818	1.4
283.99673	1.3
287.01840	0.7
299.99182	2.3
300.99893	47.2
302.00336	4.0
314.00656	2.4
315.01407	4.4
315.05215	5.6
315.08719	84.4
316.05722	0.9
316.09021	7.5
417.24747	1.5
459.24054	0.8
477.03693	5.3
477.14291	22.2
477.25232	10.7
477.30905	1.8
478.14648	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40148	0.7
54.23269	0.7
57.03432	0.9
57.92768	0.7
59.01387	12.3
61.98838	9.3
69.61658	5.0
71.01384	8.3
73.02914	2.9
79.01842	1.0
83.01355	0.9
85.02954	3.6
87.00883	6.3
89.02399	2.8
95.01363	1.3
96.95992	2.0
99.00893	1.6
101.02450	4.5
101.56866	0.7
108.02178	0.7
109.02915	1.5
113.02478	3.9
113.93114	0.7
117.03468	1.0
117.05593	1.2
119.03497	1.2
119.05019	2.2
121.02927	2.1
123.00900	10.5
124.01676	23.1
125.02422	2.6
132.02180	20.4
133.02904	3.1
134.03755	13.9
135.04512	2.3
137.02478	1.9
138.03233	2.9
139.04027	9.6
145.03027	0.9
149.06085	2.3
150.03218	1.0
151.00381	1.2
153.01917	1.5
155.10809	1.7
160.01671	82.2
161.02415	8.3
161.04526	1.0
163.04016	2.0
165.02040	1.7
165.05725	0.8
169.01421	2.5
175.04013	100.0
176.04373	5.2
177.01978	1.0
179.03529	1.6
181.05077	0.9
183.10182	0.7
185.02467	1.5
193.05078	12.8
201.02054	0.9
202.02843	0.8
229.01430	1.4
246.01230	0.7
257.04678	2.5
258.01831	1.1
259.02478	0.7
269.04642	2.7
271.02496	1.1
283.99829	1.3
285.04053	8.1
285.11298	0.8
285.18842	0.7
286.04385	0.9
287.01984	1.4
297.07565	0.8
298.08914	0.7
299.99411	2.0
300.99908	38.4
302.00388	2.3
310.08655	0.7
314.00812	2.3
314.04288	15.5
315.01599	2.4
315.05301	9.2
315.40396	0.8
323.07922	3.0
329.10605	2.3
337.09286	23.1
338.09854	1.8
341.10489	2.8
344.12643	3.6
356.12921	1.3
359.15012	8.4
371.14917	5.9
372.15695	0.9
477.03442	2.4
477.14557	56.1
477.24832	1.7
478.14655	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	477.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
61.98798	1.9
69.03460	1.6
69.61737	8.8
71.01386	13.2
72.91053	1.2
73.02948	4.8
79.01910	2.1
83.01397	1.7
85.02937	6.4
87.00887	1.8
89.02448	1.8
95.01404	3.2
96.95985	2.1
96.96944	1.7
97.02953	3.8
98.19922	2.7
99.00893	1.6
101.02435	4.1
107.01403	9.5
111.00876	4.7
113.02451	4.3
117.35017	1.4
123.00886	22.1
124.01694	3.0
125.02456	53.6
126.02823	1.2
127.00406	1.8
127.04052	1.8
136.98796	1.9
139.00386	8.4
139.03992	1.7
140.01129	5.8
141.01945	2.7
151.00369	16.5
153.01895	2.3
165.02013	1.4
166.99846	2.6
168.00687	13.5
169.01433	100.0
170.01779	3.6
211.02478	50.4
211.04047	1.1
212.02798	3.1
228.23061	1.3
241.03537	3.1
253.03471	1.4
271.04599	98.1
272.04846	5.2
273.22885	1.6
300.99893	30.4
302.00208	2.0
313.05655	28.8
314.05951	3.0
331.06741	24.0
366.95956	1.4
373.07773	32.7
374.08240	2.7
379.57626	1.4
385.07779	73.9
386.08209	5.7
387.09351	3.9
403.03915	2.0
403.08841	34.5
404.09177	2.7
429.10187	3.6
441.10315	5.3
459.11520	8.3
477.02548	1.6
477.12625	40.0
478.12585	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	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17688	1.6
57.03432	1.7
59.01385	18.3
61.98828	5.6
65.00331	2.3
69.56633	5.8
69.57041	4.2
71.01389	13.0
73.02958	1.8
81.03468	3.1
83.01416	2.5
85.02948	6.4
89.02457	9.5
91.01910	3.4
93.03438	3.4
95.01376	2.6
97.02942	2.1
101.02457	8.8
108.02209	2.4
109.02972	11.8
113.02458	6.7
118.57456	1.6
119.03506	5.1
123.00880	2.6
124.01707	1.5
125.02436	3.4
134.05792	1.6
137.01427	3.0
137.02464	49.6
139.00366	1.7
145.02948	1.5
147.00900	5.6
153.01880	1.7
155.03503	1.8
161.04549	1.7
163.00427	9.3
164.01154	8.6
165.01955	61.5
166.02284	3.2
175.00403	3.7
178.99815	9.4
180.00681	2.7
202.02710	2.8
202.99878	19.1
204.36082	1.6
206.99344	6.5
208.00146	60.3
209.00925	100.0
210.01292	3.9
230.02158	2.2
246.98862	63.0
247.99263	4.4
257.00946	1.6
283.99765	1.8
297.07675	2.0
299.99249	2.1
300.96613	2.7
300.99918	39.4
302.00238	2.3
315.25516	4.2
357.09564	1.8
401.09085	7.9
433.11502	9.7
477.03128	3.9
477.17929	2.6
477.24750	8.3
477.30646	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
70.05070	3.4
71.01392	2.8
76.66135	0.7
79.01865	0.8
80.44902	0.6
88.98826	2.2
95.01413	0.7
98.89670	0.6
101.02422	1.1
107.01396	6.3
111.00883	1.2
113.02441	1.8
114.95309	0.7
119.05037	52.0
119.81546	0.8
120.05363	2.2
123.00885	8.0
124.01647	0.9
125.02458	37.7
126.02788	1.4
129.16766	0.7
139.00369	2.4
139.91119	0.7
140.01170	1.9
141.01945	1.4
151.00397	6.7
153.01936	1.6
163.04019	25.1
163.05397	1.2
164.04346	1.1
168.00638	2.7
169.01439	56.2
170.01794	1.9
185.52216	0.7
192.55096	0.7
211.02377	1.3
241.03537	1.4
300.99908	3.3
313.05661	23.6
314.06015	1.5
347.70804	0.7
387.13184	1.1
433.11453	6.6
459.09460	1.5
477.10410	100.0
478.10733	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55270	0.6
55.01853	0.7
57.97529	0.6
59.01387	5.2
61.98828	3.5
66.81628	0.6
67.01904	0.8
68.23248	0.6
69.68831	4.2
71.01377	5.9
73.02950	0.9
74.41425	0.6
79.01890	0.9
81.03463	0.9
83.01368	1.0
85.02965	1.4
89.02457	1.3
91.68252	0.6
95.01432	1.1
97.02973	1.0
98.19941	0.9
101.02449	2.2
107.01398	10.5
111.00877	1.6
113.02458	1.4
113.83323	0.7
117.03477	8.1
119.05036	3.7
123.00883	7.3
124.01697	1.5
125.02454	67.9
126.02795	2.2
136.98868	1.1
137.02431	0.8
139.00365	3.8
139.04051	1.8
140.01164	3.1
141.02043	1.5
145.02966	21.7
146.03172	0.9
151.00366	6.1
162.35799	0.7
163.04022	2.2
165.01906	0.8
167.03412	1.6
168.00659	8.8
169.01431	100.0
170.01764	3.9
183.03120	0.7
211.02477	31.1
212.02806	1.3
241.03505	6.7
271.04599	55.9
272.04965	2.9
299.99094	1.3
300.99911	8.5
313.05658	60.6
314.05850	3.7
315.01648	1.3
315.08618	2.8
331.06726	14.8
331.10278	1.0
477.10294	67.8
478.10580	8.4
504.03503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03453	5.7
58.00586	2.0
58.20403	1.8
59.01384	52.1
61.98839	16.4
63.10355	1.9
69.47514	9.9
71.01393	54.1
72.59586	1.7
72.92719	2.0
72.99308	4.2
73.02955	12.8
73.98141	1.6
81.03471	2.7
83.01402	6.4
85.02958	26.1
87.00877	8.0
89.02451	23.0
91.01908	2.2
93.96944	1.8
95.01402	6.0
96.96044	8.7
97.02957	1.9
98.20660	3.9
99.00916	6.2
99.04495	2.4
101.02451	37.9
108.02202	3.2
109.02979	12.6
111.00877	4.1
113.02459	20.8
117.03487	6.4
119.03508	8.0
119.05037	4.1
123.00929	2.1
123.04510	2.5
125.02482	10.3
127.04044	1.9
129.01990	2.2
131.01360	1.8
137.02457	49.0
139.00386	2.1
140.01343	1.8
143.03561	2.1
145.02989	20.8
147.00909	11.1
151.04042	1.9
152.10213	2.2
153.05556	2.6
155.03554	2.2
159.02972	4.5
161.04581	15.4
163.00365	6.8
163.04005	3.5
164.01138	7.5
165.01947	62.1
167.03505	3.4
169.01422	7.7
175.00354	8.1
176.01212	8.4
178.99861	6.0
179.03513	3.8
179.05664	3.0
181.05138	1.9
186.94447	2.2
190.02676	1.9
191.03476	3.1
201.01924	1.8
202.99875	21.4
204.00456	3.2
206.99353	3.8
208.00136	47.0
209.00922	100.0
210.01230	5.7
218.99348	2.0
229.01375	3.6
235.02521	6.7
246.98830	64.8
247.99365	4.3
279.01498	23.5
280.02014	2.7
282.05295	2.5
297.07663	7.8
299.99051	2.2
300.99915	71.5
302.00180	6.0
313.05630	3.5
315.12552	2.1
315.25433	21.0
365.79166	2.0
377.23245	3.5
401.08887	4.3
412.98001	2.0
417.23239	2.4
433.11426	6.3
445.31332	1.7
445.60532	2.5
477.03192	7.8
477.18179	2.6
477.24606	15.2
477.30896	36.7
478.31183	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35319	0.5
53.44929	0.5
59.01366	0.9
64.46110	0.5
65.73200	0.4
69.03455	0.8
70.77000	1.4
71.01389	3.3
73.23783	0.5
78.40726	0.5
79.01903	1.2
81.03474	0.5
83.01386	0.5
85.02941	0.8
89.83456	0.6
95.01417	0.9
97.02953	0.6
97.32611	0.6
101.02438	0.9
107.01392	6.5
109.08644	0.5
111.00885	0.8
113.02464	1.5
113.83321	0.5
119.05031	63.7
120.05383	2.6
123.00887	8.4
124.01716	0.8
125.02452	43.1
126.02804	0.9
136.98761	0.8
137.02473	0.6
139.00420	2.4
140.01151	1.5
141.01927	0.7
151.00365	7.5
153.02031	0.7
163.04018	27.9
164.04370	1.3
168.00645	1.9
169.01431	61.1
170.01759	2.7
211.02541	2.0
241.03625	1.4
270.98865	2.4
272.06000	0.6
283.99817	0.6
285.00177	0.8
298.98364	3.5
299.99026	1.1
300.99850	6.7
312.99960	1.4
313.05640	35.7
314.00595	2.8
314.05945	2.4
338.73621	0.6
374.98135	0.5
433.11478	1.7
477.10526	100.0
478.10818	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1052
Annotation	Tamarixetin 3-galactoside
Peak:m/z	Relative Intensity
54.26800	0.6
57.03436	0.8
59.01146	0.6
59.01384	7.1
61.98831	4.7
63.75619	0.7
65.00352	1.0
66.08008	0.7
67.01880	1.0
68.13406	0.7
69.03448	1.6
71.01396	3.9
71.04998	0.8
73.02946	1.8
80.91637	0.6
83.01390	0.8
85.02947	2.5
86.33499	0.7
89.02439	2.7
95.01377	0.9
97.02937	1.3
101.02438	3.0
101.61602	0.8
107.01379	2.8
108.29826	0.8
109.02952	0.9
111.00897	0.9
113.02432	1.6
117.03439	1.2
119.03525	1.0
119.05006	1.9
123.00916	3.4
124.01665	1.7
125.02460	48.9
126.02798	1.6
139.00385	1.2
143.05023	0.8
145.02988	3.9
147.04466	0.8
149.99580	1.1
151.00392	5.8
153.01898	2.1
161.02470	1.3
161.04550	0.9
163.00285	0.9
163.04047	1.0
168.00610	3.2
169.01437	78.8
170.01729	2.4
171.04485	1.1
175.03986	1.0
178.99898	1.7
185.02510	0.8
187.04050	1.6
199.03975	3.6
201.01950	2.0
203.03456	3.1
214.02609	1.0
215.03548	4.5
226.02449	0.8
227.03448	3.9
229.01469	1.2
231.02962	1.6
242.02229	7.0
243.02986	32.1
244.03329	2.2
255.03040	1.7
257.04529	8.5
258.04794	1.2
259.02509	3.9
270.01749	8.8
271.02475	45.3
272.02954	3.5
285.04044	16.4
286.04620	5.7
287.02020	7.9
287.05060	1.3
299.01987	24.6
299.99030	2.2
300.02609	11.5
300.99957	30.4
301.03281	2.1
302.00186	1.8
302.29068	0.9
307.08112	0.8
313.05774	1.3
314.04337	32.9
315.01410	13.7
315.04999	12.9
315.08789	1.0
316.02231	10.8
316.05569	1.4
317.02524	1.0
330.03821	16.1
331.04529	20.5
332.04913	2.0
433.06564	0.9
477.10321	100.0
478.10611	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01439	2.8
60.03852	0.6
60.36680	0.6
60.99052	0.7
60.99351	1.6
61.98368	0.9
61.98549	1.6
61.98894	25.6
69.25888	7.6
71.01451	1.3
88.98813	10.2
89.02472	1.4
95.01479	0.8
96.96045	0.8
100.21928	0.7
101.02472	1.1
107.01435	1.2
119.05015	7.0
122.23943	0.7
123.00972	2.1
125.02457	7.4
145.03009	0.8
151.00427	1.3
161.02467	0.7
162.49489	0.8
163.04091	3.0
168.00780	0.8
169.01431	9.8
189.21436	0.7
216.00700	1.0
228.00648	0.9
229.01410	0.9
242.99286	1.5
244.00060	1.1
270.98871	20.3
271.06165	1.2
271.99454	2.1
283.99826	1.0
298.98318	24.6
299.99109	100.0
300.99771	24.2
302.00323	2.4
313.00052	1.6
313.05670	2.6
314.00681	16.6
315.01465	81.0
316.01770	6.4
334.12457	0.8
349.47491	0.8
387.12946	5.7
433.11401	1.0
477.06519	77.7
478.06924	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	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95879	0.4
57.03437	0.5
59.01377	3.6
61.98819	1.0
63.02395	2.2
65.00327	3.7
66.47797	0.4
71.01383	3.7
72.99306	0.9
75.00871	0.9
81.84835	0.4
83.01389	2.6
85.02939	1.7
89.02451	0.6
93.03455	1.3
95.01357	0.8
95.23850	0.4
97.02974	0.7
99.00892	0.6
103.00359	0.7
107.00804	0.6
107.01405	6.8
109.02948	4.1
113.02476	2.7
119.01384	0.7
119.05022	1.4
120.99644	0.7
121.02145	0.6
121.02966	6.8
125.02449	7.1
126.02795	0.4
145.02908	0.6
149.02412	0.9
151.00380	29.2
152.00673	1.0
159.04456	0.7
163.00369	3.5
163.04013	1.3
164.01009	0.7
165.01979	0.5
168.00586	0.7
169.01433	8.8
169.02835	0.9
173.06049	0.5
175.02509	1.1
175.03926	0.6
178.99867	13.7
183.04515	1.2
183.10265	0.9
185.05957	0.6
187.04027	1.0
193.01353	0.5
193.08723	0.7
199.03877	0.4
201.05531	1.0
203.03612	0.5
209.79921	0.4
211.04010	2.0
212.04546	0.5
214.02505	0.5
227.03470	1.7
229.05002	2.2
236.18234	0.5
239.03564	0.6
243.02972	0.7
245.04561	2.9
255.02956	4.8
255.05482	0.7
256.03555	0.8
257.04544	0.6
271.02475	1.2
273.03979	2.7
283.02536	2.3
291.79953	0.5
298.98361	0.6
299.99066	2.1
300.02686	1.4
300.99930	11.6
301.03497	100.0
302.00412	0.9
302.03827	7.8
313.05560	0.7
315.01419	1.9
331.06741	3.7
477.06491	14.1
477.19397	2.2
478.06821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25653	1.5
56.89191	1.3
61.98833	100.0
72.89323	1.6
96.28863	1.4
104.07647	1.4
118.09180	1.5
153.05640	1.9
300.99884	2.1
316.77594	1.4
345.99231	1.4
369.27972	2.5
382.39734	1.4
398.28879	1.7
413.27051	9.7
414.27304	2.2
477.31830	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	476.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94939	1.3
61.98833	100.0
69.95385	3.2
69.95774	3.9
79.40067	1.7
84.65058	1.5
85.02951	2.1
108.38578	1.4
132.26848	1.3
135.20891	1.6
147.66739	1.4
282.49161	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11508	0.3
59.01392	0.5
61.98827	1.3
62.96443	0.5
71.05005	0.7
78.95908	100.0
83.05044	0.4
85.30963	0.4
96.96972	7.0
101.75410	0.4
118.49849	0.4
124.05029	0.4
125.02478	0.9
139.04037	1.7
140.01180	0.5
152.99597	16.1
153.05630	0.8
154.05873	0.4
160.03246	0.4
165.05600	0.5
167.07195	0.4
171.00658	17.4
185.02516	0.6
194.92130	0.4
214.04924	0.5
229.01469	0.6
254.79623	0.4
279.23315	2.9
280.23764	0.4
299.99057	0.5
300.99902	11.2
307.02124	0.4
402.24252	1.5
476.27856	59.4
476.38623	1.5
477.03156	1.4
477.09937	0.6
477.27988	6.6
477.33865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01340	0.9
61.98811	0.6
62.31171	0.3
69.65190	0.6
69.65604	1.4
70.20769	0.3
78.95909	7.4
85.02953	0.4
96.96945	0.5
98.20538	0.3
99.97636	0.3
112.08693	0.3
125.02455	0.5
139.03979	0.5
140.01201	1.7
152.99532	0.9
153.05559	0.3
171.00549	0.5
171.84230	0.4
175.10139	0.3
177.11342	0.3
180.77956	0.3
196.03749	1.0
214.04855	2.9
220.31757	0.3
264.05554	0.4
274.42462	0.3
279.23288	100.0
280.23621	9.5
300.99847	3.9
475.37720	0.6
476.27853	11.4
476.33209	0.4
476.38895	1.5
477.27756	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
61.98811	1.2
69.69767	0.4
69.89072	2.3
78.95911	30.1
85.02934	1.4
88.98806	1.1
96.96953	0.7
122.00139	1.3
123.04533	0.7
125.02377	0.6
136.14838	0.5
140.01193	6.7
152.99614	3.5
153.05470	0.6
170.02118	0.5
171.00644	2.4
173.92896	0.5
196.03810	10.6
201.68205	0.5
208.84056	0.6
214.04874	2.6
261.65811	0.5
264.35132	0.5
279.23294	100.0
280.23611	10.3
299.99243	0.6
300.99881	11.8
415.25034	0.6
417.22763	1.0
459.23920	0.5
475.36554	0.8
476.27838	34.0
477.03061	2.0
477.28293	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	477.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55162	0.2
54.78726	0.3
59.01382	0.3
70.06338	0.9
85.02946	0.4
91.69325	0.3
107.67767	0.3
113.58862	0.3
128.42595	0.2
136.18889	0.2
145.02953	0.5
173.02472	0.8
185.02463	1.2
198.76674	0.3
201.01894	1.0
213.01981	0.3
226.99722	0.4
229.01471	2.2
245.00839	0.7
257.00909	1.2
283.99637	1.4
299.99161	4.3
300.99911	100.0
302.00266	7.4
477.03134	12.5
477.10074	0.4
478.03561	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	476.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.3
59.01394	1.3
61.98835	100.0
71.28976	1.1
71.61224	1.6
77.94920	1.1
80.96523	1.1
82.34521	1.0
85.02965	2.6
90.95517	0.9
92.34618	1.0
95.05053	1.5
97.02964	1.5
110.03745	1.8
123.04539	2.9
125.02494	1.7
137.06085	1.1
137.86304	1.1
139.03973	7.8
140.04315	1.2
143.79198	1.2
149.06131	2.5
152.57986	1.0
160.84230	7.0
163.07826	0.9
164.08180	1.0
165.05565	2.5
166.02744	2.2
167.33455	1.0
177.05556	3.5
178.05933	2.1
180.04210	1.4
193.05093	1.5
198.01605	1.1
300.99933	21.1
413.23300	26.6
414.23764	3.9
436.57657	1.2
475.37653	3.7
476.31198	1.7
476.38925	8.3
477.03049	3.1
477.24881	1.4
477.32629	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	476.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01374	2.4
60.01288	0.9
61.98833	100.0
71.60715	1.2
80.60963	1.0
85.02933	0.9
86.00662	1.0
88.88197	0.9
90.56970	0.9
95.05031	1.3
105.62116	1.0
116.89797	0.9
116.92903	1.9
123.04527	2.2
125.02444	3.8
139.03999	2.8
165.01886	1.6
166.02675	2.1
167.03468	1.6
180.04205	1.1
193.05067	1.5
203.54240	0.9
300.99893	22.7
326.09595	1.1
375.21808	1.3
413.23386	25.1
414.23642	3.3
476.34189	2.9
476.38776	1.8
477.03064	4.7
477.31448	1.6
477.36804	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	476.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.1
61.98840	100.0
69.34380	3.3
69.34794	8.8
71.83624	1.3
95.05040	3.0
96.31277	1.2
104.23083	1.3
124.60360	1.2
135.04547	1.5
136.05341	4.1
139.04054	8.5
151.07698	10.4
152.04791	4.0
155.32042	1.1
163.07675	5.4
164.04846	2.4
164.07948	2.6
165.05576	1.6
168.31729	1.2
177.99767	1.1
179.07159	26.9
193.05084	1.2
199.58337	1.3
277.02606	1.2
301.00000	20.1
307.65033	1.3
362.66602	1.3
374.24359	3.2
391.24924	1.4
413.23419	18.9
413.81442	1.3
414.23605	3.1
475.37781	3.8
476.34451	8.6
476.38693	5.5
477.32190	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3432
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
57.03468	0.7
58.91158	0.3
59.01391	0.5
61.98832	6.3
71.60635	0.5
71.89469	0.3
77.61849	0.3
85.02956	0.9
98.58399	0.3
98.89477	0.3
107.05008	0.4
113.02446	0.4
123.04584	0.4
125.02457	0.4
135.08173	3.3
137.02377	0.4
139.03999	0.4
149.06078	1.3
150.06873	10.9
151.04121	0.4
151.07198	0.7
153.05550	1.0
163.07657	82.4
164.07983	3.8
165.05637	0.6
177.05556	1.3
201.18997	0.3
251.23651	0.5
307.75275	0.3
311.25946	11.7
312.26172	1.1
373.23825	2.4
391.21317	0.4
413.23816	0.4
457.33557	0.4
460.31891	1.0
475.34210	100.0
476.34589	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	475.3792
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
58.92506	0.4
59.01380	0.8
69.90845	2.0
71.01363	0.5
88.92459	0.4
94.46196	0.4
95.47290	0.4
97.80724	0.3
132.22890	0.4
209.15631	0.5
291.23315	2.3
373.23959	0.5
431.39108	4.2
475.37985	100.0
476.38309	16.9
480.09915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.1
57.03433	1.6
58.00582	0.9
59.01094	1.6
59.01382	29.2
61.98832	18.1
65.46808	0.8
71.01390	9.6
71.60959	0.8
72.99309	1.2
73.02954	2.3
75.00880	1.1
76.08599	0.9
83.01376	2.5
84.33348	0.9
85.00476	0.8
85.02948	3.8
87.00860	0.9
89.02443	3.7
93.03447	1.6
95.01388	3.0
96.96015	1.9
97.02953	1.1
99.00905	1.1
101.02451	8.8
107.01397	3.3
109.75725	0.8
110.00084	0.9
111.00890	2.5
113.02470	4.3
116.36988	0.8
117.05559	2.7
119.03573	0.9
120.44609	1.0
120.99659	1.2
123.00883	11.9
125.02449	13.4
127.00398	1.1
128.10478	0.9
135.03505	0.9
135.04529	17.4
136.98853	1.0
139.00343	4.3
140.01141	4.3
145.02962	1.9
151.00363	10.7
153.01907	1.7
159.02997	1.7
161.02440	4.4
161.04565	3.8
163.03932	1.1
168.00641	8.3
169.01439	20.6
177.04007	3.0
183.10226	3.9
187.76122	1.0
211.02397	2.7
212.44928	0.9
251.11330	2.7
254.74179	0.8
271.04565	3.4
300.96582	1.8
300.99905	23.6
313.05957	1.4
314.00427	1.6
315.18033	1.2
329.05179	6.3
341.05484	1.6
397.14703	2.3
407.72849	1.1
413.14523	100.0
414.14838	12.2
415.23242	1.4
416.23560	2.3
417.24582	2.2
430.14737	2.6
433.11340	1.8
477.03558	2.3
477.10855	7.0
477.23648	6.1
477.29901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3066
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
53.74037	0.7
55.01885	1.6
57.03443	1.9
58.50348	0.8
59.01370	1.4
61.98842	1.9
62.61140	0.6
69.71833	3.3
71.05029	4.1
81.03463	1.1
83.05033	1.1
85.02950	1.1
85.06591	1.2
87.04510	0.9
92.66353	0.7
95.05048	1.0
97.06595	0.8
98.19871	1.2
99.04572	1.0
100.05328	1.4
103.30759	0.7
109.02970	1.3
109.06625	1.6
111.04519	1.0
115.07674	3.3
121.02991	0.8
122.03746	5.6
122.18982	0.7
123.04533	6.1
125.02454	2.4
127.04044	0.8
135.04538	17.8
136.05284	2.3
139.04013	1.0
139.07668	2.5
148.05286	1.0
148.30875	0.7
150.06990	0.7
151.03978	0.8
153.05583	4.3
163.07672	1.0
175.07706	1.3
179.03496	1.0
181.07912	0.7
181.12389	1.8
205.19543	1.8
240.05890	0.7
259.20621	0.8
289.25360	2.1
315.23459	0.9
315.26718	3.7
317.24835	1.5
331.26410	5.9
344.27060	0.9
347.26001	0.9
359.25903	11.9
360.26392	1.7
361.27460	1.0
387.21555	0.8
387.32877	6.1
388.26007	1.3
388.33383	1.0
389.30765	11.1
390.31128	2.0
401.30609	0.9
403.32254	1.2
413.30630	3.5
415.21048	1.4
429.29825	1.1
431.31668	100.0
432.32086	14.5
475.23499	7.7
475.30664	27.8
476.24319	1.2
476.31033	4.9
477.94351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3067
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
53.83014	0.7
55.01883	2.1
57.03442	2.5
59.01377	3.5
61.98832	1.0
62.60766	0.8
69.03455	1.0
69.62819	0.8
71.05031	4.4
71.60436	1.0
79.01926	0.8
81.03452	2.8
83.01374	1.0
83.05025	2.4
85.02953	2.1
85.06598	6.3
95.05016	1.0
97.02940	1.9
97.06614	1.9
99.04527	3.1
105.49359	0.9
109.02999	1.1
109.06591	1.9
111.04521	2.1
115.07642	1.9
122.03767	6.8
123.04515	7.0
125.02448	5.6
125.06159	1.4
127.04038	1.0
135.04543	21.5
136.05359	4.1
137.02496	0.9
139.04042	3.2
139.05179	0.8
141.01950	2.4
141.05605	1.1
151.04150	1.0
153.05585	35.8
154.05943	2.2
161.21883	1.0
163.07655	0.9
163.11412	1.0
165.05557	1.5
179.03445	1.2
181.12254	1.4
197.50334	0.9
201.16830	0.8
201.49481	0.9
209.11858	7.6
219.13705	0.8
223.20558	1.2
275.02005	1.3
300.99905	1.8
309.13470	0.9
315.27026	1.3
359.25769	1.6
387.32779	6.2
389.30643	3.2
413.30884	4.7
415.20795	1.5
431.31702	100.0
432.32095	13.9
433.22177	5.6
439.26425	1.1
475.23434	13.6
475.30701	10.7
476.23785	2.6
476.30930	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	475.27
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
50.39247	0.4
56.54969	0.4
57.03397	1.3
59.01326	3.7
61.98775	0.7
62.58441	0.4
71.01336	0.7
71.04987	0.5
71.60114	0.6
73.02926	0.5
74.67202	0.4
77.90485	0.4
80.02610	1.3
81.03400	1.7
82.56728	0.4
83.05023	4.5
85.02902	1.3
85.06517	1.4
89.02419	0.5
95.01318	0.6
95.05008	1.9
97.02908	0.6
97.06551	1.5
99.04512	0.4
107.04969	0.5
109.06550	1.0
111.08119	0.8
113.02412	0.7
113.06082	2.0
113.06702	0.4
115.52435	0.4
121.06576	0.5
123.00878	0.5
123.04485	0.9
123.08132	1.1
125.02441	2.7
125.06092	2.0
125.09671	1.7
135.08191	2.0
137.06039	0.8
139.03972	1.4
139.07593	0.8
141.01967	0.6
141.05595	3.9
147.11751	0.6
153.05598	2.0
163.11293	3.6
165.05559	1.2
165.12825	1.3
166.06367	0.7
167.03362	0.5
171.10298	3.4
179.03522	0.5
179.07022	0.5
181.05008	1.4
187.30675	0.4
190.69603	0.4
191.03540	0.6
191.10732	3.3
192.07991	0.4
193.08510	0.6
203.14444	0.6
207.10182	0.6
209.11842	100.0
210.12164	7.2
221.11803	0.6
221.15523	0.7
229.12297	0.7
231.13907	0.5
247.13477	1.8
248.24396	0.4
249.15109	1.5
275.01987	0.5
300.99966	1.0
357.24625	0.8
369.24579	0.9
383.22571	1.9
401.23340	5.5
402.23926	0.6
405.22922	0.8
415.20917	0.5
429.26373	0.7
431.32208	0.6
433.21851	0.7
433.26837	1.0
457.26147	1.4
475.27463	31.2
476.27802	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2706
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
53.33504	0.6
57.03440	1.4
59.01379	3.0
59.07973	0.7
61.98827	0.9
62.69607	0.7
63.79824	0.6
71.01369	0.6
71.05039	4.1
71.61217	1.0
73.99174	0.6
78.95914	3.8
79.01939	1.2
81.03474	0.9
83.01392	1.1
83.05026	2.0
85.02969	2.5
95.05036	0.9
97.02951	1.3
99.04541	3.0
107.05013	0.7
109.02958	4.0
109.06599	1.2
111.04527	1.1
113.02472	0.8
118.96082	0.6
122.03758	0.9
123.00845	0.8
123.04535	2.9
125.02457	6.6
125.06079	1.4
127.04029	6.3
135.04562	1.8
136.05380	0.9
137.02519	1.0
137.06096	1.1
138.03256	1.6
139.04051	3.2
141.05664	0.9
149.02544	1.1
149.06078	0.7
150.03227	0.8
151.00432	1.8
151.04044	3.1
151.07726	0.7
152.04861	2.0
153.01981	6.4
153.05487	3.8
163.04060	0.9
164.04816	2.6
165.05548	1.5
166.02731	0.8
167.03514	11.1
167.07220	1.7
177.05627	1.9
178.02740	7.2
179.00000	0.8
179.03477	1.6
179.07297	0.8
181.05049	2.0
191.07077	1.2
192.04340	1.0
193.08717	1.0
204.07991	1.2
205.05067	4.8
206.05806	0.8
206.09523	0.9
207.06645	0.8
207.14095	1.0
209.08232	1.8
219.06647	1.0
219.10387	1.8
223.06177	1.0
223.09720	1.1
233.11868	1.4
237.07805	0.8
237.11339	7.7
251.09207	0.9
261.11417	2.2
262.12033	2.5
263.12976	1.6
265.11072	1.2
273.15045	2.0
273.18488	0.8
275.16605	0.9
279.12555	1.3
279.23370	1.0
288.17514	0.9
291.15982	4.9
299.34671	0.8
299.95758	0.9
300.99918	1.1
308.38254	0.8
311.20245	1.1
316.16760	1.7
317.17639	2.6
355.19144	2.6
387.21921	0.8
401.23203	0.9
415.20795	1.5
415.25726	1.2
419.24286	1.1
431.35507	1.0
457.26007	8.6
458.26373	1.1
475.27182	100.0
475.36960	4.0
476.27579	19.8
476.38330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2704
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
52.11821	0.5
55.77011	0.6
57.03453	1.7
59.01389	2.9
59.61621	0.7
61.98847	2.9
63.11462	0.5
68.99843	0.8
69.83481	1.6
69.83893	2.3
71.05013	3.4
71.35584	0.6
73.02960	0.6
79.01874	0.8
81.03452	1.5
81.21237	0.6
83.05052	2.0
85.02955	2.8
95.01456	0.6
95.05029	1.2
97.06599	1.1
99.04511	3.0
107.05016	0.8
109.02977	3.9
109.06590	0.9
111.04530	1.2
113.02496	0.9
122.03743	0.6
123.04554	3.1
125.02431	5.6
125.06084	1.7
127.04019	4.5
135.02977	0.6
135.04558	1.2
138.03235	0.7
139.04012	3.8
141.01956	0.8
141.05516	0.7
142.28561	0.6
149.06136	1.2
150.03215	1.0
151.00407	1.9
151.04019	3.8
151.07614	0.6
152.04782	2.2
153.01955	8.3
153.05569	2.3
163.04068	1.2
164.04825	1.9
165.05611	1.3
167.03502	11.0
167.07155	1.2
177.01945	0.8
177.05649	2.1
178.02762	5.4
178.06404	0.8
179.03445	1.8
181.05106	1.7
191.07202	2.0
195.03021	0.6
196.03806	0.7
205.05045	4.6
209.08197	2.1
219.06694	1.0
219.10266	1.4
223.06236	0.7
223.09778	1.6
233.08165	0.8
237.11319	8.9
238.11772	0.9
247.09761	1.1
260.14194	0.8
261.11392	2.2
262.12134	2.1
263.13080	2.8
265.10843	1.1
273.15067	2.5
279.12488	2.0
290.18802	0.9
291.16086	4.6
301.00015	1.3
301.14267	0.6
315.16028	0.8
315.19559	0.6
316.16833	1.9
317.17648	0.9
355.19034	1.2
415.21240	2.1
415.25681	1.1
419.24631	1.3
427.24869	1.0
429.26666	0.7
457.26022	8.1
458.26563	1.1
461.25085	0.7
474.35779	6.9
475.27176	100.0
475.35635	16.6
476.27521	17.1
476.34143	1.3
486.96768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54472	0.5
55.01884	0.8
55.75675	0.5
57.03455	2.0
59.01383	100.0
60.01715	1.4
61.98840	7.6
64.71048	0.5
69.48035	1.5
69.48444	3.2
71.01388	14.8
72.99307	1.0
73.02947	5.1
79.80356	0.5
83.01395	1.1
85.02953	6.0
87.00896	2.6
87.04549	1.0
89.02456	11.6
95.01379	1.0
95.05021	1.0
96.96047	1.0
99.00874	1.2
99.04543	0.8
101.02447	10.3
109.02982	0.7
111.00903	0.6
113.02458	7.2
113.06041	0.6
119.03506	5.4
120.99635	0.7
123.00900	0.9
123.04536	1.3
125.02444	3.4
136.99036	0.6
143.03474	1.8
151.00410	0.9
152.42300	0.6
159.03038	1.0
161.04561	8.4
163.11273	0.9
167.03578	2.7
168.00655	2.3
169.01430	1.9
179.05582	3.0
181.12346	2.9
193.05104	0.7
209.15201	0.6
225.11430	1.2
241.05128	1.7
245.01007	0.6
247.02505	0.6
255.06639	14.5
255.15842	0.7
256.07007	0.8
267.10947	1.4
269.04605	1.8
274.97467	0.6
279.10947	1.4
283.06128	10.0
284.06796	2.5
301.00290	0.8
312.06366	9.7
313.07101	3.4
328.26147	0.7
345.19229	2.2
373.25928	1.4
375.60791	0.7
415.23383	8.5
416.23807	1.4
469.09241	0.6
475.12604	19.6
475.22003	11.2
475.28772	1.3
476.12964	2.3
476.22363	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80318	2.8
58.16084	3.4
60.99298	14.0
69.06904	2.9
69.59468	2.8
77.82133	3.7
85.02976	4.1
86.35312	3.2
87.00866	6.1
88.98811	100.0
121.32710	3.0
129.72755	3.5
146.74612	2.8
211.63553	2.9
264.17957	3.1
278.23569	3.2
385.23605	5.9
435.84915	3.7
475.13138	6.4
475.30453	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	475.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03447	5.3
59.01381	5.0
69.92175	7.1
71.05042	3.1
79.01904	5.0
79.10642	1.5
81.03461	2.7
83.01365	2.4
83.05025	3.7
85.02956	30.0
87.00862	4.4
88.89513	2.0
95.05013	4.6
97.02965	3.9
99.04543	3.6
109.02987	3.1
109.06654	2.3
111.04552	2.1
122.03767	1.9
123.04531	21.2
124.01658	7.4
124.05310	100.0
125.02473	17.9
125.05593	3.6
126.90456	2.2
137.02452	4.0
138.03229	7.5
139.04019	6.3
141.05559	5.2
151.00337	3.6
151.04030	5.1
152.01167	3.8
153.05591	7.5
165.01967	3.6
165.41750	1.5
166.02727	7.6
167.03485	6.8
167.07141	2.1
170.02196	1.8
179.03445	9.5
191.23462	1.6
193.05084	6.0
235.09787	6.1
236.10472	1.8
247.13324	2.8
253.52422	1.8
261.15231	1.7
273.14975	4.1
289.14362	3.4
289.18127	4.0
290.15256	4.8
332.16360	3.3
353.20987	2.2
355.19040	2.4
375.21701	4.6
387.21640	2.6
395.22101	2.4
413.23453	7.9
414.23853	1.9
415.21231	34.1
415.35025	2.0
416.21762	3.4
429.22614	4.8
457.22311	8.2
474.36707	12.3
475.22473	27.5
475.37143	44.4
476.23090	3.7
476.37250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.2
59.01384	49.4
61.17905	1.0
61.98819	2.1
65.00323	1.1
69.35983	10.2
71.00998	1.9
71.01385	26.0
72.99297	1.5
73.02930	2.3
75.00863	3.5
77.51675	1.1
83.01357	3.1
85.02963	5.2
87.00864	2.0
88.98810	1.6
89.01918	2.0
89.02448	33.7
92.01751	1.3
95.01373	2.4
96.95985	2.7
99.00894	2.3
101.02446	19.7
107.01412	5.7
107.17146	1.1
111.00893	1.6
113.02454	15.4
117.05563	2.6
119.03498	13.9
119.04963	1.7
120.99669	2.3
121.02896	1.1
123.00848	4.6
124.01633	2.4
125.02458	28.8
129.01891	1.1
131.03476	3.4
136.98749	1.6
139.00369	2.8
140.01102	2.7
143.03473	2.1
149.04568	1.5
151.00325	1.9
151.03978	1.2
153.05544	3.9
161.04648	2.0
161.08188	2.3
165.01881	1.6
165.05450	1.1
167.03419	2.3
168.00652	13.3
169.01439	33.4
170.01747	1.5
175.03976	1.3
176.04466	1.3
179.05592	2.0
191.07115	2.0
200.04158	1.0
200.33508	1.1
211.02483	48.9
212.02827	1.9
225.05814	2.7
229.01282	2.1
271.04596	45.7
272.04959	3.1
275.01871	2.0
300.99686	4.6
323.13467	100.0
324.13739	7.3
331.06631	3.9
333.00076	1.5
415.16013	5.3
475.14410	83.3
476.14816	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	475.1611
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
52.00847	0.3
53.19244	0.3
59.01378	1.5
61.98832	0.4
63.90761	0.3
64.95367	0.3
71.01410	0.5
77.51100	0.3
79.01907	0.6
85.02988	0.6
87.00874	0.5
93.03466	13.8
94.03806	0.4
94.71069	0.3
96.95998	0.4
98.19827	0.6
109.02946	0.7
119.05034	66.7
120.05337	2.3
121.02975	0.9
122.03736	0.6
123.04535	0.4
125.02458	1.0
135.04504	0.4
136.05325	0.7
137.02515	0.4
141.01892	0.5
145.02917	1.6
149.02455	2.3
149.06151	0.7
150.03236	9.4
151.03709	0.5
153.05585	0.8
163.04051	0.9
164.04802	1.5
167.03557	0.4
177.01964	2.8
178.02722	23.0
179.03288	1.4
191.03423	0.5
192.04298	2.1
193.05069	48.9
194.05356	2.4
203.03616	0.4
207.06662	1.1
210.01688	0.5
211.06117	0.7
219.06702	1.0
224.03226	2.4
229.15807	0.5
266.48364	0.3
269.08032	0.6
297.07739	1.5
298.08493	1.1
313.10831	100.0
314.07535	0.4
314.11166	9.2
329.21515	0.4
355.11926	2.2
433.22586	1.1
475.16095	5.9
475.23410	7.7
475.30347	1.4
476.16537	0.6
476.23602	0.9
495.32123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
60.99309	15.7
61.98828	2.6
65.83430	1.1
69.27934	3.0
69.28362	8.2
71.01393	8.2
71.05038	1.3
72.99347	1.5
73.02948	1.6
75.00894	1.2
85.02975	1.9
87.00877	2.5
88.00443	2.3
88.98811	100.0
89.02450	16.4
94.01730	1.0
95.01375	2.7
96.96005	2.2
98.20560	3.0
101.02435	4.1
105.01926	3.8
107.01412	3.5
113.02487	2.3
117.05620	7.4
119.03488	2.1
119.05042	1.3
120.99663	1.5
123.00880	8.5
125.02463	15.3
135.04539	1.8
136.05307	3.2
137.02495	1.3
139.00392	3.1
139.04059	1.4
140.01218	2.7
151.00418	6.1
152.03532	1.7
161.02481	2.3
161.04562	1.9
163.03987	1.4
165.05573	1.7
168.00647	3.0
169.01424	20.1
170.01781	1.2
180.04312	5.9
181.77251	1.3
194.99399	1.6
211.02478	9.5
271.04565	11.7
275.02023	3.4
300.99863	7.4
311.03598	1.3
313.05704	3.6
323.13556	6.2
331.06772	1.9
331.48596	1.3
389.58810	1.3
463.26843	1.3
475.03055	1.9
475.18048	27.2
476.18903	2.2
486.78839	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	475.143
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54704	1.1
69.71082	5.5
69.71481	2.3
76.76122	1.1
85.02962	2.2
89.06656	1.2
99.92590	12.0
111.21673	1.1
113.02444	1.6
116.92866	100.0
117.92871	6.0
166.42255	1.3
246.43008	1.2
291.12720	1.2
373.23788	7.1
440.13416	1.6
474.36768	2.5
475.26840	4.2
475.34399	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	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45774	0.7
59.01383	54.9
69.59485	4.1
71.01385	9.8
72.99304	1.4
73.24229	0.8
79.11171	0.7
83.45589	0.6
85.02971	1.8
86.90128	0.7
87.00900	1.1
89.02448	14.1
95.01410	2.3
96.79699	0.8
101.02436	8.2
107.01427	3.5
111.00880	1.5
113.02441	5.5
119.03522	5.9
123.00895	5.5
124.01659	1.1
125.02453	19.2
125.06086	0.8
128.90059	0.6
139.00386	2.1
140.01175	2.0
141.01921	0.9
143.07153	6.9
150.99268	0.9
151.00360	3.7
168.00621	7.9
169.01433	33.0
170.01810	1.5
179.05597	0.7
193.29436	0.7
198.20346	0.7
207.53026	0.8
211.02483	32.8
212.02843	1.6
223.07788	0.6
241.03627	1.2
257.00919	0.9
263.06274	0.8
271.04590	45.5
272.04944	3.2
275.01917	2.2
300.99835	2.6
313.05435	0.9
323.13461	41.8
324.13898	2.6
331.06708	3.4
413.14545	3.0
415.12540	14.4
416.12592	1.8
457.13300	1.4
475.14560	100.0
476.14841	10.9
493.25381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
59.01098	0.9
59.01383	18.6
69.28514	3.6
69.28944	2.2
71.01379	3.8
73.02946	0.6
79.01862	0.6
81.39339	0.7
83.01401	0.6
85.02925	1.3
89.02441	2.1
95.01428	0.8
95.30357	0.6
95.74338	0.6
98.19904	1.2
101.02439	2.7
113.02452	1.7
114.90953	0.6
119.03477	1.6
135.04495	1.3
137.02437	1.3
139.04016	1.1
161.04547	1.9
167.93158	0.7
168.00562	0.6
179.03447	1.8
179.10834	1.1
181.12338	2.6
190.19107	0.7
211.07611	1.5
225.05629	1.1
239.07079	2.1
241.05077	8.0
255.06633	80.5
256.07004	6.2
267.06674	2.2
269.04575	6.4
275.81796	0.6
283.06125	51.9
284.06744	10.5
285.07562	0.8
312.06406	53.2
313.07092	16.0
314.07394	0.7
316.05814	0.9
328.09512	1.5
343.11960	1.4
358.14264	2.3
415.23267	1.9
445.59863	0.6
475.12494	100.0
475.20654	4.0
476.12845	14.7
476.20847	0.7
476.22354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	56.5
62.38890	2.8
69.62037	20.3
96.07393	3.1
122.34180	3.2
176.58286	3.4
188.14981	2.8
200.93559	3.4
205.15977	9.9
206.16306	8.1
215.20807	3.2
218.14073	2.7
235.55539	3.1
278.86423	2.9
383.26129	5.3
385.24014	8.7
394.76343	3.0
410.35214	11.0
411.36111	5.7
412.36774	32.0
430.37500	15.6
431.37964	3.6
458.25635	9.9
473.36206	10.5
474.28671	100.0
474.36688	98.4
475.13464	13.8
475.28876	10.5
475.37476	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	474.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
68.99566	35.0
69.76534	40.7
69.76942	17.8
84.12416	10.9
88.00809	9.0
112.98590	18.1
150.78162	9.2
199.31169	9.4
210.78128	11.8
330.47238	10.3
345.27823	12.2
411.25354	13.9
474.28683	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Luteolin 7,4'-dimethyl ether 3'-glucoside
Peak:m/z	Relative Intensity
55.84657	0.3
56.48365	0.3
57.24888	0.3
59.01382	1.7
61.98829	0.5
71.01352	1.0
73.02924	0.6
77.59251	0.3
84.42579	0.3
85.02920	0.8
86.12318	0.3
89.02438	0.5
97.02940	0.3
98.19821	0.5
101.02418	0.7
105.35204	0.3
113.02445	0.4
117.05583	0.7
133.02974	0.9
134.03685	1.0
151.45526	0.3
160.01549	0.3
163.00407	0.5
165.01913	0.5
182.12402	0.3
209.11739	0.4
210.25005	0.3
211.03857	0.3
225.05612	0.3
241.05066	0.5
269.04568	4.9
270.05151	1.0
275.58661	0.4
297.04031	6.1
298.04828	56.0
299.05179	5.0
312.06335	2.2
313.07190	100.0
314.03824	0.4
314.07523	9.7
475.12534	21.5
475.24185	2.2
476.12686	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	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03448	0.9
57.76997	0.3
59.01383	47.4
60.01713	0.6
61.98834	1.8
65.00338	0.4
67.01910	0.9
69.03455	1.0
71.01385	9.4
72.99311	1.0
73.02949	2.5
74.99113	0.4
75.00890	0.4
79.01918	1.0
81.03451	2.0
83.01399	2.8
85.02962	4.0
87.00894	1.2
89.02436	3.5
93.03503	0.3
95.01404	2.6
97.02972	1.0
99.00896	1.1
99.04520	0.5
101.02445	5.7
107.01398	6.8
109.02946	0.5
110.00069	0.7
111.00895	2.5
113.02446	4.9
117.03456	0.8
119.03521	1.7
121.02946	0.5
123.00900	13.1
123.04537	9.4
124.01704	1.0
124.47839	0.3
125.02453	35.6
126.02786	0.5
127.00392	0.6
131.03551	0.5
135.04587	0.7
136.98837	1.5
137.02434	0.9
139.00394	5.2
139.04022	1.6
140.01208	3.2
141.01961	1.9
143.03534	0.9
143.04979	0.6
145.02982	2.9
149.02434	0.9
149.04515	0.4
151.00386	8.9
151.03978	0.5
153.01959	0.9
154.99858	0.5
159.02989	0.5
159.04491	0.5
160.01657	0.5
160.05270	1.0
161.02455	0.9
161.04591	2.9
161.06070	21.1
162.06436	1.1
163.04044	1.0
165.01891	0.5
167.03503	31.0
168.00636	4.7
168.03860	1.4
169.01433	38.2
170.01773	1.8
175.04019	0.4
179.03488	0.9
179.05681	0.7
181.12350	2.1
193.05045	1.3
211.02458	0.9
227.07132	1.0
241.05063	1.1
255.06636	13.9
256.07010	1.2
267.06622	0.4
267.11053	0.4
269.04626	1.0
279.10831	0.7
283.06134	9.0
284.06711	1.7
297.06219	0.6
300.99881	0.5
307.08203	1.3
312.06430	8.7
313.05502	7.2
314.06116	0.8
329.05209	0.8
345.19089	1.2
350.67203	0.4
415.23337	2.6
475.12457	100.0
475.22040	4.0
476.12787	14.3
476.22498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3638
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
50.76435	0.3
57.03445	0.3
57.45454	0.3
58.31979	0.3
59.01389	0.3
71.61661	0.4
85.02940	0.4
123.04505	0.3
132.68140	0.3
153.05597	0.5
195.06465	0.3
213.76437	0.3
343.69302	0.4
383.33398	0.3
427.35550	0.5
473.36374	100.0
474.36722	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	473.3638
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03459	0.5
59.70501	0.3
68.31218	0.3
71.05023	2.3
71.37379	0.7
90.98566	0.3
117.86244	0.4
121.06698	0.4
125.02470	1.2
153.05611	0.7
164.47391	0.4
251.88649	0.4
267.33292	0.4
370.42575	0.4
409.34637	1.3
411.32764	0.9
413.34268	4.9
473.36407	100.0
474.36752	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11423	0.2
57.03469	0.5
57.64027	0.2
59.01393	0.3
71.01390	0.3
71.05035	0.7
75.12190	0.3
75.56872	0.2
81.31734	0.3
83.05037	0.4
85.06643	0.3
85.23437	0.3
87.00890	1.8
89.02477	0.6
97.02929	0.3
112.57298	0.3
123.04465	0.2
127.15381	0.3
139.04030	2.9
153.05594	0.5
167.07257	0.4
190.53473	0.3
203.13055	0.3
373.15829	0.3
413.30688	1.4
427.36026	1.1
429.33810	3.2
430.34384	0.8
473.36575	100.0
474.36975	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	474.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.9
61.98834	100.0
71.01401	1.1
71.60873	0.3
71.78096	0.3
72.99358	0.2
81.03465	0.4
83.01382	0.3
85.02984	0.6
89.02468	0.7
96.96027	0.8
97.81647	0.2
99.00906	0.3
101.02468	0.7
107.01442	0.2
113.02490	0.5
125.02486	1.4
139.04045	0.9
151.00333	0.4
161.04564	0.3
202.60696	0.3
205.12355	0.8
209.11905	0.7
249.11336	7.8
249.14009	0.4
250.11731	0.6
252.17018	0.4
253.18021	0.5
301.63885	0.2
411.16824	1.0
437.22406	0.4
438.22598	0.4
439.22894	0.2
474.32977	0.3
475.22955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
76.07309	3.1
81.80318	2.7
83.09000	2.7
97.02985	2.9
97.82722	2.8
122.54239	2.8
176.20581	2.7
189.41740	2.8
201.41139	2.6
237.55780	2.8
292.75143	2.8
411.25418	11.1
474.28857	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	473.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62379	0.3
57.03466	1.3
59.01388	1.3
61.98828	0.5
65.01623	0.3
71.01402	0.5
71.60534	0.4
73.02943	0.9
81.03438	0.3
83.04996	0.3
85.02969	1.4
87.00891	0.6
97.06598	0.4
104.03777	0.3
111.08136	0.3
112.56811	0.3
116.23436	0.3
125.02457	1.3
125.09682	0.3
139.77289	0.3
153.05545	1.7
167.03413	0.5
189.12845	0.9
191.14418	1.1
300.99734	0.3
373.20239	0.3
377.28424	0.6
392.26752	0.4
407.29645	1.1
409.31067	1.4
423.29459	0.4
429.30035	0.6
439.32129	3.6
440.32581	0.7
455.21198	0.5
455.31738	1.8
473.32697	100.0
474.33084	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	473.3273
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.92144	0.2
59.01375	0.3
61.60675	0.2
61.98831	0.6
69.54382	1.7
70.65748	0.2
87.04511	0.3
113.06070	0.3
125.02448	0.6
152.98607	0.2
153.05556	0.5
365.28375	0.5
367.30121	0.5
379.30478	0.3
389.19879	0.3
395.29672	1.9
407.29532	0.7
413.08099	0.2
429.30048	0.3
473.32727	100.0
474.33060	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01385	100.0
61.98835	35.8
71.01394	10.8
71.61154	2.0
72.99311	1.5
73.02934	2.7
85.02973	4.2
87.00932	1.9
89.02468	5.8
96.96001	2.6
101.02450	6.1
102.98592	3.9
106.11416	1.4
109.02959	1.3
113.02446	8.4
117.13966	1.5
119.03508	2.7
120.21866	1.3
137.09726	9.5
159.03102	1.4
161.04588	2.4
171.12999	1.3
179.05502	1.4
213.14847	1.9
251.16548	96.0
252.16856	7.0
275.16580	1.6
283.04984	1.6
473.23578	1.2
473.27234	1.8
473.33157	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81126	0.5
54.66121	0.6
55.01855	0.6
59.01377	2.2
61.98839	1.4
71.60622	0.7
73.72191	0.5
79.01893	0.8
85.02960	3.6
85.06598	15.9
97.02965	3.1
99.92596	1.8
100.28877	0.5
109.06596	1.0
111.04532	4.2
113.02450	2.4
116.92870	16.4
117.92889	0.8
123.04546	0.9
125.02467	1.1
138.03244	0.9
153.05582	100.0
154.05905	4.2
177.05585	0.7
179.06789	0.5
207.16241	0.6
224.84543	0.6
319.22885	2.1
371.22275	8.2
372.22678	0.8
387.10794	0.7
391.24887	0.7
399.21780	0.7
437.37408	0.6
473.29007	8.8
473.36356	10.2
474.30252	1.1
474.36728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26733	0.8
55.41558	1.1
57.03436	1.4
59.01383	100.0
60.01712	1.1
61.98829	2.6
69.54189	0.8
71.01390	5.1
71.59904	1.7
71.65904	0.9
73.02952	1.2
85.02941	1.4
87.00895	0.8
89.02456	1.6
96.04285	0.8
96.96006	2.0
101.02435	2.9
108.28625	1.0
113.02446	3.0
119.03517	0.9
119.04996	2.3
123.04467	0.9
125.02464	1.6
129.70129	0.8
133.80318	0.8
137.09772	0.8
159.02896	0.9
161.04526	1.5
163.04059	1.3
165.05611	2.8
179.05428	1.1
251.16533	54.6
252.16956	5.7
275.16483	1.4
293.17798	1.2
299.91791	1.1
329.23181	1.0
443.30563	0.9
473.21817	2.1
473.32352	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.38952	0.3
57.03444	0.6
59.01389	3.9
65.00301	0.4
67.01894	1.3
68.99854	0.5
69.03468	0.5
69.60452	2.3
69.67062	0.3
71.01392	2.8
72.99306	1.1
73.02938	1.4
73.72304	0.3
79.01897	1.1
83.01391	1.5
85.02976	2.4
87.00867	0.9
87.71147	0.4
89.02460	0.9
95.01376	2.9
96.68150	0.4
97.02960	0.7
99.00865	1.0
101.02443	2.6
107.01405	3.8
110.00090	0.6
111.00889	2.1
113.02457	1.8
123.00898	17.1
124.01649	1.4
125.02457	14.4
125.03126	0.2
126.02792	0.3
127.00366	1.2
136.98792	1.4
139.00389	5.7
139.32608	0.4
140.01169	4.1
141.01982	2.4
150.99162	0.6
151.00378	12.2
152.00690	0.5
153.01961	0.7
154.99881	0.5
163.04044	0.4
168.00647	4.3
169.01433	17.4
170.01787	0.7
179.10777	1.7
184.89609	0.4
247.47137	0.4
249.06102	0.5
267.07172	1.2
274.74872	0.3
313.05685	0.9
323.61829	0.3
429.17554	1.3
449.47510	0.4
473.20316	100.0
474.20657	13.0
485.59653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.9
57.03443	6.6
59.01383	58.6
61.98829	2.0
69.43557	16.4
71.01388	43.3
72.99317	5.7
73.02946	16.0
75.00877	2.2
82.92492	2.0
83.01393	4.8
83.66168	1.7
85.02951	21.1
87.00871	3.5
87.04516	6.6
89.02442	21.6
95.01384	4.9
96.96020	20.4
98.19850	2.4
99.00887	5.7
99.04513	2.3
101.02441	45.6
103.03986	2.8
105.05598	8.1
107.01423	4.0
107.05046	3.5
113.02461	18.6
113.09735	5.3
119.03498	6.8
119.05031	3.9
123.00869	3.6
124.01663	3.2
125.02447	7.3
129.83275	1.8
133.10139	2.3
135.11804	22.4
139.00435	2.2
139.04002	3.6
143.03435	4.0
145.02950	6.1
149.02362	2.3
151.00313	4.2
151.47061	1.8
159.03006	3.9
159.08185	2.9
159.10286	11.3
161.04561	22.1
161.09723	18.8
161.13379	2.9
163.04018	2.5
168.00658	9.1
169.01404	8.6
179.05617	3.7
179.10779	100.0
180.06615	3.0
180.11131	5.6
183.02960	11.9
187.11296	5.7
188.69229	1.8
189.09181	3.9
205.12337	3.7
211.02475	3.4
251.16521	5.4
267.10846	92.7
267.61966	2.2
268.11057	3.9
271.04630	2.0
289.07501	2.8
307.08591	23.9
308.08875	2.4
311.14984	8.1
314.00711	3.4
321.15561	13.5
329.03091	4.7
393.15616	6.0
473.21222	53.5
473.31451	2.3
474.20541	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87188	0.8
58.00599	0.7
59.01381	38.4
69.55103	3.4
69.55526	2.0
71.01383	19.6
71.13245	0.7
72.99291	1.5
73.02937	1.8
74.61597	0.7
79.01880	1.2
79.24196	0.7
83.01380	1.1
85.02948	4.1
87.00835	1.0
89.02445	23.0
95.01382	3.2
97.02956	1.6
98.20605	1.5
99.00883	3.6
101.02450	14.0
101.03489	0.7
107.01379	3.0
111.00862	1.5
113.02457	7.3
119.03513	7.2
119.05003	4.8
123.00883	15.9
125.02444	14.2
131.03505	2.1
139.00360	4.5
140.01163	2.1
141.01878	2.3
141.09229	6.8
143.03386	0.9
149.04518	4.3
151.00375	9.3
159.10310	3.5
159.75137	0.8
161.04504	0.9
168.00647	2.7
169.01440	11.8
170.01904	0.8
191.05525	1.5
211.02443	2.9
233.06758	1.7
271.04602	3.4
293.08792	6.2
321.15561	21.3
322.15891	1.7
455.15439	1.6
473.16617	100.0
474.16910	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55488	1.3
55.01881	2.5
57.03443	3.4
58.00601	1.2
59.01382	29.4
66.31856	1.1
67.01878	2.7
68.99802	2.5
69.03449	3.4
71.01389	25.0
72.99312	5.1
73.02965	6.1
75.00879	19.1
75.46300	1.1
76.86625	1.2
79.00004	1.2
79.01922	1.7
83.01381	3.3
85.02962	23.8
87.00878	9.2
89.02448	10.3
94.00952	1.1
95.01400	6.8
97.02951	2.0
98.19810	1.7
99.00889	13.0
101.02416	6.2
101.06104	1.8
103.00358	1.2
107.01387	4.4
111.00877	4.6
113.02467	24.1
115.00436	1.6
117.01921	2.1
123.00895	20.9
124.01728	1.2
125.02455	17.3
129.01962	2.1
131.03554	1.5
135.11812	8.9
136.98853	1.9
139.00410	8.2
140.01175	5.8
141.01941	3.1
149.04573	1.8
151.00374	15.7
153.01875	1.3
153.22200	1.1
161.04523	2.2
161.09769	2.8
168.00607	4.1
169.01431	22.5
175.02496	1.8
179.10774	30.6
180.10980	2.0
194.87990	1.3
205.07138	1.4
231.05038	4.3
249.06155	41.3
249.43091	1.3
250.06487	1.4
267.07208	17.7
267.10498	1.9
268.07574	1.3
328.12979	1.3
370.77042	1.1
411.16547	2.4
429.17651	50.2
430.17981	6.6
455.15314	1.3
473.21252	100.0
474.15619	1.1
474.21469	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	473.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47758	0.6
55.14468	0.6
57.03406	0.8
58.02094	0.6
59.01323	3.0
61.98779	1.8
70.81220	1.0
70.81572	1.2
71.01360	0.7
72.90121	0.6
85.02898	1.1
111.00869	0.6
119.04961	0.6
123.04572	3.1
125.02412	1.3
133.02873	2.4
135.04431	0.8
135.08130	0.7
149.02342	1.1
151.00328	0.8
153.05550	0.9
158.67410	0.7
163.03958	1.3
165.05475	0.7
177.01912	1.4
191.03375	0.7
199.07910	0.6
211.07596	1.0
227.07233	1.4
239.07060	2.3
241.05055	2.7
255.06627	34.8
256.07047	3.1
267.06598	0.9
269.04532	2.9
283.06137	46.1
284.06659	7.8
311.05637	53.4
312.06378	45.9
313.06934	3.7
326.07977	19.0
327.08740	100.0
328.09067	11.7
373.28052	0.7
390.63474	0.7
455.31479	0.8
472.35709	4.3
473.14685	23.4
473.21677	1.1
473.33255	5.9
474.15076	3.0
483.67630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98221	2.8
59.01376	5.0
69.82942	13.4
85.02964	4.5
88.81470	2.0
97.11485	2.5
99.92587	11.1
113.02459	5.1
116.92867	100.0
117.92950	4.2
139.05652	2.2
153.05635	7.0
182.31793	2.6
226.67204	2.0
371.22348	12.3
391.24585	2.7
428.36200	11.9
429.36777	7.9
438.11609	3.2
472.35132	88.5
473.25647	12.6
473.36270	87.6
474.36453	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	473.1457
Annotation	Peperomin F
Peak:m/z	Relative Intensity
54.77317	0.7
55.01901	0.9
57.03451	2.2
59.01385	66.2
61.98828	4.6
71.01380	7.2
71.05030	1.2
71.61465	0.6
71.61922	0.8
72.99309	0.8
73.02970	2.6
75.00893	0.7
83.01422	0.6
83.05028	1.0
85.02972	2.6
87.00893	1.0
89.02465	3.6
93.03473	0.8
95.01404	1.4
96.04497	0.8
96.96021	1.4
99.00887	1.5
101.02459	3.9
101.06123	2.0
103.04028	3.2
108.02229	1.1
113.02473	4.1
117.03447	4.8
119.03534	1.7
123.00903	0.8
123.08140	0.7
125.02505	2.0
135.04564	1.5
136.59998	0.6
139.04015	0.9
145.02939	0.8
149.02524	1.1
161.04582	2.3
163.04088	0.7
169.01422	1.8
175.03990	4.0
177.01949	2.8
179.10896	1.0
181.12440	3.3
183.92529	0.8
193.05106	1.7
207.13873	0.7
211.02469	0.8
223.07674	1.2
225.11282	1.2
227.06903	1.2
251.07155	1.1
251.16536	14.9
253.05080	0.9
267.06589	5.3
268.07468	1.2
271.04602	1.3
272.04883	1.5
273.05164	1.5
275.16541	3.7
279.06631	1.4
280.07455	1.6
281.08301	2.1
282.08795	1.0
294.05380	1.5
295.06110	28.3
296.06906	99.9
297.07501	14.9
309.07678	4.8
310.08398	2.0
311.09259	63.9
312.09607	5.8
413.21829	1.4
429.20215	1.0
458.12021	2.3
473.14499	100.0
473.20340	6.1
474.14926	14.5
474.20718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16928	5.6
59.01384	23.8
61.41320	6.2
67.01896	7.0
69.47307	5.2
69.95194	32.5
71.01382	22.0
72.99352	7.3
74.09512	5.4
79.95740	8.2
85.02920	8.2
95.01386	13.0
96.12309	6.3
101.02479	12.6
107.01389	6.8
111.00909	10.9
119.05045	7.9
123.00901	31.3
125.02479	44.9
133.06552	6.6
137.02492	8.2
139.00406	15.2
140.01120	10.6
145.02942	14.1
149.02516	7.3
150.03198	20.2
151.00400	12.2
154.22456	7.1
161.02435	18.1
163.04007	8.9
165.05530	19.7
167.03465	6.6
168.00627	7.0
169.01439	53.9
173.02531	11.1
183.02974	92.0
189.01955	6.3
193.05078	7.8
195.06667	11.0
203.03442	8.8
205.05034	8.0
211.02484	15.8
229.01462	9.0
235.06035	9.8
245.00996	15.8
261.00424	6.6
271.04645	20.5
273.00381	9.9
275.02039	22.9
300.99963	33.9
313.05649	11.5
321.12363	8.1
382.03391	7.3
473.07480	18.8
473.13104	100.0
474.13589	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	473.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70355	2.7
57.03440	3.2
59.01380	5.1
61.98835	2.8
69.58169	16.7
69.74284	3.1
76.54128	2.7
85.02977	6.7
95.01419	2.9
95.06484	2.7
98.20585	6.0
99.92580	20.4
100.92570	4.0
104.50787	2.9
113.02487	4.0
115.92079	3.3
116.92868	100.0
117.92854	6.8
125.02430	8.6
141.21663	3.1
153.05597	17.3
176.48067	2.7
224.94968	7.1
267.80450	2.7
371.22342	17.9
391.24936	5.1
429.29993	3.5
437.28909	3.5
472.35056	29.5
473.12598	9.5
473.24615	5.5
473.29269	12.7
473.36508	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50342	0.4
57.03445	0.5
59.01393	1.7
60.08281	0.3
60.99316	1.0
61.98836	62.4
71.12409	0.4
71.61391	0.7
71.97456	0.3
79.33624	0.4
81.03445	0.5
87.00905	2.5
122.81995	0.3
123.08228	0.5
125.02467	0.7
137.77460	0.4
139.04033	1.3
153.05612	1.7
166.02806	0.5
167.07147	0.6
179.03537	0.5
353.17932	0.6
373.26538	0.4
408.33377	1.2
409.25934	2.0
413.19299	0.4
424.32959	1.0
425.33444	1.2
426.33783	4.9
427.34259	0.4
428.36072	0.5
471.34705	4.4
472.35077	100.0
473.25476	2.2
473.35864	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47681	0.5
59.01384	12.0
61.98826	3.4
71.01385	7.7
71.05021	0.7
71.60783	0.8
72.99280	0.9
73.02959	1.4
73.26509	0.6
78.28678	0.5
79.95737	17.6
80.39105	0.5
80.96524	15.5
85.02940	2.5
87.00880	2.1
87.54252	0.6
88.97506	0.7
88.98767	0.7
89.02467	9.3
89.81181	0.6
93.03463	3.6
95.01399	1.0
96.96027	7.3
97.02905	0.7
99.00890	2.3
101.02444	4.0
104.08492	0.6
108.02192	0.9
111.00887	0.9
113.02460	1.9
117.03483	1.2
117.05577	2.4
119.03491	0.9
119.05012	3.0
120.99662	1.0
121.02949	6.5
122.03764	5.3
123.00905	5.4
123.04558	1.5
124.01709	0.7
125.02460	4.3
126.63002	0.6
131.03442	1.7
132.02193	2.3
133.02937	0.9
134.03749	4.6
135.04547	1.3
137.02457	2.6
138.03212	1.7
139.00414	1.7
143.48120	0.6
144.09323	0.6
145.02959	2.6
149.02477	7.9
149.04553	4.9
149.06082	1.1
150.03232	68.8
151.00386	1.7
151.03583	3.1
153.05585	2.3
153.53206	0.6
158.34898	0.6
160.01685	9.3
161.02455	1.2
161.04590	0.7
162.03197	1.6
163.04037	3.3
164.04745	2.3
165.05574	100.0
166.05925	6.6
166.99884	4.1
167.03496	0.8
168.00569	1.1
168.82515	0.7
169.01434	5.1
175.04015	10.8
176.04405	0.7
177.01784	0.6
177.05589	1.0
179.03514	1.2
179.10722	0.8
180.04282	4.6
181.05078	1.9
181.08629	0.7
182.02225	9.8
191.05692	1.1
193.05049	5.8
195.06638	30.3
196.07022	2.0
197.04568	17.9
198.04898	1.0
203.00235	1.2
204.22398	0.7
205.05193	0.8
211.02481	1.0
225.07680	1.3
229.01434	1.5
235.06100	1.2
245.01248	73.3
246.01550	3.4
259.02640	0.9
275.02304	49.7
276.02704	3.3
301.00073	3.2
321.06281	1.1
331.92978	0.6
393.11902	4.3
394.12128	1.2
473.07639	70.7
473.16608	25.8
474.07968	9.5
474.16684	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00298	0.4
56.46551	0.4
59.01379	0.9
61.98832	1.0
69.55972	2.8
72.99306	0.4
81.77427	0.4
86.68658	0.4
98.20540	0.9
125.02464	1.4
126.16377	0.4
153.05641	0.5
162.43063	0.4
218.80194	0.4
402.80408	0.5
409.31552	0.5
423.32803	0.9
427.32132	0.5
433.22559	0.9
471.35092	100.0
472.35431	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47469	0.3
57.03453	2.2
59.01375	0.6
70.16553	1.0
71.05026	0.5
79.70417	0.3
125.02485	1.2
177.66510	0.3
247.35530	0.3
256.89227	0.3
334.73410	0.3
389.19675	0.4
409.31454	0.4
433.22369	0.7
435.23959	0.4
453.30286	0.5
471.34970	100.0
472.35263	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	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.9
60.99295	5.7
61.98812	3.7
62.67798	1.6
69.03451	3.7
74.32584	1.9
77.18006	1.5
90.80553	1.5
125.02413	2.8
391.29855	3.1
407.33160	33.7
408.33398	5.0
409.34912	4.2
427.31592	2.1
427.36417	2.7
441.33606	2.1
445.36768	1.9
453.33597	6.2
471.35165	100.0
472.35696	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30441	0.3
64.15482	0.3
66.90267	0.3
69.63885	2.5
98.19907	0.7
110.06147	0.4
152.89511	0.4
201.71141	0.3
254.37869	0.4
342.37161	0.4
385.77841	0.4
405.31799	0.4
423.32565	0.8
471.34805	100.0
472.35126	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53659	0.2
60.58174	0.2
67.14452	0.2
69.76205	1.2
69.76619	0.3
98.20525	0.3
124.11539	0.2
128.31218	0.2
192.48021	0.2
216.92955	0.2
471.34799	100.0
472.35153	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	471.348
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01379	1.3
71.60735	0.7
78.95890	0.5
80.93356	0.4
85.02968	1.0
124.01603	0.5
125.02460	0.8
154.64935	0.5
169.05054	0.8
211.06175	0.9
213.92175	0.5
221.01988	0.4
247.37903	0.5
261.63464	0.4
303.42517	0.5
336.61060	0.5
339.61310	0.5
354.21429	0.5
373.23874	0.8
425.33597	0.7
427.35764	10.0
428.36188	2.6
453.33759	8.3
454.34030	1.0
471.34772	100.0
472.28259	1.2
472.35107	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01397	0.4
69.70691	1.3
71.35158	0.3
81.98667	0.3
85.41368	0.2
97.06564	0.5
114.23075	0.2
123.08217	0.2
124.68945	0.2
125.02471	0.3
125.09750	0.9
151.91978	0.2
157.51299	0.2
161.57790	0.2
187.09772	0.5
188.17741	0.2
221.19171	0.3
265.18195	0.3
283.19232	0.3
374.56851	0.2
421.89310	0.3
439.32275	0.4
471.34897	100.0
472.35226	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92554	0.3
69.77740	0.7
69.78147	1.0
78.05650	0.3
83.80206	0.3
98.20547	0.5
122.93131	0.3
131.72607	0.3
168.05095	0.3
275.54031	0.3
334.24857	0.4
407.33099	3.9
408.33713	0.6
471.34814	100.0
472.35156	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01382	0.2
60.99304	1.1
66.44571	0.3
69.68343	1.5
77.41197	0.2
82.76820	0.3
88.60313	0.3
97.06607	0.4
104.71078	0.3
134.64812	0.2
152.35345	0.3
180.62738	0.3
196.41273	0.2
205.41180	0.2
351.26926	2.2
353.28488	4.1
354.28677	0.4
377.18503	0.3
407.33249	4.1
408.33630	0.7
425.34323	0.5
453.33823	2.1
454.34360	0.4
469.33255	0.3
471.34814	100.0
472.35144	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09061	0.5
64.76530	0.5
69.51546	2.8
72.69146	0.5
90.69170	0.5
97.06599	2.6
120.35706	0.5
128.39868	0.5
138.92430	0.5
142.05258	0.6
183.20784	0.5
232.42619	0.5
389.28638	0.8
391.30270	2.5
405.31696	2.2
406.31839	0.6
407.33243	5.2
423.28452	1.1
441.33731	1.2
451.32053	6.5
452.32736	1.4
453.33734	29.0
454.34027	4.1
471.34814	100.0
472.35138	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58587	0.3
56.82238	0.3
69.67841	1.5
84.27531	0.3
169.27509	0.3
203.15729	0.3
226.02893	0.3
342.61139	0.3
393.31638	0.4
402.30994	0.3
405.31885	0.4
471.34805	100.0
472.35150	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	471.3116
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
59.01376	0.6
61.98825	0.7
63.11494	0.4
63.45860	0.3
71.05031	1.7
71.60988	0.6
73.02953	0.4
74.69608	0.4
94.37009	0.4
97.02953	0.9
121.86387	0.4
125.02448	0.7
139.04033	6.9
145.10088	0.3
153.05527	0.5
153.65620	0.3
211.88516	0.4
377.28531	0.4
379.30283	0.7
407.29431	1.3
427.20911	0.5
439.32269	0.5
453.33762	1.1
469.33252	2.0
470.33966	0.7
471.30496	100.0
472.30905	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	471.3118
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
50.69030	0.5
52.92045	0.5
57.03454	0.7
59.01383	1.5
61.98823	1.4
64.22707	0.5
71.01373	0.6
71.05017	2.3
71.59682	0.6
77.53108	0.5
81.03484	0.7
85.02943	0.8
125.02476	3.7
136.96367	0.6
142.12964	0.6
327.65988	0.6
377.28543	2.2
405.28265	0.8
407.29449	3.3
408.29797	0.8
411.28986	1.6
412.29071	0.8
427.01434	0.6
427.32224	1.8
433.22321	5.5
434.22318	0.6
435.23395	1.9
441.30060	0.8
453.30157	12.0
454.30670	2.7
468.64001	0.6
471.31110	100.0
472.25070	1.2
472.31546	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.7
67.02149	0.3
69.03481	0.4
69.55734	1.1
69.56145	1.0
70.55923	0.3
71.05038	0.5
72.42379	0.3
97.02966	2.7
159.42712	0.3
220.00352	0.3
337.25479	0.6
409.31161	0.8
411.32803	2.0
451.32169	0.7
453.33749	3.4
454.34042	0.6
469.32913	0.5
471.34836	100.0
472.35168	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06507	1.2
55.01876	1.4
57.03446	7.6
58.00567	1.5
59.01384	41.9
61.98835	9.4
67.01896	1.3
71.01383	27.0
71.60727	1.9
72.99316	2.1
73.02938	3.8
75.00867	1.7
75.50948	1.2
83.01375	3.8
83.05033	1.6
85.02956	28.9
87.00851	3.6
87.04524	1.5
89.02450	10.3
92.45679	1.3
95.01398	1.7
96.96037	6.2
97.02966	1.7
97.06547	1.2
99.00829	2.7
99.04509	2.1
101.02453	16.2
103.04012	46.3
106.93761	1.1
107.01386	3.5
111.00846	1.9
111.04524	2.2
113.02451	7.7
113.06078	2.2
117.03476	12.9
117.05537	1.5
117.10080	1.2
119.03506	5.3
119.05003	8.8
120.99703	1.2
121.10223	3.0
123.00885	15.5
124.01719	1.2
125.02441	14.9
135.04469	2.4
135.08182	1.2
135.11792	5.3
139.00354	3.2
139.03992	6.4
140.01178	2.7
144.77715	1.4
145.02962	49.3
146.03252	3.0
149.09712	3.9
151.00380	12.0
159.08127	1.6
161.04564	1.4
161.06097	2.2
161.09743	8.0
163.04021	8.3
168.00677	2.0
169.01447	15.6
179.05524	1.5
179.10757	17.4
181.05020	1.9
182.25908	1.4
187.03987	2.2
187.97153	1.1
193.12257	3.4
203.10773	8.4
205.05026	3.0
211.02315	1.5
221.11801	4.7
223.09715	5.3
235.06232	1.4
249.14993	7.8
261.56912	1.1
265.09308	48.2
266.09467	2.9
307.08270	7.7
325.12863	1.5
327.21552	2.1
356.38531	1.5
385.15192	2.1
402.10822	1.3
427.19733	62.8
428.20197	10.4
471.13339	5.0
471.18643	100.0
472.19101	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	471.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03456	3.7
59.01388	9.1
66.99200	1.0
67.01904	1.1
68.99831	1.6
69.03464	1.4
70.66734	1.8
70.67072	2.1
71.01389	67.3
71.64260	1.0
71.64651	1.2
72.01696	1.6
72.99326	5.7
73.02956	6.3
78.95895	1.4
80.78590	1.0
83.01413	6.0
85.02959	35.1
86.00116	2.1
87.00882	13.3
89.02446	3.0
95.01385	4.1
96.96030	3.0
97.02974	2.0
99.00913	2.1
100.33359	1.0
101.02448	5.8
105.01923	1.1
111.00884	3.8
113.02460	38.3
114.02798	1.4
131.03503	6.2
139.00365	1.6
157.01328	1.9
160.35635	1.0
165.04089	2.1
173.04526	7.9
189.04079	2.5
201.04059	8.5
205.07123	1.5
233.06714	2.2
237.73479	1.2
245.06656	3.8
249.06163	2.8
282.03723	0.9
317.08725	4.8
321.08099	5.3
322.94098	1.2
339.09317	6.0
361.07974	3.3
393.10428	5.4
411.11435	18.6
412.11963	1.5
471.13574	100.0
472.13947	10.7
482.96097	1.4
490.36032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03442	0.7
58.00588	0.8
59.01385	18.2
61.98840	0.5
67.01888	1.1
69.16392	0.4
69.49239	0.8
69.49663	2.7
70.56514	0.5
71.01384	11.1
72.99305	1.7
73.02968	0.6
79.01878	1.1
83.01382	1.0
85.02935	2.9
87.00871	0.9
88.29749	0.5
89.02447	11.6
95.01407	2.6
96.95998	1.3
97.02962	0.5
98.19908	0.8
99.00895	0.6
101.02459	9.4
107.01414	2.9
109.02948	0.8
111.00903	2.2
113.02453	3.9
119.03500	6.5
123.00896	15.0
124.01644	0.9
125.02456	16.4
127.00410	0.8
131.66615	0.4
135.88794	0.4
136.98822	1.1
137.02502	0.5
139.00394	3.2
139.07668	9.1
140.01208	3.2
140.08105	0.5
141.01915	1.3
151.00366	7.6
152.00703	0.5
153.01944	0.5
157.08698	1.9
168.00653	3.3
169.01430	15.2
180.02785	0.6
191.03479	0.8
209.04536	0.6
211.02505	5.4
237.08575	0.6
271.04568	5.8
313.05652	0.8
319.13968	27.5
320.14276	2.2
354.46243	0.5
424.78241	0.5
427.16101	1.2
453.14044	4.6
454.14569	0.7
457.96252	0.4
458.43326	0.5
471.15060	100.0
472.15384	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	471.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.4
58.00587	1.9
59.01382	35.1
61.98822	3.8
67.64794	1.2
69.28207	6.0
69.28632	7.2
71.01387	21.8
71.05019	2.3
72.99310	2.9
73.02953	4.7
83.01398	2.8
85.02959	32.0
85.06618	1.9
87.00880	2.4
89.02444	15.0
95.05002	1.6
98.19936	3.2
99.04533	1.9
101.02430	13.1
101.06104	4.5
103.04021	52.0
103.04716	2.7
111.04564	1.6
113.02452	7.6
117.05608	1.4
119.03524	6.8
121.10210	1.8
125.02444	1.5
135.11804	6.0
139.04008	4.1
145.05072	2.4
149.09706	4.0
149.14192	1.3
153.05573	3.0
159.11806	1.8
161.09734	11.6
167.37329	1.5
179.10779	19.6
193.12326	5.1
203.10767	7.9
221.11850	4.2
223.09700	3.4
249.14954	3.2
265.09274	67.5
265.12234	2.5
266.09589	4.3
312.26132	1.5
383.28271	1.7
385.15033	2.0
422.81622	2.1
427.19736	100.0
428.20023	12.9
471.18637	40.6
471.33145	5.2
472.18976	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	471.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.2
58.00595	1.3
59.01384	23.7
61.98835	5.2
65.07106	0.6
67.53652	0.5
69.33122	3.3
69.33533	1.5
71.01387	15.2
71.05016	0.9
72.99303	1.2
73.02962	2.7
81.07066	0.6
83.01379	1.6
83.05037	0.8
85.02957	26.7
86.03284	0.6
87.00903	1.4
87.04520	1.4
88.44065	0.5
89.02448	8.7
95.01378	0.7
96.96047	0.6
97.02951	0.9
97.06594	0.7
99.00852	0.7
99.04512	1.4
101.02441	7.0
101.06081	1.0
103.04018	54.1
104.04351	1.1
111.04533	1.3
113.02453	4.4
117.05574	0.7
119.03497	3.5
121.10248	0.8
123.08128	0.8
125.02504	0.8
125.06109	0.6
131.03476	0.6
133.10234	0.9
135.08122	1.5
135.11818	5.2
139.04010	1.9
145.05046	1.9
149.09679	1.9
159.08170	1.5
159.11794	2.0
161.09727	7.4
163.11273	1.0
175.11238	1.0
177.12801	2.4
179.10779	18.1
180.11139	1.6
193.12337	2.5
203.10817	4.9
205.08554	0.6
221.11823	5.8
223.09763	2.6
234.07547	0.8
247.08301	1.6
265.09268	43.7
266.09543	1.7
267.74582	0.6
325.12943	0.7
385.15076	1.1
409.18719	1.5
427.19720	100.0
428.20081	12.9
453.17749	0.9
458.61026	0.7
471.18631	33.2
471.33356	1.2
472.18848	4.6
472.65955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
59.01400	0.2
61.98818	0.9
63.99249	0.4
71.04993	0.2
71.60598	0.3
85.06583	0.6
97.06602	0.6
98.19896	0.2
117.84273	0.2
125.02375	0.3
129.69659	0.2
153.05586	2.0
163.93605	0.2
167.07159	0.3
193.05075	0.3
300.99854	0.2
351.26303	0.2
360.24872	0.3
391.30139	0.8
393.31699	1.4
406.25787	0.6
423.33197	1.1
424.33313	0.4
425.01389	0.5
425.30637	0.4
437.30548	2.4
438.31070	0.5
439.32220	0.7
469.33206	100.0
470.33554	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03453	5.9
61.98818	1.3
64.76382	0.4
67.09769	0.4
68.26735	0.4
69.58428	1.5
69.58841	1.4
71.05033	0.5
71.06876	0.4
72.91939	0.4
77.90125	0.5
78.66896	0.4
80.93765	0.4
95.05058	0.6
97.06595	0.8
108.02102	0.5
109.02926	0.4
123.07864	0.5
125.02457	0.7
134.03752	0.7
137.02432	1.3
146.10625	0.4
149.06012	0.6
151.04117	0.5
166.41048	0.4
218.68829	0.4
299.99127	0.5
300.90601	0.4
319.15527	1.9
333.17148	1.8
337.25305	0.8
367.30048	1.9
379.30005	0.6
389.28558	0.8
405.31622	2.7
407.00296	0.5
407.33267	1.2
423.32678	1.7
425.01550	1.6
425.34296	36.8
426.34653	6.6
449.30661	1.5
451.32153	0.7
467.31729	2.7
469.22382	5.6
469.33270	100.0
470.22995	0.9
470.33646	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	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
60.99315	9.3
61.98832	5.6
69.69003	1.9
69.69403	4.7
73.00942	0.9
81.03522	0.8
85.02930	1.0
89.48844	0.8
97.06578	5.5
99.04555	1.8
101.89834	0.9
109.06641	0.9
125.02473	2.8
137.09808	1.2
139.04019	1.4
140.22746	1.0
152.04788	1.2
153.05569	2.2
180.34569	1.0
190.68118	0.8
198.95059	0.9
225.19020	0.9
273.50565	1.0
299.99219	2.6
300.99902	2.0
307.15356	1.5
375.27396	1.5
379.00970	2.0
387.26978	1.0
389.28510	10.7
390.29016	2.2
391.30017	12.8
392.30240	1.1
403.29990	2.1
405.31619	35.0
406.32138	4.8
407.00586	2.1
407.27789	2.1
407.33231	43.6
408.33496	7.5
409.31305	2.9
423.28735	1.7
423.33679	1.4
425.01569	11.0
425.34387	15.8
426.34814	3.2
437.30804	1.7
439.32175	14.4
440.32922	1.2
451.32272	14.6
452.32578	2.6
469.22437	12.0
469.33374	100.0
470.22964	2.2
470.33649	19.1
483.31406	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	469.3323
Annotation	Lantic acid
Peak:m/z	Relative Intensity
69.55240	3.9
81.98713	0.5
99.85039	0.4
129.91391	0.5
201.09734	0.5
241.66043	0.6
289.21738	2.5
393.27939	2.2
407.29593	2.8
409.31033	2.2
421.30917	0.6
423.32687	58.0
424.32980	9.0
425.34338	2.6
469.33221	100.0
470.33563	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54450	0.9
56.36659	0.8
61.98835	100.0
69.52961	1.8
69.53371	4.5
71.15998	0.9
81.03468	2.1
83.12233	0.8
100.21105	0.9
125.02451	2.8
167.56026	0.8
202.26352	0.9
300.73224	1.0
363.29037	3.3
369.20813	2.0
373.24039	1.1
407.28043	49.3
408.28345	5.1
430.06143	1.0
470.29889	2.8
471.27765	2.2
471.34723	6.4
475.42334	1.0
498.01547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.2
59.01381	2.4
61.98833	1.0
64.09689	0.2
69.80252	1.3
71.01392	1.8
73.02965	0.5
83.01392	0.3
85.02965	0.7
87.96066	0.2
89.02473	0.5
93.03458	0.4
95.01424	0.3
96.96028	0.8
99.00867	0.2
101.02454	0.9
103.04034	0.3
113.02461	0.6
117.03481	26.0
118.03814	0.9
119.05036	12.8
119.05908	0.5
120.05347	0.4
121.02961	0.5
121.06593	0.3
123.00945	0.3
125.02451	0.9
131.04984	0.5
132.05812	0.4
133.06635	1.3
137.02513	0.3
137.25153	0.2
139.04013	0.4
145.02966	100.0
146.03307	5.1
147.04510	0.3
159.04550	1.1
161.04720	0.5
161.06082	3.4
161.09793	0.3
162.97310	0.2
163.04022	15.3
164.04352	0.7
167.57108	0.2
169.01451	0.6
177.05557	0.9
179.10753	0.8
187.04036	4.0
201.05531	0.3
205.05098	2.9
217.05098	0.2
229.05022	0.2
235.06105	2.2
249.14958	0.4
265.07169	4.6
265.09744	0.4
266.07498	0.3
300.99985	0.3
307.08240	11.8
308.08640	0.9
309.07803	0.6
325.09418	1.4
381.09958	0.3
411.10895	1.0
412.10941	0.3
427.31067	0.3
471.12985	6.7
471.18991	1.6
471.29254	0.3
472.13382	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.3
64.52280	0.3
68.20303	0.3
69.61160	2.0
95.05004	0.4
97.06573	0.8
139.04015	1.2
157.39391	0.3
161.91367	0.3
169.01395	0.3
176.24352	0.3
199.56194	0.3
229.63937	0.3
231.06700	0.3
344.96844	0.3
354.89539	0.3
404.87775	0.3
405.31638	1.3
423.32916	0.4
425.01474	0.6
425.23331	0.6
425.34268	1.6
439.32129	0.3
451.26266	0.5
451.32272	4.3
452.32373	0.9
469.33200	100.0
470.26926	0.7
470.33560	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.296
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
55.01878	2.7
58.39126	1.0
70.03167	2.4
70.03561	2.2
74.29062	1.3
83.05022	2.7
96.96022	2.6
98.20708	1.2
109.06599	19.6
111.04526	6.7
121.99255	1.2
123.04561	2.5
123.08175	23.3
124.07556	1.4
124.08463	1.9
125.06124	1.6
137.09746	2.4
139.07664	2.5
147.08153	2.2
149.05966	1.4
151.04028	2.4
152.04822	7.7
153.05556	3.7
165.09196	7.3
166.82887	1.0
167.07161	1.6
170.76532	1.1
172.67485	1.0
179.03549	3.4
180.04286	7.7
191.07175	2.0
194.05794	1.5
199.01231	1.1
207.06628	4.9
209.08206	12.9
301.21649	9.0
317.17853	1.2
367.26453	2.3
369.28107	2.4
385.27628	3.3
393.93365	1.1
397.23694	2.4
412.26434	1.3
413.26953	2.0
425.30746	3.7
469.29703	100.0
470.29977	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2961
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
55.01872	2.1
57.03420	0.6
62.95154	0.6
69.63724	4.4
78.91891	6.1
79.01909	0.7
79.95744	0.9
81.03468	1.0
82.47376	0.7
82.57314	0.6
83.05018	2.3
94.04245	0.8
95.05006	1.0
96.96026	5.4
107.05044	1.6
108.05795	0.8
109.02992	0.8
109.06603	13.8
111.04535	5.1
121.06611	1.9
123.04520	1.6
123.08166	15.4
125.06087	1.1
128.65279	0.6
135.04549	1.2
137.06114	0.8
137.09773	3.5
139.07663	1.0
147.08203	2.1
148.34888	0.7
148.37453	0.7
149.06087	1.8
151.04031	1.6
152.04817	4.7
152.05890	0.8
153.05597	2.6
163.07567	0.7
165.01942	0.9
165.05612	1.1
165.09207	4.6
167.07135	1.1
179.03496	2.6
180.04315	7.1
191.07132	0.9
193.05052	0.7
194.05875	3.1
207.06671	5.1
207.86992	0.6
209.08212	4.6
212.03275	0.7
221.08266	1.2
263.12848	0.9
273.75040	0.7
277.21777	1.3
301.21725	5.8
313.25342	0.7
317.17535	0.9
346.68359	0.7
357.20639	1.4
367.26453	2.4
369.27966	3.7
383.22623	1.4
385.27396	2.0
386.28088	0.8
389.27701	0.8
397.23969	6.1
397.31119	0.8
398.24332	1.1
407.29526	1.3
412.26672	0.8
413.26892	1.3
425.23416	2.3
425.30441	3.3
451.28516	1.9
469.29590	100.0
470.29959	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	469.2961
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
57.10407	2.2
57.47660	2.0
71.61005	4.2
73.53270	2.2
76.33633	2.1
83.04969	2.2
96.96019	5.4
109.06620	12.6
111.04516	8.1
123.04587	2.6
123.08193	12.7
137.09735	2.4
139.07634	2.1
147.08176	3.4
151.04028	2.9
152.04796	5.8
153.05612	2.3
161.64809	2.0
165.09195	7.6
179.03485	3.7
180.04289	8.4
194.05971	2.9
194.38306	2.3
207.06667	4.3
209.08264	5.4
221.08275	2.2
238.19037	2.0
254.46996	2.8
255.68074	2.2
275.12149	2.2
301.21814	6.4
314.03110	2.2
367.26605	2.4
369.27753	4.8
377.12546	2.9
385.27313	4.2
397.23862	7.5
425.23413	6.7
425.30630	6.4
469.29562	100.0
470.29892	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	469.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24421	0.9
52.03228	0.7
53.75759	0.8
55.04936	0.8
55.92326	0.8
57.03453	9.6
59.01383	5.6
61.98846	5.1
68.27454	0.9
69.03477	1.3
71.01383	3.9
71.05024	1.2
71.61631	1.4
73.02954	1.4
81.03470	8.4
83.01379	3.6
83.05038	2.5
85.02988	2.7
89.02431	2.3
91.34943	0.9
95.05023	1.1
96.96008	1.3
98.90496	0.9
99.04503	1.1
101.02451	1.5
101.06062	1.5
113.02424	1.4
121.02994	1.7
123.04523	1.2
123.08152	1.6
125.02456	100.0
126.02776	5.0
137.02438	0.9
137.09735	6.6
139.04045	2.6
140.17657	0.9
141.09218	4.3
149.02449	10.8
151.00385	1.2
153.05557	1.8
155.71838	1.0
161.13275	1.1
163.04034	0.9
175.00296	1.1
177.12848	9.0
179.10806	20.1
180.11099	1.4
191.03522	1.4
219.13925	11.4
221.12022	1.2
247.13521	1.0
263.12799	3.2
269.11847	1.2
287.12875	3.5
289.10800	3.8
289.18054	1.2
299.99146	2.6
307.11893	79.4
308.12231	9.0
313.10883	3.2
331.11865	15.7
332.12219	1.3
349.13010	1.5
355.46613	0.9
373.13092	2.8
379.00922	1.2
425.01669	8.3
433.14801	1.0
451.16138	1.9
451.29419	1.2
469.17191	32.5
469.23624	6.4
469.30740	1.6
470.17645	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	469.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01382	7.3
61.98828	3.1
65.00317	0.6
67.01904	0.5
68.92389	0.4
68.99837	0.5
69.31659	2.7
69.32063	1.2
71.01392	7.6
72.99301	0.5
73.02950	2.6
75.00887	0.5
76.74428	0.4
79.01891	0.5
83.01408	2.0
85.02959	3.9
87.00884	0.7
89.02429	2.3
93.03471	0.5
95.01386	2.2
96.96024	1.9
97.02946	0.6
99.00887	0.8
101.02461	5.9
107.01401	3.0
111.00899	2.6
113.02433	2.2
113.37369	0.4
117.03521	0.5
119.03452	0.5
121.03017	0.5
122.03722	0.6
123.00904	12.0
123.04526	0.8
125.02460	17.3
125.09708	0.7
126.02774	0.7
127.00335	0.7
131.03439	0.6
136.98793	1.2
137.02414	1.8
139.00386	4.7
140.01173	2.9
141.01923	1.5
145.02917	1.2
151.00386	11.0
151.07632	0.7
153.01920	0.7
154.94652	0.5
161.02415	1.3
161.04514	1.0
163.04041	0.9
166.37952	0.4
167.03558	1.2
168.00668	4.3
169.01445	23.8
169.27878	0.4
170.01741	0.7
179.03488	1.6
179.10849	0.5
189.05505	0.5
193.01543	0.5
211.02493	3.0
223.02534	0.5
241.03604	0.9
245.00949	0.4
253.30141	0.5
271.04645	2.3
277.16663	1.3
299.99139	1.7
307.11926	0.4
313.05695	2.1
379.00903	0.9
407.00211	0.7
409.20901	4.6
410.21451	0.5
425.01517	5.1
425.25571	0.8
426.02240	0.7
469.17102	100.0
470.17392	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	469.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03442	3.3
58.00605	2.4
59.01381	53.0
61.98833	60.5
69.03457	1.5
71.01382	21.2
71.60526	2.0
73.02977	3.8
74.23296	1.5
75.00879	6.6
79.46640	1.8
79.95739	9.7
83.01402	2.9
84.65740	1.3
85.02965	7.0
87.00889	2.7
89.02451	13.7
93.03483	4.4
95.01401	2.6
95.95245	3.5
96.96019	46.6
97.02922	1.7
99.00897	5.0
101.02449	13.3
107.01380	7.6
109.02961	2.2
110.97612	2.6
111.02030	1.8
113.02485	6.8
117.03471	17.0
119.03542	4.2
119.05032	49.9
121.02992	2.1
123.00110	1.8
123.00842	10.0
123.04511	1.6
125.02448	17.2
129.01933	3.3
132.05835	1.6
133.06580	8.4
137.02429	2.5
139.00385	3.6
140.01190	2.2
140.66037	1.4
143.03479	1.6
143.07164	2.6
145.02960	75.4
146.03308	4.0
147.04582	1.9
151.00388	20.2
153.01944	3.7
159.02980	1.9
161.04745	3.5
161.06064	26.3
163.04008	45.7
164.04414	4.7
168.00641	3.4
169.01434	21.2
175.04031	1.6
177.01988	2.8
177.04063	4.7
177.05617	11.5
179.03528	1.8
179.05678	1.7
187.03992	2.0
195.05151	5.5
195.26642	1.5
205.05066	27.7
206.05299	1.6
211.02472	5.0
235.06114	19.7
245.01067	1.9
265.07166	43.3
266.07581	2.6
271.06244	53.7
272.06458	6.5
299.99005	7.7
300.99875	4.4
313.05743	2.8
323.13446	54.5
324.13907	3.6
325.09335	8.3
388.05264	1.6
389.18106	16.5
407.00400	5.1
407.20618	2.0
409.15070	5.3
409.20166	2.3
425.01477	16.1
426.01773	2.8
433.12097	1.9
469.11890	15.9
469.17319	100.0
470.12622	1.6
470.17548	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	468.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93988	1.4
61.98832	100.0
69.71246	6.6
81.03448	2.6
81.67194	1.1
107.84735	1.1
125.02443	3.6
165.31438	1.0
186.98207	1.4
310.35361	1.2
343.26318	1.2
361.27603	3.5
405.26453	49.2
406.26660	7.0
469.33224	4.4
474.05264	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	468.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26116	4.7
61.98835	100.0
69.71097	27.6
83.01386	9.3
93.83173	5.0
96.96079	7.8
109.06570	7.7
109.15814	5.7
110.06928	5.6
117.18879	5.9
123.08192	10.2
125.01599	10.0
125.02453	99.7
136.19197	5.9
141.66951	5.2
148.08374	6.6
156.16995	6.5
196.36646	5.2
233.10628	5.5
276.57251	6.1
320.91269	5.6
332.89923	5.7
405.26364	21.5
468.28336	100.0
469.28101	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58428	0.5
67.75240	0.4
70.04805	2.1
96.69901	0.5
96.95974	0.5
97.02737	0.5
98.20620	0.8
99.53655	0.5
112.12749	0.4
123.00884	0.8
125.02468	0.9
128.03542	0.6
145.02966	0.7
158.71367	0.6
161.80806	0.4
169.01411	0.7
172.01648	0.9
173.02399	0.6
189.02011	0.8
193.01408	0.6
195.04547	0.7
197.06017	0.5
200.01059	1.0
201.01778	0.6
201.05774	0.8
207.04480	0.9
208.04958	0.5
216.00571	1.2
217.01387	0.7
223.04048	1.3
228.00659	1.1
229.01445	0.9
235.03970	0.7
242.99388	0.8
244.00098	1.0
245.00923	1.7
251.03514	1.7
253.04929	0.7
267.02951	1.5
270.98840	1.8
271.99597	1.9
273.00421	1.9
279.02954	2.1
280.03543	0.6
281.04681	0.7
282.98932	1.0
295.02502	1.6
298.98346	1.9
299.99127	25.5
300.99817	6.0
305.01132	0.6
307.02771	1.6
309.04266	0.7
314.00760	0.8
323.01889	1.8
324.99860	2.5
325.03635	1.5
334.00803	0.7
335.01956	3.1
336.02328	0.6
338.00821	0.7
339.01584	0.6
340.99255	0.5
341.03058	1.4
351.01340	4.2
351.43100	0.5
353.02954	1.4
363.01117	0.7
369.02518	0.9
379.00955	15.4
380.01300	1.7
381.02545	1.4
382.99713	0.6
397.02026	2.8
407.00446	19.1
408.00684	2.3
425.01514	100.0
426.01843	12.7
450.99576	0.8
469.00327	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	469.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52188	0.5
66.88494	0.5
70.36081	2.1
88.51243	0.5
160.01715	0.5
160.08641	0.5
161.02411	0.5
172.01591	0.6
189.01909	0.7
197.05998	0.7
200.01276	0.7
213.66887	0.5
216.00639	1.1
217.01257	0.6
223.04025	1.0
228.00594	0.9
235.04149	1.0
241.04906	0.7
242.99342	0.7
244.00043	0.8
245.00830	1.1
251.01073	0.6
251.03549	1.9
259.71768	0.5
263.03683	0.7
267.03094	1.1
270.98801	1.5
271.99536	1.7
273.00381	2.0
279.03030	1.6
281.04318	0.7
295.02548	1.3
297.04233	0.7
298.98373	2.1
299.67261	0.5
299.99103	21.9
300.99823	4.4
306.01813	0.5
307.02463	2.1
309.03961	0.7
312.99820	0.7
313.03397	0.6
314.00662	0.9
323.01959	1.4
324.99811	1.7
325.03201	1.0
326.00580	0.6
335.01956	3.4
340.99377	0.5
341.02979	0.9
351.01465	4.0
352.99332	1.0
353.03110	1.4
357.52805	0.6
363.01187	1.0
369.02417	1.3
374.84503	0.5
379.00940	15.3
380.01334	1.6
381.02597	1.1
388.99347	0.7
397.02039	1.3
405.99649	0.8
407.00439	17.9
408.00940	3.0
425.01520	100.0
426.01822	10.3
450.99564	0.7
469.00360	2.9
491.93942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01389	6.0
61.98822	1.0
65.59835	0.6
69.03452	0.6
69.26011	1.6
69.26431	4.3
71.01390	5.9
71.05019	3.2
71.67540	0.5
72.99293	0.8
73.02953	1.1
73.40161	0.7
74.96945	0.6
79.95747	19.1
82.95427	0.7
83.05029	0.7
85.02953	2.1
86.73137	0.6
89.02447	3.0
95.01355	0.9
95.95242	15.4
96.96020	100.0
98.19829	1.2
101.02452	2.7
107.08688	0.6
109.02911	1.3
111.08168	1.5
113.02448	2.0
114.93383	0.7
117.05570	0.9
119.03455	0.7
119.04984	0.7
123.00917	0.9
125.02451	3.5
125.09722	0.9
137.02437	0.7
145.02960	0.9
151.00435	0.8
169.01460	4.5
170.01895	0.6
183.13953	3.3
206.06088	1.5
209.11826	1.3
227.12946	3.2
245.08783	0.6
271.04538	1.1
271.99451	0.9
289.07535	0.7
291.09109	0.8
298.98239	1.5
299.99176	5.3
300.99921	4.7
302.00165	0.9
307.08603	2.6
308.25909	0.6
349.09811	1.0
360.45468	0.6
389.18231	1.4
392.53760	0.8
407.09918	0.9
425.01572	6.3
425.86996	0.6
426.01993	1.4
446.77216	0.7
469.13824	97.8
470.14084	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	468.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64274	1.5
59.01390	3.3
61.53314	1.6
61.60642	1.7
61.98836	100.0
65.43549	1.7
69.03469	3.6
69.36385	11.6
69.97440	2.0
81.03461	5.5
95.01385	4.0
95.05038	2.0
109.06618	1.6
116.80675	1.6
121.02854	1.7
123.00903	3.8
124.01684	4.9
125.02461	25.4
126.02782	2.7
135.04587	1.8
139.04022	3.9
140.04343	1.9
149.57828	2.0
151.00369	3.2
152.01149	4.2
153.05562	2.6
153.81538	1.7
166.02797	2.1
177.12787	1.8
179.03488	4.3
191.67899	1.7
193.05049	1.7
205.77155	1.6
207.06581	1.7
215.31136	1.7
226.92126	1.6
229.01326	1.7
262.12134	3.2
299.99048	2.1
301.00113	4.2
316.74591	1.6
405.19189	97.0
406.19449	9.2
407.00208	2.6
421.77280	2.1
425.01212	12.9
467.33530	2.6
468.23575	7.2
468.34341	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.48056	1.3
69.81841	2.4
69.82261	4.8
81.03473	3.6
98.19911	2.4
122.03726	3.2
125.02460	5.1
137.98480	1.2
247.16997	6.1
262.78842	1.4
271.76572	1.3
300.25302	1.3
358.42664	1.4
405.26483	57.7
406.26932	8.1
469.33035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2289
Annotation	Maoyerabdosin
Peak:m/z	Relative Intensity
57.03460	1.9
59.01379	2.8
61.98839	1.2
67.01893	0.8
67.03005	0.5
69.03454	2.1
69.95184	1.3
69.95595	0.7
71.01397	2.4
71.05031	4.5
72.89382	0.4
73.02956	1.9
81.03461	1.8
83.01408	1.3
83.05031	2.5
84.02179	0.7
85.02948	4.3
87.00900	0.6
89.02425	0.5
93.03485	0.8
94.10529	0.5
95.01375	0.6
95.05032	2.7
96.96031	0.8
97.02945	2.5
99.04528	4.2
101.02447	1.1
107.05077	1.0
108.02219	0.7
109.02966	5.0
109.06590	0.4
111.02058	0.9
111.04539	2.8
113.02486	1.3
113.06064	0.5
119.05064	1.2
121.03020	0.5
122.03739	0.5
123.00897	1.3
123.04553	4.1
125.02460	15.8
125.06108	2.1
127.04027	10.9
135.04495	0.9
137.02510	0.9
138.03242	1.0
139.04025	1.7
139.07687	0.5
145.02924	0.5
151.00395	0.6
151.04013	6.6
151.07602	0.7
151.38826	0.4
152.04779	2.1
153.01952	1.0
153.05576	6.1
153.12871	0.5
154.02733	0.4
155.10883	0.6
163.04034	1.0
164.04770	0.7
165.05539	0.6
167.03493	2.8
169.01399	2.7
169.05112	1.6
171.46091	0.5
175.99452	0.4
177.01907	1.0
177.05525	0.8
178.02716	3.6
179.03493	0.8
181.05089	1.7
191.03510	0.9
191.07146	1.5
192.04314	0.8
193.08757	0.5
205.05118	2.6
206.09534	0.9
209.08221	1.5
221.15410	0.4
223.06078	0.9
233.08234	0.8
245.12079	0.8
245.15540	1.0
247.13350	1.1
260.14117	0.7
261.15036	0.7
263.12921	1.8
273.11566	0.6
288.13739	1.2
289.14508	2.0
300.99979	0.9
305.17722	0.4
307.15530	1.1
307.18881	0.4
313.05972	0.5
374.75543	0.4
379.21484	0.9
405.23203	0.9
407.20914	2.4
411.20206	1.4
421.22467	0.9
422.99753	0.8
423.23956	0.5
425.21890	1.0
449.21857	10.3
450.22275	1.6
452.20331	0.6
467.22971	100.0
468.23291	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03458	4.3
59.01379	9.2
61.98834	5.6
63.02413	1.1
64.50318	0.6
67.03009	1.1
69.03455	2.9
69.77919	4.3
71.01378	6.5
71.05023	2.9
73.02943	2.3
81.03462	2.1
83.01389	1.7
83.05027	1.8
84.02154	0.7
85.02945	3.5
85.06567	3.2
87.00876	1.1
88.04053	0.7
89.02442	2.2
93.03478	2.4
94.64837	0.8
95.01355	1.1
95.05020	5.7
96.96012	3.4
97.02966	2.7
97.06618	0.8
99.00874	1.6
99.04520	2.9
101.02454	3.7
101.06091	0.9
107.05009	0.9
109.02950	3.2
109.06570	4.4
111.02016	1.7
111.04540	5.3
113.02456	3.3
115.00411	0.7
117.03468	0.7
121.02946	0.9
121.06563	1.1
123.00948	0.9
123.04546	4.2
123.08150	1.5
124.01669	48.2
125.02515	8.6
125.06066	1.5
127.04015	2.7
135.04509	1.8
135.08180	1.8
137.02428	3.0
138.03159	0.7
139.04019	100.0
139.11256	3.2
139.51978	0.7
140.04361	4.1
141.61653	0.6
145.02946	2.6
149.02455	0.7
149.09886	0.7
151.00394	0.7
151.04010	3.1
153.02017	0.9
153.05583	43.1
154.05922	1.7
161.02446	1.6
161.04544	1.5
163.04036	1.8
163.07640	0.7
167.03503	1.2
169.01407	4.2
175.03957	0.7
177.02031	0.7
179.03456	1.7
183.10265	15.2
261.18658	1.2
275.02008	1.0
279.12375	0.8
283.08112	1.2
287.16681	1.9
289.07162	1.1
300.99982	2.1
305.13904	1.7
305.17715	2.6
313.05588	1.5
335.01913	2.1
365.16019	0.8
367.01239	0.8
376.99582	0.8
391.03140	0.9
395.00543	1.2
423.00037	1.8
449.21899	4.9
450.22076	1.0
467.22961	75.6
468.23273	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	467.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.3
59.01382	9.4
60.99925	1.1
67.01886	2.3
67.03046	1.1
69.03460	6.3
70.70227	1.1
71.01392	9.2
71.04683	1.2
71.05010	5.9
71.37306	1.9
71.37654	1.4
72.99328	1.2
73.02948	5.5
75.00875	9.5
81.03448	7.0
81.08149	1.2
83.01394	3.9
83.05032	3.9
85.02955	10.8
87.00878	3.1
87.04509	1.3
89.02460	1.5
95.01411	2.2
95.05010	5.9
97.02969	5.6
99.04535	5.5
101.02458	4.0
101.06115	1.3
107.01392	13.1
107.05038	1.5
109.02982	6.7
111.00877	2.7
111.04543	5.5
113.02470	2.3
116.32705	1.2
122.03739	1.5
123.00893	15.9
123.04517	5.4
124.01665	2.5
125.02454	100.0
125.06097	3.2
126.02782	3.0
127.04027	12.0
129.01950	3.4
129.30371	1.1
132.28796	1.4
135.04514	1.3
136.98840	1.5
138.03262	1.2
139.00359	5.9
140.01146	4.5
141.01884	4.0
151.00378	10.5
151.04008	9.0
152.04767	1.7
153.01935	1.8
153.05588	8.2
159.03027	2.7
163.04121	1.3
164.04797	2.0
167.03503	3.5
168.00630	6.5
169.01427	91.2
169.05064	2.3
170.01733	3.0
177.04053	35.0
178.02715	4.6
178.88637	1.2
191.07172	2.0
205.05107	2.9
206.09526	1.5
209.08101	2.9
211.02475	4.6
219.59863	1.2
235.15997	1.2
251.12903	1.3
263.12964	2.6
267.77737	1.4
271.04568	2.7
276.84451	1.1
287.16504	1.3
288.13666	2.5
289.14484	2.6
329.05072	9.8
330.05719	1.3
335.14426	1.4
338.68201	1.1
407.20853	4.6
411.20096	2.7
421.22678	1.8
422.99301	1.1
449.21902	13.1
467.18832	91.6
467.23135	93.3
467.33682	7.0
468.19064	13.3
468.23489	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	467.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02340	0.4
55.01862	0.9
55.29304	0.5
57.03442	2.8
59.01379	5.0
61.98846	3.6
63.02383	0.6
67.03020	0.8
67.10545	0.5
68.47968	0.6
69.03450	2.3
71.01385	4.0
71.05022	1.9
72.99313	0.5
73.02952	2.4
79.01899	0.6
79.95789	0.5
81.03466	1.5
83.01409	1.0
83.05048	2.1
85.02940	2.6
85.06594	3.2
87.00862	0.6
89.02441	1.4
93.03461	1.6
95.01407	0.5
95.05032	3.8
96.96021	3.2
97.02957	1.8
99.00868	1.4
99.04516	1.9
101.02451	2.8
101.06105	0.8
107.01397	1.0
107.05042	0.7
108.02158	0.6
109.02973	2.7
109.06586	2.9
111.00927	0.6
111.01988	1.3
111.04551	2.9
113.02456	2.2
113.06042	1.1
117.03486	0.7
119.03519	0.7
119.05054	0.9
121.06684	0.5
123.00896	0.8
123.04530	2.6
123.08192	0.8
124.01668	50.0
125.02505	5.5
127.04018	1.5
137.02478	2.7
138.03241	0.5
139.04021	100.0
139.11292	3.4
140.04347	3.5
142.17242	0.5
145.02962	1.6
149.02463	0.7
151.04008	2.4
153.01982	0.7
153.05583	30.3
154.05939	1.4
159.03082	0.6
159.04446	0.5
161.02431	1.3
161.04584	1.4
163.04008	1.9
167.03528	1.3
167.05006	0.7
169.01387	2.5
171.78905	0.6
179.03513	0.7
181.05167	0.6
183.10278	14.6
184.10651	0.8
249.04085	0.6
256.96042	0.6
283.08224	1.7
287.16473	0.9
289.07327	1.0
300.99911	1.2
305.14182	0.8
305.17682	1.6
313.05859	0.6
355.02130	0.6
395.00342	0.9
404.99158	0.6
411.20712	0.7
422.99988	1.6
449.21640	3.9
466.52957	0.8
467.22998	55.0
468.23257	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	467.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98829	1.6
63.23070	0.9
67.01902	0.8
67.57575	0.7
67.99298	0.8
69.03466	1.1
70.25196	1.8
70.25558	1.7
71.01392	4.4
73.02937	1.0
79.01898	1.2
83.01379	0.9
85.02960	2.4
87.00882	0.8
95.01392	2.9
97.02988	1.8
101.02454	1.9
101.36019	0.8
107.01389	10.6
108.02190	11.0
109.02972	6.8
111.00909	2.3
113.02449	3.0
117.05609	0.9
122.03757	1.2
123.00905	16.1
123.04531	61.7
124.01702	1.5
124.04856	1.7
125.02455	67.7
126.02826	2.1
127.00356	0.8
135.04546	1.3
136.98788	1.6
137.85841	0.8
138.02002	2.5
138.25140	0.7
139.00424	5.3
140.01155	3.7
141.01945	2.2
145.02924	1.9
145.05157	0.9
149.02470	1.0
151.00369	9.6
152.01152	12.7
153.02049	4.6
153.05583	68.0
154.05901	2.3
161.04579	0.9
163.03891	0.7
165.01953	1.3
166.99870	1.2
168.00655	5.7
169.01436	92.3
170.01799	3.2
173.02463	1.3
177.02020	0.9
185.02525	1.4
189.02092	0.9
191.03539	1.5
193.98535	2.1
201.02074	1.4
203.03548	1.0
211.02441	3.3
217.01228	1.0
229.01369	2.6
231.02866	1.9
241.03654	1.9
245.00868	0.8
247.02608	0.9
253.03577	1.5
257.00888	1.8
258.01520	0.7
271.04602	3.3
273.00430	1.4
275.01959	7.3
276.02493	1.0
297.06094	1.2
299.99072	1.1
300.99899	15.9
302.00250	2.9
313.05649	40.3
314.05954	3.4
315.07254	4.0
315.10931	2.3
379.00861	0.8
382.02426	1.2
391.03116	10.3
391.53232	5.1
423.00189	1.2
423.09302	8.3
424.09930	1.6
466.52875	1.2
467.12616	100.0
468.12912	12.0
473.45355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
69.03450	1.1
69.32387	5.2
71.01393	3.1
73.02950	0.7
83.01431	0.6
85.02964	1.5
95.01414	1.6
101.02460	1.7
107.01395	8.3
108.02200	2.1
109.02911	0.8
111.00910	0.9
113.02470	1.9
113.48756	0.5
121.02958	0.8
123.00900	8.7
123.04537	53.4
124.01762	0.8
124.04890	2.1
125.02457	45.6
126.02783	1.6
136.98784	1.2
139.00339	3.1
140.01164	2.2
141.01939	1.7
151.00371	5.8
151.35913	0.6
152.01140	1.6
153.05586	56.4
154.05949	2.4
163.04022	0.6
165.02039	0.6
168.00677	2.4
169.01440	63.5
170.01808	2.0
211.02538	1.2
241.03488	0.7
257.00650	0.8
275.01855	1.2
295.11932	0.6
300.99921	4.3
302.00040	1.0
313.05661	34.5
314.06119	2.2
315.10919	1.6
391.03064	2.4
391.53528	0.9
467.12097	100.0
468.12430	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	467.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98841	1.6
63.85902	1.0
67.01884	1.3
69.03474	2.4
69.72395	4.9
71.01369	5.0
79.01877	1.9
81.03479	2.2
83.01411	1.2
85.02955	3.5
95.01385	4.3
97.02963	1.9
101.02441	3.3
107.01384	14.8
108.02183	29.9
109.02971	14.8
110.00127	1.2
111.00888	3.7
113.02450	3.9
121.02921	1.2
123.00884	17.2
123.04525	58.5
124.01728	1.2
124.04876	1.3
125.02447	71.9
126.02780	2.5
127.00377	1.5
136.98805	1.8
137.02386	1.5
139.00401	6.7
140.01149	4.2
141.01915	2.8
145.02885	1.4
151.00378	12.4
151.04048	1.7
152.01146	34.1
153.01985	10.4
153.05573	56.1
154.05917	2.0
161.02425	1.2
163.03983	1.4
165.01945	1.6
168.00632	7.3
169.01424	100.0
170.01749	3.6
193.01419	1.1
193.98563	5.4
194.99309	1.3
211.02420	1.5
226.59067	1.0
229.01402	2.2
241.03510	1.4
242.76572	0.9
248.16985	1.0
249.04060	1.7
257.00934	1.5
271.04745	1.2
275.01913	4.4
297.06177	1.7
299.99265	1.4
300.99869	10.9
302.00119	2.1
313.05627	39.8
314.06119	1.7
315.07227	12.5
316.07248	1.2
391.03217	8.4
391.53198	2.3
392.02972	1.4
411.23175	0.9
423.09241	22.3
424.09628	2.2
449.07230	1.4
466.53006	2.4
467.07953	69.9
467.12387	57.2
468.08279	8.2
468.12817	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.98449	0.5
57.03449	3.1
59.01385	6.3
67.01891	2.2
69.03452	2.8
70.04832	1.4
70.05225	1.3
71.01385	8.7
71.05034	1.4
72.99301	1.7
73.02949	2.7
75.00878	8.7
76.22519	0.6
77.63859	0.6
79.01902	0.7
81.03446	3.0
81.30817	0.7
83.01394	2.8
83.05023	2.3
85.02951	6.5
87.00880	0.9
89.02455	1.6
91.99806	0.7
95.01404	1.8
95.05024	2.7
97.02951	2.0
99.00889	2.3
99.04516	1.2
101.02449	4.4
101.06093	0.8
107.01390	9.3
109.02953	1.4
110.67049	0.6
111.00860	1.8
111.04533	1.1
113.02441	1.5
114.51043	0.6
123.00086	1.2
123.00897	13.0
123.04516	1.8
124.01697	1.1
125.02455	68.2
126.02786	2.7
127.00314	0.7
127.03996	2.4
129.01935	2.3
136.98781	1.8
139.00371	4.2
139.04002	0.9
140.01173	3.4
141.01938	1.7
151.00380	7.9
151.03946	1.9
153.05551	2.7
159.02982	2.4
161.04619	0.9
168.00618	3.0
169.01434	73.4
170.01863	3.2
176.03481	0.9
177.04054	28.0
211.02505	4.1
228.48987	0.7
246.89864	0.7
271.04462	1.1
289.14539	0.8
313.05597	1.1
329.05209	9.2
335.20923	1.2
407.20618	0.8
449.21750	2.1
467.18323	100.0
467.33673	4.5
468.18738	16.1
468.33893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98841	1.6
63.85902	1.0
67.01884	1.3
69.03474	2.4
69.72395	4.9
71.01369	5.0
79.01877	1.9
81.03479	2.2
83.01411	1.2
85.02955	3.5
95.01385	4.3
97.02963	1.9
101.02441	3.3
107.01384	14.8
108.02183	29.9
109.02971	14.8
110.00127	1.2
111.00888	3.7
113.02450	3.9
121.02921	1.2
123.00884	17.2
123.04525	58.5
124.01728	1.2
124.04876	1.3
125.02447	71.9
126.02780	2.5
127.00377	1.5
136.98805	1.8
137.02386	1.5
139.00401	6.7
140.01149	4.2
141.01915	2.8
145.02885	1.4
151.00378	12.4
151.04048	1.7
152.01146	34.1
153.01985	10.4
153.05573	56.1
154.05917	2.0
161.02425	1.2
163.03983	1.4
165.01945	1.6
168.00632	7.3
169.01424	100.0
170.01749	3.6
193.01419	1.1
193.98563	5.4
194.99309	1.3
211.02420	1.5
226.59067	1.0
229.01402	2.2
241.03510	1.4
242.76572	0.9
248.16985	1.0
249.04060	1.7
257.00934	1.5
271.04745	1.2
275.01913	4.4
297.06177	1.7
299.99265	1.4
300.99869	10.9
302.00119	2.1
313.05627	39.8
314.06119	1.7
315.07227	12.5
316.07248	1.2
391.03217	8.4
391.53198	2.3
392.02972	1.4
411.23175	0.9
423.09241	22.3
424.09628	2.2
449.07230	1.4
466.53006	2.4
467.07953	69.9
467.12387	57.2
468.08279	8.2
468.12817	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	467.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01070	0.7
57.03431	1.9
59.01380	8.2
61.98829	5.2
65.00301	2.6
67.01874	1.8
68.99808	2.0
69.03458	1.3
69.45090	5.7
71.01385	7.3
72.99295	1.4
73.02908	1.3
75.00848	1.1
78.46835	0.8
79.12052	0.7
81.03431	1.7
83.00986	0.9
83.01398	11.1
85.02932	3.6
87.00870	1.6
89.02424	2.6
95.01392	1.9
96.95975	3.0
97.02926	1.4
101.02448	4.8
107.01389	11.6
107.87266	0.9
109.02973	6.3
111.00838	2.6
113.02420	2.2
117.05531	3.1
121.02948	2.0
122.28858	0.8
123.00890	9.6
123.04487	1.4
124.01640	2.0
125.02455	61.8
126.02741	2.0
133.02850	0.9
134.03682	1.9
135.04501	0.9
136.98840	1.1
137.02478	2.1
138.03159	0.9
139.00334	2.8
139.03917	1.9
139.81982	0.8
140.01080	3.3
141.01913	0.9
145.02908	2.0
146.87239	0.8
147.04494	1.7
149.02356	3.3
149.06024	1.0
151.00386	23.1
151.03952	1.5
152.00934	0.8
153.01949	83.3
153.05478	4.3
154.02228	2.8
157.08665	1.0
159.04347	1.0
161.02374	1.7
163.03951	2.1
165.01843	2.2
166.99849	1.1
167.03447	1.5
168.00595	3.8
169.01431	80.8
170.01689	3.4
173.02354	1.8
175.03905	1.3
177.01845	2.5
179.03452	1.6
180.06485	1.1
183.03012	1.4
185.02377	1.7
189.01964	1.8
190.02608	1.0
191.03409	0.8
193.01324	1.3
195.02972	1.3
201.01862	2.3
203.03412	1.4
211.02443	9.1
213.01884	1.0
216.00542	0.8
217.01315	1.2
218.02107	0.9
229.01358	4.0
230.02000	0.9
233.04405	1.5
233.06436	1.2
241.03394	1.4
245.00780	2.1
249.03902	1.2
252.03732	0.8
257.00751	2.6
257.20560	1.1
258.01328	1.6
269.14078	1.0
271.04633	5.9
271.99719	1.0
273.00317	1.7
274.00925	1.3
275.01990	6.5
276.02417	1.7
283.99854	0.9
285.07407	1.4
299.08990	1.3
299.98978	1.2
300.99902	35.5
302.00195	4.4
303.01242	0.9
313.05661	39.5
314.05875	2.8
335.01923	1.0
367.00900	1.8
373.01837	1.4
379.00534	1.0
391.03006	12.7
391.53336	4.5
392.03891	3.9
407.22668	1.0
418.99420	0.9
422.99588	2.2
439.08578	2.7
458.02863	0.8
460.64883	1.0
467.08014	100.0
467.22141	2.8
467.53445	1.2
468.08350	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	466.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.84254	1.7
78.86208	0.7
96.96023	5.1
418.99429	0.9
466.30573	10.2
467.30759	1.4
487.78641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95234	0.5
59.01376	2.0
65.00338	0.6
69.03462	1.5
71.01395	3.7
73.02946	1.8
75.00849	0.7
79.00575	0.5
79.01926	0.6
81.03468	2.0
83.01414	1.0
83.05006	1.2
85.02978	1.3
86.50349	0.5
87.00892	0.7
89.02451	1.3
93.03457	4.6
95.01405	2.4
95.05007	0.5
96.96014	2.7
97.02959	1.8
98.19899	1.2
99.00893	1.7
101.02463	1.0
105.01945	0.8
105.03466	2.1
107.01449	0.8
107.04966	0.6
109.02934	2.8
111.00903	1.3
111.04532	4.0
113.02482	1.1
117.03483	1.5
119.05019	0.9
121.02949	4.8
123.00910	1.7
123.04591	2.6
124.01669	1.5
125.02463	13.7
131.03520	1.1
131.05057	1.4
137.02451	6.5
139.04031	1.1
145.02933	2.9
145.06674	0.7
147.04521	2.0
148.01714	0.7
149.02448	6.6
151.03989	4.2
155.03502	0.8
157.06583	1.1
159.04547	3.0
160.05356	0.6
161.02449	1.9
161.06073	1.5
163.03937	0.9
164.01186	4.0
165.01950	9.7
166.99898	4.5
169.01430	2.7
171.04610	0.6
173.02451	2.3
173.06013	1.0
174.03142	0.9
175.04007	12.8
177.01944	1.4
177.05598	1.5
183.04535	0.7
185.02730	0.6
185.04578	3.7
185.06033	1.3
187.04053	1.7
187.07571	0.5
188.04771	1.1
189.02031	0.9
189.05620	4.9
190.02750	1.2
191.03458	2.0
193.01430	100.0
193.25203	0.6
194.01753	5.4
195.03004	1.6
199.03981	0.9
201.01952	2.7
201.05562	3.0
203.03514	12.8
203.07185	2.1
204.04114	1.8
205.01439	0.6
205.05052	3.5
205.08626	0.8
207.02855	0.5
209.00851	0.7
213.01959	0.8
213.05537	1.6
214.02730	0.7
215.03514	1.3
217.01512	1.3
217.05080	2.9
218.02240	0.8
218.05539	0.9
219.03047	1.0
219.06590	2.2
221.04611	1.9
227.01799	1.0
228.04329	0.6
229.01625	4.1
229.03477	2.0
229.05171	2.1
230.02077	1.0
231.03070	4.3
231.06636	4.2
232.03589	0.6
233.00847	1.8
233.04585	1.1
237.00409	11.2
242.02171	2.2
243.03026	1.1
243.06578	1.0
244.03810	0.7
245.00940	2.2
245.04509	4.9
247.02466	13.3
247.06189	1.2
248.02945	1.2
249.04022	0.9
257.01022	0.9
257.04553	5.1
259.02441	2.7
259.06012	1.0
260.03314	1.7
261.00443	0.8
261.03888	1.0
261.07697	0.9
263.05368	0.8
269.04593	0.6
271.02563	0.8
272.03284	0.7
273.00418	4.6
273.04346	0.9
273.07672	1.1
274.01172	0.8
275.01993	2.5
275.05630	10.4
276.06027	1.4
287.05646	1.4
289.03519	1.7
291.01462	0.6
291.05057	0.6
291.08429	0.7
293.08765	1.6
300.99918	3.3
301.03543	1.7
302.00177	1.0
305.03180	1.3
305.06607	1.3
307.08344	1.0
317.06693	1.3
319.04544	4.9
320.04938	0.7
333.02460	0.7
335.07721	1.5
337.01926	0.8
345.02582	1.1
349.02109	1.0
361.05530	1.0
363.03558	3.0
379.06714	3.4
405.04733	0.9
407.02646	14.0
408.02985	1.9
423.05743	10.8
431.02539	0.6
449.03665	1.2
467.04703	17.3
468.05170	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	466.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62077	0.9
61.98834	100.0
69.84769	4.5
81.03457	1.4
95.00375	0.9
95.01419	1.6
98.19920	0.9
116.92852	1.0
122.03748	1.2
123.00876	1.1
124.82677	0.8
125.02406	3.3
143.83037	1.0
151.00395	1.2
152.01151	1.1
166.02725	2.0
179.03493	1.9
205.16121	1.3
235.09798	1.3
247.16983	3.6
248.06963	1.1
307.99911	0.9
368.00848	0.9
403.24911	42.7
404.25345	5.5
421.31042	1.9
429.14023	1.1
466.32278	1.0
467.31512	3.3
475.81271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21531	4.4
55.91825	4.5
57.03452	13.2
59.42921	4.3
61.98836	89.7
69.54115	24.7
69.54523	10.4
83.01379	5.2
125.02459	100.0
166.23889	6.1
173.98267	5.2
226.51460	6.0
284.03455	4.9
332.62509	5.8
340.68976	5.5
354.66010	5.1
378.27341	14.3
379.17563	5.0
403.24976	25.8
411.25903	5.7
423.25607	5.7
485.55600	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	466.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88182	1.8
53.26388	1.7
61.58165	1.7
61.98833	100.0
70.11060	6.1
95.85989	2.0
141.34370	1.9
160.96365	2.0
172.25336	2.3
259.04477	2.1
347.22858	2.1
359.29584	4.9
403.28503	19.1
404.28778	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	466.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21337	1.7
61.98837	100.0
69.48756	13.6
74.02337	2.1
81.57059	1.9
83.44571	2.1
83.71462	1.8
91.52541	1.8
98.19867	2.4
143.39067	1.9
153.05548	5.4
163.11751	1.8
256.83905	2.5
287.34235	2.3
340.86816	1.9
403.24930	25.6
404.25269	5.5
418.09729	2.2
466.29129	6.5
467.31357	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	466.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28640	1.2
61.98835	100.0
69.48846	10.2
77.76155	1.5
78.30526	1.2
81.03469	3.2
82.49438	1.4
97.94171	1.5
122.03715	1.9
123.81207	1.4
125.02464	4.2
185.89549	1.6
235.25453	1.4
287.20218	5.5
357.33511	1.5
372.49979	1.6
398.98080	1.5
403.24899	56.1
404.25244	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	466.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06821	3.5
53.58469	3.5
57.03456	15.6
59.01378	4.6
60.99316	5.6
61.98839	100.0
65.00339	11.6
66.37465	3.8
69.71146	19.3
79.89497	3.3
81.03466	6.5
83.01405	9.9
88.98817	37.5
95.05013	3.8
101.31362	3.5
108.37595	3.5
120.66329	3.9
123.04518	5.5
123.08221	4.1
125.02467	94.7
125.03393	4.7
126.02825	3.8
126.29327	3.9
128.55742	3.6
137.75781	3.7
153.05641	8.9
161.02449	4.0
167.03514	5.7
167.07178	13.2
229.01636	4.5
231.02896	3.8
262.89053	3.5
274.01218	5.2
275.01910	12.4
287.20209	10.7
300.99939	10.6
317.85303	4.1
337.53510	3.8
385.20474	5.4
403.24905	81.0
403.29367	3.6
404.25360	12.4
423.32550	6.4
431.24585	9.8
466.02597	6.6
466.28818	16.1
467.31964	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01372	0.4
61.98833	100.0
71.59454	0.7
82.36572	0.5
85.02966	1.1
87.00899	0.4
99.92615	0.7
116.92867	6.1
117.92873	3.1
124.01697	0.8
124.08649	0.4
125.02464	1.2
139.04045	2.7
153.05550	0.5
165.01965	0.6
239.69260	0.4
273.00848	0.4
275.01978	0.8
300.99982	1.7
329.17709	0.6
341.07730	0.4
347.18802	0.6
385.20163	0.8
386.20361	0.4
403.21289	7.0
404.22058	1.0
466.02817	0.7
466.29089	1.1
466.52930	0.7
467.03619	0.4
467.29526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17585	0.4
61.98837	100.0
72.81574	0.5
79.45694	0.5
79.52895	0.5
87.14926	0.5
113.20835	0.5
135.84637	0.5
139.04053	2.3
156.60625	0.5
166.96092	0.6
223.58426	0.5
231.56245	0.5
279.32776	0.5
385.20471	1.4
400.31860	0.7
403.21207	6.1
404.21640	1.1
466.03073	0.6
467.33606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88940	0.5
55.41687	0.5
56.48879	0.4
59.01392	0.6
61.98835	100.0
69.66896	1.1
69.67310	2.0
72.65508	0.5
85.02941	0.5
88.65755	0.5
89.73522	0.4
125.02478	1.3
139.04048	1.7
140.72678	0.5
159.64195	0.5
165.01982	1.1
169.01480	0.7
206.13878	0.5
229.01642	0.7
268.97101	0.6
273.00391	0.5
275.02103	1.2
300.99963	2.5
313.01614	0.5
395.00327	0.6
403.21182	3.1
404.17642	0.6
423.00012	0.7
466.02765	1.2
466.28580	0.9
467.03336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03205	1.0
59.01381	2.7
61.98835	100.0
66.32253	1.0
70.02034	5.1
71.01400	1.3
71.05030	2.7
78.95898	1.2
81.94762	1.0
83.05054	1.3
83.80799	1.2
85.02946	1.4
95.05032	2.3
97.02953	1.2
109.02969	1.7
115.43981	1.1
123.00901	1.4
125.02444	4.0
127.03954	1.4
138.03250	1.0
139.04022	21.7
140.04393	5.2
153.05516	1.1
165.01973	2.0
166.02733	6.1
169.01494	1.4
180.04276	1.7
193.05048	2.8
221.32690	1.1
222.08850	2.2
229.01259	1.3
245.01071	1.3
263.63492	1.3
275.01895	1.4
276.13831	1.8
301.00003	5.8
335.87442	1.0
403.21252	51.6
404.21155	6.8
404.26089	1.9
420.17429	1.2
422.26559	1.5
422.99924	2.0
466.24362	10.8
467.25922	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	466.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21319	0.6
60.26778	0.6
61.98835	100.0
70.03721	1.6
70.04125	2.2
70.29346	0.6
93.03513	0.7
97.04743	0.6
98.19879	1.4
125.02472	2.1
136.99754	0.7
139.04041	1.9
165.01886	0.9
169.01505	0.9
177.07150	0.7
180.06776	0.6
208.45766	0.8
210.52455	0.8
224.23187	0.7
275.02106	1.7
301.00021	2.4
336.60959	0.7
403.21786	4.1
457.01581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
61.98837	100.0
62.61511	0.9
69.48012	5.1
69.48422	1.5
69.97269	0.9
71.05032	1.9
82.06120	0.9
95.05037	3.3
95.59998	0.9
97.02969	1.6
98.85670	0.8
125.02460	1.3
139.04021	16.0
149.30765	0.9
153.05548	1.0
162.81789	0.9
178.48944	0.9
180.04073	1.1
214.69582	0.9
275.01993	1.5
285.18762	1.8
300.99927	2.2
329.17606	1.2
385.20258	1.9
403.21246	45.1
404.21536	8.1
457.02353	1.1
466.02362	1.9
467.29678	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	466.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54515	1.0
57.03434	1.0
59.01386	4.5
60.90280	0.8
61.98837	10.1
69.30616	3.3
69.31039	4.7
71.01390	3.6
73.02962	1.6
83.01405	1.8
85.02966	1.8
95.01385	2.5
96.96030	3.6
101.02461	3.8
107.01410	3.7
109.03004	1.4
109.38289	0.9
110.00189	0.8
111.00873	2.9
113.02528	1.3
117.05576	1.2
123.00892	12.3
123.04533	1.5
124.01689	2.4
125.01583	0.9
125.02451	19.3
126.02793	1.6
127.00358	1.1
135.03474	0.8
135.04503	1.0
139.00377	4.2
140.01173	2.7
141.01878	1.3
142.53937	0.9
145.02966	1.3
147.04517	0.9
149.02371	1.0
149.47314	1.0
151.00369	11.8
153.01962	2.5
153.05571	2.2
160.14250	1.0
163.03963	1.1
166.99910	1.2
168.00684	4.2
169.01421	27.6
173.02440	2.2
177.01930	1.6
179.81110	0.9
185.02377	1.3
190.02687	1.2
191.03452	1.2
193.01434	2.1
201.01851	1.9
203.03506	1.3
216.00568	0.9
217.01369	2.0
229.01379	3.4
231.03004	1.1
241.05653	1.0
245.00871	2.0
247.02451	1.5
248.03018	2.2
257.00989	2.6
271.04556	1.2
273.00421	3.3
274.00906	3.9
275.01978	8.3
286.04489	1.5
299.99268	1.5
300.99850	17.3
302.00253	1.2
303.00925	1.1
304.05438	1.3
313.05856	5.1
314.00626	1.1
391.03125	6.5
391.53552	1.1
403.12454	100.0
404.12747	10.3
407.98334	1.2
422.04523	1.1
422.99664	1.7
435.02859	1.4
466.02844	5.7
466.53177	2.1
467.02960	2.6
467.12878	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	465.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50698	2.9
57.03452	8.7
59.01372	7.2
61.98843	18.3
70.35928	6.0
71.05025	5.6
79.01892	5.7
81.03461	9.0
83.01404	2.8
85.02956	73.2
87.00871	4.2
95.01383	2.7
95.05022	8.6
99.04513	8.5
111.00883	4.6
121.02961	3.3
122.03655	3.3
123.04537	40.4
124.01637	4.4
125.02450	37.6
135.04501	3.4
136.05217	3.2
138.03206	8.2
139.04019	10.1
141.05559	7.5
151.00401	9.8
167.03490	11.8
170.02100	3.0
179.03534	3.7
192.01399	2.7
207.13930	8.0
219.17499	10.4
245.19080	3.6
247.17024	46.4
248.17348	6.5
261.18552	8.6
289.18018	21.2
291.16074	8.6
321.24219	8.3
347.26013	3.0
361.27490	5.6
365.27063	17.5
366.27011	3.6
391.24866	3.9
403.28729	40.0
404.28952	5.2
405.26486	100.0
406.26822	14.6
421.29684	7.4
447.27539	29.2
448.28036	9.0
465.28848	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	466.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80313	0.3
54.15958	0.4
59.01373	1.7
59.34251	0.3
61.93007	0.3
61.98826	0.9
69.03469	0.4
71.01396	3.4
71.60968	0.5
73.02950	0.4
79.01880	0.6
81.03487	0.5
83.01420	0.7
85.02966	1.0
87.00874	0.4
89.02460	0.4
95.01376	0.9
96.96023	1.3
97.02961	0.5
99.00873	0.5
101.02458	1.5
107.01404	5.1
111.00885	1.1
113.02465	1.0
114.49149	0.3
121.45611	0.4
122.03758	12.2
123.00896	5.8
125.02454	33.5
126.02773	1.4
127.00393	0.3
130.42505	0.3
136.04056	0.4
136.98808	0.4
139.00395	1.8
140.01163	1.2
141.01981	0.8
145.03012	0.5
147.24109	0.3
151.00368	5.1
151.03958	0.4
152.03543	100.0
153.01929	0.8
153.03908	4.1
154.78766	0.3
163.03995	0.4
165.01941	0.4
168.00656	1.5
169.01433	45.6
170.01746	2.0
191.05634	0.5
207.02989	0.4
211.02550	1.7
223.56268	0.4
241.03539	1.6
253.03625	0.5
271.04449	0.6
300.99857	0.4
304.05377	0.5
313.05658	65.4
314.05975	5.3
462.11829	0.3
466.09912	38.1
467.10196	5.0
467.15823	1.1
467.22931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2858
Annotation	(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
Peak:m/z	Relative Intensity
57.03444	3.0
59.01387	3.5
61.98832	15.1
71.01376	0.7
71.05018	1.4
73.29897	0.8
78.95913	3.9
79.01904	2.3
81.03474	1.0
83.05045	1.4
85.02968	2.5
85.06597	8.3
95.05038	1.8
97.02964	2.5
97.06622	1.1
99.08170	3.4
104.66215	0.7
107.05133	0.8
107.87467	0.8
109.06586	9.2
111.04532	5.8
122.76540	0.8
125.02447	2.6
125.09794	0.8
126.04745	0.8
127.11336	0.8
135.04514	2.4
139.04013	4.0
139.11314	6.1
151.04089	1.7
151.07608	1.0
152.01108	1.0
152.99577	3.1
153.05583	71.3
154.05956	3.6
165.01910	1.3
179.03534	3.0
180.04324	1.5
190.10828	0.7
193.05135	1.0
263.16528	2.2
275.01990	1.8
299.99484	0.9
300.99854	1.9
301.99988	1.3
303.19617	1.2
307.15649	3.3
307.24597	0.8
403.21094	5.8
457.02496	1.1
465.28616	100.0
466.03143	1.3
466.28842	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	465.2858
Annotation	(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
Peak:m/z	Relative Intensity
55.01891	0.8
57.03447	1.4
59.01382	1.5
60.47346	0.5
61.98833	12.5
62.96410	0.9
63.46152	0.6
68.79013	0.4
69.03458	0.5
71.05022	1.1
71.61636	0.5
73.02943	1.2
73.93629	0.5
78.95914	1.5
79.01896	1.7
81.03476	0.9
83.05020	0.6
85.02972	2.6
85.06591	10.1
87.00843	0.6
95.05039	0.6
97.02960	2.2
97.06613	0.6
99.04463	0.6
99.08171	2.5
107.05056	0.9
107.24367	0.4
109.06593	9.1
111.04529	5.8
111.08167	0.6
120.65072	0.5
123.04520	0.8
125.02442	0.9
125.09747	0.7
127.11281	1.2
129.09206	1.6
135.04573	0.9
135.08182	0.6
138.03232	0.5
139.04024	2.2
139.11287	1.1
151.04097	0.7
153.05580	92.2
154.05902	4.2
179.03514	2.0
194.05756	0.7
197.00462	2.0
207.06636	0.6
235.16985	0.7
275.16748	0.5
291.19617	0.8
293.17514	0.8
300.99945	1.0
321.17172	0.8
335.18100	0.5
365.27124	1.0
403.21277	4.3
405.26480	0.8
465.28525	100.0
466.02621	0.7
466.28900	14.7
484.26920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2857
Annotation	(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
Peak:m/z	Relative Intensity
57.03450	8.5
59.01386	0.6
61.98835	2.6
63.10445	0.2
65.00343	0.6
69.03473	0.2
71.60712	0.3
75.69054	0.2
78.52275	0.2
81.03465	2.1
83.01391	7.5
85.02953	0.5
95.05073	0.3
95.52831	0.2
105.03490	0.3
107.01433	0.6
121.02899	0.5
123.04520	1.4
125.02457	100.0
126.02797	3.6
129.51707	0.2
139.04048	0.3
141.12878	0.4
149.02446	1.3
151.00339	0.5
153.05673	0.3
165.05704	0.2
167.03511	1.9
169.12308	0.3
192.50873	0.2
200.07704	0.3
277.25400	0.5
279.22946	0.2
295.26355	1.0
297.24271	0.5
300.99762	0.6
339.25281	0.7
339.46268	0.2
384.99072	0.2
402.23825	1.1
419.29514	0.4
447.27435	1.7
448.28268	0.3
465.28452	9.5
466.02206	0.3
466.28894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
57.08565	0.4
59.01369	1.0
69.03453	1.1
70.71280	0.9
71.01392	1.1
71.05014	8.1
73.02955	1.8
76.79909	0.5
78.95916	2.5
79.01895	0.6
81.03445	0.5
83.05040	0.6
85.02943	3.7
93.03429	0.6
95.01386	0.5
95.05028	9.3
97.02950	5.2
97.06596	0.8
97.51832	0.5
109.02959	1.0
110.38170	0.4
121.02924	0.9
124.01758	0.5
125.02431	1.9
137.02460	1.0
138.03230	1.7
139.04018	70.9
140.04372	2.3
152.99600	4.1
153.05661	1.0
165.01888	2.9
166.02715	7.4
179.03564	1.2
180.04285	4.0
193.05075	7.0
194.05812	0.8
198.01689	0.9
205.12407	0.5
207.06650	0.7
219.17534	1.2
221.08014	0.6
235.09834	0.8
245.79037	0.5
249.11343	1.7
250.12035	0.5
261.18588	3.0
304.16733	0.9
305.17554	2.7
316.05194	0.4
333.17044	0.7
342.74518	0.6
465.24942	100.0
466.25232	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1055
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
55.01876	1.1
57.03461	1.5
59.01384	14.8
61.98840	3.4
67.01893	1.4
69.60004	4.7
69.60434	3.7
71.01394	13.9
72.99324	1.2
73.02954	2.2
79.01910	1.8
83.01393	2.9
85.02979	5.5
89.02451	9.5
95.01411	4.4
97.02977	2.0
99.92583	2.0
101.02436	7.0
102.91354	1.1
102.94425	1.1
107.01400	13.6
107.05040	24.5
107.05706	2.1
109.02956	8.1
111.00922	5.2
113.02501	5.5
115.91401	1.3
115.92128	2.2
117.05628	1.6
119.03548	3.4
120.99722	1.0
121.03002	1.4
122.03763	2.5
123.00894	25.2
123.04569	3.3
124.01704	2.2
125.02455	69.8
126.02792	1.8
127.00370	1.1
136.98854	1.9
137.02477	1.2
139.00375	10.1
139.01288	1.2
140.01207	5.3
140.66541	1.0
141.01965	1.9
149.09775	5.1
150.03352	1.1
151.00383	20.7
151.04097	3.5
152.00571	1.3
153.01949	9.9
160.04102	5.6
167.10822	8.3
168.00673	5.8
169.01437	88.5
170.01845	3.4
179.05731	3.8
199.61699	1.4
211.02614	2.1
261.38245	1.5
297.06259	2.4
299.99048	6.9
300.99707	11.5
301.99759	19.5
303.00394	9.6
308.50095	1.2
313.05679	19.8
405.21246	6.0
421.05609	2.1
421.11411	66.7
422.11768	7.1
447.09381	12.0
465.05707	10.3
465.10754	100.0
466.10849	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	465.1044
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
57.03447	1.0
58.82267	0.7
59.01382	10.4
60.01708	0.8
61.98846	2.8
65.00336	0.8
66.71766	0.7
69.03483	1.3
69.31732	0.7
69.35661	7.1
71.01387	12.1
71.01769	1.1
72.99317	0.8
73.02962	1.9
79.01925	0.9
81.03478	1.3
83.01416	2.3
85.02962	5.4
87.00898	2.1
89.02451	3.7
91.01910	3.2
93.03460	6.0
95.01398	2.6
96.96006	3.6
97.02975	2.0
99.00893	1.5
101.02456	5.6
103.04091	0.9
107.01397	15.8
108.02240	0.9
109.02976	1.8
111.00912	2.7
111.02002	0.6
113.02454	4.2
117.03600	0.8
117.05560	2.0
119.01338	1.3
119.03531	1.2
121.02958	5.1
123.00896	15.5
123.04527	2.5
124.01681	2.1
125.02454	81.0
125.09682	0.7
126.02783	2.4
127.00351	1.0
133.02925	1.4
135.04552	1.3
136.98880	1.7
137.02454	10.7
139.00420	6.5
139.04015	3.6
140.01189	4.4
141.01956	2.8
149.02429	1.4
150.00253	0.7
151.00371	11.5
151.04016	30.9
152.00626	0.7
152.04434	1.0
153.01941	1.0
155.10843	0.8
161.02448	2.9
161.04597	2.1
162.02928	0.9
163.04025	0.9
165.05638	0.9
166.99918	1.0
167.03542	1.8
168.00664	4.0
169.01436	100.0
170.01778	4.6
177.01932	1.7
179.03551	1.7
179.07074	0.8
181.01523	1.2
183.02968	2.8
185.11833	0.9
189.01912	4.5
190.02623	0.9
191.03529	1.5
193.01483	1.2
193.05107	0.8
198.69572	0.8
203.03326	0.8
211.02487	3.1
211.13377	1.2
217.01418	2.8
219.03024	1.2
223.02365	1.3
241.03609	2.2
245.00885	0.9
248.79948	0.8
248.82481	0.7
253.03519	1.4
272.02829	0.9
273.00427	1.1
273.03058	1.1
275.01974	2.3
300.99780	1.8
301.03302	2.0
302.00125	1.3
302.03513	2.5
303.04239	2.3
305.11215	0.7
313.05664	54.4
314.06033	3.4
327.07053	1.4
333.19281	1.3
341.06674	7.6
433.07895	1.0
442.52689	0.9
447.08389	1.2
457.02048	0.8
465.10324	98.2
465.21872	2.5
466.10699	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	465.1768
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
50.21931	0.4
52.44654	0.4
57.03435	0.6
59.01384	5.8
61.07845	0.5
61.98831	1.7
62.48383	0.4
69.56486	0.8
69.56891	2.5
71.01386	4.8
72.99300	0.6
73.02953	1.3
75.00848	0.6
76.19176	0.3
83.01414	0.6
85.02968	2.3
87.00875	1.0
89.02440	1.5
95.01362	0.5
96.96015	1.3
97.02937	0.4
99.00921	1.0
100.73689	0.4
101.02439	1.6
106.72633	0.4
109.02943	1.7
111.00873	0.8
111.02023	0.6
113.02444	1.3
123.00858	0.6
124.01654	2.1
125.02455	2.8
135.04507	0.4
136.05301	0.4
137.02443	4.5
138.03235	3.9
139.00342	0.5
139.03770	0.6
140.01201	0.6
145.02946	0.4
149.02361	0.7
150.03192	1.5
151.04008	1.6
153.01968	0.4
153.05566	2.4
159.04500	0.5
161.02472	0.6
161.04541	0.5
161.06003	0.5
163.07634	1.0
166.02689	0.5
168.00626	0.9
169.01396	1.0
173.06090	0.8
175.03987	1.7
176.01207	2.3
176.04797	1.2
177.01923	2.4
177.04039	0.7
177.05496	0.8
178.06299	0.9
178.94336	0.4
179.03456	0.9
189.01973	0.9
189.05557	2.0
190.02640	0.5
190.06357	1.0
191.03554	0.5
191.07086	2.7
192.04251	0.5
192.07892	1.0
193.01395	0.7
203.03519	8.1
204.04306	5.1
205.05009	1.3
205.06795	0.4
209.40857	0.4
217.05040	4.3
217.08502	0.6
218.03723	0.9
218.05849	18.4
219.06288	1.9
231.06578	0.8
235.06126	1.0
241.08855	0.5
250.04593	0.4
257.11911	0.5
259.13458	1.2
261.14905	1.9
277.14453	2.3
285.11380	1.1
287.12823	3.0
289.14365	0.5
300.99933	0.5
303.12463	1.7
305.13959	1.6
321.13373	0.8
377.19293	0.5
426.94107	0.4
465.17572	100.0
466.17975	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00603	0.7
59.01384	100.0
60.01722	1.0
60.97081	0.4
61.98844	2.2
69.31401	4.5
71.01392	11.4
72.99312	0.9
73.02974	0.7
78.95920	1.1
83.01410	0.8
83.65233	0.4
85.02962	1.9
87.00894	0.8
89.02453	18.7
90.02818	0.5
95.01403	1.8
96.96037	0.9
96.96983	1.0
98.19830	0.8
101.02463	7.5
107.01460	0.5
111.00880	0.8
113.02463	4.9
114.02813	0.6
117.03490	0.6
119.03512	9.1
120.03819	0.5
123.00909	1.7
125.02454	5.3
131.03537	1.3
135.04562	0.5
137.02483	0.4
139.00311	0.5
140.01178	0.5
143.03529	1.7
145.03026	0.9
147.04568	1.0
149.02501	0.6
149.04602	0.9
151.00407	1.4
153.01958	0.5
159.03127	0.8
159.04546	0.9
161.02525	1.2
161.04532	2.9
164.01147	0.5
166.99948	0.7
167.10794	0.6
169.01462	3.3
173.02501	1.6
175.04071	0.9
177.01985	1.4
179.00002	0.6
179.03703	0.4
179.03967	0.6
179.05617	5.9
185.02402	0.9
189.01868	0.9
191.03503	0.8
193.01384	0.5
201.01978	0.9
203.03563	1.0
216.00816	0.5
217.01501	1.2
219.03049	0.8
229.01486	1.9
230.02184	0.6
231.03021	1.1
243.03107	0.6
245.00931	1.4
247.02583	1.6
248.03223	0.8
249.04135	1.4
257.01044	1.7
258.01724	0.8
269.00943	0.5
273.00491	2.2
274.01187	1.0
275.02026	4.8
285.00525	0.7
285.04080	1.5
299.99127	1.2
300.99896	9.5
302.00488	0.8
303.05179	0.9
312.99933	0.7
314.00647	0.5
316.99496	1.7
351.01321	0.5
403.12552	3.4
405.21356	10.6
406.21753	1.4
421.03809	0.9
426.02405	0.8
437.01828	0.5
447.00882	0.6
457.02402	1.3
465.00925	2.8
465.10965	0.6
465.23666	1.5
466.02896	4.4
467.02722	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	465.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34728	0.4
55.01893	0.7
57.03468	1.9
59.01377	0.9
69.03465	0.9
70.17264	1.5
71.05026	9.0
71.05404	0.8
73.02959	1.2
78.95916	0.4
79.01920	0.6
81.03474	0.7
81.55025	0.4
83.01389	0.6
83.05044	0.5
84.02194	0.5
85.02960	5.9
91.78260	0.3
93.03513	0.4
95.01407	0.4
95.05047	6.1
97.02963	3.9
99.04544	0.4
109.02954	1.5
121.03009	0.8
121.67899	0.4
124.01658	1.5
125.02524	1.9
129.66397	0.4
135.04596	0.4
137.02454	1.8
138.03255	2.6
138.43462	0.4
139.04024	81.6
140.04352	3.1
149.06030	0.5
152.01143	0.9
152.99559	0.8
153.05611	0.4
163.07632	0.3
165.01935	4.2
166.02731	11.3
167.03119	0.6
179.03532	1.0
180.04303	5.5
193.05063	8.7
194.05588	0.8
198.01724	1.2
205.12398	0.7
207.06659	1.7
207.13989	0.5
212.03247	0.5
219.17581	0.9
221.08211	0.7
226.04739	0.6
232.62741	0.4
235.09846	1.9
245.15485	0.4
249.11372	3.0
250.12027	0.7
254.87202	0.4
261.18616	3.4
289.14569	0.5
303.15942	0.4
304.16721	1.1
305.17554	2.4
308.68634	0.4
333.17212	0.6
382.72287	0.5
391.21335	0.5
465.24939	100.0
466.25308	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	465.1041
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
57.03445	6.7
58.16248	1.0
59.01384	20.8
61.98824	2.1
63.96250	2.3
65.00322	2.1
68.39641	0.9
69.03446	1.2
71.01383	10.4
71.04951	0.9
71.81452	0.9
72.99310	1.6
73.02907	1.1
74.99110	1.8
83.01393	5.1
84.12886	0.9
85.02951	3.1
87.00854	1.0
89.02438	4.6
95.01413	5.5
96.95993	1.8
98.20644	2.1
101.02429	4.5
107.01413	9.1
107.05032	22.2
109.02943	3.6
111.00887	3.1
113.02465	2.5
117.05552	2.4
119.03494	1.7
120.99648	1.5
121.02937	1.7
122.41547	1.0
123.00871	13.0
123.04510	3.0
124.01730	6.0
125.02457	100.0
126.02742	4.5
133.02888	1.1
135.04491	1.2
137.02438	3.2
139.00406	7.1
139.03993	1.8
140.01125	2.2
145.02930	1.8
147.05663	0.9
149.02417	3.3
150.03220	1.9
151.00377	15.0
151.04030	6.8
152.01141	9.7
153.01927	5.3
161.02487	2.0
161.04573	3.1
165.05525	1.1
168.00630	4.8
169.01450	39.1
170.01813	1.3
173.05963	1.3
174.03194	1.1
175.03993	3.9
176.01100	2.2
177.01872	2.5
178.99843	6.8
181.01350	2.2
188.04747	1.7
189.01877	1.3
189.05539	3.4
191.03450	1.4
193.05017	1.3
199.04060	1.3
203.03542	1.5
211.02470	12.7
212.02849	1.2
216.04201	1.4
217.05052	5.9
219.02911	1.5
229.01410	2.5
231.06610	2.4
255.10634	1.5
257.00894	1.8
259.06085	8.1
271.04611	19.5
274.04715	1.5
275.02200	4.9
275.05325	5.6
285.04025	18.3
286.04330	1.5
299.99081	1.3
300.99957	8.9
303.05014	7.2
313.05612	9.3
313.09229	3.9
325.11218	1.3
330.41434	1.1
331.06662	3.1
405.21060	1.2
421.11456	38.2
422.11621	3.6
437.10922	14.0
447.09268	5.9
448.09976	1.3
457.01974	1.7
465.10248	78.7
466.02698	10.0
466.10532	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	464.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
67.55202	1.3
68.18645	1.2
69.31838	5.0
69.32260	5.6
71.05017	2.8
78.99118	1.3
80.63802	1.1
81.03455	2.0
125.02450	5.6
135.25497	1.2
166.09314	1.2
181.17076	1.2
208.15309	1.5
302.81497	1.2
349.94934	1.3
357.24353	1.9
401.23364	49.5
402.23590	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	464.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
66.48579	1.2
69.63912	8.0
78.49471	1.1
125.02465	4.5
142.13242	1.1
152.01105	1.6
165.10420	1.3
166.02800	1.5
191.80011	1.2
289.14520	1.2
291.12396	1.6
360.11035	1.6
401.23312	57.4
402.23685	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	464.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19185	1.8
61.98835	100.0
64.50518	1.5
71.05023	1.6
93.44923	1.6
98.19919	3.8
100.65301	1.6
107.66084	1.6
112.23923	1.6
126.17449	1.6
141.94664	1.6
153.05611	3.8
271.22043	1.7
300.66315	1.7
300.99777	1.9
331.44107	1.7
401.23251	15.8
402.23599	3.0
446.16269	1.8
465.31958	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	464.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87981	1.2
61.98835	100.0
69.58889	8.2
78.59306	1.4
138.05690	1.4
157.12851	1.4
357.27722	3.3
369.93042	1.3
401.26965	19.5
402.27188	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	464.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98423	0.9
60.08063	1.0
61.98837	100.0
71.41190	1.2
72.00921	0.9
96.96013	1.2
143.50989	1.0
377.26996	4.0
425.50037	1.1
465.29819	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	464.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98837	100.0
69.03465	2.1
69.48123	13.1
82.70003	1.6
85.02946	4.9
85.06596	2.9
95.05061	2.4
97.02949	2.5
109.06583	2.2
111.04503	3.2
121.02963	2.4
124.01622	1.9
124.05302	5.7
125.02464	3.5
137.02438	2.2
139.04042	24.2
139.38673	1.7
140.04370	2.4
142.49158	1.6
153.05588	19.4
154.05925	4.2
165.01921	4.8
166.02710	8.2
175.46172	1.8
180.04327	5.4
193.05006	5.0
194.05774	3.5
199.23329	2.2
207.06686	2.6
221.63014	1.9
276.13708	2.6
299.98846	2.0
300.99728	3.4
302.00098	2.3
302.03870	2.3
371.33951	2.0
401.19714	61.2
402.20154	9.4
463.27176	2.1
464.05298	3.2
464.27615	44.5
465.27844	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	464.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.44062	2.0
69.44469	0.7
71.08317	0.3
77.80552	0.3
85.02972	0.8
85.06618	0.6
87.06933	0.4
103.96602	0.4
109.06583	0.6
111.04482	0.7
111.29546	0.4
124.01672	0.5
124.05324	0.5
139.04008	3.2
145.07288	0.4
146.44989	0.3
153.05582	5.1
153.06728	0.5
154.05949	1.4
165.01964	0.8
167.61983	0.4
180.03966	0.4
207.70374	0.4
209.11942	0.7
210.12148	0.6
216.53641	0.4
233.65257	0.5
258.02026	0.4
272.16394	0.4
286.15402	0.5
401.19766	3.2
427.47345	0.6
464.27518	5.0
464.34116	0.6
465.28348	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3432
Annotation	3,24-Diepicastasterone
Peak:m/z	Relative Intensity
57.03443	0.5
57.27105	0.3
59.01383	0.4
60.37619	0.2
61.98838	7.7
62.05723	0.3
64.40649	0.3
65.27032	0.3
70.09801	0.8
70.10211	0.5
85.02953	0.3
98.20525	0.4
123.04543	0.3
125.02461	0.6
135.04504	0.4
137.06097	20.9
138.06419	0.9
141.05490	0.4
146.10571	0.2
151.00481	0.3
152.04785	0.7
165.05577	100.0
166.05911	5.3
224.14384	0.3
243.02763	0.3
255.02992	0.3
271.02414	0.7
299.99142	1.6
300.02792	0.9
300.99878	1.7
301.03168	0.4
303.15967	0.3
378.23862	0.3
400.22171	0.8
401.23288	4.0
419.32004	0.3
463.05307	1.2
463.27328	2.6
463.34351	41.0
464.28241	0.5
464.34653	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	463.3796
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
51.39507	0.3
54.57815	0.4
61.98837	2.4
69.64452	2.4
77.26545	0.4
98.20578	0.8
109.02991	0.5
111.04533	0.4
120.05799	2.8
122.03674	0.4
125.06095	3.9
135.08167	18.6
136.08453	0.6
137.06078	2.2
138.06880	0.4
151.07623	1.1
153.09225	1.1
165.05537	1.2
170.05820	2.0
179.07185	0.4
231.27199	0.4
247.65193	0.4
277.81705	0.4
325.45859	0.4
401.26898	0.4
403.35809	2.3
405.33698	0.6
421.36908	26.5
422.37183	4.6
463.37961	100.0
464.38275	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	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08218	0.3
57.03466	0.5
59.01384	23.8
61.01838	0.3
61.98835	100.0
68.09473	0.2
69.44148	2.3
71.01399	3.2
72.99303	0.3
76.63134	0.3
80.50170	0.3
83.01427	0.3
85.02983	0.8
89.02448	3.4
90.02799	0.3
95.01406	0.3
95.18165	0.3
96.96017	2.0
101.02433	1.9
107.01414	0.4
109.02947	0.4
113.02454	1.3
119.03526	1.6
121.02998	0.3
121.57009	0.3
123.00921	0.8
125.02445	5.2
151.00414	1.1
153.01967	0.9
161.02504	0.3
161.04582	0.5
163.00327	0.3
167.10805	0.8
167.62582	0.3
168.00636	0.3
169.01436	2.9
175.04048	0.5
177.02014	0.9
178.99826	0.5
179.05684	1.1
201.41136	0.3
203.03554	0.3
211.02432	0.4
233.10347	0.5
241.05212	0.4
255.82359	0.3
273.00198	0.4
275.05688	0.4
279.85880	0.3
285.04080	3.6
299.99271	1.2
300.99631	3.7
301.02322	0.3
302.00122	2.4
303.01907	0.5
303.05136	3.3
313.05923	2.6
401.11130	0.4
404.19983	0.9
405.21542	1.2
413.97241	0.3
421.11456	1.6
429.10568	0.3
464.05078	2.9
465.10672	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
60.01721	0.4
61.98831	100.0
62.98526	0.3
69.96423	1.0
71.01386	1.7
75.60843	0.3
85.02990	0.4
87.00895	0.6
89.02459	0.8
96.96043	1.0
97.02930	0.3
98.20564	0.4
101.02438	0.8
109.03050	0.3
111.00909	0.4
113.02478	0.7
117.05592	0.5
119.03489	0.6
123.00880	1.4
125.02449	1.9
133.06934	1.3
134.07259	0.4
139.00403	0.8
146.08218	0.4
151.00389	0.6
151.04016	0.3
161.02518	0.4
161.04616	0.5
166.99933	0.4
168.00674	0.8
169.01421	1.9
213.11409	0.2
217.00929	0.3
229.01506	0.3
229.47208	0.3
239.73123	0.3
246.01247	0.3
259.02554	0.3
267.49786	0.3
271.95544	0.3
273.00568	0.3
275.01935	0.4
287.02032	0.7
299.99155	1.5
300.99643	3.2
302.00137	2.1
303.01108	0.4
303.08850	0.8
313.06061	0.4
317.02847	0.3
331.00882	0.9
332.01553	2.2
333.02554	0.4
349.93188	0.3
358.68930	0.3
373.07773	0.5
377.04773	0.3
387.09433	0.9
401.10751	0.3
404.19589	0.5
421.11575	1.1
429.10364	0.6
464.05615	2.5
464.10657	1.0
465.06314	1.3
465.10641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3069
Annotation	Ponasterone A
Peak:m/z	Relative Intensity
52.65461	0.4
55.01890	0.5
57.03447	1.4
58.00601	1.3
58.40793	0.5
59.01384	1.1
61.98824	0.8
71.05039	0.7
71.60368	0.4
71.60755	0.9
73.44431	0.4
79.01899	0.9
80.02682	0.6
81.03432	0.9
85.02963	3.0
86.03323	0.7
87.00882	0.9
87.79066	0.5
95.05095	0.4
97.02946	0.5
97.06602	1.1
99.08167	15.6
104.82774	0.5
105.90829	0.5
106.37010	0.5
107.04987	0.5
109.02948	0.7
111.04503	0.8
111.08159	0.6
121.06618	0.8
123.04514	0.7
123.08170	13.1
124.08492	0.6
124.88092	0.5
125.02482	1.4
127.07644	1.7
129.09222	9.6
135.04605	0.5
139.03998	0.6
141.01939	0.6
149.06108	1.7
151.00485	0.6
152.04784	0.9
154.77638	0.5
165.05579	0.7
167.07152	36.5
168.07500	1.7
179.03532	0.6
193.05086	1.3
196.68588	0.5
202.02475	0.5
205.08766	0.5
219.17516	1.3
221.08273	1.0
247.20764	0.5
289.21744	5.4
290.22086	1.0
299.99075	1.7
300.02374	0.8
300.99863	1.9
301.03180	0.6
301.21576	0.6
333.20694	1.9
373.23849	1.5
374.24182	1.6
375.24490	8.6
376.24832	0.7
401.30850	0.5
403.24319	2.1
427.25027	0.6
445.24826	2.4
463.05054	1.4
463.30679	100.0
464.30994	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	463.2705
Annotation	2alpha,6beta,7alpha-Triacetoxylabda-8,13E-dien-15-ol
Peak:m/z	Relative Intensity
55.01877	1.1
57.03457	4.6
58.04065	0.9
59.01384	7.4
61.44646	0.9
61.77463	0.8
69.03476	2.5
71.01402	1.9
71.05043	2.6
73.02966	4.1
78.19753	0.8
78.95914	2.9
79.01901	1.6
81.03481	2.5
83.01413	2.7
85.02956	100.0
85.06602	1.2
86.03304	2.1
87.00880	30.2
93.62939	0.8
95.05048	2.3
97.02979	3.7
99.04521	4.7
101.02474	2.5
109.02977	1.2
109.06587	1.7
111.00879	8.7
111.04525	1.8
113.02501	1.7
115.04002	4.5
123.04515	6.3
124.01695	2.0
125.02454	12.2
137.02451	1.0
138.03279	3.0
139.04042	12.3
141.05719	0.9
143.03510	7.4
149.06017	0.9
151.00375	2.1
152.01109	0.8
152.99628	3.5
153.05592	12.0
154.05840	0.8
166.02765	2.0
167.03502	13.8
179.03488	2.5
185.04611	2.2
209.11792	1.4
223.17029	1.6
229.19844	1.3
249.18713	1.3
255.03194	1.4
271.02542	2.9
273.18762	1.1
277.21942	1.5
279.12616	1.0
295.23053	2.6
299.99298	7.7
300.02884	4.7
301.00018	6.3
301.03409	2.1
316.02283	1.0
319.23059	2.1
331.19162	1.3
356.69409	0.9
363.18506	1.8
363.25406	38.7
364.25955	5.3
375.25510	1.4
385.23959	1.6
403.24902	33.2
404.25500	4.8
445.26541	6.9
463.05435	4.3
463.27301	90.8
464.27771	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	463.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43182	3.4
57.03458	11.2
59.01386	5.1
61.98835	9.2
69.90387	15.2
69.90791	5.2
71.05032	8.7
79.01899	11.0
81.03481	7.9
85.02962	68.4
87.00883	4.8
95.05029	6.3
98.20596	3.7
99.04530	5.3
110.78957	3.2
112.90508	3.3
123.04548	39.3
124.01702	4.3
125.02469	29.9
132.96167	3.2
136.05309	3.6
138.03273	9.4
139.04039	4.9
141.05598	7.7
144.27899	3.0
151.00398	5.7
153.58061	3.1
165.05627	4.7
166.02765	3.5
167.03490	9.0
170.02109	3.7
172.00827	3.3
174.47885	2.9
179.03552	3.5
259.20850	4.5
286.89252	3.4
287.20267	27.1
300.24347	3.8
301.21777	3.4
319.22745	4.7
329.17773	4.0
329.21210	15.1
330.21451	3.5
331.19153	8.4
359.25937	8.7
363.25424	13.1
375.24969	4.5
391.46011	3.2
401.27142	29.1
402.27414	8.2
403.24908	100.0
404.25443	16.6
419.27942	8.2
445.26059	25.1
446.26572	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	463.2705
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
53.01049	0.3
55.01888	0.4
57.03451	2.6
59.01388	2.2
61.98826	1.9
69.03447	0.4
71.01387	0.7
71.05030	6.1
73.02946	0.6
81.03448	0.6
83.01381	0.7
83.05030	2.4
85.02954	3.8
87.00848	0.5
87.04517	4.0
95.01360	0.7
95.05032	0.7
97.02955	0.8
97.06593	0.7
98.20645	1.1
99.04522	3.8
107.05016	1.9
108.02178	1.0
109.02969	8.2
109.06581	1.2
111.04530	4.3
113.02456	1.3
122.03718	0.7
123.04517	5.3
124.01685	0.4
125.02453	1.6
125.06078	3.6
125.09742	0.4
127.04035	8.5
128.04323	0.4
135.00940	0.8
135.04520	0.5
136.05353	0.8
137.02472	0.9
137.96994	0.3
149.02499	0.7
149.06111	0.6
150.03311	0.4
151.04030	8.0
152.04764	1.3
153.02010	0.7
153.05618	2.7
155.03523	0.4
164.04802	1.5
165.05562	0.7
167.03479	1.7
169.05096	1.0
177.01970	0.7
177.05582	0.6
178.02740	3.1
178.06334	0.7
180.00568	0.4
181.05025	0.8
182.02222	0.6
191.03558	0.6
191.07082	0.5
192.04283	0.8
193.05099	0.5
196.03670	0.6
205.05019	0.9
223.16928	0.5
255.03180	0.4
261.11490	0.5
271.02551	0.9
275.20190	0.6
299.99115	3.3
300.02774	2.1
300.05948	0.4
300.99884	3.5
301.03418	1.0
302.00400	0.6
311.22415	0.5
313.21777	0.9
315.19513	0.8
319.19165	0.5
329.21008	0.5
357.20560	1.9
359.18497	0.4
363.25488	0.8
375.25391	0.9
385.19931	0.6
401.27228	1.8
402.23199	0.4
403.24933	6.0
404.25415	1.3
407.24460	5.9
408.24786	0.7
417.26578	2.5
418.27017	0.4
419.27991	1.4
421.25909	1.5
427.25037	0.7
445.25989	21.4
446.26303	3.2
448.24799	1.8
463.04697	2.4
463.26987	100.0
464.27316	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	463.2342
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
50.93615	0.4
51.56384	0.4
55.01886	0.5
56.74974	0.3
57.03460	3.2
59.01387	1.7
61.98831	0.4
65.00337	0.4
67.26794	0.3
69.03472	1.6
70.11797	1.3
71.01385	1.0
71.05033	9.2
73.02951	0.5
77.04008	0.3
79.01904	3.1
80.02699	0.4
81.03469	1.7
83.01411	0.9
83.05030	2.5
84.02182	0.9
85.02940	0.9
85.12093	0.3
93.03472	1.2
95.05035	16.3
96.05380	0.8
97.02964	6.5
97.06602	1.8
99.04517	0.9
107.05030	0.5
108.02242	0.4
109.02942	0.8
109.06634	1.2
111.04537	1.2
113.06129	1.2
119.39067	0.5
121.02962	1.5
121.04257	0.4
121.06634	0.8
122.03723	0.4
123.04553	1.3
123.08193	1.0
124.01695	0.6
125.02439	4.4
125.09721	0.9
127.04041	1.2
135.04552	0.7
135.08139	0.4
136.05281	0.5
137.02466	0.7
137.06081	0.5
138.03256	1.0
139.04025	57.6
140.04346	2.1
151.00418	1.0
151.04027	0.9
153.05540	2.6
163.07648	0.5
163.11238	0.4
164.04747	0.5
165.01935	2.5
166.02716	1.6
167.03549	0.8
167.07179	0.5
178.99901	0.4
179.03592	0.9
180.04285	1.9
193.05040	1.2
209.11832	1.3
227.12827	0.5
233.15556	0.5
235.09721	0.6
235.13316	0.4
243.02902	0.6
245.15504	0.4
249.11430	0.5
255.03009	0.8
271.02438	1.8
277.18063	1.2
279.12424	0.6
293.14011	0.7
299.99088	4.8
300.02774	3.4
300.99866	4.2
301.03418	1.7
309.83038	0.4
316.02188	0.6
331.15274	0.5
333.16705	0.4
349.16620	0.7
361.16431	0.9
363.18063	0.6
403.17419	1.0
419.24518	0.6
445.22238	0.8
463.04385	2.8
463.23318	100.0
464.04523	0.4
464.23593	16.5
469.96951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45632	0.8
55.01873	1.6
57.03455	2.9
59.01099	0.9
59.01384	18.7
61.98833	7.5
62.51431	0.6
68.99834	0.8
69.03454	1.2
69.26865	3.6
69.27287	2.6
69.47878	0.6
71.01391	16.7
71.06516	0.7
72.99306	5.6
73.02933	2.1
75.00880	15.1
77.18485	0.6
83.01383	2.3
83.05035	0.9
85.02959	20.3
87.00884	6.7
89.02446	6.2
93.03474	1.1
95.01395	5.5
95.22353	0.5
96.96039	1.3
99.00890	9.2
101.02425	2.7
103.00365	2.8
107.01417	1.5
109.02960	0.8
111.00890	0.8
113.02460	28.0
115.00372	1.8
117.01928	2.6
123.00872	0.7
125.02459	11.2
129.01970	1.2
135.04533	1.4
137.02443	1.5
138.01984	2.6
139.02292	0.9
149.02396	0.8
151.00356	3.0
151.03972	0.7
157.01469	0.9
160.01707	0.9
161.02449	1.4
163.07645	0.6
169.01460	3.2
175.02516	3.6
177.01933	1.0
178.99858	0.9
179.03476	1.2
183.13907	14.4
193.03465	0.9
195.13928	10.7
196.14198	1.0
205.07190	2.0
209.11725	0.9
213.14967	57.2
214.15324	2.0
223.08234	1.1
243.02936	1.9
245.04549	0.6
249.06180	5.0
255.03081	3.0
267.07230	6.5
271.02451	8.9
272.03064	0.7
284.00272	0.7
299.99127	11.9
300.02756	12.0
300.99857	10.3
301.03491	6.5
301.10953	1.2
302.00342	1.1
316.02243	1.9
317.02939	0.8
324.07990	1.6
356.15854	0.6
360.11075	0.7
445.20648	2.0
463.04834	5.1
463.09229	4.4
463.21854	100.0
464.04681	0.8
464.22186	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03443	2.9
59.01387	16.0
61.98833	3.9
65.92699	0.6
67.01872	0.8
69.03452	0.9
71.01386	15.7
71.35709	0.7
71.46777	0.6
71.61688	0.6
71.62084	0.7
72.99308	4.7
73.02956	2.9
75.00883	16.6
83.01394	2.0
83.05022	1.2
85.02956	16.8
87.00885	7.9
89.02445	6.2
93.03450	0.9
95.01398	4.1
96.96015	1.8
97.02960	0.8
99.00897	8.7
99.04514	0.7
101.02448	2.6
103.00388	2.0
105.01929	1.3
107.01390	0.8
108.02174	0.7
109.02975	1.3
111.00924	1.7
113.02457	21.3
114.02811	0.9
115.00385	1.6
117.01975	2.0
119.03486	0.8
119.05022	0.8
121.02950	0.7
123.00873	1.6
125.02468	4.2
129.01958	1.5
135.04506	0.8
137.02309	0.6
139.00351	0.7
144.15894	0.7
145.02991	1.0
151.00426	3.6
161.04568	1.3
163.00331	1.2
165.01938	1.0
165.12834	1.3
169.01466	3.1
175.02466	2.3
178.99854	0.9
179.03571	0.6
183.12361	1.3
183.13911	16.6
184.14108	1.2
195.13896	13.0
196.14090	0.8
205.07214	1.1
209.11826	2.9
213.14967	66.7
214.15291	5.3
217.04935	1.2
227.16504	0.9
229.01469	0.8
231.05128	1.1
238.58881	0.9
243.02885	2.3
249.06154	12.9
250.06473	1.1
253.09326	1.0
255.02921	3.8
267.07190	1.9
271.02472	10.1
272.02808	1.2
299.58450	0.7
299.99124	16.4
300.02744	16.3
300.99869	14.1
301.03500	7.8
302.00449	1.3
302.03629	1.1
302.66382	0.8
316.02325	1.9
343.08173	0.7
375.18054	1.3
403.19897	1.0
445.20520	2.8
463.05109	9.7
463.09512	4.7
463.21872	100.0
464.09470	1.8
464.15918	1.4
464.22235	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00543	0.5
59.01381	10.8
61.98840	2.9
63.02375	0.8
68.98417	0.5
71.01382	8.1
71.04996	0.7
71.61417	0.8
72.99273	0.7
73.02928	1.4
74.99056	0.6
80.02646	0.9
81.03439	1.5
83.01379	1.8
83.05035	4.1
84.02152	1.3
85.02959	2.8
85.03361	0.5
87.00868	0.7
89.02451	6.5
95.04990	0.5
96.96003	0.6
99.00861	1.4
99.68961	0.5
101.01855	0.6
101.02447	6.5
103.04010	0.5
105.03400	0.5
107.01360	2.1
108.02193	0.7
109.02917	1.0
113.02475	4.1
117.05505	0.6
119.01289	0.5
119.03481	1.9
119.05010	0.6
121.02901	1.6
123.00873	1.7
124.01665	0.7
125.02467	2.3
125.05949	0.5
131.03506	1.2
133.02917	0.7
135.03616	0.6
135.04536	5.5
135.08170	0.5
136.99136	0.7
137.02443	1.0
139.00351	0.7
139.04002	0.8
143.03548	0.7
148.01665	0.9
149.04506	1.1
151.00377	5.8
161.02420	2.1
161.04570	2.9
163.00426	1.3
163.03958	0.6
163.11293	4.0
165.01913	3.0
165.05568	0.6
165.12840	2.1
168.00610	0.8
169.01436	2.2
178.99802	2.4
180.00230	0.6
183.10252	2.0
183.18646	0.5
187.04059	1.1
191.10780	1.1
201.01929	0.7
203.03494	1.3
209.11835	100.0
210.12170	7.5
213.01912	0.6
214.02643	0.8
215.03474	1.9
216.04019	0.7
219.76459	0.7
224.88701	0.5
226.02687	0.8
227.03418	0.8
227.12880	17.6
228.13191	1.1
229.01221	0.6
229.05077	0.8
231.03102	0.8
235.08310	0.6
236.46390	0.4
241.01495	0.6
242.02470	0.6
243.03017	4.4
244.00044	0.6
245.04160	0.5
253.09314	13.6
254.02554	0.7
254.09563	0.7
255.03000	7.6
256.03583	0.8
259.02567	3.3
270.01642	1.2
271.02466	24.5
272.02881	2.7
273.07700	0.5
287.01996	20.5
288.02484	2.9
297.11780	0.7
299.01999	0.7
299.99237	10.1
300.02835	28.3
300.99896	8.7
301.03568	17.5
301.07224	3.0
301.99826	3.2
302.03461	0.8
315.01471	38.8
316.02185	18.3
317.02570	4.5
318.03030	0.9
319.03638	1.2
330.03839	5.9
331.04568	6.3
331.17630	0.9
332.04877	0.5
352.53003	0.6
383.13440	0.5
401.14508	9.7
448.06671	0.6
463.09048	54.9
463.22009	5.9
464.09311	6.4
464.21747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03448	0.6
58.00618	0.5
59.01382	7.5
61.98828	1.7
69.03465	0.5
69.44863	2.9
71.01385	8.6
72.99313	0.5
73.02950	3.3
80.02689	1.3
81.03461	0.9
83.01402	1.6
83.05024	4.3
84.02171	0.9
85.02957	3.1
87.00880	0.7
89.02451	4.7
93.03400	0.4
95.01376	0.5
95.05043	0.5
96.67673	0.4
96.95986	0.5
97.02972	0.6
99.00890	1.3
101.02444	7.7
107.01360	0.9
108.02228	0.4
113.02452	3.6
117.05616	0.5
119.03518	0.8
121.02923	0.7
124.01671	0.9
125.02419	1.2
125.06064	0.4
131.03465	0.4
133.02950	2.1
135.04515	0.9
135.08189	0.6
136.99141	0.5
140.01173	0.4
143.03520	0.6
145.02974	0.4
147.11823	0.5
149.04544	0.4
151.00414	2.8
159.02956	0.6
161.02454	8.4
161.04543	4.3
163.00386	0.9
163.11290	3.3
165.11600	0.4
165.12807	2.3
169.01401	0.4
178.99809	1.2
179.03462	0.5
181.12239	0.5
183.10260	2.2
191.10872	0.8
193.42986	0.4
199.03995	0.5
209.11832	100.0
210.12186	6.8
227.03502	0.7
227.12877	16.0
228.13261	1.3
243.02960	2.4
253.09299	12.4
254.02257	0.7
254.09467	0.5
255.02997	6.0
259.02328	0.5
271.02469	14.6
272.02853	2.1
287.01892	0.9
297.12085	0.4
299.02094	0.5
299.99161	3.0
300.02692	20.3
300.99841	2.5
301.03485	10.9
302.00229	0.4
302.03625	0.7
316.02161	3.7
317.02798	1.1
331.17566	3.6
383.13470	3.3
400.13174	1.5
463.08820	16.1
463.21854	9.8
464.09091	1.6
464.21927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36726	0.7
55.01876	0.8
57.03454	1.1
59.01383	100.0
60.01739	0.9
61.98843	0.9
64.77376	0.7
69.58370	1.6
69.58781	3.2
71.01383	19.4
71.01765	1.2
72.67751	0.7
72.99326	1.2
73.02954	4.7
83.01397	1.3
85.02959	6.5
87.00876	1.3
87.04551	1.0
89.02455	10.9
91.10678	0.7
93.28656	0.7
95.01389	1.2
96.96972	0.7
97.02979	1.2
99.00898	2.4
101.02458	12.2
111.00880	1.3
113.02459	8.9
117.05598	1.5
119.03507	4.6
123.00927	3.0
123.08202	2.1
124.05326	2.2
125.02460	7.5
131.03526	0.9
133.27240	0.7
139.00404	1.5
139.07657	10.7
139.08560	0.9
141.09297	1.8
143.03503	1.1
151.00385	2.4
159.03018	1.1
161.02472	1.0
161.04568	12.6
163.00398	0.9
168.00659	1.0
169.01471	8.7
175.11305	2.3
177.02046	0.8
179.05592	3.5
193.12430	0.7
211.02609	2.1
223.13481	1.6
241.14465	34.5
242.14839	1.9
257.04654	1.2
265.45532	0.9
271.04764	2.1
275.02161	0.8
300.99994	2.6
403.19748	41.9
404.20120	3.9
447.18832	1.1
463.14584	21.2
464.15317	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
55.09357	0.4
57.32906	0.4
58.00597	0.4
59.01384	9.9
61.98845	1.3
65.33454	0.4
69.29151	4.3
70.55343	0.4
71.01392	8.3
71.04951	0.5
73.02937	2.6
74.63958	0.4
80.02690	1.6
81.03461	1.0
83.01401	1.3
83.05029	3.8
83.73266	0.4
84.02175	0.9
85.02962	3.4
87.00884	0.5
89.02462	5.7
95.01421	0.6
95.05047	0.6
96.96046	0.4
99.00893	1.8
101.02460	6.0
107.01394	0.5
108.02175	0.4
109.02961	0.7
109.06590	0.6
113.02468	3.6
117.05581	1.1
118.12464	0.4
119.03516	1.1
121.02964	0.6
123.00925	0.4
124.01717	1.0
125.02431	0.8
125.06083	0.5
133.02975	3.3
135.04521	1.0
139.03955	0.8
143.03357	0.4
145.02953	0.5
149.04532	0.8
151.00351	3.8
161.02452	13.1
161.04480	2.7
162.02817	0.9
163.11285	3.3
165.12871	2.0
169.01477	0.8
172.32275	0.4
178.99930	1.9
179.03485	1.1
179.05666	0.6
181.12363	0.6
183.10258	4.0
191.10770	0.8
199.13377	0.7
209.11835	100.0
210.12158	7.3
226.02693	0.5
227.03551	0.8
227.12892	17.3
228.13284	1.3
242.02264	0.6
243.02954	2.7
253.09300	13.2
254.02214	0.6
255.02960	6.3
256.03333	0.5
271.02466	19.2
272.02902	1.9
287.02060	1.1
297.11963	0.8
299.99203	3.2
300.02707	24.1
300.99854	2.3
301.03409	12.6
302.00418	0.5
302.03851	1.0
316.02176	4.5
317.02747	1.1
331.17624	2.2
383.13492	4.5
384.13831	0.9
400.13293	2.9
431.82681	0.4
463.08850	21.3
463.21872	7.6
464.09128	2.7
464.21771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28512	0.9
57.03443	2.1
58.00571	1.9
59.01371	3.9
60.99315	8.3
61.98837	16.5
69.65652	5.0
69.97417	0.9
71.05024	4.7
83.05016	2.3
85.02949	4.1
87.04532	1.5
88.98814	57.1
92.28762	1.0
95.01347	1.1
95.05048	1.0
98.19870	1.5
99.04521	3.9
109.02972	8.0
109.06538	1.8
111.04571	4.8
113.02422	1.5
113.06080	1.0
123.04539	5.6
125.02414	2.7
125.06123	4.2
127.04011	8.4
127.07611	1.2
131.02768	0.9
133.44566	0.9
137.02487	0.9
141.05550	2.0
148.77811	0.9
149.02461	1.2
149.06004	1.5
151.00345	1.6
151.04019	9.0
152.04649	1.5
153.05600	5.2
164.04684	1.9
167.03519	2.0
177.01947	1.3
178.02666	2.5
183.13997	0.8
184.23798	0.9
190.30267	0.9
206.05243	0.9
255.03087	1.3
271.02563	4.1
286.98694	1.1
299.99081	11.5
300.02716	8.7
300.99829	12.7
301.03397	3.4
302.00128	1.5
317.17532	1.9
329.21213	1.0
357.20422	1.1
357.37189	1.0
373.20068	4.5
374.20578	1.0
375.17908	1.1
385.20279	1.4
400.22131	4.9
401.23080	1.3
403.24692	5.2
404.24985	1.0
407.24402	6.0
417.26379	2.8
421.25781	1.5
445.25900	18.8
446.26328	2.4
448.24664	1.7
463.04593	10.2
463.26901	100.0
464.05176	1.3
464.27219	15.5
483.84680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1615
Annotation	Isomucronulator 7-O-glucoside
Peak:m/z	Relative Intensity
50.36247	0.6
53.00314	0.6
57.03440	0.6
59.01384	4.2
61.98825	3.0
65.00327	0.9
69.57931	2.5
69.58339	1.1
71.01382	2.1
73.02956	0.8
75.00847	1.0
79.01905	2.8
79.05620	0.5
81.03446	0.9
83.01380	2.6
83.05022	1.8
85.02930	1.0
85.06565	2.4
89.02425	1.0
93.03465	3.8
95.01392	0.8
95.05035	7.2
96.92475	0.5
96.96008	1.5
97.02930	1.4
101.02419	0.6
101.11665	0.4
107.01372	1.2
107.25806	0.5
109.02935	1.6
109.05875	0.8
109.06592	7.4
109.36896	0.5
110.89536	0.6
111.04509	1.7
113.02444	2.1
119.04241	1.0
119.05039	15.5
120.05371	1.1
120.08180	0.9
121.02962	2.8
123.00865	1.4
123.04504	0.8
125.02470	6.3
133.02928	1.1
135.04536	10.3
136.07675	0.6
137.02422	2.5
139.00380	0.7
139.03992	2.1
145.02956	0.8
147.04572	0.7
149.02386	0.5
149.06081	1.0
151.00363	2.1
151.04022	1.3
151.07657	21.1
152.04709	0.5
152.07968	1.4
153.05592	14.8
154.01453	1.7
154.05859	0.7
161.04607	0.8
162.21480	0.5
163.07675	1.0
165.01949	10.9
165.05620	1.2
166.02281	0.6
167.03447	0.7
169.01469	4.5
177.01930	1.8
178.99857	1.1
179.03513	4.6
179.07146	0.8
180.04231	1.9
189.05542	0.7
191.07132	3.9
193.01457	0.5
193.05136	0.9
194.05777	1.2
195.06636	51.0
196.06981	2.6
207.06644	2.9
208.00124	2.0
209.00818	1.0
209.08165	1.2
209.11826	2.0
213.14925	1.6
221.00902	2.8
237.07732	2.8
239.02583	0.5
243.02901	0.6
246.98778	2.3
253.09239	0.5
255.02998	1.7
257.07059	0.6
257.11896	1.0
267.10797	0.6
271.02426	5.5
295.84763	0.6
297.11304	1.0
299.09161	1.3
299.99094	7.4
300.02728	6.6
300.09647	0.7
301.00241	6.2
301.03415	4.3
301.07166	9.9
301.10776	100.0
302.07751	0.9
302.11139	9.8
313.05627	2.3
316.02350	0.9
343.11929	5.3
344.12073	0.7
375.10855	0.8
375.18399	0.9
401.08392	1.0
449.74261	0.6
463.05075	3.8
463.10034	1.7
463.15536	5.4
463.32803	1.0
464.15787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02352	2.3
57.03450	9.4
59.01377	33.8
61.98565	2.3
61.98829	17.5
68.99843	3.8
69.03456	5.4
71.01383	11.9
71.05013	4.1
71.61355	5.0
73.02947	3.6
78.95908	8.4
81.03460	8.6
83.01392	8.3
83.05023	8.5
85.02958	12.8
88.72498	2.4
93.03468	3.8
95.01392	4.7
95.05051	4.6
96.96009	8.8
97.02946	7.1
97.06618	3.3
99.00873	2.6
99.04514	7.3
101.02442	10.6
103.32072	2.4
107.05012	7.8
108.02169	2.7
109.02977	14.3
109.06601	2.7
109.74434	2.3
111.00914	2.8
111.04516	6.7
113.02441	10.6
121.02962	5.3
123.04512	9.4
123.08170	6.2
125.02454	76.2
125.06087	7.9
127.04024	12.1
135.04532	3.5
135.08131	6.2
136.05318	2.8
137.06110	4.5
138.03227	5.5
139.04045	17.3
141.01945	6.4
151.00395	12.7
151.03999	11.1
151.07619	9.0
152.99596	9.7
153.01906	4.0
153.05583	8.2
161.04597	3.8
161.09801	3.2
163.04034	4.7
163.07614	2.6
163.11200	3.0
165.01852	2.7
167.03471	8.3
178.99883	3.3
179.03595	4.1
191.10970	2.7
205.08607	3.9
207.08722	4.0
209.11810	56.7
210.12157	4.5
213.15096	3.2
221.08141	3.0
227.12868	13.9
233.08234	9.3
239.09280	3.6
243.02962	8.2
251.06613	4.8
251.09251	100.0
252.09554	9.6
253.09363	7.9
255.02991	10.9
263.09244	6.0
271.02441	35.8
277.10767	32.6
286.98529	2.7
293.10349	10.8
294.10782	3.7
295.11914	29.1
297.09659	3.1
299.99084	66.4
300.02731	49.9
300.96597	4.7
300.99835	59.9
301.03467	26.0
305.10471	4.0
316.02109	7.0
331.21103	3.6
347.14868	2.9
363.18304	7.4
403.17426	10.1
419.20413	3.6
421.18600	4.0
445.18735	16.0
463.05127	43.6
463.09558	16.0
463.18961	72.2
463.30869	6.2
464.05124	3.7
464.20187	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	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
58.00576	1.0
59.01379	28.4
69.03432	4.1
69.53996	6.8
71.01388	17.4
72.99315	1.1
83.01370	1.4
85.02934	3.9
87.00869	1.0
88.14398	0.9
89.01925	1.4
89.02449	22.5
90.22630	0.9
95.01364	2.4
101.02452	12.2
107.01354	3.9
111.00834	2.7
113.02459	6.4
119.03510	8.4
123.00854	6.9
124.01624	1.9
125.02456	30.8
126.02787	1.3
131.03452	1.3
136.98746	1.8
139.00317	3.2
139.03955	1.5
140.01212	4.7
143.03468	1.0
149.04535	1.8
151.00377	4.5
165.01851	1.4
167.03433	1.4
168.00655	17.2
169.01433	44.0
170.01730	1.7
173.94301	1.0
179.05618	1.1
191.79465	0.9
211.02481	63.4
212.02827	4.3
234.30579	1.0
241.03284	1.4
271.04602	58.1
272.04797	4.1
290.08670	1.1
311.09827	45.7
312.10025	2.2
313.05496	1.4
314.26315	1.0
318.47015	0.9
331.06488	4.2
438.08707	1.1
445.09760	11.4
463.10648	100.0
464.11002	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	463.1253
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
52.28263	0.4
57.03456	0.7
59.01384	6.0
61.98837	3.0
65.00334	5.4
69.03470	0.4
71.01385	3.2
71.05054	0.3
71.61815	0.6
73.02959	0.8
81.03438	0.5
83.01407	0.8
83.05045	0.4
85.02974	1.6
87.00928	0.4
89.00352	1.8
89.02441	2.4
90.02802	0.5
91.01910	1.2
93.03470	0.4
95.01418	0.4
96.96001	0.8
97.02972	5.6
101.02458	2.1
108.02216	0.6
109.02975	3.2
111.02020	0.4
113.02447	1.7
121.02980	2.8
123.00908	1.0
123.04568	0.5
124.01677	0.6
125.02463	8.1
126.02765	0.5
134.03763	1.7
135.04543	100.0
136.04828	4.7
137.02446	0.6
138.03214	0.5
139.00331	0.4
139.04031	0.6
145.02971	0.4
149.04601	0.5
149.99594	2.3
151.00365	1.3
161.02487	1.6
161.04578	0.8
164.01167	0.7
164.08615	0.4
165.01952	46.2
165.09178	1.0
166.02245	2.2
167.10803	1.7
168.11127	1.1
169.01451	0.9
183.03033	1.0
183.13948	0.9
195.13889	0.8
209.11880	2.9
210.01781	0.5
213.09576	0.9
213.14995	8.1
214.15276	0.4
227.12900	0.6
243.03008	0.9
243.99988	0.5
255.02971	1.8
255.94980	0.3
267.10797	2.3
271.02475	3.9
271.99728	0.4
272.02917	0.5
287.02039	0.5
297.09790	0.9
299.99097	7.7
300.02756	6.0
300.06177	0.3
301.00296	7.3
301.03677	4.4
301.07175	72.7
302.00317	0.6
302.04092	0.5
302.07513	6.9
316.02228	0.9
317.03070	0.4
419.29987	0.4
421.18515	0.7
445.18201	0.5
463.05200	5.1
463.12418	5.3
463.19846	2.0
463.30084	2.2
464.05396	1.0
464.12509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1617
Annotation	Isomucronulator 7-O-glucoside
Peak:m/z	Relative Intensity
50.11108	0.3
52.20104	0.3
53.65737	0.3
55.01892	1.3
59.01391	1.7
61.98832	0.4
69.31063	2.9
71.01384	0.8
79.01897	0.8
80.50935	0.3
83.01377	0.5
85.02969	0.5
85.06596	7.2
89.02447	0.4
89.33368	0.3
91.79245	0.3
93.03470	5.5
94.03774	0.3
94.57831	0.3
95.05031	2.4
97.02955	3.3
98.19785	0.6
101.02444	0.3
107.05042	0.7
109.06609	2.6
111.04529	7.9
119.05048	3.2
121.06596	0.4
123.04512	0.4
125.02451	0.5
135.04547	1.1
136.39880	0.3
137.02481	0.3
138.03265	0.7
139.04039	0.6
147.04492	0.4
149.06108	1.0
151.00385	0.6
151.07671	8.0
152.04768	0.3
153.05586	100.0
154.05928	4.2
163.07668	0.5
165.05580	7.1
166.05939	0.4
167.07130	0.8
169.01463	0.3
177.05576	6.9
178.99866	0.4
179.03543	1.5
179.07104	1.2
191.07210	0.6
192.04265	0.7
193.05147	0.4
195.06633	37.7
196.06955	1.8
207.06622	5.6
219.06657	1.1
243.03021	0.6
249.07834	0.4
255.02942	0.9
271.02420	2.1
279.08585	0.4
287.01828	0.3
295.47101	0.3
297.09753	2.5
299.99106	1.8
300.02740	3.3
300.99774	1.6
301.03503	2.1
301.10825	53.2
302.11151	5.0
311.99414	0.3
315.11035	0.7
316.02097	0.3
463.04318	0.8
463.09125	1.9
463.16080	6.4
463.22479	0.4
464.09674	0.4
464.16333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94761	1.0
59.01389	1.3
60.04216	0.8
63.91387	0.6
65.00311	1.3
69.27990	7.4
69.28381	1.9
71.01369	0.8
72.18858	0.7
83.01378	0.9
96.63618	0.8
107.01373	2.3
107.09785	0.8
108.02187	1.2
121.02949	1.3
126.34437	0.7
134.73373	0.9
135.00873	0.9
142.22729	0.7
148.01640	1.9
151.00386	12.1
163.00352	3.0
169.01437	1.1
178.99869	6.5
183.10275	1.5
199.04042	1.2
211.04070	1.6
216.94759	0.9
226.02707	2.5
227.03526	3.7
229.05051	1.1
243.02980	10.5
244.03380	1.0
245.04593	1.2
254.02243	2.5
255.03006	25.5
256.03470	1.9
271.02481	64.8
272.02896	7.2
273.03732	0.8
283.02594	1.5
300.02771	100.0
301.03503	55.8
302.03873	2.7
316.02078	1.8
456.38068	0.8
463.08829	70.8
464.09149	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	463.0887
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
59.01379	17.8
61.20504	1.1
61.98832	13.2
65.00327	1.8
71.01376	6.6
71.60677	2.0
72.99302	1.6
73.02948	1.6
81.03456	1.0
83.01398	1.7
85.02977	2.8
87.00857	1.3
89.02439	6.2
91.83479	1.1
93.03455	4.0
95.01402	2.7
96.96025	7.0
99.80695	1.0
101.02464	5.7
107.01388	2.7
109.02953	1.7
110.00136	7.5
111.00886	6.8
111.04487	1.4
113.02472	2.6
116.92861	4.2
117.05576	1.3
119.03533	2.0
119.05032	8.7
120.99660	2.6
121.02961	9.8
123.00922	4.8
124.01657	1.6
125.02448	17.7
130.04234	1.2
131.05029	3.4
132.84880	1.1
135.00862	1.4
135.04520	1.8
136.99049	2.0
137.02480	6.6
137.99600	2.7
139.00386	13.4
139.03996	1.4
143.04681	1.1
145.02902	1.5
145.08623	1.4
149.02444	2.2
149.06099	2.7
151.00383	6.8
155.05003	1.2
161.02463	2.5
161.04562	2.4
163.04080	1.5
164.01140	1.8
165.99040	10.4
166.99908	6.1
168.00523	1.2
169.01427	13.0
172.01672	1.7
173.02428	1.4
174.03242	1.3
175.04054	1.1
176.04709	1.1
177.01894	1.4
178.99823	6.6
179.05688	1.1
185.02501	2.0
188.01114	1.4
189.01865	2.2
194.99400	2.3
199.04016	2.9
200.01062	2.3
200.04536	1.4
201.01811	3.1
206.99384	1.9
209.11821	1.9
215.03430	1.9
216.00598	4.9
227.03416	5.2
228.00655	2.2
229.01407	2.9
231.03024	2.1
239.05632	3.4
242.02306	2.1
242.99268	1.6
243.02971	5.5
244.00136	4.7
244.03685	1.2
255.02934	2.1
257.00851	2.6
259.02365	1.4
270.01669	3.7
270.99438	1.3
271.02432	29.3
271.99609	3.2
272.02951	3.3
275.01959	1.5
281.06741	3.4
282.98773	1.2
283.99603	2.7
287.01923	16.8
288.02527	3.1
297.11911	1.2
298.98611	2.8
299.01941	18.7
299.99136	100.0
300.02560	11.0
300.99875	83.5
301.03287	4.7
302.00357	5.2
307.14044	3.1
309.81757	1.3
313.05597	2.7
315.98593	22.8
316.02252	45.1
316.99295	17.0
317.02991	39.9
318.03366	2.6
401.11145	1.3
403.10349	1.9
403.19727	3.2
408.30539	1.1
445.11389	2.2
463.05264	71.1
463.11069	13.6
463.18741	4.9
464.05524	7.6
464.09677	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	463.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	0.5
61.83307	0.5
68.14005	0.6
69.34033	0.5
69.48294	2.7
69.48714	2.0
71.33833	0.5
71.60540	0.5
88.98815	1.1
97.39018	0.5
98.51451	0.6
130.18448	0.6
132.02222	0.6
139.78801	0.7
145.02869	0.7
157.02945	0.6
160.01645	1.1
172.01666	3.1
173.02446	0.9
185.02429	2.0
188.01213	1.3
200.01147	2.7
201.01910	1.8
216.00665	4.6
226.99873	1.0
228.00725	2.7
229.01378	3.2
237.01999	0.6
242.99234	1.3
244.00096	5.5
245.00752	1.3
257.00912	2.4
270.98923	0.9
271.99667	4.5
282.98837	2.4
283.99603	2.8
298.98380	1.3
299.99127	100.0
300.99875	96.7
302.00183	8.3
463.05212	83.4
464.05457	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	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
70.17739	1.5
92.75231	0.3
98.19977	0.6
132.02242	0.7
137.78073	0.3
146.64818	0.3
160.01668	0.8
172.01593	1.0
173.02316	0.8
176.01161	0.6
185.02443	1.3
188.01173	0.7
200.01112	2.3
201.01857	0.8
216.00616	3.0
216.68375	0.3
226.99826	0.8
228.00618	1.1
229.01375	2.5
242.99344	1.5
244.00154	3.0
245.00562	0.6
257.00964	2.6
270.98743	0.8
271.99524	1.4
282.98825	0.8
283.99792	1.1
298.98425	0.9
299.99124	100.0
300.99850	52.5
302.00244	4.2
334.40723	0.4
463.05203	75.0
464.05551	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40720	0.7
65.00324	1.1
70.05672	2.3
70.06079	1.7
71.52832	0.7
107.01413	1.8
108.02180	1.4
125.02433	0.9
148.01733	1.3
151.00380	10.6
163.00372	2.2
164.40610	0.8
168.73044	0.7
178.99857	4.2
216.04135	0.8
226.02773	1.6
227.03581	2.1
243.02966	8.3
245.04610	0.8
254.02211	2.2
255.03012	22.8
256.03482	2.2
270.01569	1.0
271.02490	50.7
272.02927	6.6
283.02271	1.0
287.02048	1.4
299.01996	1.4
300.02768	100.0
301.03479	44.8
302.03802	4.0
316.02219	6.9
317.02914	2.3
335.40314	0.8
337.38434	0.9
343.04581	1.1
463.08850	78.2
464.09125	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	462.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84550	1.2
59.01381	2.6
61.98833	100.0
63.96277	1.1
65.20702	1.1
69.03437	1.6
69.48357	10.6
81.03462	1.7
85.02955	1.7
95.01384	1.9
124.01665	1.8
125.02434	5.4
152.01170	1.3
153.05630	1.9
166.02728	2.5
176.37463	1.3
179.03455	2.3
245.43558	1.2
291.12369	2.4
299.99283	2.8
300.02814	2.1
300.99872	3.4
301.03296	1.6
305.13220	1.3
305.67261	1.3
347.54083	1.2
351.10022	1.4
399.21722	42.6
400.22278	6.4
402.23679	2.0
404.81677	1.3
462.25793	10.7
462.32956	4.1
463.04727	2.0
463.26199	2.6
463.34149	1.3
467.76392	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	462.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01364	3.0
61.98834	71.5
66.33760	0.9
69.52168	7.4
71.05009	2.8
72.90229	0.8
83.01385	1.0
85.02953	1.8
95.01375	1.4
99.04539	2.3
107.04977	0.9
109.02941	3.4
111.04484	2.6
121.02923	1.1
123.04511	2.6
125.02445	3.1
125.06072	1.7
127.04026	4.5
132.39821	0.9
137.02434	1.0
137.06076	1.9
139.03972	1.4
141.05624	1.3
151.00339	2.2
151.03979	4.2
152.04822	4.7
153.05507	3.2
163.03923	1.7
165.05560	8.4
166.02715	2.1
166.05919	2.7
175.04008	1.2
177.01974	1.2
177.05424	2.3
178.06261	2.2
179.03468	1.8
188.04878	1.1
202.06436	2.1
203.07129	6.9
204.07457	4.0
217.08630	1.6
218.09491	6.6
219.09813	5.0
271.02417	2.2
291.12384	2.7
299.99084	3.8
300.02698	3.6
300.99802	4.8
301.03326	2.2
313.47318	1.3
343.35129	1.3
399.21765	30.6
400.22177	4.7
402.23611	2.0
403.24594	1.8
407.24542	1.2
434.33148	1.3
444.24524	3.1
444.31464	2.4
445.25885	8.8
446.30389	1.1
447.30618	2.7
461.32574	13.9
462.25848	19.7
462.32983	100.0
463.04822	2.3
463.26883	40.6
463.33224	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	462.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
61.98833	10.1
69.03438	0.9
69.39364	2.1
69.39783	3.1
71.01382	10.8
72.99304	0.8
73.02958	3.1
80.02690	1.3
81.03474	1.2
83.01405	1.9
83.05028	6.1
85.02953	3.6
87.00901	1.0
89.02448	7.4
95.01376	1.3
97.02950	0.9
97.06584	0.7
99.00898	1.9
101.02452	9.3
103.02377	0.7
107.01379	2.0
111.00883	1.4
113.02444	4.3
114.28920	0.7
117.05571	1.5
119.03483	1.1
121.02961	1.7
123.00909	4.6
124.01646	2.2
125.02435	7.0
133.02945	4.2
133.05043	0.7
135.04506	1.0
135.08162	0.8
137.02426	1.3
138.72430	0.7
139.00406	2.3
140.01144	2.1
140.75922	0.7
145.02963	1.2
146.89661	0.9
149.04532	1.1
151.00346	9.5
161.02458	20.3
161.04443	3.5
163.00363	1.0
163.11281	2.9
165.12846	2.7
168.00600	1.9
168.03023	1.0
169.01457	7.8
178.99849	3.4
179.03525	0.8
183.10242	4.1
191.05768	1.0
203.03548	1.0
209.11835	100.0
216.04367	0.8
225.37483	0.8
227.03477	0.9
227.12912	19.0
243.02940	6.1
253.09305	12.9
255.02963	11.1
271.02444	29.8
272.03012	1.8
283.02499	0.8
287.01794	1.4
297.11951	0.8
299.99319	5.3
300.02734	44.6
300.99908	3.3
301.03412	17.1
313.05807	1.0
316.02237	8.9
317.02774	2.8
323.07751	0.8
331.17706	4.0
383.13455	6.6
399.12982	39.4
400.13339	4.8
418.40652	0.9
461.19312	1.0
462.07980	0.9
462.19388	4.1
463.08823	44.4
463.21799	8.4
470.76456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.25
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
66.19839	0.8
69.59457	0.8
69.62578	5.0
70.41979	0.8
80.59219	0.8
145.75481	0.9
146.85681	0.9
195.74362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.91141	2.4
69.60899	11.2
96.75775	2.1
99.99808	1.9
103.82026	2.1
126.03933	2.1
139.03986	2.7
301.04401	2.1
355.26416	3.8
398.05954	2.0
399.25421	23.6
400.25687	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	462.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76203	1.4
57.03451	7.6
59.01383	12.7
61.98832	34.0
67.01911	1.5
68.99809	2.0
71.09654	4.4
75.19136	1.4
81.03465	2.7
82.59509	1.5
83.01382	4.6
85.02970	12.0
85.06581	3.8
86.03282	2.6
87.00865	4.0
87.04528	1.5
87.47030	1.5
88.13982	1.4
90.07807	1.5
95.01375	1.8
95.05023	2.7
97.06591	5.5
98.06939	1.8
108.02177	2.6
113.02436	3.9
113.06097	10.8
113.94854	1.5
114.06417	4.0
123.04465	3.5
125.02451	38.5
125.06040	4.7
126.06438	1.5
137.06062	1.9
139.07657	1.4
141.01941	2.3
141.05579	24.2
142.05873	7.4
165.05528	2.6
166.06366	4.4
167.03381	1.7
173.31598	1.5
181.05072	5.1
182.05392	2.9
191.03436	1.8
193.18712	1.6
209.24989	1.6
257.31332	1.4
262.43787	1.7
264.52682	1.7
302.21997	1.8
320.23157	2.8
330.21432	2.7
343.19000	1.8
373.23865	5.9
374.24164	41.4
374.28653	3.6
375.24539	5.7
399.21808	5.1
400.29343	3.4
402.23010	2.8
402.27292	6.7
403.28320	3.6
404.25125	3.8
416.28998	4.8
418.30209	7.4
420.28360	5.2
444.24484	11.3
461.28922	6.9
462.29379	100.0
463.09222	2.4
463.29666	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	461.3277
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
53.10215	0.4
54.72354	0.4
55.01884	0.6
57.03455	0.7
59.01389	1.2
61.39983	0.4
61.98833	9.5
69.58259	1.9
69.58675	0.9
71.05019	1.1
80.72480	0.4
80.90881	0.4
81.03465	0.5
83.05051	0.5
85.02963	0.6
88.20983	0.4
89.58967	0.4
95.05014	0.4
99.04514	1.0
109.02973	1.6
109.06569	0.5
111.04543	1.2
113.02451	0.4
123.04543	1.5
123.08145	0.4
125.02450	2.5
125.06104	0.6
127.04004	1.4
136.05299	1.4
137.06093	1.3
138.03227	1.2
139.03969	1.2
148.05345	0.6
151.02989	0.4
151.04010	2.4
152.04799	6.8
153.05595	2.7
163.04012	1.7
164.04797	1.2
165.05583	7.2
166.06291	0.4
167.03481	0.4
173.06122	0.4
175.03966	0.7
176.04771	0.9
177.05550	2.7
178.06320	1.5
179.03645	0.7
183.02965	0.4
185.06087	1.1
188.04802	0.9
188.52977	0.4
189.05565	1.7
192.04259	0.5
199.07607	0.5
200.08412	1.4
202.06294	1.9
203.07141	10.7
204.07622	0.7
213.09213	0.7
217.08725	2.4
218.09489	9.6
219.10011	0.9
232.11079	0.4
286.25095	0.4
351.76309	0.5
398.20557	0.6
399.21762	3.9
401.23145	1.8
433.33075	1.8
443.24796	3.1
443.31326	3.0
444.24918	0.6
444.32065	0.6
446.30139	3.6
447.30447	0.6
461.25531	22.6
461.32718	100.0
462.25937	3.2
462.33017	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	462.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46733	1.2
57.03448	2.7
61.98835	100.0
69.50617	2.3
69.51031	6.2
71.05033	1.8
81.03468	3.4
83.01378	1.4
97.45878	1.0
125.02449	14.0
127.04034	2.5
139.00319	1.2
147.21556	1.1
180.70694	1.5
184.69379	1.2
257.81424	1.2
299.99313	2.4
300.02756	1.3
377.23328	5.2
399.21753	41.0
400.22339	7.2
461.36374	4.9
462.26459	1.7
462.37137	10.1
463.26749	1.4
463.34750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01931	0.2
59.01380	0.7
61.98842	0.2
71.61486	0.2
83.01406	0.3
85.02962	1.4
93.45114	0.2
95.05077	0.2
97.47771	0.2
100.98505	0.2
113.02396	0.3
122.03738	0.3
123.04534	1.0
133.72221	0.2
135.04504	0.2
137.06096	20.4
138.06415	0.8
150.03311	0.2
152.04837	1.3
163.07564	0.3
165.05576	100.0
166.05920	4.7
283.67047	0.2
295.63470	0.2
301.21667	0.3
316.50018	0.2
329.24768	0.5
371.25964	0.5
373.19293	0.3
373.23856	6.6
373.28494	0.4
374.24014	1.2
385.27499	0.4
417.29941	0.4
443.24323	0.8
443.31253	0.4
460.38867	0.4
461.32721	39.4
462.33179	6.1
462.39758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2911
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.14986	0.3
52.48153	0.3
55.01869	0.8
57.03452	5.9
58.00581	0.7
59.01384	1.6
59.31374	0.3
61.98817	0.8
69.03452	0.5
69.44929	1.7
69.45356	1.0
79.01892	1.7
81.03455	0.7
83.05013	0.4
85.02964	4.0
85.06607	0.7
87.00898	0.7
87.04519	12.1
95.05051	0.7
97.02956	0.8
97.06618	0.4
97.42238	0.3
99.04535	0.3
99.08160	4.9
111.04504	0.5
111.08236	0.3
113.02468	0.4
118.05614	0.3
121.06615	1.4
123.04491	0.3
123.08169	14.5
124.08514	0.8
125.02463	0.8
125.06055	0.6
125.09748	0.4
137.06088	0.4
141.01955	0.5
149.06100	2.2
150.10684	0.3
151.07684	0.4
152.04794	1.2
153.05536	0.5
163.07680	0.7
165.05585	0.9
167.07143	38.2
168.07516	2.2
179.03499	0.8
185.79869	0.3
193.05074	1.9
194.05852	0.7
207.06689	0.5
221.08122	0.6
259.20691	1.0
263.12985	0.6
285.22241	0.3
287.20303	0.5
301.21902	0.7
315.38879	0.3
329.24857	4.4
330.25040	0.6
355.23001	0.4
373.23795	10.5
374.24353	1.7
401.23282	1.0
417.29980	0.5
443.24017	1.8
461.29102	100.0
462.29465	18.3
462.36105	0.7
468.09946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2911
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.01882	1.1
57.03452	3.0
59.01385	7.1
64.07899	0.5
68.99823	0.6
69.03485	0.9
71.05032	0.7
77.40705	0.6
83.01397	1.5
83.46683	0.6
85.02960	3.3
85.06601	5.7
87.04538	0.8
95.01427	1.2
95.05068	2.8
96.02194	1.3
97.03004	1.0
97.06601	5.1
98.20631	1.4
99.03957	0.5
99.04567	2.0
102.23001	0.6
108.02235	2.7
109.02949	1.5
109.06649	1.3
111.00939	0.7
111.04553	1.4
111.08192	1.6
113.02519	1.2
113.06100	11.0
121.06694	0.9
122.03780	1.5
123.04556	4.1
124.05340	1.0
125.02495	1.4
125.06085	6.7
127.04017	0.7
135.04591	2.0
136.05325	0.8
137.02498	1.0
137.06142	2.2
138.03221	1.1
139.04118	1.4
139.07716	2.8
140.69424	0.6
141.01964	1.4
141.05591	23.3
150.06841	1.0
151.04074	0.8
152.04854	0.9
153.05585	8.6
165.05659	2.4
166.02780	1.2
166.06364	3.7
167.03505	1.3
172.09311	0.6
179.07227	1.2
180.04372	0.7
181.05098	5.7
183.06676	1.2
189.09386	0.7
191.03638	2.1
192.08047	2.5
207.10497	0.9
221.19299	1.1
223.17162	1.5
247.17035	0.9
251.09541	0.5
277.21765	0.8
295.22888	1.3
303.23389	0.8
317.18155	1.0
319.23047	2.0
327.23331	1.2
329.21475	2.7
345.24219	0.6
387.21811	1.2
389.23547	0.8
391.25073	2.0
399.29297	2.1
401.26984	8.5
402.27682	3.1
403.24686	4.0
404.25305	0.8
415.28592	5.8
416.29364	0.9
417.30084	3.9
417.34741	6.7
418.30396	0.8
419.28818	5.9
420.28781	0.9
443.28497	2.1
461.29477	100.0
462.29779	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	461.255
Annotation	Incisagenin
Peak:m/z	Relative Intensity
52.45782	0.5
57.03438	2.1
59.01368	2.0
69.72877	2.9
70.55846	0.5
71.05030	5.9
73.02942	0.6
73.06187	0.5
73.26614	0.5
83.05042	2.8
85.02943	2.2
97.02927	0.9
97.06574	1.1
99.04520	3.9
107.05004	1.4
108.02158	0.6
109.02975	4.4
109.06602	1.1
111.04504	3.5
113.02413	0.8
113.06105	1.0
122.03715	0.7
123.04532	4.2
125.02444	1.2
125.06075	3.8
127.04030	8.3
135.04530	1.6
136.05275	0.7
137.02388	0.7
137.05994	0.6
141.05548	1.5
151.04025	7.5
152.04742	2.5
153.01874	1.1
153.05598	5.5
162.06923	0.7
163.03915	1.0
164.04747	1.4
165.05522	0.8
166.06281	0.6
167.03462	2.2
169.05008	1.6
177.01933	1.3
177.05479	0.8
178.02754	1.6
178.06271	1.0
179.03268	0.7
180.04358	0.6
181.05093	0.9
192.04240	0.6
205.05008	1.7
207.10297	0.6
207.13545	0.6
245.19014	0.9
299.20038	1.1
325.21552	1.4
327.19586	1.7
341.21155	1.3
345.68811	0.7
369.20624	2.0
387.21753	1.1
397.23416	0.8
401.23160	3.5
401.27737	1.0
405.22784	3.4
415.24844	1.5
417.26382	0.8
419.24216	1.2
425.22937	0.7
443.18463	1.1
443.24380	16.5
444.24585	1.9
446.23108	1.1
461.25323	100.0
462.25641	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	461.2552
Annotation	Incisagenin
Peak:m/z	Relative Intensity
55.01884	0.5
57.03450	1.6
59.01382	2.2
67.40518	0.4
69.03455	0.7
70.16957	1.2
71.05032	6.4
71.87666	0.4
72.63570	0.5
73.02943	0.6
83.05036	2.6
85.02953	1.7
90.80952	0.4
95.05050	1.0
97.02989	0.8
97.06602	1.0
99.04523	4.0
107.05015	1.9
108.02204	0.7
109.02970	6.5
109.06615	0.8
110.27566	0.5
111.04526	4.8
113.02478	1.1
113.58845	0.4
122.03765	0.8
123.04555	5.5
125.02463	1.5
125.06081	3.7
126.10457	0.4
127.03130	0.6
127.04037	10.5
135.00874	0.6
135.04527	1.0
136.05269	0.6
137.02454	1.1
138.03210	0.7
139.04004	1.1
141.05615	0.7
149.02402	0.7
151.04022	8.0
152.04762	1.6
153.01904	0.7
153.05627	4.1
163.04070	0.5
164.04758	1.8
165.05533	0.9
167.03540	2.4
169.05075	0.9
175.61635	0.4
177.01947	1.1
177.05527	0.8
178.02733	2.4
178.06255	0.5
180.04312	0.5
181.05037	0.7
184.42749	0.4
191.03532	0.7
192.04297	0.7
196.03822	0.6
205.05106	2.3
220.10730	0.5
235.17020	0.6
261.11044	0.5
271.16934	0.5
289.18195	1.1
315.15900	0.6
317.17731	0.7
325.21793	1.4
327.19708	1.8
341.20990	1.1
369.20773	1.5
371.22354	0.5
399.25629	0.7
401.23383	3.5
402.23904	0.5
405.22845	4.4
406.23038	0.9
415.24817	2.6
416.24988	0.7
417.26184	1.0
419.24518	1.2
443.18433	1.0
443.24438	17.9
444.24670	2.6
446.22949	1.6
461.25418	100.0
462.19589	0.9
462.25800	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2546
Annotation	Incisagenin
Peak:m/z	Relative Intensity
55.01871	0.8
56.01914	0.4
57.03436	0.7
58.66549	0.4
69.03462	2.9
69.71206	2.6
71.05022	0.6
73.02940	0.5
79.01892	1.2
81.03468	0.6
83.01396	0.5
85.06599	6.1
91.01694	0.4
93.92722	0.4
95.05012	0.6
97.02957	4.9
98.19782	0.7
101.87679	0.4
107.05030	0.6
109.03010	0.5
109.06606	5.5
111.04518	4.4
123.04486	0.8
135.04526	1.5
137.02422	0.6
151.04018	1.4
152.04814	2.1
152.14621	0.4
153.05588	52.2
154.05945	1.8
163.13753	0.4
165.01926	1.6
165.05537	0.7
179.03510	5.1
180.04280	12.8
181.04594	0.9
184.03693	0.5
193.05017	1.9
194.05811	5.2
205.12320	0.5
207.06619	6.1
208.07256	1.0
212.03253	1.6
219.13698	0.4
219.17514	0.9
221.08148	2.1
226.04834	0.4
226.40364	0.4
235.09770	0.8
236.10477	0.6
249.11287	2.3
263.12988	4.3
264.13654	2.2
275.20242	2.9
286.63556	0.5
317.17487	0.6
318.18365	1.5
319.19101	4.3
320.19370	0.6
331.19125	0.7
347.18451	0.5
399.13632	0.5
461.25467	100.0
462.25797	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01050	0.6
52.41228	0.5
55.01878	1.3
57.03447	1.2
58.00597	4.0
59.01382	75.6
60.01731	0.8
61.98825	5.0
64.96592	0.5
65.03951	0.5
67.01906	0.6
69.03465	6.4
69.45272	4.2
71.01385	73.3
72.01727	1.2
72.02113	0.7
72.99306	4.1
73.02952	16.2
74.24097	0.5
75.00879	3.7
79.01924	1.1
81.03461	3.1
83.01394	4.1
85.02957	8.2
85.10611	0.5
86.20290	0.5
87.00873	2.2
87.04519	0.7
88.98871	0.7
89.02449	100.0
90.02797	1.9
93.03475	0.8
95.01412	3.1
95.62725	0.5
97.02953	12.4
98.20658	1.0
99.00889	24.2
99.04527	1.9
101.02450	29.6
102.02800	1.1
103.85161	0.5
105.03455	1.0
107.01389	1.2
109.02964	0.9
109.74854	0.5
110.52439	0.6
111.00881	1.3
111.04520	1.2
113.02455	8.3
115.04033	5.0
119.03616	2.6
119.05032	12.2
120.05414	0.6
123.00881	0.6
123.04512	0.7
125.02454	39.6
126.02803	1.6
127.04058	0.8
131.03520	14.3
131.75873	0.5
133.02977	1.3
135.04523	0.8
139.03976	0.6
143.03505	4.2
147.11801	0.8
149.04561	34.3
149.09708	1.1
150.04906	1.2
151.00322	0.9
161.04570	3.3
165.01941	0.6
167.10782	21.7
168.11064	0.9
177.12872	1.2
179.03543	3.7
181.12352	1.3
191.05623	11.9
191.10788	2.6
192.05894	0.6
209.11790	2.9
221.06607	1.4
221.11856	3.0
233.06656	21.5
234.06999	1.2
239.13057	1.3
255.02945	4.2
256.03610	2.0
275.07840	0.7
283.02515	1.9
284.03262	48.7
285.03580	4.4
293.08795	28.9
294.09201	2.2
298.04828	2.6
299.05658	90.1
299.09146	12.6
300.06000	7.4
300.09406	1.3
439.77853	0.6
461.10864	17.5
461.20709	0.8
462.11179	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	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44391	0.6
57.03458	5.1
58.00582	1.9
59.01099	1.2
59.01385	20.8
61.98833	1.8
67.38419	0.5
70.13843	0.6
70.17665	2.1
71.01388	11.9
71.05018	1.0
72.99313	1.5
73.02952	6.2
74.02489	0.9
75.00871	1.2
79.95748	1.0
83.01392	1.7
85.02960	20.0
87.00882	1.2
87.94397	0.5
89.02461	3.1
91.49183	0.6
95.01350	0.9
95.05007	0.7
96.96008	3.5
97.02984	1.0
97.06583	0.7
99.00888	1.1
99.04523	2.0
101.02453	4.4
101.06096	1.8
101.52557	0.6
103.04022	34.4
104.04361	1.1
111.04527	0.7
113.02438	2.4
119.03517	0.9
123.58227	0.6
125.02486	4.2
125.06121	1.2
127.04047	1.0
134.03764	1.0
135.04536	68.5
136.04851	3.2
137.02483	0.8
139.04034	1.2
139.07631	0.9
141.01930	0.9
143.03529	0.6
145.05072	0.9
147.86189	0.6
161.04567	1.4
167.03572	1.4
167.14407	1.3
169.01402	0.6
179.14453	1.1
183.13937	6.6
191.14438	2.3
195.13905	7.0
197.15495	2.1
207.10260	1.9
207.13936	0.9
209.15512	4.0
213.14978	31.0
214.15279	2.1
225.11386	1.7
227.16583	9.2
237.14995	5.2
247.08182	0.9
254.80991	0.7
255.16022	6.6
265.09271	4.0
325.06052	4.7
329.19711	0.7
381.15598	1.5
390.08069	0.7
401.25473	1.3
443.24664	0.8
461.11548	14.0
461.24023	100.0
462.11548	1.5
462.24371	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	461.2548
Annotation	Incisagenin
Peak:m/z	Relative Intensity
50.38643	0.5
53.35539	0.5
54.93316	0.6
55.01874	1.7
57.03438	2.2
59.01363	0.7
69.03482	0.9
70.08672	2.2
71.05048	0.8
73.02942	0.7
74.48317	0.6
79.01901	3.4
81.03473	1.2
83.05038	1.2
85.02952	0.9
85.06596	8.6
94.39046	0.7
95.05034	3.0
97.02940	4.1
97.06590	0.7
107.05039	1.5
107.05728	0.6
109.06598	11.1
111.04519	7.8
114.64971	0.6
125.02419	1.2
135.04547	2.5
139.04012	0.7
149.09810	0.6
151.04008	1.3
152.04819	0.8
153.05588	78.2
154.05931	3.6
154.15807	0.6
165.01938	1.1
165.05510	0.8
179.03525	3.0
180.04276	3.4
193.04962	0.7
194.05809	2.5
195.06602	2.1
207.06720	1.4
219.17589	1.5
233.18958	1.0
249.11461	0.8
261.18561	0.6
275.20187	2.2
287.20218	0.7
289.10901	0.8
293.52209	0.6
311.09061	0.6
314.74103	0.6
317.17529	1.5
317.21295	0.7
331.19202	2.7
332.19775	0.8
347.18646	0.8
361.20053	1.0
361.23984	0.8
443.24359	1.5
461.25488	100.0
462.25842	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05696	0.3
55.01867	0.6
57.03459	0.8
58.00583	1.8
59.01382	45.8
59.98523	1.4
60.01704	0.5
62.30526	0.3
69.03464	2.4
69.45322	2.6
71.01387	50.7
72.01739	1.0
72.99308	2.3
73.02956	4.1
73.73863	0.3
75.00832	0.4
79.01897	0.8
81.03445	2.1
83.01392	2.0
85.02965	6.5
87.00880	2.2
89.02450	70.7
90.02786	1.3
95.01398	0.5
97.02954	3.6
98.03775	0.5
99.00898	0.7
99.04545	2.4
100.50896	0.3
100.88311	0.3
101.02451	11.4
111.00886	2.0
111.04572	0.3
113.02463	8.2
115.03996	0.4
119.03513	2.8
119.05032	1.8
125.02456	16.0
126.02785	0.3
127.03976	0.4
131.03511	17.4
135.04504	1.0
139.04019	0.7
143.03523	1.8
149.04561	20.0
150.04884	0.6
167.10779	100.0
168.11143	5.9
179.03513	1.8
191.05627	6.2
233.06653	3.4
293.08786	14.8
294.09164	0.9
299.09210	5.0
300.09818	0.4
430.62735	0.3
461.14539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03439	2.0
58.00597	2.5
59.01382	100.0
60.01709	1.5
69.58528	6.7
71.01386	34.9
72.99298	2.2
73.02956	1.5
83.01375	1.1
85.02962	6.6
87.00869	2.2
89.02449	56.8
95.01385	3.6
101.02445	22.4
113.02454	17.7
117.29138	1.0
119.03503	27.9
122.03741	1.8
123.00843	1.2
125.02424	3.7
129.05589	3.0
131.03510	3.5
139.07683	5.6
143.03474	5.0
147.06615	1.3
149.04555	1.7
161.04556	8.4
168.07910	2.8
169.01404	3.8
179.05614	23.4
179.07175	1.3
186.88292	1.1
191.10757	3.9
221.11717	1.5
309.11841	9.6
371.17017	2.2
401.18094	18.9
402.18210	3.1
461.03195	1.8
461.12592	16.2
462.12943	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01384	13.9
60.01706	0.5
61.98828	2.2
61.99149	0.5
62.64998	0.5
70.72240	0.5
71.01381	4.6
71.05028	12.2
72.99287	0.6
73.02956	1.9
75.00881	0.5
79.95744	0.6
85.02953	1.6
87.00893	1.0
89.02445	1.9
95.01393	0.6
99.04514	0.8
101.02492	2.7
107.01380	0.8
109.02953	0.5
111.00943	0.7
113.02451	2.4
117.05585	100.0
118.05961	2.9
120.99460	0.5
123.00898	12.1
124.01689	8.0
124.40552	0.5
125.02467	2.0
134.56921	0.6
137.02446	0.9
138.03229	4.0
139.00343	0.8
139.04027	5.0
140.01122	0.6
149.02403	0.5
151.00406	0.8
153.01923	1.3
161.02405	0.5
161.04584	1.9
169.01439	2.0
171.04591	0.7
171.23973	0.5
172.01750	0.8
178.88374	0.5
187.03946	0.7
197.04610	1.7
199.04042	0.8
200.98793	0.7
201.01932	0.7
201.99086	0.6
202.02649	0.8
211.02382	0.8
213.01923	0.9
214.02815	0.7
215.03510	1.0
222.52509	0.6
229.01442	0.6
231.03003	0.9
239.12949	2.3
241.94011	0.5
242.02139	0.7
243.02937	0.7
258.01709	2.2
259.02393	1.1
285.00479	0.8
285.97800	0.9
286.01062	0.8
287.01910	4.1
294.34329	0.6
300.99854	0.8
313.50845	0.6
314.00708	3.1
314.97949	1.3
315.01492	13.8
316.01752	1.1
445.77780	0.6
461.02982	1.2
461.16513	3.6
462.10324	1.5
462.17035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.8
57.03444	1.5
58.00597	0.8
59.01389	12.8
61.98838	10.6
70.75504	0.9
70.75840	1.1
71.01392	8.7
71.05019	3.2
79.01895	2.4
83.01418	1.2
85.02969	1.8
89.02464	8.0
91.05550	2.1
93.03496	0.9
94.86314	0.6
97.02951	1.8
99.04536	1.0
101.02448	1.9
107.05077	0.7
111.04536	2.8
113.02450	0.8
117.03603	0.8
123.04546	0.8
123.08153	0.8
125.02478	6.1
127.04031	1.3
134.03763	1.3
135.04543	17.7
136.01678	0.7
137.06061	0.8
139.04031	18.4
140.04274	0.8
149.02484	1.1
149.06113	1.0
150.03194	1.5
151.04036	2.9
152.04799	2.5
153.05609	3.2
163.04027	1.0
167.07141	2.1
177.01921	1.3
178.02737	5.8
179.03511	32.2
180.04283	9.0
192.04222	1.1
193.05089	9.1
194.05685	0.7
195.06635	1.4
197.04584	4.4
203.03491	0.9
207.03012	100.0
207.10310	2.0
208.03319	5.7
208.65135	0.6
211.06097	1.2
212.03267	1.0
221.04568	21.9
222.05272	5.4
225.11336	1.8
239.07230	1.0
253.04912	1.1
267.06610	5.4
268.07333	1.6
286.08514	8.0
287.08932	0.7
295.06116	4.7
296.06897	29.1
297.07343	3.1
301.10831	63.1
302.11154	8.0
311.09283	47.2
312.09674	5.7
328.05991	2.2
328.09314	1.2
329.10342	18.6
330.10602	2.1
433.14984	1.0
443.25385	0.8
461.20422	2.4
461.26364	8.8
462.26147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1459
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
55.01874	0.6
58.00589	0.5
59.01097	0.9
59.01385	16.2
59.98526	0.6
61.47285	0.4
61.98833	0.6
68.28925	0.5
69.03442	1.0
71.01389	17.2
72.99322	0.5
73.02540	0.4
73.02943	1.2
79.01900	9.5
80.02222	0.6
81.03464	0.9
82.07164	0.5
83.01397	0.7
85.02943	2.3
87.00893	1.0
89.02448	23.6
91.05556	2.7
93.03467	5.1
97.02949	1.5
101.02438	3.6
111.00882	1.1
111.04525	4.8
113.02467	2.9
119.05035	29.5
120.05365	1.2
125.02449	5.2
127.37782	0.5
131.03520	5.9
135.04541	15.6
136.04956	0.5
143.03488	0.6
145.02951	1.3
149.04578	7.6
150.03229	2.0
151.04015	2.1
153.05586	0.6
163.04063	0.8
164.04791	2.7
165.05640	0.5
167.10788	32.8
168.11145	1.2
171.13690	0.5
178.02724	0.7
179.03505	37.1
180.03851	2.1
183.35420	0.5
191.05659	2.3
192.04311	1.3
193.05061	3.9
197.04573	1.6
205.05089	4.6
224.03172	1.4
233.06606	0.8
257.08096	0.6
293.08841	4.6
299.09271	100.0
300.09589	10.0
445.51981	0.6
461.14557	30.6
462.14948	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	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58126	1.4
57.03452	100.0
58.00611	2.5
58.03798	2.4
59.01383	50.1
61.98838	2.1
66.60149	1.4
67.21806	1.4
67.94133	1.6
71.01388	17.1
72.99329	2.5
73.02959	2.9
75.00885	2.5
77.69386	1.1
79.42761	1.5
80.05695	1.2
81.03480	9.0
85.02953	3.9
89.02451	21.6
95.01406	3.1
98.19813	3.3
99.00877	1.5
99.04519	52.7
100.04848	1.9
101.02452	34.1
101.03089	2.9
102.02802	2.0
107.01413	3.3
113.02460	6.7
119.03516	6.8
123.00905	6.4
125.02454	29.6
125.03315	2.5
131.03490	1.6
136.98849	1.6
137.02481	2.7
139.00381	5.9
140.01175	2.5
151.00378	7.8
153.01920	2.2
153.05608	2.5
161.02420	1.8
161.04547	3.8
165.01955	16.0
166.02654	4.0
168.00662	3.8
168.04297	13.1
169.01437	22.0
176.01089	1.5
177.01950	1.6
179.05614	3.9
179.10786	1.8
180.04285	14.1
183.06628	39.9
183.08270	2.1
184.06993	1.6
191.03520	3.2
193.12296	1.9
195.06635	54.9
196.06955	3.3
202.34486	1.5
203.10768	1.6
211.02472	7.3
221.06592	2.0
221.11824	5.8
232.01723	1.4
243.08763	9.8
259.02539	1.8
271.04688	9.2
275.02039	4.8
295.60529	1.6
299.99179	5.7
300.99890	7.5
309.11801	2.4
313.05713	6.3
317.12354	2.0
343.00757	2.0
359.13440	5.7
399.16782	6.7
401.10852	4.4
401.18176	3.0
461.03879	7.1
461.11884	6.2
461.17667	34.3
462.03513	1.5
462.16852	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	461.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74240	0.4
55.01894	0.4
59.01374	1.1
68.93224	0.4
69.39689	2.4
69.40105	1.2
71.01393	0.4
79.01902	9.8
80.02233	0.4
91.05511	2.2
92.77933	0.4
93.03459	4.9
97.02953	0.5
101.02425	0.6
111.04533	3.4
119.05035	36.5
120.05369	1.5
123.00880	0.6
125.02428	0.7
135.04535	14.1
136.04871	0.4
145.02998	0.5
147.04543	0.5
150.03244	0.5
151.03999	1.7
153.05621	0.8
155.41551	0.5
161.06148	0.7
163.04034	0.9
164.04811	0.9
165.05463	0.7
169.01436	0.4
178.02687	0.4
179.03510	30.7
180.03864	1.5
192.04358	0.7
193.05051	4.4
197.04524	1.3
199.07603	0.5
201.49292	0.4
205.05103	3.3
224.03363	0.5
257.08194	0.7
299.09253	100.0
300.09598	10.8
328.48630	0.4
341.10406	1.1
461.10400	1.0
461.20035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71302	0.6
56.28830	0.6
57.03445	0.8
59.01383	6.3
71.01380	4.1
73.02931	1.2
81.03458	0.7
85.02960	2.0
87.00862	0.7
89.02428	1.0
90.06143	0.7
93.03471	1.5
93.97414	0.8
95.05040	1.2
95.93037	0.6
96.96017	3.0
97.02964	0.6
98.95568	0.8
101.02433	2.9
103.04015	3.0
109.02949	1.4
109.06586	0.8
113.02465	2.3
113.06124	0.7
117.03476	22.2
117.05586	1.3
118.03818	1.5
119.03610	0.6
119.05023	13.1
121.02967	1.2
122.03783	0.9
123.04532	81.4
124.04835	3.2
125.02464	3.6
137.02504	1.2
139.97820	0.6
140.07117	1.0
145.02959	100.0
146.03288	5.7
151.00401	1.1
152.01158	0.8
153.01958	2.7
153.05582	73.8
154.05917	3.2
159.04576	0.8
163.02699	1.2
163.04019	14.6
168.00613	1.5
169.01442	4.5
174.73042	0.6
177.01938	1.1
178.99831	1.5
179.03464	0.7
183.10249	0.8
187.04082	1.1
188.85944	0.5
189.84068	0.7
195.03027	1.2
203.07089	0.8
205.05029	0.8
207.10251	2.0
225.11310	1.7
247.06056	1.0
255.02834	1.1
255.05190	2.5
283.02463	1.2
297.06531	0.8
298.04837	5.8
299.05597	12.0
299.99130	5.9
300.05984	0.8
307.08240	71.0
308.08615	7.0
309.08466	1.2
315.01416	5.5
315.10843	1.3
316.01752	0.9
329.05048	1.1
331.31186	0.7
357.02652	2.1
381.15179	1.1
461.10770	5.2
461.15060	1.9
461.20508	2.7
462.11957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1473
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
53.71302	0.6
56.28830	0.6
57.03445	0.8
59.01383	6.3
71.01380	4.1
73.02931	1.2
81.03458	0.7
85.02960	2.0
87.00862	0.7
89.02428	1.0
90.06143	0.7
93.03471	1.5
93.97414	0.8
95.05040	1.2
95.93037	0.6
96.96017	3.0
97.02964	0.6
98.95568	0.8
101.02433	2.9
103.04015	3.0
109.02949	1.4
109.06586	0.8
113.02465	2.3
113.06124	0.7
117.03476	22.2
117.05586	1.3
118.03818	1.5
119.03610	0.6
119.05023	13.1
121.02967	1.2
122.03783	0.9
123.04532	81.4
124.04835	3.2
125.02464	3.6
137.02504	1.2
139.97820	0.6
140.07117	1.0
145.02959	100.0
146.03288	5.7
151.00401	1.1
152.01158	0.8
153.01958	2.7
153.05582	73.8
154.05917	3.2
159.04576	0.8
163.02699	1.2
163.04019	14.6
168.00613	1.5
169.01442	4.5
174.73042	0.6
177.01938	1.1
178.99831	1.5
179.03464	0.7
183.10249	0.8
187.04082	1.1
188.85944	0.5
189.84068	0.7
195.03027	1.2
203.07089	0.8
205.05029	0.8
207.10251	2.0
225.11310	1.7
247.06056	1.0
255.02834	1.1
255.05190	2.5
283.02463	1.2
297.06531	0.8
298.04837	5.8
299.05597	12.0
299.99130	5.9
300.05984	0.8
307.08240	71.0
308.08615	7.0
309.08466	1.2
315.01416	5.5
315.10843	1.3
316.01752	0.9
329.05048	1.1
331.31186	0.7
357.02652	2.1
381.15179	1.1
461.10770	5.2
461.15060	1.9
461.20508	2.7
462.11957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99819	1.5
57.03449	54.9
58.00596	2.4
59.01379	100.0
60.01717	2.4
69.33557	7.1
69.33990	5.9
69.48797	1.4
71.01379	39.4
72.99309	5.1
73.02943	4.1
81.03455	3.7
83.01377	3.7
85.02950	7.9
87.00889	4.3
87.16171	1.3
89.02443	55.0
95.01408	5.9
97.02968	1.7
99.00858	2.2
99.04519	27.0
101.02447	34.4
107.01390	5.9
109.02951	1.4
111.00878	2.1
111.04541	2.1
113.02464	18.9
114.07822	1.5
117.05571	1.7
119.03516	21.7
123.00878	10.8
125.02441	26.5
129.05603	6.6
131.03551	2.2
137.02411	3.3
138.05598	1.8
139.00351	5.3
139.04012	3.0
139.07672	4.6
140.01146	2.7
141.01999	2.8
143.03516	5.1
147.06648	4.2
149.04539	2.8
151.00369	8.5
153.01999	2.0
153.05588	2.6
161.04573	8.4
164.03508	1.8
165.01918	9.0
167.03532	1.8
168.00636	4.6
168.04262	4.9
169.01419	29.7
173.02385	1.8
175.03993	1.5
179.05615	20.9
180.04300	7.0
181.04996	2.1
183.06612	16.6
184.06870	1.6
191.03528	2.3
191.10808	3.0
195.06616	25.0
196.06892	2.2
201.01938	2.2
203.03394	1.4
205.03296	1.6
211.02444	16.7
221.11868	2.7
229.01512	2.1
232.28952	1.5
239.13002	2.4
243.08733	9.4
245.00797	2.0
252.01637	1.6
257.00845	1.5
271.04611	18.3
275.01978	5.9
299.99130	2.2
300.99915	6.2
309.11923	31.5
310.12238	3.2
313.05588	2.7
331.06693	2.0
349.83762	1.6
359.13589	1.9
371.16971	2.6
399.16263	4.1
401.10828	2.6
401.12991	2.1
401.18140	18.1
402.18521	3.3
443.11984	2.4
461.03107	4.5
461.12079	58.2
461.17581	8.4
462.13309	6.0
462.18234	1.8
464.42642	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	461.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36444	0.5
57.43339	0.6
59.01239	3.7
59.01572	2.4
60.14723	0.6
63.97453	0.5
67.01749	0.7
71.01215	5.1
71.01666	2.2
72.99179	1.0
73.02843	0.9
79.01756	1.0
83.01286	1.4
85.02763	2.3
87.00742	1.2
89.02248	1.9
93.03310	0.7
95.01231	1.7
95.01768	0.6
97.02832	0.6
98.52682	0.6
99.00702	2.2
101.02266	3.2
107.01204	5.7
111.00715	2.0
111.04398	0.8
113.02303	1.9
123.00700	12.0
123.01662	1.0
124.01498	2.8
125.02254	30.6
125.03270	2.4
126.02678	1.0
127.00269	1.1
136.98640	2.1
137.02357	1.1
139.00183	4.7
139.03867	1.3
140.00964	3.8
141.01788	1.5
147.06628	2.8
151.00389	8.8
152.00565	0.6
154.94585	0.6
154.99686	0.8
165.01816	1.4
167.03296	2.0
168.00638	12.8
169.01434	54.2
169.02777	2.2
170.01569	2.4
211.02490	56.0
212.02777	3.0
223.02731	0.6
229.22029	0.7
229.55580	0.6
241.03481	1.8
253.03532	0.9
270.20978	0.6
271.04593	100.0
272.04889	7.1
275.93085	0.6
300.99911	1.0
309.11829	1.0
313.05841	4.7
314.06494	0.6
331.06705	27.0
332.07190	2.6
390.35513	0.6
402.17004	0.6
436.79633	0.7
441.93161	0.7
461.13647	69.5
462.13879	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38803	0.5
59.01135	0.7
59.01385	8.8
60.15618	0.5
61.98831	2.2
69.43170	2.5
69.43570	1.8
71.01388	2.5
72.51535	0.5
73.02953	0.9
75.00873	0.7
85.02956	1.6
89.02458	1.8
95.01416	0.6
96.96007	2.1
99.04535	0.8
101.02440	2.2
109.02956	0.9
113.02435	1.6
117.03526	0.8
121.02941	2.1
123.00864	0.7
123.04494	0.7
125.02449	1.8
133.02968	1.0
136.01712	0.6
137.02429	1.4
143.08139	0.6
149.02495	1.0
153.01953	3.6
153.09233	0.7
165.01894	3.6
168.00645	2.2
169.01433	2.0
177.01964	1.3
179.03581	0.9
181.12317	1.5
183.02969	0.6
191.13618	0.6
193.01428	0.8
197.06038	1.8
207.13879	0.7
225.05634	1.0
225.11243	1.8
227.07133	1.7
236.10120	0.6
241.05064	56.7
242.05408	4.3
243.06499	1.0
250.68044	0.7
253.05075	1.0
255.03018	1.3
269.04553	80.1
269.13904	4.4
270.05057	13.4
271.02490	2.0
271.05676	1.4
285.04095	2.5
298.04828	55.0
299.02014	1.5
299.05508	20.9
299.09027	1.3
299.99014	1.3
300.05981	0.7
314.04117	3.7
315.01813	0.8
315.05069	3.6
461.10907	100.0
461.19974	6.8
462.11362	12.5
462.17862	0.8
462.20786	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	461.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03426	1.0
59.01382	12.4
67.01892	1.0
71.01390	9.8
72.99310	1.5
79.01884	0.8
82.47135	0.7
83.01403	1.5
83.41196	0.8
85.02943	2.9
87.00864	0.9
89.02454	5.9
89.61255	0.8
95.01379	3.0
97.02945	1.4
98.63858	0.9
101.02430	4.2
107.01401	8.4
111.00873	4.1
113.02457	3.6
116.92886	0.9
119.03490	2.0
123.00905	11.8
124.01704	2.3
125.02457	42.3
126.02785	1.5
129.01952	1.1
136.98775	1.4
137.02449	1.2
139.00372	5.7
139.03931	0.8
140.01187	3.7
141.01917	1.7
147.06613	1.2
151.00389	9.6
165.02008	1.4
166.99803	1.2
167.03506	1.8
168.00644	14.4
169.01433	65.8
170.01784	2.9
211.02486	57.5
212.02846	3.7
241.03456	2.7
253.03221	0.9
260.03156	0.8
271.04593	80.0
272.04977	7.8
309.11792	1.3
313.05627	6.7
331.06714	10.1
332.06924	1.1
371.22827	0.8
425.06992	0.9
461.08755	100.0
462.09174	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	460.234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15156	2.1
61.98832	100.0
71.44516	4.2
96.64812	1.9
98.03878	2.0
104.44815	2.0
106.46813	1.8
110.77556	1.9
139.92360	2.5
216.35716	2.2
217.60013	2.2
222.90027	2.4
234.69084	2.1
378.23776	2.3
431.81592	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	460.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
66.68762	2.5
68.86761	1.8
70.55312	2.3
86.95756	2.5
102.53751	1.9
130.14052	2.0
193.52216	2.0
223.64822	2.0
292.34225	2.1
311.51309	1.9
439.37296	2.1
445.59937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0729
Annotation	3'-mono-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
54.80145	0.2
59.01390	0.9
69.47457	1.5
69.47855	0.5
71.01387	0.4
84.39864	0.2
98.19913	0.5
109.02971	0.7
119.04989	0.3
145.02925	0.4
151.00310	0.2
153.01971	0.8
168.00633	0.5
169.01436	0.7
172.01761	0.4
183.10228	0.4
185.09940	0.2
199.20920	0.2
200.01093	0.5
216.00677	1.2
228.00621	0.3
242.99319	1.1
244.00072	1.2
270.98877	4.6
271.02374	0.6
271.99557	0.6
287.01956	0.4
293.36316	0.3
298.98364	4.0
299.99103	100.0
300.99463	9.5
314.00726	1.4
315.01462	98.5
316.01831	10.0
317.02917	0.7
461.07208	23.8
461.20050	1.2
462.07587	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	461.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38229	0.4
59.01374	2.1
62.92037	0.4
63.72625	0.4
65.00290	0.5
69.31770	2.3
69.32197	1.6
71.01369	1.2
75.00855	1.3
82.59438	0.4
89.02407	0.6
98.20632	1.0
101.02436	0.9
107.01376	1.2
109.02913	1.5
119.04943	0.5
123.00837	0.7
124.01611	0.6
125.02428	2.1
137.02448	2.5
139.11296	0.7
145.02934	0.7
151.00377	4.6
153.01898	1.3
160.01648	0.5
161.02353	0.6
165.01801	0.5
169.01440	2.7
178.99899	2.8
183.10277	0.7
188.00906	0.4
207.10422	0.5
214.02774	0.5
216.00586	0.5
225.11301	0.9
241.01353	0.4
242.02155	0.6
242.29897	0.5
242.99423	0.5
243.02835	0.5
244.00050	0.8
259.02539	0.5
270.01718	1.3
270.98840	4.7
271.02417	3.0
271.99472	0.8
285.00522	0.7
287.01953	1.6
298.98386	5.0
299.01755	0.8
299.25986	0.4
299.99106	100.0
300.99469	8.8
312.99863	1.3
314.00711	1.3
315.01462	82.8
316.01950	14.6
317.03000	12.7
318.03299	0.7
461.07294	29.1
462.07724	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
70.10834	0.3
71.61743	0.3
85.02950	0.4
105.22556	0.3
110.10783	0.3
149.06093	0.4
177.05603	0.6
258.06259	0.3
298.78397	0.2
371.22235	1.0
396.18106	0.3
399.21585	0.6
415.24899	0.7
431.24734	0.3
459.38455	100.0
460.38831	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	460.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36526	1.2
57.03441	4.1
59.01378	10.3
61.98833	19.3
68.99808	1.8
69.50837	5.1
69.51254	3.3
71.68298	1.2
83.01379	1.6
85.02953	27.0
85.28868	1.2
87.00893	9.0
97.03028	1.0
98.19901	2.5
98.75701	1.2
109.02992	1.5
113.02469	5.8
114.08358	1.1
123.04556	3.6
123.08122	1.2
125.02458	21.9
141.01958	4.6
151.00374	1.6
163.07652	1.6
165.05637	2.0
167.03511	2.6
175.13681	1.2
259.20676	1.2
285.22314	2.2
301.21725	5.9
310.47513	1.2
371.22314	3.7
372.22659	13.6
373.23837	100.0
397.19928	2.1
399.25418	2.4
400.21338	1.4
401.23343	12.9
442.23233	2.9
443.24399	23.9
459.34866	1.9
460.34827	6.7
461.25363	1.9
461.32748	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	460.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.5
59.01384	13.3
61.98840	26.6
69.59291	9.9
79.01962	1.5
83.01391	4.3
83.05032	1.8
85.02962	33.0
87.00883	11.3
94.31171	1.4
98.19907	1.5
109.02966	3.2
113.02445	6.7
113.06108	1.5
120.85345	1.7
123.04511	5.5
125.02452	32.9
127.04012	1.8
137.06137	1.6
139.04019	3.2
141.01938	4.5
141.05537	1.9
152.99506	1.9
153.01959	2.1
153.05589	2.7
158.23599	1.4
165.05553	4.2
167.03508	11.8
181.05176	2.8
199.06071	1.7
205.05112	2.6
218.06377	1.5
237.11168	1.9
291.16074	2.0
301.21695	5.9
335.14908	2.3
357.87402	1.6
361.23618	2.0
371.22220	6.8
372.22562	29.0
373.23822	100.0
397.20007	4.6
401.23279	15.9
415.21213	6.6
442.23007	6.8
443.24365	25.6
459.34607	5.9
460.27524	6.5
460.35046	8.7
461.24268	2.3
461.29178	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	460.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.47729	1.0
66.74123	1.1
71.76043	1.2
72.68674	1.0
95.05015	1.1
106.10386	1.2
116.61388	1.1
118.89484	1.1
139.04030	1.3
397.23834	15.2
398.24136	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	460.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
67.47128	1.1
68.67156	1.3
69.71883	5.8
92.83636	1.1
116.66539	1.5
139.04001	1.7
163.65698	1.5
249.11113	1.2
301.75525	1.3
315.43063	1.4
397.23779	19.3
398.24323	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	459.3121
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01363	1.3
61.98826	1.1
63.18282	1.0
66.76730	1.0
69.66849	2.6
69.67254	5.5
70.16223	0.9
71.05022	5.3
75.76562	1.3
83.05064	2.0
85.02966	1.3
97.06617	1.6
98.19885	2.2
99.04513	3.8
100.44324	1.0
109.02953	3.8
109.06604	2.1
111.04521	1.5
123.04539	1.5
125.06084	1.5
127.04001	6.4
151.03954	4.2
152.04832	1.4
153.05553	3.2
167.03513	1.2
267.92877	1.1
276.59726	1.0
331.26321	2.2
353.61703	1.1
397.31161	2.0
399.29160	6.4
400.29443	2.0
403.28452	4.0
413.30582	3.4
414.30771	1.4
415.35855	3.9
417.30371	1.7
441.30118	23.7
442.30432	2.7
444.28802	2.4
459.31161	100.0
459.37125	3.6
460.31427	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	459.3486
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
54.97357	0.3
55.01866	0.8
57.03432	0.4
61.68361	0.3
67.65443	0.4
70.00786	0.4
71.24412	0.4
74.27505	0.3
74.97045	0.3
79.01904	2.0
81.03476	0.6
87.04516	1.6
92.64811	0.4
97.02921	0.4
97.06551	0.4
99.08164	3.0
107.05012	0.9
111.04516	0.5
119.31734	0.4
121.06612	0.8
123.08180	8.9
124.08511	0.6
135.04576	0.7
149.06091	1.4
152.04778	0.6
163.07588	0.7
167.07146	9.7
179.03470	0.5
193.05051	1.2
193.27242	0.4
262.77423	0.4
278.18903	0.4
309.28253	0.4
333.28091	1.5
345.31586	2.8
346.32144	0.4
373.34796	0.4
397.34814	0.4
415.35831	32.4
416.36166	5.7
441.33563	0.9
459.34827	100.0
460.35181	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	459.3845
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
61.98839	4.1
69.44920	2.1
86.12576	0.3
98.20576	0.5
113.50471	0.3
125.02495	0.5
135.04553	0.4
136.05315	0.9
136.66002	0.3
137.06078	0.7
138.03220	0.4
151.04005	0.5
152.04813	6.1
163.04018	0.6
164.04774	0.8
165.05574	2.8
167.07220	0.3
175.03984	0.5
175.07663	0.3
176.04825	0.7
177.05609	1.0
178.06337	0.8
188.04770	0.5
189.05545	0.6
189.09311	0.3
202.06361	0.9
203.07161	3.0
213.09152	0.3
217.08749	1.2
218.09476	2.9
339.48203	0.2
373.19913	0.6
428.04776	0.3
431.31750	1.2
441.30145	0.7
444.28711	1.0
445.28717	0.3
459.31238	35.4
459.38403	100.0
460.31583	6.3
460.38779	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	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.98837	0.7
62.76585	0.3
65.77087	0.3
69.57249	2.2
107.05038	31.9
108.05363	0.8
112.04686	0.4
129.15266	0.5
141.29871	0.3
163.11293	100.0
164.11624	5.8
206.68155	0.3
276.16660	0.3
280.14792	0.7
283.17047	27.1
284.17410	2.9
295.17035	12.8
296.17316	1.9
319.40228	0.4
352.82050	0.4
387.48175	0.3
415.35880	0.6
459.29059	74.3
460.29404	15.7
460.35931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3118
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
55.01882	0.6
59.12962	0.5
61.98823	2.0
63.78323	0.5
69.89002	1.3
69.89391	1.6
109.02979	0.8
113.89993	0.6
123.04552	0.6
135.04536	1.8
136.05283	2.4
137.06064	1.7
138.03235	1.5
139.04013	0.8
149.06113	0.8
150.03227	0.6
151.03967	2.3
152.04803	17.9
153.05508	1.0
163.03993	1.2
163.07687	0.6
164.04782	3.2
165.05562	8.2
165.18970	0.5
167.07103	0.9
175.03963	1.3
176.04770	1.3
177.05554	3.4
178.06346	3.0
185.06102	1.4
189.05551	1.7
189.09201	1.1
202.06331	2.3
203.07147	10.3
204.07715	0.7
213.09238	0.8
217.08656	3.8
218.09520	9.0
219.09889	0.8
229.46100	0.5
231.10159	0.9
387.25262	0.9
399.21527	0.8
413.23370	0.9
423.10217	0.9
431.31702	4.5
432.31815	1.1
441.30048	1.7
444.28812	2.9
459.31134	100.0
459.38330	95.6
459.44220	2.0
460.25082	1.2
460.31433	19.4
460.38708	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2756
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
57.03452	2.3
57.30767	0.6
59.01371	3.3
61.98837	17.0
71.01402	1.1
71.05023	4.2
71.61337	0.7
73.44498	0.7
79.01917	1.9
81.03476	2.4
83.01373	1.3
83.05040	4.3
85.02943	3.2
85.06590	1.0
95.05019	2.1
97.02954	1.1
97.06561	1.6
99.04523	1.4
99.08157	2.0
99.92579	1.0
100.66216	0.7
107.05054	1.9
109.02948	3.3
109.06580	3.6
111.00766	0.8
111.04521	1.7
121.55309	0.8
123.04523	2.9
123.08160	5.0
124.01643	1.1
125.02478	8.3
125.06075	3.4
127.04012	1.8
135.04530	1.1
137.02397	1.3
137.06111	0.7
139.04041	7.8
141.05574	1.1
149.06062	2.5
151.00410	1.6
151.04036	4.5
152.01134	0.8
152.04741	2.0
153.01868	0.7
153.05588	2.6
155.09935	0.8
165.01979	1.3
165.05565	1.4
166.02747	2.0
166.06310	0.9
167.03458	2.7
167.05814	1.1
167.07156	13.7
177.09276	1.0
178.02762	1.0
179.03531	8.5
183.03008	0.8
188.66066	0.7
193.05048	6.0
194.05827	8.3
195.06305	0.8
203.04996	0.7
205.89481	0.7
207.06618	2.3
208.07417	5.3
219.17586	0.9
221.08229	7.5
222.08766	2.1
226.04834	2.4
233.15556	1.3
235.09756	2.8
240.06387	0.8
247.20694	1.2
263.12857	4.2
275.09482	0.7
277.14471	2.9
278.15125	0.9
289.21768	4.6
312.16614	0.7
317.17526	1.7
318.23581	0.8
333.17075	1.6
333.20734	2.1
345.16913	0.9
353.25198	0.8
371.22290	1.0
397.20160	9.9
399.21841	8.6
401.23370	2.6
423.27521	3.3
441.22647	3.1
442.23544	2.2
459.28055	100.0
460.28418	17.2
474.22504	1.0
482.26532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2755
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
54.36623	0.4
55.01882	1.1
57.03453	2.9
59.01380	2.5
61.98827	1.8
68.99821	0.7
69.03445	0.6
70.75990	1.1
71.01395	0.6
71.05029	0.9
73.02950	2.0
79.01921	1.8
81.03481	1.1
82.89509	0.4
83.05037	0.8
85.02945	3.6
85.06618	1.7
87.00888	1.2
87.04534	0.8
95.01423	0.6
95.05046	1.2
97.02974	0.8
97.06612	1.8
98.54337	0.4
99.04513	0.4
99.08168	4.8
107.05061	0.7
109.02966	0.9
109.06680	0.5
111.04551	1.2
113.02441	0.9
121.06631	1.3
123.04543	0.7
123.08170	14.7
124.01702	0.4
124.08538	0.7
125.02467	1.6
125.06104	0.9
125.09738	1.0
127.04095	0.7
137.09731	0.4
138.03345	0.5
139.04025	2.0
139.07666	0.4
140.04398	0.5
141.01956	0.5
149.06113	1.1
151.03957	0.6
152.04832	1.6
153.01912	0.5
153.05583	2.8
163.07687	1.0
164.67900	0.4
165.05623	0.7
166.02684	0.5
166.06334	0.5
167.03529	1.2
167.07143	42.3
168.07466	2.1
177.09203	0.6
179.03482	2.3
180.04330	0.6
189.05669	0.5
193.05054	2.5
194.05818	2.6
207.06676	1.5
208.07494	1.8
219.14091	0.5
221.08217	2.5
235.09738	1.0
263.12927	1.0
277.14413	0.7
277.21762	0.5
281.17850	0.4
287.20117	0.7
301.21933	0.7
315.23413	0.7
331.19278	0.8
341.24829	5.5
342.25250	0.6
345.21094	0.6
353.25000	0.5
371.22241	10.6
372.22736	1.6
375.21921	1.5
377.23502	2.1
385.20233	1.4
385.24323	0.8
397.20016	0.9
399.21600	2.4
415.24680	1.1
441.22574	3.1
442.23328	0.8
459.27731	100.0
459.34845	9.1
460.28119	17.4
460.34833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70196	0.6
55.01879	0.5
59.01382	5.9
61.98818	0.6
66.22954	0.5
67.01894	1.0
69.55322	3.5
69.55719	0.8
71.01387	3.6
72.99339	1.4
73.02950	1.6
79.01912	1.1
83.01392	1.4
85.02953	2.8
89.02458	1.5
95.01403	2.1
97.02965	1.1
98.19859	0.7
99.08177	2.0
101.02457	3.9
107.01385	3.8
111.00882	3.3
113.02483	1.8
115.07628	0.6
117.05617	1.1
119.03458	0.6
123.00883	17.1
124.01679	0.7
125.02463	14.6
126.02786	1.0
127.00404	0.9
135.04549	1.6
136.98862	1.6
139.00392	5.4
140.01155	4.0
141.01915	2.2
145.08731	4.0
151.00385	11.1
153.01898	0.8
161.02499	1.6
163.04018	0.5
168.00665	5.4
169.01437	20.0
170.01733	0.7
205.04900	0.6
211.02477	1.1
271.04663	0.7
307.14093	5.0
313.05869	0.6
459.18927	100.0
460.19327	13.3
467.43793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01017	0.6
59.01382	8.2
61.98853	1.3
67.01900	2.0
69.03468	1.2
71.01392	6.1
71.16034	1.1
72.99327	1.4
73.02978	1.6
79.01894	1.2
83.01383	1.4
85.02947	2.9
87.00912	0.9
89.02460	1.7
95.01424	2.6
96.96013	4.8
97.15118	0.6
98.95617	2.1
99.00925	1.2
101.01841	0.9
101.02452	4.7
101.75405	0.6
107.01398	4.1
110.72742	0.6
111.00896	3.2
113.02449	1.6
117.05618	1.2
117.24847	0.7
120.99651	0.8
121.02935	0.9
123.00898	17.9
124.01762	0.8
125.02451	20.5
126.02764	0.8
136.98857	2.1
139.00385	8.4
140.01195	5.4
141.01971	2.5
148.96594	0.6
151.00383	14.0
153.01955	1.0
163.04033	0.9
168.00636	5.4
169.01440	23.3
170.01886	1.0
193.01451	0.9
211.02608	1.6
271.04755	1.1
307.14075	0.9
313.05850	1.1
321.90881	0.7
335.15015	0.7
379.14258	1.4
459.19012	100.0
460.19354	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	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01017	0.6
59.01382	8.2
61.98853	1.3
67.01900	2.0
69.03468	1.2
71.01392	6.1
71.16034	1.1
72.99327	1.4
73.02978	1.6
79.01894	1.2
83.01383	1.4
85.02947	2.9
87.00912	0.9
89.02460	1.7
95.01424	2.6
96.96013	4.8
97.15118	0.6
98.95617	2.1
99.00925	1.2
101.01841	0.9
101.02452	4.7
101.75405	0.6
107.01398	4.1
110.72742	0.6
111.00896	3.2
113.02449	1.6
117.05618	1.2
117.24847	0.7
120.99651	0.8
121.02935	0.9
123.00898	17.9
124.01762	0.8
125.02451	20.5
126.02764	0.8
136.98857	2.1
139.00385	8.4
140.01195	5.4
141.01971	2.5
148.96594	0.6
151.00383	14.0
153.01955	1.0
163.04033	0.9
168.00636	5.4
169.01440	23.3
170.01886	1.0
193.01451	0.9
211.02608	1.6
271.04755	1.1
307.14075	0.9
313.05850	1.1
321.90881	0.7
335.15015	0.7
379.14258	1.4
459.19012	100.0
460.19354	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	459.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35482	0.4
55.21007	0.4
57.00227	0.4
57.03451	1.2
59.01374	0.8
62.31784	0.5
67.40392	0.5
67.98242	0.4
69.42822	1.2
69.43246	2.1
71.05025	3.9
76.91351	0.4
79.01869	0.7
81.03461	1.3
83.01398	0.8
83.05032	1.8
84.99513	0.4
85.02930	0.7
85.06590	0.8
95.05075	0.6
97.02965	0.6
99.04521	1.9
99.74768	0.4
107.05010	1.0
109.02950	2.7
111.04523	1.0
122.03752	1.0
123.04550	2.5
124.05309	9.5
125.02451	6.0
125.06136	0.8
127.04017	6.5
137.02374	0.5
138.03210	0.9
141.01990	1.1
149.02336	0.7
149.06071	0.6
150.03206	1.0
151.00377	2.0
151.04042	3.2
152.04805	2.7
153.01950	10.8
153.05574	6.3
154.02461	0.6
163.04066	1.0
164.04768	1.8
165.05484	0.7
165.12823	0.5
166.02696	0.9
167.03508	13.8
168.03799	0.5
169.05060	0.8
176.77426	0.4
177.01860	0.5
177.05551	1.6
178.02708	7.0
178.06276	0.4
179.03470	1.2
179.07161	0.5
180.04288	0.7
181.05069	1.7
186.01810	0.6
191.03596	0.7
191.07155	2.5
193.05093	0.5
196.03819	1.1
196.54645	0.4
205.05074	5.8
206.05598	0.8
207.06506	0.7
207.13867	0.4
209.08170	2.3
210.05446	0.8
219.06625	0.7
219.10254	1.4
223.06099	1.4
223.09770	1.9
233.11821	1.0
237.07579	1.1
237.11322	12.7
237.15053	0.6
242.04329	0.7
247.09706	1.2
261.11334	1.9
262.12103	1.7
263.12894	2.9
265.10788	1.2
273.14932	1.8
274.15524	0.6
275.16431	0.8
279.12360	2.4
288.17380	1.1
289.18103	1.3
291.16074	6.1
292.16522	0.7
301.14450	0.6
316.16946	2.2
317.17612	3.3
331.19211	0.6
334.17764	1.3
347.18631	0.9
366.16739	1.0
399.21375	1.0
403.21222	1.3
413.23080	0.5
415.24948	0.7
417.22607	0.7
441.22910	7.3
442.23178	1.1
459.23883	100.0
460.24216	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60374	0.7
59.01188	9.7
59.01526	16.6
69.03573	0.6
71.01107	3.4
71.01551	9.4
72.99090	0.5
72.99431	1.0
73.03079	1.1
73.66690	0.6
75.72051	0.6
83.01115	0.6
83.01533	1.5
85.02576	1.0
85.03147	3.1
87.01050	1.6
89.02018	2.7
89.02635	11.5
91.02080	0.6
95.01011	0.6
95.01551	1.8
97.59084	0.6
98.19875	2.2
99.01058	0.7
99.07638	2.5
99.08353	13.0
100.08653	0.6
101.01905	1.8
101.02641	10.7
106.07953	0.5
107.00808	1.1
107.01577	3.8
111.00986	0.8
111.84443	0.5
113.02660	5.0
114.88280	0.5
119.03714	5.3
123.01100	5.6
124.01851	0.8
125.02653	14.6
126.02943	0.7
127.07862	4.0
129.09366	1.5
129.76968	0.7
135.04689	1.3
136.99010	0.7
138.99597	0.7
139.00575	2.1
140.00371	0.6
140.01358	1.8
141.02136	0.8
141.09364	1.5
142.73019	0.6
143.03609	1.1
143.07294	0.8
145.07111	1.8
145.08914	52.4
146.09210	1.8
151.00372	2.9
161.02602	0.8
161.04674	1.1
163.11467	1.9
168.00655	4.0
169.00067	1.0
169.01428	21.3
179.05824	0.7
187.09935	2.3
211.02522	8.9
211.04301	0.9
219.13989	0.7
235.08275	1.6
271.04578	7.6
272.04968	0.8
272.49924	0.6
282.46570	0.6
307.13980	79.9
308.14447	6.5
313.05527	2.9
318.50821	0.7
459.14612	100.0
460.14810	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28313	2.1
54.71634	2.5
55.01886	2.2
57.03440	2.6
59.01385	49.8
61.98849	2.6
65.00331	2.5
69.50265	17.3
71.01392	29.7
72.99303	5.1
73.02950	8.4
73.31361	2.2
75.00870	2.7
83.01382	4.6
85.02958	13.1
87.00876	3.3
87.16969	2.5
89.02451	24.5
95.01392	4.3
96.95959	4.2
97.02953	2.3
99.08171	21.2
101.02454	21.8
107.01398	8.3
111.00898	5.1
113.02457	15.7
117.05579	5.0
119.03511	8.8
121.02954	2.5
123.00897	23.3
124.01658	3.3
125.02459	43.5
127.07674	4.7
129.09225	2.9
130.52045	2.7
136.98825	2.0
137.02463	2.7
139.00359	7.8
140.01169	6.1
141.01985	4.7
143.07208	1.9
145.03084	2.6
145.08716	81.6
146.08940	2.7
151.00378	14.5
157.63541	2.1
161.04591	2.7
166.05060	4.8
168.00650	13.3
169.01430	51.1
211.02484	14.7
271.04611	10.0
273.04654	2.3
307.13986	100.0
308.14340	6.8
313.05664	5.8
331.06448	2.2
341.08975	4.1
350.92795	2.8
450.99167	2.2
459.14703	88.1
459.19095	81.3
460.14786	11.5
460.19373	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	459.1302
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.14772	0.2
54.47215	0.2
59.01380	3.9
61.98828	0.5
68.86157	0.3
69.49301	0.6
69.49722	1.4
71.01383	1.1
73.02962	0.4
79.01889	0.9
83.01406	0.4
85.02986	0.4
89.02448	1.1
96.52715	0.3
96.95986	0.3
101.02451	0.7
101.25278	0.2
107.05022	0.8
108.02181	0.4
111.04482	0.3
113.02452	0.3
117.03461	3.2
117.05553	0.6
119.03476	0.3
119.05016	1.0
125.02473	0.4
134.03751	0.8
135.04485	1.0
136.01665	0.7
137.02441	0.3
145.02962	3.0
149.02400	1.7
150.03140	0.4
151.00339	0.3
151.04089	0.4
153.69489	0.3
162.03215	0.4
163.04001	0.5
165.09264	1.4
169.01352	0.3
175.03990	2.6
177.01915	1.5
177.05557	0.5
178.02582	0.5
179.03508	1.2
186.03239	0.5
198.15340	0.2
205.04584	0.3
223.07726	0.5
224.08275	0.3
225.05606	0.6
227.07159	0.8
237.05525	0.4
239.07104	0.9
240.07826	0.4
251.07137	0.5
253.05055	1.0
267.06647	5.2
268.07312	1.6
279.06769	0.4
281.04660	0.3
295.06119	16.4
296.06891	100.0
297.07462	16.8
298.08203	0.7
307.08359	0.6
328.05862	0.3
459.12961	75.4
460.13284	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	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37193	0.7
59.01366	1.6
68.23799	0.8
71.01404	1.7
73.02953	38.3
75.00870	1.0
85.02935	1.0
91.80087	0.7
99.00898	5.8
101.02501	1.0
107.01395	0.9
108.02200	1.2
110.42109	0.7
113.02425	1.1
116.92876	8.5
117.01950	100.0
118.02282	1.6
118.05142	1.0
123.00890	2.2
125.02448	6.8
139.00362	0.9
149.40289	0.7
151.00392	0.9
152.01068	1.1
168.00615	1.3
169.01436	9.2
181.17888	0.8
211.02451	4.9
223.79892	0.8
271.04648	7.6
285.06149	2.0
307.92624	0.8
313.05875	0.8
331.06705	1.4
423.75363	0.9
459.11172	16.1
460.11826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1301
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03434	0.8
59.01381	6.5
61.98804	1.9
67.31708	0.7
69.03378	0.5
69.43542	4.5
71.01357	1.8
71.04980	0.7
73.02946	0.7
79.01919	0.5
83.04984	0.6
85.02895	0.6
87.00915	0.5
89.02425	1.3
96.53568	0.5
96.96005	1.2
97.02935	0.6
101.02424	0.5
119.03434	0.6
123.00781	0.6
123.04546	3.5
125.02388	1.9
127.04044	0.6
129.96742	0.5
133.03001	2.9
135.04488	0.7
139.03984	1.9
149.02451	1.3
167.03488	1.2
169.01375	0.7
177.01918	2.4
178.14624	0.5
179.03661	0.7
182.67627	0.7
183.08122	0.9
190.02621	1.1
191.03465	1.3
191.07117	0.9
193.05086	1.2
195.06485	0.7
203.05519	0.6
211.07639	1.9
223.13324	0.7
227.07108	2.3
239.07127	3.3
240.04292	1.0
241.04974	1.3
247.09717	0.8
251.16441	0.6
255.06633	17.9
256.07010	1.6
267.06714	1.1
283.06134	43.9
284.06586	5.4
311.05624	100.0
312.06256	25.2
313.06909	1.1
326.07956	54.3
327.08688	41.4
328.09183	4.2
426.17584	0.6
459.13062	54.9
459.23251	18.7
460.13373	7.1
460.23978	2.5
460.30444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1147
Annotation	7-O-6'-O-Malonylcachinesidic acid
Peak:m/z	Relative Intensity
59.01376	3.6
60.99166	0.4
61.98833	1.2
63.69693	0.5
66.30893	0.5
69.03448	1.2
69.59705	3.1
69.60126	1.0
71.01382	4.2
71.59507	0.5
72.99313	0.6
73.02943	0.8
79.01901	0.7
81.03457	0.8
83.01373	0.8
85.02948	1.2
86.17371	0.6
87.00850	0.6
88.59769	0.5
89.02465	0.8
95.01374	0.7
97.02946	3.5
101.02441	1.6
107.01415	4.6
109.02939	0.6
111.00877	2.1
113.02431	1.4
114.51350	0.5
123.00899	7.0
124.01694	1.0
125.02451	34.1
126.02811	1.2
127.00407	0.5
127.04002	0.6
136.98848	0.8
137.75446	0.6
139.00348	2.4
139.04048	0.6
139.85089	0.5
140.01154	2.4
141.01964	0.9
141.51128	0.5
151.00388	6.1
153.01945	0.6
156.96187	0.7
165.01993	0.7
167.03473	0.9
168.00641	9.3
169.01431	54.5
170.01755	2.3
178.87030	0.5
191.05618	0.7
195.03006	0.6
208.99103	0.6
211.02483	38.5
212.02733	2.4
238.49074	0.6
241.03532	1.8
245.78474	0.5
271.04590	55.3
272.04922	3.7
280.84210	0.6
301.00046	0.7
313.05649	16.3
314.06042	1.0
320.58807	0.5
331.06622	3.4
359.06168	4.0
400.66458	0.6
441.10144	1.0
459.11444	100.0
460.11716	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	459.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
58.00582	0.7
59.01389	6.7
61.98826	0.7
69.03460	0.6
69.34842	4.8
71.01381	3.1
71.05016	0.7
79.95763	2.1
83.01340	0.7
83.16666	0.5
85.02953	2.0
87.04517	19.3
87.05053	1.0
89.02457	1.3
95.01414	0.9
96.96016	78.0
97.02927	0.8
99.87007	0.5
101.02440	1.3
107.01397	4.0
111.00885	1.2
111.08173	0.7
113.02439	0.7
123.00903	4.0
124.01723	0.7
125.02457	31.0
125.06064	0.6
126.02765	1.2
127.00382	0.5
131.07188	0.7
136.96210	0.5
136.98802	1.2
137.02477	0.6
139.00357	2.8
139.07642	1.3
140.01140	2.5
147.11765	1.1
151.00362	2.8
165.12801	1.6
168.00613	3.7
169.01437	40.0
170.01778	1.4
183.13852	0.8
227.12910	6.3
263.09625	1.7
288.99234	0.7
289.07617	0.6
293.12286	0.9
307.08572	100.0
308.08936	8.1
335.15057	4.5
353.18808	0.6
361.12878	2.4
379.13977	30.0
380.14282	3.7
459.09814	8.9
459.15121	5.8
459.19266	3.6
460.09863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36206	0.6
59.01381	10.3
61.76779	0.6
61.98794	2.4
69.66296	3.6
71.01353	2.8
73.02916	0.8
73.43228	0.6
85.02909	1.3
89.02423	1.9
92.02740	0.7
93.03446	1.2
96.95997	1.3
98.20605	1.2
99.00815	0.9
101.02407	0.9
113.02457	1.1
123.04521	3.5
125.02406	2.0
133.02960	4.0
135.04530	1.3
137.02406	0.9
139.04021	3.0
145.06627	0.7
147.73193	0.7
149.02385	1.7
150.19875	0.6
152.99532	0.8
153.05530	1.6
163.03990	1.1
167.03467	2.3
169.01357	1.0
175.07646	0.8
177.01891	2.0
181.41742	0.6
190.02631	0.8
191.03432	2.1
199.07620	0.7
205.12169	0.7
211.07619	2.5
221.70219	0.7
223.13446	1.1
224.04782	1.0
227.07118	2.3
239.07159	2.6
240.04343	1.9
241.05052	1.7
247.09686	0.9
255.06627	16.5
256.06885	1.1
267.06754	1.1
269.04837	0.7
283.06146	44.6
284.06647	5.3
299.72833	0.8
305.14133	0.9
311.05630	100.0
312.06271	28.2
313.06845	2.3
326.07971	56.3
327.08704	45.9
328.09100	4.6
399.23792	0.8
415.25308	0.9
446.02884	0.7
459.13086	50.6
459.23441	21.5
459.31024	1.8
460.13556	7.8
460.24353	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	457.3323
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.03450	2.2
59.01370	0.5
61.98827	0.5
62.19749	0.3
69.03447	1.3
69.49005	2.1
70.52672	0.3
76.76839	0.2
80.16646	0.3
80.61696	0.2
82.02154	0.2
87.00859	0.3
87.49489	0.3
93.63780	0.2
125.02464	2.4
135.04555	0.4
151.00336	0.3
153.05563	0.8
305.13934	0.7
318.82870	0.3
395.24545	0.3
397.31442	0.4
413.34406	2.6
414.34531	0.6
415.21240	0.4
457.22552	3.0
457.33252	100.0
458.33612	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	458.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20468	2.5
57.03446	4.3
59.01390	3.3
60.11451	2.6
61.72868	2.6
61.98840	67.1
69.74943	17.4
83.17410	2.5
85.02956	2.7
85.06574	5.8
90.76711	2.6
95.05040	4.0
97.02962	2.9
97.06626	3.2
109.06597	3.9
109.65958	2.8
111.04510	6.8
123.04535	15.9
125.02452	27.4
127.04044	3.2
151.04074	5.1
153.05588	68.1
154.05997	4.4
176.94781	2.9
329.21097	3.6
341.21646	3.4
371.22375	4.2
395.24460	40.0
396.24631	3.7
397.23706	5.1
415.24744	16.5
417.22955	5.6
431.24286	4.5
441.22925	4.2
458.22211	4.3
458.33539	9.2
459.23853	100.0
459.34055	5.4
468.40128	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	457.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20028	0.3
53.68540	0.2
55.01884	0.8
55.26103	0.3
57.32908	0.3
65.00314	0.6
67.01879	0.4
68.99829	1.2
71.36495	0.5
72.64123	0.3
76.13566	0.3
79.01905	0.5
81.03474	0.4
85.06598	17.4
86.06960	0.4
96.32909	0.3
97.02966	2.9
103.19341	0.3
103.20016	0.2
104.90312	0.2
109.06589	1.4
109.81676	0.3
111.04527	5.0
120.19687	0.3
127.26474	0.3
135.04601	0.6
138.03297	0.4
153.05588	100.0
154.05940	4.6
177.05573	1.1
178.99916	0.6
179.03471	0.5
195.06627	0.9
301.21732	0.6
303.23291	4.1
385.23862	1.0
404.01077	0.3
411.21896	1.5
413.23328	13.5
414.23624	2.0
457.29785	5.8
457.36133	0.3
458.29984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03446	1.7
57.95284	0.6
59.01383	100.0
60.01722	1.3
61.98838	5.1
65.26457	0.6
71.01385	20.1
73.02952	8.0
75.00883	0.7
78.12151	0.6
79.95770	0.6
83.01384	2.9
85.02953	9.4
87.04539	0.6
89.02443	6.1
95.01371	1.1
96.96017	1.7
97.02969	0.9
98.20719	1.2
99.00881	3.0
101.02451	17.2
101.03090	1.2
111.00895	0.8
113.02454	9.1
119.03532	1.8
120.05844	0.7
125.02464	2.5
133.10280	1.1
135.11810	7.1
143.03545	1.4
153.30791	0.6
159.03018	2.5
161.04572	20.8
161.09717	4.1
169.01456	0.9
179.05675	0.6
179.10785	23.9
180.11128	1.1
211.06215	0.8
251.11356	13.7
305.09793	0.7
359.42374	0.7
381.10208	1.0
397.22385	6.1
457.01083	1.0
457.20483	6.1
457.32840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2601
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.46485	0.5
56.91106	0.4
57.03459	1.4
59.01365	0.8
61.98842	8.2
69.66267	0.9
69.66676	2.4
73.30206	0.6
79.01905	1.0
81.03459	0.7
83.05038	0.7
85.06597	0.7
95.01369	0.6
99.08186	2.0
111.04523	0.8
116.75510	0.5
123.04550	0.9
123.08138	2.5
124.01682	1.2
124.05315	6.6
125.02472	4.0
126.02793	1.2
127.03007	0.5
137.02457	1.2
137.06146	0.7
138.03236	0.8
149.06090	1.6
151.00359	0.8
151.04034	2.6
153.05573	2.8
157.69873	0.5
165.05566	1.7
166.06412	2.8
167.03416	0.8
167.07156	15.1
172.79768	0.5
177.02078	0.6
177.09288	0.8
179.03513	14.9
179.05133	0.7
180.03923	0.8
193.05064	12.2
194.05847	23.4
195.06287	1.2
198.05292	0.8
207.06718	4.2
208.07425	13.0
209.07732	1.0
219.13950	1.2
221.08199	19.6
221.10278	1.0
222.08775	2.5
226.04829	5.8
233.15584	1.5
235.09769	6.3
240.06516	2.1
247.16992	0.5
249.11348	2.4
250.12268	0.7
254.08058	0.8
263.12903	9.8
264.13327	1.1
277.14432	8.6
277.17288	0.6
278.15182	2.5
287.20093	0.6
289.21921	1.2
302.08203	0.5
302.68054	0.5
310.14502	0.8
317.14166	0.5
317.17410	2.6
331.19064	0.6
332.19919	1.5
333.20752	1.6
364.19055	0.7
394.23370	2.9
453.46927	0.5
457.26089	100.0
457.33060	7.6
458.26453	16.9
458.33307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50047	0.1
65.00341	0.4
68.99821	0.6
69.83504	0.1
71.24551	0.2
81.03485	0.2
82.44721	0.1
83.01398	0.3
95.12830	0.1
99.92590	5.6
100.92690	0.3
100.93368	3.6
101.93414	0.2
109.90615	0.2
115.92088	100.0
116.92091	5.3
116.92874	6.3
117.92611	0.2
124.01674	0.2
125.02461	0.2
132.92380	1.0
142.94432	0.2
151.00391	0.2
153.01932	0.2
154.94336	0.2
155.95175	0.2
172.95471	6.6
172.96968	0.3
173.95662	0.4
178.99896	0.4
192.00659	0.4
244.40939	0.1
250.03920	0.2
283.26373	0.6
301.21521	0.3
341.24591	0.2
383.19028	0.5
384.19165	0.2
385.23792	0.4
399.18350	0.2
409.20551	1.1
410.20859	0.3
411.21674	1.2
412.22006	0.2
413.23343	7.2
414.23608	1.3
439.21692	0.3
456.35248	0.2
457.22632	4.7
457.29117	0.3
458.22989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03445	4.3
58.00605	2.2
59.01385	95.8
60.01696	1.4
61.98822	7.9
69.42605	5.0
69.43040	5.5
71.01002	2.5
71.01392	46.3
72.99313	3.6
73.02948	16.1
75.00882	3.1
76.79005	1.1
83.01390	8.2
85.02953	18.9
87.00860	1.5
87.04546	1.5
89.02459	14.4
95.01401	2.4
96.96016	2.5
97.02969	1.4
97.06593	1.4
99.00877	6.6
99.04545	1.3
101.02451	38.9
111.04529	1.5
113.02460	23.9
119.03487	1.8
125.02443	4.9
133.10225	6.4
135.11816	27.5
136.12143	1.9
143.03474	2.5
144.05792	1.5
146.07397	1.1
150.05565	2.1
152.74838	1.2
159.03021	4.0
159.08168	2.4
161.04564	33.0
161.09741	22.5
163.65396	1.2
168.00697	1.6
169.01465	2.6
171.36615	1.4
179.10785	100.0
180.11070	7.2
188.45822	1.2
205.08705	2.7
227.01489	1.2
241.25970	1.3
245.59552	1.1
251.11368	63.6
252.11642	5.3
336.99649	1.3
381.10437	1.7
383.30762	1.4
395.24173	1.5
397.22275	3.6
401.54526	1.4
413.17535	2.1
413.22409	1.7
425.30539	3.5
457.20853	25.2
457.32910	4.2
458.21228	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	457.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03434	4.2
58.00590	1.6
59.01383	100.0
59.09275	1.3
61.90388	1.3
61.98817	5.7
63.98438	1.7
69.03458	1.6
70.59803	2.5
70.60198	2.6
71.01389	37.9
71.05010	2.6
72.99316	1.3
73.02950	13.9
75.00893	1.9
81.03457	1.3
81.50302	1.3
83.01406	6.7
85.02957	19.8
87.00898	3.1
89.02452	11.3
93.86449	1.3
95.01400	2.4
95.05049	1.3
96.95990	3.0
97.02953	1.8
97.06599	1.4
98.92294	1.2
99.00906	6.3
99.04523	1.1
101.02444	35.5
107.05017	2.1
111.00878	1.8
113.02444	14.3
116.98660	1.1
119.03516	3.4
125.02415	4.5
133.10207	4.6
135.04524	1.8
135.11807	19.9
139.04015	1.7
143.03433	2.1
149.09740	1.4
159.02982	4.2
159.08141	3.9
160.01907	1.2
161.04555	22.8
161.09727	22.5
161.13345	1.9
162.10057	2.0
169.01450	2.0
173.13327	2.7
179.10782	81.1
180.11125	3.9
186.01961	3.1
187.11298	4.8
189.09164	4.2
192.25510	1.4
197.82964	1.3
205.12288	3.6
207.08632	4.0
209.11853	2.7
217.12244	1.9
218.04529	3.1
223.13365	2.6
226.91092	1.3
235.13501	12.7
246.80023	1.3
251.11356	51.6
252.11694	3.1
295.15417	6.1
300.99878	1.4
393.84650	1.4
397.22290	5.4
439.19168	2.7
457.20740	39.9
457.27408	2.3
458.20935	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	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03447	0.9
58.00597	1.5
59.01382	28.6
61.98829	1.4
67.01894	0.9
69.03473	4.1
71.01387	30.8
71.61724	0.9
72.99305	2.5
73.02944	5.7
75.00870	2.2
79.01903	1.6
79.95752	1.5
81.03446	2.7
81.34830	0.7
83.01382	3.5
85.02972	7.3
87.00876	2.3
88.33620	0.7
89.02448	36.5
95.01392	2.6
96.96003	2.2
97.02965	6.1
99.00881	6.2
99.04555	0.7
101.02456	10.2
107.01422	3.9
111.00240	0.7
111.00867	3.8
113.02455	5.9
115.04039	3.2
115.04772	0.7
119.03448	1.5
123.00895	17.7
124.01713	0.9
125.02453	34.2
126.02824	1.3
127.00401	1.3
127.03900	1.0
131.03519	3.8
135.04541	0.8
135.11752	0.8
136.98778	1.4
137.02483	1.1
139.00383	5.9
140.01137	2.8
141.01927	2.8
142.34737	0.7
143.03497	0.9
147.04523	3.3
148.05322	22.3
149.02443	1.7
149.04509	4.2
149.05602	1.3
151.00368	13.2
151.03975	0.9
153.01909	1.5
153.05577	1.2
161.04597	1.6
163.07616	5.9
164.04797	6.5
168.00670	3.6
169.01428	23.4
170.01672	0.9
174.57509	0.7
179.03450	1.8
179.07170	5.5
179.10730	2.2
183.19640	0.6
191.05608	2.5
197.04601	1.3
211.06210	0.9
213.01984	0.8
223.09837	0.9
226.15480	0.7
233.06650	13.4
234.06984	0.7
258.63431	0.8
259.02768	3.1
293.08795	10.0
313.05627	1.8
334.24109	0.7
439.26840	0.8
457.07980	3.3
457.17130	100.0
458.17432	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	457.1718
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
52.32133	1.4
55.01898	1.9
57.03455	1.7
58.00585	3.9
59.01384	73.7
61.98839	2.1
62.67945	1.6
65.08915	1.4
69.03455	7.5
71.01389	69.7
72.99315	4.1
73.02943	9.0
75.00890	3.3
78.49885	1.2
81.03473	4.6
83.01397	3.3
85.02963	10.2
87.00887	3.3
89.02452	100.0
95.01391	3.1
96.96014	4.5
97.02961	10.3
98.19772	3.7
99.00899	17.0
99.04506	2.5
101.02448	14.4
111.00903	3.2
113.02480	7.9
115.04029	7.4
125.02459	50.9
126.02775	2.3
131.03516	12.7
143.03514	4.3
145.02969	2.2
147.04515	5.6
148.05312	77.7
149.04552	11.4
149.05702	4.0
151.00398	1.8
161.04541	4.2
163.07669	32.9
164.07957	2.2
167.99120	1.5
169.01401	4.4
176.03461	2.7
179.10764	4.1
190.18355	1.5
191.05647	8.8
196.91605	1.4
212.16788	1.4
229.91315	1.8
233.06693	37.5
293.08786	26.2
307.08438	1.7
338.08893	3.9
457.17105	10.4
458.17673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.0
61.98821	2.0
65.00323	0.5
69.57689	3.8
71.01388	4.3
72.38918	0.5
73.02945	1.1
83.01366	0.8
85.02937	0.9
87.00890	0.7
89.02461	2.7
93.03428	0.7
95.01386	1.4
96.96014	1.9
97.02956	0.8
98.20557	1.2
98.95599	1.6
99.00882	1.8
101.02455	2.1
107.01392	2.3
109.02976	0.6
111.00913	1.7
113.02460	1.5
117.03458	2.4
117.05575	2.0
119.05029	100.0
120.05367	5.2
120.99682	0.6
121.02972	0.6
123.00897	3.6
124.01702	0.8
124.34524	0.5
125.02451	14.3
129.17987	0.5
133.02959	0.7
133.06635	0.7
137.02438	1.6
139.00381	2.0
140.01138	1.7
141.02017	0.6
145.02951	8.1
146.03355	0.6
147.04541	0.9
149.04625	0.7
151.00343	1.7
151.30547	0.5
157.02988	0.6
161.02446	1.5
161.06049	0.9
163.04012	54.8
164.04362	2.9
165.01897	0.8
167.03481	1.4
167.23260	0.6
168.00644	4.5
169.01416	18.2
170.01756	0.9
173.02441	1.0
175.03978	0.8
177.05611	0.5
183.02751	0.5
183.24301	0.5
189.01987	0.7
191.03439	1.1
201.01918	0.8
203.03516	0.9
205.05042	1.9
211.02484	19.8
212.02890	0.8
217.01411	0.5
229.01410	2.0
231.02898	0.6
233.00841	1.1
241.03697	1.0
245.00807	1.3
249.03992	2.3
257.00793	1.0
264.41617	0.6
271.04584	28.4
272.04947	1.8
273.00449	1.0
274.01187	0.7
275.01956	6.4
276.02164	0.8
298.98294	1.1
299.99136	0.9
300.99911	8.0
302.00113	1.4
305.06760	3.2
314.00662	1.4
331.06750	2.4
340.99265	0.6
341.03021	0.5
348.76895	0.7
395.00690	0.7
413.01495	1.0
421.03241	0.7
457.13562	84.4
458.13831	11.8
465.01035	0.8
467.02362	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	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.2
57.03440	1.8
57.92804	1.1
59.01141	1.5
59.01392	19.8
61.98837	58.4
65.00311	1.6
65.68178	1.0
66.40380	1.0
67.01882	2.7
69.03452	1.4
71.01390	17.7
71.61275	1.2
71.61653	1.5
72.99320	3.3
73.02951	4.4
79.01898	3.3
79.95718	1.0
81.03454	1.3
83.01392	3.6
85.02964	10.1
87.00876	2.3
89.02452	7.2
93.14225	1.0
95.01402	5.9
96.96032	5.0
97.02961	2.6
97.06598	4.3
98.95639	1.1
101.02464	10.1
107.01403	13.8
111.00921	6.3
113.02460	6.6
114.15290	0.9
116.57996	1.1
119.03485	1.8
123.00896	46.0
123.04548	1.2
124.01722	1.6
125.02460	66.7
126.02812	2.1
127.00382	2.7
129.01955	1.3
133.63901	1.2
135.04533	1.7
136.98811	4.0
137.02399	2.4
139.00403	14.3
140.01183	10.0
141.01945	6.7
143.07147	11.8
145.02943	1.7
149.06055	1.1
150.65367	1.1
151.00385	32.3
152.00873	1.3
153.01918	3.1
160.01741	1.8
161.02475	2.0
161.04614	1.3
161.07211	2.6
168.00644	11.8
169.01442	80.7
170.01799	2.4
175.04019	1.2
177.04048	2.4
179.03493	2.8
181.05011	1.2
211.02466	4.0
241.03513	1.2
253.03644	1.5
270.43533	1.3
271.04645	3.9
284.25711	1.1
295.10312	3.0
305.12466	16.5
306.12646	1.5
313.05685	7.3
319.22375	1.1
366.81149	1.1
382.06433	1.8
434.89270	1.2
457.13016	84.8
457.17459	100.0
458.13046	8.9
458.17609	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	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.7
58.03771	1.3
59.01373	2.5
61.98832	58.3
65.00337	1.5
66.00675	1.1
71.60342	1.9
73.02956	1.4
79.01920	1.3
81.03468	14.2
82.03798	1.9
83.01401	4.2
85.06596	1.5
92.20865	1.1
95.01386	2.7
95.04972	1.5
97.06599	2.0
108.51883	1.2
121.11065	1.3
123.04545	2.4
123.08164	1.4
124.01687	3.8
124.05306	4.5
125.02460	76.6
125.06106	1.1
126.02787	16.0
137.09798	1.5
137.79904	1.0
138.03218	1.1
139.03999	1.7
149.06065	2.3
151.00391	3.7
151.04034	4.0
152.01202	2.7
153.05586	5.8
165.05652	2.3
166.02704	3.5
166.06348	2.5
167.03307	1.6
167.07135	13.5
169.12393	1.2
177.09158	1.1
179.03491	17.0
179.10826	1.6
180.03711	1.2
180.92674	1.3
193.05051	12.8
194.05864	22.1
207.06639	3.9
208.07422	12.3
221.08212	18.5
222.08997	2.8
226.04916	6.3
233.15610	1.7
235.09708	6.4
240.06453	1.7
244.17876	1.3
249.11353	2.1
263.12866	11.1
277.14478	6.0
278.15399	1.8
310.14279	1.7
313.17596	1.1
317.17554	2.5
328.23853	4.4
332.19794	1.4
368.26736	7.0
393.22849	51.5
394.23071	6.0
412.25876	3.6
425.19687	1.5
455.35080	2.4
456.24875	65.9
456.31110	3.4
456.36606	2.1
457.26138	100.0
457.33099	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	456.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
61.98833	100.0
69.52972	1.9
69.53373	5.2
80.96528	0.9
81.03465	1.9
83.01389	5.0
92.21231	1.0
121.45949	1.0
123.04562	1.2
125.02456	30.1
138.03242	1.1
139.04021	1.6
146.04573	0.9
149.02469	1.0
151.00392	0.8
153.05580	6.8
153.76846	0.8
166.12978	0.8
167.03455	1.1
199.06125	1.1
225.00783	0.8
226.73401	0.9
250.18015	0.9
289.52274	0.9
371.18771	5.4
374.45105	0.9
392.60248	0.8
393.22769	1.8
413.34354	0.9
427.26651	1.1
456.25067	2.1
456.31940	5.6
457.21329	1.0
457.26102	3.0
457.33105	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	456.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81551	3.5
57.03440	4.3
59.01385	5.0
61.98833	100.0
68.93380	3.9
85.06588	5.4
87.66532	3.8
94.97847	4.5
97.13636	3.9
109.06594	4.8
111.04543	7.2
112.91677	4.1
120.83829	3.8
125.02438	8.0
132.86484	4.7
132.97946	3.9
139.04021	6.8
151.07597	4.2
153.05594	53.1
195.06641	24.4
207.06598	12.2
212.63136	3.7
246.50253	4.0
281.92221	4.5
393.22906	74.0
394.23181	10.0
411.92166	4.0
456.24667	16.4
456.31577	8.7
457.25793	19.3
457.33185	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
58.31636	0.3
59.01383	3.6
61.98833	100.0
62.98531	0.4
64.01134	0.3
67.01904	0.4
69.03493	0.3
69.39999	2.5
71.01385	2.7
72.99302	0.5
73.02962	0.4
79.01871	0.3
79.95735	0.4
83.01385	0.7
85.02977	1.3
85.06579	0.3
87.00867	0.5
89.02455	1.4
95.01411	0.8
96.96022	2.3
97.02951	0.3
97.06600	0.4
97.22417	0.2
98.36359	0.2
99.00890	0.6
101.02459	1.1
107.01397	2.1
109.02983	0.3
111.00887	0.7
113.02473	0.8
123.00896	5.7
125.02450	8.0
127.00436	0.4
132.14008	0.3
132.25653	0.2
135.04535	0.4
136.98848	0.6
137.02448	0.3
139.00351	1.8
140.01143	1.5
141.01936	0.3
143.07140	1.8
145.03000	0.5
150.06340	0.3
151.00386	4.3
153.01942	0.4
159.04601	0.3
160.01668	0.4
161.02454	0.5
163.04005	0.4
168.00732	1.3
169.01440	10.7
175.04062	0.4
177.04047	0.4
177.05521	0.3
179.03482	0.5
190.02577	0.3
191.03487	0.5
193.01447	0.6
211.02519	0.6
235.13351	0.4
253.03439	0.4
271.04730	0.7
275.01727	0.4
305.12411	2.3
313.05743	1.1
355.08212	0.4
381.06201	1.1
456.10004	1.6
456.15924	0.8
456.22415	0.3
457.13199	11.9
457.17636	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	455.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39473	0.2
54.18848	0.2
55.01872	1.1
70.76004	0.7
77.80844	0.2
79.01904	0.6
85.06596	15.8
85.48096	0.3
86.06944	0.4
91.49144	0.2
97.02957	3.6
97.43849	0.2
109.06586	1.4
109.74776	0.2
110.55028	0.2
111.04531	4.7
115.55738	0.2
135.04501	0.6
138.03299	0.4
144.22667	0.2
149.06105	0.4
151.03993	0.4
151.95851	0.2
153.05583	100.0
154.05930	5.0
177.05574	0.8
179.03525	0.5
191.36295	0.2
195.06595	1.1
197.04584	0.3
233.36964	0.2
301.21756	3.6
302.22211	0.4
350.98450	0.3
385.23669	0.8
411.21872	1.2
455.28140	6.9
455.35443	7.1
456.28488	1.0
456.35782	1.3
470.11731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3168
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.39375	1.0
57.03458	1.4
70.44993	3.3
79.01862	3.0
87.04474	1.6
99.08114	3.2
123.08167	10.3
149.06062	1.2
150.02672	0.9
152.04779	1.2
163.07640	1.2
163.65692	1.0
167.05859	1.0
167.07132	11.8
193.05025	1.1
411.27368	1.6
411.32687	28.5
412.32690	4.2
450.41772	1.0
455.31403	100.0
456.26056	1.3
456.31717	17.1
456.41226	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	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51678	0.3
68.61015	0.3
69.55318	2.4
97.64648	0.3
98.12185	0.3
98.20649	0.5
248.87335	0.3
300.26431	0.3
315.06476	0.3
407.33093	0.8
455.35318	100.0
456.35672	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
67.61190	0.3
70.07891	1.8
81.51688	0.4
90.82896	0.5
149.96562	0.4
399.10635	0.3
455.35309	100.0
456.35648	17.1
456.42255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70833	0.2
53.85718	0.3
56.97712	0.2
59.01393	0.9
61.98834	100.0
64.81247	0.3
67.75814	0.3
67.83184	0.3
69.86299	1.6
71.01398	0.8
75.97694	0.3
79.95740	2.0
85.02956	0.3
89.02483	0.4
91.38293	0.3
95.95242	0.4
96.96014	5.4
98.20604	0.5
98.95623	0.5
107.41663	0.3
108.07893	0.3
112.84045	0.3
113.02470	0.3
117.05611	0.9
118.05889	0.4
119.05061	1.8
119.05798	0.3
123.00932	0.4
125.02416	2.1
125.03268	0.3
126.09904	0.3
128.03571	0.7
137.02515	0.5
140.05496	0.4
142.24181	0.3
143.04675	1.3
161.19249	0.3
163.04051	1.1
169.01453	1.4
175.03963	0.3
176.86433	0.3
177.02016	0.4
179.04657	0.4
195.04897	0.3
210.09000	0.3
211.02547	1.0
239.33420	0.3
247.02487	0.4
248.02827	0.7
271.04764	1.3
272.08801	0.3
280.65970	0.3
301.00073	0.8
303.04968	0.3
364.86789	0.3
369.02856	0.4
394.92844	0.3
412.09714	0.4
413.01556	2.5
439.13071	0.5
456.10904	4.5
457.14386	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	455.2439
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
50.25803	0.5
57.03186	0.7
57.03453	11.6
59.01371	1.5
61.98830	3.7
63.77467	0.5
65.00324	2.3
67.24772	0.6
67.55692	0.5
67.85878	0.4
69.03460	0.7
69.61691	3.6
73.02959	0.9
74.60433	0.5
75.79910	0.4
81.03467	10.8
83.01398	4.2
83.05042	1.0
95.01402	3.1
98.19832	0.6
107.01392	1.0
107.05061	0.6
109.06580	0.9
111.04562	0.6
122.03780	1.5
123.00889	1.4
123.08148	0.6
124.01701	2.4
125.02455	86.6
126.02792	3.0
135.04527	1.0
139.00346	0.6
149.06123	0.8
151.00400	4.1
152.01169	3.5
153.05565	1.0
165.05675	0.5
166.02721	4.7
167.22177	0.5
177.09097	0.6
179.03525	4.6
189.29570	0.5
193.05045	1.0
207.06660	0.7
235.09880	0.8
249.11348	0.8
257.50204	0.5
259.17068	2.2
282.92459	0.5
285.22327	1.6
297.18494	0.7
299.20090	0.9
309.22144	0.5
325.25375	2.9
327.23282	6.0
328.23688	1.0
367.19211	0.7
367.26456	7.7
368.26895	1.0
369.24335	0.8
383.22275	0.8
393.22955	3.3
411.21222	0.7
411.25763	5.7
412.26065	0.6
454.34427	2.8
455.24554	100.0
455.31451	6.1
455.35873	5.5
456.24811	18.3
456.30988	0.7
456.35452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
70.58469	0.9
70.58813	0.3
79.01904	0.4
85.06593	17.5
86.06923	0.3
97.02953	3.4
105.78803	0.3
109.06618	1.3
111.04523	5.0
135.04459	0.8
153.05580	100.0
154.05913	4.4
177.05621	0.7
179.03564	0.7
195.06645	0.9
266.83850	0.3
273.60703	0.3
301.21710	3.7
302.22037	0.5
366.34149	0.3
411.21634	1.4
412.22195	0.3
429.76169	0.3
455.28070	6.1
455.35352	6.9
456.28513	1.1
456.35773	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	455.2442
Annotation	Lucidenic acid F
Peak:m/z	Relative Intensity
50.33651	0.7
52.71401	0.7
57.03448	8.5
59.01392	1.2
61.98848	1.2
65.00331	1.9
69.03414	0.8
71.05045	0.9
71.60334	1.0
73.42631	0.8
78.91868	0.8
80.02693	1.4
81.03468	9.1
83.01384	4.3
85.06599	1.9
95.01408	2.1
97.06606	1.1
107.01443	0.8
109.06603	2.3
111.04543	1.7
122.03674	1.0
123.00888	1.0
123.04482	1.1
124.01691	3.0
124.30823	0.8
125.02456	57.4
125.06080	0.8
126.02792	2.2
135.04529	2.5
136.92387	0.8
139.04060	0.7
151.00389	2.9
152.01175	3.0
153.05583	8.9
166.02750	3.4
169.12349	2.8
179.03578	4.7
180.04149	0.9
191.10774	1.0
193.05113	1.4
193.08786	0.9
195.13902	1.5
207.06685	0.9
209.11807	10.2
213.14999	2.1
221.08253	1.3
227.12910	1.7
235.09708	0.8
325.25378	0.9
327.23395	3.9
338.47165	0.8
352.32321	0.8
367.26385	6.6
382.21399	1.0
411.25681	5.3
423.27924	1.0
455.24442	100.0
455.30997	5.2
456.24829	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61656	0.6
56.01835	0.9
57.03451	0.7
58.00597	1.1
59.01382	15.5
61.98829	9.0
63.61309	0.6
69.03478	1.1
70.11881	1.3
70.12280	1.6
71.01388	12.7
71.05027	13.4
72.97510	0.7
72.99327	1.7
73.02946	3.2
75.00883	1.6
79.95749	6.8
83.01398	2.0
85.02959	7.5
85.06569	3.5
87.00883	3.8
87.56431	0.7
89.02462	7.3
93.03452	0.8
95.01414	2.0
95.05040	9.3
95.95261	1.8
96.96017	26.5
97.02951	1.9
99.00900	1.5
99.04530	3.8
101.02444	8.0
107.01369	2.2
109.02938	0.9
110.97562	1.3
111.00890	1.5
113.02464	5.0
113.06098	3.3
115.07631	0.8
117.05586	100.0
118.05908	3.4
119.03522	3.7
123.00893	6.4
123.04591	0.9
124.01613	0.8
125.02457	13.9
126.02746	0.9
127.00316	0.9
131.03500	2.8
131.07158	14.8
136.98965	0.9
137.02457	1.4
139.00403	2.0
139.04083	1.0
140.01108	1.3
141.01952	0.9
143.03485	0.9
146.30545	0.7
151.00372	3.4
159.04582	1.0
159.06641	7.7
161.02486	1.1
161.04584	2.9
163.03983	1.0
167.03494	1.0
168.00652	1.6
169.01434	12.7
170.01701	0.9
171.01942	1.0
175.03966	0.9
175.06133	5.1
177.01868	1.0
179.05603	2.6
189.07768	2.5
203.03505	3.2
204.03857	1.2
205.04053	1.5
211.02524	5.5
219.08722	2.1
221.06641	2.5
221.39093	0.7
247.02419	1.7
248.02733	0.9
249.03122	1.6
271.04645	7.5
275.02036	1.3
300.99933	2.3
313.05634	1.9
321.95782	0.8
337.11435	1.4
339.01614	0.9
340.99509	2.8
392.11682	2.9
411.00198	0.8
411.09097	0.8
440.07507	0.7
455.10568	24.4
455.17737	78.6
456.11346	15.4
456.18100	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	455.179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.9
59.01381	14.2
61.98801	1.2
66.57168	0.7
69.03439	1.0
69.31830	3.1
69.32253	3.1
71.01380	12.9
72.01733	0.9
72.99303	1.0
73.02954	1.5
74.99097	1.0
78.95906	43.2
79.01888	0.9
79.95748	10.5
80.96513	0.9
81.03467	0.7
83.01397	1.2
85.02955	2.7
85.51290	0.8
87.00893	0.9
89.02438	16.7
89.27348	0.7
95.01393	1.4
95.95215	4.2
96.96002	39.2
96.96957	46.9
97.02961	1.5
101.02448	3.6
101.06083	16.2
107.01388	2.8
109.01822	0.8
109.02931	1.0
110.97613	1.8
111.00879	1.9
113.02441	2.5
117.05574	3.1
119.03499	1.3
123.00892	6.4
124.01717	8.5
125.01209	1.0
125.02487	16.6
126.01997	0.9
126.02788	2.8
127.02903	2.6
131.03535	4.6
131.07153	0.9
136.99049	0.8
137.02393	1.3
138.98013	1.9
139.00377	2.1
139.03993	4.1
140.01106	1.5
140.04335	1.2
141.01923	1.0
141.04591	0.8
142.01547	0.8
149.04568	7.7
151.00346	2.9
151.03986	0.9
152.00693	1.2
153.00731	0.9
153.53702	0.7
160.26288	0.8
167.00294	1.3
168.00612	2.4
169.01414	14.3
170.01807	4.4
171.01889	5.4
183.03012	1.5
185.03410	1.3
191.05606	1.4
199.00121	5.7
212.08238	2.0
213.01657	4.7
241.07275	2.5
255.08920	2.9
259.02826	1.0
275.01913	1.0
293.08740	11.8
301.00021	0.9
313.05612	1.1
315.06134	1.9
329.07468	0.9
389.51614	0.8
440.07858	1.6
455.10580	100.0
456.10678	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	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88528	0.9
59.01097	1.6
59.01379	25.8
59.39482	1.1
59.90906	1.0
61.98821	4.9
69.33604	1.0
70.21276	3.9
70.21622	1.3
71.01382	12.7
71.05025	6.7
72.99301	1.4
73.02931	1.9
74.99077	1.7
77.99983	1.0
79.95741	2.8
85.02956	2.5
88.32049	1.0
89.02452	17.8
89.03958	1.2
93.03400	1.0
95.01418	1.6
96.96015	28.8
97.02958	1.1
97.80782	1.2
98.95587	9.4
98.96435	1.9
99.04537	19.2
101.02431	8.6
104.70886	1.0
109.02934	1.9
113.02462	7.3
115.89003	1.1
117.03452	4.9
117.05590	35.0
119.03539	9.5
119.05051	1.3
123.00834	1.6
125.02434	3.4
132.02177	3.8
133.02957	3.8
134.03745	42.8
135.04268	1.4
137.02432	3.2
139.03925	1.1
145.02992	1.8
147.04501	4.6
148.05266	2.3
149.06140	6.4
153.05531	1.2
159.06592	1.5
160.01678	19.8
161.02486	5.2
161.04494	2.0
169.01491	1.4
175.04015	27.4
176.04807	10.6
177.01959	3.6
178.02655	1.5
191.07120	11.4
192.04288	1.6
193.05063	40.6
194.05406	2.6
207.06569	3.6
220.03702	1.5
222.16454	1.1
223.04050	1.1
224.74544	1.1
235.03951	1.9
235.06119	21.7
265.07108	2.1
275.01855	2.3
279.10849	100.0
280.11157	6.1
293.10471	1.5
295.08267	5.0
300.99832	2.4
305.82526	1.2
317.40283	1.2
321.83600	1.1
337.09308	2.5
351.01389	1.4
411.23837	1.7
455.09213	3.7
455.15521	78.6
455.26117	3.1
456.15915	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	455.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42721	0.6
69.38229	5.0
79.95738	31.9
80.96539	1.4
95.95232	11.8
96.96014	100.0
98.19852	1.1
98.91994	0.6
108.02167	0.6
109.02948	0.9
110.97583	4.4
115.29249	0.6
135.37579	0.7
137.02478	0.8
141.95818	1.8
145.03014	1.3
151.04062	1.1
161.02464	1.3
163.04018	1.1
167.00165	3.8
177.05545	1.0
257.01208	1.0
259.02768	2.7
331.04755	0.8
440.07813	4.6
441.08661	0.9
455.10172	84.5
456.10446	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	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.4
61.98827	3.2
62.20830	0.9
71.01385	14.9
71.05032	7.2
71.60921	1.0
72.99323	1.2
73.02937	1.9
74.99093	1.2
79.95731	1.7
82.40819	0.9
85.02957	3.0
87.00891	1.1
87.04497	1.5
89.02444	16.6
95.01379	1.9
96.96017	30.4
98.95595	11.1
98.96251	1.8
99.04530	17.1
101.02439	10.9
107.01384	1.2
109.02977	1.8
110.02478	1.1
113.02452	5.9
113.06091	1.0
117.03449	2.9
117.04785	1.9
117.05589	31.1
118.05949	1.3
118.29292	1.0
119.03495	6.9
119.04985	1.1
123.00887	1.7
123.04523	1.6
125.02436	4.1
132.02191	3.2
133.02953	3.9
134.03749	43.3
135.04073	1.2
136.01671	1.3
137.02470	2.5
147.04536	4.5
149.06079	6.1
159.04564	1.2
160.01669	19.3
161.02484	5.8
163.03987	1.2
169.01384	2.3
175.04019	28.3
176.04829	10.5
177.01927	2.5
178.02705	2.5
179.05585	1.7
179.66093	1.1
191.07108	13.2
193.03296	2.4
193.05055	41.1
194.05388	1.6
207.06612	4.5
217.05029	1.4
220.03818	1.9
233.36967	1.2
235.06129	23.6
236.06470	1.3
265.07236	2.7
279.10852	100.0
280.11295	6.2
295.08276	8.5
296.08411	1.0
300.99857	1.9
337.09381	3.5
351.01401	1.9
355.10495	1.2
393.22958	1.4
455.02383	2.3
455.09778	3.4
455.15533	77.1
456.15948	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	454.245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
70.94016	2.0
89.40480	0.7
93.17749	0.7
118.94201	0.7
220.49739	0.7
227.98198	0.7
350.98300	0.8
391.24908	1.4
402.96878	0.8
441.43250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18612	1.7
50.45813	1.9
59.11202	1.8
61.98835	100.0
62.68623	1.6
63.14316	1.6
68.37858	1.7
69.63259	11.7
70.51191	1.8
73.03996	2.2
81.03459	2.8
82.67119	1.5
91.01679	1.6
92.70589	1.6
98.19901	3.5
107.99380	1.8
139.43602	2.0
267.73441	2.2
323.37076	2.0
347.29446	7.3
391.28482	26.1
392.28818	3.7
455.35532	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	454.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20956	1.7
61.98833	100.0
69.32854	17.2
71.54508	1.5
96.96017	2.6
98.66589	1.7
184.42500	1.6
391.28632	10.3
392.29492	2.3
454.30350	3.4
455.29889	1.8
455.35257	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	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79364	0.5
58.43227	0.6
59.01381	2.0
61.98835	100.0
68.18167	0.5
70.41264	0.5
71.59884	0.8
79.11842	0.7
82.44532	0.6
85.02972	0.8
91.13413	0.6
109.09902	0.7
139.94670	0.5
162.47585	0.6
207.32909	0.6
220.55260	0.6
279.84128	0.6
308.99188	0.7
393.77655	0.7
454.25119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29879	0.7
59.01379	6.5
59.35181	0.8
61.98839	16.0
71.01376	3.0
71.60822	1.0
78.95868	0.9
79.95740	2.0
83.01393	1.0
85.02975	1.1
89.02441	2.7
96.96018	9.2
98.95587	1.8
101.02459	2.4
109.02977	0.8
113.02406	1.4
116.36197	0.8
117.03439	1.3
117.05584	2.3
119.03519	1.2
119.05022	1.3
119.09766	0.7
120.99672	2.6
123.00893	2.3
123.04526	0.9
125.02432	4.3
145.02980	5.9
147.74084	0.8
151.00304	1.0
153.01935	1.2
161.02432	1.5
163.03990	2.0
167.04997	1.0
168.00653	1.1
169.01440	5.3
180.00317	0.7
183.04498	1.1
195.04558	3.6
204.04520	1.0
207.04492	1.0
211.02385	5.4
211.04073	1.8
212.44077	0.7
223.04128	3.9
224.04642	1.0
235.04042	1.1
239.03406	4.4
240.04230	1.7
251.03455	6.1
252.04134	1.4
253.01505	0.7
267.03046	6.1
268.03510	1.4
271.04605	8.9
277.01407	1.2
278.02090	1.1
279.02975	2.9
280.03949	1.2
281.00882	0.9
283.05905	1.0
287.09601	0.8
291.02527	0.8
295.02502	8.8
296.03177	1.8
297.00308	1.4
299.05695	1.2
299.99185	2.1
300.99768	1.0
305.01065	3.5
306.01300	0.8
307.02423	3.8
308.03143	1.2
309.00403	2.6
309.11969	7.4
311.02060	1.3
311.05655	1.0
313.05475	1.0
314.00687	1.6
323.02032	11.8
324.02582	4.6
324.99948	1.4
325.03378	1.4
334.01077	1.4
335.02011	2.5
336.99857	1.7
337.03708	1.1
338.00803	1.3
339.01456	1.9
339.04999	1.6
351.01480	60.6
352.02005	12.2
352.99393	2.4
355.04623	1.4
367.00888	2.1
379.00931	10.5
380.01453	1.5
383.04031	6.7
393.02567	1.2
393.17679	2.0
394.03018	0.9
395.00272	1.5
396.01096	0.9
411.03592	34.1
412.04105	4.1
422.99969	15.1
424.00375	2.3
455.02597	100.0
455.16013	10.9
456.02927	12.4
456.13495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32794	1.2
55.32420	1.3
59.01386	1.4
61.19704	1.9
61.98836	83.2
67.35838	1.4
69.71705	8.2
77.25610	1.3
81.03481	2.6
85.06591	3.2
94.79672	1.5
108.55022	1.9
121.54199	1.5
123.04546	1.7
125.02447	6.3
125.83923	1.4
139.04024	2.9
151.00441	1.8
153.05579	5.6
166.02676	1.7
169.60497	1.5
249.60809	1.4
253.12555	1.4
307.34259	1.4
380.17139	1.6
391.21539	2.4
420.68442	1.6
454.27521	1.8
455.20566	7.6
455.24887	7.2
455.31564	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	454.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
61.98837	100.0
62.38945	1.0
69.62147	5.6
71.05018	1.1
72.33962	0.8
72.93192	0.8
81.03455	2.1
83.01411	1.7
95.05054	1.6
97.02905	1.5
98.19898	1.0
109.06625	1.0
122.03804	1.2
125.02453	4.3
137.98830	0.8
139.03999	6.0
153.05615	3.9
155.25089	1.0
180.04184	1.1
181.30736	1.1
233.15338	2.0
391.19867	1.6
391.24936	32.6
392.25473	5.5
392.29694	1.2
398.34189	1.1
416.25491	2.1
435.02399	1.0
453.34149	1.4
454.27438	1.4
454.34207	9.9
455.24332	21.2
455.31232	8.4
455.35565	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	453.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17492	0.3
54.52787	0.2
55.01887	1.1
55.18431	0.3
61.98841	0.3
69.45871	1.5
69.46281	0.6
69.85188	0.3
75.45200	0.3
78.91892	1.4
79.01901	0.6
85.06599	17.5
86.06934	0.4
97.02966	5.0
107.05083	0.4
109.06618	1.2
111.04516	4.4
135.04541	0.5
138.03244	0.5
153.05591	100.0
154.05945	4.7
162.22260	0.3
177.05547	0.6
179.03525	0.5
192.99594	0.3
195.06622	1.3
254.20833	0.3
279.23187	0.6
299.20172	3.0
364.50021	0.3
365.43900	0.3
383.22122	0.6
407.32971	0.4
453.26526	5.3
453.33685	32.8
454.26672	0.9
454.34009	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.338
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.43250	0.5
53.51063	0.5
55.01888	0.6
59.01377	0.5
71.60529	0.7
71.60901	0.7
78.91907	2.4
79.01904	0.7
83.94395	0.5
85.06596	16.1
86.06930	0.5
91.07600	0.6
97.02955	4.4
97.06557	0.5
104.06579	0.5
109.06614	1.1
111.04559	4.1
112.66764	0.5
128.20641	0.6
135.04544	0.9
153.05589	100.0
154.05936	4.5
177.05623	1.1
179.03450	0.7
192.32965	0.6
195.06543	0.6
196.65631	0.5
217.74620	0.5
279.23254	0.9
299.20135	3.3
337.49612	0.6
368.34366	0.6
371.22232	1.0
383.22214	1.2
407.33105	0.8
445.51956	0.5
453.26859	6.5
453.33734	87.8
454.27222	1.4
454.34097	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	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75839	1.8
53.89948	1.7
57.03442	3.4
59.01377	3.0
61.98835	100.0
71.60493	2.7
71.60873	2.3
73.02942	2.9
81.03472	10.9
85.02959	2.7
94.43604	1.8
97.02946	1.9
109.06599	2.2
125.02458	35.9
127.07646	2.4
143.20398	1.9
162.32930	2.1
175.00957	1.9
179.03638	2.3
238.54263	1.9
366.27173	2.3
391.16177	4.9
391.21286	98.4
392.21518	13.7
392.37369	2.0
417.22693	6.7
418.23105	7.3
419.23996	3.0
443.51129	2.1
454.29770	3.5
455.31079	2.5
455.36380	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	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.8
59.01377	2.6
61.98835	100.0
65.12616	1.1
66.13373	1.1
71.09563	2.5
78.70180	1.1
81.03463	8.3
83.01357	2.1
83.04974	1.4
85.02950	1.6
86.66373	1.1
87.00870	2.1
87.04514	6.3
93.13638	1.0
104.21830	1.2
111.69348	1.2
113.03955	1.0
120.00740	1.1
123.04527	1.9
125.02446	27.9
134.03716	1.8
139.04089	1.6
151.00360	1.3
165.05544	1.4
253.30254	1.1
259.16989	3.4
303.15994	1.9
305.13986	5.3
305.21011	1.2
308.54309	1.4
319.15317	3.2
366.27255	3.7
391.21268	86.9
392.21588	14.4
424.50742	1.4
454.29727	1.4
455.20682	10.1
455.30859	2.3
455.36115	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
70.58910	1.0
79.01900	0.6
85.06595	15.8
86.06969	0.6
97.02958	3.3
109.06605	1.5
111.04536	4.9
134.96053	0.3
135.04521	0.6
138.03232	0.5
153.05582	100.0
154.05933	4.1
177.05630	0.7
179.03529	0.6
195.06613	1.4
299.20212	2.4
345.52078	0.3
360.39700	0.3
363.76691	0.3
383.22473	1.1
453.26492	7.3
453.33829	1.9
454.26816	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	453.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.7
61.98843	38.1
66.37002	3.8
69.75252	21.5
71.51143	4.0
73.07783	3.2
80.54764	3.2
81.03486	10.3
83.01397	3.9
98.20572	4.5
111.04554	5.3
125.02453	30.7
146.21883	4.9
189.93108	3.7
417.22827	100.0
418.23044	11.9
453.28217	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	453.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91261	1.1
57.03437	1.8
58.27509	1.2
59.01376	3.1
61.98832	10.1
71.05015	1.4
71.60475	1.7
73.02930	1.4
81.03441	1.4
85.02969	2.5
85.81157	1.3
87.00882	100.0
88.01199	2.0
97.06600	1.6
112.01656	2.1
113.02457	1.7
113.06017	1.2
125.02441	8.6
125.06075	1.3
142.68498	1.3
144.21689	1.1
167.07065	1.5
179.96219	1.2
195.26231	1.1
239.20177	26.1
240.20338	1.6
241.18053	2.7
249.76561	1.2
254.01341	1.6
293.24832	3.8
305.25064	1.6
321.24335	2.5
323.25824	2.2
340.02182	1.1
347.25928	10.7
349.23688	1.3
365.23358	7.8
365.27017	91.4
366.23740	1.7
366.27390	12.5
367.24902	3.1
391.24762	1.6
409.25891	6.3
417.17783	1.5
417.22806	6.7
442.96274	1.1
453.24579	18.5
453.29678	2.7
454.25150	1.8
456.43585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
58.00583	3.8
59.01381	100.0
60.01691	1.5
61.98834	11.3
69.03457	1.8
71.01382	57.4
72.01716	2.0
72.99297	5.7
73.02943	10.0
78.95886	4.2
79.95754	1.9
83.01387	3.6
85.02946	9.8
86.57877	1.7
87.00902	8.2
89.02447	98.3
92.09940	1.8
96.96008	7.3
99.00859	1.8
101.02448	47.6
103.03973	2.3
107.01378	2.7
113.02464	12.7
117.05571	2.4
119.03476	6.1
123.00844	2.5
125.02460	8.4
125.09721	1.8
131.03517	42.7
139.04015	3.0
143.03513	1.8
145.02977	4.1
149.04565	93.2
150.04906	3.2
163.03995	2.4
169.01396	7.0
171.55148	1.6
179.05663	3.8
190.41681	1.6
191.05637	18.2
211.02539	2.0
229.04953	4.4
237.61916	1.6
247.02443	1.8
271.04681	3.2
273.00293	1.8
275.02075	1.9
293.08847	1.8
300.99942	3.9
335.51251	1.9
390.13675	2.9
393.17661	46.7
394.18088	6.2
453.13583	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	453.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19575	0.3
56.59888	0.3
59.01374	0.4
69.55794	1.9
69.56206	0.5
71.01408	0.4
79.95741	4.1
80.96515	0.3
95.95242	2.3
96.96018	100.0
97.95950	0.7
113.32462	0.3
138.97035	0.5
175.78879	0.3
211.13385	0.5
273.08041	3.9
291.09100	3.9
304.46219	0.3
333.10132	4.8
334.10339	0.6
363.11270	2.2
393.12292	4.8
453.14371	48.3
454.14673	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	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03454	0.9
57.32212	0.3
59.01383	6.9
61.98840	0.4
65.00337	0.4
67.01896	0.8
68.29297	0.3
68.99844	0.3
69.03459	1.1
69.44829	1.5
69.45242	0.5
71.01382	7.1
72.99332	0.7
73.02953	1.4
79.01903	1.0
81.03463	0.4
83.01392	1.3
83.18266	0.2
85.02959	3.2
87.00891	0.7
89.02463	2.1
93.03440	0.5
95.01392	2.0
96.96037	0.3
97.02962	1.5
99.00866	0.7
101.02449	5.3
107.01396	8.1
109.02979	0.7
110.00114	0.3
111.00914	1.9
113.02467	3.0
117.03447	0.3
120.99660	1.7
121.02946	0.3
123.00893	12.7
123.04535	0.5
124.01678	19.6
125.02455	46.3
126.02792	1.8
127.00364	0.7
129.01880	0.3
131.03490	1.5
135.04587	0.4
136.98814	1.5
137.02438	1.2
138.03217	0.4
139.00400	3.9
139.04015	27.6
139.63680	0.3
140.01169	2.6
140.04359	0.9
141.01949	1.5
145.02940	0.5
149.02492	0.4
149.04523	0.5
151.00371	9.0
151.01552	0.6
151.03981	0.6
153.01955	0.9
159.03050	0.4
161.04576	1.1
163.04013	0.4
165.01912	2.2
168.00647	2.9
169.01428	54.0
170.01784	2.4
175.04004	0.3
179.03516	0.8
180.04303	0.8
181.05028	0.3
183.03012	1.3
190.02754	0.4
191.03508	0.4
195.06610	1.2
205.05090	0.3
211.02454	1.3
225.07625	1.0
233.04530	0.5
241.03537	1.2
247.02425	1.6
253.03603	0.4
261.13455	3.2
273.00378	0.5
275.01926	0.6
289.07150	0.9
291.01517	0.6
300.99841	1.2
302.00287	0.3
313.05643	17.4
314.06110	0.9
315.08731	0.4
327.07159	0.5
327.68057	0.3
352.46118	0.3
379.30798	0.3
391.02676	0.4
393.17657	14.7
394.17911	1.7
396.78165	0.3
398.76926	0.3
405.15570	0.3
438.08060	0.3
453.10364	100.0
454.10712	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	453.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23082	0.6
59.01377	2.1
61.98807	0.7
69.03453	0.8
71.01374	1.8
73.02934	0.6
73.26514	0.7
75.00901	0.7
75.25996	0.6
80.43245	0.6
81.03421	0.7
83.01397	0.8
85.02948	1.9
95.01380	2.0
97.02959	0.8
99.00850	0.7
101.02456	2.0
107.01397	7.9
111.00859	2.1
113.02446	1.9
118.22109	0.7
120.99635	1.2
122.99999	0.9
123.00885	12.0
124.01670	19.0
125.02457	44.6
126.02789	1.7
127.00350	0.7
136.98808	0.8
137.02434	1.7
139.00378	4.4
139.04015	27.4
140.01137	2.8
140.04359	1.2
141.01952	1.6
143.03476	0.7
151.00368	9.3
151.04021	0.8
153.01973	1.0
165.01884	3.6
166.02757	0.8
168.00603	2.7
169.01431	55.4
170.01758	1.9
172.31012	0.7
179.03519	2.1
180.04253	2.1
183.02901	1.8
192.97462	0.7
195.06636	2.0
203.03465	0.8
211.02414	1.4
225.07631	2.2
241.77951	0.7
313.02145	1.3
313.05643	17.2
314.05899	1.6
327.07373	1.0
393.17596	1.0
453.10361	100.0
454.10712	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	453.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
67.01881	1.1
69.03458	0.9
70.18273	1.8
71.01384	3.3
72.99297	0.7
73.02947	0.8
79.01880	1.3
83.01377	1.5
83.45065	0.5
85.02943	2.0
94.37722	0.6
95.01392	1.5
97.02966	0.9
101.02450	1.8
107.01396	7.6
111.00892	2.7
113.02460	2.4
119.54453	0.5
122.99995	0.5
123.00887	14.4
124.01673	25.8
125.02460	34.5
126.02799	1.6
127.00381	1.0
136.98781	1.5
137.02466	0.7
138.03212	1.2
139.00381	5.1
139.04002	8.1
140.01181	4.6
141.01918	1.6
151.00380	7.8
165.02011	0.6
166.02728	0.5
167.03577	0.8
168.00653	7.1
169.01434	38.3
170.01791	1.6
183.03006	5.7
195.54355	0.5
201.08704	0.5
211.02405	1.2
225.04027	1.0
285.06223	1.2
297.06238	1.7
313.05682	8.2
314.06271	0.7
327.07175	2.8
453.10385	100.0
454.10687	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	453.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27721	0.3
57.03403	0.3
59.01371	0.6
69.71634	2.0
69.71944	0.5
71.01369	0.5
76.02971	0.3
79.95742	3.7
80.96544	0.4
95.95224	1.7
96.96016	100.0
125.24928	0.3
135.94810	0.3
138.97064	0.5
211.13370	0.4
247.10094	0.4
262.13751	0.3
273.08054	3.9
291.09109	4.6
299.01862	0.3
333.10126	5.6
334.10516	0.8
363.11096	3.2
393.12277	4.9
393.16989	0.5
394.12509	0.8
395.49481	0.3
453.14383	46.7
454.14645	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	453.144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
69.33765	1.9
69.34193	0.4
79.95748	2.9
95.95229	0.3
96.96018	100.0
97.95957	0.3
99.90015	0.2
104.00167	0.2
112.14481	0.2
138.24043	0.2
183.58505	0.2
251.26437	0.3
273.07968	1.5
291.09091	2.3
333.10205	1.7
363.11166	2.7
364.11609	0.3
393.12320	2.3
394.12296	0.3
453.14389	40.6
454.14651	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11420	0.2
54.88119	0.2
56.84756	0.2
57.02065	0.3
57.03447	0.3
59.01384	3.6
61.98838	3.1
69.03465	0.5
69.28745	2.7
71.01389	1.8
73.02953	0.4
75.00877	0.3
79.95748	5.2
85.02960	1.5
89.02467	0.8
93.03435	0.5
95.01398	0.4
95.05021	0.3
96.96015	100.0
97.02964	0.5
97.95979	0.7
98.95622	0.4
101.02443	1.0
107.05005	0.3
109.02949	0.8
110.97623	0.3
113.02470	0.7
117.05597	0.4
119.03530	0.4
119.05002	0.3
120.99702	0.3
121.02950	0.9
123.00890	0.8
123.04507	0.8
124.01644	0.6
125.02450	4.3
135.04523	0.4
137.02451	1.3
139.04039	0.6
145.02995	0.7
147.04553	0.7
151.00378	0.3
151.04010	0.4
153.01942	0.3
159.08397	0.3
161.02419	0.7
161.04547	0.4
163.04097	0.3
166.99893	0.3
167.03491	1.1
169.01411	3.3
170.01825	0.5
175.04037	0.6
177.01927	0.8
177.05566	0.2
186.27736	0.3
189.01907	0.4
191.03500	0.4
199.09677	0.3
218.02089	0.5
221.19109	0.3
229.01477	0.4
243.57823	0.3
245.01305	0.3
245.04129	0.3
247.02509	0.7
269.08203	0.9
274.01352	0.4
275.01901	1.2
283.09772	1.1
291.09076	1.8
299.98950	0.4
300.99860	3.0
302.00174	1.1
342.07187	0.3
343.07620	0.4
343.11810	0.4
374.25531	0.6
376.54633	1.7
377.04575	0.6
378.04147	0.5
393.24969	0.4
409.22427	0.5
452.55133	0.3
453.08582	24.4
453.14478	8.9
453.24762	0.9
453.30170	0.8
454.09213	3.2
454.14676	1.6
454.20596	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	453.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98820	2.3
67.01889	0.9
69.03448	1.3
69.51758	1.6
69.52177	4.3
70.49004	0.6
71.01383	4.4
71.05029	1.3
73.02919	1.1
79.01901	1.1
83.01373	1.5
85.02957	2.6
87.00855	0.8
95.01389	3.5
101.02446	1.9
104.54962	0.6
105.03400	0.7
106.04237	1.5
107.01386	6.8
109.02923	0.9
111.00875	3.0
113.02437	1.5
117.05566	9.1
119.05023	1.0
121.02950	1.1
123.00890	17.6
124.01673	20.4
125.02457	34.6
126.02735	1.3
136.98862	1.2
137.02444	1.4
138.03197	1.4
139.00426	5.2
139.04013	6.9
140.01126	3.2
141.01970	1.5
145.02945	2.2
147.04527	1.8
149.02399	0.9
151.00371	6.2
151.04060	1.2
153.01866	1.0
159.04488	1.8
161.02437	1.8
163.03947	1.3
165.01839	0.8
167.03520	1.0
168.00667	6.1
169.01433	36.3
170.01790	1.8
173.02425	2.4
174.03157	2.0
175.03984	8.3
176.04453	0.8
177.01939	0.9
177.05566	0.9
183.02963	5.2
187.17909	0.7
189.01906	2.7
190.02731	14.5
191.03474	5.9
201.01793	0.9
202.02625	1.7
203.03482	11.5
204.03622	1.2
211.02368	1.5
217.01408	15.2
218.02217	14.1
219.02933	3.6
221.04558	2.2
229.01430	0.9
245.00861	1.2
246.01689	54.5
247.02461	100.0
248.02811	7.3
273.00482	2.2
275.01984	2.2
285.06201	1.3
290.00427	1.1
291.01462	4.6
297.06213	1.0
300.99863	3.3
313.05579	7.1
314.05887	0.7
327.07227	1.7
376.02795	1.0
390.11197	5.5
391.03012	2.6
391.53244	0.9
409.07779	55.0
410.07999	7.6
434.07849	0.7
453.05661	16.4
453.10300	64.7
454.11591	10.9
463.38290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.01957	2.2
70.73975	7.0
85.02966	3.1
86.03243	2.2
96.96004	3.3
105.40035	2.5
110.16171	2.3
132.56178	2.3
154.17409	2.4
286.43106	2.4
452.31079	4.0
453.29385	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	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.44487	0.2
61.98825	0.5
69.58553	1.2
69.58961	0.6
78.50794	0.3
78.95910	18.2
87.31471	0.2
99.04546	0.6
100.94810	0.2
122.00143	1.0
140.01192	4.8
152.99620	1.8
171.00728	0.3
192.44234	0.4
196.03810	9.4
214.04866	1.8
255.23314	100.0
256.23651	10.6
277.85828	0.3
297.88110	0.3
311.94418	0.3
326.07870	0.3
452.27838	24.0
453.28113	3.5
453.34052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75095	0.5
57.01964	0.5
57.21936	0.4
58.89468	0.4
59.01391	1.4
67.01904	0.5
69.03454	0.6
69.57253	1.0
69.57652	3.0
71.01391	1.8
71.05045	2.4
85.02934	0.5
95.01392	0.9
97.02959	0.5
98.20538	1.1
101.02472	0.6
107.01400	2.3
109.02959	0.5
110.00092	0.4
111.00899	0.8
113.02440	0.6
117.05589	19.7
118.06016	0.5
123.00896	5.1
124.01689	5.8
125.02468	9.8
136.98814	0.4
139.00349	1.3
139.04030	2.3
140.01184	1.1
145.02946	1.1
147.04527	1.4
151.00352	2.2
161.02538	0.6
163.04027	0.9
168.00636	1.1
169.01448	10.3
170.01695	0.6
173.02405	1.6
175.03969	1.1
181.49635	0.5
183.03003	1.5
189.01968	1.4
190.02698	5.6
191.03465	5.5
201.01892	0.5
203.03508	0.9
217.01443	4.2
218.02238	5.2
219.03001	3.1
229.01447	1.0
245.00729	0.6
245.99077	0.9
246.01688	19.1
247.02472	100.0
248.02840	6.5
273.00565	1.1
275.01974	1.3
284.39313	0.5
291.01572	1.0
300.99918	2.3
313.05682	1.2
327.07480	0.8
391.02884	1.1
409.07782	15.5
410.07971	1.4
453.05847	7.7
453.10373	20.7
454.06558	1.8
454.11108	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	452.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36501	1.4
55.01885	1.4
59.01377	2.5
59.81298	1.7
61.98838	100.0
71.05060	2.0
71.60822	1.9
73.95426	1.5
83.01395	1.6
84.89437	1.5
85.64471	1.4
95.05005	4.0
97.34579	1.6
111.48480	1.6
113.02467	2.0
125.02480	2.3
139.04039	10.1
165.02002	3.0
180.49683	1.4
340.11166	1.7
371.18555	5.2
389.23383	30.3
390.23703	4.7
451.07043	1.5
452.24854	2.8
452.30780	4.9
453.32916	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	452.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58153	7.1
61.98830	100.0
70.34553	18.8
70.34911	13.3
79.82187	7.2
85.02956	22.4
103.06510	7.3
141.99133	8.3
154.33209	7.7
167.03477	11.4
240.59639	8.3
278.83731	8.2
283.88876	8.2
311.23712	8.4
350.77707	9.3
352.29385	12.7
389.26941	12.5
452.30905	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68550	1.6
51.78749	2.1
57.59332	1.7
61.98836	100.0
70.92924	4.3
81.03460	4.2
82.50752	1.9
89.80547	1.8
96.71094	1.9
103.43823	1.7
140.17178	1.6
164.05403	2.0
195.20253	1.7
321.36139	1.9
345.27942	5.3
389.27023	37.2
390.27347	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	452.229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	56.5
69.67145	2.9
69.67555	2.4
70.12872	0.8
72.86872	0.8
81.44779	0.8
84.54065	0.7
94.92995	0.7
95.23423	0.7
97.04105	0.7
98.20606	1.5
105.18814	0.7
202.03389	0.8
239.49533	0.7
352.47665	0.9
370.21198	1.1
453.33713	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	452.229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.05180	3.4
70.17074	0.8
74.31542	0.9
77.54585	0.7
110.57748	0.8
130.90977	0.8
136.62976	0.8
139.04013	1.9
368.20258	0.8
452.31018	1.0
453.27094	1.4
453.33633	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	452.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98835	100.0
67.58041	0.8
70.12240	2.7
71.05029	1.5
78.95859	0.9
95.05051	1.7
96.95956	0.8
97.03012	1.0
99.04465	0.9
109.02972	0.9
116.91574	0.8
123.04486	0.8
125.02464	1.6
125.06087	1.2
127.04028	1.5
139.04030	4.5
151.03996	1.2
155.57906	1.0
167.07016	1.0
203.94275	0.8
273.18536	1.4
292.81171	0.9
333.01208	1.0
375.21698	2.5
389.23370	33.0
390.23575	4.1
453.24829	12.5
453.30069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80465	0.9
59.01381	1.8
61.98837	100.0
68.53312	1.2
71.60422	1.0
73.55853	0.9
81.03468	2.1
83.05083	1.6
85.02979	2.0
95.01395	1.4
96.96054	1.1
97.01273	1.1
97.06635	1.4
98.15332	1.1
104.97135	0.9
124.01695	1.6
125.02458	7.6
125.06101	1.0
151.04007	1.2
152.01233	1.3
153.05600	2.9
166.02693	2.3
179.03508	4.5
207.72629	1.2
219.13933	2.6
263.12827	1.9
364.21613	1.3
389.19766	50.6
390.20166	7.2
435.17877	1.1
452.23270	6.8
453.24414	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	452.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96856	1.4
57.00641	1.2
58.67096	1.3
59.01366	3.0
61.98835	100.0
69.49928	11.0
69.50256	2.3
76.30403	1.4
78.95920	1.5
81.03476	4.0
125.02444	4.7
125.03340	1.2
125.48421	1.6
244.20403	1.3
255.23291	5.0
329.17529	9.1
339.42215	1.5
371.46713	1.4
389.19720	25.4
390.20074	2.6
439.87372	1.5
452.28665	1.8
453.33835	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01378	3.9
61.98837	100.0
69.03464	2.2
71.60262	1.4
73.02966	1.5
81.03458	2.9
83.01434	1.7
83.05060	1.7
85.02975	2.3
87.44421	1.2
94.37073	1.2
95.01411	4.8
96.24860	1.2
100.89830	1.0
123.00893	3.4
124.01680	2.7
125.02451	22.5
126.02803	4.6
139.04109	2.3
151.00401	2.7
152.01137	6.1
153.05595	3.2
161.02567	1.4
166.01405	1.3
166.02769	4.4
177.02008	1.5
179.03542	6.6
193.05023	1.1
207.06691	2.1
208.07210	1.2
219.13983	1.2
262.12158	2.3
389.19739	65.5
390.20013	8.8
451.34277	3.4
451.99542	1.6
452.23706	23.7
452.34860	3.5
453.12189	1.5
453.23950	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	452.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71210	1.3
57.03456	1.9
59.01384	2.4
61.98832	100.0
70.03640	5.7
81.03458	5.0
83.01405	2.4
89.46116	1.3
123.22212	1.5
125.02435	19.2
142.48944	1.5
179.03488	1.7
179.25670	1.4
189.27644	1.4
223.32974	1.4
236.71796	1.8
271.17072	2.4
315.15930	2.1
371.18634	4.1
389.19699	76.2
390.20035	10.3
410.34875	1.6
453.29962	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83767	1.1
53.78965	1.0
57.03453	1.7
59.01380	1.3
61.98836	100.0
63.87568	0.9
70.08579	1.1
70.35009	1.0
70.35358	3.8
70.68018	1.0
78.77436	1.0
81.56360	1.0
83.01401	1.4
83.05113	1.4
86.91977	1.0
98.20074	1.6
125.02460	14.8
139.05035	1.0
150.92458	1.1
153.05634	2.0
210.39905	1.2
286.98022	1.2
290.92587	1.3
389.19757	11.6
390.19870	1.2
452.19733	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	452.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
58.00608	0.7
59.01382	15.2
61.98551	0.5
61.98845	2.2
64.25644	0.5
67.01904	1.4
69.03474	0.8
69.54469	3.7
71.01385	14.1
71.01754	0.9
72.99333	1.2
73.02943	3.4
79.01926	0.6
81.03497	0.6
83.01420	1.3
85.02518	0.6
85.02940	2.8
87.00900	1.1
89.02450	17.3
95.01427	2.3
96.96044	1.7
97.02984	1.8
98.60999	0.6
99.00883	3.8
101.02452	7.3
101.21902	0.5
107.01396	6.1
107.02047	0.7
109.02973	0.6
110.00096	0.5
111.00920	2.3
117.05613	1.8
119.03529	2.5
123.00902	17.6
123.02486	0.9
123.03249	5.1
123.04568	1.2
124.01760	1.0
125.02459	38.6
126.02794	1.4
131.03568	1.9
136.98860	1.1
137.02489	1.7
138.05615	46.8
138.57251	0.5
139.00371	5.5
139.04041	0.6
139.06017	2.1
140.01180	3.8
141.01978	1.9
143.03537	0.6
145.02998	2.1
149.04573	9.2
151.00375	11.2
151.04002	0.6
152.00835	0.6
153.05650	2.1
161.02635	0.6
161.04636	1.3
163.04066	0.5
165.01955	3.4
168.00665	4.0
169.01433	46.2
170.01750	2.5
178.99916	0.7
179.03571	1.5
179.05710	1.3
180.04366	1.5
180.06732	1.3
181.00388	0.6
191.05672	1.5
194.05913	0.8
195.06638	2.6
195.66855	0.5
211.02490	3.1
221.06689	0.7
225.07779	1.7
233.59746	0.5
244.03114	0.6
245.00943	0.5
247.02473	1.1
251.07713	1.0
253.03813	0.9
259.02524	0.9
260.02820	0.6
260.65994	0.6
261.13580	0.6
271.02505	1.8
271.04944	1.0
272.02774	3.6
273.00443	0.6
273.03159	2.4
274.03305	3.0
287.02228	1.0
288.02512	1.8
289.02750	2.1
290.02783	2.8
300.11139	0.6
301.00079	1.2
313.05673	6.3
316.02408	2.3
317.02597	7.8
318.02838	8.2
318.06259	0.7
319.03015	14.4
320.03769	2.0
328.71216	0.5
377.03607	0.6
393.17688	15.9
452.12369	100.0
453.12762	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	452.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
61.98839	2.1
67.01907	0.3
69.03461	0.7
69.45638	1.8
69.46047	0.4
71.01382	3.5
71.01714	0.3
72.99298	0.3
73.02960	0.8
77.61925	0.2
79.01900	0.4
81.03464	0.7
83.01398	0.8
83.05028	0.6
83.72535	0.3
85.02955	0.6
89.02463	0.4
92.37399	0.3
95.01392	1.0
96.96015	0.8
97.02956	1.0
101.02467	1.1
107.01399	5.2
108.02184	13.6
111.00880	0.8
121.02981	0.3
122.02568	0.3
123.00890	5.2
124.01687	0.9
125.02454	30.3
126.02795	1.1
127.00363	0.6
136.98825	0.5
137.02461	0.5
138.01979	100.0
139.00438	2.0
139.02327	3.6
140.01155	1.1
141.01944	0.5
145.03017	0.4
151.00366	4.3
151.02678	0.3
152.00749	0.3
153.01927	0.4
165.01865	0.4
167.03552	0.3
168.00661	1.6
169.01434	44.0
170.01749	2.2
173.02663	0.3
179.03436	0.3
211.02504	2.1
223.02498	0.3
241.03491	0.8
247.02284	0.3
253.03650	0.6
271.04498	1.5
272.04926	0.4
295.04675	0.3
300.99667	0.3
313.05655	67.4
314.06024	5.6
377.03308	0.5
449.74658	0.3
451.32794	2.4
452.08286	30.9
452.33109	1.5
453.08536	4.4
453.14063	0.4
453.22772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
59.01376	3.2
61.98827	9.8
70.07501	1.6
70.07922	1.9
71.01388	4.4
71.15475	0.6
73.02935	2.3
79.01888	0.8
83.01397	1.1
85.02950	3.3
87.00849	1.4
89.02453	0.7
89.78746	0.7
93.55808	0.7
95.01381	2.5
97.02962	0.8
98.19963	1.2
99.00867	1.0
101.02442	4.3
103.03998	0.8
107.01392	4.0
109.02937	0.9
111.00881	2.9
113.02455	1.6
117.05573	1.1
123.00888	14.9
124.01688	6.1
125.02451	18.9
125.42945	0.7
127.00353	0.8
136.98799	0.9
137.02423	1.3
139.00412	5.2
139.04021	1.7
140.01184	3.3
141.01958	2.2
141.58815	0.6
145.02951	1.0
147.04549	0.9
151.00380	11.3
151.03999	0.9
161.02444	1.5
161.04568	1.3
163.00293	0.9
163.03987	1.5
165.01860	0.7
168.00587	4.5
169.01419	26.2
170.01762	0.9
173.02333	1.0
174.03209	0.9
175.03993	2.8
181.05046	0.8
190.02702	1.0
191.03477	1.5
201.01753	1.0
203.03487	6.6
211.02388	1.2
217.01405	1.2
218.02171	1.0
229.01460	1.1
232.03427	0.8
245.00945	1.4
246.01675	1.9
247.02478	9.4
258.01358	0.9
259.02112	1.1
271.04568	0.9
273.00443	2.7
274.01297	1.3
275.01901	6.8
276.02258	8.4
289.07156	1.1
290.07574	2.7
291.01492	1.0
300.99857	3.4
312.95105	0.9
313.05582	2.9
365.08719	0.8
389.10895	100.0
390.11212	12.4
390.52802	1.4
391.02753	1.9
409.07770	1.3
452.05530	5.0
452.10336	1.3
453.10754	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03447	1.5
58.00600	0.6
59.01358	0.5
69.76192	0.4
70.09400	1.7
71.05054	0.4
73.02956	0.7
79.01900	2.3
83.05007	0.6
85.06597	7.0
91.05525	0.5
95.05018	0.6
97.02955	1.7
97.06604	1.0
107.05054	0.8
109.06606	13.4
110.07008	0.7
111.04533	5.2
111.08156	0.7
135.04514	2.0
135.08176	0.5
136.05302	0.8
141.12881	4.2
153.05585	49.2
154.05959	2.4
171.13913	2.2
179.03506	1.6
217.15822	0.4
297.24466	0.8
344.67737	0.4
349.27322	0.5
351.29077	0.5
389.30692	1.2
405.29907	0.7
407.31671	1.8
415.24829	0.5
433.29434	0.6
451.30646	100.0
452.24786	0.9
452.30945	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03435	2.3
59.01361	1.9
61.98830	1.1
69.58635	0.5
71.04993	1.1
71.60590	0.6
79.01862	2.0
81.03442	1.3
85.06594	6.8
87.00841	0.5
97.02933	2.7
97.06577	2.4
99.04534	17.7
99.08134	0.7
107.05016	1.4
109.06603	12.3
111.04538	6.9
111.08154	0.9
113.09749	4.0
123.04519	0.8
123.43385	0.6
125.02391	1.8
125.06074	1.4
125.09721	2.7
135.04521	2.7
138.03137	0.7
143.10741	2.4
149.06090	1.2
153.05597	53.8
154.05960	2.7
179.03563	1.3
201.09021	0.6
207.39317	0.6
253.97318	0.6
281.24783	1.1
297.24261	0.6
351.28940	1.1
389.30222	1.4
395.31635	1.4
407.31400	2.3
407.35962	1.0
451.30328	100.0
452.30634	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	451.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64440	0.1
57.03445	0.1
58.02978	0.4
59.01384	1.9
61.98836	5.7
69.03466	0.2
71.01387	1.3
71.60871	0.2
72.99294	0.2
73.02942	0.3
78.95920	0.2
80.05058	0.4
81.03465	8.8
82.03809	0.2
83.05032	24.5
84.05360	0.6
85.02958	0.5
87.00884	0.2
89.02456	0.3
93.03469	0.9
95.01392	0.3
96.96014	0.7
98.20743	0.1
100.07684	0.2
101.02450	0.6
107.01383	0.5
107.06169	0.8
108.02182	1.3
108.04568	0.9
111.00893	0.3
111.04562	0.2
113.02454	0.5
117.05588	0.7
121.02962	0.2
123.00914	0.7
123.04475	0.1
124.01734	0.2
125.02455	5.0
125.07219	3.0
126.05589	0.3
137.02461	1.4
138.01981	12.6
139.00378	1.5
140.01181	0.3
141.09242	0.2
143.08281	1.3
151.00398	0.7
153.01920	1.0
154.02721	1.3
155.03558	0.3
157.08707	0.3
165.01892	0.2
167.03568	0.2
168.00679	0.2
169.01445	5.7
169.05035	0.8
173.55367	0.1
181.65562	0.2
184.31274	0.1
191.05598	0.1
196.22513	0.1
199.18381	0.2
203.09096	0.2
206.16606	0.2
207.15033	2.8
208.13448	0.3
208.15303	0.2
211.02524	0.2
222.16130	0.1
224.17686	4.8
225.16093	11.6
225.17940	0.5
226.16412	1.0
242.18747	1.7
250.15523	0.2
251.11398	0.1
268.16727	0.4
271.04718	0.1
275.02179	0.2
281.06693	1.7
290.22433	0.3
300.99835	0.1
307.24023	0.2
309.21710	0.3
313.05658	8.7
316.05792	0.1
318.02838	0.2
319.21255	0.5
324.26605	1.7
333.22986	4.2
334.23187	0.3
341.06668	0.2
351.24002	1.0
365.14529	0.2
367.27139	1.3
368.27515	0.2
385.28256	0.5
388.13156	0.3
433.31866	5.6
434.32330	0.7
451.12750	2.0
451.32922	100.0
452.08142	3.8
452.33237	17.0
459.99734	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	451.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62419	2.3
50.95280	1.8
57.03438	3.2
57.67516	1.8
59.01363	6.9
60.37934	2.0
60.78998	2.2
61.98840	26.8
68.63892	2.0
71.61120	2.3
73.02938	3.2
77.47099	2.0
81.03437	2.2
85.02961	97.4
86.03313	2.2
87.00471	2.0
87.00893	24.2
99.04503	9.2
111.00871	6.1
115.04018	4.8
123.04514	8.1
125.02486	13.2
127.04033	5.7
132.26468	2.2
138.03212	3.0
139.04073	2.9
143.03497	6.6
166.02667	2.8
167.03537	12.4
225.96062	2.3
229.66376	2.4
283.26398	4.8
307.26431	13.7
309.27982	5.1
319.29932	2.5
345.28036	3.1
351.29077	36.3
352.29349	6.7
389.26865	11.7
391.28549	39.4
392.28790	7.4
413.26984	10.5
433.29471	3.2
451.25027	6.9
451.30511	100.0
452.25201	3.3
452.31076	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03459	2.3
58.00579	0.7
59.01382	2.0
61.98806	0.8
66.90837	0.4
69.48923	1.4
69.49354	1.8
70.57137	0.4
71.04989	1.2
73.02936	0.6
79.01878	2.6
81.03449	1.1
85.06599	7.5
86.06901	0.5
87.00847	0.5
91.05528	0.5
93.03447	0.5
97.02946	2.0
97.06585	2.3
99.04526	16.8
99.08148	0.8
107.04993	1.4
109.06602	12.3
111.04530	6.8
111.08147	0.5
113.09734	5.2
123.04526	0.6
123.08131	1.3
125.02374	1.7
125.06062	1.6
125.09669	1.9
134.74422	0.4
135.04538	2.2
136.05305	0.8
141.09200	0.5
143.10788	2.4
149.05980	0.5
151.03984	0.8
153.05582	53.7
154.05820	2.0
179.03441	1.3
180.04128	0.5
190.06082	0.4
281.24615	1.2
297.24292	1.3
351.28772	0.7
389.30322	2.0
395.31354	1.5
405.29855	1.1
407.31183	1.6
407.35150	2.0
433.29129	1.1
451.30298	100.0
452.30508	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	451.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03448	6.7
59.01382	1.8
65.00317	0.7
69.03455	0.9
71.01374	1.3
73.02955	1.9
81.03459	7.7
83.01382	3.5
83.05054	0.9
84.02190	0.5
85.02960	5.3
95.01390	4.3
95.05038	3.0
97.02949	2.7
99.04517	0.7
107.01407	0.8
109.06588	0.4
111.00864	0.4
122.03745	0.8
123.00886	2.4
123.04532	0.4
124.01675	5.0
125.02450	69.3
126.02789	2.1
135.04498	0.7
139.00330	0.9
139.04007	0.7
140.01184	0.4
149.06087	0.5
151.00356	4.4
152.01149	7.3
153.05577	2.4
165.01987	0.6
166.02715	5.9
177.09193	0.3
179.03497	8.2
180.04236	1.3
181.15979	0.5
183.13892	0.4
191.10696	0.8
193.05119	1.5
205.16013	1.6
207.06651	0.4
207.13893	0.5
208.27463	0.3
212.03314	0.6
221.08194	1.7
223.17090	0.7
228.27293	0.3
233.15472	0.5
235.09756	3.4
236.10243	0.7
247.14662	0.5
247.17027	4.6
259.16974	0.4
268.09641	0.5
273.14948	0.4
275.16522	0.4
289.14441	0.3
290.15195	0.6
291.16025	3.0
303.15826	0.5
319.15585	0.5
377.19577	1.2
409.22311	0.4
451.23373	100.0
452.23691	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	451.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.1
59.01383	1.4
62.68738	0.3
69.03464	1.5
70.70057	0.6
70.70397	0.8
71.01404	0.7
71.05005	0.4
73.02951	1.1
78.85332	0.3
81.03463	6.2
81.60947	0.4
83.01378	2.1
83.05056	0.6
84.02184	0.8
85.02949	6.4
95.01395	4.6
95.05043	1.0
97.02959	1.4
97.06610	0.4
99.04518	0.6
107.01398	0.4
109.06596	0.4
111.00894	1.0
122.03757	0.8
123.00888	1.8
124.01667	5.8
125.02454	64.1
126.02787	2.4
135.04543	0.7
151.00388	4.5
152.01166	7.0
165.01932	0.6
166.02707	7.0
177.09230	0.6
179.03502	8.9
180.04042	0.7
191.10764	1.0
193.05063	1.7
205.16020	1.5
207.06683	0.9
207.13898	0.9
221.08199	1.2
223.17061	0.9
235.09770	3.1
236.10385	0.9
247.17015	3.2
248.17360	0.4
249.11343	0.4
275.12695	0.5
290.15295	0.5
291.16080	2.7
424.34778	0.4
451.23376	100.0
452.23743	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09091	0.4
52.45878	0.4
55.01874	0.9
57.03445	1.5
58.11220	0.4
59.01381	1.1
69.03463	0.8
71.01382	0.9
71.05025	0.8
71.59866	0.8
73.02956	1.5
78.81638	0.4
79.01913	1.6
81.03464	1.1
83.01326	0.4
83.05027	0.8
85.02966	4.1
85.06599	9.0
95.05020	2.4
95.41603	0.4
97.02932	2.6
107.05026	0.6
109.06603	4.4
111.04537	5.0
121.97264	0.4
125.02465	3.0
135.04552	1.0
139.03996	0.6
147.23280	0.4
151.04021	0.8
152.04784	1.1
153.05580	85.7
154.05934	4.3
154.48474	0.5
165.01945	1.1
165.05527	0.4
166.20340	0.4
179.03505	3.9
180.04292	7.1
191.14391	1.0
193.05069	1.9
194.05923	2.4
207.06602	4.6
208.07214	0.9
212.03268	1.7
221.08205	1.4
226.80521	0.4
235.09772	1.6
236.10565	1.8
247.17029	2.6
275.12909	0.8
290.15256	1.3
291.16000	2.2
345.87131	0.4
364.87708	0.5
377.19492	0.6
451.23370	100.0
452.23694	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	451.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77007	0.5
55.01879	1.3
56.44777	0.5
57.03450	2.3
59.01381	1.5
68.46111	0.5
69.03459	0.6
71.01409	0.9
71.66974	0.5
73.02935	1.9
79.01904	1.6
81.03472	1.7
83.01379	0.6
83.05052	0.6
84.02190	0.6
85.02956	4.8
85.06595	10.1
89.46814	0.5
93.10253	0.5
97.02951	2.6
97.06622	0.6
101.02442	1.0
107.05061	0.7
109.06601	5.8
111.04520	5.8
125.02451	4.6
135.04572	1.0
138.03401	0.7
139.03984	0.7
151.04047	0.8
152.04774	1.7
153.05585	93.9
154.05952	3.8
163.07674	0.6
165.01915	2.2
171.87263	0.5
179.03477	4.0
180.04272	8.7
181.04697	0.6
191.10674	0.5
191.14484	0.7
193.05022	1.6
194.05783	2.7
207.06645	5.5
208.07372	1.8
212.03284	1.1
221.08211	2.3
229.21748	0.7
229.83646	0.6
235.09770	2.2
236.10504	2.0
247.16968	2.3
275.12878	0.6
278.98422	0.6
289.85522	0.5
290.15240	2.1
291.15988	2.4
319.21252	0.7
405.26190	0.6
451.23373	100.0
452.23703	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	451.1264
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
59.01385	11.7
61.98838	3.0
67.01886	1.6
69.47501	5.4
71.01387	5.3
71.05023	1.2
72.99348	1.3
79.01870	1.3
83.01400	1.3
83.06561	0.6
85.02953	1.6
89.02455	4.5
93.03473	6.7
95.01425	2.2
98.96992	0.7
101.02463	4.0
106.00582	0.8
107.01406	6.1
109.02985	1.2
111.00903	2.9
113.02491	2.9
117.05612	4.0
119.03542	1.3
119.05080	2.2
123.00903	20.9
123.04468	0.7
124.01701	1.4
125.02463	24.5
126.02791	0.9
127.00425	1.2
136.98842	1.9
137.02470	11.3
137.06067	1.2
139.00420	7.9
139.03981	1.2
140.01207	5.5
141.01933	3.3
147.39360	0.7
151.00400	15.1
151.01564	1.3
152.01132	1.9
153.01994	2.2
153.73593	0.7
161.02426	0.8
167.05745	0.6
168.00652	4.9
169.01454	34.0
170.01833	1.6
180.48499	0.7
189.07759	1.4
211.02515	5.0
235.33711	0.7
239.32924	0.8
271.04715	3.2
288.02786	0.8
300.99887	0.8
313.05667	10.6
313.08856	0.9
318.02838	1.3
319.03848	0.9
333.12192	1.0
339.96252	0.7
368.62613	0.7
407.09958	1.2
451.12732	100.0
452.12933	15.6
452.18860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14139	0.6
57.03499	1.2
59.01385	17.0
61.98830	4.5
65.00384	0.7
67.01946	1.2
69.03500	1.2
69.64335	2.4
69.64745	1.8
71.01384	10.8
71.05066	1.9
72.99348	1.9
73.02997	2.1
73.52838	0.6
78.88012	0.7
79.01939	1.0
81.03472	1.3
83.01430	2.0
85.02971	3.8
87.00887	1.4
89.02447	4.6
93.03465	60.1
94.03857	2.1
95.01418	2.3
96.96052	1.9
97.02972	0.9
98.20583	1.5
101.02451	4.6
107.01397	8.6
107.05049	1.0
108.04685	0.8
109.02975	1.3
111.00887	3.2
113.02499	3.2
117.05589	15.2
119.03547	1.3
119.05080	1.1
121.02995	1.3
123.00896	13.1
123.04568	1.2
124.01680	1.8
125.02457	55.4
126.02791	1.5
127.00418	0.8
135.04535	1.4
137.02454	100.0
138.02780	4.2
139.00386	5.1
139.04010	4.1
140.01164	2.5
141.01942	1.5
145.03014	1.3
151.00381	10.9
151.03992	1.2
153.01917	1.9
153.05554	0.9
161.02435	0.8
161.04512	1.4
163.03969	1.1
167.03456	0.8
168.00641	4.1
169.01437	71.6
169.05083	4.1
170.01775	2.9
175.03920	0.8
177.01872	1.3
179.03459	2.7
179.05717	0.9
181.05066	1.4
189.95372	0.8
191.03491	0.8
193.01360	2.1
211.02408	2.9
239.05630	0.8
241.03371	1.9
245.00694	1.1
259.99695	0.7
271.04489	2.1
273.00238	1.1
274.00903	1.2
275.01733	2.1
281.06552	1.4
289.06976	1.0
299.07687	5.4
300.99789	1.3
313.05664	66.4
313.10999	1.8
314.05960	7.2
391.19162	2.7
403.17725	0.9
407.09839	10.1
408.09616	1.7
421.14420	1.4
437.02341	1.1
451.08002	39.8
451.22040	1.5
452.08136	6.3
452.17236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67212	0.9
55.01845	1.1
57.03450	2.8
57.88467	1.0
61.98833	100.0
78.95896	3.6
81.03451	1.7
85.02937	1.5
85.06586	2.4
87.70360	0.9
97.02921	1.0
97.06606	1.4
99.08179	1.2
109.06618	5.2
110.06930	1.5
111.04515	3.5
113.02388	1.3
113.75982	1.0
125.02456	4.8
153.05588	19.1
154.05908	6.2
195.65318	1.0
302.99963	1.2
369.16962	1.2
387.21588	1.8
449.28952	8.3
450.29385	45.4
450.99329	2.3
451.30316	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	450.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88903	1.1
56.32287	0.9
57.03437	1.6
59.01384	0.9
61.98836	100.0
66.20596	0.9
69.48249	6.1
73.02901	1.1
80.21877	0.9
82.33504	1.0
88.98854	1.7
91.61866	0.9
95.05037	1.6
111.04520	1.1
125.02431	1.2
127.04034	1.3
139.04018	4.2
139.95210	1.0
153.05655	2.5
166.02684	1.6
235.09789	1.0
275.12949	1.6
317.17471	1.1
331.88892	1.0
387.21802	27.5
388.22006	3.6
449.27832	1.2
449.33331	1.9
450.06949	1.3
450.28613	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	450.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.31862	1.0
70.63284	0.9
72.36239	1.0
81.03459	4.0
84.72610	0.9
93.97066	1.1
98.20587	2.4
150.30222	1.0
157.72523	1.0
178.93114	1.0
343.26456	6.6
387.25388	30.1
388.25659	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	450.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64991	2.5
58.74953	2.2
60.71848	2.4
61.98834	100.0
67.40630	2.2
69.29498	5.3
69.29893	24.5
76.03854	2.6
85.02956	4.3
88.98772	2.8
202.55795	2.4
246.00142	2.5
339.36426	2.6
349.73175	2.6
387.25232	10.2
450.29352	7.4
451.30057	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	450.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00781	1.6
61.98837	100.0
69.69037	5.7
69.69446	2.8
85.02970	8.7
86.59116	1.5
87.00894	1.8
96.36152	1.7
100.32133	1.8
142.87959	1.8
159.08447	4.8
167.03433	1.9
219.63977	1.6
390.26385	3.3
414.35645	1.7
450.28787	2.4
451.30600	6.3
451.74927	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	450.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10479	0.3
59.01369	1.5
61.22528	0.3
61.98832	4.5
62.67893	0.4
64.14869	0.3
69.50236	2.4
71.01411	0.4
89.02425	0.6
95.36611	0.3
96.96007	0.8
97.02967	0.5
100.65369	0.4
117.05634	0.4
125.02454	0.6
138.01962	0.5
167.04996	0.5
183.04507	0.4
192.05408	0.4
195.04501	1.6
197.06181	0.4
207.04494	0.8
210.03279	0.3
211.04031	0.9
223.03999	1.6
227.03468	0.5
235.03882	1.0
239.03566	1.4
249.01849	0.4
250.02763	0.5
251.03354	1.8
253.09985	0.4
255.02979	0.4
263.03448	1.0
265.01608	0.5
266.02271	0.4
267.03021	2.6
277.01425	0.8
279.02887	1.7
283.02707	0.7
293.00943	0.7
294.01849	0.5
295.02512	3.2
305.01044	0.8
307.02484	1.0
310.00842	0.4
311.02054	2.4
321.00458	1.5
322.01166	1.1
323.01981	5.0
324.99976	0.7
333.00369	0.7
334.01355	0.6
335.02029	3.8
336.02176	0.4
336.99954	0.7
338.00684	3.4
339.01352	5.6
348.99789	1.4
350.00635	1.0
351.01459	5.9
352.99457	0.5
361.00104	0.7
363.01395	1.7
366.00064	1.4
367.00980	7.9
368.01352	0.6
376.99359	2.1
377.99881	0.8
379.00974	5.3
388.99646	0.5
395.00494	6.7
396.00787	0.9
404.98752	2.9
405.99234	0.6
407.00461	2.4
423.00064	3.6
424.00320	0.6
431.03433	0.3
432.98349	7.9
433.98700	1.5
450.99454	100.0
451.99756	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	450.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92950	0.6
61.63306	0.5
61.98835	100.0
65.02145	0.4
71.05029	3.7
71.61782	0.6
78.95905	0.8
95.05046	2.1
95.24805	0.4
97.02957	0.9
124.17613	0.5
125.02467	0.7
139.04028	4.5
160.39043	0.5
167.07158	1.5
312.45444	0.5
343.22934	1.3
387.21774	25.5
388.22156	3.8
400.90070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66994	0.7
59.01382	1.1
61.98838	100.0
69.48364	5.0
77.23341	0.7
78.42204	0.8
85.06635	0.8
91.02273	0.8
91.48409	0.7
92.95258	0.7
109.06622	2.4
111.04549	1.0
139.04094	0.8
141.12965	0.9
153.05597	11.0
158.30605	0.8
163.61284	0.7
173.03285	0.8
384.60779	0.9
387.22073	0.7
399.11334	0.8
450.28781	1.1
451.24530	1.6
451.30634	23.0
454.70157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
60.72694	1.1
61.98833	19.9
71.01381	4.4
71.14950	2.6
73.02934	2.0
83.01384	1.7
85.02951	2.5
96.96063	1.6
101.02415	3.5
102.94490	1.1
111.00916	2.5
117.05597	1.9
123.00893	14.7
125.02448	12.3
139.00374	3.8
140.01129	2.8
141.01947	1.8
151.00386	8.6
168.00677	3.6
169.01398	12.5
186.87093	1.3
193.04517	1.1
200.28554	1.1
202.51363	1.1
216.15028	1.3
272.02768	1.5
313.05612	1.6
317.02438	2.9
319.21240	3.5
387.12985	100.0
388.13290	9.2
450.07010	2.2
451.12808	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	450.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
61.98830	47.2
67.26828	2.2
69.25110	17.4
69.25529	7.4
71.01376	8.3
73.02925	3.5
75.32593	2.2
76.56197	2.2
79.87255	2.1
82.45143	2.4
85.02949	3.1
89.02435	5.1
101.02445	7.4
107.01391	3.7
107.05019	2.6
113.02454	4.0
119.05087	3.0
123.00888	17.0
125.02452	17.3
139.00369	5.7
140.01169	3.7
151.00426	11.9
153.01927	2.9
161.02399	3.0
162.02765	3.6
168.00648	5.3
169.01434	21.0
191.19110	2.4
202.07773	2.6
272.02719	2.6
300.99402	2.7
301.99838	4.1
302.99945	4.4
317.02469	6.4
319.21228	4.5
370.12305	4.7
387.13000	100.0
388.13202	12.4
390.16379	2.5
390.21851	4.6
450.06857	9.6
451.12451	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50531	0.9
58.00606	0.9
59.01381	17.5
61.98831	100.0
71.01385	6.7
73.02940	1.3
83.01410	1.1
85.02927	2.4
89.02456	6.8
93.03474	1.6
95.01390	1.8
96.96001	1.1
99.00885	0.9
101.02454	3.5
107.01414	2.5
109.02980	1.3
111.00864	2.1
113.02467	3.2
114.02762	1.1
117.05566	1.0
119.03496	2.0
119.05085	0.8
120.99658	1.2
123.00889	4.1
125.02453	19.1
134.28027	0.9
135.04538	3.6
136.04019	3.3
136.04913	1.4
137.02451	18.3
139.00374	3.0
149.02460	1.7
151.00349	2.8
151.03935	1.1
153.01987	1.1
161.67743	0.8
163.11334	1.5
169.01421	15.4
179.03412	1.4
193.01462	2.0
207.10246	2.4
242.06837	1.0
259.06125	1.3
260.06363	1.5
270.04819	1.7
275.01843	2.2
287.02054	1.0
288.02313	1.1
288.06079	1.4
299.07669	1.1
300.15509	0.9
300.99918	2.7
313.05646	7.0
325.05719	1.3
387.16632	39.4
388.17328	4.3
415.12506	1.4
450.11105	10.3
450.20953	1.5
450.99231	2.4
451.08939	7.5
451.13004	2.9
451.17941	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	450.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42639	2.3
57.03446	7.4
59.01390	6.9
61.46505	2.3
61.98835	100.0
66.57696	2.1
69.03457	2.7
71.01397	2.5
71.05037	3.6
72.20782	2.3
81.03461	7.7
84.06210	2.2
85.02962	9.3
95.01399	6.6
95.05009	2.9
109.06572	3.0
123.00966	2.4
123.04519	9.2
124.01664	7.9
124.05304	6.9
125.02467	46.2
126.02838	4.6
127.04006	2.9
139.04002	12.7
148.80365	2.4
151.00362	5.2
152.01128	11.8
153.05582	6.7
166.02698	4.0
174.75928	2.5
179.03506	9.8
207.06540	4.0
208.07434	2.8
219.13881	3.0
261.14728	2.7
262.12024	3.9
275.01755	2.8
309.45462	3.3
317.02219	2.8
320.15872	2.8
363.21829	6.9
387.18152	88.3
388.18262	18.3
389.23593	3.0
390.20093	7.0
391.21259	4.3
432.21124	6.8
433.22278	5.7
450.21500	38.7
450.98920	5.1
451.22803	23.7
458.53790	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03446	3.4
59.01367	2.4
61.98833	3.8
68.13697	0.5
69.03436	0.7
69.13314	0.6
71.01369	0.8
71.05014	2.0
72.93756	0.6
73.73782	0.6
78.95906	12.2
79.01917	2.7
80.34978	0.5
81.03459	0.7
83.05032	0.8
84.56511	0.5
85.02938	1.1
85.06587	6.3
86.15863	0.6
95.04995	1.0
96.02834	0.5
97.02953	2.1
97.06571	2.0
98.20642	1.6
99.04533	1.7
99.08146	4.2
107.05058	0.9
109.02927	1.0
109.06601	9.6
111.04530	6.5
111.08156	0.7
113.09738	1.6
123.04544	0.7
123.08095	0.6
123.20419	0.5
125.02443	2.2
127.04047	3.0
135.04527	4.2
136.05360	1.0
137.06119	0.6
139.04015	1.0
139.11348	0.8
151.03996	1.8
152.04762	0.8
153.05585	40.5
154.05907	2.2
179.03510	1.4
186.38388	0.6
207.13925	1.0
219.17477	0.7
229.50488	0.7
271.02686	0.9
287.20172	0.7
301.99637	1.3
303.00491	0.6
316.02179	2.0
349.27609	0.7
357.59155	0.6
387.29132	1.6
389.26990	1.4
393.26395	0.8
405.30347	3.5
417.22629	0.6
449.07816	1.1
449.29071	100.0
450.29413	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	449.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
56.34541	2.2
57.03450	4.7
59.01369	2.9
61.81424	1.8
68.98168	2.4
70.02998	5.5
71.05024	4.9
79.01892	9.1
85.02959	77.6
87.00889	4.4
95.05046	13.3
95.36257	1.9
96.96024	3.2
97.02935	3.5
99.04525	12.9
123.04543	44.9
124.01635	2.4
125.02464	23.2
132.14122	1.8
135.04552	2.4
136.05289	5.1
138.03204	9.1
139.03954	2.4
141.01952	3.5
141.05598	10.4
151.00359	5.8
166.02719	3.0
167.03490	6.5
170.02214	3.3
179.03471	3.8
194.43942	2.1
221.08267	2.3
269.88687	2.3
275.11200	2.6
305.24872	23.5
306.25018	2.4
307.26382	2.7
317.28555	14.4
318.28458	2.2
333.24527	2.3
335.29849	5.3
344.27151	3.2
345.27957	11.6
349.27460	14.4
369.27612	2.8
371.25818	3.1
387.24442	4.3
387.29114	75.3
388.29755	12.3
389.27023	100.0
390.27325	15.2
405.29791	7.0
407.27963	3.3
421.29855	3.1
429.04468	2.2
431.28052	17.3
432.28683	7.9
449.28979	9.7
452.19217	2.0
455.59363	2.1
474.88879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3273
Annotation	Stellattasterenol
Peak:m/z	Relative Intensity
55.01872	0.8
57.03460	1.7
57.60756	0.3
58.45885	0.2
59.01393	0.3
61.98823	1.0
69.52327	1.6
71.05031	0.3
73.74139	0.2
75.08694	0.3
79.01902	1.0
80.02684	0.4
81.03474	0.4
85.02952	0.5
85.06600	1.9
87.00922	0.4
87.04518	0.6
93.03441	0.2
95.05048	0.7
96.96014	0.4
97.06602	0.4
98.20586	0.4
98.94058	0.2
99.08168	3.3
104.54008	0.3
105.07134	0.3
107.05051	0.7
111.04544	0.3
118.94632	0.2
119.79094	0.2
121.06586	1.0
123.08177	9.9
123.68079	0.3
124.08500	0.4
125.09664	0.2
135.04564	1.2
137.09729	0.3
149.06090	1.6
150.06892	0.6
151.04030	0.3
151.07635	0.3
152.04770	0.8
163.07683	1.0
167.07153	11.0
168.07458	0.6
179.03497	0.3
189.05605	0.4
193.05052	1.1
193.21669	0.3
281.24838	0.4
288.73102	0.3
320.39233	0.3
333.28009	0.4
335.29660	1.4
347.29504	0.5
361.31213	0.3
362.28174	0.9
363.32840	1.3
387.32675	2.9
389.30783	0.4
390.31335	0.5
405.28287	0.3
405.33707	6.6
406.33917	1.5
431.31796	0.8
449.32773	100.0
450.33145	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03446	2.6
59.01380	2.0
59.36662	0.5
61.16729	0.6
61.98848	2.7
71.05016	1.3
71.09032	0.7
71.09357	0.9
77.54448	0.5
79.01881	1.5
81.03466	1.3
83.01390	0.9
83.05034	1.6
85.02966	1.4
85.06602	6.6
88.98817	0.9
97.02919	1.7
97.06586	2.1
99.04518	2.2
99.08184	3.4
107.05013	1.2
109.02965	1.0
109.06596	7.9
111.04535	6.8
113.02438	0.8
113.09699	1.6
123.04511	0.7
125.02444	1.9
125.06095	0.5
127.04021	2.8
127.58539	0.5
135.04527	3.5
136.05305	0.9
139.04022	1.3
139.64415	0.5
148.05310	0.6
151.04008	1.1
152.04759	0.7
153.05583	43.9
154.05949	1.9
159.43001	0.5
167.03459	0.7
179.03455	2.0
203.54314	0.5
207.13924	1.0
217.15866	0.9
219.17348	0.5
251.16763	0.6
271.02505	1.1
301.99799	1.3
303.00327	0.9
303.24176	0.6
316.02151	1.2
317.02728	0.7
329.18094	0.6
349.27722	0.8
386.20654	0.7
387.29077	1.6
389.26801	1.8
390.27496	0.6
393.26593	1.0
405.30161	2.2
407.27914	0.9
431.27997	1.2
449.29092	100.0
450.29434	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2911
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
54.35225	0.8
57.03449	3.4
59.01381	6.2
61.98823	5.4
67.28725	0.9
69.03465	1.3
69.12412	0.9
69.93458	5.2
71.01408	1.3
71.05006	1.0
73.02939	3.4
73.93855	0.8
78.95898	1.0
79.01911	0.9
81.03445	2.1
83.01380	2.7
85.02958	100.0
86.03288	2.8
87.00882	28.5
95.04979	1.1
97.02928	1.2
99.04536	4.5
101.02436	1.9
111.00892	6.6
115.04025	5.0
123.04532	5.8
125.02451	9.0
136.36281	1.0
138.03206	2.2
139.04001	1.5
143.03487	5.8
166.02701	1.0
167.03503	13.7
167.86758	0.9
173.73997	1.0
185.04378	2.6
233.38449	0.9
243.47650	1.1
281.24826	4.9
281.96985	1.0
305.24942	7.8
306.25146	1.1
307.26382	3.5
339.73285	1.3
349.27481	43.2
350.27777	6.1
387.28613	1.2
389.26978	25.8
390.27234	5.7
395.06451	1.1
431.27939	4.4
449.29019	66.3
450.29453	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	449.291
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
54.85585	0.4
55.01870	1.2
57.03453	2.7
57.05217	0.4
58.76923	0.4
59.01385	2.0
59.61298	0.4
61.98828	1.5
65.32460	0.4
68.46597	0.4
69.03487	0.6
71.05021	1.4
71.59834	0.6
78.95916	7.6
79.01902	1.4
81.03450	0.6
82.29758	0.4
83.05012	1.6
85.02959	1.6
85.06606	5.0
89.77553	0.4
95.05051	1.0
97.02956	1.9
97.06588	1.3
99.04533	2.6
99.08172	3.6
107.05058	0.7
109.02949	1.4
109.06593	7.8
110.06919	0.5
111.04525	6.5
111.08142	0.6
112.04812	0.4
113.09753	0.8
122.03761	0.4
123.04550	0.8
123.08149	0.9
125.02467	1.4
127.04032	2.8
135.04509	2.6
135.08167	0.6
136.05299	0.7
136.37309	0.4
137.02446	0.6
137.09741	0.4
139.04018	1.2
142.83911	0.4
151.04025	1.3
151.07683	0.7
151.11295	0.6
152.04814	0.5
152.99594	1.2
153.05591	34.4
154.05936	2.4
167.03529	1.3
169.12363	0.5
171.10287	0.5
179.03543	2.1
180.04257	0.4
189.47160	0.4
207.14003	0.6
221.15596	0.5
247.16937	0.6
263.16357	0.7
271.02563	0.8
295.23041	0.4
300.99908	0.6
301.99966	0.6
316.02310	1.5
352.63629	0.5
387.25043	1.0
387.29129	1.3
388.25668	0.5
389.26935	1.7
390.27490	0.6
393.26355	0.7
403.28558	0.8
405.25610	0.8
405.30573	2.8
406.30566	0.9
407.27768	0.7
431.28140	1.6
449.07004	1.5
449.29111	100.0
450.29434	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	449.2911
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
57.03458	1.1
59.01374	1.7
66.11660	0.7
69.88810	3.1
71.05022	4.4
72.71613	0.7
77.86630	0.7
78.95897	1.3
83.01400	1.1
83.05054	2.0
85.02954	9.0
87.00881	2.2
96.78613	0.6
97.02936	0.8
97.06606	0.9
99.04527	3.6
107.05028	1.0
109.02946	5.3
111.04531	2.6
113.02459	0.9
113.09650	0.8
113.71295	0.8
123.04533	4.7
125.02392	1.3
125.06093	2.2
127.04013	5.1
131.62831	0.6
135.04498	1.1
136.05339	0.7
137.02490	1.5
139.69151	0.7
143.03442	1.0
151.04024	4.3
152.04829	1.9
153.05560	2.2
164.04808	1.3
167.03471	1.2
177.02040	1.0
177.05508	1.1
178.02748	2.2
180.55988	0.8
182.02138	1.1
191.03537	0.9
207.13806	1.3
219.17671	0.7
247.16954	0.8
273.18649	0.9
275.16547	1.4
289.18054	1.2
305.24393	0.6
317.17773	3.4
349.27417	2.2
356.50363	0.8
389.26923	7.4
390.27408	1.8
393.26416	4.6
403.28711	4.7
405.30029	1.4
407.28067	1.4
431.27994	25.3
432.28452	4.5
434.26660	1.9
449.29071	100.0
450.29443	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.3
59.01383	100.0
60.01707	1.1
60.95304	1.1
61.98828	5.9
65.46429	1.0
69.33532	7.9
69.33939	1.9
71.01390	22.6
72.99283	1.0
73.02950	1.2
83.01417	1.4
85.02946	6.1
87.00856	2.2
89.02453	34.7
89.10773	1.2
95.01384	1.0
96.96014	2.1
97.02866	1.1
98.19860	2.5
101.02448	14.3
111.08221	1.2
113.02451	13.2
119.03506	16.1
125.02438	2.2
131.03508	1.5
143.03484	4.0
145.02985	2.2
149.04543	1.4
153.09224	5.3
161.04596	5.3
179.05644	12.8
203.03624	1.2
204.23854	1.0
209.15497	3.9
227.16577	1.2
255.45627	1.0
296.97919	1.1
301.99597	1.7
316.02139	3.6
348.13364	1.1
389.21829	27.6
390.22073	3.9
449.06891	2.2
449.13284	1.6
449.21262	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	449.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.8
62.80389	2.9
64.42585	3.0
78.36242	2.7
80.96535	3.3
85.02954	13.4
94.90266	2.8
96.96009	5.0
132.17192	3.1
137.31844	3.1
138.03255	6.8
141.01933	3.3
153.05562	5.2
163.07359	2.7
165.01981	4.3
166.02672	10.4
179.03572	5.8
180.04318	5.0
193.05087	6.7
307.26300	4.4
389.27090	4.7
407.27173	10.8
413.26953	100.0
414.27203	19.4
416.72717	3.9
449.28040	40.7
450.29160	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	449.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70100	0.6
50.87902	0.5
57.03442	2.5
59.01363	2.6
61.98833	17.5
69.03469	0.6
71.05000	0.9
71.60742	0.8
73.02916	0.6
78.95914	9.7
79.01892	1.9
83.05013	0.8
85.02955	1.5
85.06599	7.5
97.02963	1.2
97.06581	1.6
99.08154	5.5
101.74642	0.5
107.05038	1.2
109.06583	10.9
111.04523	7.3
113.09739	0.9
123.04536	1.0
125.02438	1.3
125.06062	0.6
127.07630	0.8
127.14462	0.7
129.09236	3.9
135.04521	1.9
136.05304	0.6
138.03261	0.7
139.04005	1.2
139.11259	0.6
146.11172	0.7
149.06082	0.8
151.00346	1.1
151.04034	1.1
153.05585	49.2
154.05951	2.7
157.28320	0.5
158.22034	0.6
159.03406	0.6
167.07027	0.7
179.03461	1.7
180.04231	0.8
207.13722	0.8
219.17572	1.4
251.02126	0.7
254.57153	0.7
275.20074	2.0
300.99506	0.7
301.72845	0.6
301.99646	1.6
316.02103	2.9
319.19174	1.8
387.29025	1.0
405.29984	2.0
431.27808	0.7
449.28995	100.0
450.29376	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.291
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
53.07922	0.3
55.01882	1.1
57.03450	0.6
58.00595	1.2
59.01376	0.5
61.98826	1.4
63.50869	0.3
68.84201	0.3
69.65624	2.2
71.05035	0.7
77.04423	0.3
78.95910	2.0
79.01904	2.6
80.77133	0.3
81.03464	0.6
85.02972	0.4
85.06594	8.2
86.53928	0.3
91.05553	0.3
93.03465	0.5
97.02964	2.3
97.06588	0.7
98.20633	0.5
99.08160	9.4
100.08522	0.4
107.05039	0.9
109.06593	10.2
111.04529	6.9
111.08192	0.4
127.07661	1.5
129.09230	9.5
135.04529	1.9
136.05359	0.5
138.03285	0.6
139.04057	0.3
148.47267	0.3
149.06004	0.5
151.04042	0.7
152.04845	0.4
152.30707	0.3
153.05583	62.6
154.05930	2.8
179.03584	1.7
180.04271	1.3
191.44508	0.3
194.05835	0.4
207.13956	0.9
219.17545	3.3
233.19095	0.7
252.71111	0.3
260.17786	0.4
263.12967	0.5
275.20135	5.9
276.20563	0.7
295.22900	0.4
301.18188	0.5
316.02240	0.7
319.19144	4.0
320.19476	0.6
375.52609	0.4
449.29086	100.0
450.29425	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	449.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93995	0.4
55.01895	0.9
57.03450	2.3
57.03690	0.4
58.00595	0.5
59.01388	0.7
61.57663	0.3
61.98821	1.9
70.10023	1.6
71.01394	0.4
71.05016	0.7
73.02958	2.0
78.95905	2.1
79.01895	1.6
83.05038	0.6
85.02960	0.3
85.06596	6.8
90.33541	0.3
95.05045	0.9
97.02970	2.5
97.06596	1.4
98.20531	0.4
107.05038	0.8
109.06596	13.2
110.06954	0.5
111.04538	5.6
111.08167	0.7
121.06609	0.4
123.08189	0.6
125.02475	2.5
125.06076	0.4
125.09743	0.9
127.07683	0.5
133.37430	0.3
135.04520	1.9
135.08170	1.5
136.05313	0.3
137.09764	0.7
137.14911	0.4
149.09756	0.4
151.07613	0.5
153.05583	55.0
154.05919	2.5
179.03523	1.7
180.04381	0.4
191.14413	0.5
192.03191	0.3
219.13928	0.4
237.15012	1.0
275.16599	0.6
277.17950	0.4
293.17526	2.5
319.01767	0.4
319.15729	0.8
321.17053	0.7
337.16626	1.9
449.29074	100.0
450.29422	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
57.03443	1.5
58.00601	1.0
58.66661	0.8
59.01382	100.0
61.98831	9.4
65.00329	2.5
69.53506	5.5
71.01387	24.5
72.99290	0.9
73.02971	5.4
83.01400	3.2
85.02967	9.1
87.00887	1.6
89.02448	21.0
95.01387	2.6
97.92294	0.8
98.06116	1.0
99.00906	2.5
100.00649	0.8
100.99014	0.9
101.02447	15.4
107.01401	5.4
107.05066	4.3
110.00129	1.5
113.02450	10.2
117.05589	0.9
119.03506	8.8
119.04982	0.9
123.00906	4.7
124.01661	1.2
124.07689	5.6
125.02462	12.4
131.17871	0.8
135.04530	16.7
139.00394	2.1
139.11334	1.1
141.09264	0.9
143.03535	3.2
145.03011	2.2
149.04623	1.0
151.00375	18.3
153.01945	1.7
153.09245	2.0
155.10814	2.2
159.02998	1.9
161.04564	16.4
161.05858	1.2
165.02068	1.7
165.99141	1.4
166.99872	2.0
168.00687	2.4
169.01430	16.2
177.01945	1.1
179.05626	7.2
181.01503	1.1
209.15446	1.5
211.02483	8.9
211.26689	0.9
227.16643	2.1
228.84627	0.8
243.15070	1.4
268.77988	0.8
271.02420	1.1
271.04761	9.3
286.04901	2.4
287.02179	1.4
287.05603	11.5
287.13959	9.7
288.05978	1.0
288.14447	1.6
301.03043	1.1
301.99786	2.2
302.03305	1.2
313.05707	1.7
316.02283	4.9
329.15176	1.0
389.08655	0.9
389.21832	25.8
390.22281	3.0
449.11063	37.6
449.21463	2.3
450.11343	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	449.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13361	2.3
57.03460	15.6
58.17266	2.0
59.01369	9.6
61.98853	15.1
62.70311	2.0
63.53094	2.1
65.00311	2.3
67.26854	2.3
69.03449	9.7
70.35262	10.0
71.05029	10.9
73.02946	5.1
75.40925	2.3
77.51354	2.1
78.95912	44.0
79.01887	2.9
81.03461	11.1
83.01385	3.6
83.05061	3.0
85.02956	50.9
87.00886	4.1
91.21897	2.6
95.05045	13.7
96.96950	3.3
97.02946	9.1
97.06599	6.4
99.00879	2.5
99.04520	7.6
101.02438	2.3
109.02934	3.2
109.06589	3.2
110.28901	2.7
110.34185	2.3
110.90693	2.1
115.04026	3.0
122.03786	3.2
123.04535	38.4
124.01657	10.4
125.02461	47.6
125.06079	3.1
126.02775	4.4
127.03964	3.7
135.04552	3.0
136.05315	2.9
137.02429	3.0
138.03215	6.6
139.04030	65.5
141.01912	5.1
141.05534	5.4
151.00314	5.5
151.04028	4.0
152.01169	4.9
152.99597	58.7
153.05574	10.0
161.02460	3.0
166.02672	10.2
167.03465	9.2
179.03430	5.6
180.04240	2.7
193.05078	6.3
245.15541	3.5
261.15002	2.8
271.16937	2.6
287.16611	4.5
299.16675	2.7
301.17981	5.4
301.99594	3.2
305.17679	2.7
313.18161	5.5
315.16092	2.9
316.02228	3.4
319.15546	2.6
343.18976	6.3
349.20242	6.6
361.20276	6.3
387.21918	15.2
389.19717	48.1
390.19839	8.5
403.21503	11.9
409.32648	2.6
431.20560	22.4
432.21228	7.3
449.07413	4.9
449.25992	100.0
450.25562	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	449.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.80935	1.7
57.03448	10.2
59.01385	9.0
61.98824	5.9
62.33920	1.9
69.03427	4.5
71.05027	7.5
73.65926	1.8
78.95914	22.3
79.01904	5.3
81.03455	8.8
83.05030	4.3
83.73804	2.0
84.02168	2.9
85.02962	50.7
85.06583	2.1
86.03299	1.7
87.00854	3.7
95.01401	2.0
95.05045	13.9
97.02953	5.5
97.06595	8.8
99.04505	6.8
107.01322	1.9
108.02122	2.1
109.06589	6.8
111.00861	2.8
119.08624	1.9
121.02911	2.1
123.04539	36.5
124.01662	8.7
125.02458	48.9
125.06065	2.3
126.38023	1.9
132.50862	2.1
133.10179	2.3
135.04462	2.6
135.08163	1.8
136.05283	2.8
138.03229	5.3
139.03029	2.8
139.04034	41.4
141.05592	7.7
151.00377	6.1
151.04015	3.2
152.01120	3.1
152.99600	25.2
153.05585	12.2
165.01976	3.3
165.05542	2.9
166.02722	8.2
167.03476	7.0
167.07089	2.5
179.03537	8.2
180.04218	3.1
181.59396	1.9
193.05086	4.0
196.72884	2.0
207.06627	2.2
219.13893	3.0
220.96483	1.9
235.09709	2.0
261.11243	3.0
271.16992	2.2
283.17020	2.4
299.16425	3.2
301.18005	3.4
301.99722	2.2
315.15836	2.8
316.02158	4.6
331.18982	4.1
343.19168	4.2
349.20078	4.4
387.21887	10.9
389.19730	59.3
390.20010	7.1
403.21039	5.7
405.22684	2.9
431.20700	16.3
431.63568	2.0
432.21436	5.6
448.60254	1.8
449.06586	2.7
449.25604	100.0
449.32379	4.8
450.26007	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	449.2188
Annotation	Teucrolin F
Peak:m/z	Relative Intensity
57.03452	4.8
57.41832	0.4
58.76136	0.4
59.01388	1.9
64.63623	0.4
65.00330	0.9
66.96284	0.3
69.03469	1.8
71.01394	0.5
71.05019	1.3
73.02950	0.5
81.02982	0.6
81.03467	13.0
82.03792	0.5
83.01395	3.4
83.05031	3.2
84.02164	1.1
84.47809	0.3
85.02947	0.5
85.06579	0.7
89.77963	0.4
89.91197	0.3
93.03460	1.2
95.01392	0.6
95.05042	5.2
96.96025	1.1
97.02950	1.7
97.06589	1.2
98.19811	0.7
99.04515	0.7
104.65984	0.3
107.01410	0.7
107.05004	0.5
109.06588	1.5
111.00889	0.3
111.04518	0.8
111.08121	0.4
113.06123	0.6
121.06625	0.6
122.03719	1.1
123.04530	1.0
123.08161	0.6
124.01665	0.8
125.02460	38.9
125.06083	0.6
125.09754	0.6
126.02813	1.0
135.04546	0.7
135.08138	0.5
137.02403	0.5
137.06113	0.5
139.03979	0.5
151.00417	1.9
152.01184	0.7
153.05603	4.3
165.02060	0.4
166.02722	2.6
179.03476	1.1
193.05072	0.4
197.15428	0.3
221.15381	0.7
235.09807	0.4
235.13454	0.7
245.15546	0.7
249.11307	0.6
263.16568	2.6
271.02567	0.4
279.12405	0.5
289.14886	0.5
309.13574	0.5
316.02151	0.5
335.14978	0.7
347.14908	0.4
349.16501	0.6
431.20636	1.1
449.21820	100.0
450.22189	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Trifochalcanoloside I
Peak:m/z	Relative Intensity
55.01885	0.7
57.03460	0.8
59.01384	4.7
61.98833	1.3
69.35931	2.7
69.36340	0.7
71.01379	3.2
71.05025	3.5
73.02955	1.2
78.95937	0.5
79.01905	1.7
81.03470	1.5
83.01391	2.6
83.05025	0.5
85.02959	4.4
87.00887	1.3
89.02452	1.5
90.88466	0.4
93.03461	8.9
95.01422	0.7
95.05032	9.4
95.45666	0.3
96.05391	0.4
96.95993	1.1
97.02946	3.4
99.00887	0.4
101.02436	1.7
107.05096	0.4
107.74312	0.3
109.02973	0.9
109.06637	0.5
109.32987	0.3
111.00864	0.5
113.02473	0.9
117.05606	0.3
119.05035	8.2
121.02969	1.6
122.03767	1.1
123.04510	0.5
124.01721	0.4
125.02458	2.4
125.06014	0.7
134.21214	0.3
135.04529	1.2
137.02426	0.4
137.06090	24.8
138.06450	0.9
139.04021	24.7
140.04329	1.0
149.06113	1.0
151.00345	0.8
151.04028	0.5
153.05592	1.0
161.04573	0.9
163.03999	2.6
163.17912	0.4
165.01917	2.7
165.05562	0.8
166.02733	0.6
167.03615	0.5
169.01414	0.4
177.01819	0.4
177.05679	0.4
179.03488	0.7
181.05072	69.5
182.05402	4.2
189.05562	0.6
193.05067	8.2
205.04991	1.3
211.13283	0.4
211.17526	0.3
212.13759	0.4
238.97627	0.3
243.10051	0.5
247.06239	0.4
269.21298	0.6
271.02463	1.4
287.09256	100.0
287.22159	4.3
288.09589	10.9
299.99048	0.6
300.99652	1.2
301.99680	1.3
311.09119	1.0
316.02274	2.8
317.02582	0.6
317.19705	0.7
329.10416	0.5
349.20187	1.3
389.19504	0.6
389.77951	0.4
431.26114	0.5
449.06638	2.1
449.14133	1.8
449.21823	4.3
449.27579	11.4
450.22162	0.9
450.28098	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	449.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98156	0.5
53.15816	0.5
55.01886	0.8
57.03469	0.9
59.01386	9.5
60.01693	0.6
61.98829	1.0
67.01895	1.9
67.02254	0.6
71.01389	6.8
71.60590	0.7
72.99306	1.2
73.02947	1.1
73.95351	0.6
79.01877	0.7
80.22722	0.6
83.01390	2.6
85.02958	2.5
87.00880	0.7
88.98820	1.7
89.02461	5.4
95.01395	5.2
97.02935	0.8
99.00895	1.1
101.02459	4.3
107.01402	6.4
111.00908	3.9
113.02452	3.9
117.83337	0.5
119.03507	1.8
123.00894	16.1
125.02457	24.7
126.02776	1.4
135.06679	1.4
136.98756	1.0
137.02493	0.8
139.00375	4.9
139.04024	0.9
140.01208	3.3
141.01923	2.0
143.03619	0.6
145.03029	0.6
149.02478	0.7
151.00378	10.5
151.03900	1.1
153.01962	1.0
154.99884	3.1
155.86409	0.6
161.02490	1.4
163.04030	0.7
166.99879	1.3
167.03540	1.2
168.00671	4.6
169.01443	31.4
170.01799	2.2
171.01823	1.0
177.01907	1.3
178.02309	0.7
191.03624	0.7
211.02498	6.7
212.02956	0.9
217.33955	0.6
229.01428	1.1
271.04602	11.1
272.04910	1.5
273.00467	1.0
297.10968	0.8
300.99707	1.4
313.05643	2.5
372.90607	0.7
380.06213	0.6
387.09485	1.1
449.02756	2.5
449.12976	100.0
450.13412	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	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.5
57.03456	0.4
58.63015	0.5
59.01094	0.7
59.01377	7.1
59.41441	0.3
61.05298	0.4
64.80050	0.4
67.01879	1.2
71.01385	4.4
71.31100	1.1
72.99332	0.7
73.02930	0.5
79.01888	0.8
81.03437	0.4
83.01390	0.9
85.02953	2.5
85.03374	0.4
87.00862	0.4
89.02457	3.8
89.30627	0.4
95.01383	1.9
97.02918	0.5
101.02462	3.3
107.01390	4.7
111.00881	1.4
113.02458	2.1
119.03517	1.0
122.85991	0.4
123.00893	13.3
124.01656	1.4
125.02453	20.8
126.02848	0.5
132.09662	0.4
135.06633	1.8
136.98842	1.1
139.00386	4.7
139.04024	0.5
140.01160	2.4
141.01912	1.9
151.00377	9.5
152.00706	0.5
168.00693	3.7
169.01430	29.6
170.01758	1.5
211.02487	9.5
223.02502	0.8
253.03596	0.8
271.04572	12.5
272.04840	1.0
274.98602	0.5
303.03470	0.5
313.05582	3.0
331.06628	0.9
449.13004	100.0
450.13361	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	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52280	0.4
57.03435	0.6
58.00596	0.6
59.01382	21.4
61.98839	3.0
63.02389	1.6
64.95465	0.4
65.00327	9.2
69.15797	0.4
69.38126	2.5
69.38547	1.5
71.01389	3.6
73.02951	0.4
81.03459	0.5
83.01400	5.2
85.02939	1.6
89.02443	4.9
95.01395	0.4
96.95988	1.9
98.19920	1.0
101.02450	2.3
107.01398	16.1
109.02963	1.8
113.02438	1.8
117.03410	0.5
119.03479	2.1
121.02937	0.6
123.04500	0.5
125.02451	5.9
135.04530	68.0
136.04837	3.1
137.02432	0.9
139.03987	0.8
145.03030	0.6
151.00378	100.0
152.00681	3.6
155.10747	2.3
161.02464	1.2
161.04558	0.6
165.01939	1.4
169.01447	2.6
177.02071	0.5
177.53963	0.4
178.99881	0.7
179.05618	1.7
199.09732	0.5
209.15573	0.7
225.07777	0.5
243.03099	0.6
256.03589	0.7
261.06961	0.5
269.04474	0.8
271.02515	1.5
272.03015	0.6
287.05618	79.1
288.05923	8.6
299.99335	0.6
300.02664	0.5
300.99780	0.9
301.03281	1.1
301.99896	2.1
302.03577	1.4
303.03940	0.7
313.05835	1.4
316.02191	3.0
317.03085	1.6
325.48093	0.5
359.20932	1.7
389.21967	3.3
435.03857	0.5
449.11255	16.2
449.19965	3.9
450.11667	2.0
450.21072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
54.16092	0.5
57.03424	0.5
59.01384	21.6
61.98837	3.9
62.98504	0.5
63.02387	1.2
65.00328	9.5
69.36282	4.4
71.01385	4.0
71.04967	0.5
72.37758	0.5
73.02959	1.0
83.01388	4.5
85.02959	1.6
86.77274	0.5
87.00875	0.7
88.46217	0.5
89.02447	4.6
96.95991	1.7
99.02948	0.5
101.02454	2.9
107.01400	18.6
109.02934	1.8
113.02448	2.3
117.05571	0.6
119.03519	1.9
121.03012	0.7
123.00829	0.9
123.04543	0.8
125.02455	8.0
132.09238	0.4
134.03781	0.7
135.04536	72.8
136.04861	2.6
137.02434	1.1
139.03963	0.5
145.02951	1.2
151.00388	100.0
152.00693	4.4
155.10773	2.8
159.04501	0.6
161.02478	1.2
161.04568	1.5
165.01988	1.6
169.01445	4.6
177.01973	0.8
179.05678	1.1
181.08693	0.5
199.09822	0.5
267.07220	0.6
269.04904	0.5
271.02594	2.4
273.03220	0.8
287.05615	82.4
288.05954	7.9
299.05865	0.6
300.02762	0.7
300.99850	0.9
301.03314	1.1
301.99799	2.4
302.03650	1.6
303.00635	0.7
303.04172	1.4
313.05563	2.5
316.02145	4.8
317.03091	1.2
359.20941	2.7
389.21655	2.9
449.11252	16.4
449.20102	3.9
450.11401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
54.85266	0.6
57.03454	0.5
59.01391	5.6
61.98841	1.5
63.02402	1.1
65.00323	8.5
69.36864	3.5
69.37286	1.7
71.01385	2.2
73.02967	0.6
83.01382	4.7
89.02478	1.2
93.03450	1.2
95.01377	0.6
96.96023	0.9
97.02978	0.7
101.02418	1.0
103.12000	0.6
107.01399	18.2
107.04993	0.5
108.01721	0.7
109.02975	3.2
121.02951	0.6
123.00878	0.7
125.02468	4.2
131.01385	2.2
134.03790	1.5
135.04533	77.3
136.04898	3.9
137.02464	1.9
149.56061	0.6
151.00378	97.2
152.00725	4.1
161.02429	1.0
161.04472	0.7
164.01268	0.6
165.01988	1.2
167.03445	1.0
168.00713	0.7
169.01424	1.1
175.00340	7.1
178.99875	0.7
193.01396	1.8
227.12857	1.2
227.55753	0.6
269.04590	1.2
271.02420	2.6
287.05615	100.0
287.14575	2.6
288.02682	0.8
288.05917	8.4
293.08673	0.9
299.99088	0.8
300.99588	1.7
301.99722	3.2
303.00528	0.6
313.05551	1.1
316.02231	7.7
317.02667	1.6
389.21936	0.8
405.37234	0.7
424.43408	0.6
449.06122	4.8
449.20255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
55.01891	0.3
59.01383	5.2
61.98833	5.1
68.99837	0.3
69.03437	0.4
69.37653	2.3
71.01392	3.3
72.99291	0.4
73.02943	0.5
79.01915	0.4
83.01395	0.5
85.02962	1.1
87.13537	0.3
89.02450	1.6
93.03512	0.3
95.01410	0.9
96.96021	0.3
97.02950	0.7
99.04528	0.3
101.02441	1.7
107.01395	5.9
107.05036	0.7
110.00086	0.3
111.00901	0.7
113.02433	1.3
117.05573	0.6
119.03496	0.7
120.99666	0.4
123.00890	4.7
124.01680	0.7
125.02453	27.5
126.02779	1.2
134.03749	1.6
135.04532	100.0
136.04855	4.7
137.02460	0.5
139.00400	2.1
140.01198	1.3
141.01959	0.8
147.04459	0.3
149.02481	0.4
149.06068	0.4
151.00386	4.1
161.04626	0.6
165.05617	0.6
167.03458	0.4
168.00665	1.8
169.01431	34.9
170.01692	1.5
177.01915	0.4
178.99846	0.4
211.02521	0.5
223.02371	0.3
243.03194	0.3
245.01251	0.3
253.03441	0.5
286.98682	0.4
287.01962	0.8
297.09741	4.8
298.10159	0.6
313.05658	26.6
314.06024	2.1
316.02197	0.5
387.12643	0.3
387.16907	0.6
401.15845	0.5
430.03574	0.3
449.10925	53.6
450.11258	8.1
450.17239	0.5
452.43481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
59.01383	5.2
61.98833	5.1
68.99837	0.3
69.03437	0.4
69.37653	2.3
71.01392	3.3
72.99291	0.4
73.02943	0.5
79.01915	0.4
83.01395	0.5
85.02962	1.1
87.13537	0.3
89.02450	1.6
93.03512	0.3
95.01410	0.9
96.96021	0.3
97.02950	0.7
99.04528	0.3
101.02441	1.7
107.01395	5.9
107.05036	0.7
110.00086	0.3
111.00901	0.7
113.02433	1.3
117.05573	0.6
119.03496	0.7
120.99666	0.4
123.00890	4.7
124.01680	0.7
125.02453	27.5
126.02779	1.2
134.03749	1.6
135.04532	100.0
136.04855	4.7
137.02460	0.5
139.00400	2.1
140.01198	1.3
141.01959	0.8
147.04459	0.3
149.02481	0.4
149.06068	0.4
151.00386	4.1
161.04626	0.6
165.05617	0.6
167.03458	0.4
168.00665	1.8
169.01431	34.9
170.01692	1.5
177.01915	0.4
178.99846	0.4
211.02521	0.5
223.02371	0.3
243.03194	0.3
245.01251	0.3
253.03441	0.5
286.98682	0.4
287.01962	0.8
297.09741	4.8
298.10159	0.6
313.05658	26.6
314.06024	2.1
316.02197	0.5
387.12643	0.3
387.16907	0.6
401.15845	0.5
430.03574	0.3
449.10925	53.6
450.11258	8.1
450.17239	0.5
452.43481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.2
61.98837	4.3
68.91255	0.5
69.34109	2.6
69.34528	2.7
71.01349	1.0
71.70255	0.5
83.01404	1.0
93.03437	0.6
101.02423	1.1
107.01363	1.1
123.00897	1.1
124.01641	2.3
125.02374	1.0
135.00792	1.1
137.02444	3.2
151.00395	7.9
152.01134	1.0
161.02417	1.4
163.00359	1.6
164.01125	2.1
169.01422	1.7
178.99852	6.6
203.03458	1.8
214.02745	6.5
215.03410	1.5
227.03508	1.1
242.02223	5.9
243.02855	4.5
243.99971	0.9
244.03671	1.1
259.02438	7.3
260.02777	1.1
270.01743	6.1
271.02475	41.5
272.02878	3.5
281.06427	0.8
287.01984	24.2
287.05276	1.2
288.02475	3.4
294.87329	0.8
299.99146	15.8
300.99515	19.6
301.99689	39.8
303.00275	10.2
316.02234	100.0
317.02872	23.0
318.03357	1.2
369.11929	0.9
387.12936	11.0
389.21707	0.7
405.11877	1.0
418.42593	0.7
441.86850	0.6
449.06921	93.8
450.07419	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	449.094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26042	1.1
57.03419	1.1
59.01379	11.6
60.99305	13.1
61.98820	1.8
65.14930	1.2
67.01882	1.8
69.03430	1.3
70.91672	2.7
71.01385	5.6
74.99085	1.2
75.00867	3.6
85.02971	2.9
88.46188	1.4
88.98812	100.0
89.02444	3.8
95.01376	2.1
96.96009	2.7
97.02928	1.6
101.02419	4.8
109.03041	1.4
110.11279	1.4
111.00883	2.8
113.02454	2.9
115.00318	1.9
117.05554	2.3
123.00894	10.9
125.02468	14.1
135.04514	3.6
139.00313	4.0
140.01161	3.0
151.00435	6.8
167.81818	1.3
168.00627	4.8
169.01459	15.2
175.02521	2.6
177.01932	2.8
237.06047	5.3
245.04211	1.4
257.00766	1.4
271.04749	1.8
273.00439	2.3
293.12064	1.5
300.99991	1.8
313.05750	2.6
359.09851	60.9
360.10178	5.3
449.03522	10.0
449.11285	5.7
449.16638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98839	0.4
65.00342	0.8
69.37153	1.9
69.37570	1.2
87.10530	0.3
89.02421	0.7
89.78188	0.4
99.40702	0.3
107.01395	1.6
109.02963	0.5
116.04194	0.3
124.01653	2.3
125.02361	0.4
132.92265	0.3
135.00887	0.4
136.01657	0.5
136.16457	0.3
137.02473	1.7
151.00380	4.3
152.01143	1.3
156.16464	0.3
160.90941	0.4
163.00381	1.5
164.01176	1.6
178.99887	3.9
183.10286	1.6
186.61385	0.4
187.04051	0.5
192.00650	0.6
199.03917	0.4
204.04208	0.6
214.02731	6.3
215.03300	0.6
219.02966	0.4
227.03549	0.8
232.03778	1.0
242.02225	5.5
243.02969	3.9
244.03638	0.4
259.02426	5.8
260.02933	0.8
269.04657	0.4
270.01700	7.0
271.02481	39.8
272.02875	3.0
287.01984	20.5
288.02475	3.2
299.02411	0.4
300.99670	0.7
301.99829	1.3
303.33112	0.3
315.01398	0.4
316.02243	100.0
317.02774	15.6
318.03128	0.5
351.13235	0.3
431.34940	0.4
449.07245	61.3
450.07651	8.0
457.68427	0.4
463.08011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.3
60.01693	2.1
61.01793	1.4
61.98833	33.3
63.80862	1.0
64.39674	0.9
65.00300	2.6
67.01870	1.8
69.46807	7.9
71.01390	6.0
71.05001	1.4
73.02908	1.7
73.27732	1.0
83.01322	1.6
85.02895	3.0
89.02406	4.1
93.03436	3.1
95.01321	4.0
96.95998	2.0
96.99229	1.1
99.68935	1.2
101.02391	3.7
107.01318	4.8
108.02164	1.1
109.02879	3.5
110.00109	16.2
111.00890	9.3
113.02413	2.6
117.05608	5.4
121.02856	2.4
123.00881	7.4
124.01674	1.4
124.98772	1.9
125.02454	17.3
125.99594	1.2
135.04538	20.4
136.98724	3.3
137.02359	2.1
137.99614	7.0
139.00374	29.9
139.03955	1.7
145.02844	1.3
149.02371	2.3
151.00374	7.1
151.03889	1.4
154.79482	1.1
161.02356	2.6
161.04433	1.7
163.00301	1.3
164.95897	1.2
165.97827	1.5
165.99052	18.7
166.99873	15.0
168.00587	1.7
169.01440	25.2
170.01669	1.5
171.04430	2.3
173.06013	1.2
175.03908	1.3
178.99846	10.4
185.02304	1.5
187.03885	1.5
189.01804	2.2
193.04970	1.5
193.98456	1.6
194.99362	5.4
198.03125	2.3
199.03792	5.0
200.19205	1.1
201.01804	2.8
206.99161	4.2
207.99960	2.8
214.02533	1.4
215.03252	2.2
217.01324	1.9
226.02679	1.9
227.03436	6.3
231.02861	3.0
242.02219	5.3
243.02933	8.9
244.03453	2.6
245.04378	2.0
255.02750	1.9
259.02219	4.6
270.01645	10.8
271.02451	38.9
272.02625	4.0
273.00269	2.4
287.01974	41.9
288.02518	5.6
298.98459	1.6
299.01682	4.1
299.98901	1.4
300.02023	1.3
300.99527	2.1
301.99719	1.9
313.02325	1.2
313.05597	16.9
316.02231	92.6
317.02988	100.0
318.03339	9.6
449.06696	71.0
449.20605	2.6
450.06876	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	449.0726
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
54.83737	0.5
59.01372	1.3
61.98518	1.0
61.98836	16.7
65.00329	0.7
69.62733	2.1
69.63142	1.3
71.01384	0.7
73.02987	0.6
91.68092	0.5
95.01400	1.2
107.01393	1.3
109.02933	0.8
110.00100	11.1
111.00937	3.4
121.02969	0.6
123.00885	2.2
125.02402	0.5
135.00894	0.7
136.98792	1.0
137.99593	4.1
139.00377	12.6
139.03967	0.7
141.99034	0.7
146.03658	0.8
148.01494	0.7
149.02531	0.7
151.00348	1.8
152.01128	0.6
164.98235	0.8
165.99089	13.3
166.99872	5.8
169.75151	0.5
171.04544	1.9
173.02409	0.9
174.03238	1.2
175.03941	0.9
178.99890	9.8
180.00504	0.7
183.04333	0.6
186.03134	0.8
187.03906	0.9
193.98608	0.8
194.99361	2.5
198.03229	3.2
199.03992	2.2
201.01929	1.1
206.99298	1.2
214.02696	1.3
215.03438	2.1
216.04332	1.0
226.02716	1.2
227.03535	4.3
231.02968	1.0
232.03719	0.8
242.02205	5.8
243.02992	8.5
244.03717	2.5
245.04546	0.8
255.03029	1.2
259.02527	3.7
259.05975	0.9
260.03128	0.9
269.04413	1.1
270.01691	13.3
271.02487	47.7
272.02878	4.8
287.01990	49.4
288.02393	7.8
294.89301	0.5
299.01837	1.4
316.02240	95.6
317.02866	24.8
318.03299	1.5
431.06049	0.6
449.07263	100.0
450.07596	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	449.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73000	1.2
59.01374	3.6
65.00329	3.4
69.48975	6.5
71.01385	2.3
75.00867	0.9
78.95911	1.5
87.00880	2.3
89.02437	1.0
95.01380	1.5
96.96031	1.5
96.96947	1.3
99.00900	1.9
99.92553	1.4
103.01900	1.0
105.03501	0.9
108.02174	1.4
109.02999	0.9
111.00916	0.9
113.02450	1.7
116.92873	18.6
117.03465	1.5
119.03475	0.8
123.00879	2.8
125.02480	4.6
125.45450	0.9
131.01390	5.9
132.02197	1.0
133.03004	2.0
135.02969	2.1
137.02452	1.5
145.02975	3.0
147.00900	3.9
147.04550	1.6
148.01671	1.1
149.02483	1.6
150.03255	2.6
151.00311	1.1
159.00900	5.1
160.01666	2.2
161.02467	7.4
163.00410	5.6
163.04018	7.0
164.01060	1.0
165.01953	1.4
165.05582	7.4
169.01443	4.7
171.04454	1.4
173.02426	3.7
174.03139	0.9
175.00340	2.9
176.01155	2.0
177.01923	10.2
185.02522	1.2
187.00363	19.9
187.04059	2.3
188.01076	3.0
189.01941	7.0
190.02623	1.0
190.99849	4.6
191.03427	2.5
192.00575	1.8
199.04015	1.7
200.01244	1.0
201.01956	4.3
201.05652	1.1
202.99852	5.9
203.03568	1.7
205.01465	2.0
211.04092	1.5
213.01912	1.4
213.99078	8.3
214.99860	18.9
215.03355	1.8
216.00581	5.5
217.01448	12.3
218.99356	1.5
227.03508	2.6
229.01462	10.8
230.02122	3.1
230.99353	11.1
231.02971	2.1
232.00104	3.9
233.00896	1.9
242.99397	6.1
243.02983	4.0
245.00932	4.8
245.04518	1.8
246.01657	1.0
248.27454	0.8
255.02957	2.8
257.01074	2.1
258.01724	1.9
258.98755	4.8
259.02457	2.9
259.99619	4.9
260.02271	0.8
261.00317	9.4
269.00928	1.3
271.02432	3.8
273.04135	1.0
274.01328	1.8
285.97525	5.6
286.98383	7.9
287.01587	1.5
289.03488	1.6
300.99933	1.7
301.03415	1.0
302.00690	1.3
317.03043	3.3
345.02539	2.7
353.04999	1.2
377.05173	2.8
387.03510	1.2
389.01224	2.2
397.26651	0.9
405.04645	8.7
406.04959	1.4
421.04163	5.8
449.03641	100.0
449.12701	4.8
450.04022	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	448.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.3
59.01368	5.5
61.98830	100.0
64.41735	1.8
65.00325	5.4
69.69112	8.8
69.69538	3.9
78.91892	3.6
81.03438	3.0
83.01373	4.8
83.81135	1.9
85.02945	22.8
86.03298	4.8
87.00874	7.4
88.98804	6.4
99.04503	3.1
109.02957	1.8
111.04536	2.1
123.04539	3.8
125.02448	49.7
144.67941	1.8
153.05600	2.6
155.11707	1.8
167.03481	2.8
225.00827	2.3
300.99390	6.1
341.24780	3.6
347.25766	2.6
348.26154	8.6
385.23834	31.0
386.24246	3.7
388.25839	10.4
430.26752	4.9
431.27762	2.7
448.06046	3.5
448.27847	42.8
449.28687	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
65.71343	3.2
73.24803	3.2
75.33497	2.8
85.02946	23.2
87.00902	5.4
98.19835	7.4
110.24316	2.9
137.94778	3.3
167.03412	3.6
187.36298	3.4
349.27554	8.3
355.34991	3.1
360.83832	2.9
385.23715	9.8
389.27036	7.0
449.28900	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	448.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
80.98109	1.7
81.03489	3.0
85.02948	1.4
89.48492	1.5
89.62407	1.4
103.31092	1.6
125.02457	2.4
341.24948	6.3
385.23868	34.9
386.24173	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	448.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76521	1.7
61.98837	100.0
69.67613	10.2
72.13026	1.6
80.52206	1.4
80.95836	1.3
83.80126	1.4
85.02953	5.9
92.67188	1.6
95.89321	2.0
123.04612	2.2
137.90216	1.5
163.01756	1.9
165.05507	2.7
166.34496	1.8
172.51570	1.5
226.73309	1.6
316.27612	1.5
318.74979	1.7
386.26666	3.5
388.24734	4.6
448.27628	4.4
449.29019	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17824	0.6
59.01384	2.6
61.98834	100.0
68.95426	0.5
71.01398	0.8
78.12089	0.6
83.96212	0.6
87.87360	0.6
90.62688	0.5
110.00128	2.3
110.99702	0.6
111.00892	1.0
116.38913	0.6
125.02491	1.0
137.99608	1.0
139.00409	3.1
151.00317	0.9
165.99104	2.8
166.99907	1.4
174.03381	0.6
177.32199	0.6
178.99907	2.6
194.99380	0.8
227.03618	1.2
242.02299	2.0
243.03001	2.8
244.03714	0.9
255.02910	0.8
259.02362	1.5
259.06189	1.1
270.01819	3.9
271.02472	12.2
287.02020	13.4
287.05280	1.3
288.02765	1.9
314.01120	0.9
315.01416	3.6
316.02222	28.6
317.03079	5.3
369.50687	0.6
448.05908	0.9
449.07227	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.4
58.57322	2.9
59.01379	14.8
61.98839	43.5
64.36244	2.8
71.05032	5.8
78.95925	15.5
83.01371	6.1
85.02958	88.5
86.03310	18.2
87.00880	33.3
88.01189	4.4
95.05026	3.2
99.04553	5.3
103.70009	3.4
109.12228	3.1
111.00890	10.9
123.04523	5.1
125.02454	56.9
126.02808	16.8
139.04031	25.4
143.03534	4.0
149.06061	13.8
153.05551	5.9
154.05849	3.7
167.03481	11.2
254.13489	3.6
299.99109	9.5
300.99472	26.6
302.00162	9.3
304.23578	4.9
316.01999	6.0
347.22055	4.3
347.25900	8.7
348.26282	46.4
387.25461	4.9
388.25751	32.8
405.25375	3.8
430.26434	9.3
447.27121	9.3
447.34598	3.4
448.06158	15.1
448.18613	4.0
448.27853	100.0
448.34195	4.4
449.27917	19.4
449.33746	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	448.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96996	2.0
58.65742	1.9
61.98836	100.0
68.61443	2.3
81.03456	2.7
85.41396	2.2
109.22098	2.0
125.02438	3.0
125.13956	2.2
128.83383	1.9
135.55969	2.0
196.87560	2.1
213.69402	2.0
229.54102	2.1
243.40886	2.1
244.44708	2.1
273.92868	2.1
294.03760	2.5
341.24829	7.8
384.02573	2.0
385.23843	32.3
386.24405	4.0
438.36261	2.7
449.28995	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	448.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16930	0.6
57.03466	1.3
59.01384	14.4
61.98837	100.0
62.29766	0.6
65.00331	1.5
69.44454	4.5
71.01386	5.1
73.02973	1.4
75.00890	0.8
79.01888	1.0
80.89226	0.5
81.03496	1.7
83.01405	2.4
85.02939	3.1
87.00889	1.1
89.02449	4.7
93.03470	7.7
96.96027	5.1
97.02966	1.1
99.04529	0.8
99.92584	0.9
101.02467	3.9
101.06105	0.7
106.06009	0.6
107.01426	2.6
109.02977	1.4
110.00137	0.6
110.03337	0.6
111.00880	1.0
113.02475	2.4
115.07593	0.6
115.92110	0.7
117.05613	2.9
119.03456	1.1
119.05020	2.8
120.05382	1.7
121.02994	2.6
123.04537	8.2
125.02460	7.8
135.04544	1.4
137.02457	17.4
145.01564	0.6
145.02974	1.8
148.01750	0.9
149.02495	1.2
151.00363	7.5
151.13603	0.6
152.00757	2.5
153.02017	0.9
153.09244	0.6
161.02426	0.9
161.04535	1.0
163.00414	1.7
163.03984	0.8
164.00813	0.6
165.01968	2.9
166.02419	1.6
167.03510	24.2
169.01451	4.0
178.99934	3.1
179.03397	0.7
179.10887	0.8
180.00195	0.9
191.03539	1.3
193.44078	0.6
194.69011	0.7
197.11861	1.4
200.04231	0.7
209.04587	0.6
216.00494	0.8
228.03894	1.2
235.06044	0.6
243.03043	1.5
244.00066	0.7
244.03304	1.5
245.00414	0.8
246.04832	0.8
255.02933	3.4
256.03351	3.5
271.02481	7.3
271.99954	0.6
272.02820	9.2
273.03134	1.1
281.06787	1.9
284.03140	0.8
285.04477	1.0
285.07773	3.2
286.04510	2.8
286.08112	5.9
287.02063	1.9
287.05597	1.4
287.08667	0.6
292.09662	0.6
299.99188	14.3
300.02777	5.8
300.99579	34.7
301.03375	19.3
302.00150	9.9
302.03928	21.8
303.04150	2.5
314.04251	1.4
315.04776	5.5
316.02225	6.4
316.05557	1.5
389.21869	1.0
448.06061	16.6
448.10489	8.8
448.19040	1.0
449.06696	3.9
449.12021	3.5
449.22107	2.9
449.28217	1.0
459.90262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41739	0.5
57.03452	0.6
59.01382	32.2
60.01716	1.5
61.98833	100.0
68.11510	0.5
70.36390	2.0
71.01393	5.9
71.05029	0.7
72.99327	0.9
73.02953	1.4
74.73283	0.5
75.00865	0.5
79.95744	0.8
80.88043	0.5
83.01385	1.1
85.02967	2.5
87.00896	1.2
89.02441	4.0
95.01410	0.6
96.96017	0.8
98.19901	0.5
101.02441	3.4
102.02779	0.7
103.04024	0.5
107.01401	1.0
113.02460	2.4
117.05596	2.0
119.03529	2.1
121.03005	0.7
123.00877	1.2
125.02431	4.7
131.07199	0.7
135.04523	6.7
137.02495	0.9
139.00395	1.2
145.03029	1.4
150.03287	0.8
151.00395	1.2
161.02483	1.8
161.04572	2.8
162.04877	0.7
163.04042	0.9
164.07164	0.5
165.05629	0.5
165.99164	0.5
169.01453	3.9
179.05702	0.8
189.01991	0.7
200.98566	0.6
201.02005	0.7
229.01521	0.8
245.00557	0.6
267.07254	0.9
270.01685	0.5
271.02576	1.8
271.99561	0.6
273.00327	0.8
274.00943	0.7
275.01996	1.4
286.98865	0.6
287.02127	1.7
294.12766	0.7
296.13376	0.6
299.01935	1.0
299.99161	3.7
300.99576	11.8
301.02872	0.9
302.00156	3.5
313.05774	1.7
315.01453	1.8
315.98709	1.1
316.02139	4.0
316.99545	1.0
317.03085	1.7
369.11984	1.2
385.11526	1.3
388.20770	1.2
389.21759	3.9
405.03101	0.6
413.14682	0.9
448.06067	6.4
448.14481	4.0
449.11145	2.0
449.16534	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	448.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16930	0.6
57.03466	1.3
59.01384	14.4
61.98837	100.0
62.29766	0.6
65.00331	1.5
69.44454	4.5
71.01386	5.1
73.02973	1.4
75.00890	0.8
79.01888	1.0
80.89226	0.5
81.03496	1.7
83.01405	2.4
85.02939	3.1
87.00889	1.1
89.02449	4.7
93.03470	7.7
96.96027	5.1
97.02966	1.1
99.04529	0.8
99.92584	0.9
101.02467	3.9
101.06105	0.7
106.06009	0.6
107.01426	2.6
109.02977	1.4
110.00137	0.6
110.03337	0.6
111.00880	1.0
113.02475	2.4
115.07593	0.6
115.92110	0.7
117.05613	2.9
119.03456	1.1
119.05020	2.8
120.05382	1.7
121.02994	2.6
123.04537	8.2
125.02460	7.8
135.04544	1.4
137.02457	17.4
145.01564	0.6
145.02974	1.8
148.01750	0.9
149.02495	1.2
151.00363	7.5
151.13603	0.6
152.00757	2.5
153.02017	0.9
153.09244	0.6
161.02426	0.9
161.04535	1.0
163.00414	1.7
163.03984	0.8
164.00813	0.6
165.01968	2.9
166.02419	1.6
167.03510	24.2
169.01451	4.0
178.99934	3.1
179.03397	0.7
179.10887	0.8
180.00195	0.9
191.03539	1.3
193.44078	0.6
194.69011	0.7
197.11861	1.4
200.04231	0.7
209.04587	0.6
216.00494	0.8
228.03894	1.2
235.06044	0.6
243.03043	1.5
244.00066	0.7
244.03304	1.5
245.00414	0.8
246.04832	0.8
255.02933	3.4
256.03351	3.5
271.02481	7.3
271.99954	0.6
272.02820	9.2
273.03134	1.1
281.06787	1.9
284.03140	0.8
285.04477	1.0
285.07773	3.2
286.04510	2.8
286.08112	5.9
287.02063	1.9
287.05597	1.4
287.08667	0.6
292.09662	0.6
299.99188	14.3
300.02777	5.8
300.99579	34.7
301.03375	19.3
302.00150	9.9
302.03928	21.8
303.04150	2.5
314.04251	1.4
315.04776	5.5
316.02225	6.4
316.05557	1.5
389.21869	1.0
448.06061	16.6
448.10489	8.8
448.19040	1.0
449.06696	3.9
449.12021	3.5
449.22107	2.9
449.28217	1.0
459.90262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.6
60.01711	2.3
61.62349	0.8
61.98835	9.5
69.56480	4.4
70.28797	0.9
71.01390	7.2
72.01709	1.1
73.02950	1.0
78.64011	0.8
81.47555	1.0
83.01396	1.0
85.02955	3.3
89.02463	8.4
101.02473	7.2
113.02425	4.3
119.03500	3.5
123.46539	0.9
125.02452	1.6
151.00423	1.0
153.01857	1.2
161.02448	6.4
161.04536	1.7
165.01991	1.4
172.01707	1.1
201.01466	1.4
216.00760	1.1
217.01074	1.7
225.14941	3.5
226.15407	2.0
229.01247	1.4
230.01506	1.0
243.99918	2.6
245.00612	1.9
271.02463	2.2
271.99271	1.2
281.98825	1.0
285.00409	1.2
287.01959	1.2
287.05750	1.0
298.98495	1.0
299.99109	41.0
300.99518	100.0
302.00131	32.9
303.00345	3.3
316.02319	4.8
317.02881	1.4
369.11966	2.9
369.79016	0.9
387.20242	14.4
388.20593	15.6
389.21341	2.1
448.06027	70.0
449.06546	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	448.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16930	0.6
57.03466	1.3
59.01384	14.4
61.98837	100.0
62.29766	0.6
65.00331	1.5
69.44454	4.5
71.01386	5.1
73.02973	1.4
75.00890	0.8
79.01888	1.0
80.89226	0.5
81.03496	1.7
83.01405	2.4
85.02939	3.1
87.00889	1.1
89.02449	4.7
93.03470	7.7
96.96027	5.1
97.02966	1.1
99.04529	0.8
99.92584	0.9
101.02467	3.9
101.06105	0.7
106.06009	0.6
107.01426	2.6
109.02977	1.4
110.00137	0.6
110.03337	0.6
111.00880	1.0
113.02475	2.4
115.07593	0.6
115.92110	0.7
117.05613	2.9
119.03456	1.1
119.05020	2.8
120.05382	1.7
121.02994	2.6
123.04537	8.2
125.02460	7.8
135.04544	1.4
137.02457	17.4
145.01564	0.6
145.02974	1.8
148.01750	0.9
149.02495	1.2
151.00363	7.5
151.13603	0.6
152.00757	2.5
153.02017	0.9
153.09244	0.6
161.02426	0.9
161.04535	1.0
163.00414	1.7
163.03984	0.8
164.00813	0.6
165.01968	2.9
166.02419	1.6
167.03510	24.2
169.01451	4.0
178.99934	3.1
179.03397	0.7
179.10887	0.8
180.00195	0.9
191.03539	1.3
193.44078	0.6
194.69011	0.7
197.11861	1.4
200.04231	0.7
209.04587	0.6
216.00494	0.8
228.03894	1.2
235.06044	0.6
243.03043	1.5
244.00066	0.7
244.03304	1.5
245.00414	0.8
246.04832	0.8
255.02933	3.4
256.03351	3.5
271.02481	7.3
271.99954	0.6
272.02820	9.2
273.03134	1.1
281.06787	1.9
284.03140	0.8
285.04477	1.0
285.07773	3.2
286.04510	2.8
286.08112	5.9
287.02063	1.9
287.05597	1.4
287.08667	0.6
292.09662	0.6
299.99188	14.3
300.02777	5.8
300.99579	34.7
301.03375	19.3
302.00150	9.9
302.03928	21.8
303.04150	2.5
314.04251	1.4
315.04776	5.5
316.02225	6.4
316.05557	1.5
389.21869	1.0
448.06061	16.6
448.10489	8.8
448.19040	1.0
449.06696	3.9
449.12021	3.5
449.22107	2.9
449.28217	1.0
459.90262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3121
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
57.03422	1.6
59.01379	7.5
61.98829	2.7
69.61477	5.3
69.61899	6.8
82.48238	1.6
85.02978	4.6
85.06608	2.4
95.05043	5.0
96.96024	4.8
97.06618	4.6
108.02148	1.9
111.08173	3.6
112.25382	1.5
113.06100	12.3
123.04552	2.9
124.05279	2.1
125.06094	2.2
126.47005	1.9
127.04050	1.5
137.06087	2.9
137.70079	1.6
141.05585	21.7
165.05676	2.2
166.06316	2.7
181.05141	5.4
224.89207	1.6
281.24878	1.9
305.24817	9.0
347.25906	1.9
361.31195	1.9
377.26898	2.0
387.24872	2.3
387.29233	6.2
388.29858	5.4
389.27325	4.9
391.93732	1.7
401.30746	4.7
403.32233	8.7
404.32471	2.1
405.30331	5.3
447.31265	100.0
448.31677	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	447.2752
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
52.73006	1.0
55.01874	1.4
57.03456	4.9
59.01384	5.9
61.98838	1.1
69.03455	1.2
70.63012	1.0
71.01376	1.1
71.05028	2.1
73.02952	3.8
79.01894	1.1
81.03481	1.8
83.01380	3.1
85.02960	86.3
86.03291	1.2
87.00880	24.9
95.05062	1.4
96.40059	1.4
97.02979	1.5
99.04525	4.4
101.02422	1.8
109.02952	1.9
111.00899	6.7
111.04520	2.2
113.02466	1.4
115.03992	3.5
123.04545	5.4
124.01671	1.8
125.02460	9.8
127.04063	2.6
137.02458	1.2
138.03232	2.1
139.04025	1.5
143.03522	7.1
149.02380	1.0
151.03995	3.1
167.03537	13.1
185.04602	3.5
204.99268	1.1
215.39494	1.0
279.23227	4.0
293.98840	1.1
303.23315	4.2
305.24918	3.7
315.18997	1.1
347.25919	33.1
348.26349	3.7
359.26138	1.5
369.24203	1.7
387.25427	30.5
388.25876	4.8
391.24957	1.6
401.27057	2.7
429.26462	13.2
430.26752	2.4
447.27551	100.0
448.27963	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03455	4.6
59.01382	4.2
61.98825	3.4
65.54378	0.6
69.03487	0.8
69.66203	2.3
69.66610	1.5
71.05025	2.1
71.31847	0.6
73.02950	0.8
79.01912	2.5
80.02223	0.7
81.03467	0.9
83.05020	1.1
85.02966	6.3
85.06590	7.6
87.04532	7.7
95.05054	1.7
97.02966	2.3
99.04562	1.5
107.05003	0.8
108.02184	0.8
109.02965	1.4
109.06602	10.0
110.03792	0.9
110.07059	0.7
111.04533	8.5
113.02475	2.3
123.00890	0.7
123.04549	1.7
125.02474	1.8
127.04002	1.4
135.04532	2.3
137.02423	0.9
139.04030	2.7
141.01938	0.6
151.04060	1.2
153.05591	60.8
154.05954	3.2
155.06200	0.6
164.04677	0.7
172.01711	0.8
174.13161	0.7
178.06241	0.7
179.03563	2.9
180.04312	2.2
193.05125	1.2
193.77580	0.7
200.01210	1.1
203.14426	0.7
207.06636	0.8
207.13933	0.6
216.00677	1.6
229.01404	0.7
244.00076	1.5
259.20642	0.9
263.12946	0.8
282.98813	0.7
290.16864	0.7
298.98401	0.9
299.99152	49.1
300.99863	23.5
301.03305	1.5
302.00339	2.2
315.23499	2.4
345.20724	6.1
347.25943	0.7
359.22455	1.5
403.28827	1.1
429.26895	1.0
447.05725	27.3
447.27643	100.0
448.06210	4.0
448.28076	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	447.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03455	4.6
59.01382	4.2
61.98825	3.4
65.54378	0.6
69.03487	0.8
69.66203	2.3
69.66610	1.5
71.05025	2.1
71.31847	0.6
73.02950	0.8
79.01912	2.5
80.02223	0.7
81.03467	0.9
83.05020	1.1
85.02966	6.3
85.06590	7.6
87.04532	7.7
95.05054	1.7
97.02966	2.3
99.04562	1.5
107.05003	0.8
108.02184	0.8
109.02965	1.4
109.06602	10.0
110.03792	0.9
110.07059	0.7
111.04533	8.5
113.02475	2.3
123.00890	0.7
123.04549	1.7
125.02474	1.8
127.04002	1.4
135.04532	2.3
137.02423	0.9
139.04030	2.7
141.01938	0.6
151.04060	1.2
153.05591	60.8
154.05954	3.2
155.06200	0.6
164.04677	0.7
172.01711	0.8
174.13161	0.7
178.06241	0.7
179.03563	2.9
180.04312	2.2
193.05125	1.2
193.77580	0.7
200.01210	1.1
203.14426	0.7
207.06636	0.8
207.13933	0.6
216.00677	1.6
229.01404	0.7
244.00076	1.5
259.20642	0.9
263.12946	0.8
282.98813	0.7
290.16864	0.7
298.98401	0.9
299.99152	49.1
300.99863	23.5
301.03305	1.5
302.00339	2.2
315.23499	2.4
345.20724	6.1
347.25943	0.7
359.22455	1.5
403.28827	1.1
429.26895	1.0
447.05725	27.3
447.27643	100.0
448.06210	4.0
448.28076	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	447.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.2
59.01378	3.7
68.99819	2.4
70.76614	4.4
71.05021	6.1
79.01904	8.8
81.03473	3.5
84.59879	2.0
85.02962	67.8
87.00874	4.7
95.05021	10.2
97.02990	2.7
99.04496	9.9
108.02184	2.0
109.02966	2.3
123.00954	2.1
123.04536	38.6
124.62703	1.9
125.02470	16.4
136.05360	3.7
138.03258	7.8
141.01952	5.6
141.05588	7.4
151.00400	3.7
167.03496	6.7
196.37466	2.2
303.23318	20.4
305.24802	7.2
315.26913	3.7
333.27853	6.9
343.26425	10.2
347.25885	14.9
359.25690	2.6
373.24173	3.1
385.27527	72.7
386.28214	12.3
387.25418	100.0
388.25891	12.8
403.28827	6.9
405.26511	14.0
419.28058	3.0
429.26590	17.6
430.27063	9.4
447.27518	32.6
448.28027	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	447.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.9
57.03450	3.7
59.01391	6.4
61.98836	13.5
69.03482	1.4
71.01410	1.9
71.05045	1.4
71.60738	1.2
73.02964	2.9
74.33013	0.7
79.01909	2.2
81.03481	1.7
83.01404	3.2
85.02961	100.0
85.06609	1.6
86.03304	1.5
86.30636	0.7
87.00883	28.8
87.04521	0.7
95.05009	1.5
97.02938	1.9
99.04533	6.7
99.08143	1.9
101.02455	0.8
108.02189	0.7
111.00905	5.9
113.02424	1.6
115.04042	5.1
121.06482	1.0
123.00814	0.8
123.04518	7.0
123.08189	9.2
125.02468	6.9
135.04486	1.4
138.03157	1.9
139.03935	1.0
141.01775	0.8
143.03517	8.5
149.05974	1.3
150.06697	0.8
151.00287	1.5
152.04707	1.1
163.07512	1.6
167.03500	12.9
167.07153	8.6
179.03305	1.6
182.69389	0.6
185.04305	1.9
193.04893	0.9
279.22507	3.4
289.21130	0.8
299.98230	2.3
303.22443	6.5
305.23837	2.9
335.25122	0.7
347.24728	36.8
347.29422	5.4
347.31866	1.3
348.25058	5.4
359.25150	1.2
360.25876	1.0
375.24646	1.2
385.30103	1.2
387.23975	22.7
387.29504	3.3
387.32306	1.1
388.24368	3.0
393.51410	0.9
403.30786	2.4
405.24835	1.7
429.24753	3.3
447.25494	42.1
447.29846	18.6
447.36340	10.5
447.39621	3.2
448.25705	6.1
448.30023	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	447.2757
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
57.03443	6.6
59.01384	2.3
71.05028	5.6
71.45403	3.2
71.68480	1.8
79.01910	8.3
81.03475	4.4
85.02964	66.6
87.00882	4.2
89.80065	1.6
95.05041	11.8
97.79294	1.9
99.04534	8.0
108.02190	3.0
108.75599	2.1
122.16747	2.0
123.04542	37.4
124.01671	4.1
124.04883	1.7
125.02481	18.1
135.04550	2.6
136.05310	2.6
136.58128	1.7
138.03200	9.4
141.01944	3.5
141.05586	7.7
151.00354	8.4
166.02748	3.9
167.03476	7.7
170.02193	3.2
179.03596	2.8
279.23413	2.6
303.23288	16.5
304.23547	2.6
305.24808	4.4
315.26880	3.2
331.22778	2.5
333.28171	3.6
343.22751	2.0
343.26233	10.4
347.25912	14.7
348.26239	2.9
357.27820	3.9
369.24252	3.2
370.25357	2.3
385.27536	75.6
386.28143	12.8
387.25455	100.0
388.25629	14.7
403.28619	5.0
405.26346	8.0
424.13596	2.2
429.26422	18.4
430.27054	7.8
447.27496	15.5
448.28043	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	447.2753
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
57.03445	1.8
59.01384	1.7
66.09158	0.7
69.89085	3.1
71.05031	4.1
74.32111	0.6
83.01395	0.9
83.05037	1.0
85.02962	9.1
87.00883	1.5
95.79678	0.7
97.06657	0.8
99.04536	2.8
106.57574	0.8
107.05034	1.6
109.02966	4.3
111.04530	2.2
113.02479	1.0
118.08649	0.8
123.04550	3.1
124.56668	0.6
125.02487	1.4
125.06112	1.6
127.04016	6.5
151.04004	3.7
152.04791	1.4
153.05562	2.7
158.99683	0.7
164.04803	1.1
167.03484	2.0
169.05064	1.0
177.01942	2.0
178.02734	2.7
205.04953	1.1
227.08989	0.7
277.22159	1.0
287.20105	1.0
315.15909	0.7
315.19476	0.7
319.18951	0.9
319.23053	0.7
347.26004	3.2
357.20718	2.4
385.27557	1.3
387.25412	8.7
388.25876	2.0
391.24948	5.7
401.26923	4.4
403.28796	1.5
405.26620	1.4
429.26511	22.3
430.26938	3.8
432.25192	2.1
447.27548	100.0
448.27908	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	447.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60759	0.2
55.01881	1.3
57.03453	3.6
58.00592	0.5
58.48431	0.2
59.01376	0.9
61.98825	1.0
70.12342	1.2
71.01324	0.2
71.05028	1.0
73.02959	1.6
73.85915	0.3
79.01900	2.1
81.03457	0.3
83.05019	0.4
85.02967	1.2
85.06597	8.5
86.06947	0.3
87.04520	4.8
91.05565	0.4
93.03454	0.3
95.05029	0.4
97.02975	2.8
97.06590	1.0
98.87165	0.3
106.88377	0.3
107.05024	0.8
109.03008	0.3
109.06599	14.1
110.06925	0.4
111.04523	7.7
111.08179	0.5
112.04902	0.4
113.02522	0.3
123.04546	0.6
123.08243	0.5
125.02527	0.3
125.09733	0.5
135.04527	1.9
135.08176	0.8
136.05287	0.9
138.03276	0.4
149.06027	0.5
151.04005	0.6
152.04768	0.3
153.05585	66.2
154.05931	3.2
167.03519	0.7
179.03569	1.3
180.04309	1.1
193.05121	0.3
194.05840	0.4
207.13919	0.3
225.11455	0.3
235.13776	0.3
237.15044	0.5
259.20740	0.7
263.12936	0.3
263.16455	0.5
273.18640	0.4
275.16592	0.3
293.17654	1.3
293.20978	0.4
296.75543	0.3
299.99118	2.5
300.99792	1.1
315.23337	2.3
319.15619	0.4
337.16675	1.1
345.20859	0.6
347.25885	0.3
359.22437	1.3
403.28369	0.5
447.06354	1.8
447.27551	100.0
448.27902	16.3
464.22028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2754
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
55.01884	2.2
57.03449	5.4
59.01381	4.5
59.50097	1.0
69.03455	6.8
70.85533	1.0
71.01379	3.2
71.05030	17.9
71.70197	1.0
71.84501	1.0
73.02956	2.7
77.04023	1.2
79.01901	1.3
81.03475	3.8
82.64554	1.0
83.01396	2.5
83.05023	9.8
85.02959	8.4
93.03452	1.8
95.01408	3.0
95.05033	13.4
97.02962	6.1
97.06598	2.6
99.04538	19.0
107.05032	3.6
108.02190	1.5
109.02965	10.3
109.06621	2.0
111.00941	1.6
111.04536	8.7
113.02444	5.4
121.03072	1.2
122.03717	1.8
123.04517	5.0
124.01694	7.2
124.55251	1.2
125.02447	7.8
125.06112	4.2
127.04024	31.0
136.05394	1.4
137.02461	4.9
137.06058	2.4
138.03226	1.8
139.04025	75.7
140.04375	3.0
149.06184	1.3
151.00278	1.3
151.04001	6.7
152.01163	4.7
152.04787	4.2
153.05569	4.0
153.60112	1.2
161.02330	1.5
163.04073	1.9
165.01978	4.7
165.05608	1.4
166.02682	2.2
167.03531	7.7
167.07121	1.8
169.05092	3.8
178.06328	1.3
179.03493	3.5
191.11070	1.1
193.05026	2.2
194.05954	1.2
202.63626	1.2
205.16087	1.3
207.06647	1.2
221.08252	1.4
247.17017	1.7
249.11418	1.6
249.24908	1.1
271.17004	1.1
275.20151	2.1
278.67340	1.1
283.38138	1.1
287.20279	1.6
297.16177	1.3
299.99149	22.8
300.99954	8.6
301.30957	1.4
303.15948	1.5
304.43625	1.1
315.19772	2.2
317.17578	1.5
319.22794	2.1
333.16934	1.4
347.18677	1.7
347.25803	1.8
349.23560	1.6
351.02078	1.2
373.19858	2.7
385.27527	1.5
387.25461	14.0
388.26199	5.2
391.24911	6.9
401.27139	3.1
403.28510	4.5
405.26694	6.6
429.21735	2.1
429.26520	5.6
430.26770	1.6
447.06097	12.5
447.23459	81.5
447.27841	100.0
448.05933	2.4
448.23795	13.4
448.28140	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	447.2388
Annotation	Ugaferin
Peak:m/z	Relative Intensity
57.03424	2.4
59.01365	1.6
65.92848	0.5
69.03436	0.6
71.05025	4.1
78.85535	0.6
79.01871	0.9
81.03452	1.0
83.01359	0.7
83.04986	1.7
85.02924	2.1
85.06565	0.9
86.02402	0.5
91.88760	0.6
95.01388	1.1
95.04996	1.5
97.02934	0.8
99.04504	2.9
107.04973	0.6
109.02966	2.9
109.06539	1.8
111.00827	0.6
111.04495	1.6
123.04478	2.0
124.01628	2.4
125.02453	4.6
125.06013	1.3
127.04029	5.8
135.04504	0.7
136.75003	0.6
137.02420	0.7
138.03145	0.7
139.04018	13.3
149.06078	0.9
150.03210	0.7
151.00305	1.6
151.04007	3.0
151.07527	0.7
152.01073	0.8
152.04861	2.7
153.01936	5.2
153.05571	4.9
163.03979	1.1
164.04706	1.7
165.01868	1.1
165.05511	1.2
166.02615	1.3
167.03510	7.0
173.06079	0.5
177.05502	0.9
178.02696	4.6
178.06360	0.9
179.03415	1.4
179.06958	0.9
180.04214	0.7
181.05093	3.5
191.05698	0.6
191.07140	7.6
193.05061	1.1
193.08536	0.7
196.03690	0.7
201.09203	0.5
203.86829	0.6
205.05145	3.5
206.09355	1.8
207.06468	1.3
209.08205	9.4
211.13283	1.2
219.06377	0.8
223.06078	1.1
224.06396	0.6
233.08047	1.5
234.08795	1.7
235.09598	1.1
245.11684	1.8
246.12251	0.7
247.13286	0.6
251.09192	1.6
260.13867	0.9
262.42157	0.7
263.12875	10.2
264.13092	1.1
273.11102	1.3
288.13513	1.8
289.14331	1.5
291.12161	0.8
299.95999	1.0
299.99121	13.0
300.99667	4.5
306.14438	0.7
319.18863	0.8
373.20184	0.9
383.98990	0.6
387.21341	0.8
391.21057	0.6
401.23395	0.8
405.22202	0.8
415.37506	0.6
429.22870	8.1
430.22919	2.1
447.06082	6.3
447.23532	100.0
448.05997	0.7
448.18179	0.8
448.23932	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	447.2391
Annotation	Ugaferin
Peak:m/z	Relative Intensity
55.01880	1.4
57.03452	5.8
59.01390	4.8
65.00307	1.2
69.03451	5.1
69.38392	7.6
71.01387	1.9
71.05028	15.5
73.02958	1.6
77.03969	1.0
79.01883	2.9
81.03454	4.2
81.41090	1.1
83.01381	2.3
83.05009	6.9
85.02951	5.7
87.04526	1.7
93.03448	1.2
95.01399	2.9
95.05045	11.9
97.02955	6.3
97.06592	2.9
99.04536	10.0
107.05036	2.1
109.02956	5.7
109.06588	1.6
111.04536	5.3
113.02449	3.3
119.05048	1.8
121.02976	2.1
122.03716	1.4
123.04513	2.7
124.01674	13.8
125.02470	6.3
125.06113	1.5
127.04020	19.4
133.61531	1.0
135.04570	1.2
136.05344	0.9
137.02431	3.1
137.06155	1.2
138.03261	1.5
139.04022	82.9
140.04356	3.6
141.05577	1.0
145.02946	2.6
151.00368	1.9
151.03996	4.2
152.01202	5.9
152.04779	2.9
153.05565	3.7
163.04012	1.4
163.11285	1.1
165.01909	6.9
166.02678	2.9
167.03520	4.6
167.07043	2.0
169.05049	2.4
175.04073	1.1
179.03526	4.6
193.05080	2.4
235.09785	1.2
243.17699	1.1
261.18631	1.7
275.20166	1.3
287.20132	1.9
299.99118	19.2
300.99960	7.7
315.19537	1.8
317.17523	2.1
319.22668	1.7
331.22913	2.0
333.17065	1.4
347.18750	5.3
347.25964	1.4
387.25479	9.1
388.25928	2.6
391.24908	3.7
401.27222	1.6
403.28525	2.9
404.29156	1.2
405.26392	4.2
411.22308	1.1
429.22125	2.1
429.26740	3.1
430.22888	1.3
447.05954	10.8
447.23743	100.0
447.28174	50.1
448.06027	1.4
448.24240	18.3
448.28714	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	447.2389
Annotation	Ugaferin
Peak:m/z	Relative Intensity
53.36511	0.4
57.03446	1.4
59.01354	0.5
61.84851	0.4
62.49879	0.4
64.14725	0.4
69.03454	2.8
71.05023	5.1
79.01896	1.6
80.58450	0.5
81.03462	1.5
83.01377	0.8
84.02183	0.5
85.02953	0.4
86.94125	0.4
87.00884	0.5
87.87908	0.4
93.03465	0.7
95.01397	0.6
95.05041	5.5
97.02956	6.2
97.06625	0.8
98.03780	0.4
109.02972	2.2
109.03860	0.4
109.06633	0.7
121.02950	1.4
123.04497	0.6
124.05341	0.6
125.02449	2.0
137.02431	1.2
138.03230	3.4
139.04018	38.3
140.04344	1.5
142.15826	0.5
149.06097	0.7
151.04010	0.7
152.99678	0.5
153.05527	0.5
163.07564	0.5
165.01942	5.6
166.02724	15.3
167.03127	0.7
170.02295	0.8
179.03471	1.6
180.04280	5.9
193.05064	9.7
194.05780	0.7
198.01712	1.8
205.12386	0.9
206.55809	0.4
207.06639	3.0
209.08305	0.6
219.17508	1.5
221.08128	0.8
226.04836	0.5
235.09746	2.3
249.11311	4.4
250.11966	2.5
261.18533	3.8
263.12961	0.9
289.14386	0.5
299.99091	4.8
300.99805	1.9
303.16025	0.7
304.16730	1.0
305.17590	4.2
317.17734	0.6
429.22943	0.8
447.06229	3.3
447.23917	100.0
448.06494	0.6
448.24234	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21006	0.2
55.01887	0.5
55.16299	0.2
57.03445	0.4
58.00604	0.2
59.01097	0.3
59.01384	6.7
61.98830	0.5
69.03451	0.4
71.01386	5.3
72.99310	0.4
73.02953	1.5
77.03988	0.3
79.01890	1.6
79.31687	0.2
83.01389	0.8
85.02956	2.0
87.00886	0.6
89.02454	4.4
90.02764	0.2
91.05531	0.3
93.03445	0.5
95.01385	0.4
96.96004	0.3
97.02989	0.5
97.18182	0.2
98.20650	0.4
99.00893	0.5
101.02455	4.4
111.04529	0.5
113.02454	2.7
114.10722	0.2
119.03518	0.8
119.05021	2.5
121.02962	1.1
123.04563	0.2
125.02442	0.9
131.03514	0.7
134.17957	0.2
135.04530	2.2
143.03455	0.5
148.59195	0.2
149.04535	0.7
151.04019	0.4
152.04776	0.9
153.05537	0.9
155.10883	0.3
159.02965	0.2
161.04578	1.9
165.01952	2.8
166.02380	0.3
167.10814	0.4
167.14415	0.8
179.03513	3.5
179.05623	0.4
180.04295	8.0
181.04692	0.4
181.12471	0.3
183.13907	6.7
184.14209	0.6
191.03424	0.2
193.12381	1.5
197.04645	0.2
200.01170	0.2
207.03014	7.7
208.03423	0.3
211.13405	100.0
212.03305	0.8
212.13739	7.3
216.00670	0.4
235.08211	0.5
244.00134	0.6
253.09309	13.4
254.09653	0.7
271.02655	0.4
285.07703	7.7
286.08023	0.5
287.09299	2.9
297.07684	4.3
298.08060	0.4
299.99142	18.6
300.02487	0.9
300.99835	5.1
301.03244	0.5
302.00314	0.3
314.07867	0.4
315.08652	1.8
315.18204	1.2
316.09415	0.3
447.05734	9.7
447.12930	10.0
447.22256	3.1
448.06143	1.1
448.13281	1.6
448.22458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57640	0.4
56.51463	0.4
57.73416	0.3
58.00604	0.4
59.01384	100.0
60.01729	1.3
61.98842	1.9
62.59495	0.4
69.29657	3.4
71.01390	5.4
72.99339	0.5
77.29732	0.4
83.01404	0.5
85.02981	1.4
89.02452	9.8
95.01458	0.4
96.96033	0.4
101.02446	2.0
103.90914	0.4
107.01424	0.8
109.02955	0.5
113.02457	2.7
117.03459	3.9
119.03517	3.5
119.05038	0.9
121.02962	0.5
123.00905	0.4
124.01662	2.1
125.02468	0.6
131.03506	0.7
139.04056	0.7
140.34717	0.4
143.03537	1.0
145.02954	14.8
146.03320	0.5
148.01721	0.4
149.02466	0.4
151.00363	2.4
157.83443	0.4
160.01738	0.5
161.04486	0.4
163.00455	0.8
163.04065	1.4
173.09309	0.4
175.04115	0.5
178.99913	1.2
179.05685	2.1
183.10295	0.5
200.01131	0.8
211.04141	0.6
216.00613	0.8
227.03618	0.6
243.03075	1.7
244.00160	1.0
255.03023	4.0
271.02493	8.0
272.02826	0.9
283.02255	0.4
285.04156	1.3
298.98416	0.6
299.99210	30.8
300.02832	13.4
300.99887	9.0
301.03604	9.8
302.00366	0.6
302.03952	0.9
307.08228	1.9
332.95953	0.4
351.27698	0.4
443.04965	0.4
447.05835	11.2
447.11008	3.1
448.05280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51918	0.8
55.88546	0.7
59.01381	100.0
61.98819	2.2
64.74248	0.7
69.62334	1.7
69.62745	4.5
71.01390	9.8
73.71261	0.7
83.87837	0.7
85.02924	1.5
87.00848	1.1
89.02449	12.9
100.52808	0.8
100.87991	0.7
101.02452	4.4
102.64697	0.8
107.01378	0.8
113.02470	4.4
119.03516	4.1
125.02367	0.8
125.03983	0.7
127.93496	0.7
135.87021	0.8
143.03333	1.5
151.00157	1.6
161.04312	2.9
168.00401	2.0
169.01202	1.1
179.05295	4.5
190.04628	0.7
198.62749	0.8
200.00792	1.7
216.00266	1.2
227.02968	38.6
227.05415	4.2
227.06694	1.4
228.03336	3.3
229.04597	1.2
242.98840	1.7
243.99719	1.3
255.02310	45.0
255.05269	5.6
256.02890	8.1
257.03925	1.0
270.98102	9.4
271.01227	1.8
271.98883	1.1
284.02423	41.2
284.05951	5.5
285.03064	13.9
285.06589	1.7
286.03726	1.1
298.97427	9.2
299.98175	75.2
300.01987	11.2
300.98798	15.8
301.02701	2.2
313.99673	5.0
315.00424	34.4
315.04517	5.2
316.00677	3.5
387.19159	1.4
447.03726	37.4
447.07996	12.2
447.14362	9.3
447.17783	3.4
448.03909	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	447.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.2
57.43349	0.9
59.01376	4.6
62.82905	0.8
62.96414	2.0
66.77461	0.8
69.03440	1.1
70.88444	0.8
71.05024	2.5
71.85323	0.8
72.68075	0.8
78.95909	47.7
79.01906	2.4
81.03449	5.4
83.01398	3.8
83.05016	4.4
85.02963	10.4
87.00875	1.5
95.01377	1.7
95.05047	4.3
96.96968	2.2
97.02964	2.6
97.06597	1.0
98.19894	1.9
99.04509	1.8
107.05058	1.8
109.02956	1.5
109.06615	2.2
111.04546	1.1
119.08636	1.2
121.02972	1.5
121.06627	1.0
123.04539	6.5
123.08154	1.5
124.01672	3.0
124.05309	37.9
125.02448	41.2
125.05631	1.3
126.02777	1.2
127.00228	0.8
135.04507	1.0
135.08246	1.3
135.23141	0.8
137.02441	1.4
138.03239	2.6
139.04019	18.3
140.04396	1.0
149.00093	20.8
149.06082	1.3
151.00398	2.8
151.04021	2.4
152.01186	2.0
152.99626	3.2
153.05630	2.9
158.92584	1.7
163.04066	1.1
165.05508	1.3
166.02710	4.6
167.03523	3.2
167.07164	1.2
179.01196	2.7
179.03505	5.6
191.07071	1.2
200.01154	1.2
205.08647	1.3
205.16008	1.5
207.06715	1.7
208.07260	0.9
211.13400	6.9
212.06926	1.0
221.04735	0.9
223.09769	1.1
253.09430	1.4
261.11258	1.6
261.15030	1.3
262.12024	2.0
267.11783	1.0
279.12537	1.7
299.99142	31.8
300.01968	1.2
300.99863	12.0
304.13165	1.2
319.15887	1.3
321.17422	0.9
385.20273	2.1
387.18082	10.5
401.19919	2.5
429.23315	1.8
431.10452	2.3
447.06119	16.4
447.13602	100.0
447.24219	51.9
448.06946	1.7
448.14032	13.4
448.24710	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
59.01384	100.0
60.01718	1.2
69.75353	1.9
69.75774	1.2
71.01392	11.4
71.01769	0.8
73.02953	2.2
83.01405	1.0
85.02947	4.7
89.02451	5.0
94.40812	0.4
95.01423	1.1
98.19878	1.0
99.00910	1.6
101.02455	10.0
106.34190	0.5
113.02470	4.6
119.03519	1.8
120.99702	0.6
124.56751	0.5
125.02472	1.2
143.03571	1.0
159.03040	1.9
161.04561	13.0
168.00706	1.0
169.01459	1.0
179.05684	0.7
216.00693	0.9
233.60327	0.5
237.44708	0.5
299.99118	25.3
300.99823	7.2
328.68362	0.5
329.05276	0.6
387.20285	15.5
388.20743	2.1
447.05594	12.5
447.22629	0.7
448.06253	1.4
464.74918	0.5
468.07309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.3
57.03447	16.0
58.76591	2.1
59.01380	19.4
60.01715	2.2
61.98829	7.6
62.69927	1.9
67.01915	2.3
67.27425	2.1
67.33138	2.2
68.99806	2.7
69.03450	5.4
71.01365	3.6
71.05017	7.6
71.59398	3.6
73.02940	3.3
79.01893	13.9
81.03459	11.1
83.01376	4.4
83.05032	11.4
85.02953	27.0
85.06593	4.8
87.00880	7.8
87.04520	2.5
93.03471	3.8
95.01376	5.8
95.05043	12.4
97.02963	10.7
97.06600	3.7
99.04514	8.1
107.05027	6.2
109.02955	11.4
109.06587	8.0
110.08210	2.0
111.00899	10.4
111.04516	14.9
113.02449	9.3
119.03608	2.0
121.02940	5.2
121.06583	3.9
122.03754	4.2
123.00847	5.1
123.04530	33.2
123.08145	2.2
124.01647	8.4
124.05341	3.0
125.02462	27.3
125.06070	6.6
127.04001	9.2
133.06560	2.6
135.04477	5.9
135.08186	7.0
136.05280	2.8
137.02460	25.9
137.06091	3.9
137.09755	2.9
138.03233	14.6
139.00401	4.1
139.03020	2.6
139.04033	28.7
141.01915	6.7
141.05542	2.1
147.89037	2.1
149.02425	6.3
149.06055	4.0
150.03220	5.5
151.00365	7.6
151.04027	14.3
152.01187	3.2
152.04747	2.7
153.01936	6.5
153.05577	36.9
154.05893	3.9
157.52782	2.2
161.09766	5.1
163.04031	11.6
163.07652	3.9
164.04701	3.4
165.01920	6.4
165.05547	7.6
166.02678	8.2
167.03502	13.6
167.07182	4.0
170.02289	4.7
170.86267	1.9
174.16249	1.9
175.07712	1.9
177.01903	4.8
177.05524	7.8
177.09215	3.9
178.02757	2.7
178.06332	2.1
179.03508	15.1
179.07208	13.3
179.10797	3.8
180.04247	9.3
180.07700	2.0
181.04971	2.6
183.02957	4.0
189.05603	3.8
189.09235	3.3
189.12825	3.9
191.07132	10.0
193.01395	7.1
193.05019	6.1
193.08574	2.5
194.05769	7.9
203.01512	2.3
205.05130	3.0
205.08722	10.5
205.12273	3.4
206.09340	3.1
207.03008	6.1
207.06639	15.1
207.13887	3.7
209.08078	10.2
216.00446	4.4
217.12297	10.1
219.10251	2.4
221.04572	3.9
221.08144	4.9
221.11739	2.8
222.08974	4.1
233.11826	5.8
233.15236	2.8
243.99928	2.9
245.11691	4.9
247.09698	3.4
249.11258	3.9
259.13370	6.2
260.14166	4.2
261.11298	23.9
262.11697	2.3
263.12881	7.9
275.12949	3.2
276.13693	8.6
277.14456	10.8
289.10828	4.9
299.99127	100.0
300.99863	47.4
302.00128	3.9
303.12262	3.4
304.13168	11.9
305.13858	5.6
319.15485	3.5
333.17044	5.0
336.12219	4.6
343.19138	3.2
347.18918	2.8
359.18442	3.8
385.19949	3.0
387.18155	7.9
401.19562	23.6
402.19968	4.3
403.21146	2.8
405.19284	3.0
406.10110	2.3
413.19559	13.0
414.20090	3.0
419.20728	8.9
429.22620	9.3
447.05692	51.7
447.22552	36.4
447.27658	59.7
448.05801	8.1
448.23727	8.9
448.28613	4.5
460.10904	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	447.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03458	4.4
59.01392	8.6
60.99322	6.3
61.98518	2.5
61.98838	39.7
65.00329	3.9
69.03431	1.8
71.05061	2.4
71.61515	1.8
73.02952	1.9
74.08180	1.1
77.93838	1.2
78.95906	1.9
79.01909	1.7
81.03471	3.1
83.01388	3.1
85.02960	64.6
86.03300	1.9
87.00885	20.8
88.98812	29.1
97.02958	1.4
99.04507	7.0
109.02956	1.5
109.06657	1.2
111.00907	6.0
111.04519	1.4
113.02450	3.2
115.04050	2.7
123.04540	7.8
125.02466	25.3
127.04024	2.3
137.02480	1.8
138.03249	2.1
139.03998	1.9
141.05566	1.0
143.03534	4.0
149.06100	3.4
151.00352	1.7
151.04013	2.1
152.99605	1.5
153.05589	2.7
165.05602	2.7
167.03511	7.3
170.02315	1.4
178.02747	1.3
185.04578	1.7
208.97679	4.2
225.00777	11.2
279.23325	4.1
299.99121	18.7
300.99805	7.4
303.23291	5.3
347.25943	20.0
348.26285	2.6
357.20761	1.9
359.25671	1.4
366.79300	1.2
369.24081	2.3
384.23331	1.3
385.23816	15.1
385.28207	2.3
387.25443	35.7
388.25784	4.5
403.28500	1.9
405.26221	1.4
429.26611	8.7
430.27039	1.8
447.05389	10.9
447.10657	3.9
447.27515	100.0
448.05704	2.0
448.27966	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	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.48972	0.2
62.96400	1.5
63.54577	0.3
68.23285	0.3
70.35192	0.4
70.35575	0.5
70.65295	0.3
71.05022	0.4
78.95911	38.1
79.01929	0.3
81.03455	0.4
83.05046	0.3
95.05036	0.5
96.96986	2.6
109.06600	1.6
112.35819	0.3
113.02470	0.3
125.02448	3.0
127.46944	0.2
139.04004	1.6
149.00101	18.9
150.00470	0.4
151.04005	0.4
152.51253	0.3
153.05589	0.8
158.92543	1.8
166.02744	0.5
179.01163	2.6
179.03516	0.4
185.66396	0.3
191.10800	0.4
205.15974	1.6
211.13347	0.6
240.96957	0.4
249.11403	0.4
261.11279	0.5
267.11557	0.5
277.10870	1.0
296.14749	0.3
299.99097	4.3
300.99911	2.1
337.12900	0.3
347.08264	0.9
387.18262	0.7
417.12683	1.4
431.10159	2.3
432.10657	0.4
447.13470	100.0
447.22919	4.0
448.07248	0.5
448.13818	11.9
448.19711	0.5
464.10364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.1
59.01392	9.0
60.99313	5.6
61.98832	21.6
65.00323	1.2
65.94528	0.9
69.03461	1.2
69.70776	6.9
71.01369	1.4
71.05025	2.9
73.02962	1.9
79.01907	2.7
80.63844	1.1
81.03451	1.9
83.01411	1.9
83.05034	2.0
85.02961	68.0
86.03266	1.5
87.00883	18.1
88.98812	32.7
95.05025	1.5
97.02928	2.1
99.04530	7.5
109.02946	1.3
111.00884	6.4
113.02455	2.6
115.04000	3.7
123.04526	4.9
124.01654	1.9
125.02457	16.5
125.06057	1.4
127.03987	2.5
136.05243	1.3
138.03209	1.6
143.03503	4.6
149.06143	1.8
151.00391	1.3
151.03993	1.4
151.07518	1.0
153.05592	2.8
162.03235	1.7
163.04021	2.8
166.02663	1.6
167.03490	8.5
170.02275	1.1
185.04497	1.2
190.29251	1.0
208.97516	1.5
225.00751	4.8
249.30894	1.0
262.57886	1.1
279.23373	3.9
299.99112	13.9
300.99866	6.6
303.23398	5.4
305.24945	1.4
347.25897	19.5
348.26248	3.6
357.20593	2.2
369.24252	2.0
384.22626	1.6
385.23593	6.3
387.25403	37.6
388.25833	4.5
401.27191	1.9
429.26398	8.7
447.05475	6.4
447.27499	100.0
448.28009	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	447.1297
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
55.01884	2.1
58.00610	1.6
59.01383	20.1
61.98835	2.4
68.99832	1.0
71.01389	14.5
72.26569	0.9
73.02946	5.2
77.03998	1.0
79.01901	11.7
83.01393	1.8
85.02955	5.4
87.00884	1.0
89.02448	10.3
91.05552	2.4
93.03445	4.3
95.01424	1.0
97.02939	1.4
101.02451	12.8
103.51649	0.9
109.02919	1.2
111.04520	5.3
113.02427	5.0
117.03484	3.4
119.03568	1.1
119.05040	14.4
121.02944	6.6
123.04542	2.2
124.01667	1.1
125.02428	1.6
131.03499	2.9
133.02951	2.0
134.03760	5.6
135.04541	21.1
137.06065	1.5
145.02991	1.5
149.02502	1.1
149.04543	4.3
150.03209	1.5
151.04001	4.6
152.04800	10.2
153.05598	11.3
159.04523	1.2
161.04543	3.3
161.05745	1.1
163.04039	1.1
165.01929	11.7
167.03569	1.0
173.02397	0.8
175.04086	1.5
178.02733	1.9
179.03506	37.2
180.04291	93.5
181.04657	5.5
183.13937	1.5
184.03831	1.9
191.03520	2.9
191.05502	1.5
193.05089	1.1
197.04532	1.9
200.01257	1.4
201.01945	1.2
203.03491	2.1
207.02991	76.4
208.03323	5.7
211.13400	35.7
212.03256	9.5
212.13681	3.0
216.00642	3.2
229.01331	2.3
229.08638	0.9
230.02242	1.3
231.02995	2.9
242.99252	1.5
244.00104	2.6
251.01765	1.0
253.09163	3.5
255.03014	1.2
257.01169	1.2
271.02377	2.8
271.09778	3.6
285.04517	1.5
285.07706	25.5
286.08173	2.1
287.09247	25.4
288.09631	2.4
296.80472	0.9
296.84650	1.1
297.07706	43.9
298.08099	4.6
298.98422	1.3
299.99127	76.4
300.02435	3.0
300.99789	21.7
301.03354	1.5
314.07986	3.4
315.08768	20.7
315.18069	7.6
316.09134	2.5
327.08725	2.6
359.11414	1.0
399.25656	1.0
400.02924	1.0
401.12515	0.9
403.10144	5.1
447.05728	42.4
447.12927	100.0
447.22165	11.4
448.06104	6.6
448.13272	13.3
448.22894	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01383	4.1
61.98830	0.8
62.96417	1.6
65.00323	0.3
67.65679	0.3
68.99825	0.6
69.03456	0.6
70.75909	0.8
71.01398	0.7
71.05023	0.8
72.16669	0.3
73.02950	0.4
74.21058	0.3
78.95911	41.1
79.01894	1.1
81.03464	1.4
83.01389	1.0
83.05028	1.0
85.02965	1.2
85.06608	0.9
93.03464	0.4
95.01389	0.9
95.05042	1.7
96.96035	0.7
96.96967	2.3
97.02969	1.1
97.06596	0.8
99.04536	0.5
107.05061	0.8
109.02962	1.4
109.06604	6.7
111.00902	0.3
111.04527	1.4
113.02486	0.6
121.02956	0.7
121.06592	0.4
123.00886	0.4
123.04555	1.4
123.08180	0.6
124.01695	1.4
125.02454	10.4
135.00966	0.4
135.04597	0.5
135.08154	0.9
137.02461	0.7
137.06064	0.6
138.03261	1.1
139.04015	6.4
139.07678	1.8
140.04344	0.4
141.01939	0.6
147.08205	0.4
149.00102	19.9
149.06088	0.5
149.09724	0.6
150.00484	0.6
151.00383	1.0
151.01642	0.5
151.03992	2.3
151.07686	1.1
152.01167	0.6
152.99623	1.4
153.01962	0.9
153.05574	5.4
158.92589	1.1
160.01729	0.4
163.07716	0.5
163.59721	0.3
165.01947	0.7
165.05617	0.4
166.02774	1.0
166.06416	0.7
167.03477	1.8
167.07188	1.6
179.01195	3.0
179.03503	4.5
180.04254	1.1
183.03084	0.5
189.05438	0.3
191.10823	1.7
193.05106	1.1
193.12502	0.4
194.05881	0.6
195.06628	1.2
198.01746	0.4
205.08786	0.5
205.16014	1.5
207.06648	1.0
209.08232	0.8
211.13445	3.2
216.00690	0.6
221.04671	0.8
221.08133	0.9
221.11855	0.7
222.09029	0.8
223.09776	1.2
226.08554	0.4
235.09683	0.8
240.96698	0.5
242.08023	0.7
244.00096	0.7
247.09755	1.6
249.11424	0.5
265.10846	2.7
271.99652	0.3
277.10913	1.5
279.12442	0.6
295.11981	1.6
299.99146	20.1
300.99878	9.3
301.03348	0.6
302.00449	0.5
303.12582	0.5
305.14059	0.5
315.96506	0.4
321.13455	0.5
331.11908	1.1
331.15375	5.0
332.15707	0.4
333.06781	0.4
337.12741	0.7
359.18738	0.9
373.16290	0.4
387.18085	4.2
388.18387	0.5
403.21317	0.4
417.12341	1.0
429.18573	0.6
429.23447	0.6
431.10324	2.8
446.33640	0.5
447.06183	11.3
447.13586	100.0
447.19644	10.0
447.24979	18.3
448.06546	1.5
448.13977	12.6
448.20248	1.8
448.25641	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	447.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16401	0.4
59.01384	29.4
60.01708	0.5
61.98843	2.4
65.48428	0.5
71.01381	4.5
73.02953	1.1
79.45247	0.4
83.01402	0.8
85.02963	1.8
85.25516	0.4
89.02456	3.3
93.03437	0.5
95.01427	0.5
96.96027	0.9
101.02460	2.6
107.01371	0.6
108.02200	1.5
108.80012	0.5
109.02967	1.3
113.02462	1.6
117.03479	29.4
118.03825	1.5
119.03577	1.0
119.05042	7.2
121.02978	0.8
123.00904	4.7
124.01672	10.8
125.02465	1.7
132.02219	0.9
133.02962	1.0
134.03787	0.7
138.03244	0.8
139.04018	5.6
139.83701	0.4
143.03540	0.6
145.02963	100.0
146.03304	4.9
151.00349	2.5
160.01657	5.1
161.02364	0.9
161.04645	0.7
163.00378	0.8
163.04027	6.6
164.04231	0.5
175.04045	6.0
178.99875	1.0
179.05652	0.5
193.05106	0.7
200.01172	1.3
205.04962	0.5
211.03949	0.6
216.00555	1.5
227.03598	0.7
242.99353	0.8
243.03023	0.6
244.00192	1.1
254.02454	0.6
255.03061	3.0
270.99420	0.7
271.02475	5.7
283.99771	0.6
298.98508	0.7
299.99146	42.4
300.02765	10.3
300.99838	15.7
301.03522	8.0
302.00320	1.2
302.03708	1.2
303.81842	0.5
307.08228	13.0
308.08710	1.4
315.01175	0.6
337.09326	0.9
350.40137	0.5
394.56366	0.5
447.05759	17.3
447.12979	30.9
448.06119	2.8
448.13547	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	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83630	0.6
59.01384	13.1
61.98842	1.9
63.22944	0.7
65.00323	2.1
69.48206	0.7
71.01391	4.7
73.02933	1.2
75.02860	0.8
77.03968	2.3
79.01900	11.0
83.01414	0.8
85.02950	2.1
87.00903	1.6
89.02444	3.0
93.03482	6.4
96.96024	0.8
97.02958	3.2
98.20676	1.2
101.02448	3.1
107.01408	1.5
107.05022	0.8
109.02942	0.9
111.00870	0.9
111.04526	0.8
112.54858	0.7
113.02462	1.6
117.03495	0.8
119.05038	42.3
120.05400	1.7
121.02969	14.0
123.00883	0.9
123.04454	0.7
125.02486	2.2
131.37619	0.8
132.02208	0.8
135.04521	3.9
137.02457	1.2
137.09697	1.5
139.04092	0.8
145.02933	1.5
149.02472	1.0
150.03275	0.8
151.00378	4.8
151.03922	0.9
153.02011	0.8
153.05536	0.9
153.09248	1.0
155.10728	1.0
161.04616	1.4
165.01944	35.9
166.02292	1.4
172.01671	1.3
178.99919	1.6
179.03526	6.9
180.04314	7.1
183.02977	1.5
183.13979	0.9
188.01202	1.0
189.01939	1.1
191.03543	4.6
197.04517	1.0
200.01178	1.6
207.03020	5.8
211.13412	20.4
212.13757	1.6
216.00690	2.0
228.00598	0.9
239.03290	0.8
242.99248	1.6
243.03110	1.0
243.99997	1.7
253.09216	3.6
255.02985	1.8
259.53979	1.0
267.02893	1.2
270.99130	1.0
271.02530	3.3
285.07697	100.0
286.08044	10.7
295.02466	2.8
296.03131	1.4
297.07657	9.5
298.98346	0.8
299.99149	80.3
300.02585	6.3
300.99786	24.4
301.03470	6.7
302.00281	1.7
309.07764	1.0
314.04355	0.9
315.01636	1.2
327.08664	2.9
357.26416	0.7
375.27921	1.0
387.20294	1.4
396.30878	0.7
447.05811	40.7
447.12933	6.2
447.20068	1.6
448.06216	5.3
448.13135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15425	0.6
55.01881	1.2
58.00594	0.7
59.01097	1.3
59.01383	22.4
65.00327	0.8
67.01890	0.9
69.03452	1.1
70.57694	1.2
70.58070	1.4
71.01385	11.3
72.99320	1.3
73.02933	1.9
76.50758	0.7
77.96712	0.7
79.00996	0.7
83.01415	1.6
85.02966	3.7
87.00864	1.3
89.02456	5.7
95.01389	1.7
96.59953	0.6
97.02929	1.1
99.00853	1.6
101.02444	9.4
107.01423	4.0
109.02973	0.9
111.00861	2.1
112.03645	0.6
113.02454	4.9
115.04044	1.2
119.03481	3.2
123.00904	9.6
124.01669	1.5
125.02448	21.4
126.02802	0.7
133.05090	1.8
136.98828	1.2
137.02374	0.8
137.17093	0.7
139.00378	4.6
140.01128	2.3
141.02011	1.0
143.03537	0.9
151.00372	6.9
151.93492	0.9
153.01926	0.8
161.04565	2.9
166.99728	0.9
168.00650	6.7
169.01431	31.4
170.01730	1.0
174.12389	0.7
195.03000	1.9
211.02477	21.4
212.02768	0.9
235.08202	1.2
255.05078	1.2
271.04593	35.7
272.04886	2.2
295.10330	16.6
295.13394	1.4
296.10831	1.3
313.05597	2.1
331.06625	4.0
378.24503	0.8
385.11478	2.5
387.04147	1.4
387.09320	29.0
388.09479	2.7
429.10410	2.4
447.11377	100.0
448.11713	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	447.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17904	0.8
57.81686	0.9
58.00592	1.4
59.01096	1.8
59.01382	29.9
69.59089	7.1
71.01389	17.8
72.99311	1.5
73.02936	1.0
83.01389	1.2
83.99353	0.9
85.02939	2.4
87.00885	1.6
89.02448	19.8
95.01420	2.0
101.02454	13.5
107.01382	5.0
111.00908	1.4
113.02453	6.5
119.03506	11.6
123.00864	2.5
124.01669	2.7
125.02460	32.9
133.05098	2.1
136.98801	1.6
139.00369	4.1
139.04010	1.3
140.01117	4.0
151.00391	3.2
160.67632	0.9
167.03502	2.2
168.00659	13.7
169.01440	42.7
170.01772	2.0
180.41541	0.9
210.32539	1.1
211.02492	62.6
212.02773	3.0
241.03636	1.3
271.04593	47.8
272.04810	3.9
295.10345	63.6
296.10574	4.0
299.99036	3.1
300.99878	4.7
313.05481	1.5
328.99313	5.0
331.06705	1.7
356.98685	2.7
447.01450	2.8
447.11322	100.0
448.11716	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29735	0.8
51.62167	1.0
52.36594	0.8
57.03441	2.8
59.01102	1.2
59.01382	16.8
66.91380	0.9
69.03442	1.9
69.50574	6.2
71.01385	13.0
72.99289	0.9
73.02940	3.0
73.14188	0.8
75.00851	1.5
77.48828	0.9
83.01389	1.2
85.02959	9.3
87.00886	1.0
87.04510	7.5
89.02441	8.5
95.01392	2.3
98.20600	1.3
99.00865	1.5
100.58093	0.8
101.02451	7.8
103.37961	0.9
107.01392	5.8
108.02168	2.8
108.41898	0.9
109.02975	2.3
110.00108	1.1
111.00915	2.2
113.02449	6.4
115.04020	12.1
118.89912	1.0
118.98117	1.2
119.03498	3.6
123.00901	10.3
124.01650	1.1
125.02456	27.1
133.05080	31.9
134.05391	1.1
136.98885	1.3
137.02440	1.0
139.00345	4.0
140.01129	3.0
141.01939	1.5
151.00365	6.2
152.01189	6.2
161.04527	1.2
166.99901	0.9
168.00645	6.7
169.01427	36.2
170.01807	1.3
196.08984	0.9
211.02486	25.1
212.02795	1.6
241.03384	1.2
271.04587	40.4
272.04950	2.8
288.53647	0.9
295.10355	53.3
296.10654	4.5
300.99881	1.3
313.05701	5.4
331.06702	6.4
373.07712	7.8
385.07895	3.7
387.09412	9.6
399.09595	1.6
403.08710	1.1
411.09399	3.2
429.10431	7.8
430.10315	0.9
447.11435	100.0
448.11685	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24143	0.4
57.43415	0.3
61.98827	0.5
63.02378	1.1
65.00320	2.6
69.42553	2.9
71.01327	0.3
83.01396	1.7
85.87266	0.3
87.14149	0.4
93.03456	0.7
100.93614	0.4
107.01389	5.1
108.02201	1.8
109.02953	4.6
119.01395	0.7
119.05019	0.4
121.02954	4.2
121.14474	0.3
123.00883	0.5
125.02406	0.5
135.00871	1.7
139.04044	0.5
142.13982	0.4
148.01692	2.6
148.30586	0.3
149.02403	0.8
151.00380	20.8
152.00720	0.8
159.04498	1.2
163.00372	5.4
163.03996	0.5
164.01086	1.3
167.05040	0.6
169.01425	0.8
171.04555	0.6
175.03987	0.5
178.70090	0.4
178.99863	10.1
183.04448	0.8
185.06055	0.7
186.05807	0.3
187.03992	1.4
190.99855	0.8
192.00636	0.8
193.01286	0.4
198.03087	0.3
199.03976	1.4
201.01959	0.5
201.05603	1.4
203.03479	0.8
211.04002	2.6
211.13351	0.4
213.01956	0.4
215.03526	1.1
216.04280	0.7
226.02739	1.3
227.03471	6.3
228.03986	0.9
229.05089	2.0
239.03453	0.8
240.37634	0.4
243.02988	12.3
244.03406	1.1
245.04530	2.7
254.02209	2.0
255.02977	32.3
256.03397	3.5
257.04785	0.4
266.02072	0.4
271.02478	65.8
272.02975	7.0
273.04041	2.0
283.02499	2.6
284.03033	0.8
299.01962	1.6
300.02747	100.0
301.03494	86.0
301.07205	0.7
302.03882	8.3
447.09381	73.7
448.09677	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01298	8.1
59.01629	1.3
61.98745	2.5
65.00280	0.8
67.46488	0.6
69.61768	2.2
69.62194	1.8
83.01292	0.9
85.02850	0.8
89.02370	0.7
90.42261	0.7
101.02347	0.7
107.01318	1.2
111.00803	1.3
113.02399	0.7
117.07908	0.5
119.03372	0.5
123.00755	0.5
125.02377	1.2
129.04216	0.5
139.00339	1.0
140.01117	1.4
151.00323	2.8
153.01834	0.8
161.04492	0.8
168.00620	6.6
169.01350	2.6
174.21774	0.5
183.04449	0.9
183.10245	0.6
202.27058	0.7
211.03935	1.8
216.00587	0.7
227.03510	68.4
228.03868	5.1
229.04980	1.3
248.04131	0.6
255.02998	93.0
256.03528	14.0
257.04312	1.7
284.03265	77.7
285.03934	22.4
286.04449	1.8
298.98569	0.9
299.99133	33.4
300.99875	9.4
302.00317	0.8
314.06470	0.7
315.01489	1.7
327.05215	1.2
329.05203	1.4
447.09647	100.0
448.10068	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01288	2.4
59.01606	0.8
60.49417	0.4
61.84048	0.4
61.98751	1.2
63.02340	0.7
65.00263	1.2
69.26483	5.0
70.78121	0.4
71.01335	0.8
73.02879	0.5
77.63873	0.5
80.04138	0.4
83.01344	1.2
89.02396	0.5
91.01793	0.7
96.95956	0.5
101.02372	0.8
107.01368	3.4
108.02135	0.9
109.02847	2.1
117.03357	1.8
119.04936	0.4
121.02849	2.2
124.01572	0.7
130.02371	0.4
135.00787	1.3
138.01913	1.0
144.25996	0.7
145.02975	6.8
148.01553	1.8
149.02298	0.6
151.00374	11.8
163.00403	2.8
163.03929	0.6
164.01073	0.6
167.04930	0.5
178.99863	4.5
198.03139	0.7
199.03885	0.8
201.01970	0.7
209.36862	0.5
211.03978	1.5
215.03494	1.0
216.00618	0.6
216.04178	0.5
226.02754	2.6
227.03445	4.1
229.01421	0.5
229.04910	0.8
236.00305	0.7
242.02197	0.6
242.99237	0.7
243.02977	18.1
244.03545	0.9
245.04498	1.9
254.02266	3.7
255.02986	24.7
256.03311	2.1
257.04468	0.9
270.01697	0.7
270.58179	0.5
271.02475	71.8
272.02927	8.9
273.03943	1.1
283.02432	1.4
285.04007	1.7
299.01971	1.5
299.99185	29.9
300.02783	100.0
300.99832	8.9
301.03397	54.7
302.03824	3.5
307.08148	0.6
314.04370	3.7
315.05029	0.6
327.08853	0.6
447.09656	77.9
448.09906	12.0
457.71448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Distichin
Peak:m/z	Relative Intensity
53.04123	0.4
59.01379	11.9
61.98831	5.2
65.00327	0.9
69.28655	0.5
70.23194	0.4
73.02938	0.6
83.01392	0.7
85.02972	1.1
89.02448	1.4
91.13985	0.4
93.03477	0.8
95.01386	0.8
96.96022	0.9
101.02470	1.6
107.01382	0.8
111.00892	1.6
113.02450	1.0
119.03474	0.9
123.00885	0.8
124.01706	1.1
125.02451	1.8
132.02206	0.9
135.00891	0.7
137.02425	0.5
139.00342	1.7
139.03877	0.5
140.01202	3.0
145.03024	0.5
151.00378	3.8
153.01869	0.6
159.04514	0.5
161.04568	1.0
163.00369	1.0
168.00633	10.9
168.01976	0.8
169.01440	3.4
172.01706	1.1
174.03098	0.6
175.04076	0.7
178.99887	0.7
183.04524	1.6
184.04996	0.5
185.02460	0.7
185.06075	0.8
187.04025	1.2
188.01108	0.9
195.04504	0.5
200.01105	1.4
201.01956	0.7
211.02313	0.6
211.04047	1.7
211.13463	0.5
216.00645	1.8
227.03493	74.7
228.03864	5.9
229.01431	0.7
229.04971	2.3
239.03473	0.9
242.99258	1.0
244.00169	1.2
248.27744	0.5
255.02979	100.0
256.03558	14.6
257.00919	0.9
257.04337	2.3
258.01630	0.5
269.04422	0.5
270.98978	0.6
271.99551	0.8
284.03256	80.3
285.03928	28.1
286.01508	0.6
286.04251	2.4
297.06439	0.7
298.98380	1.0
299.99094	74.9
300.99792	23.5
301.02856	0.5
302.00235	1.9
314.06424	1.2
315.01419	2.1
327.04654	1.1
329.05194	2.0
387.20081	2.6
402.12057	0.6
447.04153	4.2
447.09964	96.2
448.10376	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	446.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.55341	23.8
87.00883	4.6
95.00018	3.6
99.08172	3.1
123.08158	7.4
142.02289	3.4
167.03479	3.6
167.07082	10.2
174.52704	3.2
218.09531	4.1
224.85757	3.0
299.99033	4.2
304.23404	3.9
381.54541	3.5
383.22006	3.1
403.31830	5.9
404.25018	12.7
446.26236	39.7
446.32562	5.5
447.31448	59.5
455.90222	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	446.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10740	2.2
55.56764	2.2
57.03425	3.0
59.12932	2.0
61.98838	80.5
65.47503	2.1
70.93395	4.7
85.02947	21.4
87.00888	7.7
87.95275	2.3
123.08147	7.5
125.02451	2.5
141.01924	2.7
143.03494	2.5
167.03551	3.3
167.07217	11.7
199.51169	2.2
289.21771	8.9
294.38199	3.0
333.20712	3.0
347.25854	12.8
357.20917	4.2
387.25339	6.3
404.25323	3.3
446.26273	13.6
446.33316	4.4
447.31482	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	447.0572
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
59.01388	0.6
59.01636	0.1
60.93870	0.1
61.98832	0.3
64.14516	0.1
65.55707	0.1
69.28733	1.0
71.26054	0.2
78.86629	0.1
104.02714	0.2
106.84680	0.1
111.91864	0.1
132.02211	0.3
144.02084	0.2
145.02795	0.2
147.00908	0.1
148.01654	0.3
157.02953	0.2
160.01677	0.9
163.00256	0.1
172.01706	1.2
173.02374	0.4
176.01154	0.4
185.02443	0.7
187.00273	0.2
188.01202	0.8
199.00414	0.1
200.01170	2.3
201.01929	0.6
216.00661	2.8
217.01131	0.2
219.80554	0.1
226.27713	0.1
226.99829	0.5
228.00641	0.6
229.01373	1.2
235.97144	0.1
242.27684	0.1
242.99324	1.9
244.00134	2.7
245.00807	0.4
254.99251	0.2
257.00937	0.9
270.98944	1.0
271.99612	0.9
273.00348	0.2
274.23901	0.1
282.98819	0.5
283.99704	0.8
298.98471	1.2
299.99121	100.0
300.99796	30.7
302.00183	2.2
318.32797	0.1
447.05710	48.9
448.06055	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	446.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.57455	1.8
69.73877	10.1
69.74282	3.0
71.84847	1.7
81.03485	2.0
123.08175	3.0
127.80311	1.9
167.07190	4.0
330.25323	2.2
336.72214	2.1
339.23343	4.1
357.04077	1.8
370.28967	2.1
383.22284	30.5
384.22684	5.4
386.63016	2.3
409.66730	2.0
445.29767	4.5
446.29935	35.5
447.30429	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	446.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.50438	1.2
70.55980	1.3
81.03457	2.9
85.02947	3.0
88.00579	1.4
89.34076	1.3
98.19828	3.1
125.02486	2.4
134.26985	1.4
180.67598	1.4
255.89894	1.6
324.47641	1.5
339.23050	2.2
352.64801	1.5
383.22260	25.9
384.22711	2.8
446.25757	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	446.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85696	0.4
54.70233	0.4
55.76459	0.4
59.01384	19.4
60.01711	1.1
61.98835	100.0
69.93069	1.5
69.93460	0.8
85.08517	0.4
108.86883	0.4
115.02516	1.0
117.00487	0.9
117.02259	0.8
119.00235	0.8
159.01501	11.9
159.02727	0.8
160.01662	7.2
161.01231	9.5
161.02328	0.7
161.98964	21.9
162.01646	0.7
162.99101	1.3
201.02493	2.7
202.02715	2.2
203.02409	1.8
204.00000	7.0
301.02753	1.3
302.02792	7.8
303.02448	12.9
303.99985	49.7
304.02768	7.6
304.99991	8.3
379.98267	0.5
394.21036	0.6
411.48514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1093
Annotation	Prunasin 6'-O-gallate
Peak:m/z	Relative Intensity
55.01868	0.6
57.03442	0.8
59.01374	5.7
60.31748	0.5
65.00323	0.6
67.01902	0.9
69.03479	0.7
69.41904	3.7
69.42310	1.1
71.01382	6.1
72.99260	0.6
73.02946	2.4
79.01904	1.7
83.01397	2.0
85.02952	2.3
87.00877	0.8
89.02457	1.6
95.01392	1.6
97.02928	1.1
98.20664	1.1
99.00893	0.9
101.02464	3.6
107.01390	8.4
109.02963	1.1
111.00886	1.9
111.48954	0.5
113.02447	2.4
117.03449	0.8
121.02953	1.6
122.76945	0.5
123.00879	16.0
123.01730	1.0
124.01634	1.5
125.02445	35.0
126.02771	1.5
127.00440	0.8
131.03749	1.9
136.98795	2.3
137.02455	0.7
139.00351	5.7
140.01183	3.2
141.01927	2.1
145.02921	2.8
147.04460	0.5
148.01604	0.7
150.99159	0.9
151.00371	16.2
153.01865	0.8
161.02499	0.7
161.04514	1.9
163.00375	1.5
168.00633	3.3
169.01424	51.0
170.01762	2.1
178.99838	2.5
179.03506	0.8
180.09209	0.5
196.30147	0.5
211.02368	1.2
212.65131	0.6
227.03453	1.0
243.02896	2.7
245.04453	1.0
245.89169	0.5
253.03441	1.0
254.02116	0.9
255.02982	9.0
271.02448	16.0
272.03146	0.8
273.04102	0.9
283.02512	1.1
297.06226	0.8
299.99118	14.0
300.02753	31.0
300.99924	2.6
301.03479	20.9
313.05634	9.8
314.06143	0.7
318.67224	0.6
446.10919	100.0
447.10196	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	445.2968
Annotation	CHEBI:68043
Peak:m/z	Relative Intensity
55.01860	2.0
57.03437	5.0
59.01381	13.4
61.98816	3.0
71.05012	6.7
71.51160	3.2
72.05352	2.0
79.01891	2.3
80.53119	1.4
81.03470	1.8
85.02955	22.2
85.06583	4.8
95.05024	7.4
97.02937	3.4
97.06567	4.2
98.03350	2.0
99.04520	4.9
108.02180	3.1
111.04560	2.2
111.08191	2.9
113.02425	2.3
113.06085	13.3
118.81563	1.8
119.29149	1.6
121.06625	2.1
122.03698	2.1
123.04549	10.4
124.05305	1.9
125.02467	5.2
125.06035	2.2
137.06110	11.7
138.03175	1.9
138.78156	1.9
139.04022	21.4
139.07645	4.0
140.04347	13.6
141.01923	3.6
141.04544	6.1
141.05594	32.8
151.00319	2.5
163.04036	2.2
165.05589	34.2
166.06299	5.7
167.03473	2.7
181.05084	6.5
183.06633	2.0
191.03551	2.4
231.39240	1.6
279.23331	4.0
303.23358	6.4
313.25214	1.8
341.24692	2.5
345.24359	2.7
359.29465	4.0
383.25824	10.2
383.29947	1.9
384.26395	3.1
385.23456	17.7
385.27618	4.8
386.24069	2.0
386.28281	5.0
387.25595	6.0
393.34811	2.2
399.29120	3.8
401.30624	7.1
402.30518	2.4
403.28479	6.3
411.31076	1.6
427.25116	2.5
445.29520	100.0
446.30051	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	445.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03454	0.9
59.01378	2.5
61.98824	1.9
68.99835	0.7
69.50694	3.6
71.05026	0.7
79.01900	0.9
83.01377	0.4
85.02968	3.0
85.06599	0.9
95.01395	0.7
95.04987	0.6
95.75987	0.5
97.02958	1.6
97.06618	0.7
98.19895	0.9
99.08168	0.5
109.02974	0.6
111.04526	0.5
113.02454	0.9
113.06094	1.3
115.03984	0.8
121.06606	7.8
123.04562	0.6
123.08192	2.3
125.02452	0.6
136.05327	5.8
141.01962	7.6
141.05589	1.9
141.06636	0.5
149.06091	100.0
150.06433	5.9
151.95303	0.4
153.05612	0.8
162.06886	0.8
165.05666	0.5
165.14890	0.5
167.03484	0.6
167.07147	1.7
181.05182	0.5
235.20566	0.5
282.36984	0.5
303.23306	2.4
304.33063	0.4
305.14087	0.6
315.22992	0.6
357.20590	0.5
358.24796	0.6
361.23871	1.9
373.27499	1.2
375.25497	0.9
385.23413	0.8
385.27814	0.9
401.30753	2.6
402.31076	0.5
403.24850	13.5
404.25204	2.7
430.30948	1.1
445.26053	12.5
445.33319	45.5
446.26242	1.5
446.34283	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	445.2961
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.01862	0.7
57.03445	1.8
60.38671	0.5
61.98834	8.7
66.06924	0.5
69.38678	0.7
69.76804	3.6
79.01907	0.7
81.03448	0.7
87.04523	0.7
98.20660	0.6
99.08162	4.4
107.05000	0.7
121.06575	1.1
123.08173	9.9
135.04512	0.7
149.06094	1.1
163.07690	1.3
164.08415	0.8
167.07147	14.5
179.03476	0.8
180.04234	0.5
193.05063	2.4
221.08252	0.8
259.20746	0.9
287.20160	0.6
287.23749	1.3
302.95728	0.6
311.23972	0.9
314.22296	0.6
329.24890	9.9
330.25125	1.2
338.86526	0.5
373.23895	2.0
381.96564	0.6
383.22336	3.2
401.30688	1.0
427.28937	0.7
445.29642	100.0
446.29996	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2961
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
53.10204	1.2
63.03695	1.2
72.81440	1.2
79.01916	1.7
85.02972	3.6
97.02991	1.5
107.05042	2.6
109.03044	1.5
109.06628	3.6
111.04523	2.7
123.04565	5.7
123.08206	2.6
125.02467	1.9
139.07681	2.9
149.20671	1.5
151.04024	3.1
153.05605	2.3
162.84065	1.7
183.06664	2.0
186.92767	1.4
194.05786	1.5
262.80872	1.5
272.37961	1.9
277.21805	4.1
303.23419	2.3
315.27072	2.4
350.09338	1.4
369.27997	2.7
385.27844	7.9
387.25519	1.9
401.23453	4.7
401.30615	16.9
402.31332	2.2
403.25156	1.3
427.24908	5.4
445.29788	100.0
446.30096	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	445.2961
Annotation	CHEBI:68043
Peak:m/z	Relative Intensity
55.01881	2.5
57.03449	6.5
59.01381	17.1
61.98838	5.8
68.99825	3.2
69.03471	2.3
69.79158	3.7
69.79574	6.1
71.05029	1.9
83.01399	2.5
85.02951	15.1
85.06599	6.0
87.00890	2.6
95.01366	2.9
95.05034	6.0
97.02965	7.2
97.06601	6.1
99.04504	3.0
107.05006	1.8
108.02192	4.9
109.02969	2.9
111.00915	1.7
111.04523	2.7
111.08174	4.5
111.91178	1.4
113.02457	6.2
113.06119	12.1
122.03826	2.8
123.00862	2.2
123.04523	2.8
123.08165	4.9
124.05369	2.9
125.02470	3.3
125.06099	5.7
136.05260	2.8
137.02518	2.5
137.06114	4.5
138.03310	2.2
139.07637	1.8
141.01959	31.7
141.05597	36.7
149.06082	29.6
152.04790	2.0
153.99951	1.6
163.11302	4.6
165.05569	7.0
166.06352	5.7
167.03510	3.9
167.07152	4.8
173.72925	1.8
179.07156	2.2
181.05078	9.7
183.06619	3.4
191.03505	3.4
192.07956	2.2
197.48288	1.8
203.07158	4.5
212.86061	1.7
218.09515	5.0
223.16582	1.7
261.22372	2.6
279.23428	5.7
303.23370	21.8
304.23740	3.3
331.26395	1.9
340.83755	1.7
345.24368	2.7
359.29483	3.9
373.23822	2.4
375.25534	7.0
385.23584	4.1
385.27908	12.2
386.28149	7.2
387.25327	6.4
399.29074	6.9
400.29166	2.2
401.30646	16.9
402.31067	2.8
403.24677	62.6
404.24957	10.8
445.25189	40.8
445.30087	100.0
446.25723	8.4
446.30585	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	445.2959
Annotation	CHEBI:68043
Peak:m/z	Relative Intensity
55.01883	1.3
57.03444	2.8
58.83895	1.1
59.01383	8.1
79.01920	1.9
79.05573	0.9
81.03462	1.2
81.18059	0.9
83.01402	0.9
85.02951	18.7
85.06599	5.2
93.07087	0.9
95.01422	1.4
95.05016	6.2
97.02975	1.1
97.06596	5.6
98.19859	2.6
99.04529	2.7
108.02187	2.4
111.08145	2.1
113.02441	1.4
113.06088	8.9
122.03761	1.1
123.04519	10.0
124.05332	1.9
125.02462	4.5
125.06089	1.4
130.12013	1.2
137.02469	1.3
137.06010	1.6
138.03262	1.2
139.07677	2.0
141.05586	25.9
163.04008	1.3
165.05583	3.8
166.06316	3.6
167.03528	2.9
178.06319	1.1
179.07129	1.3
181.05092	5.3
191.03537	1.5
192.07941	1.4
208.47910	1.1
226.51653	1.1
246.97787	1.2
257.46185	1.0
261.22345	1.7
267.84201	1.0
272.47574	1.2
279.04327	1.0
279.23215	3.0
301.21609	2.0
303.23257	7.1
331.26639	1.6
341.24872	2.4
345.24377	4.1
359.29840	2.0
375.25406	1.8
383.25943	14.1
384.26395	2.8
384.68427	1.0
385.23508	18.1
385.27740	6.0
386.23923	2.1
386.28287	4.8
387.25458	3.2
399.29251	4.5
401.30786	10.1
402.31070	1.7
403.28738	6.3
404.28574	1.5
427.24789	3.0
445.29700	100.0
446.29944	17.9
446.35562	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	445.2596
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
51.52991	0.9
55.01892	1.3
57.03448	3.5
59.01377	6.3
69.03459	1.7
69.61199	5.0
69.61611	1.8
71.01383	0.9
73.02950	3.2
79.01898	2.3
81.03477	1.9
83.01379	1.4
83.05035	1.2
85.02956	100.0
86.03291	2.0
87.00880	28.7
95.01405	1.1
95.05073	1.2
97.02971	1.3
99.04513	6.3
101.02425	0.9
111.00880	8.0
111.04518	1.9
113.02448	2.3
115.04024	4.2
123.04534	5.1
124.01668	2.7
125.02460	11.2
126.02782	1.0
134.02266	0.9
138.03218	3.0
139.04015	2.7
143.03491	7.0
151.00395	2.3
153.05502	1.7
166.02805	1.1
167.03488	13.1
172.35883	1.0
183.73239	1.1
185.04622	4.5
186.99931	1.1
206.58884	0.9
248.03038	1.0
251.83725	0.9
277.21790	3.0
301.21664	5.3
303.23392	1.7
345.24319	37.3
346.24701	5.5
367.22803	2.3
385.23816	38.2
386.24026	6.1
406.75293	0.9
427.24814	4.5
445.25946	83.3
446.26297	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	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03366	1.9
55.01867	5.3
57.03432	7.9
59.01365	4.8
64.67793	2.0
67.17961	1.8
70.92419	5.0
71.05023	4.1
73.12234	1.9
79.01886	13.5
81.40453	2.2
82.19770	2.1
85.02953	88.0
85.06567	3.5
87.00868	4.7
95.01385	2.1
95.05031	12.8
97.02952	3.7
97.06596	3.5
99.04526	10.7
108.02187	2.0
110.65038	2.1
111.00890	2.4
113.06087	3.5
116.98982	2.4
122.03822	2.7
123.04534	43.4
125.02448	24.5
135.04465	3.3
136.05302	3.0
136.69328	2.1
138.03209	9.5
139.03978	2.8
141.01898	4.6
141.05583	17.4
151.00378	9.2
165.01913	2.4
165.09148	2.9
166.02681	3.1
167.03503	7.4
167.07137	6.2
170.02104	3.3
179.03429	2.3
186.89355	2.0
192.07907	2.9
209.08235	3.9
219.93179	2.4
301.21817	11.5
302.21841	2.8
303.23215	3.7
331.26608	7.5
341.24960	12.0
345.24435	11.7
346.24548	2.9
355.26370	2.8
371.77509	2.1
383.25949	66.6
384.26236	6.5
385.23819	100.0
386.24149	17.2
403.24554	11.9
404.25055	2.7
427.24719	11.7
428.25372	9.2
445.30527	23.5
446.30377	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	445.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03450	1.6
62.16698	0.5
62.61320	0.5
69.71052	1.6
69.71463	1.9
70.24152	0.5
71.05038	1.2
73.02954	1.6
74.80646	0.5
79.01913	2.6
80.37820	0.7
85.06596	8.9
85.07088	0.6
91.05553	0.5
93.03488	0.6
97.02979	2.8
107.05054	1.2
109.06602	9.7
110.06887	0.7
111.04526	8.1
111.08186	0.8
135.04558	2.5
151.04042	1.5
152.04787	0.7
153.05588	74.1
154.05937	3.3
163.63406	0.5
179.03479	3.5
180.04285	4.7
193.05093	0.8
194.05870	3.0
207.06627	2.8
221.08212	0.7
226.37245	0.6
249.11319	1.5
301.21805	1.4
317.17651	0.8
327.23477	2.7
371.22354	3.5
401.23276	0.8
427.25052	4.8
428.25412	1.0
445.25970	100.0
446.26300	16.6
462.70172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2599
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
55.01881	1.7
56.55175	0.5
57.03453	1.8
70.13850	1.5
70.14261	1.4
71.05032	0.9
73.02949	1.5
79.01895	3.5
81.22869	0.5
85.06597	12.3
91.05534	0.7
91.87294	0.5
97.02980	3.0
97.06606	1.2
101.47144	0.5
109.06599	12.1
111.04530	9.2
111.08215	0.7
123.04543	0.6
135.04512	3.0
136.05263	0.7
138.03220	0.6
149.06183	0.7
151.04018	0.8
152.04865	0.7
153.05591	76.8
154.05936	3.6
165.01990	0.7
179.03542	3.2
180.04271	4.3
183.34396	0.5
189.93507	0.5
193.05096	0.9
194.05919	2.7
207.06633	2.1
208.07408	0.8
209.28899	0.7
249.11307	0.9
301.21823	1.4
327.23322	4.5
371.22296	5.0
381.97653	0.5
383.21967	0.9
401.23294	0.8
427.24893	5.3
428.25345	0.6
445.25977	100.0
446.26367	18.4
450.36722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2597
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
55.01862	1.8
57.03449	3.6
59.01376	5.7
64.00463	0.7
66.64035	0.6
69.03441	1.0
70.36613	2.3
70.36951	0.6
71.01360	0.7
73.02956	3.1
78.20270	0.8
79.01903	2.5
81.03468	1.0
83.01393	3.0
85.02958	100.0
86.03297	2.5
87.00882	30.9
87.04527	1.7
95.05029	1.0
97.02956	2.4
99.04516	4.3
101.02509	0.9
105.26757	0.8
111.00889	7.5
111.04554	0.7
113.02442	0.8
115.04020	3.5
123.00826	0.9
123.04554	5.0
124.01694	0.8
125.02448	8.0
138.03249	2.4
139.04015	1.9
141.05608	1.0
143.03497	6.6
151.00362	1.5
153.05623	4.9
166.02736	1.2
167.03526	13.3
170.67381	0.9
185.04591	2.1
195.12180	0.7
255.32405	0.8
277.21771	2.4
296.72583	0.8
301.21674	3.9
303.23318	2.0
342.46628	0.8
345.24341	45.2
346.24719	7.3
357.24240	1.1
359.25769	0.8
367.22717	0.9
385.23840	25.4
386.24023	4.1
396.97461	0.8
427.24747	4.4
428.25504	0.8
445.25958	61.4
446.26260	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	445.2601
Annotation	CJ 13103
Peak:m/z	Relative Intensity
57.03445	1.3
59.01376	1.2
59.95530	0.4
69.03458	0.6
69.74766	3.2
71.04632	0.7
71.05027	13.4
81.03476	1.2
81.34649	0.5
83.01373	0.7
83.05039	1.7
85.02964	2.7
85.06572	0.6
93.03519	0.5
95.01399	0.6
95.05057	0.6
97.02962	1.0
97.06599	1.0
99.04529	3.4
107.05023	1.7
109.02978	4.7
111.04550	3.3
113.02425	0.8
122.45043	0.5
123.04556	4.0
125.02443	1.0
125.06094	2.6
127.04039	8.0
137.02463	1.0
149.02457	1.2
149.06107	0.6
150.03197	0.6
151.04013	4.3
152.04762	2.2
153.01956	0.8
153.05577	2.7
154.02783	0.6
158.96614	0.5
161.06046	0.6
163.04030	0.5
164.04797	1.3
165.05600	1.0
167.03484	1.8
169.05051	0.9
177.01956	1.0
178.02713	2.1
182.02100	0.8
191.14116	0.4
192.04219	0.7
193.05077	1.2
195.87108	0.5
205.05043	1.4
207.17429	0.6
261.11218	0.7
278.85287	0.5
284.52560	0.5
293.21231	0.8
315.16061	0.9
317.21448	0.6
345.24527	0.7
357.24417	0.7
359.18430	1.2
359.25815	0.8
383.25946	1.5
385.23926	5.3
386.24484	1.4
389.23401	5.2
398.41977	0.5
399.25464	4.9
400.25629	0.9
401.26892	2.3
403.24759	2.4
417.26245	0.6
427.24933	22.7
428.25116	4.5
430.23758	1.0
445.25964	100.0
446.26340	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01660	0.8
57.03442	3.1
57.39738	0.9
59.01385	100.0
60.01703	1.5
61.98834	2.1
64.35384	0.9
69.55923	4.8
69.56336	1.3
71.01389	7.9
73.02953	2.3
75.00880	1.2
83.01375	1.4
85.02959	3.4
87.00864	1.0
89.02446	2.7
91.31803	0.8
93.03462	10.5
95.01419	1.5
96.95990	1.9
97.02895	1.1
97.06583	0.9
98.19880	1.8
99.00875	1.2
101.02455	6.5
108.08175	1.1
109.06623	1.0
111.00919	1.2
113.02441	3.3
116.66764	0.8
117.03468	1.0
119.05035	94.8
120.05365	3.9
121.02975	2.3
123.00880	2.9
123.04553	2.3
125.02464	3.6
136.01692	1.2
137.02467	20.1
140.01091	1.2
145.02972	2.1
147.04451	1.0
149.12593	0.8
151.00351	6.3
151.11337	1.2
153.09200	1.3
159.02985	1.0
161.04559	7.9
163.00357	1.2
163.04021	41.4
164.04352	2.5
165.63240	0.9
169.01457	4.1
178.99837	1.1
179.10791	34.4
180.11121	1.4
187.11256	2.4
203.10814	1.1
205.12346	28.3
206.12721	1.8
223.13480	5.5
226.50972	0.9
243.02982	1.6
243.41124	1.0
247.20346	1.0
254.64203	0.9
255.02911	3.7
271.02417	7.2
271.64114	1.1
272.03003	1.1
281.06674	32.2
282.07272	1.7
283.02164	1.1
300.02783	9.5
301.03525	14.7
302.03793	1.8
341.16006	4.0
342.16162	1.2
445.11292	26.7
445.17191	14.6
446.11630	4.5
446.17517	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	445.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49860	0.4
55.01883	0.7
56.40115	0.4
57.03448	1.2
59.01380	1.4
71.05033	3.0
71.63267	0.5
73.02925	0.4
79.01891	1.0
81.03459	0.9
83.05033	1.6
85.02957	1.2
85.06593	3.3
95.01366	0.8
97.02962	1.2
97.06596	0.5
99.04542	2.2
107.05041	0.7
109.02962	1.1
109.06570	2.4
111.04536	4.3
113.02374	0.5
118.84872	0.4
121.06622	0.4
123.04532	1.3
124.01675	0.6
125.02460	1.5
125.06130	0.5
127.04047	3.6
127.88105	0.4
132.26382	0.4
135.04556	1.2
135.08298	0.4
139.04053	1.9
151.04025	1.8
152.04781	3.2
153.05586	26.7
154.05867	1.2
165.01955	2.4
165.05562	0.7
166.02794	0.6
166.06252	0.4
167.03545	1.1
167.07184	0.4
177.09160	0.5
179.03503	5.8
180.04282	14.6
181.04597	0.6
183.55756	0.5
193.05124	2.1
194.05833	5.8
195.06334	0.6
205.12297	0.6
207.06622	7.0
208.07277	1.3
209.11844	0.6
212.03276	1.5
219.13884	0.7
219.17612	0.6
221.08223	2.2
235.09766	1.2
236.10498	0.9
247.09857	0.4
249.11302	3.2
263.12885	5.4
264.13605	2.6
273.18625	0.5
275.20367	0.9
277.14282	0.4
303.16196	0.5
317.17487	0.7
318.18332	4.1
319.19043	1.9
338.08017	0.4
345.24341	0.7
357.24805	0.5
385.23685	1.2
389.23694	0.7
399.25308	0.7
401.22937	2.7
401.27762	0.5
402.23651	0.7
421.98843	0.4
427.25113	0.8
445.26041	100.0
446.26434	15.3
446.32791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2596
Annotation	CJ 13103
Peak:m/z	Relative Intensity
53.46489	0.4
55.01889	1.1
57.03434	1.7
59.01368	0.6
69.49416	3.7
71.05007	0.7
79.01901	2.3
80.11671	0.4
83.01363	0.5
83.05035	0.6
84.87031	0.4
85.02962	1.1
85.06600	5.1
93.03456	3.6
96.79207	0.5
97.02945	1.9
98.20651	0.9
98.38582	0.5
107.05044	0.6
108.02180	0.5
108.35365	0.5
109.02967	0.8
109.06602	6.6
111.04530	5.5
115.10953	0.5
125.02503	0.6
135.04523	1.8
139.03998	1.1
151.04010	1.3
152.04759	1.0
153.05582	39.5
154.05939	1.6
165.01952	1.0
179.03532	4.0
180.04289	7.3
193.05074	0.9
194.05910	2.9
199.81798	0.6
207.06680	3.5
212.03299	0.9
249.11295	1.8
258.41888	0.5
263.12842	1.7
264.13727	1.3
264.60040	0.5
289.21762	1.3
318.18430	1.1
319.19110	1.0
333.20801	1.1
383.26093	0.9
401.27090	0.9
427.24911	0.9
430.93967	0.5
431.66306	0.5
445.25967	100.0
446.26263	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.20125	0.4
58.00605	0.6
59.01381	100.0
60.01720	1.5
69.71591	0.9
69.71996	1.6
70.45570	0.4
71.01384	8.5
72.99328	0.6
73.02956	1.3
83.01408	0.7
83.05086	0.4
85.02971	1.7
85.46463	0.3
87.00887	1.4
89.02443	10.2
95.01404	0.7
96.96033	0.7
98.20606	0.6
101.02448	5.7
113.02452	4.1
119.03522	5.5
123.00924	1.1
125.02454	1.0
139.00479	0.5
143.03537	1.7
149.04562	0.5
151.00433	0.6
161.04578	2.5
169.01414	1.2
178.02763	0.4
179.05611	3.4
183.11533	0.4
187.11287	3.1
190.09990	0.6
196.03908	0.7
204.11594	0.6
205.12357	3.5
209.11827	5.6
223.13313	0.6
233.11780	2.0
253.09491	0.8
259.13336	0.7
277.14529	1.6
283.05930	0.4
385.18753	2.2
445.17154	4.4
446.17392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05328	0.5
59.01385	100.0
60.01731	1.5
61.98833	1.8
69.39696	5.1
71.01389	12.8
72.99329	0.6
73.02962	1.1
81.21950	0.5
85.02940	2.7
87.00897	1.2
87.35015	0.5
89.02454	16.9
89.02995	0.8
95.01411	0.9
96.96028	0.8
98.19889	0.9
99.16986	0.6
101.02448	7.5
112.29894	0.6
113.02458	5.8
117.05583	0.9
119.03516	7.8
123.00864	1.1
125.02474	1.3
126.68573	0.6
135.04538	0.7
136.99178	0.7
139.03094	0.6
139.04076	2.0
143.03532	1.9
153.09129	0.6
161.04543	3.1
169.01463	1.8
179.05624	3.5
182.41011	0.6
187.11282	0.8
205.12434	1.7
209.11844	5.0
223.13458	0.5
377.10483	0.6
385.18900	2.9
445.03922	0.7
445.16782	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.9
59.01384	76.4
60.01706	1.4
61.58916	1.2
62.13432	1.3
62.16362	1.1
66.05540	1.2
67.37632	1.2
69.68102	7.9
71.01397	12.1
73.02934	3.5
85.02953	3.7
85.06576	1.3
89.02441	6.9
97.06576	2.5
101.02457	9.7
108.78690	1.1
109.06593	3.9
112.08170	1.3
113.02432	3.5
119.03518	2.6
123.04521	5.2
123.08184	2.0
125.02413	1.4
131.07101	2.0
131.92393	1.2
135.08147	2.1
147.08113	5.9
149.09695	1.9
151.11263	4.4
153.09175	2.8
159.03038	2.3
161.04575	23.4
161.09662	2.1
163.11302	1.9
177.12794	1.5
179.10786	100.0
180.11121	5.5
187.11308	9.4
188.11601	1.5
190.10001	2.5
203.10747	3.2
205.12344	98.8
206.12679	9.1
223.13411	13.7
254.82639	1.2
270.98871	2.0
293.12390	5.1
298.98413	3.2
341.16000	4.5
390.24036	1.8
433.00259	1.3
439.52637	1.4
445.13501	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	445.1872
Annotation	Maoesin D
Peak:m/z	Relative Intensity
50.39083	0.3
57.03448	0.3
59.01384	100.0
60.01715	1.0
61.67083	0.3
61.98842	0.6
71.01372	0.8
78.95917	2.4
85.02959	0.6
89.02451	0.4
93.03446	0.7
98.19913	0.8
98.65305	0.3
101.02438	0.5
109.02970	0.6
113.02463	0.4
121.02965	6.4
122.03723	1.2
123.04497	1.0
125.02459	2.1
125.09734	0.3
134.03717	0.3
135.04564	0.5
136.05299	0.5
146.03723	0.3
147.04539	1.8
151.00288	0.3
152.99599	4.6
159.04532	0.8
161.04539	0.3
161.06067	0.6
165.05568	0.6
165.12862	0.7
171.00703	0.4
173.06055	1.0
174.06828	1.3
191.07152	0.6
192.07918	0.4
209.11852	1.6
227.12976	0.3
249.11263	0.7
310.12097	0.7
325.14398	1.5
328.13211	2.4
343.15515	3.3
344.15826	0.5
361.16580	0.8
370.14310	0.6
385.16568	8.5
386.16846	1.4
403.17606	2.2
414.30450	0.4
430.16647	1.5
445.18582	21.3
446.18887	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	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44315	1.3
57.03457	6.5
59.01382	80.9
60.01693	1.3
69.48026	8.7
70.97572	1.0
71.01383	21.6
73.02927	4.2
75.13722	1.2
83.01377	1.5
85.02926	5.1
85.06596	11.7
87.00854	2.1
89.01912	1.6
89.02448	22.5
95.01366	2.0
95.51917	1.1
99.00893	1.6
101.02457	16.3
106.99197	1.2
107.01366	3.8
108.88783	1.2
109.06559	2.2
113.02443	11.0
113.06058	5.3
119.03534	8.9
120.19848	1.2
123.00876	4.4
123.04506	3.5
123.08115	1.8
125.02450	14.2
127.07645	2.4
131.07143	57.0
132.07515	2.5
139.00308	1.9
140.01123	2.4
143.03517	1.6
147.08107	3.8
149.09642	2.7
151.00357	2.7
151.11241	2.6
153.09183	1.3
159.02969	1.4
161.04544	16.0
161.09691	2.2
163.11247	2.0
168.00572	3.8
169.01436	18.6
170.01732	1.4
173.08098	2.7
175.11234	1.6
177.12788	2.0
179.05635	1.7
179.10773	68.8
180.11075	5.0
187.11238	5.1
189.09225	1.7
203.10789	2.3
205.12335	63.1
206.12604	4.5
211.02460	8.9
223.13402	8.1
242.99196	1.5
270.98795	4.1
271.04611	7.5
272.04968	1.4
293.12430	84.8
294.12616	5.0
298.98233	4.9
299.98923	3.3
313.05753	2.2
341.15982	3.0
367.17358	1.2
414.47406	1.3
445.13300	100.0
446.13605	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.6
58.00572	1.5
58.89426	0.9
59.01383	47.0
63.18384	0.9
70.24660	0.7
71.01385	19.0
72.99324	1.4
73.02964	1.4
83.01405	1.3
85.02940	3.5
85.06593	11.3
86.06931	0.8
87.00861	1.1
89.02451	26.1
95.01325	1.8
99.00858	1.0
101.02459	14.0
106.25370	1.1
107.01392	4.2
109.91359	0.8
111.00899	0.9
113.02467	9.1
113.06083	2.8
115.07663	1.2
119.03505	11.3
123.00886	2.3
124.85907	0.8
125.02461	15.7
127.07632	1.4
128.96155	0.8
131.03516	1.3
131.07146	62.1
132.07472	2.0
139.00394	0.9
143.03528	1.3
149.04543	1.3
151.00307	1.5
152.04744	0.9
161.04552	3.0
167.07158	0.9
168.00652	2.4
169.01416	19.3
170.01700	1.2
173.08189	1.9
178.73624	0.9
179.05602	3.0
211.02490	9.2
271.04590	9.6
293.12436	79.9
294.12750	7.4
296.59113	0.8
313.05597	3.6
331.06799	1.0
341.15985	6.9
367.17422	4.2
445.13470	100.0
446.13699	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	445.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52107	0.5
55.01875	0.9
57.03439	0.9
58.00579	0.6
59.01385	11.2
61.98825	1.9
66.97543	0.5
71.01389	11.1
72.51736	0.5
72.99299	1.1
73.02962	4.1
77.14664	0.5
79.01913	0.9
79.84481	0.5
81.03467	0.6
83.01391	1.2
83.05032	0.8
85.02950	4.8
87.00902	0.8
89.02460	5.4
89.46931	0.5
93.02917	0.9
93.03469	11.0
95.01392	0.9
95.05016	0.5
96.96004	0.9
97.02948	0.9
99.00871	2.0
101.02454	6.8
112.76904	0.5
113.02465	4.0
117.03467	2.3
117.05598	0.7
119.03498	1.3
119.05005	2.2
121.02930	0.7
125.02445	1.7
131.03436	1.1
135.04536	1.6
137.02455	21.0
138.02823	1.0
141.01910	0.6
145.02965	8.1
153.01949	0.7
153.09171	0.7
159.03023	0.7
161.02435	0.6
161.04584	4.4
161.05914	0.9
163.03973	2.7
165.09206	0.6
179.03493	1.9
197.05977	0.6
205.05052	1.5
209.11771	0.8
211.07623	1.2
225.05602	1.5
227.96161	0.5
239.07065	1.7
241.05077	12.8
241.26245	0.5
242.05455	1.3
243.03178	0.6
243.06273	0.5
246.85475	0.6
249.29398	0.5
255.06644	80.6
255.56427	0.6
256.07016	7.3
267.06592	2.6
269.04562	11.1
270.05109	1.9
271.99719	0.8
283.06125	51.9
284.06766	10.1
285.07251	0.8
298.04883	4.1
298.98224	0.7
299.02237	1.0
299.05560	7.4
312.06421	66.9
313.07040	19.8
313.16556	4.6
314.07471	0.8
314.17010	0.6
316.05795	0.9
341.06845	0.6
369.06195	1.3
385.18484	0.8
401.08847	3.5
425.96490	0.7
445.11465	100.0
445.20154	9.2
446.11844	13.3
446.21060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64694	0.4
55.01886	0.9
59.01381	5.6
67.01901	0.9
69.03481	0.4
69.48744	3.0
71.01385	7.2
72.99315	0.6
73.02950	7.1
75.00870	1.0
76.13995	0.4
79.01893	0.7
83.01380	1.6
85.02936	3.0
87.00888	1.2
89.02457	1.7
95.01401	1.2
96.96034	1.2
99.00867	0.9
101.02461	3.5
103.00370	1.3
103.04013	1.6
104.03558	1.6
107.01391	6.5
109.02971	0.7
111.00877	1.0
113.02441	2.8
116.65829	0.5
119.03463	0.4
123.00892	14.6
125.02453	28.1
126.02792	1.3
131.03523	4.5
136.98793	0.8
137.02412	0.5
139.00389	3.8
140.01187	2.1
141.01936	1.8
151.00388	9.8
161.04501	0.6
167.03421	0.5
168.00653	3.0
169.01433	41.4
170.01781	1.7
179.03584	0.4
205.86174	0.5
211.02457	4.0
223.02408	0.6
241.03535	0.6
253.03502	0.7
271.04654	3.3
293.08826	0.6
313.05667	9.0
314.05911	0.9
322.90262	0.4
387.09341	4.3
399.09280	1.7
417.10275	0.6
445.09836	100.0
446.10181	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	445.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03452	0.5
59.01137	0.5
59.01385	6.1
67.01894	1.1
69.03458	0.6
69.42260	1.7
69.42679	1.3
71.01387	6.8
72.99287	0.5
73.02952	8.2
79.01917	0.8
81.03445	0.5
83.01381	1.3
85.02969	3.7
87.00887	1.1
89.02450	1.5
95.01393	2.4
96.89744	0.4
96.93626	0.3
97.02956	0.5
98.19917	0.7
99.00860	0.7
100.85727	0.4
101.02454	4.2
103.04015	1.5
107.01405	6.8
111.00902	1.4
113.02438	3.0
119.03489	0.5
123.00896	14.3
124.01758	0.7
125.02459	29.3
126.02778	1.1
127.00401	0.6
131.03503	5.0
136.98810	1.1
137.02464	0.4
139.00371	4.2
140.01173	2.7
141.01944	1.7
151.00383	9.7
151.10403	0.4
163.04036	0.4
165.01901	0.5
168.00650	3.0
169.01439	41.9
170.01782	1.7
179.03511	0.5
211.02434	3.8
223.02570	0.7
241.03426	0.6
253.03622	1.0
271.04608	2.9
313.05740	9.0
314.06104	0.7
346.46390	0.4
387.09390	4.0
399.09219	2.7
417.10611	0.9
426.19778	0.4
445.09875	100.0
446.10233	9.6
460.46558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25053	0.2
54.93261	0.2
59.01384	4.8
61.98818	0.4
69.19102	0.2
71.01388	1.5
72.04120	0.2
73.02940	0.7
77.03957	0.3
79.01884	0.7
81.03435	0.3
83.01353	0.3
85.02944	0.5
89.02410	0.9
93.03452	0.4
95.01385	0.5
97.02946	0.4
99.01524	0.2
101.02436	1.2
108.02155	0.6
109.02947	0.3
113.02451	0.6
117.03457	3.6
119.04988	0.6
121.02964	1.5
123.00914	2.2
126.67483	0.2
134.03661	0.3
135.00874	1.3
136.01639	0.5
137.02423	0.9
138.03209	1.0
139.04024	0.4
145.02956	2.7
148.01704	0.4
149.04625	0.2
151.00348	0.7
153.09196	0.4
161.02458	2.4
161.04535	0.5
162.03062	0.3
163.00392	1.1
163.04031	1.2
164.01103	0.5
165.01952	2.2
174.16144	0.2
178.99883	0.3
179.03462	0.4
179.05383	0.2
185.02393	0.6
185.06036	0.7
186.03229	1.1
186.06798	0.3
189.01865	0.2
197.06007	0.5
198.06937	0.4
209.06091	0.8
210.06853	0.4
211.04016	0.8
211.07524	0.3
213.01891	0.3
213.05486	0.9
215.07242	0.2
223.04004	0.5
225.05534	1.3
226.06306	0.7
227.03468	0.4
237.05615	0.6
238.06346	0.7
239.03436	1.2
239.07182	0.3
243.02965	0.3
253.05035	5.2
254.05803	2.5
255.03021	1.1
266.02356	0.3
271.02524	1.7
272.02948	0.3
281.04559	14.4
282.05341	100.0
283.06027	33.0
284.06458	2.7
295.06241	0.3
297.07751	0.8
300.02805	2.2
301.03546	4.4
314.04333	0.4
316.23557	0.3
325.07086	0.9
385.14639	0.4
385.18796	0.7
445.11456	77.6
446.05579	0.5
446.11783	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	445.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46910	0.5
59.01391	9.2
61.98787	1.9
61.99081	0.5
69.30793	3.0
69.31220	2.0
71.01390	3.6
73.02908	1.5
75.00848	0.6
79.01879	0.9
83.04997	0.6
85.02957	1.2
87.00826	0.6
87.04524	0.6
89.02456	2.9
93.03432	1.0
95.01331	0.6
96.95982	0.8
101.02469	2.5
106.15737	0.5
111.04475	1.0
113.02389	1.8
122.03755	1.0
123.04550	0.7
125.02409	1.7
132.02127	0.7
133.02913	1.4
135.04535	2.8
145.02927	0.7
149.04572	0.7
153.09167	0.8
161.02414	1.9
161.04607	1.4
163.03984	1.2
163.11293	0.7
165.09259	0.7
167.03578	0.8
169.01424	0.5
172.01569	0.8
175.03941	0.8
179.03490	2.0
181.12418	2.6
189.01952	0.6
202.99825	1.0
209.11839	3.2
211.07660	1.4
216.00560	1.7
217.01234	0.7
223.13303	1.1
225.05602	1.6
225.11401	1.2
227.07323	0.6
229.01425	0.6
239.07132	2.0
240.04327	1.1
240.07710	0.8
241.05089	10.8
242.05441	1.2
244.00110	3.0
245.00790	1.7
246.98885	4.4
253.05270	0.6
253.09268	0.6
254.05797	0.9
255.06656	100.0
256.06989	9.4
267.06650	3.2
269.04605	9.9
270.04990	1.6
271.99661	0.9
273.00397	1.1
283.06155	66.4
284.06760	12.7
285.07584	0.9
286.49594	0.5
297.07745	0.9
299.05679	1.5
312.06433	69.9
313.07147	48.8
314.07550	4.9
316.05945	0.9
325.07285	0.7
327.21841	0.6
329.10443	0.9
341.06595	0.6
355.08096	0.9
357.09842	1.6
363.54498	0.5
369.06223	2.5
370.06506	0.6
401.08810	6.7
402.09183	1.9
413.04880	0.6
445.11575	95.0
445.20151	4.7
446.12006	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	445.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
59.01381	14.4
59.96305	0.8
60.01731	1.2
61.01794	1.1
67.01874	1.0
69.03454	1.3
69.96410	4.2
71.01386	14.8
72.01715	1.4
72.99313	1.3
73.02948	2.6
74.99072	1.0
75.00880	3.5
79.01897	1.4
83.01423	1.2
85.02951	4.7
89.02438	4.7
95.01385	2.8
96.96026	3.9
97.02963	2.1
101.02463	6.1
101.68903	0.9
102.02837	0.9
107.01388	10.7
111.00883	1.9
113.02460	12.4
119.03509	1.3
123.00900	13.4
125.02457	61.9
125.38093	0.9
126.02737	1.4
127.00357	0.9
133.03029	0.8
136.98949	1.9
139.00391	5.8
139.04031	2.6
140.01138	4.5
141.01955	2.5
151.00366	10.7
153.01921	1.0
153.06219	0.8
157.98865	0.8
161.02423	2.1
167.03601	1.0
168.00645	6.4
169.01439	100.0
170.01765	4.0
175.04176	0.9
205.01167	0.9
211.02492	9.6
212.02719	0.9
237.06215	1.8
241.03574	3.2
271.04608	14.3
293.08777	1.3
297.06219	1.0
300.11035	0.9
307.08569	2.7
313.05682	41.3
313.09317	2.1
314.06012	3.4
371.06281	1.3
383.09644	3.7
389.06912	0.9
401.10672	1.6
427.08786	92.2
428.09180	10.5
444.19528	3.5
445.09451	24.1
445.19415	17.3
446.10211	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	445.078
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
50.47330	0.5
57.03440	0.7
59.01384	11.4
61.98838	2.8
63.56356	0.6
68.28695	0.5
71.01392	7.8
71.05002	1.7
71.61489	0.9
73.02946	2.0
74.99100	2.0
83.01404	0.8
85.02954	2.7
87.00864	0.7
89.02459	6.6
91.01871	0.7
95.01397	0.6
96.96008	1.0
99.00900	1.6
99.04536	1.7
101.02467	2.9
113.02472	1.5
117.03494	0.9
117.05588	5.6
119.03484	1.4
119.05024	0.7
121.10238	0.7
123.00871	1.0
123.24803	0.5
125.02464	2.3
131.03514	0.9
135.04532	0.7
136.99150	1.8
137.06097	0.7
140.58786	0.5
145.02937	2.6
149.04553	2.1
153.09222	1.0
161.02461	2.0
161.04541	1.2
163.00380	1.7
169.01477	1.2
171.04524	1.3
171.09398	0.9
173.06168	0.7
176.01170	0.7
179.03508	0.7
179.05635	0.8
182.03784	0.6
183.04474	0.6
183.10266	3.6
185.02521	0.5
187.00430	2.7
197.02457	1.9
198.03157	0.6
199.03961	1.1
201.05652	0.6
202.99889	0.7
209.00987	0.6
209.11911	1.3
211.03979	1.8
212.04578	0.6
214.02774	1.2
215.03400	0.9
216.00632	1.9
216.04402	0.6
217.01538	0.7
223.13469	1.3
224.04948	0.8
225.01974	2.9
225.05617	2.1
225.11290	1.5
226.02693	1.1
226.06253	0.9
227.03415	3.5
227.23311	0.6
228.04065	0.7
229.01357	1.2
229.05098	1.3
230.02226	0.6
239.03569	1.8
240.04211	2.2
241.01408	1.1
241.05011	2.0
241.08719	1.3
242.02237	6.3
242.05821	0.9
242.99347	2.2
243.02882	2.3
244.00073	2.4
245.00835	0.6
251.03583	0.6
251.07033	0.6
253.01430	3.1
253.05058	2.2
253.08769	0.9
254.02220	0.7
254.05869	2.0
255.03003	3.9
256.03702	1.4
257.00964	0.8
257.04654	0.7
259.99677	1.3
267.03003	2.0
267.06778	1.0
268.03735	3.0
268.07016	0.7
269.00925	6.1
269.04068	0.9
269.08298	2.6
270.01569	1.7
270.05310	2.3
270.98849	4.8
271.02438	1.7
271.06079	1.7
271.99686	1.3
272.03186	1.3
273.04120	2.5
279.10843	0.7
281.04535	1.5
282.01816	0.6
282.05389	2.8
283.02429	1.9
283.05746	1.0
283.10925	1.3
284.03342	0.8
285.04163	0.9
285.07553	1.4
287.05444	0.6
295.02509	1.1
295.05896	0.6
296.03329	1.3
297.00415	5.3
297.04050	6.1
297.07693	3.1
298.00986	1.7
298.04733	4.0
299.01974	3.8
299.05627	2.0
300.02600	1.3
301.03574	1.2
307.15585	0.7
311.01938	1.3
312.02798	2.7
312.06165	0.6
313.03555	1.1
313.07126	1.9
314.98059	0.7
323.05591	1.2
325.03537	8.2
325.07245	3.0
326.04315	3.3
326.07663	0.8
329.06741	4.7
329.10315	0.9
340.02286	2.0
341.06677	6.2
343.01001	0.8
357.10092	0.8
369.06122	15.1
370.06659	2.3
373.09103	2.4
385.18927	1.1
401.08792	16.6
402.09122	1.8
413.05173	25.7
414.05487	3.0
427.19861	1.0
445.07788	100.0
445.20529	10.6
446.08179	15.1
446.21045	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	445.0782
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
59.01382	11.3
61.98848	3.6
65.00340	0.9
68.99815	1.4
71.01383	5.6
71.61192	1.0
73.02941	1.9
76.25044	0.6
78.83963	0.7
82.66904	0.8
83.89072	0.7
85.02952	2.4
87.00874	0.9
89.02447	3.3
93.03468	1.4
95.01394	0.7
95.05023	1.0
96.96012	1.5
99.00860	1.1
101.02437	4.9
101.06118	0.9
105.03427	0.8
109.02854	0.9
113.02455	1.4
117.03423	1.2
121.02960	1.7
125.02442	5.4
133.03011	1.8
135.04514	1.0
136.99066	0.8
137.02478	1.9
137.06059	3.0
139.88248	0.7
145.02956	3.2
145.52139	0.7
147.00896	1.3
148.01707	0.9
149.04578	0.8
149.06081	0.7
150.03250	1.0
151.00403	1.0
153.09222	1.3
160.01666	1.3
161.02492	5.2
161.04539	2.0
163.00304	1.2
163.03958	1.9
165.01836	0.8
165.09224	1.8
169.01332	1.0
172.01688	1.5
173.02429	2.5
174.03198	2.3
176.01137	1.0
177.01968	0.9
179.03432	1.6
181.05060	1.0
181.12309	2.3
185.02486	0.9
188.01181	1.6
189.01979	7.0
190.02628	1.7
191.03505	2.1
200.01175	1.1
201.01944	1.9
202.02679	2.2
202.99841	3.0
204.00537	1.3
207.03030	1.6
209.11797	2.7
211.07593	1.2
214.02701	2.3
216.00594	2.7
217.01414	5.1
217.98605	1.5
223.13315	1.4
225.05533	1.8
225.09187	1.5
226.02994	0.7
226.05864	0.7
227.03510	3.5
229.01437	6.2
230.02176	5.4
232.00052	1.4
233.00867	0.8
239.03473	1.4
239.07072	1.4
240.04294	1.9
241.05078	5.4
242.02248	1.0
242.05739	1.1
243.02719	0.9
244.00105	3.3
245.00873	18.1
245.98067	2.9
246.01437	1.1
246.98810	10.1
247.99330	1.1
249.03899	0.9
251.03468	1.2
252.04201	1.0
253.05038	3.3
253.08803	1.4
255.02847	1.8
255.03398	1.4
255.06627	44.2
256.06909	4.8
259.99597	11.7
261.00122	2.4
267.02991	1.8
267.06705	1.4
268.03802	1.4
268.07129	0.8
269.01089	4.1
269.04404	5.4
269.08167	2.8
271.99619	2.3
273.00415	6.3
273.97537	2.6
274.01120	4.0
281.05057	1.3
281.08148	2.5
282.05316	3.4
283.02936	1.6
283.06119	33.2
284.06769	9.6
285.00229	0.9
285.07425	1.0
295.06171	0.9
297.07648	4.7
297.11661	1.1
298.01001	1.0
298.08212	1.4
299.05634	1.6
303.01450	1.7
309.03867	1.3
312.06387	31.5
313.03729	1.6
313.07117	12.9
314.07513	0.8
323.05704	1.1
325.03699	1.2
325.07047	4.5
329.10190	0.9
341.06638	6.2
342.07138	1.6
357.09830	1.4
357.13803	1.4
365.15695	0.9
369.06131	8.7
370.06732	1.2
383.07697	1.7
401.08698	14.3
402.09213	1.6
413.05029	2.8
445.06888	100.0
445.12579	14.1
445.20181	6.3
446.07205	14.4
446.20920	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	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01387	4.8
61.98822	1.2
65.00320	1.0
67.58399	0.6
69.17439	0.7
69.36889	6.0
71.01379	1.5
74.96561	0.7
75.02396	1.2
85.02953	1.0
89.02472	1.4
91.01897	3.5
93.03443	1.0
93.54764	0.7
95.01395	0.6
95.05023	0.9
96.95989	1.3
107.01398	1.1
109.02946	2.2
111.00870	0.9
113.02481	1.2
119.01401	5.2
121.02970	1.3
121.06575	0.8
123.00901	0.8
125.02451	1.5
137.02444	8.0
147.00894	14.6
148.01242	0.9
153.09230	0.7
163.00398	5.8
164.01044	0.9
165.01929	11.1
165.05554	1.3
169.01437	1.1
173.02434	1.6
174.03241	1.7
175.00359	8.3
176.01086	2.8
177.01720	0.7
185.02559	1.7
189.01976	1.1
190.02666	1.0
201.01929	1.2
202.02718	5.5
202.99879	37.6
204.00240	2.9
206.99348	3.1
208.00090	2.3
209.00923	17.9
209.11845	0.9
210.01245	1.5
229.01511	1.2
230.02225	4.6
232.00313	1.1
241.05132	0.8
245.01059	1.1
246.98848	100.0
247.99159	8.1
259.99475	1.2
269.00858	1.3
269.08228	1.1
273.00497	1.4
274.01181	4.1
282.05215	1.0
297.07669	2.4
298.08078	1.0
325.07169	1.3
329.10095	0.8
357.09863	2.1
369.06012	1.2
373.09396	1.9
401.08701	7.9
445.07715	5.3
445.26257	0.9
445.31693	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	445.078
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03418	0.5
59.01385	4.5
64.79947	0.6
71.01380	1.4
83.05000	1.1
84.66032	0.5
87.00921	0.6
89.02441	1.8
90.28664	0.6
96.96019	0.8
98.19906	1.4
101.02441	1.6
110.29667	0.6
121.02969	1.2
125.02477	2.8
153.09297	0.6
161.04564	1.0
173.06027	0.6
176.23828	0.5
196.05269	1.0
209.11815	8.7
214.02763	0.6
225.09181	1.9
239.03566	0.8
240.04294	17.8
241.04654	1.9
242.02272	1.4
253.08879	2.5
259.99612	2.5
267.03030	0.8
268.03711	1.1
269.00986	7.5
269.08206	46.4
270.01486	1.4
270.08524	4.7
272.03226	0.9
283.99692	2.0
297.00418	1.3
297.04282	1.1
297.07663	11.0
298.01135	4.2
298.08069	0.8
303.98544	0.7
311.05661	3.1
313.07202	5.2
341.06625	7.7
342.07184	0.7
401.08792	1.1
445.07776	100.0
446.08127	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2803
Annotation	Fusaproliferin
Peak:m/z	Relative Intensity
58.35880	0.5
59.01385	1.2
62.13506	0.5
63.02740	0.4
68.40111	0.4
68.99834	0.7
79.05560	0.4
83.51446	0.4
85.02953	0.6
85.06606	0.9
95.05041	0.9
97.06610	1.0
107.05031	3.1
108.02161	0.7
109.02954	1.3
109.06594	1.4
111.04536	0.8
113.06101	3.5
121.06605	0.7
123.00905	0.6
123.04518	1.9
125.06202	0.5
129.20132	0.5
137.02507	0.5
137.06111	1.2
139.04041	1.9
139.07666	0.6
141.01932	0.8
141.05594	6.6
149.02449	0.6
151.04019	3.3
165.05632	0.6
166.06367	1.0
167.03580	0.5
169.05101	1.9
179.07158	1.0
181.05058	1.6
183.06621	1.5
198.05394	1.3
207.06670	0.6
237.07771	2.8
247.06125	0.5
251.09300	0.6
256.05981	1.2
265.10727	0.7
275.20309	0.8
293.14063	0.6
301.21759	1.5
335.18655	1.3
369.24380	2.4
383.26190	2.2
384.26642	0.9
385.23904	1.0
387.21600	1.2
397.20276	0.6
397.27682	0.8
399.21762	3.8
399.29272	1.6
400.22064	0.8
401.27032	1.4
443.28116	100.0
444.28403	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.49450	1.1
57.03457	2.4
59.01373	3.3
59.58219	1.1
60.80053	1.0
61.98836	100.0
67.09554	1.0
69.72607	6.6
70.00105	1.1
71.05030	2.5
72.59817	0.9
81.03442	1.2
83.04984	1.0
85.06590	5.9
93.03465	2.1
95.05034	2.0
97.02928	1.6
98.19905	2.0
107.05076	1.0
109.06625	8.3
111.04513	3.8
123.04504	1.2
125.02454	2.7
135.04567	1.9
139.04022	9.7
151.04027	1.2
153.05594	40.5
154.05975	2.4
179.03519	2.0
180.04306	1.1
192.38077	1.0
194.05823	1.2
209.11908	1.1
289.22018	1.0
325.14752	1.0
333.20685	1.9
336.54401	1.2
344.16718	1.2
381.22971	1.0
383.25943	1.3
400.25839	1.5
426.24155	2.4
444.24805	32.3
444.31876	4.0
445.26163	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2805
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.01873	0.9
57.30891	0.3
63.37902	0.3
66.44944	0.3
69.76712	1.9
71.04628	0.8
71.05025	16.0
79.01902	0.4
83.01393	2.1
85.02998	0.3
93.03417	0.3
95.05022	3.4
97.02956	7.1
98.03305	0.3
103.12375	0.3
109.06602	1.4
113.06087	0.7
119.05029	0.5
121.02955	1.0
124.08521	0.3
127.27715	0.3
135.04517	0.8
137.02472	0.3
137.06088	1.2
139.04019	100.0
140.04344	4.5
141.01947	0.5
141.05583	0.4
142.21875	0.3
163.03990	1.2
165.01907	1.0
171.50781	0.3
175.45522	0.3
181.05069	4.2
189.82829	0.3
203.93803	0.3
205.84154	0.3
261.22195	0.5
269.17685	0.3
303.23285	5.3
304.23605	0.4
357.27875	0.5
401.23172	0.4
443.28119	19.6
444.28491	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	443.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08316	2.1
57.03448	7.8
59.01385	5.4
60.48617	2.5
69.62485	9.9
69.62912	6.7
71.05023	5.5
73.02937	2.2
79.01893	11.7
85.02959	100.0
87.00896	5.3
87.98875	2.1
95.05032	16.1
97.02982	3.6
97.06583	3.0
99.04524	12.0
111.00877	3.1
113.06150	3.6
115.04044	5.0
123.04534	48.5
124.01681	10.7
125.02467	24.8
132.95123	2.6
135.04459	3.5
136.05296	3.1
137.02455	3.4
138.03218	16.4
139.00365	3.5
139.04025	4.5
141.05592	10.4
151.00414	6.0
151.04004	5.3
152.01144	6.6
156.39832	2.3
166.02731	12.0
167.03494	7.9
170.02220	3.3
179.03517	12.6
191.07127	2.3
193.05060	2.3
222.08878	2.1
235.09769	3.9
236.10669	3.7
249.52531	2.2
299.20151	6.8
301.76382	2.5
329.24808	4.0
339.23315	7.7
343.22870	12.2
353.24847	3.0
365.71051	2.7
381.24387	73.6
382.24860	10.5
383.22287	82.6
384.22800	11.4
386.23657	2.9
399.25330	3.9
420.42273	2.3
425.23453	13.1
426.23911	8.7
443.28122	19.7
443.35236	12.2
453.18008	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	443.28
Annotation	Sesterstatin 7
Peak:m/z	Relative Intensity
52.27414	0.8
57.03457	2.5
58.90829	0.7
59.01385	8.0
60.38639	0.7
68.99805	0.9
69.36768	0.7
69.58664	4.3
69.59078	1.1
73.62704	0.8
79.01918	1.1
83.01418	1.0
85.02990	2.7
85.06625	3.4
95.01421	2.2
95.05052	2.9
97.06567	5.2
99.04546	0.9
107.05070	0.9
108.02203	3.1
111.08194	1.9
113.02444	1.1
113.06104	12.6
122.03771	1.0
123.00993	1.0
123.04562	2.5
124.05357	1.6
125.02430	1.0
125.06133	1.8
137.02432	1.3
137.06129	2.1
139.04063	1.5
139.07637	1.7
141.01967	2.4
141.05592	32.6
142.05972	1.0
149.94453	0.7
151.04028	1.6
163.04115	0.8
165.05608	2.4
166.06380	3.8
166.40466	0.7
167.03493	2.0
179.07179	1.6
181.05055	5.7
183.06656	1.8
191.03574	1.4
192.07980	1.8
245.18289	0.8
256.08960	0.8
259.20795	0.9
277.21860	1.9
301.21790	5.0
357.28372	2.3
373.23950	2.3
381.28235	1.6
383.25995	7.1
384.26611	5.6
385.23495	3.6
397.27600	4.1
399.21722	3.4
399.29239	10.1
400.29669	2.2
401.23273	2.5
401.27606	6.6
425.27487	1.1
443.28262	100.0
444.28571	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	443.244
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
57.03453	1.8
69.82382	3.3
69.82786	2.0
74.82169	0.7
79.01881	1.1
83.05071	0.9
85.06593	6.1
85.41891	0.7
97.02954	0.8
109.06589	4.1
111.04527	3.4
111.51402	0.9
116.16649	0.7
124.05318	13.4
135.04469	1.4
151.04019	1.8
152.04825	3.3
153.05586	57.2
154.05937	2.7
163.07597	1.0
165.01942	3.5
179.03535	7.3
180.04282	16.7
193.05110	2.3
194.05836	8.2
207.06644	9.0
208.07249	1.9
212.03282	1.9
221.08202	2.6
235.09857	1.1
249.11389	2.8
263.12888	6.0
264.13614	2.4
318.18369	5.0
336.55975	0.9
430.33633	0.9
443.24399	100.0
444.24698	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	443.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49646	0.5
54.68560	0.5
55.01881	0.9
57.03451	3.7
59.01377	3.4
61.98840	0.5
69.03461	4.4
71.01370	0.9
71.05027	1.4
71.59743	0.7
73.02931	0.8
77.07411	0.5
77.34441	0.5
77.48637	0.5
77.49490	0.5
79.05527	0.5
81.03444	0.7
83.05033	0.7
83.48539	0.6
85.02937	2.3
85.06600	1.4
87.04507	0.6
89.02434	1.2
95.05075	1.2
97.02940	0.7
97.06596	1.0
99.04504	0.8
100.47475	0.5
107.05025	0.7
109.06592	1.9
111.04510	1.0
123.04533	0.9
125.02454	1.9
127.04036	1.0
129.07008	0.5
135.04526	0.9
136.05330	0.6
137.06079	0.6
139.04022	1.5
143.91490	0.5
145.06580	1.4
147.08228	0.6
150.27382	0.5
151.04021	1.6
152.04807	1.5
153.05571	6.3
156.80713	0.5
159.08109	0.6
161.09712	0.7
163.04039	0.5
165.01938	0.7
165.05545	0.7
167.03471	0.7
174.06741	0.6
180.04437	0.6
187.07620	1.1
189.05589	0.8
207.06554	0.5
215.07159	1.3
271.20624	0.9
295.20584	2.5
297.22131	0.9
299.20343	0.9
307.20755	0.6
309.22028	0.7
311.20236	5.6
312.20596	1.4
313.21710	1.8
319.20795	0.8
325.21811	2.4
327.23370	0.7
329.17044	0.6
337.21817	4.1
341.21140	1.1
355.18991	0.9
355.22888	1.3
356.23462	0.6
363.23413	0.7
381.20392	3.2
381.23856	0.8
381.24799	1.2
399.21304	0.9
399.25708	0.8
403.75720	0.7
425.23203	1.0
443.24411	100.0
444.24850	16.3
444.30685	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	443.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23450	1.1
55.01876	1.5
57.03446	3.1
57.76527	1.0
59.01379	7.1
59.71407	1.1
65.97056	0.9
69.03437	1.8
71.01385	1.3
71.05009	1.2
71.37412	2.3
73.02943	4.2
74.21858	1.0
79.01875	1.6
81.03464	1.7
83.01398	3.0
85.02955	100.0
85.06595	2.9
86.03285	1.5
87.00881	32.1
94.20078	0.9
95.05060	1.2
97.02962	2.0
99.04530	6.3
101.02469	2.2
107.05096	1.1
109.06571	2.5
111.00895	8.9
111.04532	3.3
115.04034	3.6
123.04554	5.1
124.01682	2.9
125.02460	8.3
127.04027	3.6
137.02414	1.4
137.06142	1.6
138.03206	2.9
139.04041	3.7
143.03510	6.2
151.00325	1.3
151.04073	1.4
152.01118	1.5
153.05579	16.3
165.01878	1.4
166.02721	2.2
167.03487	14.1
172.01814	1.1
179.03484	4.0
180.04266	1.7
185.04568	6.2
235.09827	1.7
241.09081	1.2
275.20279	1.8
299.20212	2.7
331.22653	1.2
343.22766	44.7
344.23065	6.0
350.31107	1.1
355.22867	1.3
365.21115	1.3
383.22287	29.3
384.22620	5.0
401.23367	2.6
425.23270	7.1
443.24384	92.3
444.24655	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	443.2441
Annotation	Bufotalin
Peak:m/z	Relative Intensity
55.47906	0.8
57.03447	4.3
59.01380	5.1
69.03471	2.0
69.77684	5.6
71.01398	1.8
71.04975	1.3
73.02942	3.4
75.12083	0.9
78.77767	0.9
79.01871	1.3
81.03458	0.9
83.01394	2.5
85.02956	84.7
85.06602	4.0
86.03298	2.0
87.00878	24.2
95.05019	1.6
97.02959	3.1
99.04529	4.4
101.02446	1.6
102.93177	0.9
109.06582	2.8
111.00871	7.2
111.04543	3.4
113.02431	2.2
115.04018	3.8
121.50721	1.0
123.04534	5.6
124.01638	3.1
125.02448	9.2
127.04002	1.6
130.41580	1.2
135.04541	2.1
138.03236	4.1
139.04012	2.1
140.01271	0.9
143.03549	6.2
151.00319	1.3
151.03925	1.8
152.01134	2.3
152.04739	0.9
153.05574	25.6
154.05946	1.2
166.02702	2.9
167.03525	11.3
170.02309	1.1
179.03468	2.9
180.04201	1.7
180.50050	1.2
185.04576	2.9
207.06610	1.3
235.09798	1.9
275.20331	2.2
299.20197	3.5
331.22803	1.4
343.22797	32.5
344.23041	5.0
365.21146	1.8
383.22302	21.6
384.22711	3.2
397.23962	1.1
401.23615	1.7
425.23309	5.3
426.23880	1.0
443.24402	100.0
444.24771	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.29451	0.5
55.01872	2.2
55.05954	0.5
57.03447	2.1
58.00583	1.1
59.01383	43.4
61.52863	0.5
69.84666	1.7
69.85072	1.1
71.01387	29.2
72.01761	0.5
72.99321	1.4
73.02946	4.4
75.00880	0.7
75.75919	0.5
83.01385	3.8
85.02950	10.8
87.00884	1.3
89.02449	17.9
95.01398	2.1
97.02955	0.7
97.67609	0.5
98.19933	1.1
99.00885	1.6
99.03512	0.6
101.02452	22.6
111.04517	1.4
111.48952	0.5
112.90243	0.5
113.02463	10.1
119.03518	7.9
123.00889	0.8
125.02440	0.7
130.52962	0.5
159.02951	0.6
161.04581	1.3
161.56557	0.6
169.01457	0.7
179.05591	0.8
189.12813	2.2
219.13860	1.1
237.14999	1.2
443.19232	100.0
444.19629	12.7
451.09619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.1
56.99052	1.1
57.03460	3.0
59.01387	24.7
70.29198	1.2
71.01393	38.4
71.61221	2.4
72.99306	1.6
73.02950	13.4
75.00896	2.4
81.03513	1.2
83.01401	4.7
85.02956	21.9
87.00898	2.4
89.02457	5.4
93.03487	1.9
95.01372	2.2
96.96027	3.0
99.00893	6.2
101.02459	29.9
113.02462	19.0
117.05605	1.1
119.04993	1.6
120.05878	1.8
123.08185	1.6
125.02448	5.1
133.10240	6.8
135.11818	29.1
135.12799	2.3
137.02441	7.3
139.04047	2.9
143.03522	1.8
146.07423	1.9
159.03082	3.0
159.08162	3.5
161.04564	24.2
161.09734	25.8
169.01442	3.4
179.10791	100.0
180.11121	6.2
186.25842	1.2
224.31454	1.2
237.09822	74.0
238.10136	4.9
281.10565	2.7
281.13983	12.0
341.08792	2.0
380.22708	1.3
399.20160	3.2
443.19681	21.6
443.25101	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71206	1.4
51.22499	1.2
59.01383	9.7
61.98838	54.4
71.01388	9.9
71.05028	12.8
71.59891	1.7
73.02970	1.9
74.67779	1.1
75.00884	3.7
83.01421	1.4
85.02968	4.2
89.02444	7.6
95.01414	3.1
96.96017	5.1
97.02960	1.2
99.00889	1.6
99.04515	1.5
101.02450	8.6
103.04020	2.4
109.02992	2.6
113.02463	3.0
117.05592	100.0
118.05917	3.0
119.03507	1.8
123.00898	4.9
123.04518	1.4
125.02476	7.1
135.24445	1.2
137.02466	3.4
150.03226	2.1
151.00391	1.8
161.04668	2.1
168.00699	1.4
169.01492	7.3
175.04031	5.6
177.01921	2.3
179.05576	1.5
191.03552	12.4
192.04218	3.2
193.05051	8.3
202.82050	1.1
211.02515	1.8
219.03012	5.6
237.04077	37.8
238.04401	2.2
267.10892	4.4
271.04575	3.0
291.07214	2.0
300.99823	2.3
313.05649	2.4
372.76846	1.3
383.15643	1.5
399.09286	6.8
437.24341	1.3
443.03198	1.7
443.07706	8.4
443.19388	13.9
444.03418	1.5
444.11292	4.4
444.20068	1.6
455.09677	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	443.1713
Annotation	Xanthanthusin H
Peak:m/z	Relative Intensity
59.01383	100.0
60.01736	0.7
61.98831	1.7
69.03455	0.8
77.55424	0.6
81.03496	0.8
83.01392	0.6
83.05023	0.6
85.02968	1.0
87.00897	0.6
108.02156	0.7
109.02967	4.6
113.02457	3.7
119.66771	0.6
121.02946	0.9
123.04564	1.2
125.02445	1.3
134.03741	1.3
134.04735	0.6
135.04482	0.9
140.13889	0.6
143.05040	1.1
144.05820	4.6
146.03731	0.7
149.06058	1.4
156.05721	1.0
158.03735	1.8
159.04483	1.5
171.04547	5.2
172.05310	14.4
173.05923	2.0
184.05302	1.1
184.15950	0.6
185.06078	1.9
187.07640	13.0
188.08035	1.0
190.06380	2.8
199.07619	1.5
205.08711	2.4
207.10258	1.4
212.04730	1.1
224.04820	1.8
240.04379	4.2
241.04855	1.3
247.07504	1.0
247.09706	3.6
253.05193	0.8
254.05766	0.9
255.06686	2.3
265.08426	0.9
268.07611	0.8
270.08997	0.8
277.08801	2.9
279.10150	0.7
283.09686	0.8
292.07382	0.8
293.08218	3.0
295.09869	1.3
307.09616	0.8
308.10538	12.0
309.10910	1.0
311.09195	0.6
323.12894	16.6
324.13135	2.3
326.11435	1.5
341.13889	1.8
353.10074	1.1
355.21228	4.2
359.15051	0.9
368.12756	1.1
383.15073	13.6
384.15179	2.2
386.13483	0.8
399.45294	0.7
401.16132	4.8
425.21799	1.7
428.14703	5.5
429.15143	0.9
443.17010	24.9
443.23389	1.6
444.17545	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
59.01387	7.4
67.01871	0.8
69.34108	1.8
69.34531	3.4
71.01392	7.6
72.99281	1.1
73.02938	1.5
79.01882	1.1
83.01390	1.0
85.02969	3.3
87.00881	0.9
89.02442	4.3
90.95594	0.5
95.01365	1.8
96.96020	0.9
97.02934	0.7
99.00849	0.8
101.02464	3.9
107.01402	4.5
111.00906	2.8
111.04527	7.5
113.02445	3.3
117.03465	6.1
119.03502	1.3
119.05028	3.5
122.94455	0.6
123.00134	0.8
123.00903	11.6
124.01682	1.0
125.02454	22.1
126.02766	1.0
127.00349	0.7
129.05595	3.9
136.98772	1.4
139.00369	4.4
140.01212	2.8
140.77199	0.5
141.01930	1.4
145.02971	25.0
146.03334	0.7
150.99353	0.7
151.00395	8.2
153.01857	0.8
163.02963	0.5
163.04025	6.6
163.11128	0.5
166.32951	0.6
168.00658	3.2
169.01434	29.3
170.01677	1.3
205.04987	0.7
211.02531	3.6
216.46072	0.5
228.60112	0.7
265.07053	0.6
271.02051	0.6
271.04645	3.8
290.60803	0.6
291.10901	10.7
298.09515	0.6
313.05637	3.2
407.43854	0.6
443.11694	100.0
444.12061	13.3
459.89499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1564
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
55.01886	0.6
59.01387	2.0
60.15433	0.2
61.98836	0.2
69.28627	2.4
71.01388	1.1
73.02951	0.5
74.16698	0.2
75.00878	2.0
79.95715	0.2
81.03469	1.5
83.05035	4.9
84.05387	0.3
85.02959	0.5
85.06599	10.2
89.02456	0.5
95.01373	0.3
96.95991	1.3
97.02953	2.4
98.20678	0.4
101.02463	0.4
101.06086	1.4
109.06596	1.6
111.00983	0.3
111.04526	3.4
113.02499	0.5
123.00861	0.6
125.02433	0.6
125.06082	3.0
127.04052	0.3
137.09758	0.3
138.03233	0.9
145.05096	3.2
149.06067	0.4
151.00414	0.4
153.05585	100.0
154.05922	4.8
167.03455	0.4
167.07071	0.4
169.01425	0.9
173.66087	0.2
177.05565	3.3
179.03535	0.3
179.10835	0.3
181.08755	0.4
182.02232	0.4
193.12318	0.3
195.06625	0.3
197.04593	1.3
207.06712	0.3
207.10341	0.5
219.06590	0.4
248.02327	0.3
281.10321	33.9
282.10654	3.8
315.10858	0.5
323.11459	0.7
407.19095	0.4
442.13245	0.3
443.15436	7.5
443.25357	0.4
444.15860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01364	1.9
61.98832	100.0
62.45425	0.7
66.26726	0.7
69.03442	0.9
69.58430	1.9
69.58850	4.0
73.02948	1.6
82.85886	0.8
83.01378	2.8
85.02438	1.9
85.02954	35.3
87.00881	10.8
99.04520	2.4
101.47079	0.8
111.00875	2.3
115.04003	1.2
123.04498	1.8
124.01653	1.5
125.02456	16.2
138.03117	0.8
139.04005	3.1
143.03482	2.9
152.21851	0.8
153.05563	2.9
158.51262	0.9
166.02725	1.1
167.03546	5.1
179.03461	1.1
185.04482	1.8
197.28539	0.8
275.20279	0.8
290.89270	0.8
291.89337	0.8
299.20120	0.9
342.28799	0.8
343.22791	15.1
379.21155	2.6
383.22296	10.4
425.23148	2.9
443.24350	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
59.01383	13.0
61.98840	9.0
67.01894	1.9
67.79902	0.8
71.01394	9.4
71.23499	0.7
71.60984	1.4
72.99319	1.9
75.00882	1.4
79.01909	1.8
79.95746	16.3
80.96528	4.3
81.03471	1.5
83.01370	1.7
85.02955	4.0
87.00893	1.9
89.02461	4.1
93.03448	5.8
95.01398	3.1
96.96013	9.8
97.02949	0.9
99.00904	1.2
99.04535	0.8
100.76845	0.8
101.02471	5.5
107.01421	5.5
108.02180	6.7
109.02949	1.9
111.00906	2.9
111.04527	2.9
113.02457	3.1
117.05581	4.0
119.03503	1.4
119.05028	1.8
121.02967	2.8
122.03732	2.9
122.99986	1.0
123.00893	17.2
123.04530	6.4
124.01691	1.4
125.02455	28.4
126.02789	1.6
127.00331	1.2
129.05594	6.9
132.38945	0.8
133.02968	2.0
135.04532	1.7
136.98795	1.8
137.02441	7.6
137.06068	0.9
138.03223	2.8
139.00369	5.3
139.03973	1.2
140.01155	3.9
141.01955	1.0
145.02965	2.8
147.06497	0.8
149.02438	8.1
150.03233	35.9
151.00397	10.4
151.03685	2.0
152.01152	12.4
153.01917	1.5
153.05594	6.2
161.02428	1.1
163.03990	1.9
164.04756	2.5
165.05577	47.9
166.05960	2.4
167.03510	20.2
168.00655	9.0
168.03824	1.4
169.01430	39.2
170.01747	1.7
175.97859	12.8
176.47842	1.4
179.03465	1.4
180.04259	3.0
181.05009	0.9
192.04279	6.2
195.06633	13.6
202.67783	0.9
203.00243	2.5
211.02489	28.9
212.02844	1.6
241.03311	1.2
245.01236	19.0
249.21922	0.7
256.07361	2.3
271.04602	42.8
271.09442	1.8
272.04947	2.3
275.02283	10.8
291.10852	4.2
297.08154	1.2
300.99997	1.8
313.05664	2.6
315.08804	3.6
331.06696	3.5
363.10803	1.5
399.02692	3.3
399.12784	1.1
399.20016	1.2
443.06439	50.4
443.11957	100.0
443.18707	3.3
444.06769	5.9
444.12326	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	442.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01382	4.8
61.98835	100.0
66.23771	0.5
69.48587	2.2
69.49007	1.9
71.01393	2.8
71.05037	0.7
72.99324	0.5
73.02972	0.7
75.00878	0.7
79.95747	1.5
81.95338	2.4
83.01407	0.5
85.02973	1.5
87.00850	0.7
89.02444	1.5
93.03506	0.6
95.01412	0.6
96.96015	7.3
98.95599	9.6
98.96419	1.0
99.92786	0.5
101.02449	1.8
109.02973	1.5
113.02435	0.8
114.87267	0.5
115.22819	0.5
117.03462	0.9
117.05590	2.0
118.05959	0.7
119.04973	0.8
120.65462	0.5
122.03788	0.7
123.00900	2.2
123.04543	0.9
125.02460	4.1
131.81020	0.6
132.02113	0.8
133.05089	0.6
134.03725	1.2
135.04518	0.6
136.03976	0.5
137.02425	1.2
137.06129	1.1
139.00417	0.7
141.01935	0.7
145.03004	4.7
146.03333	1.7
151.00423	1.8
153.01979	1.0
160.01692	4.1
163.04036	1.7
168.00764	0.5
169.01419	4.2
175.04036	4.4
177.02007	0.7
179.69608	0.5
186.28177	0.6
193.05074	1.3
203.10863	1.9
265.94028	0.6
271.04694	0.8
289.07187	0.6
290.07562	0.8
319.15622	3.1
363.14523	2.9
398.02274	0.8
424.87790	0.9
442.10632	9.0
443.11508	1.1
443.15762	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83667	2.1
55.01870	2.3
57.03448	3.3
59.01092	3.9
59.01382	49.1
61.98842	10.5
69.03436	2.5
69.37752	4.5
69.38157	12.9
71.01390	33.5
72.99307	2.3
73.02966	9.7
79.95718	3.1
80.77629	1.9
83.01390	7.1
85.02961	15.2
87.00883	4.9
89.02452	17.8
95.01374	2.9
96.96019	12.1
97.02929	3.5
99.00884	3.6
99.04507	2.5
101.02452	29.7
101.06080	3.6
107.01392	4.2
109.02955	4.8
111.00884	4.2
113.02464	10.1
113.03129	2.0
115.04031	2.2
115.07629	2.9
117.03469	2.5
119.05012	4.7
120.99664	2.1
123.00887	4.7
123.04595	2.3
125.02454	31.2
127.03987	7.4
131.03517	10.8
131.07143	7.3
131.65166	1.9
137.02423	3.4
145.02942	13.7
149.04544	3.0
151.00356	4.9
161.04539	8.1
163.04019	9.3
169.01440	40.7
203.07120	2.3
226.43161	2.2
239.62910	1.9
249.13454	28.8
250.13771	2.9
268.39865	2.1
289.07236	8.4
295.10333	10.7
313.05682	16.2
322.05325	2.2
351.01208	2.7
357.88959	2.2
367.10190	3.9
369.02902	2.9
379.00726	5.7
379.17581	5.4
381.17648	100.0
382.18170	9.3
393.12149	2.5
397.02057	20.6
397.18835	2.7
398.02322	4.2
441.00995	5.8
441.09573	24.8
441.21561	8.9
442.10345	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	441.265
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
55.01865	0.6
61.94992	0.4
62.65186	0.3
69.54861	2.7
71.05025	14.3
72.05354	0.5
78.91853	0.3
79.01891	0.6
83.01398	1.5
93.03461	0.7
95.05037	4.3
96.13494	0.3
96.96019	0.7
97.02962	8.4
98.03312	0.6
109.06600	1.5
111.04546	0.7
113.06091	0.6
121.02978	0.8
135.04526	0.9
137.06097	1.9
139.04022	100.0
140.04361	3.5
163.04019	1.6
165.01929	1.0
179.03262	0.4
181.05086	4.2
267.70911	0.3
301.21701	3.9
302.21939	0.5
355.26440	0.5
369.28091	0.8
397.27795	0.5
437.88504	0.4
441.26474	20.8
442.27054	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	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33516	0.7
52.19601	0.6
57.03455	2.9
57.91128	0.5
59.01384	3.6
59.08794	0.5
61.98820	1.5
65.00317	1.5
66.49199	0.5
71.01401	3.9
71.05034	1.5
71.61583	0.5
71.61987	0.8
73.02956	1.5
79.95746	0.8
81.03465	17.5
83.01377	2.2
83.05037	1.0
85.02962	1.8
89.02431	0.7
95.01376	0.8
95.05017	1.9
96.96011	5.1
97.02946	1.9
97.06581	2.9
98.95608	1.2
101.02442	2.0
107.01401	3.2
107.05035	0.8
109.02930	1.0
109.06599	0.6
111.00916	0.5
113.02480	0.6
117.05542	0.8
119.05051	0.6
119.60735	0.5
121.02944	1.3
122.03722	1.6
123.00877	1.9
123.04507	1.8
125.02454	29.3
125.09670	0.6
126.02794	1.3
135.04532	1.2
135.08176	0.6
137.02449	0.6
137.09703	0.9
139.04005	1.7
149.02467	3.5
151.00375	3.3
151.11284	0.8
152.01059	0.9
153.09222	1.5
161.02438	1.0
161.04607	0.7
161.09694	0.8
163.03963	0.8
163.61830	0.5
167.03542	0.8
169.01440	15.1
169.12372	1.1
170.01663	0.9
175.00337	1.3
176.03340	0.6
179.03450	1.1
179.10782	1.0
189.09171	0.7
193.12352	2.1
195.06645	0.7
195.10196	1.3
211.02498	1.6
233.06393	0.6
235.13417	10.8
236.13681	1.1
241.03542	0.6
249.11394	1.9
263.12939	1.2
271.04599	1.6
275.13025	0.9
279.12384	100.0
280.12726	10.5
293.14005	2.9
303.12366	41.5
304.12741	4.1
305.13739	0.6
313.05688	6.5
314.06073	0.8
321.13419	11.2
322.13724	1.6
333.13461	4.2
381.15863	0.9
397.01794	3.1
423.16611	1.3
441.13141	2.2
441.17661	20.5
441.24759	4.7
442.18878	3.3
442.23819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25331	1.0
54.13585	1.1
55.01870	1.7
57.03454	3.9
58.00589	3.5
59.01383	100.0
61.98828	1.1
69.03458	1.5
71.01389	62.1
72.01720	1.6
72.99313	4.8
73.02950	2.6
83.01385	5.5
85.02966	10.4
87.00891	2.2
89.02449	60.1
90.02743	1.5
95.01415	6.0
97.02946	3.3
98.87354	1.1
99.00900	2.1
101.01785	2.2
101.02452	39.5
102.02793	1.4
109.02966	15.6
109.06593	1.1
113.02458	24.0
119.03510	26.5
121.06528	1.2
122.03756	1.9
123.04526	4.6
124.05286	2.1
124.31241	1.1
125.02454	36.9
131.03517	3.3
133.06590	15.4
135.04541	1.7
137.02458	6.1
137.06055	2.3
138.04283	1.2
139.03946	1.9
139.07664	16.1
141.45042	1.0
143.03526	4.4
147.66933	1.2
149.02457	1.7
149.04591	1.3
149.06050	2.2
151.04034	3.0
161.04582	9.8
161.05956	1.8
163.07721	1.4
165.01978	2.5
169.01437	54.1
169.08737	1.4
170.01814	1.8
179.03471	2.5
179.05624	4.2
185.06291	1.2
193.01382	2.6
203.07137	3.1
205.05077	1.7
205.12308	4.5
217.12309	4.3
229.79761	1.2
235.13400	3.2
245.08121	3.4
271.06134	2.6
289.07202	26.0
303.05261	1.4
330.13171	26.5
331.04745	1.3
331.13882	17.0
332.14426	1.5
372.75598	1.3
397.18481	4.0
423.16614	1.3
441.08072	2.9
441.17706	86.7
442.08640	1.9
442.18027	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98454	0.4
53.24743	0.4
55.01868	0.8
57.03435	1.0
59.01386	5.5
61.98812	0.7
65.00333	0.8
67.01885	1.3
69.03453	1.1
69.57045	2.5
71.01389	5.8
72.99296	1.2
73.02946	1.6
78.05366	0.3
79.01891	1.4
79.95753	0.6
81.03454	1.7
83.01387	1.6
85.02950	2.9
86.00111	0.5
87.00864	0.8
89.02449	1.4
93.03442	1.6
95.01406	3.1
96.96004	1.8
97.02914	1.1
98.95560	0.5
99.00894	0.6
101.02451	4.7
105.81165	0.4
107.01383	4.3
109.02920	0.5
111.00877	3.5
113.02449	1.7
119.03482	0.4
119.05067	0.4
121.02972	0.5
123.00894	17.3
123.04519	1.1
124.01721	0.8
125.02450	17.7
127.00378	1.0
136.01663	0.5
136.98801	2.1
137.02438	4.8
139.00400	5.7
139.03969	0.5
140.01164	5.2
141.01974	2.5
142.26491	0.4
145.03024	0.4
151.00385	12.8
151.03989	0.4
153.01910	1.2
153.88210	0.4
160.04012	0.4
161.09727	0.6
163.03938	0.5
168.00685	4.2
169.01445	18.4
170.01816	0.9
179.10736	0.7
187.11270	0.6
205.12268	0.7
211.02431	0.6
217.12285	1.0
235.13403	0.5
238.61169	0.4
249.11360	0.6
279.12384	16.5
280.12701	1.8
303.09061	0.7
303.12323	6.3
304.12576	0.5
309.97964	0.5
313.05688	0.8
321.13266	1.6
333.13321	0.6
391.41266	0.5
397.01917	1.2
441.17563	100.0
442.17798	14.4
456.23001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72364	0.2
59.01387	3.0
61.98833	0.9
71.01032	0.4
71.01387	3.3
71.05025	16.9
71.59667	0.4
72.05357	0.5
72.99309	0.5
73.02948	1.1
74.99095	0.3
75.00864	0.6
75.02396	0.3
78.95908	0.6
79.64713	0.2
83.01381	0.6
85.02959	0.9
87.00876	1.0
89.02443	2.0
91.40935	0.2
95.01411	0.2
96.96033	0.9
96.96976	0.7
97.02973	0.6
99.00898	0.6
99.04530	0.6
101.02454	2.5
101.64429	0.2
103.04028	0.4
111.00920	0.4
113.02461	1.6
117.05588	100.0
118.05930	3.3
119.03493	1.0
123.00908	0.6
125.02455	2.6
130.23175	0.2
132.87334	0.2
135.77682	0.2
143.03462	0.5
151.04005	0.3
161.02483	0.4
161.04541	1.5
165.01904	0.3
169.01389	0.6
175.04004	0.3
177.01923	0.7
179.05617	2.9
191.03445	0.7
223.38843	0.2
231.03023	0.3
240.28960	0.2
247.02417	0.3
271.04776	0.5
275.02054	0.4
290.07983	0.2
293.50671	0.3
300.99808	0.3
301.11826	0.3
323.09842	0.9
327.16513	0.3
341.10950	0.8
344.48914	0.2
397.01956	1.0
423.07361	0.3
441.06088	0.5
441.15952	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.8
59.01096	1.5
59.01383	22.9
61.98826	4.0
69.42082	6.0
69.42489	1.3
71.01385	14.5
72.99340	1.3
73.02932	2.0
83.01418	1.0
85.02956	23.1
86.03302	0.8
87.00869	1.3
89.02453	14.3
96.96017	5.6
98.19874	1.3
101.02448	9.9
103.04018	37.8
113.02474	5.2
117.03455	2.8
117.05570	2.7
119.03501	7.1
125.02451	1.3
132.02174	3.3
133.02963	3.7
134.03752	39.6
145.05060	1.5
147.04555	6.6
148.05304	1.4
149.06093	5.1
158.94745	1.0
160.01691	20.0
161.02466	7.7
171.83296	1.0
175.04039	27.5
176.04776	9.8
177.01904	2.0
191.07170	11.2
193.05077	32.0
194.05394	1.6
207.06609	3.2
220.03830	1.7
235.06117	15.8
236.06508	1.2
265.09296	100.0
266.09711	5.9
295.08124	4.7
321.10190	1.2
337.09302	2.6
379.01114	1.2
397.02151	2.0
441.13977	80.1
442.14249	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	441.0828
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
57.03455	2.8
59.01387	10.3
61.98812	1.7
65.48293	0.9
69.03468	1.8
69.45564	3.5
69.45974	3.8
71.01386	7.8
71.05014	1.7
79.95736	2.6
81.03458	3.3
83.01389	4.1
85.02943	1.7
89.02454	8.3
93.03468	1.4
95.01394	2.4
95.05032	4.1
96.96014	2.1
97.02939	7.6
98.19839	1.7
101.02441	3.7
107.01382	2.0
108.02223	1.4
109.02960	28.1
110.03323	1.1
111.00867	1.3
113.02457	2.2
115.89264	0.8
117.03477	1.0
117.05609	4.9
119.03533	1.8
119.04982	1.3
121.02972	4.2
122.03718	2.3
123.00897	2.6
123.03716	1.4
123.04533	16.5
125.02447	75.9
125.81828	1.0
126.02783	3.2
133.06577	2.0
134.03706	1.1
135.04539	24.4
137.02441	16.4
139.00291	1.5
139.04025	2.6
139.07628	1.4
140.01184	1.3
145.02977	6.0
146.03731	1.3
147.04539	1.5
149.02438	4.3
149.05974	1.1
150.03238	1.4
151.00381	1.5
151.03996	12.3
159.04535	3.6
160.05231	1.7
161.02438	3.3
161.04675	1.2
161.06084	5.5
162.03149	1.5
163.04004	2.3
164.01140	4.6
165.01968	5.0
166.99832	1.0
167.03461	1.5
168.00664	2.0
169.01431	89.9
170.01776	4.1
173.06052	1.4
174.03255	1.2
175.03961	2.0
175.07611	2.2
177.05521	1.2
179.03497	30.7
187.04013	4.8
188.04758	4.6
193.01428	4.3
202.06290	3.4
203.07129	16.4
204.07445	1.2
205.05095	10.8
221.08124	3.6
227.07176	2.7
245.08185	17.2
246.08372	1.4
253.05121	1.4
259.05890	1.3
271.06006	3.4
289.07196	100.0
290.07544	10.3
303.05136	2.4
315.04959	1.3
330.13116	2.8
331.04703	2.2
441.08569	12.6
441.12900	1.9
441.18427	9.0
442.08542	2.9
452.93103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84859	0.8
57.03446	1.1
59.01383	7.3
61.98833	11.3
62.84681	0.7
67.78335	0.8
69.67319	1.4
69.67739	3.8
70.77040	0.7
71.01392	5.6
74.85874	0.8
74.99070	0.8
75.00868	2.8
79.95737	2.6
81.95340	1.1
83.01377	1.5
85.02955	3.8
87.00893	0.9
89.02444	2.7
93.03449	1.1
96.96027	8.6
97.02971	1.5
98.95609	4.6
98.96424	1.2
99.00874	1.3
101.02461	2.6
101.06061	1.9
107.01397	1.4
108.02190	2.7
109.02946	2.3
113.02405	1.7
115.04006	1.1
117.03476	4.9
117.05565	3.7
119.03541	1.2
119.05029	16.6
121.02965	1.1
123.00893	2.2
123.04506	3.6
125.02471	6.2
127.00359	3.9
133.05054	1.9
135.00960	1.0
135.04544	9.2
137.02460	2.1
145.02962	16.7
145.18375	0.9
149.02480	1.0
151.04045	1.7
151.77200	0.9
161.06087	2.1
163.04042	16.7
165.01950	1.7
165.05429	0.9
167.03548	1.1
169.01468	4.3
169.06633	2.0
171.82835	1.0
177.05627	0.9
179.03516	10.7
182.03711	1.6
183.04420	1.2
185.06046	1.2
192.00673	2.3
193.01503	4.6
193.02925	0.9
195.02934	0.9
195.04561	1.0
197.02519	0.9
197.06137	4.2
198.03308	1.2
205.05087	3.4
207.04491	1.3
209.06087	1.2
210.03191	1.0
213.05667	1.6
223.04054	2.0
224.04718	2.0
225.01903	1.2
225.05550	6.9
226.02600	2.9
229.01283	0.9
234.17209	0.8
235.03929	1.6
235.06107	1.6
238.02882	1.0
239.03357	0.9
240.04182	2.3
241.05104	7.7
245.08148	0.8
251.03487	4.3
252.04276	1.7
253.05113	7.3
254.02191	2.9
263.03497	1.8
265.07138	3.4
266.02185	0.9
267.02856	1.0
268.03705	2.1
269.04578	9.4
271.04559	1.1
279.03000	7.6
280.03757	1.6
281.01431	1.0
281.04538	5.9
282.01767	4.6
285.00424	2.0
289.07285	5.1
294.01663	1.3
295.02448	1.0
295.10352	3.5
296.03247	1.3
297.04013	7.0
299.99191	3.7
307.02545	4.8
307.08102	1.7
308.03275	1.3
309.00385	10.2
309.04007	4.4
310.01105	4.1
312.99854	10.5
314.00629	4.3
315.01358	3.2
322.01236	1.3
323.01978	2.0
324.02747	1.5
324.99835	4.8
325.03516	21.0
326.00357	1.3
326.03870	3.4
327.01306	1.0
335.01999	8.2
336.02606	2.0
336.99759	1.2
338.00693	8.3
339.01263	1.7
341.02881	2.3
343.01001	5.3
351.01468	3.9
352.01953	1.4
352.99548	3.3
353.03033	72.6
354.03436	8.6
361.09155	1.0
369.02518	12.1
369.99435	3.8
379.01208	3.8
379.16074	3.9
397.02026	100.0
398.02341	13.1
413.01434	1.1
422.99866	2.2
440.11017	1.4
441.00946	51.2
441.10547	8.1
441.14401	3.4
441.20358	1.1
442.01395	5.7
442.14258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29606	1.0
55.37782	0.9
61.98836	100.0
65.87168	0.9
81.03454	3.6
98.20760	1.1
122.03717	2.2
125.02441	4.3
157.17645	1.0
168.37376	1.1
172.22621	0.9
178.30669	0.9
219.13837	5.7
377.23346	50.2
378.23627	7.7
441.23001	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	440.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32290	0.8
61.02488	0.7
61.98833	100.0
64.75950	0.7
86.24152	0.7
95.05054	1.6
96.96025	2.5
98.20755	1.5
115.82876	0.7
121.31084	0.6
139.04062	1.2
178.06340	0.6
188.30261	0.8
229.26364	0.8
301.65073	0.9
318.52927	0.7
333.28195	2.7
377.26984	15.4
378.27637	2.4
379.48557	0.7
395.24286	0.8
397.23911	0.7
423.21902	4.0
441.24911	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	440.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23577	1.8
60.05600	2.1
61.98836	100.0
62.09952	2.1
70.17993	7.3
96.96014	2.9
124.01652	4.0
126.84283	1.8
152.01118	3.0
179.39203	2.0
324.89554	2.0
403.28439	8.3
404.28806	13.5
441.20209	2.4
441.25955	4.2
462.38293	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
61.47879	0.4
61.98827	0.4
63.75609	0.4
69.54988	2.8
71.01373	2.1
73.02930	0.4
75.00854	0.9
76.13493	0.4
79.91648	0.4
79.95678	0.4
96.96011	1.0
97.02945	0.5
101.02451	0.5
109.02944	0.6
111.00873	0.5
117.05562	1.1
120.99673	0.5
123.00846	0.4
125.02444	2.4
126.02721	0.4
131.07137	0.5
150.03127	0.4
161.02393	0.6
165.01933	0.7
165.05603	0.9
169.01442	1.6
169.29736	0.4
177.01971	0.5
189.01961	0.9
195.04503	0.8
197.06035	0.5
202.02834	0.4
207.04477	0.5
211.03949	0.6
213.01909	0.5
214.02660	0.7
215.03555	0.5
223.03958	1.2
230.02277	0.7
235.03963	0.5
239.03513	0.9
241.05086	0.7
244.00136	0.5
245.00835	0.8
251.03493	1.5
253.04980	0.7
256.76706	0.5
258.01559	0.8
267.02957	1.3
269.01041	0.9
269.04410	0.9
270.98975	0.7
271.04727	0.8
273.00388	0.9
279.03012	2.0
285.00702	0.8
285.04083	1.2
286.01086	0.9
295.02490	2.1
296.03116	0.4
297.00381	2.9
297.04004	1.5
298.00983	0.6
298.98337	0.5
299.99146	4.5
300.02429	0.7
300.99713	1.3
306.01590	1.1
307.02396	1.1
309.00537	0.7
312.99869	1.8
313.03558	1.3
314.00705	6.0
315.01144	0.8
322.00995	2.0
323.01868	4.0
324.02454	0.9
324.99905	12.8
325.03442	1.7
326.00662	2.8
327.01468	1.3
334.01157	1.1
335.01974	4.1
336.02432	0.8
339.01447	0.7
339.98624	1.5
340.99265	0.9
341.03015	7.7
342.03290	1.2
351.01489	7.1
352.01871	0.8
352.99338	1.5
353.03143	1.4
354.00159	1.5
354.03925	0.4
369.02515	7.2
370.02774	0.9
379.00955	25.1
380.01251	3.2
397.01990	100.0
398.02325	12.5
441.01001	11.8
441.10242	1.5
442.01434	1.8
447.99197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98833	100.0
71.31609	1.0
75.35480	0.6
111.04582	0.8
125.02472	1.0
139.04024	3.6
179.03500	1.2
240.62370	0.7
368.01300	1.1
377.19650	6.5
378.20535	0.8
397.01999	1.2
425.18686	0.8
441.22989	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	440.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07983	0.8
57.03445	1.0
59.01376	2.8
61.98837	100.0
69.65520	4.9
75.64355	0.8
92.07919	0.9
125.02443	2.6
137.02435	1.3
139.04057	6.0
153.05553	2.8
166.63281	0.9
233.73314	1.1
299.60779	0.9
368.01230	1.3
377.19699	1.5
425.87976	1.0
440.22318	2.3
440.32230	3.1
441.22827	20.2
441.33405	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	439.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40422	0.5
55.89251	0.5
59.01383	24.8
60.01714	0.7
61.98837	2.5
69.94881	3.4
71.01393	3.7
71.05023	11.1
73.02961	2.9
74.99101	1.0
79.95749	6.7
83.01404	1.2
85.02972	1.1
89.02460	1.1
96.96012	16.8
96.96973	0.8
98.95627	0.7
99.04549	1.0
101.02461	3.6
101.06108	0.8
108.02200	0.8
108.18535	0.6
109.02966	1.1
110.37127	0.6
111.00928	0.9
113.02450	2.5
117.05587	100.0
118.05942	3.2
120.99666	1.3
125.02441	3.3
131.03517	0.6
136.99126	2.0
137.02458	2.1
138.03249	0.9
145.02977	0.9
151.04092	0.7
153.01962	1.6
155.12994	0.5
159.06627	2.1
161.02463	0.8
161.04605	1.2
165.02002	3.1
165.05542	0.6
169.01443	1.4
179.03564	1.0
180.04283	1.8
189.07684	0.8
193.05066	0.9
195.06639	2.0
216.42586	0.7
225.07700	1.9
241.05281	0.7
275.01968	0.9
300.12939	0.6
301.00082	2.0
307.17606	1.8
339.01263	0.6
367.00888	3.0
390.52475	0.7
395.00317	0.7
398.17087	0.7
425.11252	0.6
438.98874	2.0
439.05222	1.0
439.10941	10.0
439.21872	2.9
440.11395	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	439.2493
Annotation	Arieianal
Peak:m/z	Relative Intensity
55.01869	1.6
59.01379	2.5
65.78168	1.4
65.93962	1.6
67.01869	2.2
71.60880	1.7
72.99270	1.3
85.02946	5.5
87.00874	2.6
95.01395	9.1
107.05016	5.7
109.06577	8.9
111.04496	2.8
122.76718	1.4
123.08163	8.5
135.04521	1.9
142.03941	1.6
151.04004	6.5
152.04808	3.0
153.05582	1.9
165.09190	1.8
179.03481	5.6
180.04257	4.4
207.06639	4.1
208.07368	1.8
209.08156	2.7
263.23740	3.1
279.23129	3.2
280.12027	1.5
301.21848	2.5
334.02686	1.6
351.25461	20.0
352.25894	4.0
355.22745	2.3
367.26456	5.6
379.24753	2.4
379.32175	1.7
395.25806	3.2
411.25650	10.2
412.25925	2.7
421.25842	3.8
439.24872	100.0
440.25278	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	440.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01370	1.1
61.98835	100.0
68.37389	0.9
81.22841	0.8
87.00877	1.0
98.20658	1.6
114.28330	0.9
123.08232	1.0
124.01723	1.5
125.02473	1.1
139.04044	4.2
140.04337	1.1
141.09235	4.3
142.09544	1.1
153.05617	1.2
207.56035	0.9
223.58545	1.0
229.79070	0.9
368.01376	1.2
377.19662	1.7
413.23544	1.2
439.34631	2.2
440.34576	4.0
441.23077	6.1
441.28174	1.5
441.34439	1.2
448.45395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
58.36754	0.9
59.01381	28.9
61.98842	4.4
67.01881	1.4
68.99804	1.1
69.03461	2.1
71.01388	26.4
71.60188	1.9
72.99335	3.0
73.02967	4.8
75.00885	2.4
79.01920	1.5
79.95764	1.1
81.03485	1.5
83.01402	2.6
85.02950	9.0
87.00881	2.9
89.02451	19.7
95.01381	2.4
96.96001	3.3
97.02963	2.3
99.00878	2.0
101.02454	15.0
107.01393	12.1
107.66934	0.9
109.02969	1.0
111.00883	3.9
113.02451	9.2
117.05570	2.7
119.03512	2.5
123.00913	8.2
125.02459	79.2
126.02814	1.8
130.70688	0.8
131.03534	7.9
133.05086	2.6
137.02402	1.9
139.00337	3.3
140.01115	1.9
141.01901	1.2
149.02499	1.0
149.04559	11.9
149.99617	1.9
150.03204	3.2
151.00371	6.9
151.04007	1.9
161.04585	2.2
165.01869	2.0
165.05603	3.7
168.00627	3.5
169.01437	97.4
170.01768	4.2
180.04230	1.0
191.05620	2.6
195.06628	5.3
211.02441	1.5
214.93472	1.1
231.02898	3.0
238.01234	3.5
241.03549	4.2
247.11880	5.2
261.48254	1.0
267.03244	1.0
275.01868	2.2
276.01974	2.3
277.02698	1.5
299.99051	1.5
300.99887	9.5
302.00153	1.1
313.05640	22.9
325.00189	0.9
339.01477	1.8
340.99371	2.2
348.99960	1.5
367.00894	11.1
368.01230	1.5
379.16095	32.4
379.20996	1.8
380.16296	4.2
395.00461	3.1
438.99005	3.9
439.08783	100.0
439.18646	4.8
440.09106	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	439.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.2
69.59788	5.3
71.01371	2.2
73.02966	1.0
79.95741	1.1
84.11870	0.8
85.02940	1.2
89.02434	2.6
93.03468	2.5
95.01379	1.0
96.96014	2.0
101.02457	2.0
109.03002	0.9
109.29774	0.8
113.02454	1.1
117.05576	2.7
118.98062	0.7
119.03385	0.8
120.99677	0.9
121.02948	4.1
122.03757	7.7
123.00895	1.0
125.02477	7.0
129.41122	0.8
131.03473	1.1
131.07167	0.9
133.02895	1.9
133.05054	0.8
137.02481	5.3
149.02449	21.2
149.04454	1.0
150.03236	54.6
151.00360	1.2
151.03703	3.1
161.02420	1.9
164.04814	4.0
165.01939	29.3
165.05579	55.9
166.02333	1.3
166.05907	3.0
169.01445	4.9
169.91705	0.9
178.99811	1.1
180.04289	27.8
181.04800	1.9
193.05159	1.8
195.06636	100.0
196.06953	6.5
243.08745	3.5
247.11838	1.7
274.01208	1.0
275.01764	2.2
276.01871	1.8
300.99878	2.6
301.07339	1.8
316.09415	1.2
331.11862	9.5
340.99435	0.9
345.30817	0.9
348.99554	0.9
367.00772	4.0
379.16058	1.4
391.13919	15.5
392.09311	0.9
392.14429	2.2
395.00208	1.6
439.07947	6.1
439.15991	4.3
440.16714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88622	0.6
57.03434	0.6
59.01369	1.6
69.59284	3.9
71.01363	0.7
74.11242	0.5
79.95716	1.4
81.26886	0.5
86.25756	0.5
89.02464	0.7
93.03433	1.3
96.96001	5.4
98.20566	1.2
109.03033	0.6
117.05570	0.9
121.02948	2.1
122.00153	0.5
122.03745	7.1
123.04511	1.4
125.02463	4.4
133.02986	1.1
136.01637	1.3
137.02440	3.3
149.02426	12.2
150.03226	60.2
151.03561	3.2
164.04796	2.6
165.00502	1.2
165.01924	25.5
165.05563	68.6
166.02278	1.4
166.05899	3.5
169.01373	2.0
180.04288	21.7
181.04761	2.2
195.06618	100.0
196.06953	6.5
235.24521	0.5
243.08717	1.1
268.94812	0.6
271.04608	1.4
289.07336	0.9
300.99869	0.8
331.11902	0.9
340.99326	1.0
367.01068	1.9
391.13852	1.0
438.99438	1.3
439.11185	4.2
439.16656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.107
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73302	0.2
70.14528	0.8
70.89259	0.2
79.95744	7.0
80.96533	0.2
84.26028	0.2
93.97996	0.1
96.96017	100.0
97.95980	0.4
98.20507	0.2
106.76072	0.2
110.97599	0.4
121.03009	0.4
137.02457	0.5
147.04515	0.2
151.04018	0.3
269.08218	1.9
270.08481	0.3
281.08331	0.2
299.09253	1.3
300.09790	0.4
302.52954	0.2
314.11615	1.7
315.12106	0.4
329.13892	0.2
330.29984	0.2
439.10690	39.6
440.11008	5.5
440.16968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78407	0.7
61.98837	1.3
63.11622	0.7
69.28432	7.6
69.28766	1.7
79.95743	25.2
80.96530	0.8
89.40824	0.7
96.96011	8.4
102.74577	0.8
109.02962	0.9
120.79432	0.7
121.02959	6.5
123.56162	0.7
132.13568	0.7
145.02928	1.4
147.04532	2.6
159.04512	1.4
169.01395	0.7
169.03104	0.9
192.07919	1.6
238.06630	1.1
240.04282	1.6
247.86946	0.7
251.07124	1.0
253.08647	1.2
254.05852	1.5
255.10263	2.6
266.05890	1.0
269.08215	35.1
270.08551	4.0
270.12601	0.8
271.09778	3.0
281.08157	5.4
282.08649	1.2
283.09793	10.5
283.59372	0.8
292.99799	0.8
295.09616	1.1
298.12173	1.9
299.09250	23.0
299.12582	1.4
300.09622	3.2
310.11948	1.7
311.09268	29.2
312.09711	3.3
314.11621	46.7
315.11935	5.9
325.10800	3.8
326.11588	24.1
327.11972	3.1
329.13937	65.9
330.14307	8.0
341.13934	21.3
342.14252	2.3
409.09686	8.2
410.09955	1.2
439.10690	100.0
440.11075	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
69.25900	1.6
69.26318	5.2
71.01396	3.9
71.05019	2.4
79.95742	28.6
83.01413	0.7
85.02968	1.4
85.53651	0.6
95.01396	0.8
95.95247	1.3
96.96014	100.0
101.02465	1.1
101.27291	0.7
110.97563	1.6
117.03473	2.9
117.05586	15.2
117.43053	0.7
119.05003	1.2
125.02449	2.8
136.99161	0.9
141.95779	2.2
145.02956	12.6
145.08728	2.9
146.03302	1.2
161.02348	0.7
163.03973	1.9
167.00160	1.2
169.01387	1.1
179.03549	0.8
229.01440	0.8
245.00806	0.8
259.02640	0.7
275.01895	0.9
299.09180	0.7
300.99869	1.9
367.00739	3.7
395.00241	1.4
424.08255	1.6
438.98630	2.2
439.10712	62.0
439.16058	4.3
440.11075	7.6
440.16449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55017	1.0
56.42801	0.9
57.03445	1.2
59.01144	0.9
59.01382	11.8
61.79766	0.9
61.98820	3.5
68.99782	1.0
69.03442	1.7
70.18132	3.7
71.01384	10.2
72.99304	2.5
73.02988	2.3
75.00866	1.0
79.01914	1.0
79.95735	2.0
81.03471	1.3
83.01399	1.9
85.02946	3.7
89.02441	4.4
89.02948	1.0
93.03468	1.3
95.01388	2.5
96.96010	8.4
97.02930	3.7
99.00887	1.4
101.02406	4.3
107.01388	14.0
109.02935	1.7
111.00876	2.7
111.36453	1.0
113.02448	4.6
117.05566	2.0
117.55496	1.1
119.03489	1.4
121.78327	1.1
122.03715	3.2
123.00892	12.5
123.04572	1.2
124.01653	1.7
125.02454	86.0
126.02791	2.5
127.00372	1.4
131.03503	1.1
137.02446	2.1
139.00351	3.3
140.01149	4.2
141.01953	1.9
149.02425	4.7
149.04582	1.6
150.03236	19.9
151.00386	9.2
151.03937	2.4
153.01921	1.5
161.02487	2.7
164.04781	1.4
165.01938	8.7
165.05576	18.3
167.03473	1.1
168.00584	3.3
169.01431	100.0
170.01779	3.3
175.03989	1.2
179.05685	1.3
180.04280	6.5
189.05594	1.0
195.02936	1.1
195.04781	1.7
195.06631	27.8
196.06976	1.3
211.02409	2.5
241.03473	2.6
243.08786	1.2
247.11923	2.3
250.34268	1.0
268.11298	1.1
271.04547	1.9
288.62445	1.1
300.99780	2.0
313.05640	24.3
314.05844	1.2
325.00061	1.3
339.01535	2.6
340.99225	1.8
367.00983	9.1
379.16144	5.8
395.00351	2.5
401.10471	1.7
403.11884	2.0
438.98981	3.6
439.08713	98.6
440.08902	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	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78727	0.2
62.96410	0.2
63.17709	0.1
69.41116	0.3
69.41531	1.0
74.72013	0.2
78.95914	51.2
79.95761	0.8
80.19926	0.2
86.67429	0.2
96.96033	32.4
96.96974	100.0
97.95950	0.2
100.50494	0.2
102.46629	0.2
114.57533	0.2
180.89052	0.2
182.75998	0.2
265.55347	0.2
314.46640	0.2
341.10934	0.2
439.08472	0.9
464.72067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.9
59.01394	2.0
60.65194	0.4
61.98835	0.8
64.42872	0.4
69.03460	1.0
69.84635	1.6
71.01383	3.8
72.99316	0.7
74.99108	0.5
75.00867	0.5
78.95905	0.6
79.01913	0.4
80.23589	0.4
81.03468	1.3
82.89133	0.3
83.01396	4.2
85.02950	1.3
86.75546	0.4
87.00871	0.8
89.02435	0.8
93.03462	0.5
95.01401	1.6
96.96024	2.8
96.96943	1.2
97.02936	2.1
98.20606	0.8
99.00893	0.8
101.02451	1.8
101.06070	1.1
101.28017	0.4
107.01389	5.7
107.05106	0.4
109.02962	1.4
111.00882	1.9
111.04552	0.5
113.02461	1.7
114.00769	0.4
117.05581	1.7
119.03577	0.4
121.02984	0.4
123.00888	7.3
123.04535	1.9
124.01678	4.7
125.02454	100.0
126.02764	3.4
127.00348	0.5
135.04501	0.5
136.98914	0.5
137.02438	2.3
139.00375	2.6
139.04054	1.0
140.01192	2.0
141.01973	0.6
145.02896	0.6
149.02461	2.1
150.03220	1.7
151.00334	4.9
151.04008	2.4
153.02000	0.6
161.02446	1.4
161.04504	0.5
163.00388	0.7
163.03995	0.6
163.94135	0.5
164.01173	0.8
165.01909	2.8
165.05569	2.6
167.03529	2.4
168.00653	3.3
169.01437	48.7
170.01768	1.8
175.03911	0.5
177.01965	2.3
177.05185	0.4
179.03482	1.2
180.04269	2.0
183.04567	0.5
187.04080	0.5
193.05046	0.4
195.06615	4.0
205.01541	0.7
205.05099	0.5
211.02473	4.7
219.89922	0.4
225.07701	0.8
231.03038	0.6
240.04190	0.4
241.03581	1.7
245.04515	0.5
255.02945	0.7
271.04642	5.6
275.01889	0.5
289.07208	1.5
295.02524	0.6
297.06192	0.5
301.00110	0.8
305.06653	0.6
313.05643	22.2
314.06003	1.9
339.01605	0.5
340.99332	0.8
349.11380	0.5
367.00961	7.1
391.13770	0.5
395.00458	2.5
396.01077	0.5
403.12653	1.0
407.07892	0.5
439.08801	80.8
440.09192	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	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52689	0.4
57.77408	0.4
71.00870	0.9
78.95910	47.6
79.95741	1.6
80.95773	0.5
92.66881	0.4
96.96014	85.7
96.96960	100.0
97.95981	0.5
188.66017	0.4
280.97659	0.5
328.32300	0.4
435.54254	0.4
439.08621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18361	0.4
71.21960	1.1
78.19844	0.5
78.95910	36.0
79.95752	2.6
86.13320	0.5
95.23165	0.6
96.96010	100.0
96.96957	79.3
100.44524	0.5
101.37547	0.6
103.60249	0.5
169.58968	0.5
176.53868	0.5
236.03979	0.5
334.81870	0.6
439.08322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56715	0.4
54.03143	0.4
67.85633	0.4
70.79813	0.8
77.12905	0.4
78.95909	45.5
79.95741	1.8
83.71593	0.4
83.86271	0.5
94.95174	0.4
96.09727	0.4
96.96014	77.8
96.96959	100.0
97.64235	0.4
97.95905	0.5
110.11707	0.4
111.42510	0.4
236.75105	0.5
247.49353	0.4
285.99048	0.4
370.38348	0.4
439.08499	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	438.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98835	100.0
63.03917	0.6
71.61835	1.0
99.04528	0.7
139.04015	1.4
209.17749	0.7
216.00259	0.7
219.13991	0.8
259.20737	0.9
351.70978	0.7
367.00797	3.4
375.21738	10.7
375.25659	2.4
376.22098	1.0
394.64410	0.7
395.00482	1.3
414.29620	0.7
438.29337	2.1
438.99466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35796	1.3
61.98833	100.0
70.59125	4.9
85.02979	1.7
93.91330	1.4
136.03281	1.8
145.85168	1.5
148.54601	1.8
152.29031	1.6
162.54472	1.6
169.75490	1.6
189.34453	1.5
204.57411	1.5
211.44745	1.5
240.55754	1.2
279.23297	2.5
351.25366	7.3
375.00476	1.4
459.88507	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	438.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19663	0.8
61.98834	100.0
86.48592	0.8
88.98827	1.6
89.50780	0.7
89.79975	0.7
125.02508	0.9
144.55582	0.7
147.63132	0.7
159.25488	0.8
198.61566	0.8
248.02602	0.8
278.96033	0.8
282.30887	0.8
288.60516	0.8
367.00793	1.0
439.25098	1.1
439.31189	2.9
444.38562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44392	0.5
60.13291	0.6
61.98834	100.0
70.61757	0.5
71.05061	0.6
76.30994	0.5
88.98833	0.7
91.19988	0.5
99.04568	0.7
112.81454	0.7
125.02489	1.1
139.04111	1.1
171.26601	0.5
179.03639	0.6
199.76830	0.6
226.18666	0.5
259.20673	0.6
367.00897	2.9
375.21790	12.2
375.25623	2.3
376.22079	1.7
394.30664	0.8
395.00549	1.5
395.31891	0.7
438.29233	1.0
438.99796	0.9
439.21036	0.6
439.31677	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	438.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55975	3.0
61.98520	5.6
61.98836	100.0
79.21977	2.6
80.96524	2.7
288.42880	2.7
331.26300	3.6
351.25296	5.5
375.25391	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	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60963	0.6
54.19003	0.7
57.03447	0.8
61.98834	100.0
69.35054	2.8
69.35483	3.8
72.91219	0.9
81.03466	1.3
82.37202	0.6
88.98819	1.9
90.74026	0.7
99.04578	1.4
125.02441	2.0
139.04018	1.2
158.15219	0.9
171.66148	0.7
179.03465	1.0
200.64633	0.7
204.47980	0.7
219.13922	1.4
247.95515	0.8
259.20682	0.9
264.80460	0.7
267.26157	0.7
276.67087	0.8
339.25613	0.7
367.00839	3.5
375.21680	18.9
376.22104	2.6
395.31662	1.1
396.32428	1.0
438.29938	1.2
439.21152	0.8
439.26630	1.3
439.31985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42465	1.1
57.03437	3.9
59.01377	3.9
61.98834	100.0
70.41151	2.6
73.57688	1.2
75.25455	1.3
81.03463	5.6
83.01406	1.7
85.06604	1.9
97.06554	1.3
109.06615	1.5
111.04561	1.6
120.63695	1.1
125.02489	9.9
127.11323	1.5
135.81506	1.3
137.09724	1.7
151.00441	1.6
153.05583	10.9
154.05898	5.3
185.42464	1.2
195.06593	1.7
375.16910	2.9
375.21750	50.7
376.22092	9.0
378.23706	10.3
438.25552	13.3
439.25702	1.9
439.31738	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	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
61.98832	100.0
69.85564	8.1
71.05026	3.7
81.03445	3.3
83.01363	2.1
85.02945	1.6
95.05031	7.2
96.05369	1.8
109.06598	1.9
121.06564	1.7
125.02452	12.4
135.86986	1.6
139.04024	24.2
140.04378	7.1
141.12866	1.6
155.14449	3.2
219.06615	2.1
249.18463	3.0
375.21747	56.3
376.21976	5.6
379.24588	1.8
437.29086	3.9
438.29413	74.5
438.35428	3.8
439.29773	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	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
61.98832	100.0
68.65559	0.8
69.26279	2.4
69.26698	7.0
83.01398	1.0
85.60860	0.9
118.69642	1.0
123.04536	3.8
125.02432	10.4
165.01405	1.1
167.03539	7.5
175.43767	1.0
193.01395	3.6
222.29503	1.2
355.19080	1.1
356.19272	1.2
439.31973	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	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25303	0.8
50.43243	0.8
51.31852	1.1
57.62504	0.9
58.14121	1.0
61.98833	100.0
69.62779	1.0
70.36071	2.9
76.43966	0.8
76.47406	0.9
79.67662	0.8
80.80008	0.9
83.97160	0.8
87.15632	0.9
88.34061	0.9
96.96048	0.8
133.61063	1.0
275.19684	1.2
277.34879	1.0
350.23999	2.1
384.66132	1.0
421.30563	0.9
439.25317	1.6
439.32101	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	438.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	6.7
60.53938	4.0
61.98838	100.0
69.03748	3.6
69.55807	13.0
69.56236	13.4
75.01958	4.4
78.27307	3.5
80.59898	3.8
80.96523	5.7
83.01393	11.4
85.03030	4.4
98.20601	8.7
104.50603	3.9
125.02460	91.6
126.02835	4.0
165.36961	4.2
196.73141	4.4
214.07097	4.6
217.15413	5.0
241.69070	4.4
349.23447	5.6
350.23996	9.7
367.00943	7.0
375.21704	15.2
383.22305	5.3
438.99008	4.8
439.24814	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	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63365	1.4
60.15565	1.2
61.98835	100.0
63.97295	1.2
67.34344	1.4
69.47760	5.2
69.48196	4.5
81.03461	3.1
83.01421	1.4
98.19807	2.8
122.03732	2.2
125.02449	4.3
152.39413	1.3
259.16873	2.6
375.21783	54.5
376.22095	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	438.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
59.54753	0.4
61.98839	100.0
71.01403	0.8
71.61156	0.4
73.02965	0.4
76.41550	0.4
79.95763	1.0
85.02947	0.6
95.01324	0.5
95.95251	0.5
96.96023	5.9
101.02511	0.5
113.02455	0.6
113.96716	0.4
119.30902	0.5
123.00924	0.8
125.02468	2.2
131.18205	0.4
137.02510	0.4
138.67618	0.4
139.04039	0.7
140.04445	0.5
140.82430	0.4
145.02960	0.8
151.00490	0.5
163.03986	0.6
168.00703	0.5
169.01469	1.6
171.48537	0.4
205.07747	1.1
211.13426	0.5
233.07243	1.3
271.02536	0.5
277.06143	1.2
284.09991	0.5
287.01920	0.5
293.12448	0.8
323.99368	0.5
365.99835	0.9
367.01053	1.6
395.00375	0.6
437.98114	0.8
438.22412	1.1
438.99747	0.9
439.06659	1.0
439.16302	5.5
439.23810	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	438.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59767	0.4
59.01392	1.4
61.98838	100.0
64.79659	0.4
68.90128	0.5
69.42908	4.3
78.95913	1.2
79.95764	1.8
81.59708	0.4
85.02946	0.6
90.21677	0.5
95.95284	1.5
96.96020	13.8
105.63377	0.5
106.31665	0.5
123.90111	0.5
125.02483	0.9
135.04529	0.6
139.04056	2.2
140.04378	0.8
146.06213	0.7
152.99605	0.6
153.02930	0.5
153.05618	1.0
169.01517	1.0
180.91678	0.5
205.05121	0.8
211.13472	3.4
225.05542	0.5
227.08368	0.6
241.08662	2.6
284.10220	0.8
302.02267	0.5
316.58408	0.6
358.13690	0.5
365.99988	0.8
367.00864	2.9
395.00650	1.5
409.22595	3.4
437.98236	1.7
438.09222	2.3
438.21582	4.3
438.99417	1.4
439.18237	1.5
439.23892	16.1
440.32092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.5
59.01376	0.5
61.98836	100.0
65.49922	0.4
66.35181	0.4
70.70008	1.1
70.84172	0.4
85.02977	0.7
88.78599	0.4
125.02461	0.7
139.04048	2.3
143.18521	0.5
154.13487	0.4
156.52240	0.4
179.03584	0.8
193.05069	0.5
207.50189	0.4
208.28261	0.4
216.57593	0.4
256.92471	0.5
335.32477	0.4
367.00916	0.9
375.18140	6.4
375.22290	0.7
376.18622	1.2
438.25552	1.3
439.27121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55471	0.4
59.01360	0.4
61.98835	100.0
70.44942	1.5
74.73532	0.4
85.02979	0.9
96.35815	0.5
124.01679	0.5
136.20753	0.4
139.04037	2.5
179.03546	0.6
251.34503	0.4
274.01086	0.5
301.14526	0.6
353.18427	0.7
357.17020	0.8
367.01053	1.2
375.18134	7.6
376.18689	0.8
379.17734	0.5
437.98230	0.9
438.25363	1.0
439.27158	1.5
439.32611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.3
61.98835	100.0
71.60864	1.1
85.02956	1.0
204.46446	1.1
248.44469	1.3
313.80136	0.9
321.00702	1.0
329.73050	1.0
367.00830	3.6
395.00436	1.2
438.99442	1.0
439.25284	1.4
439.30792	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	438.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17886	1.0
54.69860	0.8
59.01371	1.8
59.20379	0.9
61.98833	100.0
69.50613	6.3
78.18790	0.8
81.03442	1.7
85.02956	1.8
85.06602	0.9
94.15565	0.8
95.01398	0.9
101.01241	1.0
111.04534	1.1
123.07206	0.8
124.01646	1.0
125.02479	4.6
125.24242	1.0
139.04036	4.6
151.00304	1.2
153.05595	6.0
154.05952	1.7
179.03571	1.5
357.17041	1.3
367.01041	3.6
375.18097	15.9
375.22272	1.8
376.18350	2.8
395.00571	1.5
403.21429	1.1
438.25760	12.1
439.26871	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	438.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30463	0.4
51.30751	0.4
58.35984	0.5
59.01384	12.3
61.98847	0.8
69.61423	3.3
71.01385	1.7
71.05031	1.4
73.02950	0.9
79.95749	2.1
85.02964	1.1
85.30683	0.6
92.05066	4.1
95.95248	1.2
96.96020	19.2
99.00900	0.9
101.02499	0.8
102.03503	1.6
106.69798	0.6
110.02505	1.3
110.97629	0.7
113.02470	1.1
117.05590	15.6
118.02996	1.2
118.05920	0.6
120.04587	2.3
125.02438	1.4
128.30574	0.5
128.61267	0.5
129.01950	0.7
132.04521	0.6
135.04547	0.6
144.04538	0.8
145.02950	1.1
146.02478	5.0
147.03165	2.7
147.04373	0.9
148.04083	4.4
160.03996	0.6
165.04079	0.7
169.01445	0.7
174.01996	3.1
175.02756	50.2
176.03539	100.0
177.03879	6.1
179.03560	0.6
186.05595	1.0
187.04022	0.6
188.03529	1.6
195.06699	0.6
196.06912	0.6
211.13391	2.0
218.04474	0.6
274.46014	0.5
295.37006	0.6
298.24121	0.5
314.11490	0.6
320.07767	5.7
338.08862	6.0
359.17136	3.3
365.99295	0.6
367.00873	1.0
380.09973	1.5
409.09399	0.9
420.12747	0.6
438.14069	57.2
439.10529	5.5
439.14813	4.9
439.21417	0.9
439.22430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13624	0.5
61.98823	0.5
69.25983	5.1
71.05025	15.2
79.95744	3.9
92.05071	4.9
96.96020	46.1
98.19932	1.2
99.04546	0.6
102.03497	1.2
102.64545	0.4
110.97618	0.5
116.05087	0.5
117.05589	55.5
118.03020	1.2
118.05931	1.8
120.04576	2.8
121.02953	0.6
136.01651	0.8
143.23573	0.5
144.04599	1.4
146.02483	5.6
147.03233	1.9
147.04407	0.5
148.04065	5.4
151.04016	1.0
158.06126	0.7
174.02010	2.6
174.05614	0.7
175.01195	1.1
175.02756	40.6
176.03539	100.0
177.03896	6.1
186.05695	0.8
202.05075	0.7
218.04633	0.9
263.31500	0.5
269.08304	1.1
314.11511	1.3
320.07767	9.1
321.08066	0.6
438.14081	50.3
439.10056	17.4
439.15460	1.7
456.54562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Malonganenone D
Peak:m/z	Relative Intensity
55.01889	0.4
57.03460	2.4
59.01371	0.5
61.98824	1.3
65.00337	0.4
69.59798	1.8
69.60203	0.9
71.05029	5.4
73.02965	0.5
74.91505	0.3
79.01890	1.9
83.05022	0.6
85.02948	1.0
87.00842	0.5
93.03504	0.8
95.05034	10.2
97.02962	2.6
97.06619	1.6
107.44239	0.4
109.06594	0.4
113.02456	0.9
121.02937	1.3
121.06593	1.1
122.03767	0.6
123.04555	0.4
123.08154	0.9
125.02374	0.4
125.09740	0.7
135.04495	0.5
137.06079	0.4
139.04022	35.6
140.04372	1.4
141.12881	4.2
153.05533	0.6
155.14403	0.7
165.01884	1.4
169.12343	0.7
171.13882	1.9
179.14423	0.5
194.29373	0.4
207.13829	0.4
219.13930	0.4
221.15601	0.8
231.48499	0.3
246.78662	0.3
249.14944	1.0
297.24493	0.6
337.27451	0.7
349.27374	0.4
357.28110	0.6
375.29080	0.4
376.29529	0.4
377.23279	0.8
391.28479	0.9
393.30121	1.2
394.30719	0.4
409.20078	0.5
437.29068	100.0
438.29407	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	438.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98829	9.5
69.47623	4.3
69.48054	5.3
71.01389	4.0
73.02930	1.5
78.95908	3.3
79.24333	1.2
83.01410	1.6
84.86910	1.2
85.02954	4.0
95.01381	2.0
96.96018	6.9
96.96957	6.5
97.09304	1.1
101.02444	4.5
109.02929	1.3
111.00889	3.8
113.02451	3.2
117.05579	1.9
123.00900	11.1
125.02456	15.5
139.00371	4.8
140.01146	4.0
141.01959	2.0
151.00380	12.1
152.07884	1.2
163.04021	1.4
168.00641	2.5
169.01453	22.8
177.34503	1.3
181.96793	1.1
195.06604	2.4
217.01379	1.3
227.13696	1.3
229.01483	1.8
245.00812	1.2
247.02463	1.5
248.02798	2.2
275.01892	2.5
300.99887	4.5
313.05643	1.4
324.35678	1.3
367.00500	1.3
375.09332	100.0
376.02530	1.8
376.09726	11.8
382.02451	2.0
390.53027	1.9
438.03015	4.9
439.08774	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	437.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03447	1.4
58.00585	0.4
58.96654	0.3
59.01371	0.6
61.98833	5.8
65.00332	0.4
71.05030	4.6
71.61295	0.3
71.61754	0.3
73.02954	0.7
79.01910	1.9
79.16525	0.3
81.03471	0.7
83.05042	0.8
85.02948	0.3
88.37880	0.3
91.08099	0.3
93.03471	0.4
95.01402	0.4
95.05038	11.0
97.02962	3.3
97.06591	1.8
109.06598	0.5
111.08195	0.6
121.02966	1.3
121.06622	0.5
122.03720	0.4
123.08183	0.9
124.01685	2.1
125.02470	1.2
126.32655	0.3
135.04570	0.4
138.03253	0.4
139.04027	38.7
139.11320	0.4
140.04378	2.0
141.12868	5.1
151.00470	0.4
152.01192	1.1
160.76602	0.4
165.01985	1.6
169.12349	0.5
171.13919	2.8
179.03545	1.3
179.14403	0.6
203.14539	0.4
249.15013	0.8
279.16217	0.5
297.24295	1.0
303.97333	0.4
337.27383	0.9
349.22833	0.9
349.27271	0.4
351.29172	0.5
364.99545	0.7
375.21829	3.3
375.29349	0.5
391.28436	0.5
393.30197	2.5
394.30121	0.4
419.28018	0.7
437.29102	100.0
438.29446	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
58.00599	0.4
59.01383	0.6
59.25415	0.2
61.98831	0.7
62.80828	0.2
65.00333	0.5
68.30167	0.2
69.03458	0.3
69.61428	1.6
71.05032	5.2
73.02927	0.6
77.03973	0.3
79.01897	1.7
81.03488	0.2
83.01385	0.2
83.05038	0.9
85.02965	0.4
89.24300	0.2
93.03484	0.6
95.05038	10.3
96.05338	0.4
97.02963	4.0
97.06583	1.3
97.69327	0.2
103.23275	0.3
107.05070	0.3
109.02966	0.4
109.06557	0.4
113.02452	0.4
113.06158	0.3
121.02970	1.2
121.06611	1.0
122.03697	0.5
123.08187	1.0
125.09740	0.5
135.04593	0.5
135.08171	0.4
136.05305	0.5
139.04024	36.0
139.11311	0.4
140.04369	1.5
141.12865	4.4
153.12859	0.4
162.03302	0.3
165.01910	1.3
169.12404	1.1
170.76724	0.2
171.13948	1.9
179.14386	0.3
185.15428	0.4
203.14412	0.4
207.13965	0.5
219.13855	0.3
221.15471	0.7
249.15007	1.3
279.16147	0.4
279.23499	0.3
279.30920	0.2
297.24319	0.5
337.27356	0.6
349.27609	0.5
351.29187	0.3
357.28131	0.5
375.28995	0.8
391.28687	1.2
393.29861	1.3
409.20090	0.3
419.28125	0.4
437.29117	100.0
438.29459	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2547
Annotation	(-)-Fusicoplagin A
Peak:m/z	Relative Intensity
50.12262	0.7
54.14694	0.6
55.01887	2.2
57.03460	3.4
59.01387	17.9
61.98838	47.9
62.10006	0.6
66.79233	0.7
69.03467	1.6
71.05033	1.4
71.61759	1.3
73.03004	0.7
75.81731	0.7
79.01917	2.9
81.03464	2.8
83.05051	1.4
85.02980	1.1
85.06598	11.4
91.05571	0.8
95.05029	2.0
96.60020	0.6
97.02972	3.9
107.05035	1.2
109.06611	6.9
111.04527	14.1
123.04500	0.7
125.02489	4.5
127.11340	0.7
133.06676	0.8
135.04552	4.8
135.08179	1.0
136.05298	1.2
136.11961	0.6
137.06116	0.7
137.09662	1.2
139.03998	1.2
149.06165	0.8
151.04025	2.4
151.07692	3.4
152.04808	1.5
153.05586	100.0
154.05905	3.4
165.05582	2.6
169.16037	0.9
175.51740	0.7
179.03513	4.1
179.07210	3.3
179.08554	0.6
179.10840	1.0
180.04211	1.3
191.10776	1.4
192.04309	0.9
193.05075	1.1
194.05858	0.9
195.06615	10.8
196.06981	0.9
205.08757	1.6
207.06624	6.9
219.13887	0.9
223.20578	1.1
224.39877	0.7
256.63058	0.7
279.23166	1.5
293.25101	1.0
331.22815	1.2
333.24512	1.2
341.21194	1.5
351.29025	2.0
359.22122	3.0
364.99280	1.7
365.30521	1.0
375.21793	21.2
377.23352	64.9
378.23715	10.1
393.30090	12.7
394.30310	2.5
395.24222	1.4
436.97726	1.7
437.25308	85.6
438.25739	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	437.2547
Annotation	Tritoniopsin B
Peak:m/z	Relative Intensity
57.03454	7.1
58.00583	0.5
59.01381	2.0
61.98832	2.5
62.08274	0.3
65.00337	1.0
69.03471	0.6
69.44305	3.3
73.02961	0.5
80.02628	0.3
81.03461	9.2
83.01391	2.9
83.05035	0.8
85.02953	1.1
85.06558	0.6
87.00931	0.4
95.01382	0.6
95.04973	0.5
97.03004	0.4
98.20576	0.6
99.04516	1.5
99.08155	2.8
107.01402	0.6
109.06569	1.2
121.02969	0.5
122.03716	0.7
124.01685	0.8
125.02452	64.9
125.09741	0.5
126.02776	2.5
127.07651	0.7
127.11280	1.1
129.09247	2.5
139.04008	1.5
139.11304	2.8
148.00648	0.4
151.00383	1.4
151.11247	0.5
152.01175	0.7
153.05580	2.8
153.12909	0.6
155.10910	0.4
166.02754	1.1
167.03642	0.4
169.12326	0.5
179.03531	0.6
179.14459	0.5
181.12430	0.5
183.13893	0.4
191.14424	0.4
197.15268	0.5
199.13252	0.5
203.14423	0.4
209.15506	1.7
211.13367	0.7
221.15582	0.4
233.15460	0.5
263.16562	1.3
265.14417	0.7
275.16461	0.6
293.13928	0.9
307.15546	1.0
309.13358	0.7
321.00107	0.5
337.24091	0.4
350.35846	0.4
364.99454	0.9
377.19556	0.4
436.97852	1.4
437.25446	100.0
438.25781	17.0
444.49521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2544
Annotation	Dendronpholide H
Peak:m/z	Relative Intensity
57.03450	4.8
58.51776	0.3
59.01390	1.0
61.98835	18.2
62.53118	0.4
65.00326	1.3
69.03465	0.8
71.05015	0.7
71.61278	0.6
71.79176	0.4
73.02968	0.4
74.23833	0.4
76.39159	0.4
78.01644	0.3
79.14328	0.4
81.03465	10.9
83.01390	3.1
83.05031	1.9
85.02968	1.9
85.06595	0.6
87.00902	0.5
91.44142	0.4
94.39252	0.4
95.01384	0.8
95.05046	1.1
96.96020	0.4
97.02985	0.5
97.06596	1.1
97.88515	0.4
99.04497	0.6
99.08184	3.5
99.94178	0.4
105.21286	0.3
107.01407	1.2
107.05043	0.9
109.06573	0.9
111.04515	0.6
119.92004	0.3
121.02946	0.4
121.10229	0.9
122.03706	0.8
123.00868	0.4
123.04581	0.4
124.01641	0.8
125.02457	41.0
125.09738	0.5
126.02796	1.6
127.11288	1.0
135.04617	0.3
137.09700	0.5
139.04024	1.2
139.11308	4.6
141.27687	0.4
151.00307	1.9
151.11292	0.7
152.01117	0.5
153.05580	3.5
153.09152	0.4
154.05901	0.5
155.10744	0.6
157.12343	0.9
165.12918	0.4
166.02719	1.1
169.12360	1.3
171.10207	0.6
179.03474	1.1
184.98222	0.4
186.47969	0.4
193.12375	0.7
209.15532	1.0
211.13428	0.5
215.14395	0.4
233.15492	1.3
235.09727	0.5
235.13330	2.3
237.01891	0.4
247.16975	1.1
275.16495	2.4
279.12283	2.3
293.17590	0.7
321.00302	0.7
337.16571	0.6
337.23792	0.7
364.99448	2.0
375.18219	1.5
377.23676	0.6
395.24747	0.6
419.23917	0.5
436.97858	1.6
437.25479	100.0
438.25797	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	437.2183
Annotation	Incaspitolide A
Peak:m/z	Relative Intensity
55.01878	0.7
57.03453	1.3
59.01389	1.7
64.91119	0.5
69.03447	0.5
71.01405	2.4
71.05029	4.6
71.38245	0.7
73.02956	1.8
79.01933	0.4
81.03462	0.9
83.01411	0.8
84.02183	0.6
85.02961	4.7
95.01385	1.0
95.05040	3.3
96.96020	1.0
97.02979	2.6
101.02464	1.6
109.02961	0.9
113.02450	0.7
121.03019	0.7
124.01675	14.4
124.02585	0.8
125.02486	2.3
137.02477	2.9
138.03204	1.6
139.04024	100.0
140.04369	3.9
151.00349	0.7
152.01144	3.3
165.01942	11.8
166.02721	6.3
179.03481	2.3
180.04288	1.8
193.05086	4.9
194.05649	0.7
198.01669	0.7
201.12881	0.6
207.06659	1.5
221.08138	1.5
222.08931	1.0
226.04951	0.5
233.15475	1.8
244.59119	0.4
261.11319	1.5
276.13690	0.9
277.14423	3.4
305.19714	2.8
306.19824	0.5
363.18094	1.5
364.99573	0.6
393.22742	0.6
437.21783	84.1
438.22153	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	437.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84674	1.3
58.02441	1.1
59.01389	2.5
60.99308	14.1
61.98820	1.4
68.05919	1.2
69.60208	4.4
69.60615	3.1
71.05016	1.4
85.02959	3.5
88.98818	100.0
89.99133	1.2
93.96115	1.1
97.32626	1.1
99.04520	2.1
125.02489	1.5
289.78061	1.2
321.00281	1.7
336.99756	1.4
337.23798	1.6
347.18784	10.7
348.19135	2.4
364.99301	3.5
377.23022	1.1
393.26636	1.4
395.31577	1.2
436.97595	5.8
437.25204	8.8
437.30972	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	437.2184
Annotation	CHEBI:67675
Peak:m/z	Relative Intensity
57.03460	1.8
59.01376	1.7
65.00350	0.7
69.03477	1.4
69.32797	2.5
69.33220	2.6
71.01397	1.9
71.05020	5.4
73.02950	1.4
81.03462	0.7
83.05048	1.5
85.02973	4.8
95.05034	7.9
96.96008	4.5
97.02959	4.3
98.20634	1.5
105.10968	0.7
109.02962	0.8
123.00848	0.6
124.01680	15.5
125.02467	1.8
135.04536	1.1
137.02454	2.9
137.09624	0.6
138.03264	1.0
139.04030	100.0
140.04362	3.7
152.01224	2.9
152.66127	0.6
165.01949	10.5
166.02736	5.9
179.03523	2.6
180.04225	1.0
193.05067	4.5
194.05771	0.7
207.06648	1.1
221.08154	1.4
233.15503	2.1
261.11224	1.6
277.14429	3.4
305.13739	0.9
336.99811	0.8
363.18472	0.7
364.99365	1.7
436.97751	1.4
437.21799	87.4
438.22153	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	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05872	0.5
59.01384	6.1
60.08794	0.4
61.98846	1.2
69.34325	2.4
69.34756	1.8
71.01384	1.3
71.05031	2.2
73.02955	0.5
74.99090	1.2
85.02938	1.1
87.00851	0.8
89.02460	0.6
93.03495	0.6
96.96037	1.1
99.00876	0.7
99.04535	0.6
101.02445	1.2
101.06164	0.5
102.51397	0.5
109.02949	1.3
111.02039	0.6
113.02557	1.1
117.05580	16.4
118.05955	0.6
119.03506	0.8
123.00876	0.8
125.02486	2.2
136.99150	0.9
137.02426	1.1
145.03033	0.6
147.04567	0.9
149.02431	0.7
151.04044	0.8
161.02464	1.6
161.04475	0.7
167.03540	1.5
169.01428	1.6
173.02429	1.3
174.03232	0.8
175.04057	1.2
177.01907	0.7
179.03525	0.7
185.02394	1.4
187.03918	0.5
189.01938	3.1
190.02744	11.7
191.03424	1.6
193.05070	1.6
200.01105	0.9
201.01933	3.3
202.02739	2.5
203.03555	2.6
205.01447	1.0
213.02039	0.5
217.01395	1.4
218.02235	10.7
219.02899	1.9
221.12094	0.7
222.01773	1.6
228.00710	3.4
229.01407	8.9
230.02010	1.1
231.02988	1.4
231.99879	0.6
245.00945	1.9
246.01631	2.1
247.02510	1.4
257.00916	14.7
258.01559	4.1
273.00424	1.4
274.01208	56.3
275.01968	82.7
276.02310	7.1
289.07138	1.1
300.99872	0.6
317.06564	0.7
321.00235	0.9
336.99982	0.9
347.07758	3.2
364.99316	3.0
392.98871	0.9
393.19327	0.5
401.10678	0.7
401.18188	2.1
436.97672	4.8
437.07224	100.0
437.15689	7.9
438.07565	12.5
438.16388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14235	0.4
58.16803	0.4
59.01478	2.5
62.26515	0.4
69.95850	1.4
69.96260	1.0
71.01148	0.5
71.01480	1.4
72.07155	0.5
72.19388	0.5
76.85761	0.5
79.95819	0.6
86.82959	0.5
87.00967	0.5
89.02540	0.6
94.52741	0.4
95.01458	0.8
96.96134	3.2
98.20521	0.8
101.02520	0.9
106.04355	0.8
107.01489	1.3
111.00992	1.2
112.65966	0.5
113.02531	1.0
117.05704	1.7
123.00910	2.5
123.04541	6.6
125.02458	7.4
126.02863	0.5
133.03070	0.7
135.04636	0.7
137.02515	0.6
139.00482	1.1
141.02055	0.5
145.03023	0.7
146.03810	0.5
147.04605	0.6
149.02440	0.6
151.00494	1.7
153.02061	0.8
159.04645	0.6
161.02501	0.8
163.04100	0.7
169.01454	9.3
169.02779	0.7
173.02515	1.1
174.03368	1.0
175.04057	1.0
177.01921	0.6
189.01991	4.9
190.02733	16.2
191.03343	1.1
192.26129	0.5
193.01588	0.7
193.05258	0.8
198.18643	0.5
200.01268	0.5
201.02072	1.9
202.02740	4.5
203.03519	2.2
205.01413	1.0
213.01994	0.9
217.01515	1.8
218.02222	13.9
218.04198	1.0
219.02748	1.2
221.11961	0.7
222.01840	2.0
228.00655	5.3
229.01399	7.5
230.01997	1.6
230.99399	0.6
231.03076	1.2
245.00926	2.5
246.01648	3.3
247.02356	1.5
256.00192	2.2
257.00916	14.3
258.01645	2.7
273.00446	2.8
274.01205	100.0
275.01932	58.5
276.02283	4.9
296.35342	0.5
301.00015	0.8
313.05618	1.4
321.00452	0.7
336.99710	0.9
358.01419	0.5
364.99161	1.8
393.08102	0.5
437.06903	84.2
438.02020	1.1
438.07202	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	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47125	0.3
57.08974	0.3
59.01385	1.1
71.01398	0.4
73.46711	0.3
74.99100	2.6
79.19189	0.3
82.83766	0.3
96.96026	1.0
117.05583	1.6
133.02921	0.3
134.03732	0.4
136.01720	0.3
136.99149	3.6
137.02437	0.6
139.04045	0.4
143.82553	0.3
145.02969	0.3
147.04510	0.8
153.05524	0.3
157.03064	0.4
159.04489	0.4
161.02452	1.0
161.30162	0.3
163.03998	0.5
166.51167	0.3
173.02470	0.4
175.04036	1.2
179.03584	0.5
180.04265	0.3
181.02950	0.3
181.05138	0.4
185.02469	0.9
189.01939	0.8
190.02722	2.0
191.03503	1.0
193.05052	9.0
194.05441	1.7
195.05705	1.2
197.02391	0.4
201.01939	2.6
201.11382	0.7
202.02628	0.9
203.03481	4.3
204.03838	0.5
205.01413	0.6
213.01985	0.4
217.01456	0.4
218.02145	1.7
219.02893	1.8
228.00510	0.4
229.01424	9.6
230.01944	0.7
231.02962	1.6
237.01923	0.3
245.00929	0.7
246.01501	0.6
247.02472	1.0
257.00919	11.6
258.01593	4.6
259.02136	0.3
274.01212	8.7
275.01974	100.0
276.02316	8.6
309.00464	0.6
321.00381	1.3
336.99991	0.8
349.00037	0.9
349.19885	0.3
355.10565	0.6
357.10928	0.5
364.99347	3.2
392.98660	0.4
436.98224	4.5
437.07172	16.6
437.16949	0.5
437.98389	0.8
438.07507	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	437.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
61.98827	1.6
66.82869	0.5
69.59914	1.2
69.60322	2.3
70.88475	0.4
71.01375	2.3
73.02962	0.8
74.99090	0.9
79.95779	0.6
83.01394	0.5
85.02974	1.3
89.02444	1.1
96.96038	1.0
99.00868	0.7
101.02443	1.9
101.06097	2.3
104.58227	0.5
109.02939	1.9
113.02432	0.9
117.05598	2.4
120.99628	0.6
121.02993	0.6
123.00842	1.0
125.02450	2.3
133.02928	0.9
136.01563	0.5
136.99026	0.6
137.02455	0.8
138.03178	0.5
145.03001	0.5
151.00432	0.6
152.01122	1.5
153.01936	2.6
154.72026	0.5
157.08687	1.2
161.02432	1.4
165.01917	1.1
166.02721	0.6
167.03458	1.2
168.00616	0.7
169.01442	2.8
175.03929	0.8
177.02002	0.9
179.03473	1.5
181.02940	0.5
181.05168	0.8
181.82887	0.4
189.01918	4.3
190.02711	19.4
191.03128	0.9
191.05675	0.8
193.03136	1.0
193.05049	3.5
194.05467	0.6
195.05449	0.8
200.01140	1.5
201.01878	1.3
201.11380	0.6
202.02748	5.1
203.03348	0.7
205.01443	0.9
209.08365	0.5
211.02484	1.3
217.01379	1.4
218.00075	1.0
218.02205	20.1
219.02650	1.6
222.01764	2.6
228.00670	4.6
229.01392	4.1
230.02031	0.9
233.04506	0.8
237.01913	0.7
245.01010	3.1
246.01662	4.0
247.02405	0.8
256.00177	2.8
257.00937	8.6
258.01456	1.4
265.01563	0.7
271.04657	2.9
273.00366	2.0
274.01193	100.0
275.01804	16.0
276.02301	0.7
281.00845	0.9
293.00983	0.5
300.99530	0.6
303.08630	1.3
309.00378	1.3
321.00327	2.7
323.13330	0.5
336.99881	2.0
345.13266	0.6
349.00043	0.7
355.10928	0.5
364.99356	7.7
365.99484	0.8
392.98843	1.4
401.10791	3.6
402.10947	0.5
436.98428	11.0
437.07227	94.9
437.98065	1.1
438.07602	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	436.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56462	2.0
59.01383	27.5
60.01734	2.9
61.01812	4.4
61.98837	100.0
67.96271	2.4
71.01388	8.9
71.60956	3.3
73.02953	2.3
79.95757	5.5
82.98610	2.6
85.02975	2.6
85.53831	2.8
89.02476	2.8
96.96034	10.5
98.81006	2.8
101.02445	3.5
101.06055	3.1
107.01373	3.3
111.00879	2.6
113.02450	3.7
125.02473	10.3
131.07188	4.7
135.88506	2.4
142.06650	35.0
153.01894	5.7
167.03523	3.7
169.01392	11.0
175.02760	6.3
176.03537	8.0
222.02324	24.0
241.60477	2.5
266.01276	2.6
281.00858	2.7
303.03586	2.4
316.09131	5.5
321.00424	7.1
360.09558	5.1
364.99319	17.6
436.03146	6.6
436.12952	6.6
436.30777	3.6
436.97815	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.34502	1.0
69.85681	2.3
69.86100	3.4
79.87319	1.0
95.05022	2.0
98.20585	1.1
139.04030	2.6
145.26872	1.0
173.03754	1.1
177.58116	1.2
190.32707	1.0
198.04208	1.0
287.01987	1.2
329.24866	2.8
334.29779	1.1
373.23868	19.8
374.24057	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	436.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16871	1.5
59.01383	1.8
61.98837	100.0
75.41441	1.5
78.95901	2.3
152.99583	5.9
175.61279	1.6
206.15942	1.8
210.99207	1.6
283.62054	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	437.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93559	1.0
57.68955	1.1
58.22360	1.2
59.01361	1.6
61.98833	1.1
62.99694	1.1
69.77406	2.5
69.77818	3.4
70.63738	1.1
71.01387	2.4
82.57960	1.1
105.01933	6.1
113.02439	1.4
117.03452	2.7
117.05579	4.3
119.05025	2.8
121.02953	1.9
123.00889	2.8
125.02451	2.5
131.05022	2.2
133.02890	1.9
135.04526	7.0
145.01392	2.6
145.02963	6.7
147.04504	6.0
149.02393	3.3
157.03012	2.3
159.04504	3.7
161.02444	4.2
163.04022	12.7
169.01389	1.8
173.02463	4.2
174.03169	1.9
175.03984	6.7
187.03876	1.8
189.01942	6.8
190.02687	5.5
191.03476	2.0
201.01877	6.2
203.03548	7.1
213.01831	2.1
216.00612	1.5
217.01387	5.0
219.03014	6.7
229.01367	4.4
230.02150	2.7
231.02975	9.4
242.02213	1.2
244.00130	3.9
245.00894	14.0
246.01715	10.3
247.02480	100.0
248.02824	6.5
257.01007	2.2
258.01648	1.5
259.02478	6.3
259.04758	1.1
260.03247	1.1
270.98883	4.7
271.99310	1.3
273.00418	28.4
274.01031	7.5
275.01913	4.3
285.00412	3.4
286.01175	2.5
287.01932	6.2
291.01480	70.1
292.01752	3.6
298.98450	5.6
299.01492	1.7
299.98929	1.8
300.99860	4.0
302.00308	1.8
303.01401	3.4
312.99878	4.8
314.00366	1.3
315.01160	1.4
316.99432	2.3
328.99231	2.3
330.00067	1.6
331.00925	3.4
347.00485	11.4
349.02255	1.3
355.00824	1.6
359.00308	5.1
375.09387	10.0
377.01611	4.1
383.00418	3.0
389.01141	1.7
401.01535	2.1
419.02591	27.6
420.03073	2.9
437.03540	93.8
437.13205	3.1
438.03864	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	436.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68453	0.9
50.86771	0.8
57.03457	1.5
59.01376	1.2
61.06532	0.9
61.98836	100.0
64.33992	1.0
70.35009	0.9
75.75980	1.0
81.03459	1.5
82.06097	0.9
83.05051	1.3
85.02973	1.4
87.00881	1.2
98.20650	1.8
99.08182	1.1
123.00923	1.4
124.01683	1.1
125.02458	6.3
127.04055	1.2
132.26678	1.0
139.04053	2.6
151.03976	1.4
152.01239	1.3
153.05447	1.1
166.02725	1.4
179.03526	1.9
220.20747	1.0
221.08232	1.1
259.16977	1.4
261.11292	2.2
349.27841	1.2
364.99292	2.8
373.20206	40.3
374.20496	7.8
377.23666	1.1
393.26437	1.4
419.24548	3.5
436.28543	7.6
436.97940	2.0
437.24667	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	436.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16858	1.2
59.01382	1.7
61.98835	100.0
64.33200	1.0
71.60286	1.4
81.03470	1.6
85.02940	1.0
95.01366	1.6
105.42337	1.1
109.03033	0.9
119.14921	0.9
123.04525	1.8
123.64099	0.9
124.01664	1.7
125.02478	5.6
127.04049	1.3
136.80602	1.0
139.04031	2.9
151.00404	1.3
152.98494	1.2
153.05623	1.6
166.02736	1.7
167.03452	2.4
179.03491	2.6
232.56151	1.0
235.09808	1.1
259.70905	1.1
275.12949	3.0
364.99316	1.9
373.20197	44.8
374.20432	6.0
419.24030	2.5
436.97946	2.6
437.24536	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	436.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11400	1.3
53.60689	1.1
55.15329	1.1
59.01373	4.4
61.67435	1.3
61.98833	17.1
69.85471	5.1
71.01373	3.0
71.41665	1.1
83.01393	1.4
83.78568	1.4
85.02905	1.9
98.20638	1.4
101.02456	2.9
111.00903	2.0
111.43152	1.2
113.92002	1.2
123.00884	12.0
123.04577	1.6
124.01712	1.7
125.02464	9.2
136.98776	1.8
139.00363	3.5
140.01208	2.7
151.00363	10.0
168.00632	3.4
169.01402	10.7
180.78020	1.2
193.05037	2.4
193.62640	1.1
228.45284	1.2
242.74821	1.1
335.98538	1.3
364.99265	2.0
373.11380	100.0
374.11728	11.1
436.97998	2.1
437.11374	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	436.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33247	0.4
57.03455	1.6
59.01385	3.0
61.98836	100.0
69.03447	0.5
70.76294	0.9
70.76649	0.5
71.26250	0.5
81.03457	2.0
82.03831	0.8
83.01396	1.0
85.02947	2.0
85.06609	1.5
86.03268	0.6
92.31625	0.4
95.01443	0.5
96.96005	1.1
97.02985	1.0
97.06614	0.9
98.06990	0.4
103.21351	0.5
109.02935	0.4
110.06976	0.5
111.04533	0.7
124.01696	0.5
124.05364	0.5
125.02467	10.2
126.02806	3.3
126.20541	0.4
137.09770	0.4
139.04030	2.2
151.00392	0.9
151.28722	0.4
151.36336	0.4
152.01189	0.7
153.05586	8.2
154.05942	4.3
165.01958	1.0
166.02690	1.0
167.03140	0.6
179.03531	1.1
179.07164	1.3
180.04095	0.9
207.06586	0.4
237.01939	0.4
276.16635	0.5
279.12430	0.7
280.12756	0.9
321.00412	0.6
329.83975	0.4
364.99362	1.2
373.16537	2.1
435.23941	3.9
436.24252	42.4
436.97757	1.4
437.25018	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	436.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.2
61.98839	100.0
70.18298	4.1
70.18694	4.6
71.05029	5.6
80.65268	1.8
81.03459	3.5
98.27112	1.9
125.02467	5.6
126.85900	2.1
145.82573	2.2
166.05850	2.0
173.49123	1.9
279.29178	2.0
286.26712	2.2
316.13849	2.5
326.65359	2.2
373.20193	52.0
374.20435	6.8
387.31583	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3116
Annotation	Certonardosterol B3
Peak:m/z	Relative Intensity
50.59196	0.6
53.65482	0.5
54.02882	0.5
54.04878	0.5
54.42575	0.5
57.03432	1.2
58.74864	0.6
59.01376	1.4
64.34648	0.6
70.16837	1.5
71.05041	4.1
75.52273	0.5
83.01415	0.9
83.05030	1.5
84.69154	0.6
85.02490	0.6
85.02941	3.0
97.02963	1.3
97.06587	1.3
99.04530	4.1
107.05047	2.0
109.02954	6.6
111.04553	1.3
121.03000	0.5
122.03716	1.1
123.04520	3.0
125.02482	1.0
125.06073	2.0
127.04028	7.7
130.16447	0.6
134.82140	0.6
135.00903	1.1
136.05249	0.9
137.02394	0.8
149.02461	1.6
151.04045	4.9
152.04781	1.2
153.01958	1.2
153.05594	1.8
154.02702	0.7
163.04050	0.7
164.04842	0.8
167.03568	1.4
177.01894	1.4
177.05640	0.6
178.02766	1.2
180.00546	0.5
182.02200	1.2
191.03539	0.8
247.65807	0.7
281.28622	1.1
283.26404	1.3
291.26788	2.6
307.26520	5.6
307.29785	1.1
319.30145	0.6
331.30057	0.7
335.29556	1.1
347.29593	0.9
349.30957	0.7
353.08127	0.5
373.31180	2.1
375.29089	7.9
376.29611	2.2
379.28552	5.8
389.30536	7.0
390.31076	1.0
391.32220	2.2
393.30215	1.4
399.29056	0.7
417.30127	29.6
418.30438	4.4
420.28946	2.6
435.31165	100.0
436.31494	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	435.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26994	0.4
56.36064	0.4
57.03446	1.9
58.00581	0.9
59.01366	1.0
61.98823	1.0
69.03471	0.6
70.35809	1.5
71.05026	7.2
73.02947	2.7
77.65807	0.4
79.01908	2.2
81.03429	0.6
83.01411	0.5
83.05012	0.9
83.14231	0.4
84.16257	0.4
85.02945	1.1
93.20439	0.5
95.05039	13.9
96.05418	0.5
97.02946	4.3
97.06609	2.4
109.02933	0.4
111.04529	0.6
113.06122	0.5
121.02952	0.9
121.06600	1.6
123.08173	0.9
124.01648	0.5
125.02431	0.5
125.09726	1.4
125.69205	0.4
135.04536	0.4
137.09697	0.7
139.04022	45.8
140.04317	2.5
149.09691	0.5
151.11256	0.4
155.10785	0.6
162.03296	0.4
165.01926	1.9
165.09189	0.6
166.02776	0.5
207.13850	0.5
219.13884	0.5
224.02657	0.5
224.10190	0.4
233.15361	0.4
237.15059	0.7
249.14977	0.9
279.15994	3.9
293.25095	0.5
299.46964	0.5
305.13922	0.9
306.54391	0.4
307.15674	0.7
323.15042	2.2
345.20358	0.6
346.21078	0.6
347.21945	2.5
391.28229	0.5
417.22205	0.7
422.21072	0.4
435.27505	100.0
436.27859	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26994	0.4
56.36064	0.4
57.03446	1.9
58.00581	0.9
59.01366	1.0
61.98823	1.0
69.03471	0.6
70.35809	1.5
71.05026	7.2
73.02947	2.7
77.65807	0.4
79.01908	2.2
81.03429	0.6
83.01411	0.5
83.05012	0.9
83.14231	0.4
84.16257	0.4
85.02945	1.1
93.20439	0.5
95.05039	13.9
96.05418	0.5
97.02946	4.3
97.06609	2.4
109.02933	0.4
111.04529	0.6
113.06122	0.5
121.02952	0.9
121.06600	1.6
123.08173	0.9
124.01648	0.5
125.02431	0.5
125.09726	1.4
125.69205	0.4
135.04536	0.4
137.09697	0.7
139.04022	45.8
140.04317	2.5
149.09691	0.5
151.11256	0.4
155.10785	0.6
162.03296	0.4
165.01926	1.9
165.09189	0.6
166.02776	0.5
207.13850	0.5
219.13884	0.5
224.02657	0.5
224.10190	0.4
233.15361	0.4
237.15059	0.7
249.14977	0.9
279.15994	3.9
293.25095	0.5
299.46964	0.5
305.13922	0.9
306.54391	0.4
307.15674	0.7
323.15042	2.2
345.20358	0.6
346.21078	0.6
347.21945	2.5
391.28229	0.5
417.22205	0.7
422.21072	0.4
435.27505	100.0
436.27859	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2394
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
53.24612	0.4
53.39722	0.4
57.03448	5.9
57.97583	0.4
58.00595	1.1
59.01392	3.1
60.37160	0.4
61.98834	1.7
63.70652	0.5
65.00345	1.1
69.03451	1.2
70.44579	1.2
71.05016	0.9
72.99316	0.6
73.02949	1.2
79.01907	0.9
81.03469	7.0
82.03855	0.5
83.01385	2.7
83.05030	1.2
83.66904	0.5
85.02953	1.4
85.06599	2.1
95.01367	0.8
95.05029	0.7
96.96024	1.0
97.02996	0.7
97.06607	0.7
98.55994	0.5
99.04541	1.2
107.01387	0.9
109.02985	0.8
109.06624	2.9
111.04535	2.0
111.08157	2.8
118.89307	0.4
119.08651	0.5
121.02952	1.1
123.00909	0.6
123.04518	1.3
124.01641	1.3
125.02456	58.7
126.02781	3.2
127.04013	0.7
135.04495	0.6
137.09767	1.2
138.03288	0.5
139.04030	2.7
151.00383	1.2
151.02875	0.5
151.04030	1.2
151.11325	0.6
153.05588	19.0
154.05919	1.9
155.06120	0.6
166.02730	1.4
167.03546	0.9
179.03525	1.7
180.03952	0.8
187.63495	0.5
191.14485	0.5
195.06602	1.5
195.13933	0.8
209.15482	0.9
219.14030	0.7
233.15588	0.7
235.13412	0.5
236.10168	0.5
263.16525	1.2
289.14520	0.5
291.15900	0.6
305.13998	1.3
307.15588	0.5
333.17032	2.1
351.18176	6.9
361.20212	0.6
375.17999	1.0
393.23026	0.6
417.22556	1.9
435.23816	100.0
436.24188	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	435.2392
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
55.01874	0.6
57.03446	4.6
58.00583	0.3
59.01375	1.5
60.06255	0.4
60.52659	0.4
61.98835	13.8
64.03026	0.4
65.00308	1.0
69.03454	1.5
69.84239	0.4
71.01382	0.6
71.05038	0.8
71.38112	0.8
81.03465	7.3
83.01382	3.2
83.05027	1.5
84.02180	0.7
85.02966	4.8
85.06600	1.2
95.01409	1.4
95.05056	0.6
96.96011	0.7
97.02953	1.5
97.06580	1.7
107.01416	0.6
109.06598	1.7
111.04511	1.2
122.03757	0.5
123.00922	0.7
124.01684	2.2
125.02457	34.2
126.02781	1.2
135.08150	0.5
137.09740	1.8
139.04001	1.5
151.00429	2.3
151.04001	0.5
152.01201	2.2
153.05591	17.2
154.05933	1.0
162.21515	0.4
165.01947	0.6
166.02721	4.4
169.12288	1.0
179.03482	2.4
180.04288	2.2
191.14513	0.6
193.05003	0.7
194.05792	0.7
207.06598	1.4
212.03340	0.5
221.08147	1.2
235.09706	0.6
235.13417	1.5
236.10559	0.7
247.16953	1.2
249.11339	0.5
275.16504	1.3
279.12415	2.8
291.16144	0.8
293.13873	0.5
319.15671	0.5
331.15549	0.7
337.16510	0.6
427.87515	0.5
435.23892	100.0
436.24271	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.4
59.01384	17.3
61.98834	3.4
67.74535	2.3
69.03448	3.6
69.62208	16.8
71.01374	16.0
71.05037	3.5
73.02953	6.2
78.95897	13.7
81.03476	5.3
85.02953	89.7
85.08663	2.2
85.33656	2.2
86.03296	5.0
87.00868	20.9
87.04500	14.5
87.84012	2.5
89.02433	14.2
95.05035	4.3
97.02953	5.0
99.04512	6.2
99.08169	2.4
111.00880	3.5
111.04581	2.6
113.02460	8.7
115.04028	18.2
123.04533	25.0
125.02439	13.7
127.11302	4.8
137.09743	2.5
139.04012	4.5
141.01926	4.3
141.05595	3.7
143.03532	9.3
145.99365	2.3
151.07678	3.6
152.99586	17.2
153.99971	3.5
155.00049	6.4
167.03484	10.3
211.32343	2.4
215.67844	2.7
233.19110	4.2
247.20705	5.4
249.18694	14.3
273.18610	5.3
275.20178	9.8
301.21735	7.4
317.21152	22.0
318.21490	3.6
319.22934	18.4
347.22272	100.0
348.22513	13.4
357.20621	13.0
373.23740	13.9
375.21759	25.3
376.22211	4.6
402.17368	2.6
417.22809	65.8
418.23013	12.6
435.27731	8.6
435.34793	14.6
436.35184	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	435.239
Annotation	Adenanthin H
Peak:m/z	Relative Intensity
53.88083	1.9
53.92199	1.9
57.03450	21.7
59.01382	9.1
61.98832	14.9
65.21165	2.2
67.01897	2.9
70.41023	6.0
70.41402	4.8
71.05029	8.6
79.01900	6.4
80.03251	2.0
81.03453	10.3
83.01398	5.1
83.05054	2.2
85.02440	4.4
85.02956	86.1
87.00906	5.7
93.03451	3.6
95.05010	12.2
97.02940	6.9
97.06587	4.3
99.04527	12.2
107.05024	2.9
109.02923	2.3
111.00902	2.6
113.06107	2.3
115.04005	2.4
123.04527	47.9
123.08130	2.7
124.01669	3.6
125.02454	66.7
135.04539	4.5
136.05307	2.5
138.03207	6.1
139.03999	6.3
141.01984	2.9
141.05630	10.9
151.00359	10.0
151.03955	2.5
151.07692	2.4
152.01187	3.5
166.02699	7.9
167.03465	10.9
170.02200	2.4
177.05589	2.8
177.12903	4.7
217.16040	2.5
219.13957	3.0
231.17644	4.0
252.87416	2.2
259.17026	23.9
260.17432	3.7
262.06409	2.7
273.18579	3.8
291.19629	3.7
301.18042	14.6
303.15930	3.9
331.22809	6.0
335.22260	17.1
345.20596	2.5
346.20987	6.4
347.14954	3.1
347.21420	14.0
363.76797	2.3
373.19922	3.3
373.23923	30.8
374.24438	4.1
375.16931	5.0
375.21735	100.0
376.21960	15.5
389.23239	4.1
391.25082	6.1
417.22559	27.8
418.23294	14.4
435.23737	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	435.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03450	3.9
59.01396	3.9
61.98828	0.7
65.04000	0.5
65.65841	0.6
69.03446	0.6
69.53228	0.5
71.01350	0.6
71.05032	5.3
73.02966	0.6
81.03472	1.5
83.01402	0.8
83.05030	2.5
85.02950	3.4
87.04520	3.9
95.01405	0.6
95.05047	1.1
97.06557	1.3
99.04510	4.1
99.76131	0.6
107.05031	1.9
109.02950	6.5
109.06580	1.1
111.04545	4.0
113.02438	1.1
123.04550	6.1
125.02457	3.8
125.06077	3.5
127.04019	8.2
135.04582	0.7
135.98244	0.5
137.02434	0.8
137.06085	0.7
139.04073	0.6
149.02486	0.6
149.06114	0.7
151.04027	7.0
152.04779	1.7
153.05576	3.3
164.04778	1.8
167.03510	2.3
169.05034	1.4
177.01947	1.2
178.02765	2.5
179.03462	0.8
182.02205	0.7
191.03596	0.7
191.07184	0.8
195.06682	0.6
195.56480	0.5
206.09377	0.7
229.21857	0.7
285.18643	1.1
287.12775	0.8
287.16513	0.6
291.16168	0.8
301.18179	1.2
313.18393	0.5
329.17542	2.0
347.22403	0.8
373.23895	1.4
375.21790	4.9
376.21924	0.9
379.21268	5.9
389.23352	3.4
391.25034	1.4
393.22855	1.2
394.22989	0.5
417.22821	22.6
418.23233	2.8
420.21664	1.3
435.23868	100.0
436.24231	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.239
Annotation	Melissoidesin E
Peak:m/z	Relative Intensity
50.05619	0.5
51.77618	0.5
57.03441	1.1
58.00581	0.9
59.01368	2.6
61.98827	0.8
69.03436	1.1
69.72662	2.1
69.73072	1.3
71.05022	5.1
73.02943	2.1
75.15438	0.6
81.03460	1.3
83.01395	0.7
83.05022	2.4
85.02950	2.5
95.01378	1.0
95.05017	0.9
97.02950	1.0
97.06592	2.5
99.04521	5.0
107.05021	1.7
108.02136	0.7
109.02956	9.0
109.06586	1.6
111.04545	6.1
113.02444	1.9
123.04526	6.3
124.04904	0.6
125.02472	3.7
125.06087	4.5
127.03114	1.0
127.04025	10.5
135.00943	0.7
135.04532	0.7
137.02440	1.4
137.06137	0.6
139.04036	0.9
149.09669	0.7
151.04027	12.6
152.04764	1.5
153.05609	4.8
153.08203	0.5
161.18478	0.6
164.04745	1.0
167.03476	1.0
169.05055	1.6
177.01910	1.1
177.05544	0.6
178.02666	0.9
178.06290	0.6
191.03459	0.9
205.05029	0.8
205.12408	0.7
245.15636	0.7
255.46455	0.5
266.11575	0.7
269.10229	0.8
289.14539	1.3
291.12405	0.9
306.86765	0.6
307.11877	1.8
331.15005	0.6
373.24075	0.9
375.21826	6.1
376.22034	0.8
379.21301	4.3
380.21487	0.7
389.23328	2.3
391.24896	1.7
393.22812	2.0
417.22827	20.6
418.23407	2.8
420.21545	1.7
435.23849	100.0
436.24216	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	435.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94508	0.4
57.03440	0.8
58.00601	1.1
59.01384	20.5
61.98838	3.3
69.52023	3.1
71.01388	5.1
72.99326	3.6
73.02949	0.7
75.00861	0.7
79.95763	0.7
83.01388	0.8
84.99285	0.7
85.02966	2.1
87.00882	8.7
87.01368	0.8
89.02456	3.8
93.03471	3.0
95.05056	0.7
96.96024	8.2
97.02936	0.4
97.06582	0.9
99.00842	0.6
99.08167	4.1
101.02466	3.6
103.00385	4.5
108.02135	0.7
109.02964	4.4
109.06529	0.5
112.98805	5.7
113.02454	1.8
115.07670	0.6
117.03470	0.8
119.03504	1.9
119.05003	0.9
121.02948	0.5
123.04533	4.7
125.02448	1.6
127.07638	1.4
127.11280	2.0
128.03551	1.2
129.09138	0.9
130.99847	1.5
131.86536	0.4
133.02942	0.7
135.04517	0.5
137.02492	0.4
143.07062	0.6
145.02969	2.0
147.04504	0.6
149.00909	0.4
151.04013	2.2
153.01921	0.6
155.10799	1.1
157.12341	2.9
161.02470	0.9
161.04564	0.8
162.03197	0.5
167.03535	0.6
177.01936	5.7
177.03358	0.8
185.11795	0.7
187.04138	0.7
187.13429	1.0
189.01930	15.3
190.02673	2.8
191.03548	3.8
195.06572	0.4
203.03477	1.6
216.00650	2.6
217.01447	8.8
218.01942	1.3
219.03065	3.8
226.73083	0.5
231.03027	3.6
241.05051	0.7
255.06563	0.5
255.19676	1.3
257.21353	0.9
267.19626	0.9
271.06119	1.1
273.07669	0.9
273.20712	0.6
283.06189	1.5
285.20764	1.9
289.07111	0.6
301.20270	2.0
303.21780	100.0
304.22113	11.7
311.05588	1.7
341.06665	27.8
342.06985	2.5
435.10440	9.1
435.22372	11.7
435.26752	3.9
436.11264	1.1
436.22601	1.5
436.27237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.09803	0.3
59.01387	9.3
59.68812	0.4
61.98848	1.7
67.01882	1.4
71.01388	4.7
72.99302	1.1
73.02934	0.7
79.01898	1.6
83.01366	0.7
85.02959	1.2
87.00877	0.4
89.02438	2.9
95.01390	2.6
96.96008	0.8
97.02913	0.7
101.02445	2.3
107.01395	4.9
110.00102	0.4
111.00919	2.5
111.32009	0.4
113.02472	1.7
119.03448	0.8
123.00901	16.6
124.01689	1.3
125.02457	19.0
126.02771	0.8
127.00376	1.1
130.84755	0.4
136.98840	2.6
137.42151	0.4
138.99326	0.6
139.00395	6.7
140.01172	4.2
141.01974	2.4
149.14023	0.4
151.00380	12.3
153.01947	0.7
154.99863	0.4
157.12222	0.4
161.02429	0.4
168.00668	4.7
169.01440	24.2
170.01782	0.6
179.03610	0.4
185.11566	0.4
203.12816	1.2
211.02496	6.2
211.04369	0.8
271.04565	4.3
313.05728	1.2
327.43417	0.4
355.14035	0.5
435.12997	100.0
436.13330	15.1
440.81873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49060	0.7
55.01869	1.4
57.03458	3.3
58.00615	3.6
59.01381	76.3
60.01706	1.0
61.98839	3.1
69.03455	0.9
71.01385	62.2
71.05016	1.8
71.60735	1.3
72.99312	4.9
73.02950	19.3
73.03339	1.0
73.45517	0.7
74.03259	0.9
75.00893	1.4
76.56876	0.8
77.52446	0.7
79.46317	0.7
79.95768	1.0
81.03490	1.3
83.01409	2.5
83.05052	2.3
85.02958	10.3
87.00890	1.9
87.04535	0.9
89.02447	100.0
90.02797	1.5
95.01419	2.6
95.05048	1.0
96.96006	7.6
97.02981	2.2
97.06609	1.2
99.00887	26.8
99.01511	1.5
99.04518	5.0
101.01783	1.9
101.02449	39.4
107.05024	1.1
109.02973	2.7
111.00912	1.1
111.04523	5.3
113.02447	14.6
113.03123	1.1
119.03511	12.8
123.04548	1.8
124.01682	1.5
125.02422	8.0
125.06136	1.1
127.04005	8.1
131.03506	16.5
137.02441	1.4
139.04086	2.6
143.03574	2.3
149.04562	51.9
150.04945	2.0
151.04053	1.2
152.04793	1.0
153.05678	2.2
161.04608	5.0
167.03598	1.6
179.05669	3.0
191.05612	13.2
191.07298	0.8
251.07704	4.4
325.16251	0.8
373.19882	1.8
375.21725	1.8
391.21024	4.1
393.23010	1.6
417.23102	3.3
435.13489	1.7
435.23782	44.5
436.24426	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	435.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.57799	0.7
62.69456	0.6
64.67310	0.7
65.00327	1.1
69.29409	5.9
81.03462	9.9
83.01397	4.3
90.04635	0.6
93.03457	7.3
107.01389	1.5
119.05030	10.5
122.19698	0.6
123.04534	29.7
124.04872	1.0
125.02463	15.3
126.02806	0.9
128.43320	0.6
135.04520	1.3
139.97481	0.7
149.02455	1.7
151.00340	2.5
167.03505	77.0
168.03860	3.6
169.06625	0.7
179.03526	9.3
183.54974	0.7
189.05577	1.8
190.00774	0.7
191.03529	0.9
229.08743	1.4
255.06572	0.8
273.07693	100.0
274.08047	12.4
435.12878	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	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13416	0.4
55.01878	0.7
57.03442	1.1
59.01385	5.5
60.97392	0.4
61.98834	1.0
64.82787	0.4
65.00327	0.7
67.01893	1.2
68.99824	0.7
69.03471	0.7
71.01376	5.4
71.61176	0.4
72.99327	1.0
73.02951	2.4
78.87963	0.4
79.01895	1.5
83.01391	2.5
85.02965	3.8
89.02467	0.8
95.01388	2.7
96.96001	0.5
97.02970	1.3
99.00901	0.8
101.02449	4.2
107.01418	5.2
108.30872	0.4
109.02959	0.9
110.00114	0.4
111.00883	3.2
113.02432	2.3
118.14960	0.4
119.05048	0.9
121.02965	2.9
121.05444	0.4
122.03411	0.4
123.00893	20.2
124.01704	1.8
125.02453	19.4
126.02823	0.5
127.00370	1.4
135.04523	2.2
136.98820	1.8
137.02512	0.6
139.00386	7.3
140.01176	4.6
141.01978	3.3
151.00372	15.7
151.01546	0.9
152.00783	1.2
153.01941	4.6
161.02415	0.4
161.04555	0.8
161.20277	0.4
163.04036	0.4
165.01933	0.8
168.00644	4.1
169.01431	26.2
170.01839	0.8
179.03670	0.5
181.05127	0.5
181.19733	0.4
195.03018	1.1
195.06664	0.6
203.12892	0.5
206.42117	0.4
207.60074	0.4
211.02504	1.3
219.02864	0.4
253.03738	0.5
255.05241	1.3
272.06528	0.6
273.06671	1.0
313.05597	2.1
435.13071	100.0
435.29294	4.4
436.13425	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	435.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73145	0.4
55.01871	0.4
59.01381	6.4
64.95968	0.4
67.01890	0.6
69.03455	0.6
69.64466	2.3
71.01385	5.0
72.99318	0.9
73.02941	1.1
73.65173	0.3
79.01907	1.2
81.03442	0.4
83.01395	0.7
85.02957	1.7
87.00859	0.5
89.02451	3.3
95.01398	1.3
97.02972	0.6
101.02441	4.0
107.01402	4.9
111.00900	1.8
113.02468	2.2
119.03481	1.1
121.05106	1.9
123.00893	14.1
124.01722	1.0
125.02454	18.8
126.02779	0.7
127.00384	0.5
136.98802	1.0
139.00404	4.5
140.01205	2.3
141.02011	1.8
151.00377	11.4
152.00754	0.6
153.02023	0.5
168.00633	3.6
169.01431	28.8
170.01761	1.1
179.03433	0.6
181.05074	0.5
211.02486	3.7
220.60826	0.4
253.03477	0.5
255.05074	0.6
271.04599	5.8
282.46909	0.4
283.10004	0.6
313.05737	2.6
373.31290	0.4
405.48004	0.5
435.11435	100.0
436.11771	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	435.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97102	0.5
57.03461	0.6
59.01375	2.2
61.98830	2.1
69.27525	4.2
69.27937	1.5
71.01389	1.0
71.27615	0.5
74.13975	0.5
75.03510	0.5
83.01388	1.3
85.02975	0.7
85.33868	0.5
89.02460	0.9
93.03465	9.3
94.03812	0.7
95.01341	0.8
95.05019	1.0
95.83279	0.7
96.96016	1.6
98.19892	1.0
101.02517	0.5
107.01379	0.7
108.02156	0.8
109.02957	15.6
116.67014	0.5
117.03472	2.4
119.05040	2.4
121.02959	1.5
122.03716	0.8
123.00880	1.9
123.04530	13.9
124.01630	0.7
124.04842	1.0
125.02454	5.8
133.02951	2.4
135.00888	0.7
135.04483	0.9
137.02426	1.0
139.00377	0.6
140.01180	0.7
145.02989	7.8
147.04517	3.8
149.02480	0.7
149.20952	0.6
150.03246	1.1
151.00423	1.2
151.04004	9.1
152.04431	0.9
159.04483	1.3
161.02397	1.8
162.03175	0.8
163.03992	1.0
167.03500	3.6
168.00705	1.0
168.62032	0.5
169.01442	1.9
175.04080	0.9
176.01151	0.9
177.01936	22.3
178.02304	1.7
179.03513	1.0
187.04004	2.2
189.01936	51.6
190.02669	13.0
191.03499	11.3
203.03474	5.5
216.00645	8.5
217.01428	34.9
217.03136	0.5
218.01955	4.4
219.02998	14.3
220.03345	1.1
229.04968	0.7
229.08704	0.9
231.02975	10.8
232.03551	1.3
233.04442	1.1
241.05054	1.0
269.04529	0.9
271.06097	2.4
273.07669	4.4
281.04733	1.1
283.06110	1.1
289.07156	4.5
297.07715	1.5
311.05692	4.7
312.06024	0.9
323.05664	1.5
325.07166	0.7
341.06662	100.0
342.06992	10.7
396.99765	0.5
400.89871	0.6
435.10788	33.9
435.29703	1.3
436.11069	5.1
457.48920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08237	3.2
61.98837	100.0
62.35071	3.7
63.47776	2.8
67.30675	2.9
69.71510	9.8
69.71950	11.4
70.98090	2.7
96.16423	3.5
98.19907	6.2
98.76172	2.8
114.00420	3.1
133.12598	3.7
146.27528	2.9
165.43744	3.8
196.12378	3.3
220.72607	3.2
387.48697	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	434.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.83315	1.5
70.92759	3.6
94.70199	1.5
95.04991	1.6
218.95111	1.7
371.22226	10.7
372.22495	2.6
434.29449	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	435.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
69.54031	1.6
69.54429	0.5
71.01401	0.3
93.03517	0.3
96.96021	2.5
110.97633	0.3
117.05584	0.4
121.02985	1.3
123.04519	0.5
125.02419	0.4
133.02971	3.2
134.03751	4.7
135.04518	0.3
137.02460	5.5
138.02783	0.3
139.04012	1.6
150.03250	0.4
161.02460	9.1
162.02866	0.3
169.01469	0.5
178.02716	1.4
192.04327	0.6
193.05066	100.0
194.05405	6.6
212.73795	0.2
241.00284	4.1
271.99640	0.5
273.00281	0.6
313.05695	0.4
319.93372	0.3
355.10364	18.1
356.10721	2.0
435.05902	11.1
436.06281	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	435.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
59.25236	0.4
61.98838	0.6
64.23910	0.5
69.56765	2.7
77.81662	0.5
85.02944	0.7
85.63527	0.6
88.61337	0.4
91.46283	0.5
96.96004	3.4
125.02497	0.7
133.02985	3.1
134.03770	3.5
137.02454	5.1
139.04039	1.1
161.02431	7.6
162.02786	0.7
168.00681	1.4
169.01094	1.1
178.02724	2.0
192.04344	1.2
193.05078	100.0
194.05411	7.0
241.00282	4.2
297.06177	0.6
303.00592	0.5
303.09210	0.5
311.50687	0.5
340.62482	0.5
355.10379	18.2
356.10834	1.8
435.05917	7.6
435.17334	0.6
436.07022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.7
59.01379	10.8
61.98839	49.2
69.73565	15.6
78.95914	73.2
81.03419	3.0
83.01388	3.3
85.02943	22.1
87.00868	6.5
92.17740	2.5
92.74532	2.9
96.96954	7.0
102.15069	2.7
108.55593	2.6
113.02427	3.3
114.71140	2.6
123.04590	3.6
124.01636	8.9
125.02470	49.2
126.02741	3.8
131.85855	3.3
139.04019	16.1
141.02045	4.0
141.08434	2.6
152.01132	3.5
152.99600	100.0
153.99901	16.9
165.01936	3.2
179.03471	4.9
190.43848	3.2
238.85098	2.6
250.06715	2.8
300.99429	3.8
345.20728	6.3
346.20972	34.6
347.22260	40.5
371.18677	7.5
375.21802	3.8
416.21320	5.0
417.22736	8.7
433.25909	3.6
434.26102	24.2
434.33231	5.9
435.27307	4.6
454.20264	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	434.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67439	0.6
59.01391	5.0
61.98835	100.0
69.55588	3.7
69.55997	1.2
71.01398	2.2
73.02952	0.8
75.94821	0.5
85.02958	1.1
89.02457	0.8
95.01408	1.1
98.20568	1.3
101.02462	1.6
104.30008	0.6
107.01404	0.9
113.02450	1.0
119.05016	1.0
123.00897	3.5
125.02441	4.0
135.04504	0.7
139.00377	1.4
140.01190	1.0
142.84360	0.6
151.00369	4.2
152.00784	1.0
153.01990	1.1
155.55589	0.6
168.00662	1.0
169.01451	4.7
202.65353	0.6
256.03387	0.6
271.06128	1.4
272.03207	1.4
272.06561	3.2
299.99493	0.7
300.02811	1.3
300.99744	1.5
301.03375	3.1
302.00522	0.9
302.03870	1.7
374.21725	0.8
435.13095	18.7
435.30090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.43264	14.4
72.13466	2.3
79.77718	2.2
138.07260	2.1
139.04044	3.0
139.89296	2.3
148.30107	2.2
288.01691	2.2
368.12851	2.1
371.22205	20.0
434.29742	9.1
448.18594	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	434.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67075	1.2
61.50755	1.0
61.98833	100.0
63.02595	1.0
66.22602	1.0
69.72090	1.9
69.72487	5.7
73.89571	0.9
78.95912	1.7
98.19883	2.2
130.66684	1.1
300.19992	1.2
435.30542	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	434.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98523	0.7
61.98835	10.4
62.79865	0.4
71.01380	1.9
71.15951	1.0
72.99314	0.6
73.02946	0.6
75.00884	1.3
75.61935	0.4
79.95740	0.9
85.02960	1.3
87.00886	0.5
96.95996	2.5
99.00941	0.5
99.25741	0.5
101.02451	0.7
109.02962	0.9
111.00912	0.5
113.02467	1.3
115.00410	0.5
117.05608	1.0
117.17896	0.4
121.02966	7.3
123.04530	0.7
125.02438	2.6
133.02969	3.2
133.52762	0.4
134.03732	4.8
135.04541	2.9
137.01424	0.8
137.02448	12.3
137.03494	0.7
139.04031	1.6
151.04015	1.0
161.02449	8.9
169.01430	1.7
178.02727	1.4
180.96210	0.4
192.04356	1.0
193.05060	100.0
241.00301	3.5
245.00804	0.5
249.06192	2.7
271.99585	1.2
273.00403	1.2
273.07697	1.2
300.99582	0.8
302.00351	0.6
313.05646	1.4
355.10342	17.4
356.36185	0.5
371.09818	7.5
372.10327	0.6
435.05811	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	434.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.2
59.01372	9.3
60.01723	3.6
61.98838	56.4
63.59443	3.4
66.75199	3.2
70.51767	3.5
71.61673	4.9
78.95911	64.1
83.01401	6.5
85.02958	27.7
86.03291	4.1
87.00849	7.9
91.19894	3.6
95.01386	5.9
96.96953	4.4
97.91986	3.6
113.02455	5.3
124.01690	25.7
125.01614	6.4
125.02459	76.7
139.03021	6.3
139.04033	86.4
140.04347	4.0
152.01152	12.5
152.99614	97.0
153.99962	20.2
154.99950	5.1
166.02748	5.5
179.03455	4.8
194.07222	3.6
249.29002	3.7
275.20154	7.9
302.00131	4.8
305.17700	8.8
345.20602	10.4
346.21014	73.3
347.22314	52.1
371.18582	8.9
375.21518	6.1
416.21594	10.8
417.22821	14.0
434.23822	7.0
434.33664	6.5
435.27524	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	433.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
56.87647	0.6
57.03433	1.1
59.01384	1.7
60.10587	0.7
60.41568	0.6
61.98829	1.4
63.52989	0.6
64.88183	0.8
71.01358	0.8
71.05011	1.4
78.95902	1.5
79.01881	2.6
81.03426	1.4
85.06586	4.2
85.34567	0.7
85.96502	0.7
93.03463	0.9
97.02947	1.9
98.20689	1.2
99.92566	1.3
109.03006	0.8
109.06594	6.3
111.04533	5.3
111.08121	0.7
125.02457	1.6
135.04506	3.0
136.05280	1.1
136.07257	0.8
151.03917	1.0
152.99605	1.0
153.05592	28.1
154.05894	3.0
165.01892	0.9
179.03476	2.2
182.46317	0.8
201.89766	0.7
219.17531	1.7
223.94530	0.9
275.20123	5.2
276.20447	0.8
299.99078	2.6
300.02631	1.5
300.99896	1.1
301.18265	0.8
319.19147	3.0
333.20773	1.0
345.20047	1.6
371.29562	1.1
389.30222	1.5
389.34662	1.8
433.03778	1.3
433.29419	100.0
434.29755	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	433.3323
Annotation	3alpha,7alpha-Dihydroxy-5beta-cholestanate
Peak:m/z	Relative Intensity
60.35833	1.6
61.81331	1.7
61.98845	2.1
65.46182	1.8
65.94643	1.9
71.03493	2.7
71.03824	2.3
75.42651	1.9
99.04453	2.0
99.08183	4.4
106.37023	1.7
123.08150	13.2
137.59081	1.8
139.87642	1.6
148.60577	1.7
151.04028	1.9
153.52080	1.7
158.96101	1.6
166.76686	1.7
167.07121	12.7
197.12276	1.6
212.00397	1.7
271.02524	2.0
300.02670	2.4
307.26443	2.9
319.30179	4.8
389.34277	39.3
389.38934	2.8
390.34973	5.3
433.33453	100.0
434.29663	1.7
434.33771	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01380	3.8
61.98845	1.0
62.86068	0.6
63.49232	0.7
65.00330	1.5
67.01882	0.8
68.99828	0.8
69.59039	4.5
71.01383	3.4
72.99321	1.3
79.95734	1.5
83.01398	2.1
85.02963	1.9
87.00870	1.5
89.02440	1.4
90.50294	0.7
93.03448	2.1
95.01391	1.3
96.96014	11.3
98.86623	0.7
99.00950	0.7
101.02449	0.9
107.01374	0.8
109.02966	1.8
110.00112	2.4
111.00883	11.7
112.01218	0.8
113.02470	0.6
117.05560	1.3
123.00867	3.1
123.04569	1.3
124.01665	6.7
125.02467	9.1
126.02804	0.8
127.00384	5.1
133.02966	1.9
134.03734	2.6
135.04530	1.4
136.98813	9.7
137.02457	7.7
138.03143	0.7
139.00378	14.7
139.04022	1.5
140.01170	21.3
145.02959	0.9
151.04022	0.8
153.01941	1.3
154.99870	2.3
161.02443	5.6
163.04076	0.8
166.99846	0.8
168.00645	100.0
169.01427	19.7
170.01721	0.9
172.01746	1.1
173.02075	1.1
175.97896	1.2
177.04057	2.7
178.02731	0.6
182.99266	1.0
185.02396	0.8
191.05603	6.5
192.04146	0.6
193.05063	62.1
200.01146	1.0
201.01535	1.9
211.02470	1.9
212.98273	0.7
216.00557	1.0
217.00972	2.0
222.64366	0.7
228.00557	0.7
229.01266	1.6
230.01883	1.3
241.00175	4.1
241.03545	1.8
242.99365	0.7
243.99843	2.3
245.00554	2.6
246.01064	0.9
271.99460	1.2
272.99994	1.9
283.99203	1.3
285.00012	1.7
289.07263	1.0
296.05817	0.7
297.06113	5.8
299.99112	27.7
300.99539	89.3
302.00171	53.5
303.00406	5.8
303.08649	0.9
312.05005	0.8
314.06454	14.4
314.09943	1.1
315.06790	0.8
329.05124	13.0
330.05487	1.2
337.09445	1.3
346.05435	1.9
355.10379	11.6
357.08365	0.9
358.09387	0.7
387.09268	2.2
388.10052	4.3
399.01550	0.7
408.24228	0.6
434.04425	68.2
434.09357	3.8
435.04950	15.5
435.17218	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	433.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01370	1.4
66.91883	0.5
69.02668	0.5
71.05034	5.0
71.47203	0.9
81.03469	0.8
83.05019	2.2
85.02969	2.7
97.02939	0.8
97.06594	0.9
99.04520	3.5
105.06548	0.5
107.05030	1.5
109.02960	5.8
111.04527	2.5
122.03666	0.7
123.04507	2.4
125.02430	0.9
125.06067	2.2
127.04031	6.5
135.00906	0.5
135.04463	0.7
137.02440	1.3
149.02434	0.8
150.03325	0.6
151.04033	5.1
152.04768	2.0
153.01932	0.9
153.05542	2.0
164.04773	1.5
164.48276	0.7
165.05634	0.6
167.03488	1.6
169.05173	0.6
177.01877	1.5
178.02739	2.6
181.05026	0.8
182.02151	0.5
198.83406	0.5
206.05884	0.7
247.09918	0.7
281.24893	1.8
289.25269	0.8
305.24850	5.8
306.25317	0.9
317.28476	1.0
329.28864	0.6
329.45425	0.5
335.29889	0.6
345.28003	1.0
371.29669	3.6
373.27457	7.7
374.28094	2.8
377.26959	6.4
378.27545	0.9
387.29041	8.3
388.29221	1.0
389.30716	2.2
391.28696	1.9
415.28571	34.5
416.29077	5.9
418.27234	3.8
433.29596	100.0
434.29935	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
67.80144	0.6
69.59631	4.4
71.05024	4.9
82.47055	0.8
83.05047	2.0
85.02979	2.8
97.06596	1.5
99.04527	3.5
107.05029	1.9
109.02962	6.0
109.06619	0.6
111.04514	1.4
113.97862	0.6
122.03747	1.1
123.04543	1.9
125.06087	1.9
127.04008	6.6
135.00916	0.8
135.04573	0.8
137.02429	0.9
149.02405	0.7
151.03990	4.0
152.04785	1.6
153.01945	0.9
153.05608	1.9
161.06201	0.8
163.04012	0.9
164.04811	1.7
167.03500	1.8
169.05090	0.9
177.01947	1.3
178.02718	2.4
182.02141	0.6
183.61465	0.6
189.70164	0.6
191.03442	0.8
205.05090	1.3
281.24854	2.0
305.24939	5.7
317.28455	1.1
331.26630	0.7
348.36948	0.7
371.29611	2.3
373.27512	6.8
374.27945	3.0
377.26889	5.3
378.27200	1.1
387.28986	7.9
388.29413	1.4
389.30698	1.8
391.28497	2.3
415.28561	28.7
415.34174	1.4
416.28998	4.3
418.27161	2.1
419.27637	0.7
433.29596	100.0
434.29895	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03463	1.4
58.59227	0.2
61.98834	0.5
62.14236	0.2
69.63260	0.5
69.63670	1.3
71.05029	0.6
73.02964	0.5
79.01894	3.4
81.03487	0.4
83.05022	0.4
85.06590	6.1
87.27217	0.3
91.05534	0.7
95.03057	0.3
97.02940	2.1
107.05051	0.7
109.02979	0.6
109.06600	7.6
110.06929	0.4
111.04530	6.8
113.09770	0.6
122.70903	0.3
123.04559	0.3
135.04536	3.4
136.05354	1.6
137.05862	0.3
149.06107	0.7
150.06894	1.0
151.04036	1.1
152.04817	0.4
153.05585	38.6
154.05894	1.7
167.07248	0.3
179.03497	2.2
180.04274	1.1
193.05142	0.6
194.05927	0.3
207.06569	0.5
207.13933	0.9
219.17555	2.5
229.22092	0.3
231.17511	0.3
233.19035	1.7
246.15958	0.4
256.85709	0.3
257.19107	0.7
260.17703	1.8
273.18665	0.5
275.20169	9.1
276.20499	0.9
301.18106	0.7
310.22504	0.3
319.19110	4.2
320.19550	0.6
353.71674	0.3
371.29337	0.4
389.30121	0.5
389.34341	1.0
415.28619	0.7
433.29547	100.0
434.29895	19.0
434.35910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2959
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
57.03436	1.9
57.13074	0.6
59.01373	2.2
63.71960	0.6
69.03456	1.0
71.05019	4.2
72.88351	0.6
81.03446	2.2
83.01372	1.5
83.05027	5.4
85.02956	4.3
95.01404	0.6
96.02171	0.6
96.41784	0.5
97.02923	0.8
97.06578	1.8
98.20588	1.3
99.04527	12.6
107.05048	1.8
109.02975	5.5
111.04536	2.9
113.02444	1.7
123.04511	2.1
125.02452	1.2
125.06090	1.6
127.04017	21.9
136.05283	0.8
137.02435	2.5
151.04063	4.0
151.07646	0.9
152.04814	3.2
153.01944	0.9
153.05554	2.2
154.58160	0.6
164.04767	0.7
167.03491	4.6
169.05052	2.0
178.06375	0.8
195.06633	5.3
211.66367	0.7
281.24930	1.2
289.25565	0.8
305.24905	12.7
305.28329	1.4
306.25113	1.5
307.26160	0.7
317.24930	1.1
321.27725	0.8
333.28033	0.9
336.75659	0.7
345.27673	1.0
347.29559	2.7
371.29306	0.7
373.27487	9.9
374.28207	5.4
375.25183	1.8
377.26965	4.4
387.29025	2.2
389.30646	5.7
390.31232	1.0
391.28641	4.1
392.28723	0.8
415.28680	3.6
416.29462	0.7
433.29584	100.0
434.29898	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	433.2958
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
52.18504	0.7
54.31887	0.5
57.03440	1.2
59.01377	2.5
61.76133	0.6
62.72391	0.6
69.66469	4.5
71.05028	5.4
75.90177	0.6
81.03455	1.2
81.76650	0.7
83.01368	0.7
83.05022	2.2
85.02959	3.5
97.02966	0.8
98.19894	1.4
99.04518	4.4
107.05022	2.4
109.02976	5.4
110.03783	1.3
111.04546	1.6
113.02487	0.9
122.03696	0.8
123.04494	3.7
125.02465	1.4
125.06075	1.6
127.04027	8.0
135.00946	1.0
135.04575	0.9
136.05354	0.7
137.02495	1.3
149.02409	0.9
150.03244	0.8
151.04042	5.3
152.04793	2.7
153.01846	0.9
153.05612	1.8
161.06056	0.8
163.04073	0.9
164.04805	1.7
167.03493	1.3
170.37198	0.6
177.01924	1.3
177.05510	0.8
178.02711	3.2
178.06224	1.1
182.02185	0.8
191.03525	1.0
196.03806	0.7
200.11256	0.7
205.05101	0.8
281.24869	1.8
305.24860	5.7
306.25082	0.9
307.26712	0.7
327.42758	0.7
345.28058	1.0
371.29633	3.0
373.27496	7.3
374.27960	2.0
377.26953	5.7
387.29047	8.8
388.29465	1.5
389.30664	2.2
391.28589	1.4
415.28543	29.7
416.28915	5.2
418.27103	3.7
423.70514	0.7
433.29593	100.0
434.29889	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.26685	0.3
57.03449	4.1
57.07177	0.3
58.00595	0.7
58.14903	0.3
59.01382	1.9
61.98821	0.5
62.75795	0.3
63.90554	0.3
67.01898	0.4
69.03455	0.5
69.92502	0.8
69.92896	0.6
71.05024	6.0
73.02946	1.4
79.01906	1.7
81.03467	0.7
83.05028	0.7
85.02959	5.6
87.00900	1.5
87.04523	7.1
88.85897	0.3
95.05030	13.6
96.05380	0.6
97.02957	3.7
97.06592	1.1
100.79369	0.3
109.06600	0.6
111.04537	0.3
113.02454	1.3
121.02968	1.4
121.06597	0.7
122.03728	0.5
123.04543	0.5
123.08157	0.4
125.02459	0.8
125.09711	0.4
131.42288	0.4
135.04521	0.9
139.04021	50.4
140.04338	2.2
141.01961	0.8
153.05617	0.4
162.03210	0.3
165.01942	1.6
166.02708	1.0
167.07150	0.9
180.04358	0.8
193.05109	0.7
209.15472	0.3
247.17174	0.4
249.11356	0.5
249.14981	0.3
257.19031	0.5
259.20602	1.3
261.15015	0.4
273.18481	0.9
279.16043	1.1
299.99045	0.7
300.02512	0.4
300.99896	0.4
301.21738	3.3
303.16025	0.4
313.22073	0.4
323.15097	1.0
345.20697	17.1
346.21164	2.1
373.20117	2.1
397.69733	0.4
415.21118	3.6
415.25104	0.3
416.21692	0.6
420.20325	0.3
433.26007	100.0
434.26334	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31916	0.4
57.03453	6.5
58.36964	0.4
59.01384	0.9
63.36040	0.4
65.00330	1.3
65.03976	0.5
69.03458	1.8
70.07652	1.6
71.05003	0.4
72.98734	0.4
78.67659	0.4
79.01900	1.2
81.03463	14.2
82.03748	0.4
83.01380	2.3
83.05039	2.1
93.03457	0.7
95.01402	1.7
95.05037	4.0
97.02393	0.3
97.02929	1.9
97.06628	0.4
98.19892	0.4
107.01401	1.1
108.02206	0.5
109.02986	0.4
109.06608	1.2
111.00880	0.4
111.04530	0.8
113.06085	0.5
121.06526	0.5
122.03757	2.5
123.00893	0.9
123.04514	0.9
124.01688	1.2
124.05243	0.5
124.09830	0.4
125.02457	36.2
126.02812	1.4
135.04512	0.7
141.05573	0.4
151.00391	2.6
151.04068	0.5
152.01175	1.8
153.05586	3.5
166.02711	4.2
167.09650	0.4
179.03548	2.6
180.03937	0.6
191.14490	0.4
193.05054	0.5
205.15939	2.8
207.06544	0.4
207.13896	0.9
219.13857	0.7
219.17609	0.6
221.08261	0.5
223.16977	0.5
227.06850	0.5
233.15469	0.4
235.09796	0.7
245.15508	0.7
247.17084	3.6
248.17270	0.6
249.11287	0.5
259.17007	1.6
263.12891	1.2
283.30038	0.4
289.14404	1.4
289.18057	1.0
303.16071	5.6
304.16501	1.2
319.15588	0.8
332.16235	0.5
333.17172	1.0
359.18713	0.8
415.21133	2.5
416.21680	0.5
433.22330	100.0
434.22656	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	433.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31844	2.1
55.01888	4.9
57.03446	10.1
59.01391	8.5
59.57464	2.0
62.91965	2.0
67.01896	3.2
69.03462	2.9
69.63592	13.5
71.05027	47.3
79.01910	5.7
81.03493	4.2
83.01400	2.6
85.02961	78.9
87.00900	12.0
87.29378	2.2
95.01387	4.0
95.05032	14.0
97.02983	4.1
99.04514	6.1
109.02935	3.4
109.06579	2.8
113.02467	6.7
123.00914	2.7
123.04544	36.3
124.01672	23.9
124.04860	2.1
125.02477	26.6
136.05316	2.8
137.02374	2.8
137.06128	2.3
138.03250	5.6
139.04028	65.8
140.04376	2.6
141.02005	4.4
141.05592	6.6
143.79039	2.1
149.06114	2.6
151.00403	5.1
151.03995	2.7
152.01193	12.2
165.01967	4.8
166.02751	4.9
167.03508	10.0
170.02301	2.5
179.03505	6.1
181.05170	2.4
191.14595	3.4
223.09770	3.0
245.15498	2.4
261.11548	3.5
273.18741	5.4
299.99280	2.3
300.99893	2.7
319.22812	2.9
329.17657	2.8
333.20795	7.7
337.69107	2.4
343.18494	2.5
345.20709	100.0
346.21198	14.5
371.22302	43.6
372.22711	5.6
373.20206	78.3
374.20532	13.9
389.23318	3.4
415.21140	29.8
416.21884	9.9
433.26025	75.2
434.26450	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	433.2233
Annotation	Maoesin E
Peak:m/z	Relative Intensity
55.01868	0.7
57.03463	2.7
58.49741	0.6
59.01376	1.9
69.03465	0.9
69.71742	3.8
71.05028	5.6
72.57034	0.6
81.03459	2.8
83.01369	1.2
83.05024	2.0
85.02953	2.3
92.91180	0.5
93.03471	0.8
95.01377	0.6
95.05049	1.9
97.02941	0.7
97.06605	1.0
98.19951	1.0
99.04539	3.4
107.05006	1.4
109.02968	5.0
109.06578	1.8
111.04530	3.2
113.02441	1.0
120.63445	0.6
123.04551	4.1
125.02460	8.0
125.06103	2.9
127.04023	6.7
135.00780	0.9
135.04503	0.8
137.02452	0.8
137.06110	0.8
138.03207	1.3
150.03143	0.7
151.00394	0.6
151.04015	6.8
152.01138	0.6
152.04768	2.3
153.01883	0.7
153.05592	8.8
163.03998	0.9
164.04794	1.3
165.05550	0.6
166.02744	0.9
167.03500	1.7
169.05096	1.3
177.01909	1.1
177.05574	0.7
177.09332	0.5
178.02699	1.5
178.06256	0.7
179.03481	1.6
180.04268	1.0
181.05038	0.7
182.02243	0.6
191.07050	0.9
192.04239	0.7
193.05052	1.2
205.05026	1.4
207.06541	0.7
299.99139	0.7
300.02551	1.1
301.00040	0.7
313.18063	0.9
327.19562	0.7
332.60519	0.7
341.17648	1.6
358.20139	0.6
359.18802	1.3
373.20099	2.0
374.20905	0.7
377.19659	3.8
378.20074	0.9
387.21729	1.5
389.23312	1.9
391.21182	1.0
397.20267	0.6
415.21286	19.5
416.21686	3.8
433.22311	100.0
434.22678	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	433.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06935	0.4
57.03450	2.9
58.34159	0.4
65.00321	0.4
67.01859	0.6
69.03466	3.4
71.28642	0.4
80.51763	0.4
81.03452	6.4
82.03781	0.5
83.01386	1.7
83.05018	0.7
84.02151	0.5
95.01404	5.4
95.05032	0.9
96.02205	0.4
97.02966	2.8
97.06599	0.6
98.19921	1.1
107.01376	0.5
107.25998	0.4
108.02161	0.6
109.02963	0.5
111.00939	0.7
111.04502	0.5
122.03769	0.9
123.00893	3.3
123.04530	0.9
124.01674	5.7
124.05254	0.6
125.02456	26.1
126.02834	0.5
127.04040	0.5
135.04543	0.5
137.48984	0.4
139.00375	0.7
151.00377	5.5
152.01173	8.9
153.05560	0.9
166.02734	7.1
167.03442	1.4
177.09163	1.0
178.02782	0.5
179.03517	8.4
180.04221	1.3
181.05017	0.5
191.07202	0.4
191.10832	1.2
193.05038	2.0
205.15997	1.7
207.06619	1.1
207.13814	0.8
221.08209	1.5
235.09731	3.5
236.10265	0.9
247.17026	4.1
249.11472	0.4
256.41882	0.4
263.12979	1.3
275.12918	0.4
289.14352	0.9
290.15225	1.1
291.15945	2.7
329.95184	0.5
360.79733	0.5
415.21237	2.2
433.22314	100.0
434.16751	0.8
434.22623	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	433.2231
Annotation	Maoesin E
Peak:m/z	Relative Intensity
57.03438	1.5
59.01402	0.8
68.30091	0.5
69.03451	1.3
69.75835	3.1
70.59783	0.5
71.04748	0.4
71.05028	4.9
71.37831	0.6
73.02927	0.6
81.03456	2.4
83.01383	1.1
83.05030	2.4
84.83060	0.5
85.02955	1.7
85.87798	0.6
95.01392	0.5
95.05013	0.9
97.02980	0.8
97.06572	1.1
98.19938	0.7
99.04533	3.5
107.05046	1.4
109.02979	4.6
109.06631	1.4
111.04530	2.9
113.02455	1.5
123.04528	3.6
125.02451	9.0
125.06105	3.0
127.04025	9.0
130.71408	0.5
135.04480	1.0
137.02464	1.1
137.06096	0.7
138.03285	0.8
151.00343	0.5
151.04028	5.3
152.04761	2.3
153.05591	6.4
154.02649	0.7
154.05891	0.7
163.04042	0.7
164.04817	1.2
166.02727	0.8
167.03484	1.9
169.05072	0.9
177.01942	1.2
177.05621	0.7
178.02748	2.2
178.06303	0.8
179.03499	0.9
180.04240	1.0
191.07193	0.7
192.04262	1.0
193.04990	0.9
205.05020	1.4
227.45671	0.5
249.11969	0.5
259.17148	0.5
286.48303	0.5
299.16528	0.7
300.02740	0.7
301.18286	0.5
313.18210	0.6
341.17578	1.6
359.18597	1.6
373.20258	3.6
377.19824	3.6
387.21912	1.1
391.21451	1.0
397.19995	1.1
415.21286	16.2
416.21698	2.8
418.19958	1.4
433.22296	100.0
434.22647	18.1
434.28391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35589	0.5
53.50387	0.4
57.03455	6.2
59.01369	1.1
65.00320	1.2
66.84159	0.4
69.03469	2.3
69.53745	1.3
69.54166	1.8
71.01384	1.5
71.04993	0.7
73.02939	0.5
73.58985	0.4
78.02954	0.5
80.57174	0.4
81.03465	12.4
83.01408	3.1
83.05035	2.1
85.02970	0.8
85.06601	1.3
93.03484	0.6
93.98766	0.5
95.01373	1.0
95.05061	1.1
97.02923	0.9
97.06589	1.0
99.04515	0.9
100.82150	0.4
107.01425	0.6
107.51763	0.4
109.06597	1.7
111.04537	0.8
121.06573	0.5
122.03698	1.1
123.00913	0.6
123.04504	0.8
124.01654	1.3
125.02458	40.5
126.02772	1.4
135.04535	0.5
139.04005	0.9
151.00375	1.4
151.04123	0.6
152.01204	1.0
152.04803	0.5
153.05580	8.4
154.05902	0.5
159.21642	0.4
166.02724	1.0
179.03510	3.2
180.04202	0.7
190.48198	0.4
193.05116	0.8
197.74893	0.5
207.13904	0.5
221.08275	1.0
231.17528	0.5
245.15503	0.5
247.16997	1.1
261.18628	0.5
273.18607	1.5
291.15964	0.9
299.99182	0.9
300.02762	0.8
301.00143	0.5
301.03586	0.5
317.17496	0.6
349.16516	0.6
359.18585	1.5
391.21271	0.5
415.21127	3.8
416.21762	0.5
433.22311	100.0
434.22665	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.58599	0.4
57.03439	2.2
57.03695	0.5
59.01374	0.7
62.40522	0.5
62.54945	0.6
69.03475	2.3
71.05016	1.3
71.36852	1.0
81.03461	5.1
83.01372	1.1
83.05029	2.1
84.02147	0.7
85.02951	0.8
85.06592	2.9
93.03471	1.0
95.01411	2.5
95.05039	1.2
97.02954	2.2
97.06587	0.9
99.04514	1.5
107.05048	0.8
109.02946	1.1
109.06591	3.0
111.04518	2.9
118.88783	0.5
122.03765	1.1
123.00880	1.1
123.04519	0.9
124.01667	2.0
124.05315	0.8
125.02458	17.4
125.06089	0.6
126.02858	0.5
127.04009	1.7
132.21379	0.6
135.04523	0.6
138.63579	0.5
139.04057	0.6
149.32846	0.4
151.00389	2.0
151.04057	1.3
152.01167	3.7
152.04799	1.5
153.01984	1.0
153.05582	18.1
154.05972	0.7
164.04851	0.6
166.02734	4.4
167.03514	2.5
178.02629	1.6
179.03496	4.9
180.04233	1.2
181.05046	0.9
191.07143	1.6
193.05043	1.4
195.88718	0.5
205.04973	1.1
206.09508	0.9
207.06667	0.8
209.08177	2.1
217.15840	0.6
221.08157	1.0
223.06114	0.6
233.08142	0.8
234.08817	0.5
235.09792	1.6
245.15472	0.6
247.17105	1.5
263.12845	2.7
264.13065	0.6
288.13400	0.6
289.14423	1.2
291.15955	1.0
299.98877	0.7
300.99857	0.7
303.15961	0.6
333.17004	1.1
342.81021	0.5
349.08264	0.5
359.18628	0.6
373.20184	0.8
389.19135	0.6
415.21222	4.8
433.22293	100.0
434.22626	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	433.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03447	1.6
58.84777	0.5
59.01391	0.6
61.56240	0.5
63.28916	0.4
69.03454	2.7
70.70121	1.5
71.05029	0.7
71.34233	0.5
78.39539	0.5
79.01897	1.5
81.03459	2.3
83.05034	0.9
84.02184	0.7
85.06603	6.5
95.05012	0.9
97.02949	4.1
97.06555	0.6
100.57107	0.5
101.14413	0.6
104.01447	0.5
109.06597	4.9
111.04512	4.3
123.04487	1.2
124.01649	0.7
124.98985	0.6
125.02457	7.2
135.04541	1.0
138.03186	0.6
138.83620	0.5
151.00406	0.6
151.04010	1.5
152.01143	0.8
152.04790	2.4
153.05585	45.1
154.05928	2.0
163.07562	0.6
165.01973	2.3
166.02742	0.7
179.03519	5.2
180.04292	11.0
181.04660	0.6
184.82735	0.5
191.14441	0.9
193.05052	2.5
194.05852	3.9
207.06644	6.5
208.07356	1.6
212.03259	1.7
218.09500	0.7
221.08092	2.4
235.09746	2.9
236.10526	2.7
247.17107	2.9
249.11382	0.6
275.12973	0.9
290.15103	3.2
291.16016	4.0
299.99295	0.9
300.02731	1.1
300.99841	0.7
375.17957	2.4
415.21390	2.8
426.98779	0.6
433.22318	100.0
434.22601	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21273	1.0
57.03453	5.8
58.89795	1.0
59.01383	20.4
61.98813	1.6
65.00336	1.9
65.04760	1.0
67.01896	1.3
68.29564	1.1
68.99817	2.0
69.03466	7.4
71.01385	19.3
71.05000	2.3
72.99301	5.8
73.02947	2.2
75.00880	17.1
83.01398	2.5
85.02962	19.3
87.00889	10.1
89.02452	8.2
93.03449	2.3
95.01396	6.3
96.95999	3.6
98.19902	2.8
99.00889	9.3
101.02446	4.7
103.00368	2.0
107.01403	2.8
107.16359	1.2
111.08165	1.9
113.02453	21.4
113.06096	2.0
115.00394	1.7
117.01920	1.7
119.03472	1.4
119.05032	5.7
125.02441	4.5
134.24437	1.1
137.02382	1.7
139.11273	11.4
143.03453	1.3
145.02954	1.2
146.87415	1.1
151.00394	11.3
161.02455	5.2
163.04095	1.4
169.01500	1.3
175.02618	2.3
183.10271	15.7
200.01033	1.8
209.11581	1.1
216.00626	1.6
229.01341	1.2
231.05017	2.8
239.41077	1.3
244.00148	2.6
247.02589	1.6
249.06180	27.4
250.06458	2.0
267.07227	9.2
271.06143	12.3
271.99619	1.7
281.07062	3.8
299.99112	48.9
300.99854	33.1
301.03305	1.8
302.00198	2.2
302.93631	1.2
313.07080	3.2
336.28644	1.4
343.07806	1.3
373.12863	2.0
415.16177	1.9
433.04251	33.1
433.11441	4.2
433.17081	100.0
434.04446	3.8
434.17331	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	433.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54248	9.0
71.60714	13.1
71.73836	9.6
103.53059	12.1
139.81502	10.9
165.01877	20.2
397.23880	100.0
398.24002	12.1
433.29581	66.2
457.88971	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	433.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08220	0.7
55.01525	0.7
55.01882	2.7
55.66251	0.8
59.01384	100.0
60.01720	1.3
71.01397	4.4
71.05016	4.3
72.01736	1.0
73.02949	1.2
73.54306	0.9
79.95763	0.9
83.01403	3.0
85.02966	2.2
87.00887	1.1
89.02470	2.3
96.96027	2.7
99.00884	0.7
101.02446	4.2
102.02774	1.0
103.02982	0.7
111.00893	31.2
113.02466	1.6
117.05589	59.3
118.05930	2.0
123.00944	1.4
123.04539	1.1
125.02462	8.3
126.02816	2.6
127.02965	1.8
139.00375	0.8
151.00372	1.1
155.63522	0.7
155.82872	0.8
161.04521	1.8
162.04942	0.9
169.01425	7.9
170.01768	2.7
171.01886	4.0
207.58038	0.8
267.82501	0.7
270.10443	0.8
271.10760	1.6
273.05139	1.2
313.05634	1.9
314.06088	2.3
315.06226	6.4
318.93674	0.9
433.12164	3.7
433.16385	4.8
433.24716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1353
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01870	1.0
57.03444	0.7
59.01379	5.9
59.06038	0.4
60.97300	0.5
67.01894	1.1
69.03456	0.9
71.01392	6.0
71.30007	0.7
72.99313	0.6
73.02963	2.0
79.01907	1.1
83.01385	1.5
85.02952	2.9
87.00886	0.9
89.02450	1.3
95.01391	2.0
97.02980	0.7
99.00870	1.0
101.02465	4.4
107.01383	3.8
111.00893	2.2
113.02457	2.9
119.07153	0.9
122.99983	0.6
123.00893	15.6
124.01657	1.5
125.02457	19.1
126.02730	0.5
127.00402	0.4
136.98807	1.1
137.96344	0.4
139.00391	6.2
140.01183	3.1
141.01924	1.9
151.00377	12.7
153.01974	0.9
154.16673	0.4
161.04559	1.2
168.00681	2.9
169.01439	23.7
170.01831	1.1
179.03468	0.5
181.04918	0.4
181.08743	0.7
195.65276	0.5
211.02556	2.1
249.90399	0.4
271.04544	2.9
271.07117	0.4
296.26648	0.5
307.16983	0.4
313.05646	1.8
318.09570	0.5
337.90381	0.4
373.14978	1.0
385.37048	0.4
433.13516	100.0
434.13882	12.1
434.19727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1353
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
53.02332	0.4
55.01864	0.6
57.03450	0.5
59.01387	7.0
61.98870	0.4
65.00327	0.3
66.12862	0.3
67.01900	1.1
69.03420	0.5
69.68161	2.3
71.01385	5.2
72.99299	0.6
73.02943	1.1
79.01898	1.0
82.90263	0.4
83.01389	1.5
84.45295	0.4
85.02958	2.9
87.00874	0.7
89.02443	2.1
95.01402	2.3
97.02934	0.8
101.02437	4.4
107.01399	4.1
108.13262	0.4
110.00127	0.5
111.00910	2.6
113.02457	2.1
119.03516	0.8
119.07164	0.6
123.00896	17.0
123.86006	0.4
124.01694	1.1
125.02453	20.0
126.02789	0.8
127.00340	0.8
136.98845	1.5
137.02458	0.7
138.88490	0.4
139.00374	6.5
140.01167	3.3
141.01988	2.4
151.00372	12.6
151.03929	0.6
152.00739	0.5
153.01974	0.8
154.99919	0.5
163.03983	0.6
166.99918	0.5
168.00633	3.9
169.01431	26.2
170.01797	1.4
179.03470	0.6
211.02502	3.0
215.94893	0.4
253.03568	0.7
271.04504	2.9
313.05679	1.8
336.98792	0.4
433.13513	100.0
434.13824	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94475	0.4
59.01368	1.8
60.79335	0.4
61.98851	3.6
63.02406	2.3
63.92840	0.4
65.00329	6.1
69.53014	0.4
69.55644	1.6
69.56071	2.3
71.01385	0.9
81.79800	0.5
83.01399	4.7
85.03968	0.5
89.02482	0.7
93.03474	9.5
97.52773	0.5
101.02334	0.4
107.01399	12.2
108.02222	0.6
119.05042	41.6
120.05382	2.0
121.02935	0.9
122.00973	0.5
125.02469	2.0
135.00873	0.5
145.02985	0.9
149.02461	1.5
149.54517	0.5
151.00386	47.1
152.00700	1.8
163.00426	0.9
165.01924	1.8
169.01430	1.1
175.00330	1.8
177.01965	5.9
178.99876	1.0
182.70992	0.5
185.06006	0.7
187.04088	1.0
193.01387	0.6
211.04019	0.6
216.04413	0.6
227.03517	0.5
227.07091	0.7
229.05190	0.6
243.02950	1.6
255.02977	5.3
271.02661	9.6
271.06125	100.0
272.03088	2.1
272.06461	9.5
295.06039	1.8
299.99164	4.0
300.02701	21.6
300.99887	3.4
301.03455	19.5
302.03827	2.0
303.56085	0.6
313.07138	2.5
433.08029	13.6
434.08115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	4.7
70.08224	3.7
83.01418	1.1
85.11147	0.8
88.72586	0.8
95.68690	0.9
95.84570	0.8
107.01377	2.2
109.02944	2.0
121.02969	3.2
123.00951	0.7
148.01634	1.6
150.30327	0.9
151.00394	14.4
152.15582	0.8
163.00375	2.3
169.01450	0.9
178.99886	8.1
190.99817	1.0
194.01051	0.7
211.03966	1.6
224.02574	0.8
226.02757	1.1
227.03503	3.6
229.05046	1.6
243.02940	9.5
244.03362	1.0
245.04549	2.0
254.02310	1.4
255.02991	23.2
256.03409	2.1
271.02493	42.1
272.02826	5.8
273.03967	1.4
283.02411	2.4
299.02090	1.1
300.02771	100.0
301.03516	95.2
302.03928	9.3
433.07758	48.6
434.08270	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69997	0.3
55.01839	0.5
57.03450	0.5
59.01385	3.9
60.22026	0.3
61.98784	1.1
65.00325	2.9
65.03934	0.6
67.01866	0.9
68.99792	0.7
69.27703	3.5
71.01393	1.6
71.04988	0.4
73.02904	0.7
79.95734	0.4
80.02653	0.5
81.03450	2.6
83.01414	1.9
83.04996	0.4
84.17788	0.3
85.02924	0.5
85.84415	0.4
87.00822	0.4
91.01861	0.5
93.03471	1.6
95.01399	1.6
96.96008	1.5
98.20628	0.7
99.00903	0.4
99.04520	0.3
101.02431	1.3
107.01359	0.5
108.02197	2.8
109.02960	8.6
110.00083	0.3
110.03326	0.4
111.00921	1.8
111.04542	0.3
113.02445	0.5
119.03506	0.5
120.99323	0.7
121.02924	0.5
123.00883	2.2
124.01723	1.5
125.02449	1.9
125.99551	0.7
127.00328	0.4
135.00906	0.8
136.01672	1.1
137.02454	44.9
138.02798	1.5
139.00398	3.3
139.04013	1.6
147.00793	0.3
149.99600	0.8
151.00366	3.4
151.04027	0.5
153.01958	1.0
153.05598	0.5
155.03514	1.8
161.04660	0.5
163.00392	9.3
164.01170	10.6
165.01942	59.6
166.02301	3.3
167.03397	0.3
176.01228	0.8
177.01958	0.9
178.99873	14.8
180.00636	3.5
189.01976	0.3
189.37146	0.4
191.03595	1.1
197.11958	0.4
206.99352	5.9
208.00142	87.4
209.00911	100.0
210.01276	5.9
213.15036	1.4
235.02670	0.4
237.09866	0.7
243.03104	0.8
246.98907	0.4
255.03160	1.4
271.02463	3.4
272.02817	0.4
273.12546	0.4
299.99335	6.5
300.02997	7.6
300.05920	0.5
301.00058	5.0
301.03674	3.1
313.10934	0.3
329.10419	0.8
335.12604	0.6
357.10068	1.6
373.09583	1.4
374.10315	0.3
389.12619	0.9
401.09183	1.3
433.04480	1.8
433.11984	11.3
433.22766	4.0
433.28140	0.6
434.12131	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	433.0416
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
50.32170	0.5
52.84876	0.5
57.03448	0.5
59.01390	0.8
66.46166	0.5
69.46246	4.3
71.01401	1.3
72.24870	0.5
85.02969	1.5
98.20563	1.1
113.02460	0.9
132.02200	0.6
136.24963	0.6
144.02165	0.6
160.01709	0.5
172.01674	2.0
176.01225	0.7
185.02422	1.0
188.01091	0.8
200.01163	2.0
201.01833	1.1
210.13718	0.5
216.00638	3.1
228.00626	1.9
229.01428	2.0
242.99315	0.9
244.00151	4.0
249.06143	0.7
250.93307	0.5
255.03108	1.3
257.00977	0.9
267.07315	0.8
271.02444	0.6
271.99591	2.0
273.00266	0.8
282.98822	1.3
283.99722	0.8
298.52942	0.6
298.98337	1.3
299.99121	100.0
300.99857	58.7
302.00296	4.4
312.28644	0.5
433.04089	68.4
434.04333	8.7
434.16687	0.7
438.15790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	1.0
69.51515	2.9
69.51917	1.2
93.03431	0.5
98.20628	0.5
107.01405	1.4
108.02195	1.2
109.02995	1.1
121.02979	0.5
148.01672	1.8
151.00378	6.6
163.00372	2.2
164.01146	0.7
178.99940	3.4
187.04243	0.6
199.04059	1.1
203.03490	0.8
211.03886	0.6
216.04250	0.7
226.02728	1.1
227.03481	3.0
243.03004	11.6
244.03461	1.4
254.02185	1.9
255.02985	25.2
256.03387	1.6
271.02493	52.5
272.02866	6.9
273.04343	0.6
283.02432	1.1
299.01923	1.2
300.02768	100.0
301.03391	32.0
302.03833	2.5
433.07761	51.1
434.08063	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	432.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88141	1.1
61.98833	100.0
85.02956	2.4
98.19806	2.6
147.56517	1.4
151.03864	1.2
154.83784	1.4
189.04185	1.3
193.05219	1.4
214.39262	1.4
307.35715	1.5
345.20734	2.1
369.20654	17.1
370.20984	4.1
415.20880	2.4
432.28009	2.6
436.69354	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	432.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31717	1.6
54.10911	1.8
57.54821	1.6
59.39125	1.8
61.98835	100.0
69.75591	4.5
69.76013	6.4
98.19955	2.6
139.03996	2.2
146.60428	1.7
153.05501	1.8
261.34122	2.0
306.67438	2.0
369.20651	15.4
433.29529	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	432.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23474	1.5
57.03460	5.0
59.01383	12.5
60.43441	1.1
61.98832	17.6
65.00339	1.3
67.01894	1.5
68.99825	1.3
69.03467	1.6
69.34187	3.4
69.34601	6.9
70.82232	1.2
71.01390	1.7
71.05016	1.6
71.53318	1.3
73.02972	1.5
76.60393	1.2
78.95915	7.4
81.03458	2.5
83.01415	2.4
83.05029	1.6
85.02953	39.3
85.03449	2.2
86.03302	1.8
87.00891	10.1
95.05053	2.2
97.02972	2.8
98.20631	2.9
107.05036	2.6
109.02921	1.7
111.00868	3.0
112.01254	1.4
113.02456	7.4
123.04543	2.7
124.01678	5.3
125.02483	16.1
135.04538	21.9
135.05498	1.8
139.04027	16.8
140.04396	4.9
141.01942	4.4
151.00381	2.9
152.01201	4.5
152.99611	10.4
153.01779	1.3
153.05621	3.0
154.65860	1.2
154.91539	1.2
165.01939	2.0
166.02618	1.6
167.03532	3.0
180.03976	1.5
181.05112	2.1
208.61691	1.2
223.09714	1.4
231.17543	3.4
236.10052	1.5
243.53065	1.3
273.18713	4.5
299.99179	4.1
300.02576	2.7
300.99966	2.8
332.19632	2.0
332.23111	2.4
333.20709	1.4
344.19397	5.9
345.20721	100.0
351.51425	1.4
369.16995	1.3
371.22232	3.4
372.22794	5.3
373.20163	8.9
386.24091	3.0
414.23813	4.9
415.21222	21.1
418.31073	2.1
431.24487	1.7
432.24823	49.6
433.03955	2.8
433.25830	11.8
433.33374	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	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18427	0.6
53.50130	0.6
59.01382	6.6
59.87350	0.6
60.01707	0.7
61.98834	100.0
69.52988	4.2
71.01391	1.6
83.01364	0.9
88.09586	0.8
89.02464	1.7
101.02435	0.7
107.01377	1.5
125.02429	1.0
128.74973	0.7
151.00330	3.6
158.96991	0.7
163.00406	1.0
178.99878	1.4
227.03593	0.9
243.02974	3.6
255.02943	9.1
255.05290	0.8
260.54349	0.9
271.02487	18.9
299.99332	2.9
300.02740	33.3
301.00204	1.4
301.03583	12.4
391.20322	0.7
432.15872	3.6
433.02878	1.0
433.07938	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.4
58.03802	0.3
63.38366	0.2
64.24273	0.2
65.00329	0.5
68.81411	0.2
69.52063	1.4
75.70979	0.2
81.03461	1.4
83.01395	7.2
92.65168	0.2
93.77610	0.2
99.42336	0.2
107.01405	0.6
109.02930	0.2
121.02943	0.4
121.06568	0.2
123.04525	1.2
125.02450	100.0
126.02780	4.1
127.03960	0.2
149.02440	1.4
149.06099	1.5
151.00397	0.5
162.16524	0.2
167.03488	1.7
169.13829	0.2
211.35788	0.2
253.25356	0.2
286.93787	0.2
305.24850	4.2
306.25162	0.6
355.31180	0.2
371.25574	0.3
375.24692	0.2
387.28564	0.2
388.25708	1.2
389.26004	0.2
393.13608	0.2
413.26648	0.6
431.27936	6.8
431.34796	0.4
432.28513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01377	1.5
65.41232	0.5
65.85412	0.6
67.01902	0.6
71.05019	4.6
71.31887	0.6
81.03477	0.8
83.05026	2.0
85.02953	2.2
99.04517	3.6
105.14531	0.5
107.05026	1.0
109.02961	4.3
111.04518	2.0
113.02505	0.7
122.03701	0.9
123.04515	1.8
125.02476	1.0
125.06103	2.0
126.23084	0.5
127.04024	6.2
135.00882	1.1
135.04584	0.6
137.02428	0.9
145.26715	0.5
149.02455	1.2
150.03253	0.7
151.04024	4.9
152.04747	1.3
152.93082	0.7
153.01952	1.0
153.05618	2.1
161.06075	0.7
163.04036	0.7
164.04794	0.7
167.03432	1.2
177.01917	0.9
177.05594	0.6
178.02660	1.6
178.06329	0.6
179.03329	0.5
182.02194	0.8
191.03409	0.6
205.05092	1.0
279.23236	1.4
303.23294	3.3
343.26373	0.7
369.27975	2.1
371.25912	6.8
372.26382	2.2
375.25473	3.9
376.26022	0.8
385.27490	7.5
386.27832	1.5
387.29123	1.7
389.26657	1.5
413.26974	25.2
414.27213	4.4
416.25662	2.0
431.28024	100.0
432.28336	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	431.2803
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
55.01871	1.0
57.03437	2.2
59.01376	3.2
60.39040	0.6
61.98838	6.4
65.03904	0.6
69.72240	4.4
69.72563	0.8
71.05031	6.4
80.28084	0.6
81.03452	3.2
83.01402	1.6
83.05035	6.6
85.02949	5.6
85.06565	0.8
96.02219	0.8
97.02952	1.5
97.06590	2.2
99.04517	12.1
103.60037	0.6
107.05020	1.2
109.02963	5.3
109.06579	1.5
110.03752	0.9
111.00906	0.9
111.04527	3.8
113.02451	2.5
123.04524	2.6
125.02425	1.0
125.06075	2.2
127.04022	22.8
135.04535	0.9
137.02446	2.3
137.06105	0.7
151.04018	4.4
152.04807	3.1
153.05533	1.9
164.04724	1.0
165.05600	0.9
167.03497	5.6
169.05112	3.1
178.06384	0.8
195.06651	1.0
261.22278	1.2
268.55496	0.7
270.16406	0.6
279.23288	1.3
303.23343	7.8
304.23792	0.9
315.23221	1.0
331.26382	1.3
345.27963	2.0
369.28156	1.9
371.25946	11.8
371.30450	1.3
372.26498	5.2
373.23776	1.7
375.25256	4.5
385.27490	2.9
387.29126	5.2
388.29959	0.9
389.27045	4.5
413.27029	2.6
431.28006	100.0
432.28348	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	431.2803
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
55.24268	0.5
56.61502	0.5
56.73842	0.5
59.01376	1.6
61.98814	0.6
62.97385	0.5
69.66275	2.1
69.66675	1.1
71.05017	2.5
79.01910	0.9
81.03461	1.0
83.01369	0.6
83.05025	2.1
85.02963	1.6
95.01416	0.5
97.02979	1.1
97.06564	0.6
99.04520	5.0
105.03497	0.8
107.05030	0.8
109.02963	2.9
111.04469	1.2
121.20032	0.5
122.03718	0.5
123.04522	1.2
125.02406	1.0
125.06126	1.0
127.04018	7.9
129.46812	0.5
135.04552	0.6
135.68231	0.5
137.02470	1.9
138.03235	7.4
139.04033	1.3
149.06070	0.8
151.04015	1.8
151.69380	0.5
152.04791	1.9
153.05594	16.7
154.05910	0.9
160.66380	0.5
164.01126	0.9
165.01913	4.4
165.05611	1.1
166.02724	9.2
167.03403	1.6
169.05016	0.9
170.02254	0.5
173.96004	0.5
179.03479	3.8
180.04269	3.4
191.81009	0.5
193.05063	5.2
194.05722	0.8
205.12274	0.7
207.06693	0.9
235.09885	0.7
249.11375	1.6
299.20227	0.9
303.16077	1.0
303.23520	2.6
315.23291	0.9
329.17404	0.8
343.19116	5.3
343.26025	0.6
344.19357	0.7
345.27988	0.7
359.22235	2.9
371.25946	3.4
372.26526	1.3
375.25385	1.2
387.29071	1.5
389.26953	2.0
413.27008	1.9
431.28027	100.0
432.28418	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	431.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17561	0.7
57.03443	1.4
59.01371	2.4
61.72484	0.6
69.03455	0.6
70.92635	1.2
71.05019	4.8
81.03455	2.4
83.01378	1.2
83.05028	4.4
85.02960	5.2
95.01376	1.0
96.02145	1.2
97.02982	1.3
97.06595	1.3
99.04523	13.3
101.20586	0.6
107.05023	1.6
108.02184	0.8
109.02970	5.7
111.04517	3.0
113.02431	1.8
123.04488	1.7
125.02448	1.3
125.06051	1.8
127.04015	21.0
134.91006	0.7
136.05373	0.8
137.02403	1.6
151.03990	3.9
152.04752	2.3
153.05565	1.1
157.51564	0.6
164.04744	0.8
165.05598	0.7
167.03500	5.3
167.44376	0.5
169.05037	1.8
178.06369	0.6
279.23227	1.3
303.23331	8.5
304.23639	1.0
315.23145	0.7
329.25049	0.9
345.27832	1.8
357.24338	0.7
369.28268	0.7
371.25879	10.1
372.26486	3.8
373.23822	1.9
375.25403	4.8
385.27402	2.6
387.29269	4.7
389.26923	3.1
390.27640	0.7
413.26981	3.1
414.27130	0.9
431.28018	100.0
432.28339	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	431.244
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
55.01890	0.5
57.03461	2.0
59.01398	0.6
71.05029	6.2
73.02946	1.7
77.03997	0.3
79.01894	1.7
80.53613	0.4
81.03463	0.7
83.01404	0.6
83.05043	0.6
87.87597	0.4
93.03505	0.7
95.01385	0.5
95.05030	10.2
97.02946	4.0
97.06592	1.6
103.56193	0.4
109.02970	0.8
111.04526	0.4
119.05134	0.4
121.02970	1.2
122.03789	0.8
124.01653	0.4
125.02459	0.8
135.04526	0.4
136.05295	0.5
137.02434	0.6
138.03250	0.9
138.21849	0.3
139.04025	48.1
140.04390	1.6
147.96931	0.4
149.06099	0.4
152.01184	0.6
165.01950	3.2
166.02737	4.9
179.03535	0.6
180.04289	2.6
193.05070	2.7
194.05466	0.4
196.01692	0.4
198.01759	0.6
205.16010	0.4
207.06691	0.8
235.09740	0.6
245.19139	0.5
247.17253	0.4
249.11382	0.7
259.17191	0.8
261.18484	0.7
271.20795	0.8
273.18723	0.5
287.20129	0.5
313.21777	5.1
314.22241	0.7
317.17508	0.6
343.19064	1.2
355.19278	0.8
357.20703	3.6
395.22623	0.4
413.23410	5.3
414.23581	0.5
431.24387	100.0
432.24704	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	431.2439
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
50.04496	0.4
51.95975	0.4
54.14962	0.4
55.01885	0.5
57.03454	2.9
59.01369	0.8
61.00962	0.4
69.03444	0.8
69.72088	1.7
71.05024	6.3
72.99478	0.4
73.02948	2.0
79.01893	2.1
81.03478	0.9
82.84705	0.4
83.01390	0.5
83.05023	0.6
85.02934	0.4
93.03458	0.7
95.01402	0.9
95.05034	10.9
96.05370	0.4
97.02956	4.7
97.06596	1.7
98.18994	0.3
109.02917	0.6
109.06609	0.4
116.82362	0.5
121.02948	1.2
122.03723	1.0
124.01647	1.3
125.02441	1.7
135.04529	0.7
136.05287	0.7
137.02440	0.8
137.06082	0.5
138.03221	1.1
139.04018	43.6
140.04332	1.9
151.00352	0.6
152.01158	1.2
164.60547	0.4
165.01945	3.5
166.01460	0.4
166.02727	5.0
179.03554	1.6
180.04256	3.3
191.10977	0.5
193.05049	3.7
194.05850	0.6
198.01732	0.7
205.57298	0.4
207.06584	0.9
221.08209	1.0
235.09740	1.5
247.16852	0.6
249.11221	0.6
261.18243	0.5
271.20782	0.4
273.18555	0.5
287.20227	0.6
294.38638	0.4
313.21750	4.4
314.22028	0.7
325.21600	0.7
339.19455	0.6
343.19037	1.8
355.19040	0.7
357.20721	3.3
387.21527	0.5
390.15024	0.4
413.23502	4.6
414.23422	0.7
431.24384	100.0
432.24713	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03450	1.9
69.68273	2.0
71.05023	0.9
79.01897	2.7
81.03474	0.5
85.06598	6.4
91.05567	0.8
93.03437	0.7
97.02946	1.8
107.05009	1.0
109.02975	0.5
109.06598	7.9
109.80672	0.4
111.03796	0.6
111.04526	8.2
112.04858	0.6
114.61013	0.4
123.04425	0.5
135.04527	3.8
136.05313	1.4
138.03156	0.4
146.84412	0.4
149.06104	1.0
150.06860	0.7
151.04031	1.1
152.04712	0.4
153.05586	44.6
154.05940	2.0
156.46780	0.4
162.06903	0.4
175.04066	0.4
179.03519	2.9
180.04283	2.3
193.05109	0.5
194.05751	1.0
207.06595	1.2
259.20700	1.5
263.12900	0.4
273.22284	1.0
286.19269	0.5
297.22308	0.5
300.20880	0.9
307.02783	0.4
313.21738	0.5
315.23352	6.9
316.23666	1.4
317.17474	0.7
359.22263	3.4
360.22589	0.7
387.29147	1.3
413.26956	0.9
419.49167	0.4
431.28015	100.0
432.28354	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19345	0.5
57.03460	0.6
59.01382	100.0
59.89643	0.5
60.01716	1.2
69.29851	1.4
69.30273	3.2
71.01382	6.6
73.02960	1.1
84.26309	0.5
85.02962	2.8
87.00896	0.6
89.02447	5.0
96.96037	2.3
98.19851	1.2
98.95631	1.0
99.00919	0.7
101.02440	6.7
101.02999	0.7
106.73160	0.6
113.02476	2.2
119.03504	5.2
125.02481	1.3
137.25301	0.5
143.03566	0.8
144.42886	0.5
161.04564	3.8
165.12857	1.9
179.05588	0.8
186.04594	0.5
191.14455	1.8
209.11841	0.9
209.15540	1.2
231.14017	0.6
231.30710	0.5
234.93915	0.5
246.98947	1.0
257.15594	0.9
267.07068	0.5
275.16553	2.1
293.17529	0.7
311.65530	0.6
312.05072	0.5
321.81384	0.5
327.18188	2.5
329.69598	0.7
347.81311	0.5
371.20764	3.2
431.06076	0.7
431.12851	0.7
431.21747	1.5
438.10574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2438
Annotation	Wortmannilactone D
Peak:m/z	Relative Intensity
55.96069	0.7
57.03448	5.8
59.01385	2.0
63.02383	0.9
65.00315	1.3
65.91437	0.7
70.52293	1.5
70.52658	1.8
71.05031	6.7
78.95907	11.3
79.01892	2.1
81.03460	1.3
83.01403	3.7
83.05042	1.3
85.02959	2.5
95.01414	1.7
95.05032	9.5
97.02940	2.5
97.06588	1.1
104.47459	0.7
112.96445	0.7
121.02981	1.7
123.00886	0.8
123.04514	0.9
124.01667	12.4
125.02451	43.0
126.02771	1.1
135.04547	0.9
135.43875	0.8
137.02457	1.5
139.04019	50.5
140.04315	1.6
149.02446	0.9
151.00375	2.2
152.01175	7.2
152.99605	19.2
153.05585	1.1
157.58632	0.9
165.01909	7.1
166.02696	3.7
167.03468	1.4
171.00656	1.1
179.03493	4.8
180.04208	1.4
193.05098	2.2
210.75877	0.9
223.02129	0.8
235.09781	0.9
287.20239	1.6
305.17511	1.2
341.17712	1.3
343.19064	6.9
343.52658	0.7
344.19717	0.8
357.20691	6.9
358.20914	1.2
369.20917	1.8
371.18585	1.6
387.21613	1.8
399.21918	1.2
413.23428	15.5
414.23752	2.5
431.24445	100.0
432.24805	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.6
59.01383	100.0
59.80106	0.4
60.01719	1.4
61.98828	2.3
69.50465	4.1
71.01380	5.9
71.01712	0.6
73.02960	1.5
75.80681	0.5
83.01397	1.1
85.02965	2.3
86.71114	0.5
87.00904	0.8
89.02449	4.9
95.01416	0.5
99.00864	1.1
99.93845	0.5
101.02446	7.0
113.02477	2.1
119.03507	3.3
125.02531	0.6
125.44070	0.6
137.02452	0.5
161.04576	4.7
165.09302	0.7
165.12930	1.3
167.06207	0.5
179.05681	0.9
181.01442	0.6
181.12386	0.6
191.14510	1.4
202.99933	1.0
209.15616	0.7
227.03555	0.9
229.01579	0.7
230.02168	0.9
240.04266	0.7
241.05075	0.8
245.01028	0.6
245.08246	1.0
246.98923	2.0
255.03090	1.6
257.15515	0.9
269.04633	0.8
269.08295	1.7
271.02371	0.7
273.07767	2.2
274.01291	0.9
275.16739	1.2
293.17752	0.7
297.07834	1.2
298.04800	0.6
299.02249	0.6
299.09109	0.6
327.18213	1.1
342.12631	0.9
343.08163	1.2
353.20139	0.6
355.08325	2.2
371.20767	2.6
387.10962	1.4
396.61417	0.6
431.05792	9.3
431.11722	0.6
432.06223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2076
Annotation	(-)-Chrolactomycin
Peak:m/z	Relative Intensity
55.01905	2.6
57.03448	10.1
59.01388	14.4
60.95247	2.2
61.98819	4.6
69.03460	6.3
71.01419	2.0
71.05022	14.5
78.95901	4.5
79.01881	5.2
81.03454	8.2
83.01379	2.8
83.05037	11.3
85.02960	11.2
85.06637	3.1
85.47965	2.1
90.81105	2.2
95.01414	2.5
95.05035	8.4
97.02956	8.8
99.04528	15.8
107.05051	3.7
109.02951	19.9
109.06586	4.5
111.04507	10.5
113.02455	4.9
123.00863	2.6
123.04527	32.8
124.01689	4.5
125.02461	30.2
125.06071	8.4
127.04030	27.4
135.04587	4.1
135.08124	2.5
137.02423	2.9
137.06070	3.5
137.09749	3.1
138.03212	7.3
139.04039	22.0
139.07660	3.0
145.02919	2.2
145.06627	2.0
149.02438	3.8
151.00386	11.8
151.04025	14.4
152.04840	3.9
152.99585	6.4
153.01933	30.9
153.05586	12.5
163.04037	3.7
164.04811	4.7
165.01921	3.2
165.05606	3.5
166.02728	6.4
167.03516	29.9
169.05077	3.7
171.02982	6.0
178.02728	5.5
179.03500	4.6
179.10776	3.4
180.04288	3.6
181.05061	18.5
191.07149	30.4
192.07436	3.7
193.05032	3.5
196.03720	3.2
205.05089	11.9
206.09491	2.5
207.06662	4.7
207.10233	3.0
209.08202	47.8
210.08679	2.7
217.15939	2.4
219.14050	3.2
220.07584	2.4
223.05991	5.1
223.09621	3.0
225.08794	2.1
233.08130	5.7
235.09688	3.7
245.11781	3.5
251.09200	6.4
263.12881	53.2
287.12827	2.5
288.13467	3.0
289.14554	8.7
299.20157	5.0
301.14487	2.7
303.16153	2.8
303.92786	2.2
306.14789	11.4
338.13531	7.5
343.19070	9.3
347.70767	2.3
355.22601	3.3
371.18329	4.5
375.18063	5.9
387.21194	10.4
387.25900	3.8
403.21381	3.0
413.19318	20.2
428.25565	2.7
431.19952	100.0
431.25320	17.3
431.32095	7.1
432.20209	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	431.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24537	1.7
52.53993	1.5
55.01878	1.6
57.03459	3.5
59.01392	5.9
71.05032	6.5
71.37743	2.7
79.01903	3.5
81.03474	2.3
83.01383	3.8
83.05019	2.1
85.02962	3.3
93.03472	6.2
95.05054	16.2
97.02982	3.1
97.06611	2.0
99.04523	1.7
107.05032	4.1
109.02952	21.3
109.06603	23.7
111.04552	2.0
121.02956	2.5
123.04530	6.4
124.01689	4.8
125.02460	52.8
125.06075	2.5
126.02802	1.9
127.04030	5.3
135.00908	4.8
135.08228	2.0
136.09995	1.5
137.02477	3.1
138.03236	6.0
139.04027	41.0
139.10008	1.5
148.24220	1.5
151.00395	7.2
151.04027	33.0
152.01195	2.0
152.04831	2.2
153.01970	2.6
153.05553	2.7
163.04019	2.3
165.01927	5.6
166.02736	4.9
167.03520	9.1
170.02219	2.3
175.03911	2.1
177.05608	1.6
179.03511	14.1
179.10803	2.2
183.02985	1.5
191.07152	2.8
191.10773	2.3
193.05121	4.0
195.02954	4.6
195.06667	1.9
207.06670	5.9
209.08199	3.8
209.22391	1.8
210.74451	1.6
221.08231	2.6
233.08177	2.7
249.11226	2.0
261.07782	2.2
261.11383	4.2
262.12122	3.7
263.12927	7.6
275.12561	1.9
275.20145	2.8
287.13077	2.6
289.14453	3.4
303.12454	2.3
305.13959	6.1
306.14734	2.3
306.39523	1.6
307.15494	2.0
317.13965	17.8
318.14264	2.3
331.11783	2.8
353.17563	2.3
359.14972	2.0
369.24246	2.1
371.18634	60.3
372.19250	7.7
413.19492	7.6
414.20474	17.4
415.20840	3.0
431.24896	100.0
432.25308	17.7
446.19489	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.0
57.03451	7.3
58.00605	1.6
59.01101	1.3
59.01386	23.6
69.03446	3.6
69.74252	2.3
69.74657	4.4
71.01391	9.9
71.05023	1.4
73.02952	1.9
83.01421	1.6
85.02960	19.9
87.00941	1.3
89.02467	3.6
93.07096	2.4
99.04563	1.7
101.02439	3.7
103.04018	36.7
109.06586	1.8
111.08185	2.3
111.08949	1.0
113.02434	2.0
114.75084	1.1
119.03520	1.5
123.08128	1.7
125.06113	1.0
127.07674	9.3
128.20543	0.9
137.06105	7.3
139.11287	8.5
145.05061	1.4
146.02571	0.9
155.07135	5.1
158.67242	1.0
165.09164	2.0
175.10158	0.9
183.10272	17.4
184.10559	1.7
197.11833	6.3
209.11833	1.5
225.11339	9.3
227.07097	1.1
247.08202	2.4
251.12831	1.4
255.02963	1.5
259.41919	1.1
265.09299	12.9
269.14008	8.4
271.07516	1.0
277.33194	0.9
341.05402	1.0
348.44122	1.1
431.19226	100.0
432.19547	14.7
444.64160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2076
Annotation	Epigrandisin
Peak:m/z	Relative Intensity
52.44549	0.5
53.06400	0.6
57.03452	6.5
59.01368	1.8
60.02625	0.5
62.37375	0.5
65.00329	1.0
70.12411	2.0
71.05025	4.0
71.18165	0.6
73.72929	0.6
79.01900	0.7
81.03442	2.3
83.01404	6.1
83.05006	1.9
87.18473	0.5
93.03466	0.7
95.05055	1.2
97.02956	1.2
99.04521	2.1
107.01382	0.7
107.05032	1.0
109.02962	2.8
109.06591	1.1
111.04509	1.1
121.02894	0.8
122.03764	1.1
123.04552	3.3
124.05314	8.2
125.02457	64.6
125.06076	1.5
126.02787	2.3
127.04036	5.0
138.03206	1.0
139.03992	1.0
141.01872	0.7
149.02470	1.0
151.00386	1.7
151.04041	3.7
152.04759	2.4
153.01945	7.1
153.05580	3.3
164.04832	1.5
165.05519	1.0
166.02679	0.8
167.03497	11.7
169.05077	0.9
177.01886	0.7
177.05583	0.9
178.02724	5.4
179.03380	1.2
179.07176	0.8
180.04248	0.9
181.05055	5.4
191.07146	10.4
192.04152	0.9
192.07365	0.9
193.05095	0.6
195.06682	0.6
196.03737	0.7
205.05067	4.3
206.09508	1.0
207.06654	1.3
209.08183	13.8
210.08580	1.4
219.06636	0.9
223.06136	1.7
233.08214	0.7
234.08875	1.5
235.09550	0.9
237.07745	1.0
245.11775	2.6
247.13258	1.2
251.09216	2.2
260.14099	0.9
261.14951	1.1
263.12906	15.6
264.13120	1.6
273.11319	0.8
288.13647	2.5
289.14380	4.5
290.15042	0.6
306.14789	2.8
307.15366	0.8
338.13580	1.0
371.18616	1.5
373.16531	1.1
375.17990	0.9
413.19781	7.8
414.19516	0.8
431.20728	100.0
432.20996	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03443	0.4
58.00597	0.2
59.01098	0.3
59.01385	4.9
60.01705	0.2
61.98808	0.4
65.00314	0.4
67.01898	1.1
68.99818	0.2
69.03468	0.5
70.89950	0.6
71.01388	5.5
71.19374	0.3
72.99314	0.5
73.02952	2.1
79.01916	1.1
83.01394	1.4
85.02956	2.7
87.00880	0.9
89.02478	1.2
95.01417	2.2
97.02962	0.8
99.00891	0.7
101.02449	4.6
103.61713	0.2
107.01398	3.8
111.00896	2.1
113.02457	2.4
119.03493	0.4
123.00897	15.6
124.01831	1.1
125.02457	17.0
126.02806	0.5
127.00414	1.0
136.98795	1.9
137.02475	0.6
139.00377	4.8
139.04002	0.3
140.01180	3.3
141.01955	2.4
151.00378	12.6
152.00690	0.7
153.01892	0.7
154.99832	0.3
159.03064	0.3
161.04547	0.4
163.04050	0.4
168.00645	3.7
169.01433	21.8
170.01761	1.0
179.03569	0.3
181.05046	0.4
197.04642	0.3
211.02504	2.1
253.03622	0.3
271.04596	2.5
304.82278	0.2
313.05716	2.1
342.26273	0.2
347.27396	0.3
363.92117	0.2
431.15579	100.0
432.15933	13.2
455.92358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44993	0.4
53.70387	0.4
54.80882	0.3
55.01868	0.5
57.03453	0.6
57.22785	0.4
57.76070	0.4
59.01096	0.6
59.01386	10.9
67.01884	0.9
68.99797	0.5
69.03467	0.5
71.01392	8.3
72.99299	0.9
73.02963	2.0
74.33074	0.4
75.00855	0.6
79.01897	1.4
83.01394	1.6
85.02957	4.0
87.00869	0.5
89.02454	5.9
93.03465	0.6
95.01385	2.8
96.95982	0.9
97.02927	0.4
99.00876	1.2
101.02454	6.1
102.02834	0.4
107.01405	4.1
108.17216	0.5
111.00908	2.6
113.02457	4.4
119.03511	2.6
121.02964	1.1
121.81855	0.4
123.00894	15.9
124.01662	1.3
125.02454	18.5
126.02782	0.9
127.00376	1.1
129.25249	0.4
136.98830	1.6
137.02419	1.8
139.00404	5.1
140.01172	3.9
141.01936	1.6
141.69327	0.4
143.03465	0.5
150.70976	0.4
150.99162	0.8
151.00378	13.3
151.04121	0.5
152.00761	0.5
153.01886	2.2
161.04564	1.0
163.04051	0.4
165.09262	0.6
168.00647	4.0
169.01436	23.5
170.01764	0.9
179.05560	0.9
181.05046	0.6
197.04506	0.4
211.02605	0.9
223.02588	0.4
229.37045	0.5
271.04657	1.5
313.05603	1.8
431.15588	100.0
432.15936	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35499	0.3
55.01870	0.8
57.03442	1.1
59.01385	6.3
61.95824	0.3
66.06518	0.3
67.01894	0.7
69.03461	0.6
71.01388	5.0
72.99304	0.9
73.02939	1.6
75.00878	0.4
79.01884	1.0
83.01399	1.8
85.02959	2.5
86.00081	0.3
87.00869	0.7
89.02443	2.4
93.03470	0.3
95.01397	2.5
96.96014	0.6
97.02966	1.0
98.19796	0.5
98.95597	0.5
99.00858	0.7
101.02457	4.3
107.01393	4.2
107.28915	0.4
111.00870	2.2
113.02462	1.9
115.07637	0.4
117.05573	0.3
119.03520	0.6
123.00898	16.6
124.01648	1.2
125.02459	15.3
126.02775	0.9
127.00343	0.8
136.98814	1.4
137.02464	0.8
139.00389	5.9
140.01212	3.6
141.01968	2.4
151.00380	11.6
151.03944	0.3
152.00717	0.5
153.01932	1.3
161.04564	0.7
163.04015	0.5
167.03496	0.4
167.71922	0.3
168.00633	3.6
169.01439	21.2
170.01775	0.9
179.03601	0.3
179.10919	0.3
181.05107	0.6
183.02953	0.4
205.12384	0.3
209.04350	0.3
211.02463	1.6
227.12865	0.4
253.03546	0.4
271.04587	1.4
313.05670	1.7
351.13449	0.5
431.15585	100.0
432.15939	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61948	0.4
55.01884	0.8
59.01385	5.7
67.01886	0.9
68.99813	0.5
69.03452	0.6
69.25330	2.2
69.25753	0.9
71.01385	4.8
71.44588	0.3
72.99319	0.8
73.02937	1.9
73.91342	0.4
78.48461	0.4
79.01900	1.2
83.01405	1.6
85.02967	2.5
87.00894	0.9
89.02419	1.8
95.01405	2.4
96.96067	0.3
97.02944	0.8
99.00889	0.7
101.02451	4.2
107.01384	3.6
109.02972	0.4
110.00105	0.6
111.00882	3.7
113.02463	1.7
117.05606	0.8
119.03496	0.4
121.02977	0.4
123.00895	17.6
124.01727	2.2
125.02456	17.4
125.03391	0.5
126.02804	0.6
127.00396	1.2
136.98840	2.1
137.02454	0.8
139.00377	6.2
140.01163	4.7
141.02002	2.5
144.44708	0.3
149.99622	0.4
151.00380	13.6
153.01968	0.8
163.04057	0.4
167.03465	0.7
168.00655	6.0
169.01437	23.8
170.01860	0.9
171.21579	0.4
179.03484	0.6
181.05099	0.5
211.02437	1.7
271.04645	1.2
272.90826	0.4
279.10962	0.8
284.66592	0.3
306.11118	0.4
313.05637	1.9
431.15686	100.0
432.16040	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98141	0.8
57.03451	4.8
59.01383	12.4
67.01884	1.9
69.03456	2.5
70.76833	1.3
70.77177	2.0
71.01389	10.0
71.05025	7.6
73.02949	1.9
79.01900	1.1
80.37439	0.7
81.03461	1.3
83.01378	3.2
85.02950	4.5
86.33421	0.8
87.00882	1.0
89.02442	5.0
95.01387	4.1
96.96024	1.4
97.02930	1.9
99.04501	3.5
99.43985	0.8
101.02460	6.2
101.43382	0.8
103.04005	2.5
107.01429	4.5
108.02143	2.0
109.02967	6.4
110.00054	1.0
111.00848	3.4
113.02475	4.2
117.05583	45.6
118.05928	1.9
119.03491	1.7
123.00092	1.2
123.00902	13.2
123.04541	4.3
124.01714	2.0
125.02452	82.6
126.02772	3.2
127.00365	1.4
130.07993	0.8
133.36951	0.9
136.98770	2.3
137.02405	2.7
139.00363	9.4
139.03969	1.7
140.01201	4.1
141.01920	2.7
151.00385	11.4
151.03995	7.7
152.01103	1.6
153.01955	9.3
153.09259	1.1
154.02657	2.6
154.99852	0.9
161.02408	3.7
161.04575	1.9
163.04028	1.0
165.01851	0.8
166.99902	1.2
168.00638	8.7
168.04234	1.5
169.01430	100.0
170.01772	4.3
175.04028	1.7
177.01994	0.8
179.03484	1.1
183.02956	3.0
195.03004	6.8
197.70944	0.8
205.04951	1.0
210.01700	2.0
211.02473	13.5
212.02771	1.2
225.04074	2.8
245.08231	0.8
249.79184	0.8
255.05136	4.4
265.09256	3.4
271.04593	14.1
279.10825	2.7
285.06079	2.0
287.05792	1.4
289.07159	3.9
295.10373	3.5
313.05670	3.1
335.02359	0.8
343.07950	1.5
407.07526	1.4
431.10974	18.1
431.16367	68.9
432.06824	1.1
432.16696	8.1
449.08667	1.1
451.26364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.7
57.03453	9.6
58.00612	2.0
59.01378	46.9
69.03442	1.4
69.67979	9.0
71.01385	65.0
71.05021	1.2
72.99310	3.2
73.02950	20.6
75.00887	1.9
83.01369	11.2
85.02951	32.1
87.00865	3.1
89.02447	21.2
91.22121	1.5
95.01393	3.9
96.96018	1.7
97.02951	4.5
99.00888	6.6
99.04508	3.0
101.02441	68.3
107.01385	8.0
111.00890	3.9
113.02451	26.5
117.05570	5.5
119.03529	6.5
123.00900	14.7
124.01680	1.7
125.02448	68.8
126.02767	2.3
129.01878	1.2
131.03514	1.4
139.00351	5.3
139.04028	2.0
140.01125	3.1
141.01981	2.0
143.03490	4.6
151.00365	12.7
153.01897	1.3
159.02986	5.1
161.04570	28.5
165.01978	1.7
168.00684	7.2
169.01425	100.0
170.01732	5.4
179.05670	2.3
180.04375	2.4
195.06465	1.8
211.02454	7.6
213.07571	2.6
241.03528	5.6
269.07343	2.7
269.10287	47.5
270.10632	2.9
271.04608	20.5
284.25098	1.6
313.05646	75.1
314.05975	5.2
371.09711	2.6
431.11105	17.9
431.16501	49.4
432.11099	2.7
432.15814	6.0
456.53391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03545	1.7
58.00673	0.7
59.01152	1.8
59.01485	6.5
67.01997	0.8
69.03542	1.2
71.01500	5.6
71.04758	1.0
71.05132	2.0
73.03045	1.0
79.02004	0.7
81.03562	0.8
83.01474	1.1
85.03069	2.5
87.00966	0.7
89.02555	5.2
95.00961	0.5
95.01511	1.9
96.96101	0.9
97.03056	2.0
99.04601	2.2
101.02453	4.3
103.03481	0.6
103.04123	2.1
107.01398	3.3
109.03036	1.3
110.00134	0.7
111.00979	2.0
112.69244	0.5
113.02451	2.7
117.05585	14.7
119.03596	1.7
123.00914	5.4
123.04601	1.1
124.01768	2.3
125.02457	66.6
126.02856	1.6
127.00475	0.7
127.05974	0.5
136.98833	0.9
138.06921	0.5
139.00391	4.8
139.04086	1.7
140.01244	2.1
145.62115	0.6
151.00374	3.4
151.04062	2.9
151.07634	0.6
153.01927	5.0
153.09232	1.7
154.02698	2.5
161.02434	1.2
161.04602	2.2
165.01999	0.8
166.99911	1.3
167.03566	0.8
168.00635	6.6
168.04289	1.1
169.01437	100.0
169.05093	3.1
170.01790	3.6
179.05577	0.9
182.02185	0.7
183.03032	4.7
195.03014	0.8
205.12294	1.2
210.01631	1.4
211.02495	14.6
212.02812	1.1
223.13324	0.9
225.04047	4.8
255.04916	0.7
265.09283	5.5
266.09573	0.7
271.04596	15.2
272.04688	1.0
279.10550	2.0
285.06128	3.6
289.06845	1.4
295.10135	0.7
313.05130	3.4
331.06375	1.3
342.10071	0.5
385.18463	2.6
391.23605	0.6
431.10812	25.2
431.14844	3.7
432.11270	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.1
58.00592	0.5
59.01384	7.3
67.01909	0.7
69.03463	1.1
69.63475	1.1
69.63881	2.8
71.01388	11.3
71.01757	0.7
71.05053	1.2
73.02982	1.9
79.01908	0.7
81.03465	1.0
83.01409	1.7
85.02957	3.9
87.00903	1.0
89.02437	2.8
94.78777	0.5
95.01417	1.6
97.02963	1.0
98.19894	1.0
99.00883	0.9
101.02451	7.4
107.01389	10.2
109.19901	0.5
111.00906	1.2
113.02448	4.4
117.05578	6.6
119.03492	0.6
121.02998	0.5
123.00896	8.6
124.01704	1.7
125.02457	62.0
126.02814	1.4
136.98853	0.9
138.02008	1.0
139.00374	2.9
139.04065	1.2
140.01190	2.7
141.01929	1.2
143.03540	0.8
151.00398	6.1
153.02000	0.6
161.04506	2.5
167.03442	0.6
168.00633	4.0
169.01440	100.0
170.01782	5.9
211.02495	8.9
241.03572	6.1
253.03539	1.1
269.10342	3.5
271.04596	22.3
272.05008	1.5
298.98337	0.6
313.05664	86.0
314.05997	6.8
331.06625	0.7
343.08112	0.8
370.57425	0.5
371.09824	4.5
431.11758	36.3
432.12119	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	431.099
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.07751	0.3
55.01886	0.5
57.03452	0.9
59.01387	100.0
60.01726	1.4
61.98835	3.4
69.86893	1.1
69.87296	0.6
70.47154	0.3
71.01390	9.5
72.01719	0.4
72.99322	0.4
73.02959	2.9
75.00825	0.3
83.01401	1.7
85.02959	3.7
87.00890	0.6
89.02460	2.8
93.03468	1.1
95.01409	1.1
98.20607	0.5
99.00908	1.3
99.04558	0.5
101.02460	8.8
107.01436	1.0
113.02465	4.6
117.03477	0.6
119.03513	1.2
123.00906	0.3
125.02483	0.8
132.02228	0.5
135.00917	0.9
143.03487	0.5
143.04993	0.4
145.02963	1.4
151.00409	0.5
159.03058	0.7
159.04442	0.5
161.04584	6.3
163.00400	1.1
165.01932	0.4
165.12868	0.6
169.01471	0.7
171.04559	0.8
179.05766	0.4
183.04550	0.8
185.02536	0.4
185.06097	1.3
187.03975	1.3
197.06036	0.5
199.03996	0.4
207.13971	2.1
209.11893	1.6
209.15486	0.8
211.04033	1.6
213.05669	0.7
223.13153	0.4
227.03519	26.3
228.03865	2.0
229.05075	6.0
230.05414	0.6
233.11839	0.7
239.03569	1.8
240.04240	0.6
241.05038	0.6
243.02924	0.4
246.98930	0.5
251.12952	0.7
255.03004	39.5
256.03500	5.4
257.04584	3.3
268.03851	1.6
269.04379	0.8
269.13980	12.5
270.14343	1.7
284.00797	0.5
284.03287	34.6
285.04056	57.9
286.04419	5.5
293.14041	0.9
311.15036	0.8
371.16959	2.1
371.20853	12.1
372.21344	1.7
400.19690	0.3
431.09943	31.9
431.19418	1.7
432.10208	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	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
60.99036	1.1
60.99316	14.0
71.01398	0.9
76.38968	0.7
82.55669	0.7
87.00884	0.8
88.98817	100.0
89.02444	4.9
89.99173	1.6
92.28400	0.7
96.96004	1.5
98.19826	1.5
108.02163	2.2
109.03000	1.1
125.02452	1.0
127.22436	0.9
132.92033	0.8
152.01180	3.2
169.01428	0.8
341.11017	1.0
397.60767	0.9
431.12201	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	430.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59597	0.6
55.01875	0.8
57.03460	0.6
59.01381	4.8
61.98850	0.9
67.01867	0.7
69.03475	0.7
71.01392	6.2
71.59918	0.9
72.99310	0.9
73.02950	1.3
75.23856	0.7
79.01894	1.4
83.01362	1.1
85.02956	2.1
88.98807	0.9
89.02460	0.7
95.01385	1.7
98.02493	13.7
101.02443	2.8
107.01397	9.6
111.00880	1.6
113.02461	1.4
115.13428	0.6
116.03561	7.7
123.00896	13.7
124.01753	0.9
125.02464	45.1
126.02818	2.0
127.00365	0.8
136.98801	1.1
139.00401	3.7
139.04030	1.0
140.01181	3.5
141.01913	1.7
151.00381	8.7
152.01144	0.9
159.33786	0.6
161.04601	0.9
163.04054	0.6
164.07124	1.1
168.00681	6.7
169.01443	62.1
170.01808	3.7
174.01913	0.6
192.19882	0.6
198.66420	0.6
211.02483	24.6
212.02853	1.8
241.03578	1.5
253.03635	0.9
265.18887	0.7
271.04599	45.0
272.04950	4.2
292.66705	0.8
313.05725	8.7
314.06009	0.8
314.21323	0.8
330.48163	0.7
331.06729	5.0
349.99124	0.9
412.08875	24.3
413.09021	2.0
430.09915	100.0
431.10333	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	430.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67535	1.0
59.01384	19.1
60.01710	1.0
61.98834	100.0
64.27262	1.0
64.75262	0.8
71.01388	5.0
71.60952	0.9
72.72385	0.8
73.02942	1.0
73.22875	0.9
75.09972	0.9
76.00996	0.8
85.02946	1.8
85.33453	1.0
89.02439	2.6
97.02930	0.9
99.04506	0.9
101.02451	2.1
105.25923	1.0
109.03008	1.0
113.02448	2.1
120.65694	1.0
125.02485	4.9
127.04012	1.4
134.86360	0.8
137.02489	0.9
138.16936	0.9
139.03928	1.3
141.02026	1.0
161.02467	2.8
161.04588	1.7
165.01956	1.6
167.03546	1.0
169.01343	1.5
178.95937	0.9
206.12657	1.3
224.13969	0.9
241.01413	1.0
241.05086	23.6
268.12686	2.1
269.04562	34.6
269.13028	0.9
269.17639	1.2
270.05374	4.3
279.84247	0.9
298.04828	25.5
299.05615	18.8
340.60373	1.0
430.08646	4.3
431.09885	28.8
431.20468	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
58.00591	0.4
59.01382	65.4
61.98809	1.9
62.05362	0.5
62.60609	0.5
71.01054	0.5
71.01391	6.5
72.99301	0.7
73.02933	1.8
83.01392	1.1
85.02963	2.9
87.00891	0.7
88.98852	0.8
89.02451	6.7
93.03478	0.6
95.01346	0.5
96.95994	1.5
99.00890	0.5
101.02435	5.7
103.03991	0.6
109.02950	0.5
113.02457	2.9
119.03514	2.5
121.02932	1.5
123.00853	0.6
123.04516	1.2
125.02425	1.0
130.54669	0.5
135.04520	0.9
137.02382	0.6
139.03986	0.8
143.03450	1.1
149.02403	1.3
151.00339	0.5
153.09178	1.2
161.02405	1.1
161.04544	2.6
163.00401	0.6
165.01932	2.1
167.03543	1.3
169.01474	0.7
177.01901	1.2
177.05521	0.5
179.05603	2.3
193.01404	0.6
197.06036	1.6
205.01195	0.5
225.05530	1.9
227.03549	3.0
241.05061	72.7
242.05388	7.4
243.06599	1.8
246.98717	0.8
253.04918	1.0
255.03065	3.4
269.04550	87.9
270.02002	0.5
270.05090	14.8
271.05795	0.8
283.06110	0.6
298.04825	71.5
299.05511	29.7
299.09116	0.9
300.05801	2.5
341.06836	0.8
371.20850	1.9
431.09854	100.0
432.10110	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	429.265
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
51.67389	0.9
55.01888	1.7
57.03443	1.6
59.01378	3.1
61.98824	2.7
69.44769	8.2
71.05021	6.3
72.59057	1.1
79.01894	3.3
81.03471	2.7
83.01382	1.6
83.05028	3.4
84.33475	0.9
85.02955	5.7
87.04498	1.5
90.39509	0.9
95.01390	1.2
95.04987	1.5
98.19824	1.1
99.04533	6.0
99.08165	4.7
107.04993	1.8
109.02959	6.8
111.04524	2.7
112.25374	0.9
123.04510	4.4
123.08166	14.7
125.02461	1.4
125.06068	2.1
127.04016	10.6
135.04527	1.8
137.02486	1.2
149.06078	3.1
150.03217	1.3
151.03986	5.5
152.04773	3.6
153.05528	2.8
163.07634	1.2
164.04785	1.3
164.88818	1.0
167.03477	2.8
167.05807	1.5
167.07132	12.9
177.01949	2.9
178.02681	1.5
178.06314	1.0
193.04997	2.3
205.04999	1.5
301.21765	2.3
303.23279	3.2
310.25000	1.1
315.15259	0.9
315.26865	2.5
367.26413	1.4
369.24316	6.9
370.24966	2.1
373.23846	4.9
383.25977	4.8
384.26288	1.2
385.31183	44.6
386.31613	6.7
387.25171	3.2
411.25409	22.8
412.25616	4.2
414.23953	1.3
429.25958	70.2
429.30136	100.0
430.26309	13.5
430.30457	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	429.3013
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
57.03434	0.7
60.18512	0.5
60.96198	0.5
69.66553	2.9
75.46976	0.4
79.01915	2.1
87.04528	1.6
92.00879	0.4
95.05007	0.7
96.90379	0.5
99.08174	4.0
107.05040	0.8
111.04488	0.7
121.06622	0.7
123.08171	11.4
125.06129	0.7
135.04521	0.8
149.06094	1.7
152.04750	0.9
163.07689	1.0
167.07164	11.8
168.07481	0.8
176.39565	0.6
179.03351	0.5
189.05553	1.3
193.05067	2.1
207.06602	0.5
235.31306	0.6
303.23331	1.5
315.26938	1.7
321.67435	0.6
376.57825	0.5
385.31161	34.2
386.31479	4.9
429.30136	100.0
430.30466	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2646
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
53.73892	0.6
57.03462	0.5
59.01365	1.6
67.01895	0.7
70.92284	1.3
71.05018	4.5
81.03432	0.8
83.05036	1.6
85.02967	2.8
97.06562	0.9
99.04520	3.8
107.05014	2.2
109.02987	5.0
111.04517	1.6
123.04567	2.7
125.02440	0.8
125.06097	1.2
127.04010	7.4
135.04500	0.7
137.02510	1.0
149.02438	0.7
151.03993	4.1
152.04771	1.6
153.05519	2.1
164.04770	1.8
167.03499	1.6
169.05116	1.0
173.40718	0.6
177.01884	1.5
178.02634	1.3
268.47778	0.6
277.21646	1.1
297.19357	0.6
301.21698	1.6
327.23019	0.7
367.26242	1.6
369.24374	5.7
370.24948	1.5
371.21777	0.6
373.23843	6.7
374.24094	1.3
383.25891	5.4
384.26340	1.1
385.27621	2.9
387.25427	1.2
411.25378	26.0
412.26022	3.6
414.24292	1.7
429.26434	100.0
430.26779	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	429.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03467	3.2
59.01384	2.9
67.01897	0.6
69.03467	0.9
71.05030	7.1
73.02944	1.0
81.03460	2.8
83.01405	1.5
83.05042	6.5
85.02960	4.7
93.06598	0.6
95.01434	0.7
96.02139	0.6
97.02959	1.9
97.06588	1.5
98.20637	1.5
99.04530	16.1
100.04855	0.9
107.05056	1.2
108.02197	1.2
109.02972	7.5
109.06702	0.5
110.03767	0.9
110.23317	0.6
111.04523	2.3
113.02428	1.9
114.93584	0.6
123.04547	2.8
125.02436	1.8
125.06054	1.8
127.04022	26.3
128.04367	0.8
134.42059	0.6
135.04497	0.6
136.05301	0.7
137.02443	2.7
137.06140	0.5
139.04008	2.2
142.02626	0.7
150.03224	0.8
151.04034	5.4
152.04800	4.2
153.02010	1.0
153.05528	1.4
164.04828	1.0
165.05615	1.1
167.03532	7.2
169.05080	3.1
178.06436	0.9
179.07130	0.7
259.20642	0.6
277.21875	1.0
301.21606	4.8
302.22394	0.9
329.24869	1.1
341.25098	0.7
343.26361	1.7
345.24207	0.7
367.26434	1.2
369.24365	8.6
370.24887	4.4
371.22217	1.4
373.23984	4.5
383.25977	2.5
385.23615	0.6
385.27692	4.9
387.25308	4.8
388.25735	0.8
411.25516	4.7
412.26010	0.7
429.26492	100.0
430.26831	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	429.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44338	0.6
57.03446	1.8
59.01376	2.8
65.03958	0.7
69.03490	0.7
69.94656	3.2
71.05030	6.5
73.02996	0.8
80.33281	0.6
81.03445	2.1
83.01398	1.8
83.05025	6.4
85.02969	5.5
95.01387	1.3
95.05033	0.9
96.02172	0.8
97.02968	1.7
97.06612	2.1
99.04527	16.3
100.37593	0.7
107.05044	1.5
108.02194	1.2
109.02944	6.1
110.03744	0.9
111.04533	2.6
113.02480	2.4
122.03754	0.7
123.04548	3.1
125.02409	0.8
125.06112	2.2
127.04019	25.3
128.04420	1.1
137.02478	3.5
137.06143	0.7
139.04007	0.9
151.03979	5.1
152.04834	3.3
153.05598	1.2
164.04802	1.5
165.05615	1.5
167.03476	5.4
169.05087	2.8
177.01994	1.2
179.07039	0.6
191.03600	1.0
257.65356	0.7
259.20819	1.0
270.78497	0.7
277.21692	1.3
301.21732	5.2
327.23016	0.8
329.24713	1.0
343.26465	1.8
367.26459	0.8
369.24396	10.3
370.25015	3.7
371.22098	1.5
373.23737	4.8
383.25931	2.3
385.27594	4.9
386.28030	1.0
387.25391	5.2
411.25357	3.5
429.26468	100.0
430.26776	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	429.2647
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
57.03440	0.8
57.36105	0.5
57.71922	0.5
69.69435	3.1
69.69841	0.7
79.01908	2.0
85.06599	3.5
89.55392	0.5
95.05077	0.5
97.02947	1.7
102.41061	0.5
109.06580	3.8
111.04516	4.5
115.92075	0.6
117.75578	0.5
135.04532	1.3
149.06076	0.6
151.04019	1.2
152.04768	0.9
153.05589	29.8
154.05904	0.8
179.03522	4.0
180.04295	6.8
181.04570	0.6
193.05066	1.2
194.05841	4.7
207.06683	3.6
208.07132	0.8
216.08047	0.6
221.08128	0.7
222.57718	0.6
235.09795	1.3
247.17307	0.5
249.11395	1.3
250.11661	0.6
263.12842	1.0
264.13513	1.2
271.38843	0.7
277.14407	1.7
291.16141	1.0
305.13959	2.1
315.23346	1.2
317.17560	3.0
318.18118	0.9
319.15332	3.6
320.16034	0.7
357.20801	1.0
358.21310	0.8
359.22562	1.3
411.25647	0.9
429.26474	100.0
430.26828	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03439	0.9
59.01381	100.0
59.84991	0.5
60.01715	1.1
61.98851	0.7
69.39754	1.9
69.40184	1.6
71.01385	6.9
71.05030	3.2
73.02967	0.5
79.95757	0.5
82.21238	0.5
83.01405	0.5
85.02980	1.5
89.02451	10.5
89.61378	0.4
90.02764	0.5
93.03463	0.6
95.05030	2.2
96.96046	1.7
97.02956	7.4
99.00875	0.4
101.02448	3.0
109.02973	0.8
111.04452	0.4
113.02473	2.7
117.05579	2.2
118.98091	0.6
119.03525	4.0
123.00867	0.8
125.02469	1.5
131.03476	0.6
135.04518	0.7
137.02483	1.4
139.04016	34.0
140.04398	1.8
143.03500	1.0
149.04596	0.5
153.01973	0.5
153.05585	0.5
161.04512	0.9
165.01971	3.1
167.03561	1.8
167.07111	0.6
169.01486	0.6
175.97839	0.5
179.05632	1.4
181.05151	0.6
181.08701	0.9
183.03069	1.6
243.90688	0.4
249.86992	0.4
293.68860	0.5
429.13742	9.0
430.14471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.03455	3.0
59.01384	0.7
69.45515	2.9
71.05028	6.5
75.20707	0.5
79.01907	1.5
81.03464	1.1
83.01402	0.7
83.05051	0.8
93.03519	0.4
95.01418	0.8
95.05036	5.6
97.02969	3.5
97.06562	0.4
107.05071	0.4
109.02966	3.1
111.00956	0.5
112.55613	0.4
121.02999	1.6
121.06630	0.6
123.04530	0.9
123.51053	0.4
124.01684	2.0
124.05312	11.6
125.02457	1.9
135.08237	0.6
137.02457	3.0
138.03247	7.1
139.04027	52.2
140.04393	1.9
149.06165	0.5
151.04047	0.7
155.31602	0.4
163.07669	0.4
165.01938	8.8
166.02728	28.2
167.03149	1.1
170.02219	0.7
171.08160	0.7
179.03503	2.4
180.04294	13.0
181.04752	1.1
191.10716	0.8
193.03297	0.9
193.05067	17.6
194.05717	2.4
198.01718	4.0
205.12357	1.8
205.15988	0.5
207.06654	4.1
212.03284	0.9
221.08237	1.4
222.08957	0.7
226.04973	0.4
233.08224	1.2
235.09749	3.7
236.10571	0.4
249.11330	7.0
250.12154	2.8
261.18610	1.4
263.12958	1.4
289.14578	0.8
289.67068	0.5
303.16025	1.1
304.16815	4.3
305.17474	1.9
336.15601	0.6
342.14825	0.4
353.17459	0.5
411.21689	1.2
429.22845	100.0
430.23193	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	429.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.6
58.03823	0.2
59.01384	2.7
59.05865	0.2
61.98842	0.7
64.18706	0.2
65.00344	0.4
67.45771	0.2
67.57621	0.2
71.32261	0.3
71.32613	0.2
81.03472	2.2
81.03861	0.2
83.01393	7.9
83.05042	1.8
84.01717	0.2
85.02967	0.4
85.06585	0.4
93.03514	0.2
97.02948	0.2
99.04511	0.5
100.85477	0.2
107.01385	0.5
109.03004	0.3
113.02435	0.3
121.02965	0.5
123.04543	1.7
123.89711	0.2
124.01692	0.6
124.05324	1.4
125.02456	100.0
126.02792	3.8
127.04069	0.8
137.09708	0.3
149.02455	1.0
151.00374	0.5
153.05646	1.0
163.07677	0.3
167.03517	2.0
178.26430	0.2
179.10756	0.4
198.50575	0.2
203.03539	0.3
217.15924	0.2
219.10176	0.4
245.11765	0.4
267.28577	0.2
302.75137	0.2
303.16061	1.0
353.13892	0.3
365.28333	0.7
367.30069	9.5
368.30386	1.5
385.19897	0.3
385.30951	0.6
411.17914	0.6
429.18988	8.8
429.30518	2.7
430.18970	1.4
430.30295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01390	0.5
62.47484	0.2
68.99836	0.4
69.92439	0.5
69.92830	0.5
71.05019	0.3
81.03479	0.3
93.34903	0.2
95.05040	0.9
97.06574	0.3
99.04568	0.6
99.30161	0.2
99.92589	5.1
100.92718	0.3
100.93371	5.0
101.93394	0.4
109.02922	0.3
111.04541	0.3
115.92088	100.0
116.92094	6.6
116.92876	6.4
123.04530	2.5
127.04056	0.8
130.05994	0.2
132.92403	1.1
135.04599	0.2
142.94441	0.3
151.04025	0.2
155.43932	0.3
155.95276	0.3
172.95493	5.4
173.95593	0.6
178.41711	0.2
217.60718	0.2
219.93596	0.2
240.37566	0.3
255.23283	0.9
300.57465	0.3
301.21677	0.3
315.27133	0.4
343.26370	0.4
355.15991	0.8
357.20673	0.4
357.28513	0.3
369.24219	0.4
373.23666	0.3
381.17648	0.7
383.18646	0.4
385.20251	2.9
385.27475	6.0
386.20676	0.7
386.27786	0.9
387.25555	0.3
411.18585	0.3
411.25262	0.6
429.19638	3.9
429.26511	8.2
430.19843	0.9
430.26874	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
58.21330	1.2
59.01383	100.0
66.71159	1.6
66.91766	1.2
69.40820	5.3
69.41255	5.2
71.01385	11.8
72.66119	1.3
72.99322	1.4
73.02944	2.4
83.01394	2.5
83.05035	2.1
85.02947	3.2
87.00888	6.4
88.56985	1.1
89.02446	11.7
90.84075	1.1
93.49080	1.4
97.06606	1.6
101.02441	9.5
107.05038	2.6
111.04549	1.3
113.02491	6.3
119.03514	4.4
120.05847	1.6
121.63957	1.3
135.04538	3.1
137.09756	1.7
161.09760	9.1
161.13376	5.1
167.03537	2.4
179.05658	2.7
185.13431	2.3
187.11296	18.4
189.09222	5.2
203.10780	3.8
205.12325	6.2
207.10265	1.4
223.13411	50.0
224.13803	4.1
229.12329	4.5
231.10051	1.3
249.11348	3.9
264.68594	1.6
267.12390	37.3
268.12772	3.1
269.00934	3.9
291.12357	4.4
309.13495	5.7
321.13101	1.4
330.66113	1.6
339.14520	5.2
369.15530	30.6
370.15771	5.9
404.70514	1.4
429.17706	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	429.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
57.03456	10.4
57.51465	1.0
59.01381	5.1
67.01910	1.1
69.03460	2.4
69.29358	8.1
71.05025	12.1
73.25380	0.9
79.01923	2.7
81.03461	4.5
83.01412	2.5
83.05045	2.0
87.00912	1.1
95.01394	6.6
95.05032	12.0
96.62833	0.9
97.02937	5.9
97.06597	3.3
99.82855	0.9
109.02964	3.1
111.00919	1.8
113.02460	1.3
119.08701	1.0
121.02994	2.2
121.06625	3.1
123.00925	1.4
123.04542	3.4
123.08160	1.8
124.01678	31.5
125.02467	26.5
126.02842	0.9
127.04033	1.0
133.06627	1.2
135.04526	1.2
135.08171	2.3
137.02451	2.1
137.09702	1.2
138.03279	1.1
139.04027	74.0
140.04362	3.4
149.06129	1.1
150.07135	1.0
151.04065	2.1
152.01370	1.2
152.04819	1.2
153.05522	2.0
159.08154	1.3
161.06024	1.4
161.09723	1.2
163.04085	1.7
163.07715	1.7
165.01984	4.1
165.05632	1.8
165.12744	1.0
166.02773	2.8
167.03548	1.1
171.08162	3.7
173.06114	1.9
175.03963	1.5
175.07663	1.7
176.43539	0.9
177.05690	1.2
177.09264	1.0
179.03554	1.6
180.04271	1.4
187.07616	1.2
189.05707	1.2
189.09227	2.2
191.07137	1.5
193.05087	3.2
201.09274	1.1
203.07155	1.0
205.05194	1.2
205.08627	1.5
215.07195	1.7
217.08717	1.2
229.08777	1.1
233.08194	17.5
234.08597	1.3
245.08104	0.9
247.09816	0.9
248.10651	1.3
249.11349	1.5
259.13516	1.6
261.11353	1.3
289.11292	1.0
289.14615	1.2
297.19003	1.1
301.21744	1.1
303.12524	3.0
306.07629	1.2
325.17996	1.9
327.19815	1.0
329.14069	1.6
341.17325	1.1
343.22855	1.2
368.19766	1.0
369.17004	2.1
385.20261	2.5
411.22055	2.6
412.18869	1.8
429.22971	100.0
430.23361	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18487	1.3
57.03453	8.0
59.01386	100.0
63.71086	1.4
69.03456	2.2
71.01387	19.2
71.05032	2.8
72.99310	1.4
73.02958	5.6
83.01389	5.1
85.02970	6.7
85.03790	1.3
85.06590	6.3
87.00881	7.4
89.02459	17.0
95.01416	1.9
96.96065	1.4
97.02980	2.4
97.06583	4.8
98.20608	4.1
99.04568	1.6
101.02457	12.9
103.03998	1.9
107.05032	14.3
109.06578	1.8
111.04516	4.9
113.02457	10.8
117.05569	3.1
119.03526	4.3
120.05820	3.1
123.04510	4.1
125.02511	3.2
131.03470	2.4
132.11810	1.2
135.04506	7.9
140.04173	1.7
141.05566	1.5
152.04674	1.4
153.05583	74.6
154.05891	5.2
158.24669	1.5
160.04066	1.7
161.04550	2.7
161.09721	13.6
161.13373	5.2
163.11330	3.0
167.03503	4.7
169.01398	1.7
177.05530	2.4
179.05591	2.1
179.10786	2.3
187.11293	18.2
188.11539	1.8
189.09192	6.1
203.10773	3.6
205.12317	6.2
207.10260	5.6
223.13402	80.9
224.13705	6.1
236.11549	1.4
249.11310	7.6
267.08902	9.2
267.12375	72.0
268.12759	5.5
277.07007	1.8
311.07446	1.9
314.49231	1.5
350.12463	3.3
355.04489	1.4
369.15350	2.0
429.17767	9.0
430.08398	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87598	0.6
59.01387	9.3
59.81421	0.6
61.98802	1.4
69.31199	1.7
69.31610	4.7
71.01368	2.3
74.18220	0.8
79.95749	2.9
82.32503	0.8
85.02930	1.7
89.02454	1.4
93.03462	1.0
95.01362	0.9
96.96021	100.0
101.02467	1.4
108.02187	12.3
109.02975	15.6
113.02366	0.6
114.63011	0.7
117.03467	1.6
119.05039	35.0
120.05386	1.3
121.02979	0.8
123.00903	1.5
145.02960	15.9
146.03294	1.3
152.01158	8.4
153.01955	31.8
154.02315	1.3
163.04027	38.3
164.04445	2.3
169.95296	0.7
185.11842	12.2
185.13405	0.7
195.03044	1.9
201.11429	0.7
203.12891	8.1
213.01935	0.8
221.08664	2.6
245.01056	1.0
257.00980	0.9
265.07529	58.9
266.07861	3.8
269.01047	1.8
283.08606	37.4
284.09183	2.6
295.02835	1.2
297.00696	0.9
311.02313	1.7
325.03757	3.7
349.16708	1.3
353.02969	6.2
354.03864	0.9
369.07129	0.7
397.05630	9.1
398.06323	1.8
429.12839	72.0
430.13156	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	429.1404
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
55.01863	0.6
57.03452	0.7
59.01384	8.5
61.98832	4.7
67.01876	1.8
69.03469	1.4
69.98820	1.3
69.99242	2.2
71.01387	6.8
72.99303	1.1
73.02950	0.8
75.00862	0.7
77.99344	0.5
79.01889	0.7
79.95721	0.6
83.01374	1.0
85.02947	2.4
87.00855	1.0
89.02448	3.0
93.03456	0.7
95.01395	3.8
96.96019	6.7
97.02983	1.2
98.95573	0.6
101.02444	3.2
107.01424	4.1
109.02958	0.6
111.00933	3.3
113.02422	3.7
117.03468	1.0
117.05602	7.9
120.99649	1.5
122.03720	1.2
123.00893	14.5
123.04526	1.5
124.01687	1.1
125.02457	18.5
126.02795	0.8
127.00389	1.6
127.05860	1.0
133.02971	6.4
135.04535	1.8
136.98807	1.5
139.00371	5.6
140.01147	2.8
141.01944	1.7
141.52055	0.6
145.03009	0.6
151.00389	10.3
151.04060	0.9
153.01967	0.7
158.74820	0.6
161.02452	21.4
161.04449	0.8
162.02798	0.7
163.00432	0.7
163.04085	0.7
165.01950	1.0
165.05611	0.8
168.00648	6.5
169.01436	25.5
170.01788	1.1
179.03532	1.4
193.01422	1.6
199.11670	1.0
208.69495	0.6
211.02496	14.0
211.04355	1.3
217.12675	2.4
259.99683	0.8
271.04578	19.7
272.04813	1.5
313.05875	0.8
331.06653	1.5
349.13306	4.5
366.14905	2.0
377.45078	0.6
385.01788	3.5
423.24509	0.8
423.88123	0.7
429.09204	4.4
429.14023	100.0
430.14368	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85680	1.2
55.01899	1.4
57.03444	2.0
59.01382	20.9
61.98826	2.3
67.01884	2.6
69.03442	1.7
69.94379	5.8
71.01386	21.3
71.05025	7.8
72.48257	1.1
72.99312	2.8
73.02948	5.6
78.85362	1.1
79.01894	2.0
81.03439	1.0
83.01378	3.9
85.02952	10.0
87.00882	1.6
89.02437	9.4
93.03485	1.8
95.01395	6.4
96.96027	5.7
97.02956	6.9
98.95620	1.8
99.00863	3.2
99.04539	1.1
101.02444	11.3
105.62346	1.1
107.01399	10.9
109.02944	5.1
111.00928	6.7
113.02451	9.7
115.03968	2.8
117.05588	45.1
118.05928	1.0
119.03501	5.1
120.99671	1.3
121.45875	1.3
121.68662	1.1
123.00894	29.7
123.04501	5.0
124.01691	2.2
125.02459	52.0
126.02789	2.2
127.00365	2.9
131.03535	1.8
136.98802	4.6
137.02477	6.4
139.00374	9.3
140.01172	6.8
141.01894	3.3
149.02431	6.0
151.00398	15.7
153.01944	10.7
155.37791	1.1
159.06651	1.9
161.02463	2.4
161.04543	2.4
163.03979	1.2
166.99806	3.2
167.03490	1.7
168.00644	15.6
169.01431	67.6
170.01776	3.8
175.97916	1.2
177.05585	1.2
177.49300	1.2
179.03523	2.0
200.08130	1.1
211.02495	45.7
212.02797	2.2
241.03490	2.3
253.03456	1.3
271.04602	75.3
272.04938	5.7
272.94882	1.3
277.09308	8.2
285.84390	1.1
297.06186	1.9
313.05499	5.3
331.06769	6.6
349.13034	2.5
357.02380	1.4
385.11349	10.5
411.09143	2.3
426.69934	1.2
429.09567	100.0
429.14703	23.1
430.10196	14.9
439.06110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46608	0.4
59.01383	6.9
61.98827	2.6
63.72906	0.4
69.91127	1.4
71.01390	4.2
71.04953	0.4
72.99328	0.5
79.01892	0.5
83.01379	0.5
85.02984	0.7
87.00928	0.6
89.02459	2.7
95.01385	1.1
96.96027	1.6
97.02936	0.7
98.20596	0.5
101.02457	1.8
107.01413	4.4
110.00098	0.7
111.00924	2.3
113.02462	1.4
115.04031	2.1
117.05599	1.5
119.03498	0.6
121.02960	0.5
123.00891	6.2
124.01694	2.1
125.02460	26.0
126.02796	1.1
127.00405	1.0
135.04549	0.6
136.98846	1.5
137.02458	1.2
139.00386	3.0
139.03998	0.6
140.01172	4.0
141.01961	0.5
151.00342	4.6
153.01941	0.9
165.01958	0.8
167.03508	1.5
168.00655	11.8
169.01436	39.0
170.01790	2.0
183.02962	0.7
211.02483	51.8
212.02832	3.7
217.12674	0.5
222.40327	0.5
241.03575	1.6
267.88412	0.5
271.04593	100.0
272.04950	6.1
313.05692	1.3
316.21555	0.5
331.06689	11.8
332.07080	1.0
423.66995	0.4
429.10342	32.4
430.10440	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56119	0.9
56.22466	0.8
59.01381	13.9
61.98812	1.9
67.01877	2.3
68.00118	1.0
68.99774	1.1
69.03408	1.4
69.90825	3.9
71.01386	11.1
71.05000	2.2
72.99280	1.0
73.02930	2.2
78.91177	1.0
79.01888	1.3
85.02921	4.4
87.00871	1.7
89.02479	4.5
92.29536	0.9
93.03409	1.6
95.01365	4.0
96.95966	3.8
97.02922	2.8
99.00835	1.1
101.02443	5.3
107.01371	7.1
109.02914	3.0
111.00892	4.7
113.02429	3.3
115.03989	1.4
117.05598	16.3
119.03455	1.5
123.00900	15.8
123.04456	2.0
124.01608	2.8
125.02448	37.5
126.02754	1.4
131.03517	1.1
136.98714	3.2
137.02356	3.6
139.00368	6.8
140.01129	5.4
141.01884	1.7
145.02928	1.6
149.02370	3.7
151.00378	7.3
153.01880	4.3
165.01897	1.4
166.99776	1.1
167.03378	1.4
167.99426	1.1
168.00641	15.1
169.01422	52.4
170.01659	3.0
199.11618	1.3
211.02486	62.6
212.02664	3.6
241.03439	1.5
271.04590	100.0
272.04929	6.8
277.09003	3.2
313.05469	3.1
331.06644	10.6
332.06833	1.2
349.13055	2.2
385.11456	6.0
429.09930	56.9
430.10352	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	427.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03439	0.8
59.16797	0.4
62.92132	0.4
64.07912	0.5
70.07498	0.4
70.71556	0.4
73.16248	0.4
75.20490	0.4
79.01905	1.8
81.03446	0.5
85.06606	0.7
87.04509	1.8
99.08163	4.9
105.07111	0.5
107.05041	1.1
111.04479	0.7
121.06603	1.6
123.08171	10.3
124.08528	0.5
135.04515	0.8
149.06111	1.6
152.04787	1.3
163.07674	1.2
167.07140	11.7
168.07391	0.6
193.05069	2.0
207.06703	0.6
301.21692	0.6
313.25391	0.6
325.93845	0.4
351.81976	0.5
383.29578	28.0
384.29984	4.8
409.27475	0.8
427.28531	100.0
428.28842	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	429.0828
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
57.03450	0.6
58.33965	0.4
59.01381	15.3
68.77340	0.4
69.28079	1.1
69.28493	2.9
71.01376	2.0
72.74210	0.4
85.02961	0.8
89.02459	1.7
96.96037	0.7
97.45152	0.5
101.02432	2.3
103.30785	0.4
113.02442	0.4
119.03496	0.9
121.02891	0.4
123.00896	1.0
125.02459	0.8
131.07384	0.5
137.02441	0.5
168.00632	0.5
169.01456	1.2
183.02960	0.8
185.02415	0.5
187.11194	0.4
207.13968	0.7
211.04033	0.8
213.02055	0.5
214.02686	0.5
216.00516	0.4
217.01422	0.6
223.03949	0.6
223.13554	0.5
225.05441	1.1
226.02664	0.5
227.03510	1.4
229.01355	0.7
230.99376	1.8
232.00012	0.7
239.03516	1.3
240.04190	0.7
241.01457	0.6
241.05070	1.0
243.02924	0.5
244.00191	0.7
245.00943	0.8
251.03674	0.6
252.04120	0.6
253.01430	0.9
253.05054	1.3
254.02156	1.0
254.05722	0.8
255.02937	1.2
255.06659	0.6
256.00076	0.7
256.03580	0.5
257.00800	0.7
266.02234	0.5
267.02957	1.3
267.99905	0.5
268.03983	0.8
269.00928	5.8
269.04517	1.2
269.08188	0.5
270.01382	0.8
270.99045	0.5
271.02151	0.5
273.00363	0.5
281.01077	0.9
281.04587	1.2
281.08231	0.7
282.01840	1.0
282.05173	0.7
283.02515	1.9
283.05957	1.1
283.99756	1.9
285.00412	1.5
295.02637	2.0
295.99646	0.5
296.03174	1.0
297.00372	2.8
297.04028	3.1
297.07562	1.0
298.01242	3.9
299.01932	1.2
299.05637	0.8
299.99182	0.8
300.99976	0.9
303.01434	0.7
309.00443	0.6
309.03952	0.8
310.01257	0.7
310.04449	0.8
311.02060	6.7
311.05414	0.6
312.02634	2.8
313.03436	0.7
313.07150	0.7
323.02029	0.9
323.05795	0.5
323.99164	5.7
324.02695	0.6
324.99768	2.7
325.03546	12.8
325.07187	1.3
326.00708	0.6
326.04044	2.2
326.07458	0.7
327.01453	2.7
327.05093	1.8
330.00055	0.5
335.01874	0.5
338.00784	0.8
341.06723	1.1
342.07007	0.5
351.05347	0.5
353.03009	18.4
353.06683	1.5
354.03311	2.0
369.06122	4.1
397.05646	42.6
398.06027	5.5
429.08270	100.0
429.17715	4.3
430.02737	0.8
430.08606	15.8
451.08325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	1.2
59.01371	5.4
63.21999	0.9
66.51054	0.8
69.68035	5.3
71.01376	3.0
72.00395	7.5
73.01170	10.5
79.95741	2.9
85.02954	1.4
87.00867	5.6
89.00680	1.9
89.02452	2.4
95.01414	1.4
96.96015	100.0
98.95586	1.3
101.02450	1.7
107.01395	2.0
111.00874	1.2
113.02442	1.0
117.05611	1.6
120.34335	1.0
120.99652	5.8
123.00887	3.6
123.04601	1.2
124.01609	1.5
125.02432	6.9
127.05883	67.5
128.06250	2.6
135.04524	1.7
136.99052	1.2
137.02446	1.6
140.01166	1.1
141.80833	0.9
151.00410	2.4
168.00636	2.8
169.01392	9.9
169.28940	0.9
179.01747	3.1
199.11635	11.6
209.11894	1.3
211.02467	11.6
217.12677	31.5
218.13002	2.1
223.13394	2.0
227.12991	1.3
242.67273	1.0
257.70172	1.0
261.11685	6.4
265.17603	1.0
271.04572	18.1
296.29047	1.0
331.06570	2.6
331.12231	1.0
349.13275	61.7
350.13565	7.4
352.23068	1.2
354.49310	1.0
427.54114	1.0
429.08905	69.2
429.14041	12.9
430.09256	8.9
430.14349	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2491
Annotation	Graviphane
Peak:m/z	Relative Intensity
57.03456	0.7
68.99797	2.3
71.05009	1.1
71.59891	0.8
74.06543	0.6
77.03935	0.7
79.01900	4.1
81.03430	2.0
82.80253	0.6
94.31188	0.5
95.05010	1.1
97.02914	1.8
103.01730	0.6
105.03411	0.6
109.02927	0.7
121.02914	1.3
123.04485	2.4
123.08101	1.8
138.03154	0.8
139.03954	1.7
152.08995	0.6
152.87350	0.6
156.26465	0.6
165.01926	3.2
166.02606	2.2
167.03529	6.4
167.07005	1.4
176.04694	0.9
179.03384	0.8
190.99768	2.4
193.01387	6.2
194.01999	0.8
204.04210	1.7
206.02121	1.5
207.02829	0.7
217.04948	0.8
221.04424	0.7
221.08214	0.6
301.21536	2.4
312.85764	0.6
319.15366	0.7
349.24350	0.6
355.26135	0.9
381.24136	2.6
383.25452	2.2
383.29376	4.9
384.30151	0.9
385.23785	1.3
399.25098	0.9
409.23572	1.9
425.23334	11.2
426.23468	1.7
427.24551	100.0
428.25003	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18143	0.9
53.88309	0.9
55.01887	1.1
56.33201	0.9
57.04045	0.9
70.21542	1.8
70.21930	2.0
79.01917	2.3
87.04521	1.1
99.08169	4.4
121.06584	1.2
123.08176	10.3
149.06056	2.2
152.46379	0.9
167.07147	12.9
193.04965	2.1
195.00351	0.9
286.32974	1.0
383.29578	31.7
384.29849	6.8
405.91510	0.8
427.28546	100.0
428.28912	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74106	0.2
57.03452	9.5
64.95863	0.2
65.00335	0.5
75.40902	0.3
81.03448	2.4
83.01392	12.3
84.01739	0.3
93.03442	0.3
98.19846	0.5
101.69994	0.3
105.03466	0.4
106.27166	0.3
107.01410	0.6
121.02970	0.6
123.04538	1.8
125.02450	100.0
126.02799	3.6
149.02419	1.4
151.00371	0.7
167.03522	2.2
187.34550	0.3
259.20776	0.3
301.21738	3.2
302.21979	0.3
427.24930	6.4
427.30603	0.6
428.25095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27441	0.6
59.01381	1.7
60.91840	0.6
69.56134	2.8
69.56554	1.6
71.01386	0.6
71.05021	5.3
81.03471	0.6
83.05035	1.9
85.02962	2.9
95.05053	0.8
97.02929	0.9
97.06627	1.2
98.20641	0.6
99.04540	4.0
107.05031	1.9
109.02980	5.2
109.06595	0.9
111.04524	1.8
122.03767	1.0
123.04512	3.8
125.02454	1.6
125.06104	2.1
127.04028	5.1
135.00870	0.7
135.04587	0.8
136.05342	0.8
137.02455	1.4
149.02432	1.1
151.04047	3.7
152.04779	2.2
153.01926	1.5
153.05557	1.6
154.02740	0.6
163.03989	1.2
164.04848	3.3
167.03522	2.8
173.06163	0.7
177.02005	1.4
177.05629	2.0
178.02734	4.9
178.06285	1.2
178.10390	0.6
181.05087	0.7
182.02226	1.1
185.23032	0.6
204.00050	0.5
205.05128	2.9
245.89180	0.6
261.11395	0.9
268.15305	0.7
273.22327	0.6
299.20407	1.0
365.24860	0.8
367.22968	3.4
368.23489	1.1
371.22238	5.0
372.22458	0.9
379.19067	0.7
381.24576	3.0
382.24515	0.8
383.26126	4.6
385.23880	4.0
409.23828	16.1
410.24365	2.8
412.22556	1.3
427.24915	100.0
428.25281	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	427.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
69.71850	3.6
71.05028	5.4
74.69489	0.5
76.97636	0.7
81.03449	0.6
83.05050	1.2
85.02959	2.1
97.02972	1.2
99.04522	3.9
104.36833	0.6
107.05019	1.8
108.02161	0.6
109.02964	4.7
109.06573	0.8
111.04498	1.2
113.02426	0.9
120.17334	0.5
121.61279	0.5
122.03745	1.3
123.04522	2.8
125.02446	1.6
125.06085	1.7
127.04011	6.7
135.04492	0.8
137.02449	1.0
149.02484	1.4
150.03128	0.6
151.04022	3.6
152.04768	2.7
153.01907	2.4
153.05597	2.2
163.04080	0.9
164.04793	4.3
167.03535	2.1
169.05016	0.7
177.01923	1.1
177.05574	1.6
178.02725	7.3
178.06175	0.8
182.02267	1.1
191.03494	1.0
191.07104	1.3
192.04340	1.3
196.03804	1.0
205.05061	2.9
205.08669	0.8
206.09515	1.4
219.06694	0.9
233.11844	0.8
237.11256	0.9
247.09787	1.6
261.11258	1.3
262.12146	1.2
299.20197	1.1
301.63550	0.5
365.24924	0.9
367.22827	4.3
368.23154	1.5
371.22214	4.6
372.22382	0.9
381.24423	5.2
383.26044	1.6
385.23849	2.3
409.23856	17.7
410.24152	3.3
412.22705	2.5
427.24911	100.0
428.25259	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	427.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11846	1.5
54.65521	1.5
57.03446	7.6
59.01386	35.7
60.34987	1.4
69.03436	2.3
69.55793	5.6
69.56223	5.6
71.01397	1.5
71.05013	5.0
72.97907	1.4
73.02946	3.7
78.91895	10.3
79.01874	3.3
81.03463	22.0
83.01400	1.5
85.02959	42.3
87.00890	6.9
95.01367	2.1
95.05047	8.7
97.02956	4.4
97.06578	3.8
98.20581	2.6
99.04539	4.7
107.05038	3.1
108.02229	1.7
109.02978	2.4
111.00848	2.5
111.04503	3.1
122.03778	1.7
123.04534	65.0
124.04859	2.3
125.02457	100.0
125.06105	2.6
126.02767	4.3
129.77658	1.5
133.06578	2.4
135.04515	1.7
137.06094	11.5
138.03210	2.2
139.04012	13.0
139.11310	1.9
141.05609	5.4
141.12860	17.1
147.08110	2.2
149.06068	3.4
150.66977	1.3
151.00359	1.6
151.03984	1.9
151.07658	4.9
155.14410	2.2
165.01817	2.5
167.03453	4.2
167.07144	4.7
171.13875	2.3
175.07643	12.4
181.08730	2.7
183.13853	3.1
185.15474	23.1
186.15878	1.7
193.08746	4.1
195.17526	2.8
197.15482	2.1
223.06253	1.6
245.74687	1.7
309.20596	1.9
323.22150	5.5
339.21915	3.2
347.18375	2.1
347.22278	3.8
365.23373	16.7
367.21246	48.2
368.21643	9.0
381.22772	9.2
383.24738	1.7
409.22421	14.6
410.23074	8.1
427.21127	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	427.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
59.01363	0.2
65.81602	0.1
65.88741	0.1
67.31567	0.1
69.97389	0.5
74.03882	0.1
79.01898	0.6
83.05014	0.2
85.06593	17.2
86.06949	0.4
91.05532	0.2
94.23869	0.1
97.02953	3.6
109.06611	1.3
111.04526	5.2
111.05302	0.3
135.04532	0.9
138.03233	0.4
149.06085	0.6
151.04018	0.2
151.07677	0.3
153.05582	100.0
154.05920	5.0
164.25571	0.1
177.05574	1.0
179.03496	0.5
195.06625	0.9
203.14127	0.1
231.17546	0.3
273.18634	2.9
274.19156	0.3
336.82330	0.1
383.26093	0.2
409.23566	0.2
427.24924	5.7
428.25378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82008	1.1
58.00595	1.0
59.01385	100.0
60.01706	1.4
61.98834	1.5
71.01388	27.4
85.02972	4.5
87.00897	1.6
89.02452	45.5
95.01421	2.1
96.96024	2.8
101.02467	11.7
113.02456	9.4
114.71271	0.9
119.03513	17.1
125.02457	2.2
131.03484	2.3
143.03513	3.8
147.04517	2.9
149.04553	1.7
160.01668	3.8
161.04579	4.2
175.03987	4.8
179.05641	10.6
187.11288	23.1
188.11635	1.2
193.05130	1.3
193.53008	1.1
280.30087	1.3
301.00018	1.7
406.91736	1.1
427.16193	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30881	0.9
58.00591	2.0
59.01385	100.0
69.27290	8.2
69.27695	1.9
71.01388	27.3
72.99297	1.6
73.02923	1.0
80.29534	1.1
85.02956	4.8
87.00882	2.5
89.01916	2.3
89.02453	40.0
95.01348	1.4
96.96003	1.7
98.95554	1.9
99.52093	1.0
101.02443	12.1
113.02460	11.2
119.03510	14.8
121.02941	1.5
125.02468	1.7
131.03532	1.2
136.42157	0.9
143.03519	3.1
147.04468	1.4
149.04585	1.7
160.01694	3.9
161.04535	3.6
175.03970	3.7
179.05693	11.7
179.07195	2.1
181.26294	1.1
187.11279	19.1
188.11577	1.3
208.97800	1.2
259.66241	1.0
427.15985	3.0
427.23425	2.0
430.30511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96627	0.5
57.03455	1.3
59.01383	100.0
60.01707	1.2
71.01395	0.8
95.05038	0.7
98.19877	1.8
107.05072	0.6
113.02483	0.8
119.05019	3.9
120.27248	0.6
121.06587	0.6
125.02483	0.9
135.04555	1.0
135.08148	0.6
147.08173	4.5
149.77614	0.6
151.59480	0.6
161.09752	0.7
163.11317	2.6
175.11296	1.1
177.12880	2.2
187.11304	5.5
188.08525	0.7
189.09221	2.6
190.10065	1.2
197.48257	0.6
199.00729	2.5
203.10782	2.5
205.12337	80.4
206.12657	5.7
211.69658	0.7
215.00143	1.0
305.40695	0.7
333.71558	0.6
427.10706	1.1
427.15707	0.7
444.03177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12249	0.6
53.24724	0.6
55.01884	1.1
56.58078	0.6
57.03442	1.7
59.01384	10.1
61.98829	2.2
67.65986	0.6
71.01385	9.7
71.05025	12.4
72.99314	1.3
73.02953	20.1
75.00880	3.0
78.95900	1.7
79.91205	0.6
83.01395	1.0
85.02959	3.8
87.00886	5.5
89.02448	4.3
95.01406	0.8
96.96032	6.1
96.96964	1.6
98.19847	1.5
99.00897	3.8
99.04536	2.7
101.02460	3.0
103.04015	5.4
111.00865	0.8
113.02453	4.6
113.06100	0.9
117.01971	2.2
117.05587	100.0
118.05923	3.9
118.98042	1.1
119.03535	1.9
121.02973	0.8
122.03762	4.7
125.02465	3.4
130.54276	0.6
131.03529	0.7
131.07132	3.1
133.05086	2.5
136.99135	0.6
137.02415	1.0
147.03033	1.1
159.06639	7.6
160.06970	0.7
161.04575	2.0
165.06718	2.3
166.99878	0.7
169.01421	3.5
170.01646	0.6
177.02013	0.7
189.07729	3.7
193.01482	0.8
211.02400	1.0
219.08739	1.6
265.03445	0.8
271.04559	1.5
300.99561	0.7
329.08789	1.6
427.02234	2.5
427.08728	3.2
427.14539	47.6
428.09311	1.0
428.14960	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
57.12824	0.6
58.77285	0.6
59.01382	14.1
61.98824	2.6
69.34362	6.1
71.01391	5.0
71.05027	11.8
73.02940	1.9
73.49285	0.8
80.04437	0.7
85.02940	1.9
88.42574	0.8
89.02438	3.3
93.62648	0.7
95.01404	1.8
96.96028	2.2
101.02442	3.4
103.03995	1.7
107.01408	2.4
113.02455	2.4
117.05584	100.0
118.05943	3.5
123.00907	2.5
125.02456	11.0
131.03517	2.2
131.07138	3.1
139.00378	1.4
151.00366	1.3
161.04605	1.6
166.99883	0.7
168.00653	3.9
169.01436	15.6
170.01752	1.1
182.53253	0.6
211.02481	13.3
211.04353	1.2
212.02655	0.8
235.11862	2.9
241.03610	1.5
249.09828	1.7
267.10913	3.1
271.04599	19.5
272.04877	1.2
309.12009	1.1
313.05655	2.3
331.06705	1.9
346.07199	0.7
367.15796	1.5
367.20023	1.4
389.10870	1.7
409.08331	0.8
421.57660	0.8
427.08572	18.6
427.13574	1.0
428.09378	1.9
448.06281	0.7
452.82141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53016	1.6
59.01380	5.2
61.98837	99.3
66.82732	1.5
69.48681	3.0
69.49082	9.9
71.05033	4.9
81.03469	2.7
83.05054	3.6
85.02962	2.2
95.05037	2.2
98.92233	1.4
99.04539	7.2
107.05010	1.7
109.02957	3.5
109.06585	1.8
111.04543	3.2
123.04532	6.1
125.02470	4.4
127.04030	13.3
151.04033	5.0
152.04819	2.7
153.05582	6.6
167.03528	5.4
199.99281	1.4
236.46411	1.4
299.20029	3.4
327.23126	1.6
367.22876	3.9
381.24405	1.8
382.24783	9.9
383.25836	4.2
385.23773	4.1
398.24298	3.0
426.23666	19.6
427.24915	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	426.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01391	1.0
61.98835	100.0
69.58414	3.4
83.01417	1.2
99.48234	0.7
123.04491	0.9
125.02451	11.8
139.04062	1.0
167.03574	0.7
209.29805	0.9
310.86411	0.7
363.21838	0.8
383.22192	0.8
426.23676	4.0
427.25125	3.0
433.77133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
58.00600	0.6
59.01384	9.0
61.98845	0.9
64.57850	0.4
71.01390	7.0
71.05025	11.0
71.59211	0.5
71.59604	0.7
72.99301	1.6
73.02951	20.9
75.00880	3.3
78.95898	0.7
83.01408	0.6
85.02956	3.1
87.00871	4.9
89.02431	3.0
95.01392	1.2
96.96008	3.8
96.96945	1.0
99.00898	3.2
99.02663	0.6
99.04527	2.6
101.02462	3.4
103.04018	5.0
105.01925	0.6
105.03458	0.5
113.02464	3.8
113.06052	1.0
117.01925	1.8
117.05586	100.0
118.05923	4.1
119.03500	1.4
122.03741	1.8
123.00805	0.6
125.02462	2.3
131.07143	1.9
133.05034	1.4
137.02441	0.6
147.03000	1.0
159.06636	7.1
161.04555	1.6
165.06708	1.8
169.01443	2.0
177.01965	0.6
189.07678	3.0
205.05151	0.6
219.08665	1.3
261.45987	0.6
265.03427	0.6
316.94818	0.6
329.08813	0.8
340.02145	0.7
383.23422	0.6
403.10400	0.7
427.02390	1.8
427.08517	2.9
427.14529	42.8
428.14987	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	426.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69669	2.4
56.85853	2.8
61.98521	5.6
61.98837	100.0
71.24303	4.9
72.89020	2.4
75.93518	2.3
105.95456	2.6
125.02364	2.9
125.20157	2.6
125.60006	2.5
135.03102	2.8
167.07111	5.4
192.46460	2.8
255.10774	2.8
319.26270	7.2
363.25446	31.6
364.25961	3.8
382.28406	6.6
400.94250	2.4
426.27371	58.8
427.28036	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	425.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78286	0.3
55.01885	0.5
57.03455	9.6
65.00345	0.6
77.52254	0.3
81.03474	2.0
83.01397	9.4
85.06596	6.9
85.99062	0.3
86.95607	0.3
97.02934	1.5
98.19862	0.9
107.01394	0.6
109.06569	0.5
111.04519	1.5
121.02957	0.8
123.04536	1.4
125.02460	100.0
126.02789	3.2
132.44676	0.4
149.02469	1.4
151.00352	0.5
153.05591	41.0
154.05922	1.7
167.03510	1.8
179.65521	0.3
185.29518	0.3
204.30952	0.3
238.78827	0.4
271.17133	0.6
299.20276	2.1
363.35458	0.3
405.82751	0.3
407.22217	0.5
425.23343	5.9
425.28519	0.5
426.23804	1.3
438.66214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2334
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
55.29564	0.3
57.03452	10.7
63.02381	0.4
65.00322	0.5
66.75455	0.2
69.53178	1.8
76.04640	0.2
77.56427	0.3
81.03463	2.3
83.01392	10.9
83.05013	0.3
85.02956	0.5
87.00867	0.3
95.04996	0.3
98.20598	0.6
105.03461	0.4
107.01410	0.8
121.02972	1.1
123.04511	2.3
125.02454	100.0
126.02795	4.0
149.02446	1.7
151.00365	1.0
153.05592	0.7
163.00414	0.3
167.03494	2.5
299.20172	3.0
300.20490	0.3
363.25421	0.3
365.26324	0.5
381.23868	0.3
397.23611	0.3
407.22058	0.3
425.23340	7.0
425.28192	0.6
426.23654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2702
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
54.69055	0.4
55.01867	0.6
56.83572	0.3
57.03438	0.6
61.98835	14.8
70.74008	0.4
70.74345	0.6
79.01891	2.0
80.02659	0.4
81.03447	0.5
82.89369	0.4
85.06584	1.0
87.04500	1.3
99.08179	3.7
105.07072	0.4
107.05038	0.6
109.02926	0.5
111.04543	0.5
117.15936	0.3
121.06648	0.7
123.08170	8.6
124.08508	0.5
127.32050	0.3
130.16734	0.3
135.04411	0.4
137.02364	0.4
149.06102	1.6
151.03979	0.6
152.04768	1.2
163.07649	0.5
165.05597	0.6
166.06364	0.7
167.07147	10.8
168.07471	0.7
177.09213	0.6
177.30846	0.3
179.03528	3.3
180.04192	0.5
189.05484	0.4
191.10748	0.4
193.05061	4.6
194.04144	0.6
194.05846	6.9
195.06198	0.6
207.06621	1.8
208.07350	3.2
221.08206	5.3
222.08763	1.1
226.04839	1.8
232.42253	0.4
233.15384	1.2
235.09810	2.0
240.06393	0.4
246.81978	0.3
249.11345	0.7
250.11989	0.4
254.08018	0.7
259.57877	0.3
263.12921	3.1
277.14569	1.6
278.14999	0.5
289.21695	0.5
299.20163	0.4
311.23969	0.4
317.17627	0.5
319.26486	0.7
363.25449	4.9
381.28018	15.1
382.28348	2.4
425.26978	100.0
426.27350	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2339
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
55.01867	1.3
57.03443	1.6
59.01361	1.6
61.98825	5.3
68.13199	1.0
70.92469	2.1
73.02950	0.9
81.03470	1.5
81.07128	0.9
83.05016	2.3
95.05007	1.0
123.04523	4.1
123.08174	1.9
125.02493	4.7
137.06081	1.1
139.04063	1.4
141.09225	3.9
149.06155	1.5
151.04012	2.4
152.04762	1.4
153.05591	2.4
161.54089	1.1
177.05522	2.1
179.03542	1.9
180.04312	2.0
182.09399	1.0
187.07634	1.6
194.23808	1.0
196.70535	1.0
205.05070	1.3
250.15871	0.9
273.08829	1.1
289.19714	1.4
291.17584	3.0
307.20529	4.9
309.22577	1.2
337.21497	1.3
381.20410	1.5
381.24597	3.0
381.29749	1.3
382.24777	1.2
383.22223	2.2
425.01514	2.1
425.23370	100.0
425.28632	4.9
425.72650	1.3
426.23651	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	425.2338
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
52.44225	0.7
55.01880	3.1
57.03451	3.9
59.01373	1.8
60.11939	0.7
66.41431	0.7
67.01890	1.0
71.05024	1.5
74.36420	0.7
75.00859	0.8
79.01894	4.5
81.03479	4.8
83.01365	1.0
83.05024	1.3
85.02946	2.0
93.03474	0.9
95.01385	1.5
95.05035	18.8
96.09112	0.7
96.96027	5.6
97.02952	1.4
99.04528	1.4
107.05045	1.6
108.02126	1.0
109.02959	1.4
111.00907	2.1
111.04504	1.0
121.02969	1.4
122.03710	1.1
123.04536	53.6
124.01688	4.7
124.04881	2.3
125.02458	17.3
135.04524	3.4
136.05341	5.4
137.02441	2.2
138.03241	6.3
139.00392	1.0
149.02458	2.0
149.06064	2.6
150.03255	0.9
151.00342	2.9
151.04015	3.1
152.01137	2.8
152.04814	1.0
164.04865	1.3
165.01976	1.4
165.05557	1.1
166.02719	2.8
167.03508	1.7
170.02266	1.8
177.05573	2.6
177.12759	0.7
178.06386	1.0
179.03535	4.8
191.07251	1.2
193.05096	1.4
219.10365	1.5
221.07980	1.1
235.09755	2.0
236.10753	1.2
240.10307	0.9
257.19177	1.6
289.14563	0.7
299.20148	8.7
300.20428	1.0
311.23862	2.1
313.21875	1.1
339.23285	6.9
340.23529	1.3
353.24915	2.3
355.22705	3.4
363.23358	2.1
365.21393	0.8
369.20761	3.5
370.20963	0.9
381.24377	100.0
382.24710	18.5
383.22302	44.2
397.23956	2.0
407.31628	1.3
425.23270	82.9
425.32718	4.0
426.23615	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	425.182
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
56.45323	2.8
57.03433	2.8
59.01374	10.5
61.29737	2.8
71.01382	8.8
83.05072	3.9
85.02979	3.9
90.86886	2.7
96.96046	6.6
97.02941	8.5
101.02434	4.4
105.07085	3.5
108.05849	4.2
109.02936	7.1
110.30585	2.8
111.02017	3.1
111.04545	7.2
113.02449	5.0
113.06113	7.7
119.05048	36.2
122.03738	8.4
123.08172	7.7
125.06112	15.5
132.02180	3.3
133.54240	2.9
135.04572	5.8
136.05290	10.1
137.06104	3.9
138.06857	12.3
139.07674	31.6
148.24902	3.0
149.06075	4.2
151.07664	60.1
152.04756	5.6
152.08449	31.0
153.09203	12.3
161.02425	10.6
161.09673	4.2
163.04008	31.7
163.07680	8.6
167.07091	5.1
172.01582	4.5
176.03238	2.9
189.05426	3.1
189.09128	3.3
201.12831	25.0
203.10797	10.0
204.11540	28.5
205.11801	4.2
216.00648	5.6
219.13887	60.0
220.14270	5.7
243.13902	3.1
244.00072	3.9
245.11780	12.0
263.12869	100.0
264.13199	7.1
270.98743	6.6
271.99481	5.9
282.99069	4.5
283.99521	3.7
287.12875	9.0
298.98312	11.8
299.99072	56.9
300.99811	43.7
302.00363	3.5
425.01715	24.1
425.14487	6.0
426.02219	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1852
Annotation	FR901483
Peak:m/z	Relative Intensity
57.03443	0.9
59.01383	5.9
71.01376	0.8
71.04160	0.7
71.61187	1.0
79.95722	2.8
81.03463	1.0
85.02955	1.1
96.96014	67.8
108.78628	0.7
111.01995	0.8
115.07579	0.8
123.04534	1.1
125.02428	1.8
127.48566	0.6
145.02960	0.9
151.00719	0.8
153.05554	1.4
155.52647	0.7
156.13480	0.7
158.70833	0.7
161.99876	0.8
219.13858	1.1
237.18491	1.1
265.21259	0.7
283.22797	22.0
284.23303	1.7
285.20712	49.8
286.21133	5.4
299.99042	3.1
300.99829	2.3
306.94400	0.9
309.20679	2.8
327.21634	5.2
328.22165	1.3
339.55804	0.8
345.22787	22.4
346.22998	2.8
363.18298	2.9
365.16302	2.2
366.99408	0.8
410.40152	0.9
425.01617	4.4
425.18399	100.0
426.18759	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	425.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25727	0.5
55.01906	0.9
59.01378	1.8
63.77998	0.4
67.01891	0.7
68.99809	1.4
69.03446	1.4
71.01384	7.0
73.02940	1.2
79.01882	1.0
79.74604	0.4
81.03432	0.6
83.01382	1.6
85.02953	1.5
87.00884	1.2
89.02457	0.8
95.01399	1.3
97.02969	0.7
101.02424	2.7
101.06084	1.7
107.00699	0.8
107.01395	10.7
108.01718	0.5
109.02981	0.9
111.00871	7.0
113.02444	2.4
115.07628	1.6
115.23766	0.4
123.00892	9.6
123.04427	0.5
124.01722	1.1
125.02448	73.2
126.02732	2.1
127.00375	0.9
129.01965	0.6
133.74750	0.4
136.98766	0.8
137.02432	1.3
139.00391	3.4
140.01190	2.5
141.01915	1.3
151.00359	8.6
151.04001	1.0
153.01903	0.5
161.02435	0.6
161.04549	0.6
168.00650	2.4
169.01424	100.0
170.01756	5.4
196.26144	0.4
211.02420	1.5
223.02478	0.9
241.03606	4.0
253.03534	0.6
263.02026	1.0
299.99081	1.4
300.99780	1.1
313.05643	34.8
314.06042	2.9
323.09921	0.4
397.07739	0.9
407.07892	1.2
425.07233	96.3
426.07568	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	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18205	0.4
59.01379	3.2
61.98824	1.3
71.01391	1.8
71.05025	1.9
71.60986	0.5
73.02928	0.6
79.95737	1.1
85.02953	0.8
87.00874	0.6
89.02477	0.7
93.03471	0.6
95.26803	0.4
96.96012	12.1
99.04541	0.6
101.02439	0.7
109.02950	0.5
113.02449	0.5
117.03474	23.3
117.05589	10.6
118.03789	1.0
119.03593	0.3
119.05036	6.7
120.05392	0.4
121.02943	0.5
122.03721	0.5
123.00951	0.4
123.04507	0.4
125.02454	1.6
130.21352	0.3
133.06618	0.9
135.04550	0.5
139.04030	2.1
141.01776	0.3
145.02960	100.0
146.03300	6.2
147.04504	0.9
158.03751	0.4
159.04520	1.0
161.02362	0.4
161.06110	1.5
163.04018	13.5
164.04361	0.8
169.01405	1.3
175.03925	0.4
179.03511	0.6
187.04012	5.3
203.10654	0.5
205.05078	1.1
256.38400	0.4
270.99020	0.4
289.07205	1.5
298.98486	0.3
299.99115	1.8
300.99921	1.8
345.23096	0.3
363.18338	0.4
381.01813	0.4
407.24500	0.6
425.01010	2.0
425.06290	0.5
425.13724	4.5
425.19348	0.7
425.26031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.9
61.98833	1.0
67.03019	5.8
71.01385	12.7
71.05029	4.5
71.61585	1.4
73.02943	1.6
79.95744	1.4
83.01402	2.0
85.02941	3.4
87.00893	2.0
89.02446	16.0
91.73537	1.1
93.03471	1.7
96.96016	25.5
99.04524	16.4
101.02452	10.4
111.02008	11.4
113.02447	5.4
117.03471	11.9
117.04781	1.7
117.05585	27.1
118.05929	1.1
119.03611	5.3
119.05025	28.5
120.05340	1.1
121.02966	1.4
123.00874	1.3
123.04525	1.5
125.02487	4.5
125.78553	0.8
132.05806	1.2
133.06615	6.3
134.03781	1.5
135.04514	1.0
139.04021	1.7
145.02959	56.8
146.03281	3.8
148.19656	1.0
149.06015	1.3
154.26813	1.1
161.06094	14.8
163.04010	33.9
164.04359	1.8
169.01424	7.8
177.05551	6.4
179.05627	1.3
179.07117	2.1
187.03960	1.5
205.05025	11.7
206.05319	1.5
211.02473	2.4
235.06042	2.6
265.07166	9.4
271.04697	2.6
279.10855	100.0
280.11148	7.8
291.09174	1.3
299.99106	1.8
307.08279	2.3
309.96106	0.9
313.05591	2.9
332.94086	1.0
417.12225	1.1
425.01523	2.9
425.09955	2.5
425.14517	49.1
425.19330	5.1
426.14899	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	425.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02266	0.3
57.33330	0.3
59.01389	2.6
61.98841	0.7
62.94664	0.2
65.74710	0.2
71.01383	1.4
71.05026	2.4
71.60816	0.2
73.02948	0.3
78.25035	0.3
78.95959	0.3
79.95739	0.5
83.01401	0.3
85.02959	0.9
89.02456	0.6
93.03454	0.3
96.96021	4.4
99.04556	0.3
101.02452	0.5
109.02930	0.3
111.01981	0.3
113.02449	0.7
117.03481	25.4
117.05587	11.9
118.03822	0.9
118.05909	0.4
119.05039	7.6
120.05365	0.3
122.03712	0.3
123.00909	0.7
124.01636	0.4
125.02451	1.3
125.09728	0.4
131.04971	0.3
132.75146	0.2
133.06618	0.5
135.04573	0.4
137.02414	0.4
139.00377	0.3
139.04018	1.9
145.02966	100.0
146.03305	6.1
151.00327	0.4
159.04526	0.8
159.06621	0.3
161.06041	1.5
163.04019	13.0
164.04367	0.8
169.01427	0.7
173.06190	0.3
177.05550	0.3
180.89909	0.3
187.04025	4.8
203.10809	0.4
205.05058	1.2
289.07361	0.6
299.99100	0.4
300.99750	0.3
325.32144	0.3
363.18259	0.4
425.01575	1.6
425.14050	4.2
425.18649	0.8
425.26022	0.3
426.14832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.0
58.99623	0.6
59.01389	19.8
61.02600	0.6
67.03036	2.7
69.31567	5.5
70.08768	0.5
71.01392	15.0
71.05032	3.8
72.99317	0.6
73.02950	1.0
81.82601	0.6
83.01419	1.1
84.62351	0.5
85.02985	1.8
87.00905	1.8
89.02458	15.5
93.03484	1.7
96.96014	11.5
99.04535	17.3
101.02450	9.9
109.02958	0.6
111.02041	3.9
113.02454	6.3
117.03487	9.2
117.05592	25.4
118.05980	0.8
119.03589	5.6
119.05036	30.2
120.05389	2.1
121.02965	0.9
123.04553	1.2
125.02491	3.7
125.09821	0.6
131.05058	1.1
132.05859	1.7
133.06615	6.4
135.04593	0.6
137.02379	0.9
139.04008	1.5
143.03583	0.7
145.02968	52.4
146.03336	2.9
147.04521	0.9
149.06064	1.0
153.16939	0.6
159.04601	0.7
159.06702	1.0
161.04738	0.8
161.06076	14.2
162.06415	1.2
163.04018	34.5
164.04370	2.0
169.01393	3.8
177.05562	5.5
187.06517	0.6
205.05077	12.7
206.05441	0.8
217.05179	0.7
235.06088	2.7
261.09650	0.6
263.91388	0.7
265.07190	8.9
266.07465	0.8
279.10867	100.0
280.11224	8.2
289.07196	2.4
299.99103	1.7
300.99823	2.2
307.08148	1.4
313.05533	0.8
335.28674	0.6
407.13464	1.0
425.01660	1.8
425.14520	44.8
426.14972	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	303.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88451	1.5
53.03945	3.9
53.05745	1.3
55.01868	5.5
55.05513	11.6
57.07070	4.7
57.79340	1.6
65.03946	3.8
67.05506	58.2
68.99792	4.7
69.03425	7.2
69.07060	9.6
70.06583	3.0
71.57082	2.6
79.05495	34.0
79.40293	1.7
81.07062	55.7
83.01357	11.4
83.04983	5.7
83.08620	3.6
85.02924	3.5
87.74228	1.6
88.07629	3.9
91.05486	20.8
93.07050	41.4
95.05005	9.4
95.08607	49.8
97.06528	11.8
97.10207	1.9
105.07042	12.0
106.08691	1.7
107.04995	3.5
107.08595	30.8
109.02856	2.5
109.06513	5.3
109.10167	31.3
111.00805	1.7
111.04436	4.0
115.05490	1.8
117.07015	7.6
117.82449	1.6
119.08592	11.0
121.02886	3.1
121.06537	3.9
121.10135	22.2
121.67075	1.6
123.04461	4.5
123.08089	4.0
123.11708	7.4
125.02387	8.1
125.05995	7.5
125.09627	1.7
127.03924	2.3
129.07034	2.7
131.08580	11.3
133.06531	2.0
133.10162	8.0
135.08078	5.0
135.11685	10.6
137.02373	7.0
137.05995	5.8
137.09612	3.1
139.03909	4.1
140.04729	2.1
141.05482	9.9
141.06952	1.6
143.08588	5.3
145.06497	2.3
145.10126	11.6
147.04448	2.6
147.08083	2.5
147.11687	2.1
149.09572	4.5
151.03989	2.5
151.07526	3.5
151.11111	2.9
153.01837	25.6
153.05482	35.1
153.09081	2.5
155.08548	2.5
157.10126	2.2
159.08064	2.7
159.11723	6.6
161.09581	4.5
161.13304	5.1
163.03955	2.8
163.07559	5.8
163.11252	2.8
163.14807	17.6
165.01881	4.9
165.09164	2.5
166.58238	1.7
167.03435	2.8
167.07083	3.3
168.00604	3.4
169.10133	5.0
173.09656	2.7
173.13283	6.9
175.11212	1.7
177.09137	6.6
177.12801	2.2
179.07077	3.9
181.04930	2.3
181.08669	3.8
183.02943	13.0
183.04401	2.8
183.11717	4.2
185.13174	2.1
187.07599	2.5
187.11162	7.6
187.14844	17.8
189.12859	2.5
191.07039	3.2
193.08513	2.9
195.10172	2.6
197.09705	2.3
199.14938	3.2
201.01764	2.2
201.05499	3.9
201.12700	7.5
201.16469	4.9
205.08609	2.0
207.13950	2.9
209.11742	7.1
211.14877	3.4
215.10699	3.9
215.14328	1.9
223.13356	5.2
224.12837	1.4
229.05063	9.7
229.12228	3.6
229.15892	4.1
229.19522	2.9
233.11772	1.9
237.14804	2.6
239.17969	5.2
243.13748	2.6
247.13194	1.9
247.16891	2.2
257.00928	2.1
257.04514	3.7
257.19000	16.8
259.20450	2.2
261.15057	2.0
266.29022	1.6
267.17407	1.7
285.00473	3.0
285.03891	3.0
285.15186	2.8
285.18524	26.6
285.21732	3.2
288.05392	3.3
303.01395	20.7
303.05008	100.0
303.08243	6.8
303.15967	14.7
303.19565	65.5
303.23193	7.9
303.27194	2.5
303.30853	27.4
304.05426	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	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97470	0.1
56.96568	0.7
63.65755	0.1
69.83646	0.4
69.84431	0.1
72.04938	0.1
82.99889	0.3
85.86224	0.1
98.97581	2.9
99.97932	0.1
100.97215	0.1
100.97961	0.1
101.00882	4.3
116.98619	2.2
119.01923	13.7
120.02029	0.2
133.03473	0.2
134.99747	1.7
137.02946	3.2
140.98817	0.4
142.03519	0.3
143.00208	0.1
153.00946	0.5
155.70923	0.1
156.50038	0.1
156.97467	0.1
158.99884	2.1
165.99744	0.3
173.01266	0.2
175.03055	0.5
177.00951	26.8
177.93396	0.1
178.01036	0.9
179.01363	0.3
179.99066	0.1
182.99847	0.7
189.00713	0.1
191.02437	0.2
193.04109	0.3
195.02020	0.4
196.38339	0.1
197.00514	0.2
197.02905	0.1
199.03006	0.2
200.02586	0.3
201.00896	1.8
201.02518	0.2
207.31938	0.1
215.01694	0.2
217.04085	3.6
218.03998	0.1
219.02003	28.7
219.94592	0.4
220.02106	1.5
220.04222	0.2
221.02255	0.3
223.99936	0.1
225.00862	2.5
227.99559	0.1
233.03572	0.3
234.00862	0.1
237.03006	0.2
237.95450	0.2
237.98979	0.1
238.03369	0.1
242.03650	0.6
242.96104	0.4
243.01970	10.0
244.02199	0.1
261.03052	100.0
262.03189	2.3
263.03455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	(+)-Butalactin
Peak:m/z	Relative Intensity
53.03947	3.7
55.01872	6.0
55.05513	15.8
57.03445	15.8
59.05004	4.5
67.01858	2.4
67.05502	6.2
69.03436	62.3
69.79792	7.1
71.01357	7.3
71.04998	5.8
73.02920	4.1
79.05486	6.8
81.03428	11.1
81.07062	5.3
83.04987	100.0
85.02911	24.8
87.04459	8.7
91.05501	3.2
93.07043	3.7
95.04980	14.3
95.08598	2.7
97.02901	45.5
97.06538	3.7
98.21069	4.2
99.03890	1.6
99.04452	9.1
101.02384	1.9
101.06030	9.2
105.07062	2.2
107.04963	4.6
107.36044	1.5
109.02888	8.0
109.06505	6.8
109.07172	1.4
111.04456	41.0
113.02453	1.9
113.03519	2.1
113.05981	2.9
115.03941	9.5
118.78230	1.8
121.02869	3.1
122.75809	1.8
123.04440	6.5
123.11664	1.6
125.05991	3.3
126.03185	3.0
127.03909	3.3
129.05499	9.1
133.06418	1.8
135.04427	2.8
137.05980	2.9
139.03906	5.4
141.05470	11.5
143.03413	6.9
151.03915	4.7
151.07495	2.3
153.01846	2.2
153.05489	3.4
155.07112	2.1
155.08600	1.9
157.04993	3.2
163.03896	2.0
165.05542	4.2
169.04980	20.8
177.05457	2.4
179.07037	3.4
181.04933	3.3
183.06581	4.1
183.08105	1.9
185.04482	37.1
225.07561	10.7
228.07877	2.3
243.06375	1.9
243.08432	17.0
243.10886	2.3
243.13705	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03949	2.7
55.05511	27.0
57.03436	1.8
57.07076	100.0
58.07382	1.1
59.94150	1.0
65.03938	3.2
67.05506	51.5
69.07067	17.6
70.80573	3.3
71.04996	2.4
71.08630	95.9
78.77247	1.1
79.05495	29.5
79.05958	1.5
81.07057	63.7
83.04984	12.3
83.08643	6.3
85.06543	2.2
85.10210	1.4
87.04472	3.2
91.05476	8.2
93.03391	1.2
93.07045	40.7
95.04984	2.8
95.08610	29.0
97.06528	9.1
97.10165	9.7
98.21163	1.3
99.08111	1.7
101.06039	3.6
102.77809	1.3
103.26396	1.2
105.07044	3.3
107.08593	21.0
109.06535	1.9
109.10161	11.4
111.04454	11.7
111.08088	2.3
113.06013	2.4
117.07016	2.1
119.08584	4.6
121.06474	1.2
121.10146	47.0
121.11027	2.3
123.11724	12.1
125.05975	1.4
125.09610	1.9
129.05486	1.8
129.06982	1.4
131.08545	4.2
133.10152	2.6
135.08032	1.8
135.11682	17.7
139.07542	3.0
139.11143	1.2
141.12743	44.1
145.10106	5.8
149.09625	2.5
149.13255	1.7
157.10132	2.0
159.11658	2.7
163.14822	2.4
167.29355	1.3
171.11705	3.7
177.16385	34.6
181.15858	1.6
185.13275	2.4
187.13277	1.4
187.14790	5.7
195.17409	5.8
205.15939	7.7
208.78975	1.2
223.16934	4.1
237.34296	1.1
241.12375	1.4
241.15692	2.3
241.17978	10.2
241.19771	5.0
260.03561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.8
56.96550	4.1
57.03437	21.5
58.06607	7.2
61.02910	7.6
69.03426	8.2
69.94803	13.3
69.95201	7.3
71.01358	9.1
71.05001	8.1
73.02914	12.0
81.03414	4.5
83.01311	4.4
85.02895	15.0
87.04457	12.7
89.02399	4.9
97.02887	10.4
98.03263	3.4
101.02394	25.9
110.07160	7.3
112.03970	8.3
113.02361	3.8
115.03933	42.7
119.01961	3.7
123.38961	3.4
129.01842	34.2
133.04958	5.3
134.06010	8.2
143.03398	21.9
147.05034	8.2
150.09161	3.5
152.07056	15.2
153.01857	5.1
155.05530	6.5
157.01324	43.9
160.54594	4.3
161.04445	30.9
171.02969	5.4
175.02303	4.1
176.04036	6.3
189.03967	100.0
196.09666	54.4
207.05104	4.3
242.08025	6.1
242.10191	54.7
242.15894	29.7
254.11002	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	238.1074
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
51.02355	1.0
53.03954	1.0
53.89098	0.8
55.05503	2.6
56.96551	1.8
68.05038	1.2
69.03438	1.1
69.07066	3.9
71.55299	1.4
73.02939	1.4
73.06551	2.8
79.01845	3.6
79.05505	4.7
80.00261	1.0
81.03431	1.1
81.07068	1.1
82.11092	0.9
83.08601	1.6
85.02877	1.6
85.26160	0.9
91.05485	5.3
95.02472	2.7
96.04443	1.3
97.02898	3.9
98.97608	1.7
103.05454	7.1
105.07034	15.0
106.06556	4.6
107.04958	3.7
109.02909	1.8
113.03480	15.5
113.59643	1.2
114.05461	1.4
116.98603	1.0
117.05784	3.8
118.06566	7.2
119.07332	11.6
119.08614	1.7
120.08105	9.6
124.03961	21.0
128.42015	1.1
129.07021	6.6
130.06537	3.0
131.04953	3.3
131.07314	1.6
132.08095	32.3
135.04422	1.4
143.00113	1.4
143.03432	2.4
146.06079	1.5
146.09653	77.4
150.96927	1.0
153.01840	23.3
153.02899	1.1
154.02167	3.5
154.94199	1.6
156.02937	1.6
161.01198	1.9
163.03922	1.5
164.07065	1.8
164.10703	1.7
172.95282	2.4
174.05449	1.3
174.09158	3.1
178.08594	7.6
190.96295	2.3
192.06584	6.4
192.10199	100.0
203.02296	1.4
220.09731	1.6
232.97397	1.1
236.54016	1.0
238.07179	1.9
238.10753	27.0
245.02849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Atlantolone
Peak:m/z	Relative Intensity
51.16429	1.6
53.03945	3.1
55.01863	3.3
55.05511	16.1
57.03434	3.3
57.07079	27.2
58.00679	1.6
59.04994	2.2
60.62367	1.6
61.66553	1.2
61.68304	1.5
61.80682	1.7
62.65902	1.6
67.05509	16.2
67.37305	1.6
67.61708	1.6
69.07073	25.1
71.04998	13.7
71.57780	2.7
79.05498	13.2
81.07059	30.9
83.04987	22.7
83.08607	9.0
85.06548	22.7
85.07571	1.6
91.05488	9.9
92.31634	1.5
93.07053	29.7
95.04967	4.1
95.08611	41.3
97.06564	8.7
97.10181	4.3
99.04451	6.8
105.07034	29.4
107.08595	29.4
109.06493	4.7
109.10162	18.6
111.04443	5.5
111.08076	3.3
117.06975	2.3
118.06532	2.4
119.08586	33.4
121.06507	2.9
121.09301	2.6
121.10154	33.4
123.08057	10.5
123.11690	11.0
125.09618	3.5
131.08568	6.9
133.10124	13.8
135.04453	1.9
135.08087	2.7
135.11696	21.0
137.09621	4.3
137.13232	3.4
145.10132	11.3
147.06828	2.1
147.11700	7.3
149.09598	2.3
149.13269	6.0
151.11200	2.8
151.14885	2.1
153.01811	4.4
153.05475	2.7
159.11702	14.4
161.13255	41.5
163.07579	1.7
163.11180	17.9
165.05508	2.2
165.07097	1.8
165.12764	3.5
167.10724	1.9
167.14275	1.9
173.13316	2.9
175.07582	2.4
175.14816	5.2
177.12744	2.3
177.16354	5.8
179.14322	100.0
181.04958	6.9
181.10007	3.4
181.12289	7.7
191.10681	5.3
191.14259	2.1
191.17958	8.0
192.06578	12.6
195.10207	3.5
201.16333	12.7
209.11743	11.5
209.18907	1.8
219.14052	1.9
219.17468	21.5
237.10980	8.9
237.14519	2.2
237.16440	8.0
237.18538	47.3
237.22089	3.6
259.11987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.05515	27.1
57.07074	23.1
59.04995	6.0
61.02925	8.1
67.05506	37.6
68.99786	2.8
69.07068	43.1
69.35650	2.9
69.35974	24.0
71.04995	36.4
71.08638	4.9
74.70801	2.9
79.05489	26.4
81.07059	92.8
83.04977	16.6
83.08611	14.5
85.06560	31.9
85.82883	2.7
91.05480	18.2
93.07047	62.4
95.04987	7.5
95.08616	100.0
97.06538	9.2
97.10178	5.9
98.21132	13.7
99.03822	5.8
99.04455	74.8
101.06013	5.6
105.07034	46.9
107.08595	50.9
109.06519	7.2
109.10158	45.0
111.04417	3.1
111.08083	7.9
117.07065	3.8
119.08578	45.6
121.06554	3.5
121.10158	51.7
123.08083	9.0
123.11710	35.8
125.09628	6.1
127.03925	3.2
131.08569	9.0
133.10152	30.9
135.11702	42.4
137.09698	5.8
137.13316	6.5
139.03815	2.7
139.11182	3.1
145.10127	19.5
147.06871	3.2
147.11716	9.3
148.07611	3.8
149.13225	14.5
151.11157	3.8
151.14825	3.8
153.05403	3.5
153.09074	2.8
159.11700	52.8
161.13268	70.7
163.11208	14.4
167.03442	11.0
170.05208	2.7
173.13202	3.9
175.14850	23.5
177.12764	9.5
177.16406	18.8
179.14311	64.5
191.17932	17.3
192.06575	19.2
195.17421	9.0
201.16374	32.5
209.11699	6.5
219.17456	42.3
237.11053	3.1
237.16470	4.3
237.18501	72.3
237.20702	4.7
237.22229	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.20369	3.1
55.05514	4.5
55.87746	2.8
58.38311	3.0
61.09135	3.1
67.05486	4.9
70.77323	8.6
71.04994	100.0
79.05486	6.6
81.07059	13.1
86.85072	2.8
88.57042	3.2
89.06039	28.2
91.05473	4.0
93.07049	21.3
95.08630	4.9
98.21295	5.2
100.74615	3.9
105.07057	15.0
107.08611	12.4
109.10173	9.4
111.08102	3.3
119.08592	14.1
121.10136	5.8
127.11175	19.6
145.10117	15.2
147.11673	41.3
149.13255	58.6
151.11188	5.9
159.11693	4.3
179.14250	15.3
201.16409	8.9
219.17418	48.8
237.18417	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05520	8.7
55.91810	1.7
57.07086	2.6
59.05001	6.1
61.02930	4.2
61.51250	1.8
67.05513	8.9
69.07070	12.5
71.04997	9.7
79.05502	13.5
81.07064	50.5
83.08624	3.9
85.06544	8.8
91.05471	14.8
93.07044	41.7
95.04971	2.8
95.08608	42.8
97.06544	8.2
97.10166	3.3
98.21317	10.5
105.07039	32.5
107.08595	29.2
108.11105	1.7
109.10175	16.6
111.08074	9.4
117.07060	3.4
119.08585	50.6
121.10149	100.0
123.08106	3.2
123.11700	4.2
124.25150	1.6
125.09649	11.6
131.08578	6.0
133.10126	19.3
135.11696	22.8
139.11177	23.1
145.10132	21.3
147.11684	2.7
149.13284	6.1
150.10872	1.7
159.11685	34.7
161.13261	68.5
163.11162	1.9
173.13258	5.4
174.11481	1.5
175.14816	5.3
177.16382	14.7
179.14374	2.3
191.14273	2.8
191.17993	2.9
193.96658	1.8
201.16397	39.8
219.17442	24.0
237.07596	2.0
237.18532	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03954	1.3
53.57354	0.9
55.01859	1.7
55.05507	5.8
55.51756	0.9
57.07066	1.8
58.06584	0.9
59.05000	1.6
60.27646	0.9
61.02928	2.7
64.35898	1.0
67.05511	7.9
69.07061	8.4
71.04996	13.5
71.08649	1.2
72.85824	0.8
79.05489	4.9
81.07053	12.9
83.04986	2.1
83.08626	5.9
85.02919	0.9
85.06546	69.6
91.05486	8.3
93.07048	15.9
95.04953	2.6
95.08613	22.9
97.06548	2.7
97.10109	1.2
98.20818	4.1
98.21506	2.7
99.08089	1.2
105.07027	26.4
107.08595	17.2
109.06544	2.1
109.10171	8.4
111.08086	3.4
113.09664	2.3
117.07022	3.5
117.91469	0.9
119.08586	25.0
121.10157	15.1
123.08073	1.6
123.11707	3.8
125.09624	9.3
127.07576	1.2
131.08563	9.6
133.10126	12.4
135.11690	12.0
137.09619	1.8
137.13284	1.9
144.09326	3.0
145.10124	10.3
147.11656	1.3
147.81674	1.2
149.02357	6.9
149.09641	2.2
149.13274	4.0
157.10175	1.3
159.11693	100.0
161.11967	1.9
161.13269	30.9
163.11121	2.6
173.13280	2.8
175.14857	12.5
177.12766	7.9
177.16380	15.3
179.14310	2.5
181.10069	1.3
186.14058	1.5
191.14262	5.0
191.17955	3.7
192.06575	8.9
193.04929	3.1
195.11365	1.0
201.16386	58.6
219.14044	1.6
219.17448	39.3
237.07361	4.7
237.14771	2.1
237.18504	9.1
237.22214	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	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03922	3.9
55.05513	28.2
57.07078	13.8
59.05007	5.3
59.34097	2.1
61.02923	14.1
67.05504	31.2
69.07067	30.1
70.20605	10.2
71.05008	13.5
79.05489	21.2
81.07056	86.7
83.04983	15.1
83.08614	11.2
83.70307	2.3
85.06551	13.5
91.05497	14.6
93.07043	52.5
95.04976	2.7
95.08609	78.1
97.06506	4.7
97.10170	5.0
98.21535	2.5
99.04430	9.9
101.06003	3.0
105.07027	38.8
107.08603	47.4
109.06516	6.1
109.10155	67.6
111.08083	7.7
117.06997	3.8
119.08581	43.1
121.09303	4.9
121.10143	63.1
123.08053	9.9
123.11707	100.0
125.09634	4.4
127.07586	4.0
131.08514	5.9
133.10139	28.0
135.08083	3.4
135.11670	27.1
137.09618	3.7
137.13235	3.5
141.09087	3.0
145.10118	21.6
147.11710	12.6
149.09541	3.2
149.13245	12.6
151.11160	5.2
159.11703	25.5
161.13254	56.1
163.11188	17.8
167.08426	2.7
167.10663	2.6
169.10075	4.1
173.13249	3.4
175.14827	32.5
177.12717	7.2
177.16415	25.6
179.14304	61.9
181.10150	3.7
181.12222	6.7
191.17934	14.3
192.06633	5.5
195.11682	6.0
201.16376	23.7
209.11658	2.9
219.17435	48.6
237.16345	16.9
237.18503	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	10-Sesquigeranic acid
Peak:m/z	Relative Intensity
55.05505	15.0
57.07084	9.4
58.26488	4.2
61.02935	46.0
61.59822	4.8
64.96831	3.8
67.05495	20.1
69.07064	37.8
70.52075	13.6
71.04987	22.3
77.76629	5.0
79.05498	35.4
81.07062	83.1
83.08613	6.1
85.06554	7.3
91.05475	14.5
93.02467	4.6
93.07053	56.8
95.08610	57.7
97.06509	6.3
97.10182	6.0
103.62096	5.3
105.07043	44.8
107.04961	6.3
107.08601	71.4
109.10155	33.2
110.88589	4.2
111.08052	9.6
111.11700	10.1
119.08576	42.3
121.10145	100.0
123.08064	6.7
123.11720	6.6
125.06009	35.5
125.09624	9.9
131.08565	12.5
133.10129	30.7
133.23676	4.6
135.08073	5.1
135.11699	27.8
137.09474	5.2
139.11192	8.6
145.10139	23.8
147.11665	19.8
149.09689	8.8
149.13264	15.0
151.11188	5.0
159.11708	40.3
161.13248	41.0
163.11224	21.8
163.14828	9.7
175.14832	53.9
177.12729	23.6
177.16385	48.3
179.14290	6.6
181.04982	8.0
181.12190	11.7
191.14336	5.0
191.17918	11.9
192.06506	5.7
201.16403	32.5
203.87370	4.6
219.17464	64.7
237.16394	6.6
237.18517	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	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03932	2.5
55.05513	44.8
56.56066	1.7
57.07067	3.0
65.03961	2.5
67.05511	20.5
69.03438	8.1
69.07073	22.8
71.04983	5.0
71.24989	3.6
73.49758	1.4
79.05495	11.3
81.03436	1.6
81.06629	2.7
81.07057	26.5
82.97888	2.1
83.04479	2.9
83.04982	60.2
83.08135	3.6
83.08620	60.3
85.02872	1.5
85.06528	3.9
91.05479	10.4
93.07034	22.0
95.04979	10.6
95.08044	2.8
95.08611	36.3
97.02881	3.4
97.06503	10.0
97.10162	5.7
98.20861	1.6
99.04478	1.7
99.08083	2.0
105.07040	17.7
107.04889	3.3
107.08602	44.0
109.06516	15.1
109.10158	45.7
111.04449	30.9
111.08079	10.0
113.05981	4.7
113.09657	11.3
117.06988	4.5
117.72051	1.7
119.08578	14.6
121.06521	28.8
121.10152	26.9
123.04483	1.9
123.08051	7.9
123.11701	10.4
125.05979	5.8
125.09662	13.2
127.07575	9.6
131.08568	6.9
133.10115	19.4
135.08072	15.4
135.11697	7.0
136.08832	42.0
137.08655	2.5
137.09619	35.4
139.07527	12.3
143.08569	2.0
145.10130	5.6
147.11636	4.5
148.07556	2.8
149.02260	2.5
149.09599	3.9
149.13255	31.2
151.11180	3.9
151.14801	3.2
153.09100	16.4
155.10574	2.8
159.08081	2.0
159.11691	22.7
161.09631	22.5
161.13289	1.8
163.07509	3.7
163.11147	2.1
163.14896	2.3
167.14325	7.4
173.13258	6.5
177.09161	2.7
177.12773	28.6
179.10675	86.7
181.10101	2.9
186.10266	2.0
191.06992	3.9
191.14275	4.3
191.17949	3.3
192.06570	18.9
195.11978	3.4
195.13820	65.6
201.12811	3.7
201.16318	2.3
209.08157	3.5
219.13890	10.1
219.17314	8.0
237.07440	3.5
237.12889	4.1
237.14833	100.0
237.18547	6.6
237.22116	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	237.0871
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
51.02378	0.2
53.03928	0.4
55.01865	0.2
55.05497	0.7
56.96571	2.6
57.03436	0.6
57.07074	0.4
59.04984	0.2
61.02929	0.5
67.05487	0.5
69.03429	1.5
69.07054	0.6
69.97836	1.1
70.06590	0.3
71.01356	0.2
71.04997	0.4
72.08155	3.4
73.02911	0.6
74.02444	5.8
79.01847	0.6
79.05480	0.5
81.03411	0.9
81.07046	0.9
82.05305	0.2
83.04970	0.6
83.08605	0.5
85.02903	1.4
91.05476	1.0
93.07041	0.6
94.06568	0.4
95.04967	0.5
95.08597	0.6
97.02905	1.9
97.06506	0.3
98.20794	0.3
98.21370	0.5
98.97589	1.5
99.04459	0.4
100.02448	0.3
101.00878	0.3
105.07034	0.3
107.04935	0.3
107.08602	0.5
109.02859	0.4
109.06480	0.3
110.07154	0.6
110.97591	0.3
113.06065	0.3
115.02447	0.2
116.98595	1.0
118.06535	2.0
119.01931	1.2
121.01725	0.2
121.10138	0.4
125.02402	0.5
127.03925	0.5
128.04959	3.5
128.98624	0.4
130.06520	0.9
131.01923	0.5
132.04379	1.0
133.03496	0.2
134.06012	0.4
134.99614	0.4
136.93056	0.5
137.00780	0.2
137.06029	0.3
143.01878	0.4
143.03409	0.2
145.03503	0.4
146.06012	100.0
146.99626	0.3
147.04399	0.3
147.06326	1.1
148.03915	1.3
148.07617	1.1
149.05896	0.2
152.07068	0.3
153.01830	5.3
153.02907	0.3
154.02174	0.4
154.94179	0.8
155.01892	0.5
158.06030	0.9
158.99696	0.4
161.02953	0.6
163.07483	0.3
166.06146	0.2
166.08685	0.2
170.99750	0.2
172.95235	2.5
173.02956	0.5
173.07137	0.8
174.05531	0.4
174.12799	0.7
175.08710	0.5
177.00620	0.4
177.04187	0.2
180.06561	0.6
181.03467	0.3
183.05002	0.3
185.02913	0.4
189.00754	0.4
190.96309	0.9
191.02135	0.2
191.08195	1.5
192.06528	1.7
195.01482	0.3
195.05130	0.2
197.02933	0.4
199.04543	0.4
203.04019	0.4
208.05977	0.6
213.00641	0.3
213.02490	0.3
213.06224	0.3
213.94078	0.2
214.05663	0.4
219.05391	0.3
219.07718	2.3
219.13852	0.4
220.13403	0.7
228.07385	0.3
237.02658	0.7
237.06303	0.4
237.08740	6.3
237.13316	0.4
237.22115	0.9
245.05194	0.3
255.03630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.113
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
53.03958	0.9
55.05518	2.9
56.96561	6.5
57.03438	0.9
57.07075	5.5
58.02945	0.5
58.07418	0.6
59.04997	3.1
60.04526	42.1
61.02930	0.5
65.03938	0.5
67.05502	6.0
69.03429	2.3
69.07066	3.0
70.02951	0.9
70.06592	0.7
70.17731	2.0
71.04990	0.8
72.08151	1.1
73.02913	1.5
73.06551	1.2
79.01854	1.6
79.05482	0.6
79.64291	0.6
81.03415	1.5
81.07072	1.1
83.04990	1.1
84.08129	0.6
84.96045	0.8
85.02917	3.2
85.06544	7.9
86.02437	4.5
86.09696	0.8
87.08111	0.8
88.03994	1.7
91.03368	0.5
91.05465	0.5
95.04969	8.1
97.02907	2.9
98.02422	1.1
98.21117	1.1
98.97585	7.0
102.05550	0.9
103.07584	5.4
104.03483	0.6
105.33611	0.5
106.05029	100.0
107.01315	0.5
108.04484	0.7
110.97595	0.7
112.07552	0.7
113.05993	0.5
116.03442	3.4
116.98647	3.2
118.06493	0.5
119.01823	1.1
125.02305	0.6
126.09151	1.1
127.03915	1.0
128.02310	0.6
128.98593	1.7
130.08594	1.0
132.02893	4.4
134.05978	0.7
134.99635	1.5
138.76073	0.6
143.00160	0.5
143.03357	1.6
146.04083	1.0
146.06007	2.7
146.99638	1.3
147.03238	1.0
153.01839	13.3
153.02974	1.2
154.02151	1.5
154.08629	4.5
155.04651	11.7
155.54866	1.0
158.04463	1.1
158.99644	2.6
161.04839	0.8
164.05197	3.5
165.04332	0.8
166.55496	0.7
167.07033	0.9
171.01384	0.7
172.09700	2.7
174.11255	1.2
176.05562	3.3
176.07062	0.5
177.00734	2.8
180.10982	1.6
186.04384	0.7
189.00606	0.7
189.04204	0.6
190.10802	2.8
191.05693	1.4
194.02986	0.5
200.09183	7.0
204.05403	0.8
212.04410	0.6
218.06389	1.3
218.08173	0.6
218.10223	12.3
219.01656	1.5
227.06828	2.8
236.07256	2.3
236.09402	1.3
236.11259	21.6
236.17241	5.8
237.02765	2.5
237.08762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01866	2.0
55.05519	0.7
56.02620	0.5
56.05033	1.1
56.96567	0.8
57.03445	4.1
58.06607	3.2
59.04995	1.5
60.04514	1.9
61.02937	3.2
67.05498	1.0
68.05016	1.8
69.03436	7.8
69.48730	4.2
70.06588	1.5
71.04996	7.1
72.04523	4.9
73.02924	6.1
74.06094	0.7
79.01852	1.0
80.05004	2.2
81.03432	3.3
83.04998	0.7
84.04504	3.6
84.08132	0.6
85.02908	15.4
85.06555	1.0
86.03232	0.8
86.06071	19.7
87.04461	2.4
88.07642	1.1
91.03964	0.8
94.06574	2.7
95.03480	1.5
95.04977	0.6
96.04477	1.4
97.02904	7.5
98.06019	1.4
98.97594	2.3
99.04454	2.3
100.07632	0.8
101.00883	1.4
101.03441	1.0
102.05547	7.8
103.02445	0.9
106.05059	1.3
109.02856	2.7
110.03963	1.9
112.07605	2.9
114.05515	1.6
115.02441	1.1
115.06324	0.7
116.03941	0.8
116.07080	1.1
116.98663	0.6
117.04000	1.5
119.01910	3.3
120.02068	1.0
121.01694	0.5
122.06042	2.7
124.07616	0.7
125.04479	1.1
126.05509	1.4
126.09146	0.8
127.03930	3.0
128.07088	0.9
129.03955	1.9
130.08635	2.5
131.01895	1.6
131.52301	0.6
132.06589	2.8
133.03471	1.5
134.05995	0.6
135.05008	0.6
137.04437	0.7
138.03319	0.6
138.05486	1.0
140.02356	0.7
140.07071	2.8
143.01897	1.8
143.03464	0.8
144.06561	7.7
145.01688	0.8
145.03490	1.0
145.04962	1.3
146.05006	17.5
146.06020	1.0
146.08191	0.7
146.55075	2.6
147.05045	11.8
148.05008	0.8
148.06108	1.2
149.04726	0.9
150.05455	0.6
153.01836	4.4
153.03998	0.6
154.04855	0.7
155.01894	0.8
155.05580	13.3
155.55647	2.3
155.59102	0.6
156.06592	1.0
157.03479	0.9
158.08142	72.2
158.26791	0.5
158.99683	0.8
159.05084	0.8
161.02937	0.9
161.05588	0.9
163.04514	0.7
164.05173	0.7
165.06120	3.8
166.56380	1.0
168.06592	1.4
171.01299	0.9
171.05046	1.9
172.09718	2.4
173.02927	1.1
176.09174	0.9
182.08157	1.5
183.04904	0.9
185.02982	0.6
186.07634	3.6
187.04475	0.7
189.06082	9.7
190.06203	0.8
190.10774	6.9
200.09216	2.8
201.06032	3.2
203.04050	1.2
204.08685	21.4
213.06110	1.2
218.10252	100.0
219.10643	1.3
221.05057	1.2
223.48317	0.7
231.01212	0.6
231.07106	1.5
236.07437	1.0
236.11317	26.0
236.14859	6.7
245.05234	0.7
259.06485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Rishitinol
Peak:m/z	Relative Intensity
55.01862	5.8
55.05513	11.9
57.03424	2.1
57.07078	24.5
59.05016	3.1
61.02922	11.0
67.05513	19.3
69.03425	3.8
69.06780	2.2
69.07077	28.2
70.63563	6.2
71.04997	22.0
77.90000	1.9
79.05495	15.2
81.03430	4.9
81.07059	66.1
83.04970	3.6
83.08620	4.9
85.06543	9.7
86.09682	6.6
91.05479	30.7
93.07052	31.2
95.04959	6.0
95.08612	34.0
97.06528	5.7
98.20882	2.6
98.21451	2.8
99.04440	3.0
105.06384	3.6
105.07040	59.1
107.04953	4.0
107.08607	52.4
109.06532	27.2
109.10161	32.5
111.08080	7.2
115.05460	6.4
117.07031	16.7
119.08591	70.8
121.06481	5.2
121.10149	25.8
123.04430	2.5
123.08051	8.6
123.11691	4.0
125.09628	6.7
127.07517	5.4
128.06250	3.7
129.06987	8.7
130.07726	2.8
130.74721	1.8
131.08571	30.7
133.06425	3.2
133.10135	52.9
135.08034	7.4
135.11702	13.4
137.09618	17.2
141.06972	2.9
142.07764	16.0
143.08559	18.9
144.09354	5.1
145.06487	8.4
145.10109	8.6
147.08090	12.8
147.11668	19.6
149.09618	5.8
149.13286	4.2
151.11105	2.4
156.09326	9.9
157.10132	71.4
159.11693	57.2
161.06017	3.3
161.09644	14.5
161.13231	6.4
165.12772	8.8
171.11702	25.8
173.05977	7.5
173.13254	31.1
175.07558	4.6
175.11247	15.4
175.14825	97.2
177.12738	17.3
179.06982	2.3
179.10672	15.5
184.12523	2.5
189.16428	14.8
190.06325	4.6
191.14229	4.3
193.15860	3.4
199.14830	59.6
205.08559	3.2
207.10056	3.1
217.15903	81.9
217.19389	3.0
235.07715	3.0
235.09663	8.8
235.13235	4.6
235.16937	100.0
235.20670	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	236.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.7
55.01871	2.6
55.05518	11.7
56.96567	23.6
57.03426	3.6
57.07078	8.3
57.72950	0.9
59.04992	4.5
60.04529	43.3
61.02922	3.7
67.05514	7.0
69.03423	7.9
69.07070	3.4
69.97663	2.4
69.98058	2.5
70.06601	1.5
71.04997	1.7
72.08155	2.2
73.02924	6.1
73.06561	10.6
78.89707	1.2
79.01845	4.5
79.05491	1.2
81.03436	3.7
81.47489	1.2
83.01296	1.2
83.04993	2.9
84.08146	1.8
84.96040	1.6
85.02914	12.5
85.06519	5.9
86.02424	3.7
86.09698	1.6
87.08079	1.2
88.04011	2.1
95.04971	8.6
97.02890	13.9
98.02422	1.6
98.21208	3.2
98.97588	31.7
99.04407	1.6
100.07692	1.1
102.05562	2.6
102.96906	1.2
103.07560	5.5
105.03446	1.3
106.05032	100.0
107.01321	1.6
107.04911	1.7
108.06303	1.1
109.02911	3.6
110.97585	4.4
111.03860	1.4
116.03436	3.8
116.98624	19.5
117.03873	1.3
118.06645	1.1
119.01847	4.5
125.02335	3.5
126.09132	1.2
127.03938	4.2
128.02303	3.0
128.98648	6.3
129.02254	2.4
131.00183	2.6
131.01906	2.6
132.02898	5.6
134.99649	6.0
136.07585	1.3
137.06007	2.5
140.98608	1.8
143.00189	2.1
143.03336	5.9
144.98099	1.6
146.04205	5.3
146.05994	16.9
146.99672	3.7
147.03300	3.3
151.35837	1.3
152.02328	1.9
153.01833	56.5
153.02852	2.6
154.02190	4.3
154.08661	4.6
155.02797	2.6
155.04651	66.9
155.54865	5.2
158.04541	1.6
158.99660	13.1
159.99994	1.3
161.01190	2.1
161.02866	2.1
162.05484	5.3
163.02727	2.1
164.05168	16.2
164.55429	2.5
165.04376	4.1
166.55414	7.1
167.07060	2.8
170.99696	2.3
171.01407	2.7
171.05965	1.3
172.09741	2.5
174.11305	2.6
175.02760	2.3
176.05534	3.0
177.00687	12.9
177.04187	1.2
180.11113	1.9
182.03375	2.7
182.05109	1.4
183.05182	1.4
189.00800	2.1
189.02458	1.8
189.04301	2.0
191.04053	2.3
191.05731	6.3
200.09190	6.3
201.00755	2.1
203.05763	1.1
206.06221	2.6
213.00638	1.5
213.02502	2.1
218.06453	4.8
218.08244	1.9
218.10173	11.5
219.01746	6.1
227.06792	21.3
227.57063	2.5
230.98009	1.6
231.01642	1.4
236.05081	2.2
236.07315	11.6
236.09293	2.5
236.11221	20.9
236.17259	12.3
236.20815	1.5
237.02838	8.9
237.08606	2.6
255.03677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	3.0
55.05518	12.1
57.07074	20.8
58.56592	2.3
59.04982	3.0
61.02913	6.9
65.50086	1.9
66.14876	2.3
67.05509	25.0
68.29910	2.2
69.03420	2.8
69.06776	2.3
69.07075	27.6
70.63338	5.0
70.63684	3.5
71.05000	23.5
79.05499	19.4
81.07062	63.3
83.08614	3.7
85.06535	9.0
86.09689	6.9
91.05482	27.6
93.07047	32.2
95.04980	5.8
95.08607	40.4
97.06504	2.9
98.21288	3.1
99.08073	2.9
105.07040	61.6
105.07752	2.9
107.04953	3.6
107.08603	51.4
107.25957	2.2
109.06526	26.6
109.10153	29.0
111.08085	5.1
115.05460	5.5
117.07038	11.4
119.05030	1.9
119.08587	79.0
121.06502	5.4
121.10146	22.4
123.08084	13.8
123.11671	3.9
125.09615	5.0
127.07573	3.6
128.06227	4.7
129.06993	8.4
131.08585	24.8
133.06470	4.8
133.10143	49.2
135.08058	6.7
135.11714	10.3
137.09625	19.7
141.06953	3.1
142.07831	14.9
143.08580	21.0
144.09361	7.2
145.06499	7.0
145.10114	12.4
147.08037	9.5
147.11697	24.0
149.09616	4.7
149.13217	3.0
151.11209	3.1
155.08569	2.7
155.16939	2.4
156.09331	6.7
157.10139	68.2
158.10881	3.9
159.11702	55.2
161.09634	12.1
161.13257	7.3
165.09123	3.1
165.12755	8.3
169.10223	3.2
170.10898	6.0
171.11719	26.8
173.06065	3.6
173.13255	25.5
175.07533	8.8
175.11276	19.1
175.14839	100.0
177.12741	14.2
179.10628	15.5
184.12566	3.3
189.12819	5.3
189.16422	21.4
190.06296	3.8
191.14322	6.3
193.15907	3.2
199.14841	60.8
207.17387	3.7
212.36945	2.3
213.59421	2.4
217.15901	79.9
217.19264	3.4
235.09532	11.4
235.13217	5.6
235.16934	95.5
235.20683	6.5
258.54651	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	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.70061	1.4
53.84409	1.5
55.05514	10.5
57.06817	2.2
57.07080	25.4
59.04995	3.0
65.03932	3.0
67.05511	18.0
69.03416	2.1
69.07076	15.2
71.04993	20.9
71.57706	2.0
72.93308	1.5
72.93779	1.6
79.05500	12.3
81.03410	3.3
81.07063	26.5
83.04981	3.7
83.08637	4.5
85.06525	2.9
86.09702	6.0
87.08084	1.9
89.06036	4.4
91.05484	15.6
93.07052	25.5
95.04982	10.4
95.08612	27.8
97.06548	4.4
97.10202	2.7
98.21185	1.9
99.08092	3.2
103.05518	2.5
104.82230	1.6
105.07037	39.5
107.04948	3.8
107.08601	49.9
109.06512	9.4
109.10168	29.3
111.08093	14.5
115.05473	6.5
117.07033	6.4
119.08589	36.6
121.06523	5.4
121.10159	21.2
123.08077	7.9
123.11730	4.9
125.06026	1.8
125.09638	25.0
126.41854	1.8
129.07054	3.4
129.97008	1.7
131.08571	12.4
133.06490	2.0
133.10141	24.4
135.08084	3.4
135.11703	17.1
137.09613	3.8
137.13216	1.7
143.08563	4.6
145.06526	4.4
145.10144	17.2
147.08064	10.3
147.11700	56.9
149.09593	3.5
149.13264	6.1
151.11250	2.6
153.09065	2.1
153.12723	3.7
155.67589	1.6
157.06485	2.5
157.10132	8.4
159.11768	8.4
160.05112	1.8
161.05969	2.9
161.09636	6.3
161.13350	8.7
163.11206	3.5
165.09091	3.8
165.12769	5.7
171.11679	1.8
173.05971	3.5
173.13205	7.7
173.70404	1.6
175.07556	5.8
175.11208	9.5
175.14832	12.5
177.12863	1.8
179.10693	15.6
185.64833	1.9
189.16406	32.9
190.06261	3.0
191.06929	1.8
191.14349	1.8
193.15889	4.9
199.14859	4.5
203.06973	3.2
205.08522	2.1
207.10146	3.3
217.08694	3.3
217.12482	3.7
217.15898	30.6
217.19484	3.1
235.05832	3.8
235.07706	2.8
235.09467	10.2
235.13210	3.6
235.16943	100.0
235.20682	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	235.1693
Annotation	Sesquichamaenol
Peak:m/z	Relative Intensity
55.05504	1.9
57.07082	17.8
58.00581	1.4
67.05498	4.3
69.07069	2.9
69.49575	11.4
71.05000	51.7
81.07065	4.9
86.09710	9.2
91.05479	4.5
93.07059	4.7
95.04961	2.3
95.08620	5.0
98.21015	5.7
105.07048	6.4
107.04964	2.3
107.08596	3.3
109.06537	2.6
109.10166	2.9
119.08588	5.4
121.06484	4.3
121.10168	2.2
121.96825	2.0
123.04456	3.9
127.11203	100.0
131.08600	3.5
133.10141	7.6
135.08125	2.7
135.11714	2.4
151.07573	1.7
157.10075	2.8
159.11629	2.8
161.09610	8.4
164.12814	1.5
173.13249	3.3
175.11243	2.1
175.14824	4.1
179.10718	11.2
189.16364	2.2
193.15950	3.2
215.98576	1.3
217.15930	6.0
217.19463	1.5
235.13196	3.4
235.16914	44.9
235.20520	2.3
245.36264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03933	2.3
55.01854	2.7
55.05515	8.4
57.06822	1.4
57.07080	19.4
59.04988	2.7
65.03931	0.9
67.05508	12.0
69.03410	3.7
69.07069	10.9
69.92406	4.6
71.04975	4.2
73.02906	1.0
79.05503	16.7
79.05952	1.8
81.03390	1.8
81.07059	17.9
83.04980	3.2
83.08616	5.2
85.06537	3.7
86.09724	5.5
88.62344	1.0
91.05486	17.3
93.07045	19.3
95.04965	6.9
95.08051	1.2
95.08609	18.7
97.06515	4.5
97.10159	1.2
98.21304	1.8
102.87057	1.0
103.05489	1.3
105.06385	1.6
105.07036	25.1
107.04936	1.8
107.08603	29.6
109.06532	7.7
109.10166	11.7
111.08087	4.4
115.05440	1.4
117.07032	5.4
119.08585	68.7
120.08855	1.0
121.06519	2.5
121.10144	18.2
123.04441	2.9
123.08044	5.1
123.11714	4.6
125.09634	1.0
128.06232	2.6
129.06984	3.7
131.08574	14.9
133.06476	2.9
133.10138	39.8
135.08066	14.5
135.11688	6.7
137.09645	7.7
142.07823	2.3
143.08583	9.2
144.09331	1.3
145.06445	2.1
145.10120	11.9
146.07277	2.4
147.08038	6.7
147.11688	16.3
149.09587	2.3
149.13248	2.8
151.11172	6.2
156.09367	2.5
157.10167	12.3
158.10907	2.8
159.11703	10.5
160.12486	1.0
161.09628	27.2
161.13245	3.7
169.10147	1.5
171.11691	7.0
173.06050	1.8
173.13301	15.9
174.10388	0.9
175.07539	1.0
175.11197	11.0
175.14815	17.0
177.12790	6.5
179.10681	16.4
184.12500	1.7
187.11163	2.9
187.14824	3.1
189.12750	3.2
189.16399	19.4
191.14386	2.4
192.09392	1.2
193.12195	1.4
193.15842	3.0
199.14806	11.2
215.52567	1.2
217.15887	74.9
217.19293	2.1
235.07648	1.4
235.09497	2.2
235.13158	3.4
235.16927	100.0
235.20688	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.00283	0.9
53.03944	1.9
55.01871	7.0
55.05510	7.9
57.03419	2.5
57.07078	25.3
58.07879	0.8
59.04980	0.8
59.62161	0.7
67.05509	11.9
68.80616	0.7
69.03426	4.1
69.07056	3.3
69.34061	6.9
70.69600	0.8
71.04993	6.1
73.02927	1.2
73.06548	1.9
79.05502	13.7
81.03407	2.2
81.07063	10.8
83.04974	3.3
83.08607	1.0
85.02884	3.4
85.06549	1.5
86.09720	6.2
87.04478	1.0
91.05484	26.4
93.07050	18.2
95.04971	7.0
95.08610	6.3
97.02889	2.0
97.06515	2.2
98.21234	3.0
98.48728	0.8
99.04485	0.8
103.05450	3.0
104.21103	0.8
105.03410	1.0
105.07035	41.1
107.04962	6.5
107.08598	10.7
109.02908	1.1
109.06517	6.1
109.10139	2.7
111.08119	1.3
115.05430	4.6
116.06249	1.2
117.07016	11.1
119.04906	2.4
119.08589	26.1
121.02842	0.9
121.06512	10.5
121.10169	4.1
123.04443	2.8
123.08082	3.7
125.09586	0.9
127.03915	1.1
128.06213	4.6
129.07008	18.5
130.07774	1.4
131.04927	1.8
131.07700	1.2
131.08583	14.1
133.06502	18.3
133.10135	34.5
134.07289	1.1
134.10492	1.1
135.08058	8.2
135.11723	1.3
136.06192	8.1
136.12584	0.8
137.05742	1.5
137.06517	4.8
137.09601	3.1
139.03851	0.9
139.07486	1.2
141.06966	1.6
142.07800	9.3
142.95198	0.9
143.04910	1.7
143.08574	14.0
144.05664	1.9
145.06509	7.7
145.10149	8.5
147.04381	2.8
147.08055	16.0
147.09167	1.1
147.11691	21.8
149.05986	1.1
149.09613	3.4
151.03952	1.5
151.07553	3.7
153.06900	1.0
155.08546	2.6
156.05652	1.6
156.09303	1.9
157.06557	4.5
157.10133	30.8
158.07266	1.2
159.08060	5.3
159.11649	1.7
160.05101	1.1
160.08824	1.6
161.06012	4.0
161.09647	8.9
161.13255	3.2
163.03897	1.3
163.07549	5.9
163.11255	1.9
165.06969	1.3
165.09134	0.9
166.07741	1.0
167.07031	0.8
169.10153	1.0
171.08032	3.8
171.11693	11.9
173.05971	3.9
173.09644	6.5
173.13300	1.1
174.06792	2.2
175.07590	8.3
175.11188	43.6
175.14832	2.3
177.05463	2.7
177.09125	1.9
179.07043	2.8
179.10692	19.5
181.08556	3.2
181.10126	4.1
184.08821	1.4
185.06053	0.9
187.07562	9.3
189.05510	2.2
189.09082	3.3
189.12758	15.3
189.16292	1.1
190.06267	2.2
191.07051	2.8
193.08566	3.5
193.10663	1.0
193.12216	6.3
199.07591	1.2
199.11206	14.5
199.14830	1.8
203.07024	2.3
205.08600	2.3
207.06471	2.7
207.10202	1.9
207.13846	4.2
211.00963	1.1
217.08473	4.6
217.12228	15.8
217.15816	3.4
217.19475	1.8
235.02437	1.6
235.05948	3.5
235.09677	17.8
235.13312	100.0
235.16930	74.5
235.20718	2.8
236.13437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Ethoxyprecocene
Peak:m/z	Relative Intensity
53.03937	1.2
55.01861	2.1
55.05513	2.2
57.03437	0.8
57.07072	8.6
63.60319	0.6
65.03945	1.1
66.04715	0.6
67.05500	5.3
69.03419	1.7
69.07055	2.0
69.46221	1.2
69.46628	3.7
71.04996	1.0
75.16006	0.6
79.05491	14.7
81.03372	0.9
81.07056	66.5
83.01334	2.9
83.04979	1.5
83.08604	1.0
86.09723	3.8
91.05477	6.9
93.07048	5.8
95.04968	2.2
95.08604	7.5
97.06532	1.0
97.46468	0.6
98.20926	2.1
103.05393	0.7
105.07018	3.7
107.04943	0.9
107.08579	1.7
108.05742	0.7
109.06509	2.1
109.10139	2.1
110.39787	0.7
111.04458	0.7
111.08104	0.9
117.07009	2.0
119.08582	9.6
121.06507	3.6
121.10106	1.8
123.04413	1.7
123.08054	11.8
125.05972	1.0
128.06210	0.8
129.06999	1.4
131.08569	1.2
132.05722	1.2
133.06494	1.2
133.10132	2.6
135.08020	1.9
137.05977	2.9
137.09613	2.5
139.07542	8.2
143.08617	0.9
145.10106	0.9
147.08038	16.7
147.11691	1.6
149.05992	1.0
150.06712	0.7
151.07538	100.0
152.07803	0.6
153.05441	4.2
155.07042	8.2
157.06448	0.8
159.11694	1.5
161.05965	1.4
161.09605	1.6
161.13248	0.8
163.07515	1.4
165.05508	1.7
165.09105	15.9
167.07040	68.0
171.11719	1.1
175.07542	22.9
175.10992	0.7
177.05479	2.0
177.12811	0.8
178.06265	4.4
179.07072	6.8
179.10678	7.9
181.08601	3.4
188.08321	0.9
189.09189	1.2
189.12772	2.2
189.16425	1.5
191.07057	3.6
193.08606	29.9
199.71573	0.6
202.09883	0.7
206.09288	1.1
207.10159	8.4
207.13837	1.6
217.08504	0.6
217.12292	3.9
217.15851	1.5
227.05493	0.6
235.13284	96.9
235.16766	17.4
236.13499	0.8
241.32089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61499	0.3
55.05513	0.9
57.03441	2.2
63.40706	0.3
70.06608	0.4
70.70560	0.9
76.04890	0.3
79.05502	1.5
79.82706	0.3
81.07061	4.6
85.26319	0.3
94.04070	1.0
98.21260	0.4
99.08088	0.3
119.03539	2.8
136.06192	100.0
137.04584	1.7
137.06555	0.4
157.42917	0.3
177.05495	0.8
190.10910	2.0
234.13503	62.3
235.13741	0.7
235.16821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01873	3.3
55.05510	15.6
57.03423	2.7
57.07079	16.3
65.03922	3.0
67.05505	46.4
68.52315	0.9
69.07074	11.5
70.17614	4.0
71.04996	9.9
71.08620	2.4
77.03921	1.4
77.94083	1.3
79.05495	88.0
81.03426	5.2
81.07061	46.3
83.04980	2.7
83.08627	7.5
85.06545	16.7
89.99047	0.9
90.51842	1.0
91.05485	45.2
93.07047	100.0
95.04965	12.7
95.08607	31.1
97.06525	6.9
97.10176	3.2
98.20832	1.4
98.21333	1.2
99.08084	4.7
105.04507	3.2
105.07032	29.6
107.04960	8.7
107.08601	58.6
109.06496	4.6
109.10162	12.7
111.08080	5.1
113.09677	1.5
117.07015	15.0
119.08586	21.4
121.06502	4.2
121.10146	45.8
123.08071	2.9
123.11719	7.4
124.29179	1.2
125.09574	1.3
125.31853	1.0
129.06976	3.4
130.07841	1.6
131.08574	25.9
133.10138	18.6
135.08051	4.7
135.11699	46.4
137.09610	3.0
139.03903	4.8
139.11226	1.6
143.08597	1.5
145.10143	19.5
147.11716	13.5
149.09659	5.6
149.13263	17.8
151.11160	2.4
159.11699	18.9
161.13289	5.0
163.03911	2.0
163.11177	1.8
165.12794	1.5
173.13263	15.4
175.14832	2.2
177.05473	1.9
177.12685	2.0
186.14117	1.1
186.54562	1.3
187.14818	5.5
189.16374	3.3
191.14371	1.6
205.19525	5.3
211.44817	1.1
213.16458	1.6
215.06950	1.3
215.14586	1.8
215.17973	44.0
233.08017	1.4
233.11606	7.5
233.15561	7.2
233.19014	72.9
234.19391	1.1
244.50450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.05509	14.1
57.03433	3.8
57.07073	12.6
57.43007	3.6
65.03946	4.5
65.37638	5.2
67.05509	56.6
67.38963	3.5
69.07070	12.8
69.75413	23.4
71.04985	5.3
79.05060	6.8
79.05495	94.1
81.07055	45.7
83.08614	4.9
85.06543	12.6
91.05481	54.6
93.07053	100.0
95.04983	20.2
95.08617	33.8
97.06567	8.1
98.21012	12.4
103.05443	3.9
105.07056	25.0
107.04955	8.8
107.08604	63.9
107.98427	4.2
109.06529	7.6
109.10159	14.7
113.09645	3.8
117.07006	10.5
119.04943	5.3
119.08586	21.9
121.06477	4.9
121.10162	53.4
123.11714	11.4
125.76575	3.8
129.07042	5.1
131.08592	36.2
133.10123	19.5
133.58107	3.8
135.08028	5.4
135.11693	52.5
139.03949	4.7
141.05457	6.9
145.10120	21.6
147.11655	12.9
149.09569	9.2
149.13257	14.7
151.07559	6.2
153.05475	74.0
155.08577	6.5
159.08083	5.1
159.11711	25.6
159.99889	4.1
163.03918	7.9
163.11252	4.3
167.07013	11.5
173.09630	15.0
173.13214	22.6
174.26122	3.8
177.05418	10.2
178.06270	4.3
187.14726	5.1
191.07024	9.7
205.08672	12.5
205.12286	7.3
215.07127	4.8
215.10759	5.0
215.14456	7.3
215.17952	34.5
222.35098	4.5
233.08026	4.7
233.11726	71.7
233.15395	13.4
233.19006	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23771	2.9
53.03963	4.9
55.05500	13.8
57.07076	15.2
67.05508	51.5
67.50957	3.0
69.07069	12.2
69.41145	10.6
69.41569	14.8
71.05007	7.3
78.82040	3.0
79.05497	83.2
81.07059	42.9
83.08624	8.8
85.06544	12.8
91.05485	43.3
93.07051	100.0
95.04960	13.0
95.08611	35.4
97.06551	6.1
98.21369	10.3
99.08126	3.8
103.05447	4.1
105.07032	32.2
107.08586	55.6
109.10152	13.9
111.08051	5.7
117.07053	15.2
119.08595	15.7
121.10143	46.3
123.08074	3.5
123.11703	7.0
125.09622	6.5
131.08583	27.4
133.06534	6.2
133.10143	22.3
135.08080	4.7
135.11699	52.6
137.09663	3.4
145.10135	20.1
147.11702	15.4
149.09572	5.3
149.13214	19.7
153.05476	7.9
155.08505	5.8
159.11705	14.7
161.13225	4.9
173.09601	4.0
173.13286	18.3
177.05449	7.9
177.12654	4.6
189.16496	4.2
191.07033	4.3
191.10669	3.6
191.14453	4.5
205.19601	3.7
215.17955	41.4
233.08037	7.0
233.11642	24.1
233.15398	10.9
233.19012	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
52.23851	1.8
52.33282	1.9
53.03933	4.4
55.05517	14.6
57.07076	21.6
60.11536	1.7
65.03931	2.8
67.05178	3.0
67.05508	48.9
69.07065	10.4
70.89180	2.4
70.89523	2.8
71.04977	8.3
71.08633	2.1
79.05496	94.2
81.07060	48.8
83.08608	8.0
85.06544	20.6
85.97598	1.9
88.75098	1.7
91.04903	2.1
91.05477	43.4
93.07047	100.0
95.04962	11.9
95.08619	28.4
97.06516	9.9
97.10126	2.3
98.21263	2.6
98.99419	1.6
99.08083	3.3
105.07034	23.2
107.08599	56.3
109.06519	5.0
109.10161	13.1
111.08092	5.0
113.09661	1.8
117.07040	12.0
119.08595	20.3
121.10147	45.4
123.08091	3.1
123.11733	8.6
125.09612	2.9
131.08572	24.4
133.10141	23.4
135.08034	3.8
135.11697	66.8
137.13182	2.2
139.03902	3.9
145.10117	24.1
147.11678	14.8
149.09627	5.8
149.13274	21.7
151.11206	4.5
159.11693	18.9
161.13271	4.9
163.11246	3.5
173.13280	12.2
177.05434	2.5
187.14830	5.5
189.16364	3.6
196.66893	2.1
205.19548	6.2
215.17955	48.2
233.11723	6.6
233.19014	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03934	6.3
55.05520	16.5
57.03443	2.7
57.07077	14.3
67.05172	3.0
67.05507	44.8
69.07078	10.8
69.82916	10.4
69.83292	3.8
71.04978	7.4
76.46761	2.0
78.96390	1.8
79.05491	85.3
81.07050	45.3
83.08611	7.3
85.06534	8.4
86.58044	2.0
91.05479	42.0
93.07046	100.0
95.04960	10.9
95.08613	25.2
97.06529	3.2
97.10162	2.8
98.20705	2.7
98.21251	5.3
99.08075	3.1
105.04517	2.5
105.07031	31.8
107.08595	61.7
109.06506	4.6
109.10158	16.2
111.08089	4.5
115.05433	2.2
116.06078	2.2
117.06997	12.4
119.08571	18.9
121.09299	4.0
121.10147	46.4
123.08035	4.0
123.11712	6.9
125.09621	2.7
131.08586	26.7
133.10123	22.0
135.07942	3.3
135.11702	45.3
139.11252	3.2
145.10115	23.0
147.11691	12.3
149.09642	3.7
149.13261	15.9
151.07555	7.6
151.11131	3.1
155.08496	2.2
159.11700	15.9
161.13271	3.8
173.09610	4.2
173.13228	15.6
187.14861	2.5
189.16316	4.0
205.08563	3.5
205.12245	2.6
205.19472	2.8
213.39322	2.4
215.14626	2.4
215.17941	39.9
233.08028	2.7
233.11705	17.7
233.15356	3.9
233.19022	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.01889	2.5
55.05518	17.7
57.07075	16.8
60.46746	2.6
65.03934	3.9
67.05513	45.4
69.07065	12.5
69.57776	14.9
71.04998	10.2
77.29987	2.7
79.05496	91.9
81.07061	51.6
83.08606	7.6
85.06544	12.5
91.05486	44.5
93.07050	100.0
95.04978	9.0
95.08619	31.5
97.06509	5.7
97.10188	3.4
98.21358	5.1
99.08067	4.1
105.07043	29.6
106.43896	2.8
107.07867	4.2
107.08598	73.3
109.06530	6.5
109.10143	17.9
117.06998	15.0
119.08582	21.5
121.10149	57.0
123.08045	4.9
123.11690	10.0
129.06966	3.2
131.08569	24.4
133.10147	23.5
135.08174	3.2
135.11708	52.0
137.05968	4.5
145.10146	22.9
147.11723	13.4
149.09651	4.3
149.13271	18.4
153.05470	8.3
159.11722	15.8
161.13298	4.4
163.11220	4.4
173.13248	11.8
189.16362	3.8
205.19620	3.3
215.17961	48.6
233.11632	14.8
233.15353	8.1
233.19025	73.7
237.92213	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.15089	0.8
50.88522	0.8
53.03955	1.3
54.59492	0.8
55.01864	2.2
55.05524	6.4
56.96556	2.9
57.03433	1.4
57.07061	2.5
59.05000	5.3
62.67889	0.8
64.58559	0.9
65.03916	1.3
67.05210	1.1
67.05507	10.7
69.03084	0.8
69.03436	14.6
69.07076	9.3
71.04995	5.0
71.45623	1.3
71.45964	1.0
71.79714	0.9
73.67104	0.9
79.05134	0.9
79.05505	12.8
81.03400	2.4
81.07059	22.0
83.04969	4.6
83.08618	2.9
85.02914	1.1
85.06548	2.2
87.04448	2.9
91.04902	1.1
91.05480	21.0
92.06271	1.2
93.07050	28.0
95.04974	10.5
95.08610	17.4
97.06533	6.2
98.80407	0.8
99.04442	3.6
103.05455	2.9
105.07035	31.7
107.04938	4.0
107.08598	23.3
109.06523	5.1
109.10154	6.0
111.04392	1.2
111.08077	3.2
113.05968	1.1
115.05463	7.6
116.06252	4.2
117.07023	13.3
119.04929	3.5
119.08585	50.1
121.06511	12.4
121.10152	20.4
123.08094	4.2
123.11686	1.6
125.02379	1.1
125.06052	1.0
127.03837	0.9
128.06207	3.6
129.06995	6.7
130.07782	3.8
131.04907	2.4
131.08572	24.8
133.06502	1.9
133.10138	22.8
134.10922	15.2
135.04405	2.1
135.08069	13.4
135.11710	6.5
137.09610	2.8
139.07549	1.9
141.06995	2.1
142.07759	1.5
143.08595	6.5
144.05707	4.3
144.09329	3.4
145.06491	11.8
145.10130	36.4
145.11282	2.0
147.04391	2.6
147.08046	3.8
147.11691	7.4
149.05914	1.0
149.09602	4.9
149.13242	2.0
153.06938	0.9
154.07814	1.0
155.06018	2.1
155.08548	5.0
156.09337	2.4
157.06517	1.4
157.10101	5.5
158.07295	4.7
158.10934	1.5
159.04430	1.7
159.08057	9.0
159.11694	29.0
160.05350	1.1
161.05995	3.2
161.09590	3.3
161.13237	3.4
163.07515	2.7
163.11177	7.6
163.14822	1.9
165.09175	1.2
167.08508	1.9
169.10179	4.7
171.08014	1.1
171.11707	3.7
172.05200	14.4
172.08846	3.1
172.12389	1.6
173.05957	3.8
173.09631	25.6
173.13261	8.2
174.06789	2.2
175.07526	1.4
175.11153	4.7
177.05495	1.3
177.09151	4.4
177.12775	2.3
177.16376	4.2
182.10898	2.4
185.09503	1.1
187.07549	3.2
187.11224	13.5
187.14812	25.0
189.05385	1.3
189.09077	1.2
189.12764	3.9
189.16432	0.9
190.06255	1.7
191.03365	0.9
191.07027	1.7
191.10690	3.6
191.14320	2.1
197.09615	2.1
197.13257	10.7
200.04625	5.4
201.05466	1.8
201.09039	2.0
203.07079	1.1
205.04869	1.8
205.06691	1.5
205.08549	8.0
205.12218	2.4
205.15869	9.0
215.07036	2.7
215.10779	10.6
215.14323	27.1
215.17938	3.3
218.05728	5.1
233.04320	2.4
233.05864	1.3
233.08084	36.2
233.11812	13.5
233.15364	100.0
233.18692	6.3
234.15822	1.4
251.09523	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	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03940	2.8
55.01868	2.2
55.05508	10.8
57.03441	2.2
57.07063	5.0
65.03920	1.8
67.05215	1.8
67.05510	18.3
69.03424	11.0
69.07073	14.3
71.04981	5.9
71.56668	2.0
77.03912	1.9
78.56919	1.3
79.05493	23.6
81.03410	2.7
81.07059	22.0
83.04964	6.2
83.08600	8.6
85.06548	2.2
91.05483	37.8
93.07043	36.3
95.04974	15.0
95.08037	2.6
95.08605	31.1
97.02888	2.5
97.06508	6.0
98.97590	1.9
99.04428	3.6
103.05463	5.7
105.07037	55.5
107.04940	5.2
107.08601	29.6
109.02863	2.4
109.06518	14.0
109.10169	14.5
111.04473	9.0
111.08050	4.0
113.06024	5.1
115.05447	12.0
116.06206	4.5
117.07018	20.9
119.04932	6.2
119.08588	52.0
120.08064	1.6
121.06513	19.3
121.10146	30.9
123.08065	7.2
123.11713	7.4
125.06009	3.8
125.09636	2.6
127.05462	1.6
128.06235	9.2
129.07014	12.4
130.07797	11.9
131.04932	8.6
131.08571	40.6
133.06487	4.5
133.10136	41.1
134.10892	4.2
135.04443	2.4
135.08047	12.5
135.11716	10.5
137.06052	3.6
137.09583	6.7
139.07556	3.9
141.06967	3.7
142.07785	2.7
143.08560	20.0
144.05682	6.4
144.09337	4.3
145.06473	21.2
145.10127	87.9
147.08060	8.9
147.11685	15.6
149.06041	8.7
149.09654	11.0
151.07536	2.3
151.61232	1.4
153.09042	2.0
154.07729	1.9
155.04935	5.1
155.06013	3.7
155.08543	8.7
156.09369	2.2
157.06468	5.1
157.10173	7.6
158.07248	16.4
158.10918	5.5
159.04430	3.1
159.08067	28.3
159.11707	34.0
160.05258	2.1
160.08809	1.5
161.06017	3.1
161.09590	6.8
161.13208	3.7
163.07564	13.3
163.11205	10.9
165.09122	2.6
167.08481	2.7
169.10103	5.0
171.08093	3.3
171.11649	4.9
172.05180	22.5
172.08812	4.7
172.12436	5.5
173.06035	10.7
173.09634	55.9
173.13214	18.4
174.06728	7.4
175.03963	1.9
175.07545	2.7
175.11198	5.9
177.09160	13.9
177.10548	2.3
177.12679	2.0
177.16391	2.2
182.07237	1.6
182.10844	2.5
183.04369	2.6
183.09216	2.4
185.09648	1.6
186.10448	2.8
187.07623	6.6
187.11218	24.2
187.14828	60.3
188.08293	2.6
189.09138	8.1
189.12708	4.3
189.16391	4.0
190.06261	3.6
191.07021	10.8
191.10614	8.5
191.14288	3.0
197.09683	3.0
197.13300	9.8
200.04695	5.5
200.11980	2.6
201.05479	3.1
201.09140	16.7
203.06946	2.7
205.05000	2.8
205.08621	6.1
205.12222	4.1
205.15898	5.0
215.07051	8.1
215.10785	13.8
215.14311	44.1
215.17667	2.6
218.05817	8.2
233.04396	3.3
233.08070	48.9
233.11761	23.4
233.15364	100.0
233.19093	6.2
248.58711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03954	0.6
55.45211	0.4
62.84719	0.5
67.05495	1.6
69.03429	3.7
69.36903	2.9
69.37322	1.4
74.87440	0.6
79.05506	2.5
81.07066	0.9
83.04980	0.9
83.61341	0.5
91.05483	3.8
93.07030	2.5
95.04958	2.0
95.08640	0.7
97.06535	2.4
98.21196	2.3
103.05454	0.6
105.07015	4.6
107.08591	1.7
109.06498	1.3
111.04429	0.9
115.05469	1.2
117.07005	3.0
119.08574	9.5
121.06519	2.0
121.10129	0.6
123.08051	2.5
128.06226	1.6
129.06990	4.4
130.07750	0.7
131.08560	4.4
133.10149	0.9
135.08057	100.0
137.05977	1.6
139.07538	0.8
141.06990	3.1
142.07809	1.0
143.08588	1.5
144.05760	0.9
144.09367	3.6
145.06480	2.2
145.10124	4.1
146.07278	0.5
147.08046	1.5
147.11725	1.3
151.07585	2.9
153.07036	0.6
154.07764	1.8
155.08582	1.8
156.09352	8.0
157.06526	2.5
157.10110	0.9
158.07300	4.1
159.08078	6.4
159.11688	16.3
160.08836	0.6
161.09618	2.2
169.10170	5.1
170.10823	0.9
171.11711	2.8
172.08844	15.9
173.09622	20.6
174.10306	1.4
175.07512	1.7
182.07251	0.8
187.07704	1.3
187.11186	39.8
189.12764	2.4
191.07092	0.8
191.10776	1.0
197.09680	1.1
204.75829	0.5
205.12248	1.3
215.10686	18.9
233.04471	1.4
233.08052	1.8
233.11734	16.6
233.15501	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03944	4.7
55.05500	10.6
56.96555	3.2
57.07071	5.9
67.05508	14.0
69.03427	13.0
69.07058	7.4
69.67533	2.8
71.04984	6.3
71.23496	5.5
79.05489	16.0
81.07056	22.2
83.04968	4.8
83.08612	9.7
85.02919	3.2
85.06499	3.1
91.05483	24.7
93.07046	33.6
95.04955	9.1
95.08621	39.4
97.02845	3.8
97.06502	4.2
98.20972	2.8
98.97598	6.3
103.05434	4.2
105.07047	52.6
107.04912	3.9
107.08609	31.4
109.02861	3.6
109.06511	10.7
109.10151	16.3
109.89752	2.5
111.04435	13.9
113.06037	5.0
115.05463	4.0
117.07021	15.5
119.08585	45.2
120.08065	8.0
121.06539	14.5
121.10165	38.8
122.55943	3.2
123.08054	5.8
123.11671	9.6
125.06005	5.8
128.06207	4.1
128.98634	3.0
129.06970	9.9
130.07797	6.2
131.04968	5.5
131.08585	41.9
133.06496	4.1
133.10133	60.5
134.10855	2.5
135.04381	2.9
135.08040	14.5
135.11665	10.6
136.06181	51.1
137.05980	4.3
137.09569	6.2
139.07550	5.1
142.07758	3.7
143.08554	9.6
144.05701	4.7
144.09322	3.2
145.06483	9.6
145.10120	79.6
145.11267	4.0
147.08061	13.2
147.11690	16.6
149.05949	8.0
149.09587	14.1
151.07524	4.1
154.85899	2.6
155.08594	3.3
156.09306	3.2
157.10120	11.2
158.07278	5.2
158.10945	6.2
159.04439	3.9
159.08058	24.9
159.11702	26.4
161.09663	4.4
161.13251	3.7
163.07504	20.3
171.11690	2.5
172.05173	4.1
172.08780	3.5
172.12454	9.2
173.09607	33.8
173.13246	18.4
177.00813	2.9
177.05476	3.5
177.09116	20.5
182.10895	3.8
186.10396	5.1
187.07579	4.0
187.11243	12.2
187.14830	70.2
189.12776	4.6
189.16418	6.3
191.10681	8.4
197.13245	5.8
205.08560	4.2
205.15887	6.9
215.07011	5.5
215.14317	49.1
233.04471	8.6
233.07997	17.6
233.11716	5.5
233.15361	100.0
234.11411	3.5
234.13522	31.4
239.02628	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	232.1333
Annotation	Leiokinine A
Peak:m/z	Relative Intensity
55.01846	0.3
55.05493	0.4
67.05490	1.0
69.74644	0.3
71.57935	0.6
79.05483	0.9
80.89089	0.4
81.07042	1.1
87.61085	0.4
91.05476	3.8
93.07024	1.2
94.06526	0.5
95.04964	0.5
95.08621	0.5
96.74519	0.4
104.79354	0.3
105.07030	5.7
106.07346	0.4
107.08572	1.4
108.08101	1.0
111.06798	0.4
115.05453	0.5
117.07005	2.6
119.08582	3.7
120.08109	0.6
120.08942	0.5
121.06488	1.1
121.10130	1.0
123.08017	0.4
128.06195	1.6
129.07019	2.7
130.07813	0.9
131.08572	5.3
132.08047	0.5
133.10132	4.6
134.09607	0.5
134.47272	0.3
135.08049	0.6
136.07559	3.7
138.49307	0.4
140.74702	0.3
141.06987	1.1
143.08562	1.6
144.05684	0.4
144.08197	0.5
144.09315	2.6
145.06490	3.2
145.10118	2.9
146.06175	0.4
146.07260	2.5
146.09637	0.6
147.10416	0.7
147.11592	0.8
149.09605	0.8
154.07643	0.6
154.08745	0.5
155.08504	0.4
156.09331	0.8
157.06528	0.4
157.08846	0.7
158.07277	2.1
159.08064	4.4
159.11688	8.2
160.07570	3.8
160.08833	4.5
160.11084	0.5
161.08339	4.0
161.09621	11.4
161.11829	0.4
161.13228	1.5
162.09081	2.7
162.12746	1.6
163.11220	1.9
169.10130	0.9
171.10440	0.8
172.08813	1.8
172.11151	0.7
173.09639	2.7
174.09169	4.5
174.10464	0.6
175.09914	4.2
176.10667	1.7
176.14369	1.8
178.12222	0.4
186.12801	1.8
187.11180	9.2
188.10623	1.6
189.11343	2.9
189.12810	1.4
190.12248	9.2
202.08603	1.2
203.09380	2.0
204.10088	0.7
204.13837	8.1
214.12270	1.4
215.10719	2.8
216.10168	0.5
217.10988	1.3
232.13326	100.0
233.13568	1.2
233.15596	0.7
233.19228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35688	0.6
55.61346	0.6
55.78630	0.5
56.96549	1.5
64.77754	0.6
64.85924	0.6
68.65437	0.7
69.50349	3.0
84.08154	4.7
93.01463	0.8
98.21339	2.0
101.00881	7.0
111.07437	0.5
119.01920	8.7
123.93700	0.6
131.01830	0.7
137.02979	0.8
143.01900	15.1
144.10213	4.0
145.03474	0.8
160.54489	1.4
161.02971	19.5
173.02992	0.9
176.04063	1.3
182.69626	0.6
201.99774	0.6
215.05240	0.8
233.06322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.03942	1.3
55.01872	1.7
55.05520	4.4
56.15652	0.7
57.03442	22.2
57.07077	1.5
63.51630	0.7
65.03934	1.3
67.05173	1.6
67.05508	21.9
69.07070	5.2
69.61817	2.9
69.62220	1.9
71.04995	1.6
78.97916	0.7
79.05051	1.3
79.05492	18.7
81.07062	20.2
83.04956	2.0
83.08610	2.4
85.06551	4.9
91.05484	31.2
93.06476	1.1
93.07050	18.2
95.04971	1.7
95.08045	1.4
95.08611	20.4
97.05232	0.8
97.06496	2.3
97.10177	0.9
98.04834	0.8
98.21180	2.9
99.08089	3.0
103.05472	1.1
105.07040	25.3
107.04975	1.7
107.08595	9.5
109.06528	6.1
109.10159	8.7
111.08083	2.6
112.32622	0.8
115.05443	2.2
117.07019	29.4
119.07791	1.3
119.08595	20.9
121.06499	2.3
121.10143	6.5
123.08052	2.9
123.11707	1.2
128.06194	3.3
129.07024	11.8
130.07764	2.3
131.08574	33.7
133.10139	16.4
135.08095	8.8
135.11725	6.3
137.09628	3.2
142.07774	3.7
143.08583	15.7
144.09351	2.0
145.10127	17.6
147.08069	1.2
147.11693	21.0
149.09624	14.1
149.13240	0.9
149.48241	0.8
156.09366	1.7
157.08945	1.4
157.10149	17.8
159.11700	84.9
161.09691	5.0
161.13263	2.6
162.10320	1.0
163.11163	5.5
169.03528	1.0
169.10165	1.7
171.07996	1.0
171.11708	15.5
173.11943	1.1
173.13280	12.6
175.11230	5.4
175.14835	9.3
183.05034	1.0
184.12491	1.5
185.13295	9.7
187.14832	3.3
189.12759	2.8
189.16454	1.1
202.13419	1.7
203.14377	1.9
203.17979	5.5
213.12883	2.4
213.16405	37.0
231.06444	2.5
231.10159	20.7
231.14128	5.3
231.17447	100.0
231.21165	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	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
55.05514	14.4
57.07081	8.8
65.15381	3.2
67.05500	26.5
69.07072	13.5
71.05012	4.9
71.58297	3.6
74.52460	3.5
79.05496	28.9
81.07049	21.7
81.58080	4.1
83.04987	10.5
83.08630	3.8
85.06553	8.8
91.05477	62.7
93.07037	27.3
95.04966	3.6
95.08598	20.5
97.06524	3.7
98.21086	3.8
103.05474	3.7
105.07037	73.0
107.08621	16.5
109.10191	6.5
117.07034	14.4
119.08580	54.4
121.10168	12.9
128.06303	3.5
129.07027	19.7
131.08575	27.8
133.10135	100.0
135.08093	6.4
135.11714	8.2
142.07780	7.0
143.08600	14.4
145.10095	24.6
147.11699	49.9
149.09688	3.3
157.10103	27.7
159.11739	10.1
161.09697	4.0
161.13226	6.6
163.11243	3.8
171.11694	25.0
173.13370	4.8
175.11232	3.7
175.15033	3.8
185.13252	8.9
187.14931	10.1
189.05367	3.9
189.12753	4.9
203.14441	4.4
203.17982	12.9
213.16370	40.1
216.07832	5.0
231.10123	42.2
231.13869	7.9
231.17433	97.4
231.21040	7.2
231.24951	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	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
51.04521	1.6
53.03950	4.0
55.05508	9.6
57.03429	3.2
57.07063	6.7
67.05222	1.6
67.05508	20.8
69.03383	1.6
69.07066	10.2
69.80367	6.9
69.80781	3.2
71.04991	3.3
71.82761	1.9
72.23317	1.7
79.05496	24.7
81.07053	24.5
83.04971	6.9
83.08618	6.4
85.06532	6.9
91.05482	54.7
93.07047	20.2
95.04948	3.7
95.08616	19.4
97.06501	4.8
98.21163	5.8
99.08101	1.9
105.07032	74.8
107.08591	14.3
108.29268	1.6
109.06536	1.7
109.10148	5.9
110.98801	1.5
111.08037	1.9
111.16982	1.5
115.05441	2.5
117.07034	13.6
118.07755	1.8
119.08585	50.5
121.10184	10.1
128.06221	2.9
129.07007	20.5
130.07790	1.7
131.08562	23.9
133.10136	100.0
135.08054	4.5
135.11690	6.0
137.09525	1.9
142.07780	5.3
143.08594	13.2
145.10129	22.6
147.08044	2.6
147.11694	42.7
149.09627	5.0
157.10129	25.7
159.11708	6.2
161.09650	4.2
161.13252	6.4
163.11191	3.4
170.10922	1.9
171.11700	25.7
173.13284	3.2
175.07472	2.0
175.11186	3.2
175.14856	2.1
184.12402	2.0
185.13269	6.3
187.14882	7.7
189.12657	3.4
189.16336	2.6
203.10640	2.0
203.18010	8.5
213.16385	40.5
231.10184	20.0
231.17442	93.3
231.20955	3.9
233.82228	2.2
254.10970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
51.88686	1.3
53.03930	2.9
55.05507	12.4
56.68431	1.6
57.03450	2.5
57.07080	10.0
59.02796	1.2
59.19387	1.7
65.08162	1.4
67.05506	28.9
69.07076	10.2
69.45949	12.6
71.04987	4.2
79.05498	22.4
81.07062	28.8
83.04979	6.2
83.08606	3.6
85.06557	7.8
91.05489	56.3
93.07040	25.6
95.04996	3.6
95.08605	20.0
97.06514	3.8
97.10172	1.6
98.21019	6.3
98.21588	1.4
99.08138	1.5
103.05466	1.7
105.07035	70.9
107.04945	2.2
107.08606	17.9
109.10170	9.0
111.08044	2.4
115.05445	3.0
117.07008	11.0
119.08584	49.5
121.10153	16.6
123.11684	2.6
124.95049	1.6
128.06221	2.4
129.06989	14.2
131.08571	26.2
133.10135	99.8
135.08043	4.8
135.11691	9.2
142.07718	2.2
143.08562	12.2
145.10126	21.5
147.08078	2.8
147.11694	46.6
149.09619	6.5
149.13237	2.2
157.10104	22.4
159.11746	7.9
161.09628	3.0
161.13258	6.3
163.11276	3.4
171.11700	21.9
172.88007	1.6
173.13289	6.3
175.11229	5.1
175.14880	4.5
185.13284	8.3
187.14824	7.0
188.14496	1.5
189.12669	3.8
189.16362	3.3
190.29475	2.0
203.17879	9.5
213.16386	39.9
215.07060	2.0
217.95795	1.6
231.10155	25.9
231.17462	100.0
231.20934	17.1
233.84787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01851	1.5
55.05513	9.0
56.83130	1.2
57.03432	3.7
57.07067	5.0
65.95417	1.3
67.05172	1.6
67.05507	21.7
69.03425	1.6
69.07078	9.1
71.04996	2.7
71.57776	1.6
75.79050	1.1
79.05498	21.5
79.16702	1.4
81.07053	23.2
83.04983	6.3
83.08615	4.6
85.06539	7.7
89.19486	1.3
91.05481	56.4
93.07040	22.8
95.04955	4.2
95.08614	12.9
97.06538	2.8
97.10169	1.7
99.08072	2.2
100.93204	1.3
103.05443	2.5
105.03397	2.5
105.07036	67.2
107.04942	1.6
107.08597	11.4
109.06477	1.9
109.10122	6.8
111.08064	2.9
111.32703	1.2
115.05430	2.4
117.07011	14.4
119.08580	42.4
121.10149	14.8
123.08069	1.5
128.06165	1.7
129.07013	16.2
130.07768	1.5
131.08566	24.5
133.10135	99.7
135.08055	5.1
135.11682	7.5
142.07802	3.2
143.08566	15.1
145.10115	25.8
147.08005	3.9
147.11694	51.1
147.63199	1.3
149.09602	4.7
153.01802	4.5
155.08508	1.4
156.09291	1.7
157.10129	23.8
159.11713	11.2
161.09618	4.5
161.13249	4.1
163.11102	2.9
171.11694	26.1
173.13272	6.2
175.11176	5.3
175.14778	2.2
185.13290	7.0
187.14859	8.8
189.12689	3.5
189.16353	1.7
201.05418	1.6
202.50743	1.2
203.07060	2.5
203.17950	10.8
211.65874	1.6
213.05434	1.3
213.12889	1.8
213.16383	41.5
231.06554	19.3
231.10118	21.1
231.13756	5.2
231.17444	100.0
231.21143	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	231.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.2
57.03418	3.1
57.07079	8.9
66.68281	1.8
67.05505	20.1
69.07065	9.0
71.04988	3.1
71.56889	2.4
79.05504	22.0
81.07064	24.0
83.04995	4.3
83.08608	3.0
85.06528	6.6
91.05488	57.0
93.07036	17.1
95.04977	4.6
95.08614	15.2
97.06551	2.1
99.08086	2.3
105.07036	64.0
107.08618	15.8
109.06525	2.1
109.10163	7.6
115.05499	2.6
117.07019	13.1
119.08588	50.3
121.10146	12.6
123.08043	1.8
125.02378	1.9
128.06210	3.4
129.07034	16.9
130.07762	1.9
131.08580	25.4
133.06528	2.3
133.10143	92.6
135.08023	3.6
135.11726	5.6
142.07799	4.4
143.08574	17.8
145.10135	28.7
147.08005	4.1
147.11696	42.5
149.09631	4.8
153.05440	2.6
156.09354	2.0
157.10146	21.9
159.11702	7.4
161.09636	4.7
161.13248	3.7
163.11244	3.4
171.11687	23.7
173.13275	4.2
175.07565	1.9
175.11197	4.8
175.14850	2.5
184.12494	2.1
185.13313	8.5
187.14861	8.8
188.08371	1.8
189.12784	3.3
189.16373	3.2
203.17987	10.1
213.12909	2.7
213.16380	43.5
213.18347	2.9
216.07864	1.9
231.10184	35.2
231.13840	4.3
231.17461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1744
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.03940	2.2
55.01854	1.9
55.05508	5.9
57.03439	24.2
57.07069	1.0
65.03931	1.6
67.05505	20.4
69.07069	5.1
71.04987	2.5
71.57906	1.6
75.25385	0.8
79.05055	1.4
79.05494	20.0
81.07062	17.9
83.04968	1.5
83.08606	3.4
85.06535	6.2
91.05481	26.9
93.07050	13.9
95.04958	2.8
95.08041	1.6
95.08608	21.2
97.06528	3.0
99.08088	4.1
105.07031	23.3
107.08595	9.3
109.06512	8.2
109.10150	5.8
111.08038	2.9
115.05455	2.7
117.07024	30.3
119.08583	19.3
121.10146	7.6
123.08043	2.5
128.06194	3.2
129.06996	12.0
130.07832	1.5
131.08575	28.8
133.10132	18.5
135.08061	7.9
135.11678	5.3
136.09012	0.9
137.09598	2.5
139.03885	1.3
141.06996	1.1
141.74352	0.9
142.07758	3.7
143.08604	9.5
144.09309	1.4
145.09030	1.3
145.10129	14.1
147.04314	1.2
147.08067	2.0
147.11696	17.3
149.09622	17.9
153.01811	1.4
155.08586	1.3
156.09319	1.6
157.10130	16.5
159.11699	73.3
160.12027	1.2
161.09615	4.7
161.13295	2.3
162.40472	1.0
163.03940	1.3
163.11165	4.1
169.10097	2.2
171.11685	14.2
173.13286	10.1
175.07565	1.0
175.11298	5.7
175.14786	8.0
184.12518	2.3
185.09619	1.3
185.13293	8.1
187.14830	2.5
189.05470	1.8
189.12762	2.1
202.13480	1.2
203.10643	1.2
203.14314	1.8
203.17932	4.4
213.12930	1.4
213.16385	31.8
231.06528	7.6
231.10158	16.7
231.14124	4.5
231.17442	100.0
232.17825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1744
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
51.91241	1.0
53.03943	1.9
55.05517	9.7
57.03421	2.2
57.07074	6.3
61.17492	1.0
67.05506	21.3
69.03417	1.5
69.07073	10.6
69.84389	6.2
71.04988	2.9
79.05059	1.7
79.05491	22.2
81.07054	23.1
83.04971	4.4
83.08603	4.2
85.06530	7.5
91.05484	47.8
93.07048	23.8
95.04958	4.9
95.08608	18.0
97.06533	4.2
97.10204	1.3
98.20817	1.4
98.21362	2.4
98.46583	1.1
99.08077	2.6
103.05484	2.2
105.07034	68.7
107.04919	1.6
107.08074	1.1
107.08607	11.6
109.06525	2.0
109.10164	7.4
111.08076	3.1
115.05476	1.1
117.07023	14.1
119.08584	43.4
121.10155	12.9
123.08049	1.8
128.06256	3.1
129.07021	16.4
130.07768	1.4
131.08574	24.1
133.06503	1.7
133.10136	96.1
135.08023	4.4
135.11700	7.2
137.09665	1.7
141.06943	1.5
142.07762	3.7
143.08580	10.6
145.09035	1.7
145.10124	25.8
147.04401	1.3
147.08028	3.2
147.11693	51.9
149.09599	5.3
149.13272	1.9
153.01805	2.0
155.08473	1.3
156.09305	1.8
157.10139	19.9
159.11697	9.5
161.09599	3.3
161.13289	6.6
163.11189	1.3
169.10030	1.8
171.11717	23.3
173.13264	4.3
175.11183	5.0
175.14883	2.9
177.05560	1.4
184.12567	1.1
185.13258	7.1
187.14825	6.8
189.09109	1.4
189.12769	3.9
189.16402	4.5
203.10722	2.0
203.14297	2.1
203.17963	9.3
213.13135	1.7
213.16396	43.4
214.06108	1.1
218.90718	1.5
231.06540	5.1
231.10138	19.5
231.13794	4.0
231.17447	100.0
231.20723	5.4
244.11696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
54.12548	0.5
55.01870	0.8
55.05511	0.6
55.09271	0.5
56.05023	1.9
57.03443	0.6
57.07058	0.7
59.05005	6.6
66.91019	0.6
67.05513	2.8
69.03078	0.6
69.03431	9.3
69.07066	0.8
70.06569	0.7
71.04983	1.5
71.56715	0.8
72.08157	0.7
74.02442	5.6
79.05506	1.5
81.03416	6.5
81.07059	3.0
85.02898	2.8
85.06543	1.4
87.04453	1.9
88.03986	1.1
91.05473	2.7
93.07043	2.5
95.04981	0.7
95.08611	3.3
97.02899	6.8
99.04440	1.5
99.80957	0.7
102.05528	2.5
102.56622	0.6
105.07021	1.6
107.08612	0.9
109.02875	2.7
115.05436	1.4
117.05746	1.4
117.07020	2.2
118.06538	8.0
118.96674	0.6
119.04917	0.8
119.08569	1.2
121.06484	0.6
127.03917	4.4
128.06227	1.3
129.06999	1.4
130.06532	28.2
131.04852	0.6
131.08563	1.8
132.08128	2.1
133.10072	1.8
135.08054	1.1
135.11719	1.1
141.06961	0.7
142.06583	0.8
142.07733	0.8
143.07327	15.9
143.08537	1.7
144.08092	14.2
145.07521	1.1
145.10124	0.7
146.06012	19.7
147.04468	1.0
147.08080	0.9
154.06520	9.2
156.08099	2.9
156.09288	0.8
157.06418	0.7
157.08878	3.4
157.10068	1.0
158.09662	100.0
159.08086	0.8
159.09227	0.8
159.11710	2.2
167.07269	0.9
168.08090	21.5
169.08871	1.4
170.05995	1.1
170.09616	1.8
171.11612	0.8
172.07622	1.0
175.07590	1.3
177.12750	1.3
185.07184	0.8
185.10858	1.1
185.13281	2.0
188.07060	25.7
189.09126	1.5
195.13773	0.8
196.07649	1.4
213.12761	1.4
214.08638	21.7
216.04214	1.2
231.02962	1.3
231.06255	3.1
231.08549	1.1
231.11287	9.7
231.13846	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	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.07423	0.5
55.01872	0.8
55.05506	0.6
56.05034	1.9
58.19831	0.5
59.05013	2.5
69.03438	7.7
69.07052	1.0
70.26678	0.8
70.27044	0.9
70.40772	0.4
71.04986	0.8
74.02441	6.9
81.03432	2.8
81.07034	0.6
84.04500	0.5
85.02927	2.4
86.09706	0.6
87.04478	2.1
91.05488	1.7
95.04975	0.7
97.02901	3.5
98.20922	0.8
99.04456	1.3
102.05565	2.6
105.07067	0.8
109.02872	1.1
111.04457	0.4
113.04226	1.6
115.05454	7.2
117.05762	1.3
117.07032	2.5
118.06546	8.7
119.04946	0.9
119.08604	1.5
127.03926	3.7
128.06221	0.8
129.06992	0.6
130.06534	31.4
131.04930	0.9
131.08578	1.1
132.05733	0.8
132.08080	1.9
134.96846	0.4
135.08055	0.8
141.03712	3.6
141.06966	0.8
142.06566	1.1
142.07738	1.0
143.04965	3.2
143.07321	15.5
143.08516	1.2
144.05736	0.6
144.08102	10.9
145.05064	0.5
145.06485	0.8
146.06021	23.2
146.09641	0.5
147.08070	1.8
153.07108	0.5
154.06532	8.0
155.07277	0.5
156.08107	2.4
157.06458	0.8
157.08876	3.9
157.10127	1.0
158.09660	100.0
159.10089	0.6
160.05194	1.4
160.07578	0.5
161.05948	0.5
161.09656	0.5
167.07320	1.1
168.08104	23.6
169.08826	1.6
170.05994	2.2
170.09680	2.7
171.04442	2.6
172.07593	1.0
175.07536	2.2
185.10764	1.6
185.13280	1.0
187.12343	1.1
188.04597	1.5
188.07072	26.5
189.08984	0.5
196.07581	2.0
199.03963	0.7
203.03394	0.7
203.07047	5.5
203.08804	0.7
203.14348	0.6
213.12747	1.5
214.08633	18.8
214.10709	1.1
216.04204	0.7
231.03058	0.9
231.06496	6.8
231.08813	0.9
231.11304	10.1
231.13835	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	231.0653
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
51.02382	0.3
53.03947	2.1
55.01873	0.4
55.05513	0.3
56.43936	0.2
57.51005	0.2
63.09616	0.2
67.01869	1.9
67.05502	0.4
68.99788	1.4
69.03432	2.2
69.07059	0.2
71.04988	0.3
71.57095	0.2
71.57494	0.2
77.03945	0.4
81.03433	0.9
81.07047	0.2
83.01343	0.4
83.04967	0.3
83.08599	0.3
83.21196	0.2
84.24344	0.2
85.02887	0.3
85.06548	0.3
91.05504	0.4
93.07049	0.4
95.04973	2.9
95.08618	0.4
97.02888	1.1
98.97572	0.5
99.08105	0.2
105.03397	28.2
105.04545	0.9
105.07023	0.4
107.08612	0.2
109.06506	0.2
111.00805	0.3
115.05421	0.4
117.07034	0.4
119.08596	0.6
121.10094	0.2
127.03994	0.2
128.06223	0.7
129.06987	0.2
131.04938	0.2
133.10086	0.3
135.08156	0.2
141.07002	0.7
142.07782	0.6
143.08595	0.5
145.06487	0.2
145.10123	0.4
147.08034	0.2
153.01834	100.0
154.02148	1.1
157.06511	0.3
157.10144	0.7
159.08028	0.3
161.06059	0.2
161.09622	0.4
170.07306	0.8
171.02907	1.0
171.08066	0.4
171.11682	0.2
175.07613	0.2
175.09702	0.2
177.16464	0.3
185.05945	0.3
185.13261	0.5
198.06714	0.3
199.07524	0.3
203.03241	0.2
203.10634	0.2
203.14417	0.2
213.12730	0.8
216.04187	0.3
216.07809	0.5
216.29515	0.2
231.06523	23.5
231.09911	2.4
231.13765	2.0
231.17239	0.3
232.06978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99862	1.0
55.01870	2.4
55.05499	2.6
56.96565	16.7
57.03416	1.0
57.07079	1.3
57.88882	0.9
58.99865	2.8
61.02935	1.8
68.98297	2.9
69.03439	6.4
69.03745	1.1
69.97739	4.7
70.06595	5.3
71.01363	1.4
71.04980	3.3
71.95287	1.0
72.05324	1.6
73.02911	2.2
73.06548	1.0
77.00904	2.5
81.03420	3.5
82.99871	3.8
83.04967	1.1
84.08132	1.8
84.96031	2.2
85.01424	5.6
85.02905	4.6
85.06541	1.4
86.09712	7.2
86.99320	3.4
88.04002	1.5
91.02463	1.4
95.86749	1.0
97.02892	4.2
98.21049	2.8
98.97601	9.1
99.04469	1.2
100.02482	1.7
101.00885	30.0
102.73571	1.2
103.00641	3.8
103.02456	20.2
105.00359	3.0
109.02851	1.6
110.97584	2.5
112.99127	1.2
113.00887	1.9
113.02335	1.6
114.06673	1.5
115.02454	6.3
116.07108	3.6
116.98635	3.9
117.03999	9.6
119.01926	100.0
120.02058	2.3
121.01670	9.3
121.02383	1.1
121.02657	1.3
121.03478	10.5
127.02451	3.0
127.03911	2.7
128.98665	4.8
129.00371	4.1
131.00208	1.7
131.01912	16.0
131.52020	1.3
133.01730	3.5
133.03455	11.7
134.99655	2.7
135.03250	2.2
135.05046	8.6
137.02963	20.3
139.02505	3.3
141.03954	2.0
142.03508	2.4
143.00163	2.9
143.01903	12.0
144.03476	1.0
145.03473	47.5
146.99612	3.7
147.01393	27.5
147.05013	2.9
149.01131	1.4
149.02942	4.5
151.04556	2.8
153.01852	3.5
155.01910	5.6
157.03493	23.2
157.07642	2.3
158.99675	1.7
159.01399	2.8
159.03166	1.2
159.05032	6.5
161.01262	4.4
161.02954	35.7
162.03030	1.5
162.99091	1.4
163.03047	1.3
163.04530	24.4
165.02481	7.4
167.00679	0.9
167.01852	5.5
168.05016	1.8
170.03024	1.2
170.99814	2.2
171.01396	21.1
171.02946	1.7
171.05026	2.3
171.07704	1.1
173.01480	0.9
173.02965	17.1
174.98506	1.4
175.02873	1.5
175.04517	4.5
177.00859	1.5
177.02470	2.9
177.06027	2.2
179.02412	1.4
179.04027	4.5
180.05060	3.3
183.01358	1.8
183.03506	1.8
184.04587	1.4
185.02965	47.6
185.06790	1.3
185.11128	3.2
187.03014	1.2
187.04529	6.9
189.02446	93.9
190.03520	1.8
191.04042	2.2
196.06123	2.0
198.98520	1.2
199.04503	1.5
200.04553	1.6
201.02444	13.4
203.02396	0.7
203.04030	21.8
203.07533	1.6
205.05594	2.1
206.98134	1.6
207.01788	2.0
207.03516	22.7
208.02612	1.9
208.04565	32.2
209.04929	1.2
212.04027	4.3
213.02448	2.1
213.05951	1.2
216.99974	3.3
219.01590	1.8
219.03537	25.1
221.03157	1.2
221.05139	2.6
226.05716	2.7
231.03499	29.1
231.06781	5.4
231.09781	2.6
231.11649	5.3
231.13806	2.0
231.15872	1.9
248.99220	2.8
249.04559	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	230.9904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07498	5.5
56.96563	17.5
69.03432	8.7
70.06599	56.4
70.27176	24.6
70.27510	6.6
71.04999	7.7
88.03992	27.8
97.02916	9.5
98.21262	10.1
98.97588	10.2
100.02486	7.0
101.00877	26.5
103.00674	8.5
103.02470	6.7
115.02435	10.1
116.07085	55.8
119.01927	53.3
121.01678	13.5
125.07081	14.9
127.61447	6.8
131.01903	14.7
133.01604	5.8
133.03453	14.2
139.02452	6.8
142.08659	5.9
143.00156	7.1
143.01877	13.4
145.03447	10.8
147.05112	7.4
151.04622	6.7
153.01845	17.5
157.03517	54.5
159.05075	17.3
161.01253	9.4
161.02986	29.3
167.01898	15.2
171.07637	18.9
173.03000	8.6
175.04477	7.5
177.04318	8.9
180.04985	8.4
185.02937	100.0
185.09389	6.1
185.11206	8.0
187.04533	12.9
189.02460	17.0
189.04083	7.4
196.06059	30.8
203.04066	40.1
208.04588	60.2
216.52879	5.9
219.03497	10.7
231.03310	14.3
231.06841	7.4
231.09779	13.0
231.11707	17.0
231.16008	10.2
249.04373	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99862	1.0
55.01870	2.4
55.05499	2.6
56.96565	16.7
57.03416	1.0
57.07079	1.3
57.88882	0.9
58.99865	2.8
61.02935	1.8
68.98297	2.9
69.03439	6.4
69.03745	1.1
69.97739	4.7
70.06595	5.3
71.01363	1.4
71.04980	3.3
71.95287	1.0
72.05324	1.6
73.02911	2.2
73.06548	1.0
77.00904	2.5
81.03420	3.5
82.99871	3.8
83.04967	1.1
84.08132	1.8
84.96031	2.2
85.01424	5.6
85.02905	4.6
85.06541	1.4
86.09712	7.2
86.99320	3.4
88.04002	1.5
91.02463	1.4
95.86749	1.0
97.02892	4.2
98.21049	2.8
98.97601	9.1
99.04469	1.2
100.02482	1.7
101.00885	30.0
102.73571	1.2
103.00641	3.8
103.02456	20.2
105.00359	3.0
109.02851	1.6
110.97584	2.5
112.99127	1.2
113.00887	1.9
113.02335	1.6
114.06673	1.5
115.02454	6.3
116.07108	3.6
116.98635	3.9
117.03999	9.6
119.01926	100.0
120.02058	2.3
121.01670	9.3
121.02383	1.1
121.02657	1.3
121.03478	10.5
127.02451	3.0
127.03911	2.7
128.98665	4.8
129.00371	4.1
131.00208	1.7
131.01912	16.0
131.52020	1.3
133.01730	3.5
133.03455	11.7
134.99655	2.7
135.03250	2.2
135.05046	8.6
137.02963	20.3
139.02505	3.3
141.03954	2.0
142.03508	2.4
143.00163	2.9
143.01903	12.0
144.03476	1.0
145.03473	47.5
146.99612	3.7
147.01393	27.5
147.05013	2.9
149.01131	1.4
149.02942	4.5
151.04556	2.8
153.01852	3.5
155.01910	5.6
157.03493	23.2
157.07642	2.3
158.99675	1.7
159.01399	2.8
159.03166	1.2
159.05032	6.5
161.01262	4.4
161.02954	35.7
162.03030	1.5
162.99091	1.4
163.03047	1.3
163.04530	24.4
165.02481	7.4
167.00679	0.9
167.01852	5.5
168.05016	1.8
170.03024	1.2
170.99814	2.2
171.01396	21.1
171.02946	1.7
171.05026	2.3
171.07704	1.1
173.01480	0.9
173.02965	17.1
174.98506	1.4
175.02873	1.5
175.04517	4.5
177.00859	1.5
177.02470	2.9
177.06027	2.2
179.02412	1.4
179.04027	4.5
180.05060	3.3
183.01358	1.8
183.03506	1.8
184.04587	1.4
185.02965	47.6
185.06790	1.3
185.11128	3.2
187.03014	1.2
187.04529	6.9
189.02446	93.9
190.03520	1.8
191.04042	2.2
196.06123	2.0
198.98520	1.2
199.04503	1.5
200.04553	1.6
201.02444	13.4
203.02396	0.7
203.04030	21.8
203.07533	1.6
205.05594	2.1
206.98134	1.6
207.01788	2.0
207.03516	22.7
208.02612	1.9
208.04565	32.2
209.04929	1.2
212.04027	4.3
213.02448	2.1
213.05951	1.2
216.99974	3.3
219.01590	1.8
219.03537	25.1
221.03157	1.2
221.05139	2.6
226.05716	2.7
231.03499	29.1
231.06781	5.4
231.09781	2.6
231.11649	5.3
231.13806	2.0
231.15872	1.9
248.99220	2.8
249.04559	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	230.9904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22713	3.9
55.01875	5.6
56.96566	21.3
61.02924	6.6
68.03860	4.0
69.03426	11.3
70.06594	57.6
71.04984	10.9
71.06908	3.9
71.54950	7.8
72.08145	5.1
73.02898	8.6
81.03413	9.6
84.04502	6.7
85.02914	9.5
86.09704	12.9
88.03990	15.1
91.02477	4.1
95.01343	5.4
97.02879	10.9
98.97583	14.1
99.04488	6.2
101.00887	35.4
101.71566	4.2
103.00629	15.3
103.02451	8.0
109.02892	7.6
109.77293	4.6
113.00944	6.1
113.02338	5.8
113.03535	6.3
114.06616	5.2
115.02448	11.7
116.07113	40.4
116.98609	6.9
119.01133	7.8
119.01926	94.3
120.01990	4.5
121.01686	43.1
124.99034	4.3
125.07116	8.3
127.03921	5.8
128.10698	7.0
129.00301	5.9
129.03946	4.9
131.01904	16.5
133.01640	9.9
133.03471	24.6
135.03227	4.8
135.04988	4.3
137.02933	15.9
139.02533	13.3
143.01894	19.9
145.03485	28.1
146.99574	5.2
147.01382	10.2
147.04985	5.0
153.01822	24.6
154.02188	7.9
155.01878	12.6
157.03482	55.5
159.01379	6.6
159.05022	23.5
161.02971	47.9
163.04549	7.2
167.01938	8.7
167.08105	6.7
170.99562	6.4
171.01358	14.4
171.03180	3.8
171.07680	9.2
173.03014	16.1
175.04572	11.5
177.04387	5.0
177.06096	7.4
180.05038	9.1
181.03519	4.0
185.02937	100.0
185.06795	5.0
185.11214	10.3
187.04492	16.9
187.06018	5.3
189.00702	11.7
189.02440	25.1
190.03331	5.4
191.03978	5.4
196.06110	21.2
196.88589	4.4
201.02452	12.9
203.04016	34.4
207.03493	8.1
208.04553	65.0
213.05736	9.0
213.08751	8.7
217.00101	5.2
219.03543	25.7
226.05592	7.3
231.03522	19.6
231.06773	7.2
231.09778	11.8
231.11646	25.7
231.13689	9.4
231.16071	12.8
248.99214	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	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
51.01969	2.0
53.03938	5.0
54.03340	1.9
55.01848	3.1
55.05513	73.8
57.03416	5.8
57.07080	14.7
57.22254	1.9
59.05009	13.1
60.67559	2.1
63.95407	2.2
65.03933	2.5
67.05171	2.6
67.05511	43.5
69.03432	20.5
69.07069	27.2
69.65779	14.3
71.05006	12.8
77.81482	1.9
79.05487	11.5
81.03424	12.3
81.07061	39.8
83.04482	3.6
83.04986	67.6
83.08623	39.9
85.06543	37.8
87.04448	4.0
91.05485	14.9
93.07049	31.0
95.04976	13.3
95.08611	29.6
97.06528	5.9
97.10170	10.1
98.21025	7.3
99.00794	4.8
99.04433	2.2
99.08089	21.9
101.06030	12.2
105.03415	2.5
105.07031	18.0
107.04974	3.0
107.08598	38.6
109.02879	8.5
109.06527	5.9
109.10162	100.0
111.08063	8.0
111.11679	2.3
113.03465	2.5
113.06035	3.2
115.05507	2.3
117.07001	4.8
119.08584	16.6
121.10168	16.2
123.08065	4.8
123.11718	43.4
125.09641	19.2
127.11191	29.0
128.06212	3.6
129.07007	5.4
131.08615	12.3
133.06479	2.9
133.10138	16.0
135.11697	38.3
137.09621	8.3
141.07008	5.1
141.12749	2.3
142.07745	2.4
143.08548	4.8
144.09323	2.8
145.06497	3.5
145.10153	13.5
147.11685	6.1
149.13284	20.2
151.11179	11.5
151.14825	4.8
153.06955	3.0
153.12766	12.6
155.08557	7.0
155.10727	3.4
157.06508	2.5
157.10117	5.3
158.07251	3.4
158.10889	3.8
159.08070	7.8
159.11661	13.4
167.14317	37.3
168.09308	4.0
169.06499	3.0
169.10066	5.0
169.12248	44.9
170.10905	3.6
171.04417	2.1
171.08127	3.0
171.11595	2.3
171.13696	3.7
172.08794	2.5
173.06096	2.6
173.09639	9.5
173.11804	4.8
173.13118	11.4
175.14854	13.8
183.07985	2.7
183.11751	10.1
185.13478	2.6
185.15370	8.2
186.06616	3.2
186.10422	4.9
187.07422	2.6
187.11185	9.0
187.14758	3.8
188.29337	2.5
193.15871	21.6
194.40057	2.0
196.08839	3.0
201.09062	4.4
201.12723	9.7
201.16475	3.3
211.11227	4.6
211.14909	4.8
211.16928	71.7
214.09891	2.4
229.04904	3.1
229.08679	13.6
229.12314	36.3
229.16072	19.7
229.17903	9.4
229.19902	13.7
229.23602	4.3
248.43526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
51.18948	2.0
53.03936	2.7
55.05513	73.5
55.05782	3.6
57.03434	5.1
57.07076	10.4
59.04998	12.1
67.05505	34.8
68.12986	1.9
69.03434	20.9
69.07073	25.5
69.80078	12.0
71.04985	12.3
71.37160	1.9
79.05492	8.5
81.03410	5.4
81.07051	26.9
83.04984	67.1
83.08627	42.7
85.06548	30.0
87.04478	5.1
91.05489	5.3
93.07050	22.8
95.04974	7.3
95.08610	26.4
97.06551	2.8
97.10171	8.0
98.21066	6.3
99.08102	15.5
101.06027	10.6
105.07035	11.1
107.08600	41.0
109.02873	3.3
109.06512	3.8
109.10160	100.0
110.10483	2.9
111.08096	10.1
113.06021	3.5
119.08566	12.8
121.10140	14.9
123.08097	3.5
123.11707	50.2
125.09645	19.6
125.13223	2.0
127.07658	1.8
127.11200	32.0
129.07010	2.1
131.08632	2.6
133.10153	9.3
135.11699	36.3
137.09642	6.6
141.12746	5.5
145.06514	2.3
145.10187	3.8
149.13246	15.7
151.11165	12.4
151.14810	2.9
153.12744	13.6
159.11671	3.8
167.14325	39.9
169.12259	47.7
169.13649	3.2
171.13873	2.6
173.13272	2.6
174.35521	1.9
175.14868	14.5
183.11800	1.8
185.15396	9.9
187.11177	3.3
193.15903	25.3
201.12703	2.7
206.19658	1.9
211.16939	79.8
229.08568	2.9
229.12224	7.0
229.15843	6.4
229.17987	11.3
229.23560	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	229.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05515	12.2
57.03437	17.4
57.07065	2.3
59.04987	5.6
67.05505	97.6
69.03425	2.0
69.07066	7.1
70.10188	8.0
71.04988	5.1
77.03961	1.4
79.05493	14.3
81.07058	23.7
83.04963	3.6
83.08627	6.5
85.06519	2.4
91.05484	37.0
93.07052	11.6
94.67092	1.4
95.04977	3.7
95.08618	11.9
95.34900	1.5
96.11733	1.7
98.20986	3.5
105.07037	16.7
107.04946	2.4
107.08585	5.9
109.06484	1.5
109.10156	74.0
111.08111	3.8
115.05458	4.2
116.06265	6.9
117.07037	16.5
119.08578	13.2
121.10181	3.1
125.64486	1.6
128.06244	3.5
129.07016	22.5
130.07806	3.5
131.08568	100.0
133.06557	2.0
133.10095	8.8
135.08058	2.2
137.09628	4.3
141.06990	10.4
142.07852	1.6
143.08568	14.4
145.06470	3.0
145.10124	37.2
147.08095	2.6
147.11592	2.0
149.09639	3.0
153.06966	1.6
155.08536	11.3
155.10678	4.1
156.09366	2.4
157.10136	5.6
159.08028	2.8
159.11717	8.4
161.09610	2.7
167.08618	2.8
169.10149	15.5
171.11690	23.9
173.09601	3.7
173.10283	1.7
173.11772	19.4
173.13280	5.3
181.10170	2.1
182.11055	1.9
183.11668	9.7
185.13307	11.1
187.11214	5.9
187.14842	7.1
201.12761	2.9
201.16435	10.7
211.11234	2.7
211.14809	20.0
229.08582	5.0
229.12230	10.5
229.16055	74.2
229.19232	7.9
229.23558	2.8
229.27213	13.2
230.16380	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09286	2.1
53.03942	6.9
55.01866	4.0
55.05260	4.3
55.05513	70.9
57.03445	3.3
57.07079	26.3
59.05003	15.3
67.05507	42.5
69.03427	31.5
69.07064	23.2
71.04994	15.3
71.11465	4.1
73.06511	2.4
79.05489	9.1
81.03424	44.8
81.07063	37.7
83.04986	73.0
83.08621	48.3
85.06551	35.2
87.04459	3.9
89.05992	2.9
91.05476	10.6
93.07045	29.0
95.04991	12.4
95.08616	25.5
97.02885	7.2
97.06537	5.7
97.10155	7.4
99.04449	2.6
99.08088	27.1
101.06052	11.9
105.07043	12.8
107.04923	2.7
107.08601	49.0
109.02898	12.1
109.06506	5.8
109.10157	100.0
111.08080	10.0
111.11720	2.9
113.03509	4.1
113.06015	5.4
119.08572	15.4
121.10147	13.1
123.04566	2.3
123.08031	4.9
123.11709	60.6
125.09635	26.1
127.11193	41.3
131.08594	4.7
133.10114	14.2
135.11700	39.9
137.09593	3.7
141.06921	3.9
147.11699	5.2
149.13292	22.8
151.11183	17.9
151.14764	5.1
153.06985	2.7
153.12744	5.0
153.68933	2.3
155.08510	3.1
159.08047	5.2
159.11728	4.8
165.12688	2.5
167.14330	50.1
169.10081	3.4
169.12238	51.9
173.13295	4.2
174.10426	2.3
175.14844	16.3
183.11662	4.4
185.15335	13.2
193.15900	23.0
201.05345	2.9
201.12711	3.1
211.11218	2.6
211.16943	94.9
229.08615	6.1
229.10429	4.5
229.12541	13.9
229.15982	5.7
229.17885	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	229.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.05506	9.0
56.16882	1.1
57.03433	7.8
59.05000	2.5
67.05506	46.1
69.03427	2.1
69.07073	6.3
69.60703	3.1
69.61113	4.7
71.05000	2.6
79.05503	11.6
81.07059	16.5
83.08615	5.5
85.06544	2.1
91.05482	35.8
93.07037	8.1
95.04984	1.3
95.08642	7.2
97.06524	2.7
97.54607	1.3
99.00843	2.5
103.05491	2.7
105.07041	18.0
107.08605	6.6
109.10159	32.6
111.08095	1.4
112.15233	1.4
115.05476	3.7
116.06261	4.9
117.07018	15.6
119.08586	14.8
121.10139	2.8
128.06255	4.5
129.07001	19.0
130.07803	3.6
131.08571	100.0
133.10136	6.9
134.96974	1.2
135.08049	1.5
137.09628	2.9
141.06975	8.6
142.07780	2.7
143.08554	15.4
144.09337	1.8
145.10132	33.9
147.08092	3.5
147.11703	1.8
149.09627	1.6
154.07890	2.1
155.08530	8.2
155.10590	1.5
156.09351	1.6
157.10170	4.9
159.08138	1.8
159.11679	8.7
161.09702	2.3
167.08632	2.1
168.09378	2.2
169.10156	15.3
170.10948	1.7
171.11690	22.4
173.09679	5.2
173.11792	10.4
173.13322	3.4
183.11717	7.0
185.13260	9.9
187.11304	4.3
187.14815	7.6
201.16429	9.1
211.14807	21.5
229.05052	2.2
229.08714	5.4
229.12271	4.9
229.15964	71.3
229.19656	6.4
229.23534	2.6
229.27182	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	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01881	0.7
56.96566	3.4
57.03438	1.0
58.06600	5.8
59.07385	1.2
60.08168	7.7
68.05024	1.3
69.03439	1.3
69.94524	0.5
69.94938	0.7
70.06594	37.1
70.43426	0.3
71.04984	1.1
72.08162	0.6
73.02920	0.6
79.01833	0.5
79.05515	0.2
81.03419	0.7
81.04508	0.3
81.07054	0.3
83.05002	0.3
84.04478	0.3
85.02930	1.3
87.04514	0.3
95.60944	0.3
96.08143	1.6
97.02901	1.0
98.06066	0.9
98.20712	0.3
98.21271	0.6
98.97588	3.2
101.00882	2.4
110.97599	0.7
112.99159	0.3
113.00881	0.3
114.05535	4.2
114.06658	1.0
114.09164	2.0
116.07119	1.2
116.98605	1.5
119.01922	8.2
121.01705	0.2
124.07600	4.1
124.99121	0.3
126.09171	0.8
127.03925	0.4
128.98579	0.6
130.06653	0.3
131.01903	0.9
133.01663	0.4
133.03476	0.9
134.99643	0.8
137.02190	0.6
137.02979	1.3
140.07048	0.4
142.08641	31.9
143.00249	0.4
143.01906	1.0
143.03352	0.3
144.99820	0.4
145.03467	0.6
152.02306	0.5
153.00699	0.4
153.01846	4.3
153.02971	0.6
155.01912	0.4
157.03479	0.7
159.03236	0.3
161.01270	0.7
161.02946	3.2
168.99858	0.9
170.08160	1.8
170.99619	0.3
173.02966	0.6
174.99191	0.3
175.04594	0.4
177.00740	0.5
183.05087	0.3
183.07703	0.7
183.14885	0.3
184.10767	0.8
185.01207	0.5
185.02878	0.4
185.49088	0.3
186.99268	0.5
187.00911	1.6
187.02763	0.6
187.04535	2.0
189.00729	0.6
189.04318	0.4
201.02411	0.3
201.06015	0.4
203.02260	0.4
205.00218	0.5
205.02014	0.6
205.05687	0.5
205.98656	0.4
206.07100	0.5
215.00354	1.2
224.08173	0.3
229.00192	0.4
229.05428	0.7
229.15480	100.0
230.11436	1.4
230.15791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.03938	0.3
55.01861	0.9
56.05048	0.4
56.96566	4.1
57.03436	2.2
58.06337	0.4
58.06601	5.3
58.99865	0.4
59.07379	1.5
60.07880	0.4
60.08168	6.5
61.02920	3.5
68.05024	1.1
68.07954	0.3
69.03418	2.4
70.06593	36.7
70.98109	0.7
71.04979	1.5
71.56982	0.5
72.08157	1.1
73.02908	2.8
77.00883	0.5
79.01840	1.0
81.03417	1.3
81.04533	3.9
82.99836	0.6
83.04993	0.6
83.06084	1.0
84.04489	0.5
85.02895	3.6
85.06516	1.0
85.07026	0.3
89.00843	0.8
91.03970	0.4
95.06093	5.2
96.08116	1.9
97.02895	3.8
98.06007	0.5
98.97577	4.0
99.04443	0.9
101.00883	8.5
103.02430	1.4
103.03949	0.5
109.02875	1.2
110.01266	0.5
110.97570	1.1
111.05548	1.7
113.00861	1.3
114.05537	4.6
114.06635	1.8
114.09174	1.7
115.02434	1.0
116.07100	1.3
116.98625	2.0
118.01014	0.4
119.01916	25.6
120.02036	0.7
121.01655	1.3
121.03470	0.8
123.05552	0.4
124.07594	2.8
125.01729	0.5
126.09178	0.7
127.03902	1.5
127.04971	1.9
128.02295	1.5
128.98598	1.3
129.03998	0.4
130.52618	0.3
131.01901	7.2
131.05511	0.5
133.01602	1.0
133.03455	4.7
134.02197	0.4
134.99641	0.8
137.02936	5.2
139.01534	0.5
139.04161	1.2
140.02310	0.5
140.06987	0.4
142.03484	0.8
142.08633	32.6
142.96425	0.4
143.00121	0.5
143.01875	1.5
143.03351	1.2
144.45740	0.3
144.99806	1.5
145.01620	0.8
145.03468	1.3
145.05052	0.4
146.02245	0.4
146.99640	1.2
147.01317	1.1
147.03149	0.7
147.04892	0.4
148.02069	0.4
148.03705	1.7
148.04829	2.3
149.02942	1.4
149.06587	0.6
151.04541	1.1
153.01845	10.4
153.02943	0.8
154.02141	0.8
154.03683	0.3
154.07341	2.1
155.01787	0.5
155.08157	3.2
157.02524	0.3
157.03445	3.0
158.99640	0.7
159.05005	0.7
159.51541	0.4
160.02045	0.6
161.01271	0.3
161.02943	1.8
161.04596	0.3
162.01765	0.9
162.03059	0.6
163.02751	0.9
163.04442	0.3
165.00735	0.4
166.09740	0.5
168.01810	0.4
168.99825	2.5
169.03554	0.5
170.08124	1.6
170.99693	0.5
171.05060	0.6
172.95262	0.4
172.99368	0.5
173.02950	1.4
173.06572	0.6
175.02988	0.4
175.04503	2.3
177.00818	0.7
177.02373	1.5
183.02374	0.7
183.07649	17.9
183.11230	3.8
184.04704	0.7
184.10854	1.3
185.02971	0.8
185.06581	0.6
186.99269	0.7
187.00888	4.9
187.02589	0.7
187.04602	1.7
187.06076	0.4
189.00719	0.9
189.02319	0.4
191.02237	0.5
191.03920	0.6
192.02826	0.4
193.00127	0.3
196.99297	0.9
197.01024	0.5
201.00735	0.4
201.02531	1.1
201.05548	0.4
203.03987	0.5
203.07617	0.6
205.00122	0.4
213.03493	0.4
215.00386	4.1
215.07555	0.5
219.01656	0.5
220.06035	0.6
221.04999	0.5
229.03523	1.8
229.08241	11.2
229.12164	6.9
229.15468	100.0
230.05367	0.9
230.11392	3.1
230.15851	1.3
237.02811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.7
57.03439	19.2
57.07076	1.5
59.05005	5.3
64.25509	0.7
65.03939	1.8
67.05505	100.0
68.05838	0.7
69.07063	2.6
69.53602	1.6
69.54018	3.6
71.04995	4.1
76.91986	0.7
79.05484	1.3
79.37918	0.7
81.07055	11.8
82.07349	0.7
83.08624	5.2
85.06564	3.4
91.05473	6.7
93.07047	3.6
95.08614	5.9
98.20764	1.5
98.21421	1.5
101.47287	0.7
105.06976	0.9
107.08592	1.4
109.10157	84.8
110.10475	1.6
111.08078	2.4
117.07030	1.1
119.08597	5.9
129.06963	0.8
131.08575	0.8
137.09642	4.1
137.38167	0.7
145.10081	1.4
155.10657	4.3
158.51381	0.8
159.11613	0.9
160.62404	0.7
173.11757	26.5
173.13228	1.1
209.77214	0.7
229.10332	0.9
229.12277	2.1
229.14273	23.6
229.19402	2.0
229.23436	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	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01868	10.0
55.05502	11.3
57.03401	8.0
57.07053	3.8
60.84138	2.1
61.82427	2.1
67.05509	63.4
67.05846	2.5
69.03387	3.2
69.07061	13.0
70.75263	5.7
71.04956	4.5
75.69308	2.0
79.05483	17.8
81.03391	4.5
81.07056	67.4
83.04934	8.4
83.08568	9.0
84.12133	2.0
85.06507	5.1
91.05483	34.6
93.07062	12.2
95.04935	8.3
95.08598	17.8
97.02894	1.9
97.06535	14.0
99.00736	2.5
99.08017	2.6
101.33617	2.1
105.07035	36.6
107.04926	4.1
107.08616	12.3
109.02810	3.8
109.06509	10.9
109.10162	31.3
111.08061	3.5
117.06983	3.5
119.08582	36.0
121.10145	19.7
123.08059	3.5
123.11721	22.3
127.07430	2.2
129.06996	12.8
131.08598	13.2
133.10132	11.1
141.06946	3.2
142.07727	3.7
143.08499	4.2
145.06393	2.4
145.10037	8.5
147.11682	93.6
149.09497	5.0
153.06891	2.7
155.08504	3.3
157.10133	22.6
159.07959	5.5
159.11687	4.0
165.11398	2.6
165.12741	43.3
169.10065	2.5
173.09511	7.7
173.11612	5.8
173.13148	5.4
175.11203	23.0
183.11626	5.6
183.13525	2.0
187.11128	3.0
187.14728	3.0
193.12088	6.1
201.08939	2.4
201.12689	4.7
211.11121	3.5
229.08295	6.1
229.12125	19.5
229.14188	100.0
229.15846	7.5
229.19310	8.5
229.23448	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.3
57.03439	19.2
57.07082	2.4
59.05001	4.4
65.03939	1.9
67.05508	100.0
68.05861	1.1
69.03420	1.5
69.07079	2.0
69.67904	1.7
69.68320	2.5
71.04996	3.4
72.13486	0.6
79.05503	2.7
81.07060	15.4
83.08622	6.7
85.06557	3.3
91.05480	6.7
93.07033	4.6
95.04975	0.9
95.08621	6.9
99.00836	1.4
105.07045	1.4
107.08598	2.2
109.10159	84.4
110.10493	0.8
111.08098	3.7
117.07021	1.3
119.08571	5.9
129.07016	1.0
131.08588	4.2
133.10187	1.3
137.09633	3.2
143.08592	0.8
145.10143	2.4
155.08534	1.2
155.10602	5.9
159.08150	0.8
159.11694	2.1
171.11646	0.7
173.09521	1.0
173.11768	22.7
173.13272	2.4
183.11722	1.1
187.14886	0.9
201.12869	0.8
201.16435	1.0
211.14633	0.9
229.05090	0.7
229.08667	2.1
229.12230	4.2
229.14156	21.9
229.15871	3.7
229.19283	3.9
229.23624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05513	9.7
57.03439	19.6
57.07085	2.2
59.05008	6.1
65.03934	1.9
67.05508	100.0
68.05844	0.7
69.07056	2.3
70.18861	1.1
70.19257	1.4
71.05004	3.3
79.05492	3.5
81.06577	0.8
81.07059	16.4
83.08625	6.4
84.15510	0.7
85.06533	2.9
91.05485	7.9
93.07056	5.3
95.08622	8.0
98.21077	1.2
105.07020	3.4
107.08576	3.5
107.50584	0.6
109.10160	85.0
110.10529	1.1
111.08080	3.4
117.07040	2.9
119.08591	8.9
121.10142	1.0
127.11208	0.6
131.08559	4.0
133.10141	4.0
135.11633	0.9
137.09630	2.9
137.97354	0.6
145.10120	3.9
147.11700	3.1
154.04597	0.6
155.10669	4.5
159.11673	4.5
161.13245	1.1
169.09978	0.7
171.11534	0.6
173.11768	23.2
173.13251	3.3
178.91293	0.7
187.11217	0.8
187.14850	1.9
201.16370	0.9
229.08578	2.6
229.12302	1.5
229.14323	25.0
229.19502	13.6
229.23419	1.2
242.55640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0973
Annotation	CHEBI:132265
Peak:m/z	Relative Intensity
53.03937	0.3
55.05498	0.4
56.74374	0.2
57.07084	1.2
62.03538	0.2
64.41561	0.2
67.05450	0.3
69.03402	1.0
70.96899	0.2
70.97244	0.6
79.05458	0.3
81.03423	2.1
81.07005	0.4
83.04957	0.4
85.06538	0.4
91.05483	0.5
91.76714	0.2
95.04913	0.3
99.00828	0.3
105.07031	0.4
109.02884	0.7
109.70653	0.2
115.05446	3.0
118.06548	1.3
118.07257	0.2
129.06958	0.2
139.63126	0.2
142.06543	3.3
143.08536	0.3
144.08063	0.9
146.06035	2.8
146.16104	0.2
155.71292	0.2
156.08069	0.4
159.09203	0.5
167.07253	0.3
168.06816	0.9
168.08092	0.4
168.09395	0.3
169.07558	0.5
170.06012	0.7
182.08403	0.7
183.09184	100.0
184.09558	1.1
185.10747	0.3
188.07060	2.4
201.06709	0.5
201.10335	0.3
201.12756	0.3
210.41672	0.2
211.08772	0.6
214.09978	0.2
229.09744	55.5
229.23608	0.3
230.09929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.02376	2.4
53.03939	9.7
55.01871	11.6
55.05513	85.3
57.03429	8.0
57.07087	12.5
59.04987	8.4
65.03930	6.8
65.39661	2.5
67.05505	72.7
68.02624	5.7
69.03429	4.3
69.07071	100.0
71.05006	12.6
71.08617	5.8
71.56740	3.4
71.57129	3.1
73.06528	4.2
75.04482	5.1
79.05495	70.9
81.03411	4.4
81.07057	45.4
83.04990	27.8
83.08623	32.6
85.02904	4.6
85.06534	10.5
87.04464	7.1
91.05476	20.0
93.06464	4.6
93.07046	75.6
95.04973	9.4
95.08615	27.5
97.02895	4.0
97.06535	87.0
97.10170	28.8
98.21049	2.6
99.04455	3.6
99.08086	9.4
100.11272	15.7
103.11524	3.0
105.07027	15.2
107.04949	11.9
107.08604	50.3
109.06542	8.5
109.10162	25.8
111.04449	56.0
111.08083	54.4
111.11712	5.8
112.05230	3.7
113.05994	10.2
115.05458	2.3
117.05500	5.2
117.07005	10.1
119.08606	5.0
121.06506	9.0
121.10181	14.3
123.08054	4.6
125.05165	4.4
125.06000	54.1
125.09631	28.9
126.06779	4.3
127.07526	2.5
128.06256	3.4
129.05472	10.3
129.06978	4.6
131.08559	9.8
133.10133	5.9
135.08063	3.9
135.11684	24.1
137.09589	9.3
139.07544	24.5
139.11174	5.0
141.06989	2.9
142.07779	6.6
143.08559	8.2
149.09561	4.4
149.13252	25.8
151.11179	4.4
153.09097	16.8
153.12764	4.2
156.09367	3.8
157.10147	13.4
159.11719	5.4
167.07062	2.9
167.10643	5.4
167.14345	5.8
171.07935	4.1
171.11696	6.3
177.12769	8.1
179.08553	2.4
181.15875	99.9
185.06091	2.6
185.09575	2.8
185.13254	5.6
189.11205	5.0
191.14285	6.7
199.11047	2.4
199.14731	2.3
205.43301	2.6
209.13437	3.5
209.15326	62.3
227.07014	5.6
227.10526	6.2
227.12407	17.1
227.14366	8.7
227.16183	86.9
227.18050	16.5
228.23149	5.0
236.83763	2.3
247.61108	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03937	1.5
55.01857	1.2
55.05299	1.0
55.05513	10.7
56.74964	0.9
57.03437	7.0
57.07063	3.6
58.63391	0.8
59.04988	3.2
59.58843	0.9
67.05505	5.9
69.03440	4.5
69.07069	8.4
69.36774	7.8
71.04645	1.0
71.04999	13.0
73.06545	1.8
75.04472	1.8
79.05489	5.9
81.03413	2.6
81.07063	9.1
82.07376	0.8
83.01322	2.2
83.04988	4.9
83.08605	3.8
85.06544	6.4
91.05480	7.0
93.06467	1.3
93.07049	15.6
95.04973	100.0
95.08607	8.7
97.06525	16.9
97.10139	2.7
99.04464	14.3
99.07478	1.5
99.08088	14.7
100.11256	7.7
101.06020	2.2
103.05446	1.8
105.07025	7.3
107.08602	18.1
109.02880	2.5
109.06519	12.7
109.10141	7.6
111.04468	1.5
111.08086	5.5
113.06033	1.4
113.09663	1.1
115.07584	1.7
119.08579	4.0
121.06516	2.5
121.10152	20.1
123.04417	1.1
123.08055	3.4
123.11694	4.6
125.02330	1.7
125.09631	8.0
127.03911	3.4
127.07554	4.1
131.08565	4.1
133.10126	21.3
135.08061	5.9
135.11714	6.6
137.05954	2.0
137.09590	2.9
139.07526	1.9
139.11221	5.4
143.10664	3.4
145.10118	2.9
147.11700	4.8
149.05936	1.9
149.09618	9.4
149.13257	6.1
151.11140	3.7
153.01854	13.1
153.09114	26.7
156.09271	0.9
158.10899	1.4
163.11192	1.6
163.14824	4.8
165.12775	2.1
166.40428	1.0
167.07051	13.3
171.10178	13.2
173.13284	9.6
177.05453	3.2
179.07030	1.3
181.05032	1.2
191.14319	10.9
209.08058	3.2
209.11951	1.3
209.15347	25.3
227.05479	2.5
227.08971	1.4
227.16370	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
51.67445	0.8
53.03928	2.0
53.70691	0.9
55.01853	2.7
55.05515	5.6
57.03437	5.4
57.07059	3.3
59.04980	2.9
65.03905	1.3
67.05511	7.2
69.03416	4.0
69.06759	0.9
69.07070	8.5
70.21526	3.1
71.04990	18.7
73.02908	1.4
73.06536	2.1
75.04467	1.7
78.04697	2.4
79.05496	9.0
81.03347	1.1
81.07066	10.9
81.26179	0.9
83.04957	4.2
83.08596	4.4
85.06547	11.7
91.05475	8.2
91.50555	0.9
93.06544	1.3
93.07050	14.0
95.04971	100.0
95.08605	8.1
97.05989	1.6
97.06535	15.3
97.10136	4.2
98.21136	2.6
99.03835	1.2
99.04456	17.8
99.07494	1.5
99.08095	23.1
100.11227	2.7
103.05436	1.9
105.07040	7.5
105.38799	1.0
106.08306	1.0
107.04953	2.3
107.08607	16.0
109.02879	1.3
109.05895	1.2
109.06522	12.7
109.10152	7.1
111.04424	2.2
111.08054	4.3
113.09627	1.0
115.07574	2.5
117.03369	1.2
117.06912	1.3
119.04872	1.2
119.08552	4.4
121.06499	8.9
121.10149	13.5
123.04433	5.0
123.08019	1.5
123.11702	5.3
125.09644	10.6
127.07566	7.5
128.06213	1.1
129.07062	1.0
131.04883	3.4
131.08556	7.9
133.09236	1.5
133.10139	25.0
135.08022	3.3
135.11646	3.9
137.05946	4.7
139.11154	8.0
140.04625	3.0
141.05516	1.1
143.10670	6.4
145.02733	1.2
145.10107	2.9
147.11716	5.2
148.05147	1.3
149.06021	6.0
149.09589	3.1
149.13272	5.9
151.11119	3.4
153.09108	25.8
155.07057	3.3
159.04404	2.7
163.03979	1.2
163.11147	2.3
163.14775	3.7
165.05428	1.2
165.12721	2.8
167.07043	47.1
167.10576	2.0
171.10181	14.3
173.13281	10.8
177.04279	1.0
177.05478	11.4
179.86139	1.0
181.04912	3.1
191.10802	2.2
191.14273	9.2
209.08102	4.3
209.11758	3.9
209.15338	17.0
227.07031	1.8
227.10764	1.8
227.12778	2.2
227.16368	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
51.09088	0.9
53.03933	1.8
55.01859	2.0
55.05512	10.7
57.03419	3.7
57.07049	4.3
57.07300	0.9
59.04985	2.3
65.03926	1.6
67.04865	1.0
67.05509	6.1
69.03420	6.4
69.07075	7.5
69.66628	5.4
71.04646	1.3
71.04995	16.6
73.06530	4.0
75.04459	1.0
78.04707	1.7
79.05486	7.6
81.03429	6.6
81.07061	10.3
83.04983	6.7
83.08623	5.8
85.06541	10.2
89.03886	1.5
91.05486	12.7
93.06557	1.2
93.07047	15.3
95.04972	93.6
95.08618	9.6
96.05203	0.9
97.02886	1.5
97.06005	1.0
97.06531	12.1
97.10140	3.3
98.20842	2.2
98.21399	1.6
98.97577	1.7
99.04460	13.0
99.08100	21.7
100.11266	15.8
101.47501	1.1
103.05453	7.3
105.04480	1.3
105.07051	7.1
106.04175	2.2
107.04958	4.9
107.08586	12.3
109.02837	4.1
109.06525	15.2
109.10150	6.3
111.04407	1.2
111.08096	5.9
115.07534	3.7
117.06987	1.4
119.04884	2.1
119.08607	5.0
121.06516	11.9
121.10137	11.8
122.94324	1.1
123.04441	8.7
123.08068	2.4
123.11652	4.1
124.05159	3.0
125.02312	2.3
125.09631	9.7
127.03934	7.0
127.07561	8.0
131.04910	6.2
131.08594	4.7
133.02843	1.2
133.10133	22.7
134.03598	2.4
135.04341	2.1
135.07993	3.9
135.11652	3.7
137.05981	9.5
137.09602	1.5
139.11177	9.8
140.04649	3.3
141.09074	1.1
143.10666	7.0
145.02791	1.4
145.10045	2.0
147.04330	1.6
147.11662	5.2
148.05067	2.9
149.06004	14.2
149.09590	3.9
149.13272	5.2
151.03870	1.7
151.11143	3.4
152.04674	2.3
153.01904	5.0
153.05412	1.6
153.09114	26.8
153.12657	1.1
155.06944	2.3
159.04384	1.9
163.03842	4.0
163.14783	3.7
165.05443	1.3
165.12709	1.8
167.07050	100.0
168.07350	1.9
171.10213	14.7
173.13272	9.2
176.04652	1.1
177.04080	1.7
177.05481	26.8
181.04971	5.9
181.08554	1.5
191.06969	1.7
191.10550	2.7
191.14301	7.2
195.06557	1.2
209.04369	4.2
209.08099	7.5
209.11658	3.4
209.15257	12.6
227.08990	2.4
227.16345	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01866	3.8
55.05515	12.3
57.03424	3.0
57.07079	3.0
59.04984	3.5
65.03928	3.2
67.05508	7.3
69.03438	8.8
69.07079	8.2
69.73031	5.4
71.04997	15.2
73.02923	9.5
73.06547	3.3
78.04711	3.8
79.05494	8.1
81.03420	13.7
81.07056	9.6
83.04985	9.4
83.08627	4.8
83.35896	0.9
85.02901	2.7
85.06554	6.2
91.05489	9.7
93.07046	16.0
95.04971	57.9
95.08604	10.5
97.02876	3.2
97.06531	16.0
97.10177	2.4
99.04463	14.0
99.08098	12.1
100.11259	20.4
101.06013	1.0
103.05486	7.0
105.07020	8.0
106.04178	2.5
107.04966	3.3
107.08600	16.8
109.02890	6.0
109.06523	10.8
109.10155	6.6
110.03668	1.8
111.04465	1.2
111.08077	3.9
111.11668	1.1
113.09667	1.7
115.07560	15.4
119.04959	1.9
119.08577	6.6
121.06512	13.8
121.10152	12.8
122.03644	1.2
123.04412	10.4
123.08073	4.3
123.11681	4.0
124.05200	2.4
125.02328	3.9
125.06094	1.5
125.09647	5.4
127.03926	8.0
127.07583	6.5
131.04935	5.9
131.08589	5.8
133.02863	1.9
133.10132	24.2
134.03671	2.1
135.04420	1.6
135.08064	3.1
135.11674	3.8
137.05962	8.9
137.09612	2.2
139.07498	1.5
139.11189	8.5
140.04688	16.1
142.02570	1.2
143.10712	1.7
145.10115	2.3
147.04362	1.3
147.11682	4.5
148.05223	2.0
149.05981	15.2
149.09592	4.5
149.13258	6.6
151.03870	1.4
151.11214	4.3
152.04662	2.0
153.01817	1.6
153.05496	1.3
153.09126	16.5
153.12715	1.3
155.07034	13.1
159.04396	2.2
163.11185	2.0
163.14868	4.6
165.05418	1.4
165.12733	1.3
167.07048	100.0
168.07426	1.1
171.10213	7.3
173.08089	1.5
173.13300	9.9
177.05460	25.3
178.06267	1.1
181.04973	23.8
181.08669	2.0
186.99046	1.0
191.07129	1.3
191.10568	1.7
191.14294	8.2
199.07455	1.2
199.11076	1.2
209.08075	10.1
209.11636	1.5
209.15132	8.9
214.52109	1.0
227.09052	9.5
227.16252	24.3
244.70067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	4.8
55.01859	5.4
55.05512	20.1
57.03442	14.2
57.07066	5.4
59.04975	4.3
59.47742	1.8
60.88318	1.5
67.05230	1.5
67.05503	19.5
69.03434	8.2
69.07073	16.6
70.72190	1.7
70.72552	5.4
71.04650	2.5
71.04997	39.3
73.06548	3.1
75.04463	6.3
79.05495	14.6
81.03416	8.4
81.07061	35.9
83.04969	12.5
83.08627	11.0
85.06549	12.7
90.01876	1.7
91.05477	12.0
93.07050	43.6
95.04971	100.0
95.08051	2.4
95.08611	39.9
97.06540	24.9
97.10162	7.8
99.04465	40.4
99.08093	29.3
100.09380	2.3
100.11256	23.2
105.07034	21.3
107.04933	2.0
107.08603	35.6
107.54124	1.9
109.06537	16.7
109.09449	2.6
109.10157	28.9
109.23592	1.6
110.06033	2.2
111.04453	2.9
111.08068	5.7
111.11719	1.9
115.07555	6.9
119.08582	15.1
121.06487	5.8
121.10147	33.2
123.04425	3.7
123.08045	10.5
123.11700	12.8
125.09652	12.5
127.03845	2.4
127.07537	10.2
127.11185	2.0
131.04945	1.9
131.08560	8.0
133.10130	40.7
135.07983	4.3
135.11684	11.2
137.05948	3.4
137.09578	7.9
139.11189	16.9
141.11513	3.0
143.10652	5.3
143.20004	1.8
145.10112	3.5
147.11661	13.7
149.05975	5.8
149.09610	5.4
149.12170	3.0
149.13268	27.2
151.11189	28.4
153.09113	30.5
153.12732	6.0
155.07043	2.1
158.10825	2.4
159.04326	2.1
161.13243	14.5
163.11156	3.8
163.14832	8.8
163.64392	2.9
165.12782	4.4
167.07054	35.8
167.14328	8.2
169.08624	8.4
171.10155	15.6
173.13266	12.9
177.05460	7.3
179.14296	5.3
181.05003	2.5
182.15356	4.5
183.13808	2.9
191.14333	14.4
197.15379	4.8
199.18060	4.8
209.08092	3.8
209.11606	2.9
209.13431	3.7
209.15335	46.8
210.14943	2.4
213.17818	5.9
227.06982	2.7
227.10620	6.1
227.16385	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	3.8
55.05509	11.8
57.03436	9.2
57.07058	3.1
59.04996	2.9
60.67350	1.4
67.05511	12.0
69.03407	5.1
69.07060	9.9
69.75719	8.8
71.04661	2.2
71.04999	33.2
73.06548	3.1
75.04461	2.1
79.05508	9.8
81.03414	4.0
81.07055	28.1
83.04993	8.0
83.08613	7.2
85.06540	9.8
91.05479	8.9
93.07044	33.5
95.04971	100.0
95.08051	2.1
95.08597	23.8
96.05299	1.4
97.02878	1.8
97.06531	18.0
97.10149	2.7
99.04457	26.0
99.08101	20.4
100.11264	11.1
104.25565	1.4
105.07030	12.8
107.08595	27.9
109.02933	2.2
109.06525	16.4
109.10166	20.8
110.05982	2.0
111.08076	4.9
115.07622	6.9
117.06983	1.8
119.08587	13.5
121.06502	3.7
121.10147	22.7
123.04462	2.4
123.08037	5.0
123.11720	11.6
125.09616	12.8
127.07526	6.7
131.08554	7.9
133.09224	2.5
133.10129	31.0
135.08025	3.8
135.11681	5.5
137.05942	2.7
137.09570	4.8
139.11206	13.1
143.10661	5.6
145.10091	3.5
147.11702	8.8
149.05980	3.9
149.09618	2.6
149.13254	18.9
151.11179	18.1
153.09109	27.2
153.12677	1.6
161.13271	6.4
163.11145	1.5
163.14798	5.3
163.64375	1.9
164.41806	1.4
165.12788	3.7
167.07054	20.7
167.14325	2.6
169.08597	2.0
171.10170	15.2
173.13228	11.3
177.05414	6.5
179.14279	3.3
181.04965	1.8
182.15300	2.6
183.13773	2.0
191.14284	12.2
197.15359	1.9
209.08118	3.1
209.11794	3.3
209.15349	31.4
213.17752	4.1
227.10597	3.4
227.16393	55.0
238.78085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.02367	1.0
53.03944	2.6
55.01859	3.8
55.05507	9.2
57.03415	1.8
57.07080	6.3
59.77739	1.0
65.03922	2.4
67.05167	1.4
67.05502	26.8
67.18199	0.9
69.03420	3.5
69.07060	7.8
69.59480	2.2
69.59888	4.3
71.04993	18.5
73.02934	1.3
73.06542	1.3
78.04706	2.6
79.05489	26.6
81.03406	3.3
81.07052	6.4
83.04979	12.1
83.08614	1.5
85.06542	88.8
91.05482	24.3
93.06468	1.9
93.07043	27.6
95.04971	12.6
95.08605	3.4
97.02879	1.9
97.06532	5.6
98.20992	3.2
99.04430	1.1
99.08089	4.5
100.11248	8.3
103.05463	6.8
105.03391	1.3
105.04498	1.4
105.06369	1.6
105.07032	18.0
106.04176	2.5
107.04288	1.2
107.04961	13.7
107.08594	29.7
109.02863	3.8
109.06518	6.1
109.10124	1.5
111.04444	10.6
111.08041	1.6
113.06017	1.1
115.05460	1.1
117.07022	5.2
119.04934	2.3
119.08562	15.0
121.06509	24.8
121.10132	20.9
123.04450	9.2
123.08066	2.1
123.11703	2.2
123.45942	0.9
124.05204	1.2
125.02366	2.7
125.05976	7.3
125.09656	1.6
127.03941	6.5
127.07565	1.1
129.06960	5.3
130.07759	1.7
131.04895	5.6
131.08569	63.0
132.05511	1.0
133.10123	4.4
134.03569	1.3
135.04355	2.7
135.08017	3.4
135.11691	6.3
137.05975	9.7
137.09602	7.0
139.07539	2.7
139.11102	1.4
140.04649	2.9
141.05414	1.6
143.08513	1.2
145.06459	1.2
145.10118	26.0
147.08051	5.8
148.05185	1.6
149.05991	18.0
149.09618	63.6
151.03860	1.4
151.11209	1.8
152.04677	1.6
153.05501	4.8
153.09050	1.8
155.07043	5.4
155.08546	0.9
159.04408	4.0
163.07520	3.1
163.11180	22.8
165.05438	1.2
165.09137	9.4
167.07040	100.0
167.10677	30.3
171.10158	1.9
173.09590	5.5
177.05475	24.2
178.06032	1.4
179.07014	1.4
179.10657	1.4
181.04951	1.5
191.10675	52.1
194.05714	1.4
197.11719	1.7
209.08366	5.7
209.11725	46.8
227.07045	2.0
227.09146	3.8
227.12727	17.9
227.17769	1.5
229.00165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.61283	0.6
53.04025	1.5
53.05483	0.6
55.01685	1.4
55.01966	2.7
55.05319	1.4
55.05605	7.0
57.03506	1.3
57.07152	1.4
65.04012	0.9
67.05605	6.8
69.03506	1.5
69.06767	1.2
69.07166	5.6
70.29652	2.8
71.05080	1.7
73.03001	1.4
78.04818	3.2
79.05100	1.0
79.05594	13.5
81.03519	1.9
81.07159	8.9
81.18821	0.7
83.05096	2.2
83.08717	4.7
85.06647	3.9
89.03983	1.2
91.05582	8.4
93.07051	16.9
95.04976	4.8
95.08609	14.9
97.01155	0.6
97.02941	1.4
97.06638	2.7
97.10258	2.4
98.21194	1.3
99.04548	2.2
99.08154	0.9
100.11256	4.0
102.36675	0.7
103.05465	6.7
105.03444	0.8
105.04603	1.0
105.07038	3.6
105.75438	0.7
106.04262	2.0
107.04963	7.0
107.08597	10.4
109.02948	1.1
109.06590	1.5
109.10245	2.8
111.04507	1.2
117.03429	1.1
117.06354	0.8
117.07004	3.5
119.04958	1.4
119.08576	4.3
120.05836	1.0
120.25587	0.6
121.06516	14.1
121.10145	6.8
121.10868	0.6
122.03734	1.4
123.04447	9.0
124.05289	2.7
125.06051	1.6
125.09691	2.0
128.06343	0.8
129.07063	2.4
131.04936	6.0
131.08640	2.4
131.60208	0.6
133.02887	1.0
133.06589	0.7
133.10197	1.1
134.03673	1.7
135.03496	0.6
135.04492	1.9
135.08078	1.3
135.11696	14.9
137.05983	8.2
139.07495	1.1
140.04713	3.9
141.07016	1.0
142.07825	0.8
143.08621	3.0
143.10690	0.6
145.06464	1.0
145.10143	10.0
147.04448	1.0
148.05229	1.8
149.05981	11.3
149.09680	1.8
149.13348	1.0
151.03946	1.6
152.04713	2.6
155.07054	1.8
155.08490	0.9
156.09303	1.1
157.10107	1.5
159.04401	3.9
162.03134	1.0
163.03925	1.0
163.11197	24.0
167.07050	100.0
169.08659	0.7
171.07979	0.9
171.11702	2.2
176.04774	0.8
177.05469	24.9
178.06017	0.9
181.04948	1.3
181.08646	0.9
181.10117	0.9
181.12283	3.8
185.09586	1.7
185.13232	1.0
191.07051	1.5
191.10587	1.5
191.17867	0.8
194.05693	1.2
199.11093	1.6
199.14803	1.2
209.08081	6.3
209.11539	1.5
209.18773	0.9
221.74205	0.7
227.06865	2.4
227.10614	3.9
227.12631	24.8
227.14243	1.8
227.17801	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	5.5
55.01864	5.0
55.05518	10.9
57.03443	8.7
57.07074	3.2
59.05000	1.7
59.29967	1.3
65.03939	4.7
67.05512	8.4
68.99763	1.4
69.03455	7.9
69.07070	4.5
69.76521	7.7
71.05001	8.7
73.02917	2.6
77.03954	1.5
78.04700	3.2
79.05502	14.1
81.03423	7.4
81.07059	9.2
83.04987	10.1
83.08612	3.4
85.02902	2.5
85.06552	19.8
85.57232	1.2
89.03884	1.7
91.05486	15.3
93.03399	3.5
93.07056	17.7
95.04983	21.8
95.08616	10.0
97.02902	2.0
97.06538	4.5
97.10169	2.4
98.20843	3.0
98.21456	2.8
98.77719	1.4
99.04452	12.5
99.08098	3.1
100.11263	16.1
103.05480	10.6
105.03371	1.5
105.04484	1.5
105.07036	8.1
106.04181	3.7
107.04962	10.7
107.08600	15.7
109.02857	4.2
109.06511	4.3
109.10164	7.3
111.04446	12.7
117.03348	1.4
117.07053	1.9
117.13854	1.3
118.85957	1.3
119.04965	1.9
119.08572	5.9
120.05710	2.4
121.06525	23.0
121.10203	9.4
123.04438	19.7
123.07999	1.5
123.11692	4.3
124.05244	3.6
125.02361	2.0
125.05982	5.1
125.09613	3.1
125.73308	1.3
127.03905	4.9
131.04968	6.6
131.08571	10.2
133.10167	7.1
134.03633	2.9
135.04454	3.4
135.08044	1.7
135.11717	1.4
137.05984	7.7
137.09624	3.7
139.03908	11.3
139.11165	2.1
140.04689	9.1
141.05482	1.8
145.10110	6.9
147.04395	2.3
147.08072	1.5
148.05197	13.2
149.05995	23.8
149.09650	14.2
149.13240	3.1
151.03932	4.9
151.11134	3.2
152.04716	2.9
153.01839	1.8
153.05447	4.8
153.09103	1.8
155.03337	1.3
155.07018	5.5
157.05022	1.4
159.04424	4.0
163.03958	2.1
163.07484	1.8
163.11205	3.8
163.14851	1.8
165.05461	2.4
165.09122	2.2
167.03397	4.3
167.07059	100.0
167.10715	7.0
169.12372	1.6
170.05821	3.1
171.06555	5.9
171.11729	1.8
171.14854	2.2
173.13316	2.8
176.04643	2.9
177.05478	30.1
179.14276	1.6
181.05023	6.8
181.08609	2.1
183.06580	6.8
191.07033	2.4
191.10709	9.7
191.14455	2.7
194.05742	13.1
195.06543	49.6
195.07974	1.9
197.05986	1.8
199.11205	1.6
209.08112	70.4
209.11507	8.9
209.15192	7.3
212.08339	1.5
227.07016	2.9
227.08809	12.4
227.10764	4.7
227.12762	2.5
227.16371	4.7
227.17952	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	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01884	1.1
55.05511	2.2
57.03422	0.5
57.07064	0.7
58.01726	0.4
58.43429	0.4
65.03931	0.4
66.32799	0.4
67.05505	2.8
69.03418	0.9
69.07061	1.8
69.32681	0.4
70.01198	1.8
71.04996	2.7
73.02904	0.5
73.06525	0.5
77.03911	0.5
78.04720	3.9
79.05493	5.1
81.03407	1.4
81.07053	1.8
83.04975	2.1
83.08595	0.5
85.06540	9.7
89.03915	1.1
91.05476	9.3
93.07047	6.5
94.04174	0.7
95.04972	5.0
95.08601	1.0
96.38515	0.4
97.06511	1.1
98.20786	0.5
98.21350	0.8
99.04482	0.6
99.08080	1.3
100.11260	2.5
103.05470	7.6
105.04496	0.5
105.07055	2.0
106.04166	1.7
107.04961	6.2
107.08602	3.4
109.02879	0.8
109.06508	1.7
109.10085	0.4
111.04445	1.3
116.98629	0.5
117.03372	1.4
117.07011	0.7
119.04946	1.6
119.08562	1.3
120.05736	0.7
121.06519	13.3
121.10149	3.5
122.03636	1.4
123.04432	9.0
124.05209	2.0
125.02305	0.7
125.05985	1.2
125.09623	0.5
127.03916	1.2
127.68333	0.4
129.06975	1.0
131.04916	6.5
131.08554	6.2
132.86395	0.4
133.02870	1.0
133.10144	0.7
133.44983	0.5
134.03683	2.3
135.04419	1.7
135.08109	0.6
135.11728	0.8
137.05994	8.1
137.09596	1.0
139.11185	0.5
140.04646	2.1
145.02838	1.7
145.09190	0.4
145.10106	2.7
147.04413	1.2
147.08032	0.7
148.05154	2.2
149.05989	16.1
149.09631	6.4
151.03899	1.4
151.11200	0.5
152.04681	1.9
153.01817	1.5
153.09100	1.0
155.07016	1.9
158.99635	0.5
159.04430	3.6
162.03107	0.7
163.03938	1.2
163.07533	1.2
163.11197	2.8
165.05507	0.8
165.09152	0.9
166.06279	0.6
167.07043	100.0
167.10655	3.3
168.07408	1.3
173.09589	0.9
176.04707	1.2
177.05473	24.6
178.06177	0.8
179.06987	0.5
180.07896	0.6
181.04915	0.8
181.08589	1.3
191.07057	1.7
191.10664	5.1
194.05775	1.2
195.06601	0.6
209.08112	6.5
209.09930	0.7
209.11690	4.6
227.09114	1.4
227.12793	1.7
227.16425	0.8
233.51038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.14090	0.7
53.03945	1.9
55.01880	6.1
55.05496	2.9
57.03438	0.8
57.74545	0.7
59.89584	0.6
64.05553	0.7
65.03946	6.4
67.05505	3.5
69.03422	3.7
69.07066	0.8
69.51656	4.3
73.02921	39.1
79.05481	2.6
81.03431	4.1
81.07031	1.0
82.04177	2.2
83.04968	2.5
84.04502	1.0
85.02915	4.9
85.06523	1.0
91.05488	3.3
93.03389	1.8
93.07027	2.0
95.04967	7.0
97.02901	1.1
97.06532	2.3
98.06023	1.1
98.20890	2.0
98.21471	1.3
99.04454	1.1
100.11265	3.2
103.05396	0.8
105.03400	2.0
105.04500	1.1
107.04956	1.0
107.08612	0.8
108.02056	1.2
109.02869	3.0
109.06524	1.5
110.03680	3.5
111.04456	2.4
121.06522	3.5
123.00785	0.7
123.04430	9.6
125.02389	3.3
125.05991	3.0
127.03919	2.6
131.05019	0.8
135.07974	0.7
137.05998	1.4
138.03104	2.9
140.04688	49.5
140.10689	1.2
142.02606	2.0
149.05972	2.1
153.01848	1.2
153.05434	3.7
155.07034	58.5
160.19162	0.9
167.07033	11.6
171.06560	4.7
173.08109	1.9
177.05449	2.8
179.07053	3.1
181.04964	100.0
182.05470	0.8
197.28757	0.7
209.04494	2.3
209.08099	19.2
227.09103	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02381	0.4
53.03952	2.3
55.01862	0.9
55.05511	3.5
56.81713	0.4
57.07070	0.5
65.03960	0.5
67.05506	1.0
69.03422	1.5
69.07061	1.3
71.00468	0.7
71.00797	0.5
71.04989	1.0
73.02905	1.6
73.06557	1.0
77.03934	0.5
78.04701	2.8
79.05489	2.6
81.03429	3.0
81.07040	1.3
82.32175	0.4
83.04994	3.2
83.08607	1.4
85.06517	0.6
89.03903	0.9
90.28344	0.4
91.05474	7.6
93.07041	5.2
94.04166	0.8
95.04973	4.5
95.08611	0.8
96.05759	0.5
97.02914	0.8
97.06507	1.0
98.21001	0.6
98.93340	0.4
99.04502	0.8
99.08082	0.8
100.11250	9.3
103.05476	7.2
105.03374	0.9
105.07033	0.9
106.04153	2.6
107.04965	3.7
107.08577	1.1
109.02877	1.9
109.06512	1.5
109.10148	0.5
117.03355	1.1
119.04943	1.3
119.08549	0.5
121.06509	11.6
121.10117	0.7
122.03645	1.2
123.04430	8.1
124.05243	2.5
125.02361	1.5
127.03908	1.9
131.04935	6.3
131.08583	0.5
133.02870	1.1
133.10141	0.6
134.03647	1.6
135.04439	1.3
137.05983	9.1
140.04684	3.7
141.31216	0.4
145.02856	1.1
145.10046	0.5
146.99637	0.5
147.04419	0.9
148.05214	1.9
149.05988	15.1
149.09695	0.6
151.03894	1.4
152.04709	2.5
153.05484	0.5
153.09106	1.5
155.07037	3.1
159.04417	3.5
163.03929	1.1
165.05515	1.2
166.06273	0.5
167.07045	100.0
168.07420	0.9
176.04733	0.7
177.05475	25.8
179.07066	0.5
181.04971	3.2
181.08592	1.2
191.07089	1.0
194.05722	1.1
195.06618	0.8
209.08096	7.1
209.16544	1.4
227.09067	2.5
227.17834	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	225.1849
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
53.03930	1.2
55.01866	1.6
55.05510	13.4
57.03428	0.6
57.07077	21.9
67.05507	21.7
69.07071	17.8
71.04996	46.5
71.08633	25.5
71.37525	1.2
79.05493	4.6
81.07063	30.5
83.04951	0.6
83.08626	7.8
85.02940	0.6
85.06540	3.3
85.10186	13.9
91.05478	2.9
93.07036	2.6
95.04972	0.6
95.08612	35.7
95.30735	0.5
97.06538	1.4
97.10174	7.9
99.04481	0.8
101.95020	1.0
105.03391	2.9
105.07014	2.2
107.04983	0.5
107.08593	1.8
109.06499	0.8
109.10165	14.1
110.42776	0.5
111.11703	1.6
113.05933	0.6
119.08591	1.9
119.96081	0.9
120.05538	0.7
121.10146	1.5
123.08115	1.0
123.11713	7.4
124.82800	0.6
126.14584	0.5
133.10135	3.0
137.13246	2.6
147.11647	1.3
149.13310	0.8
151.11241	0.7
155.14281	4.5
163.89691	0.6
165.16284	0.7
169.10165	1.0
172.56696	0.6
183.11702	0.7
189.16405	2.4
197.19019	100.0
198.19398	1.4
207.17450	1.1
225.09093	2.1
225.11145	1.0
225.14859	1.7
225.16672	1.0
225.19875	0.6
226.09717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50922	2.8
53.03939	10.9
55.01874	6.9
55.05515	45.6
56.96566	43.6
57.03432	12.2
57.07072	5.8
59.04998	8.2
61.02907	3.9
67.05508	8.1
69.03426	28.6
69.07069	29.2
70.06591	19.1
71.04994	11.8
71.08655	3.8
71.55219	5.5
71.95276	5.3
73.02917	21.7
73.06554	67.8
74.33151	2.7
79.01875	4.4
79.05492	10.0
81.03418	35.0
81.07057	11.0
83.04978	26.6
83.08628	9.8
84.04502	16.4
84.96030	4.6
85.02911	26.6
85.06535	5.0
87.44867	3.1
91.05465	16.2
93.07054	11.6
95.04959	13.5
95.08587	9.4
95.81773	3.1
97.02885	28.0
97.06512	6.6
97.10176	8.5
98.97585	76.2
99.04455	10.1
100.07607	3.0
100.11261	12.7
101.06046	3.2
103.05469	5.6
105.02048	6.3
105.07067	3.6
107.04955	15.9
107.08610	6.8
109.02881	21.3
110.01283	8.5
110.03108	3.2
110.97590	6.1
111.04425	6.6
112.99137	8.1
113.97147	3.1
114.02603	16.4
116.07085	17.4
116.98624	45.6
119.01870	7.3
119.04903	4.5
119.08567	4.0
121.06517	11.5
123.04433	11.7
124.05182	4.1
125.02332	13.7
127.03926	36.7
128.02316	9.3
128.98616	10.9
131.00159	17.2
131.01883	3.4
131.04916	6.7
131.08589	5.6
132.02567	3.9
134.06013	8.0
134.99681	17.8
135.08087	3.4
137.05992	12.1
140.02322	4.4
140.04671	6.0
143.00163	9.1
145.01706	3.6
146.99640	6.4
147.04372	3.7
147.05536	3.3
149.01224	15.6
149.04851	4.7
149.05974	19.8
152.04715	3.8
152.07057	8.6
153.01820	13.6
153.03108	11.3
153.05548	2.9
155.02812	6.5
155.04668	7.3
155.07111	6.8
157.84044	3.0
158.99649	11.9
159.03201	3.9
161.01228	17.3
163.03951	4.7
165.00725	4.6
166.04958	3.4
167.02171	5.1
167.07047	100.0
168.03653	11.2
168.05103	3.0
169.04436	9.0
173.01268	5.9
175.02652	3.3
177.00702	13.9
177.04141	29.0
177.05498	25.1
177.54337	3.2
178.04877	7.9
179.02278	5.2
181.03542	3.1
181.05006	6.9
181.08559	3.7
182.04446	3.1
185.02852	4.8
186.04666	35.0
189.00645	5.0
191.02295	5.6
197.55373	4.3
201.00783	4.0
204.04659	3.6
209.03374	17.2
209.08110	8.3
209.11563	5.3
210.03912	5.2
211.05212	2.9
218.06306	21.7
219.01767	8.1
227.04361	14.8
227.06792	61.7
227.09192	23.3
227.14368	4.9
227.20018	4.1
227.57011	4.7
228.05026	22.9
229.00041	4.1
236.07269	11.4
237.02850	9.8
247.58269	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	225.1849
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
52.06302	0.5
55.01860	1.4
55.05270	0.6
55.05512	10.5
57.07078	18.0
59.05004	0.8
65.24724	0.5
67.05507	21.8
67.05869	1.1
69.07070	14.9
71.04995	43.7
71.08228	0.8
71.08630	24.9
79.05486	2.5
81.07062	28.4
83.04973	0.8
83.08631	8.1
85.06532	2.8
85.09654	0.5
85.10183	12.4
91.05475	2.9
93.07040	2.3
95.08608	34.4
97.06532	1.7
97.10174	6.3
98.21049	0.7
99.04510	0.5
99.08074	0.8
105.03403	0.5
105.07050	2.7
107.08604	1.6
109.06507	0.6
109.10153	14.5
111.11692	1.7
113.05968	0.6
119.08561	3.4
121.10149	1.3
123.08057	0.8
123.11707	6.2
131.08545	0.6
133.10139	3.1
135.11696	0.6
137.09575	0.9
137.13258	2.3
147.11763	1.2
151.14784	0.8
155.08620	0.5
155.14297	4.0
179.18057	0.6
189.16380	2.3
197.19012	100.0
198.19397	1.2
225.09076	0.6
225.14789	1.1
225.18445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78790	0.6
52.96246	0.7
55.01860	0.8
55.05513	10.7
57.03421	0.7
57.07077	20.5
59.56352	0.6
65.03934	0.5
67.05508	22.7
67.05869	1.2
69.07072	17.2
70.05241	2.3
71.04996	45.2
71.08635	26.5
79.05491	3.1
81.07059	31.0
83.08630	6.6
85.06526	2.3
85.09715	0.9
85.10188	12.7
90.10536	0.6
91.05472	3.1
93.07026	2.0
95.05009	0.7
95.08612	33.0
97.06528	1.5
97.10168	6.6
98.21194	1.3
99.04469	0.6
99.08132	0.8
105.03371	0.8
105.07029	1.9
107.08585	2.0
109.06528	0.8
109.10159	14.9
111.08096	0.9
111.11701	1.4
119.08591	3.0
121.10155	1.0
123.08083	1.8
123.11693	7.3
123.25540	0.6
133.10179	2.8
137.09592	1.3
137.13268	2.8
147.11716	2.0
155.08617	0.6
155.14278	3.8
163.14798	0.9
165.16420	1.0
169.09973	0.7
189.16457	2.7
197.19016	100.0
198.19322	1.2
207.17459	0.9
225.09030	1.3
225.14636	1.4
225.16615	0.8
241.92242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01869	2.3
55.05503	8.3
57.07080	8.9
59.04997	11.8
67.05505	15.0
69.07063	19.1
69.53312	12.3
71.04995	100.0
71.08624	2.4
79.05471	10.9
81.07057	63.2
83.04984	4.4
83.08633	5.4
85.06544	8.1
91.05484	14.5
93.07048	98.6
95.08610	49.6
97.06536	4.0
97.10155	2.8
98.21364	3.4
101.95013	2.2
105.03391	4.7
105.07034	33.0
107.08595	56.3
107.09286	3.7
109.06528	5.7
109.10154	29.5
111.08081	18.8
111.11709	2.3
119.08579	18.2
121.10135	29.6
121.12674	1.6
123.08030	2.4
123.11711	26.8
125.09622	8.4
127.31216	1.7
133.10133	58.2
135.11676	5.5
137.09586	3.0
137.13280	13.7
137.97157	1.6
144.59360	1.8
146.44159	1.8
147.11691	33.4
149.13261	88.8
151.11185	31.3
151.12326	2.2
153.07135	2.0
155.14293	5.0
160.98672	2.0
161.13246	2.7
165.12685	2.1
167.14323	74.7
183.11661	2.6
189.16383	55.6
189.18066	3.1
205.85745	2.0
207.17433	46.6
220.43251	1.8
225.09189	2.6
225.12743	3.1
225.14514	8.9
225.16501	2.9
225.18401	40.8
226.09770	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03942	1.0
54.65268	0.8
55.01877	1.0
55.05518	6.4
57.03436	2.2
59.04992	1.2
63.15500	0.9
65.03941	1.7
67.05508	6.5
69.03429	3.0
69.07066	2.1
69.22311	0.9
69.50994	5.7
71.04984	2.3
79.05487	4.9
81.07044	7.4
82.66863	1.0
83.04984	53.9
83.08618	1.9
85.02910	2.2
85.06539	2.2
87.04447	1.8
91.05494	5.3
93.07063	6.3
95.04969	5.8
95.08602	13.4
95.90750	1.0
97.06548	1.8
98.20757	2.0
98.21414	2.1
99.04443	1.1
99.08101	15.4
101.06020	1.3
105.03419	1.8
105.07043	5.3
107.04958	2.0
107.08606	13.4
109.06521	46.3
109.10157	3.2
111.04443	23.9
111.08054	2.1
112.97892	0.9
113.09619	1.0
119.08581	6.3
121.06526	5.3
121.10139	8.5
123.04425	2.0
123.08073	100.0
123.11716	3.8
124.85945	0.9
125.06033	1.9
125.09628	11.7
127.07529	3.3
131.08556	1.0
133.10141	2.8
135.08073	1.5
135.11650	1.3
137.06007	3.3
137.09625	3.1
137.13237	1.4
138.26570	0.9
139.11195	3.7
141.09001	1.8
145.10114	1.5
147.08147	1.2
147.11665	5.6
149.09634	12.3
151.07564	5.2
151.11186	4.5
161.13255	2.6
163.03883	1.1
163.11212	4.1
165.05516	1.8
165.12781	10.7
167.07068	3.8
167.10689	12.0
169.08600	1.6
180.04192	4.1
181.12239	1.5
189.12785	2.8
193.04930	2.4
207.06525	2.2
207.13795	15.8
225.09151	2.7
225.14830	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	225.1849
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03937	3.2
55.05506	13.8
57.07071	11.8
59.05003	12.3
67.05501	15.0
69.03427	3.3
69.07070	24.6
69.93469	9.1
71.04999	65.4
79.05489	13.0
81.07057	58.1
83.04987	5.0
83.08621	11.7
85.06551	3.9
86.20293	2.1
91.05483	15.5
93.07044	91.8
95.04975	3.4
95.08610	65.1
97.06539	4.1
97.10194	3.4
98.20894	2.8
98.21442	3.0
99.04496	2.2
101.06023	2.5
105.03396	3.8
105.07034	34.5
107.04986	1.9
107.08604	68.7
109.06520	4.7
109.10157	34.0
111.08081	24.9
111.11749	2.6
119.08575	13.9
121.10150	29.3
123.08060	4.6
123.11707	41.6
125.09650	8.8
133.10136	44.0
137.13235	9.2
145.96722	2.2
147.11691	39.0
149.13261	100.0
151.11182	19.1
153.05408	2.7
155.08545	2.4
155.14304	7.1
158.09454	2.0
161.13263	5.2
163.14729	1.8
165.12766	2.2
167.14328	87.7
169.10083	3.5
183.11771	2.9
189.16385	52.5
207.10187	4.2
207.17456	33.1
225.09183	3.7
225.12804	3.8
225.14627	13.0
225.18381	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.73932	1.4
53.03936	2.9
55.01862	2.7
55.05503	10.7
55.15339	1.4
55.16375	1.4
56.27158	1.4
57.03450	1.8
57.07071	4.3
58.28347	1.7
60.74004	1.9
61.64777	1.8
67.05502	23.2
67.58839	1.4
69.03430	100.0
69.07066	11.3
70.76023	5.0
71.04979	4.7
79.05495	19.7
81.03443	7.7
81.07057	39.4
83.04994	8.1
83.08610	4.8
85.02927	2.2
87.04464	2.1
89.12313	1.5
91.05487	13.3
93.07040	19.5
95.04963	18.4
95.08611	22.7
97.02876	2.0
97.06523	6.1
98.21223	1.9
99.97922	1.5
101.34888	1.7
103.05450	1.7
105.07032	51.9
107.04948	4.4
107.08588	14.3
109.06530	22.4
109.10162	10.7
110.07321	2.1
111.08077	6.4
115.12983	1.7
117.07014	2.3
118.91272	1.8
119.08584	30.0
121.06493	8.1
121.10148	24.4
122.07266	6.1
123.04435	17.8
123.08067	12.2
123.11700	4.0
125.09614	3.5
131.08598	2.2
133.06488	15.0
133.10130	56.2
135.08055	2.6
135.11708	3.6
137.05991	4.7
137.09615	45.0
139.11179	22.5
141.07013	1.5
143.08624	2.4
145.10129	6.4
147.08041	5.2
147.11687	32.7
149.09596	4.6
151.07567	7.9
151.11140	2.0
156.09340	8.8
159.08040	4.6
159.11694	4.8
161.09566	2.3
161.13290	15.0
163.11160	8.7
165.09172	3.1
165.12769	2.8
171.11731	11.5
174.10391	9.7
177.12688	2.5
179.14334	3.3
189.12733	20.2
207.13817	26.7
225.14951	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	225.1486
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
55.01883	2.0
55.05500	4.7
57.03440	4.9
65.03926	2.7
67.05502	10.5
67.84857	2.2
69.03435	43.7
69.07072	4.3
70.72475	2.8
70.72816	5.0
71.04988	4.8
79.05496	9.5
81.03412	9.2
81.07062	12.3
83.04981	13.7
85.02914	7.7
87.04472	35.8
91.05467	7.0
93.07034	11.7
95.04989	5.9
95.08624	18.6
97.06532	5.5
98.21030	4.8
99.04453	2.2
105.07037	12.2
107.04971	3.4
107.08604	13.4
109.02895	9.4
109.06541	11.0
109.10170	19.0
109.10844	2.8
119.08586	16.8
121.06470	2.5
121.10150	35.3
122.07248	3.6
123.04470	2.8
123.08067	16.2
123.11703	2.3
125.05999	2.9
125.09612	3.0
133.10147	5.9
135.08083	4.8
135.11694	3.4
137.09636	24.4
139.11188	100.0
144.63005	2.0
145.10123	5.6
147.08032	4.5
147.11684	8.6
149.09641	15.0
151.07553	8.4
161.09624	2.6
161.13293	7.4
163.11165	13.5
165.09152	27.3
165.12773	3.2
167.10754	2.5
169.08676	2.7
177.12706	2.1
179.14362	3.1
189.12737	15.4
207.13887	11.6
210.05109	2.3
225.14847	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05503	7.9
57.07080	4.5
59.05004	5.8
60.71997	2.6
62.79446	2.6
67.05500	25.8
69.03403	2.2
69.07099	3.0
71.04945	3.4
71.46886	4.0
73.17879	2.4
79.05473	3.0
79.64970	2.1
81.07053	16.8
83.04983	6.2
85.02419	4.4
85.02908	64.6
85.06538	10.5
91.05476	4.8
93.07034	9.6
95.04945	3.0
95.08608	100.0
97.73981	2.6
99.04453	2.4
100.24625	2.9
105.07008	8.3
107.08597	13.8
109.06522	5.9
109.10153	6.2
113.06001	8.4
119.08594	19.1
121.10129	9.1
123.08081	34.4
123.11713	46.5
124.63124	2.7
125.06012	4.4
133.10094	3.5
135.11685	10.4
137.09616	5.6
141.09097	5.7
145.10173	2.5
147.08005	4.9
147.11694	9.6
149.09637	20.5
151.07573	4.3
159.11894	2.6
161.13280	7.8
165.12735	6.2
179.14343	3.9
189.12769	7.8
197.17943	2.5
207.13835	18.9
225.14816	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	225.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46432	0.5
53.03943	0.7
55.01872	1.2
55.05505	1.6
56.05021	0.7
56.96560	2.3
57.03424	1.2
57.07061	0.5
60.56829	0.5
67.05509	1.2
68.05028	2.9
69.03424	2.2
69.07067	0.9
69.60738	3.3
70.02973	1.2
71.04994	1.2
72.04517	1.4
73.02919	3.6
73.06545	2.0
74.02444	0.9
79.05503	1.2
80.05009	3.0
81.07066	1.4
83.04987	0.9
84.04528	0.9
84.96049	0.9
85.02913	1.3
86.02435	6.6
86.06065	1.1
87.04471	0.7
91.05479	1.1
93.07057	0.7
94.02937	15.1
94.06551	1.5
95.04985	2.1
95.08615	1.0
96.04488	1.1
97.02899	1.1
97.06468	0.6
98.02399	1.4
98.20962	1.8
98.21545	0.6
98.97573	2.1
99.04457	1.9
104.05083	0.7
105.03403	1.9
105.07054	0.8
106.06530	0.6
107.05004	0.7
107.08588	0.6
108.04456	1.2
109.02840	0.6
109.06527	0.9
110.06058	3.5
114.05536	2.2
116.98643	1.0
118.06516	0.7
119.01933	0.8
119.06062	2.2
119.08562	0.8
121.07654	1.3
122.06039	0.6
123.04453	1.3
127.04015	1.0
128.98622	0.5
132.06563	3.5
133.02780	0.7
133.07585	0.8
133.08458	1.0
133.10115	0.8
134.06033	1.3
135.05544	75.1
137.05968	0.7
140.04680	0.7
145.05080	2.0
145.07597	0.7
146.40823	0.5
147.05537	100.0
149.01219	0.6
150.05539	0.6
153.01852	0.6
161.07132	4.6
161.13315	0.7
163.02730	0.6
167.07004	1.0
170.34700	0.5
179.03407	0.8
179.09105	0.9
180.04254	0.7
183.06580	0.9
186.99199	0.5
189.06590	8.5
189.10315	0.7
201.00748	0.9
207.07677	34.7
219.01801	0.8
225.04185	2.4
225.08722	89.7
227.04070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34515	1.1
58.41705	1.1
62.04946	1.0
68.85919	1.1
69.20882	1.1
69.93797	5.4
71.30990	1.0
74.48309	1.0
76.22137	1.1
77.84663	1.0
85.75568	1.2
98.21248	2.4
101.00880	25.5
116.04208	1.1
116.98787	1.3
119.01922	87.8
120.02015	3.1
134.99823	3.6
137.02963	21.8
140.98849	2.0
142.03488	15.6
145.48692	1.2
149.94460	1.0
153.00986	1.7
158.99875	7.0
160.04594	5.4
161.02956	8.5
175.03143	1.1
177.00954	100.0
178.01030	5.5
179.03975	11.4
179.94957	1.3
181.05887	1.1
182.99826	2.6
184.04518	5.2
195.01996	2.8
201.00908	6.7
201.02513	3.1
202.05492	2.5
217.04080	10.6
219.02003	93.2
219.94464	2.2
220.02089	9.3
225.01016	3.5
237.95482	2.2
242.03767	1.3
243.01976	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	0.6
58.06599	2.8
59.05014	1.2
62.29230	0.6
68.05045	1.1
69.03448	0.7
69.28204	5.8
70.06615	1.0
76.07638	0.9
79.05494	5.5
80.05034	1.1
81.07098	0.5
82.01438	0.5
82.06593	0.9
83.04966	0.8
84.04520	0.7
86.06059	0.7
91.05477	6.8
93.07056	1.9
95.04931	1.1
95.08652	0.6
97.06521	0.5
98.21116	2.8
103.05476	13.1
105.07035	34.3
107.04964	4.6
108.04479	0.8
109.02872	0.6
115.05476	1.1
117.05750	1.3
117.07011	1.4
118.06550	12.8
119.05007	0.7
119.07323	2.5
120.08115	23.1
123.04412	0.6
127.03981	0.5
128.06227	6.0
130.06529	4.0
131.04964	4.4
131.07312	3.4
131.08443	1.1
132.08067	2.4
133.08846	2.0
134.09641	1.7
136.07610	0.8
143.08562	3.4
145.06549	0.7
145.08920	0.7
149.05946	0.6
150.02686	0.6
150.05554	0.7
150.09111	0.8
158.09685	1.1
160.11224	100.0
161.11630	0.7
178.12274	90.5
179.07152	0.6
179.12593	1.0
206.04529	0.7
206.11784	11.9
224.09210	1.5
224.12804	30.9
225.04060	0.6
226.04282	2.7
228.02249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0919
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
53.03954	0.7
55.01878	0.6
55.05511	0.9
56.96570	4.7
57.03439	1.1
62.72817	0.5
65.03945	0.8
68.05038	0.5
69.03421	1.5
70.75521	1.2
71.04978	0.5
73.02925	1.4
73.06560	2.8
79.05492	2.7
80.05022	0.5
81.03407	0.7
81.07046	0.8
83.04981	0.9
84.96033	0.9
85.02905	1.5
85.97919	0.4
91.05485	4.5
93.07024	0.5
94.02952	1.6
94.06561	1.2
96.17928	0.5
96.69737	0.5
97.02892	1.2
97.06470	0.5
98.20942	0.7
98.97578	2.9
103.05487	6.9
104.04967	0.7
105.07036	22.7
107.04971	3.0
110.06114	0.4
110.97552	0.7
111.04465	0.7
112.07587	0.7
113.02901	0.6
113.03574	0.8
115.05450	2.6
116.98618	1.7
117.05753	7.0
118.06580	0.7
119.01887	0.7
119.07328	3.3
120.08142	2.2
121.06507	1.5
122.06042	1.3
124.03945	0.6
126.03755	3.5
127.04041	0.5
128.03461	1.0
128.98611	0.6
130.06538	6.1
131.00192	0.5
131.04941	2.3
132.08096	100.0
133.08463	0.6
134.99727	0.7
135.05550	5.1
136.07567	0.7
144.04799	15.8
145.05180	0.5
146.99681	0.5
147.04416	0.6
147.05544	7.1
149.01244	1.0
149.05989	0.6
150.05515	2.4
150.09131	2.5
153.01834	2.1
156.02951	1.6
161.01234	1.0
163.02629	0.5
165.05376	0.7
168.06540	1.1
173.01289	0.8
175.02798	0.7
177.00781	1.1
178.08641	91.6
180.01186	0.6
186.04311	0.4
188.05482	1.2
188.07047	0.6
189.00705	0.5
191.02307	0.7
201.00717	1.4
206.04639	2.3
206.06357	0.7
206.08183	1.1
207.07629	1.9
213.05261	1.1
219.01701	1.3
224.00471	3.9
224.05580	2.1
224.09267	6.0
224.11021	0.5
224.12885	1.9
225.08716	7.4
226.04312	2.1
237.02785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.96563	0.9
61.14844	0.2
65.03953	1.1
68.05031	0.3
69.03448	0.4
69.76015	0.8
69.76417	0.4
70.06597	0.2
73.06553	0.6
80.05028	0.2
81.03422	0.3
81.05817	0.2
84.96040	0.2
85.01131	0.5
85.02900	0.3
91.05503	0.2
91.74049	0.2
91.95902	0.2
92.10564	0.2
93.07055	0.3
96.04488	1.4
96.21268	0.2
98.00668	0.2
98.21184	0.8
98.97591	0.7
99.02692	1.5
106.07457	0.2
111.71313	0.2
112.02184	0.2
113.02976	8.9
114.03780	0.9
124.03966	3.6
126.03748	19.3
132.08084	0.8
144.04791	100.0
145.05077	0.8
148.07622	0.2
149.01266	0.4
150.02710	0.2
150.09198	0.3
153.01826	0.6
156.02933	0.6
178.05020	0.2
178.08662	1.3
188.05510	0.3
201.00780	0.3
213.05238	0.3
218.98128	0.2
224.00471	20.6
224.09265	0.6
224.12857	0.4
225.00827	0.3
225.08690	0.7
226.04366	0.8
228.02266	0.3
237.02959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	Laggerol
Peak:m/z	Relative Intensity
53.03925	2.2
55.05512	36.5
57.03421	2.5
57.07081	19.7
58.05019	0.8
59.04985	2.6
63.03901	0.7
67.05505	25.3
69.07069	26.4
71.04980	1.2
71.08628	6.2
71.57717	1.5
73.06548	1.5
79.05494	12.8
81.07059	48.5
83.04990	0.9
83.08125	1.2
83.08620	15.2
84.38765	0.8
85.06520	1.4
85.10185	41.4
89.84947	0.7
91.05474	5.4
93.06464	1.7
93.07049	35.2
95.04970	6.0
95.08610	67.5
96.08952	1.0
97.06499	1.8
97.10174	100.0
98.21087	1.1
98.90185	0.7
99.08073	3.6
105.07011	1.7
105.86262	0.8
107.08597	25.9
109.06546	1.4
109.10159	76.7
110.10501	1.2
111.08089	2.4
111.11718	5.2
113.09650	50.9
115.10056	0.9
117.07027	0.9
119.08610	1.3
121.02869	0.9
121.06489	1.2
121.09303	1.6
121.10142	25.9
123.11711	55.1
125.13273	2.3
127.11187	19.2
131.08591	1.0
133.10121	1.2
135.08051	1.6
135.11700	43.1
137.13231	2.7
139.03928	1.3
139.07535	1.0
149.02341	4.2
149.13261	70.2
151.14827	3.5
153.01811	2.4
153.05438	1.2
163.14813	4.8
167.03369	1.4
177.16367	3.1
179.07028	0.9
179.14240	1.4
181.04962	5.5
187.14787	1.2
195.17436	1.1
205.15854	3.6
205.19527	61.7
223.09584	5.8
223.13226	2.6
223.17021	13.1
223.20554	37.0
224.20874	1.2
225.04202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03930	0.9
55.01871	0.6
55.05270	0.6
55.05515	9.7
57.03425	0.8
57.07084	5.5
59.04993	1.0
62.86106	0.6
67.05506	12.0
68.84119	0.5
69.06714	0.9
69.07069	14.2
71.04989	1.6
71.08656	3.0
71.57938	0.7
71.85432	0.5
79.05501	8.5
81.03463	0.6
81.07062	23.3
83.04975	2.0
83.08618	5.4
85.06535	2.1
85.10191	5.7
88.36870	0.6
91.05484	2.6
93.07044	14.8
95.04964	1.6
95.08611	31.6
97.06530	2.0
97.10177	7.8
99.08118	3.3
105.07021	2.1
107.08601	13.2
107.09313	0.5
109.06482	1.3
109.10162	28.6
111.04444	0.8
111.08106	1.4
111.11705	4.9
113.09650	11.7
117.07021	0.8
119.08565	1.3
121.06477	1.1
121.10146	12.0
123.08076	0.8
123.11714	17.3
125.09637	0.9
127.11145	0.7
131.08565	1.5
133.10139	1.0
135.08064	1.2
135.11703	13.9
137.13281	0.9
139.03922	1.7
145.10139	1.3
147.11653	0.7
149.02344	3.4
149.09648	0.9
149.12175	1.1
149.13275	12.7
151.07526	1.0
153.01831	3.2
153.05455	2.1
163.11230	1.1
163.14838	3.3
167.03465	3.5
167.04651	0.8
167.07054	2.5
167.08475	0.7
177.05464	0.7
177.16412	2.9
179.07126	1.1
179.08432	0.6
180.09280	0.6
181.04971	1.7
181.10153	0.8
187.14822	1.8
196.61909	0.5
198.07886	0.6
205.08713	0.8
205.15900	1.4
205.19521	9.0
208.12486	0.7
223.06027	1.4
223.09509	3.3
223.13214	2.8
223.16956	4.9
223.20576	100.0
224.20955	1.5
225.04303	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03944	15.3
55.01859	6.1
55.05261	2.3
55.05508	26.8
57.03420	6.0
57.07078	14.6
59.04988	4.1
65.03922	3.7
67.05173	3.9
67.05508	49.7
67.13559	2.1
69.03071	2.8
69.03429	39.0
69.06724	2.3
69.07070	41.7
69.70859	11.3
70.06585	2.0
71.05003	10.7
71.08623	2.7
79.05489	35.9
80.00609	1.8
81.03422	63.5
81.03910	4.0
81.07060	61.9
83.04536	3.2
83.04987	33.6
83.08615	16.0
85.02897	3.7
85.06075	2.3
85.06544	41.9
89.06019	1.7
91.05469	27.5
93.07047	66.5
95.04972	22.2
95.08607	73.0
97.02871	2.9
97.06536	12.4
97.10169	5.7
98.21313	5.4
99.08064	4.8
99.18581	1.9
103.05450	4.1
105.07026	29.6
107.04972	12.0
107.08594	61.0
109.06522	27.2
109.10160	55.6
111.08082	15.2
111.11744	2.2
113.09638	2.5
115.05428	3.4
117.07038	9.9
119.08566	20.1
121.02854	2.3
121.06509	32.3
121.10147	84.3
123.04465	3.0
123.08076	18.9
123.11701	15.5
125.05945	4.9
125.09628	7.8
126.01063	4.5
131.04915	5.4
131.06882	3.1
131.08530	14.4
133.06528	3.2
133.10139	16.9
135.08051	24.8
135.11708	21.8
137.05966	3.8
137.09625	24.4
137.13237	6.0
139.07547	21.7
139.11183	5.2
141.06906	1.9
145.06477	7.2
145.10141	17.4
147.08028	4.0
147.11671	12.2
149.02347	20.0
149.05994	3.1
149.09616	30.3
149.13284	9.4
151.03947	3.2
151.07593	2.5
151.11172	6.4
152.06184	2.9
153.05534	3.0
153.09084	4.1
159.11687	8.7
161.06009	3.9
161.13245	6.7
162.01300	5.6
163.03928	2.6
163.07512	6.8
163.11163	14.7
163.14835	17.7
165.07022	3.4
165.09076	3.7
165.12758	50.6
167.07109	3.0
167.08476	2.6
167.10669	3.8
173.06020	2.5
175.14838	3.0
177.05569	3.4
177.07298	5.8
177.09126	8.4
177.12885	11.5
177.16351	6.5
179.08640	2.0
180.09286	2.3
181.01292	2.6
181.04897	2.4
181.08565	3.7
181.12236	3.1
187.11174	4.7
187.14812	5.8
190.00870	4.6
191.07036	3.3
193.15871	8.6
195.08044	4.7
195.11771	3.2
205.08595	4.6
205.12239	11.3
205.15860	14.3
205.19508	1.9
208.08904	2.4
208.12511	2.1
223.04169	11.9
223.06081	8.2
223.07666	4.8
223.09584	7.2
223.11261	8.4
223.13362	17.0
223.15315	3.8
223.16922	100.0
223.20264	13.6
225.04233	14.2
227.02190	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	223.1693
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.00288	0.8
53.03936	3.2
55.01609	0.7
55.01858	2.0
55.05511	54.9
57.03432	5.0
57.07077	26.6
59.04993	2.1
59.77332	0.7
65.03938	1.3
67.05507	36.9
69.03407	1.0
69.07069	36.5
70.31946	0.9
71.04983	1.6
71.08633	11.8
71.57693	1.3
73.06533	2.5
79.05055	1.6
79.05495	22.7
81.07057	63.8
83.04964	2.7
83.08150	1.1
83.08622	17.1
85.06523	1.5
85.10184	64.6
86.29134	0.9
89.05987	0.9
91.05478	9.8
93.07045	49.4
95.04973	8.7
95.08607	82.3
97.06533	2.0
97.10171	100.0
98.98425	0.9
99.08103	10.1
104.96962	0.8
105.07021	4.9
105.41457	0.8
107.04984	1.2
107.08592	38.0
109.06500	3.2
109.10157	83.5
109.85706	0.8
110.49386	0.8
111.04416	1.6
111.08060	3.3
111.11694	4.1
113.09646	69.6
117.07032	1.5
119.08564	2.8
120.44096	0.8
121.06464	2.3
121.10145	31.8
121.11019	1.5
123.08078	1.7
123.11710	49.5
125.09595	1.1
125.13229	2.5
127.11194	13.0
131.08548	1.6
131.10686	1.3
135.08034	3.7
135.11700	48.3
137.13211	2.5
139.03905	1.1
139.07472	1.2
139.11186	1.8
145.10098	1.0
147.11728	1.1
147.68283	0.8
149.02365	4.9
149.09573	2.6
149.13257	68.6
150.43117	0.9
151.14780	3.2
153.01787	3.0
153.05426	1.6
153.09116	1.4
159.11742	0.9
163.11191	0.9
163.14838	6.5
165.06956	1.0
167.03383	1.8
167.07037	1.3
172.13443	0.8
177.05249	0.9
177.16408	3.9
179.14294	1.7
181.04933	5.1
187.14755	2.1
195.17302	1.1
205.15997	5.3
205.19516	53.2
223.09526	6.9
223.13228	3.2
223.14937	2.0
223.16951	18.2
223.20546	30.7
225.04321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03936	2.5
55.01878	5.0
55.05514	7.7
57.03434	1.6
57.07077	1.9
65.03937	1.1
67.05167	1.8
67.05510	28.3
67.05869	1.6
69.07076	6.6
69.94553	4.5
71.04983	2.8
71.08635	100.0
79.05497	37.3
81.07059	28.5
83.04973	5.9
83.08617	3.1
85.06530	2.5
91.05486	11.0
93.07050	29.8
95.04987	4.5
95.08610	24.5
97.06522	5.2
97.10194	1.2
98.20860	1.5
99.08099	85.3
100.53551	1.1
105.07027	7.9
107.04941	2.1
107.08599	27.6
109.06523	9.3
109.10166	15.4
111.08078	2.8
114.90059	1.0
117.07066	5.3
117.09134	2.2
119.08575	3.8
121.06549	4.7
121.10152	22.6
123.04389	1.9
123.08054	2.1
123.11707	4.2
125.09607	1.1
127.11184	3.5
129.07002	1.1
131.08578	10.6
133.10120	3.2
135.08060	17.2
135.11678	3.8
137.09586	3.0
139.07521	1.4
139.11217	4.3
145.10110	5.4
147.11717	2.0
149.02328	3.5
149.09628	17.5
153.01801	3.4
153.05464	2.1
153.09068	5.4
159.11697	1.4
161.13261	3.0
163.11162	2.9
163.14832	14.7
167.03400	4.8
167.10678	2.1
177.16374	4.3
179.07028	2.9
181.04967	2.3
187.14853	11.9
205.15892	37.8
208.12540	1.2
223.05945	1.4
223.09671	4.0
223.13165	2.0
223.14972	2.4
223.16934	25.7
225.04321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.00312	1.3
53.03935	1.6
55.01871	2.6
55.05510	6.2
57.03419	1.5
57.06818	2.1
57.07079	27.5
67.05509	12.6
69.07058	5.3
71.08638	52.5
71.09468	2.6
71.09793	1.2
79.05499	22.2
81.07059	10.8
83.04982	2.2
85.10187	79.5
91.05482	7.5
92.54865	1.3
93.07050	27.6
95.04978	11.3
95.08610	20.1
97.06494	1.4
99.08102	43.4
102.01946	1.4
105.07019	3.6
107.08592	12.6
109.06513	6.0
109.10173	3.8
111.08083	2.7
111.21456	1.1
111.51340	1.2
113.09655	100.0
115.11191	1.2
117.06993	4.0
119.08614	2.2
121.02877	1.5
121.06499	2.6
121.10157	10.1
127.11253	1.6
131.08575	3.6
135.08086	9.4
135.11673	2.7
136.02716	1.1
137.09624	1.8
138.89989	1.1
139.07516	1.4
145.10176	2.6
149.02357	18.1
149.09651	9.8
153.09125	1.4
161.55806	1.3
163.14836	5.5
177.16425	5.1
179.14337	1.8
187.14839	6.8
192.14890	1.6
195.17433	3.0
205.15903	20.3
218.30354	1.4
223.16956	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.15718	3.0
53.03927	4.9
55.01860	7.7
55.05513	44.1
57.07069	2.5
59.05004	3.6
65.03903	3.3
67.05526	20.9
69.03429	16.5
69.07054	10.4
69.95071	6.1
69.95489	8.4
71.04978	10.6
74.79064	2.3
76.84438	2.3
79.05505	14.9
81.07059	20.5
83.04984	73.1
85.02912	34.8
91.05487	28.0
93.07047	50.4
95.04958	17.0
95.08624	35.1
97.06539	18.0
97.10142	4.5
98.20991	5.5
99.04431	6.1
99.08086	5.2
103.05477	2.8
105.07040	32.9
107.04944	6.2
107.08600	44.7
109.06521	28.7
109.10168	14.6
111.08070	7.4
113.05975	6.2
117.07027	9.7
119.08591	43.7
121.06519	33.6
121.08453	3.4
121.10155	45.5
122.07223	4.2
123.08082	34.1
125.05965	13.0
125.09663	6.0
129.07025	3.9
130.06546	6.2
130.07755	6.3
131.06892	21.5
131.08504	12.5
133.04779	3.6
133.10146	14.5
135.08061	38.5
135.11694	26.7
137.05998	3.4
137.09628	25.8
139.07585	3.8
143.08540	4.5
144.09283	4.7
145.10133	34.7
147.08066	14.2
149.02315	4.9
149.06010	3.0
149.07903	6.1
149.09625	59.8
149.13257	7.9
151.07465	2.8
151.11174	5.4
159.06325	7.0
159.11714	39.8
161.09634	18.1
163.07529	5.8
163.11192	60.9
164.11514	2.7
165.09091	21.8
167.07037	3.5
172.08795	5.4
175.11188	7.7
177.07468	28.9
177.12753	39.8
179.10684	14.5
181.08714	3.1
181.12216	9.6
187.11198	12.9
193.12250	6.5
205.12219	42.9
206.63211	2.7
220.44464	2.9
223.11108	5.5
223.13300	100.0
225.04292	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03936	5.7
53.67434	2.5
54.46167	2.5
55.05509	24.0
57.03424	3.3
59.04990	6.6
67.05509	16.0
68.50163	2.6
69.03426	17.8
69.07074	19.6
69.50930	9.4
69.51358	10.9
71.04975	7.3
77.53521	3.1
79.05493	18.0
81.03423	5.0
81.07069	18.2
83.04982	37.4
85.02908	15.1
89.06052	5.4
91.05468	22.3
93.07050	56.4
95.04981	21.0
95.08617	42.2
97.06512	11.7
97.10165	4.3
98.20853	7.8
99.04434	5.4
103.05517	3.1
105.07038	25.0
107.04974	5.8
107.08599	64.5
109.06525	20.2
109.10128	7.6
111.04453	2.4
111.08064	3.6
115.05447	2.8
117.06974	8.2
119.08578	26.9
121.06513	34.3
121.10143	38.4
122.07189	3.2
123.04393	3.3
123.08088	28.9
125.05955	4.7
125.09609	5.9
126.71315	3.3
129.05472	4.4
129.06993	4.7
131.08566	13.0
133.10162	17.9
135.08060	87.8
135.11702	30.7
137.05943	7.7
137.09630	15.1
139.07526	4.3
143.07014	5.6
144.09331	7.6
145.10101	9.6
147.08020	9.7
147.11665	4.3
149.02344	7.0
149.05971	8.3
149.09625	28.3
149.12170	4.4
149.13263	56.2
151.07532	12.0
151.11211	5.4
155.07011	3.0
159.11693	44.4
161.09630	9.0
163.07565	5.4
163.11163	26.8
165.09142	12.5
165.12781	4.2
167.06943	3.4
172.08781	3.4
175.11201	24.6
175.12587	4.3
177.12764	72.0
179.10686	9.0
181.12192	4.6
187.11171	11.0
193.12231	18.4
200.93094	2.7
201.65729	2.4
205.12247	74.5
223.13274	100.0
225.04276	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03939	8.8
55.01855	6.5
55.05494	9.3
57.07064	5.5
59.04985	8.6
65.03925	3.3
67.05509	18.5
69.03440	27.3
69.07051	8.4
70.82384	4.4
71.04974	7.1
71.12904	2.5
79.05499	17.2
81.03402	5.3
81.07058	15.9
83.04993	29.3
83.08586	3.3
83.13641	2.5
85.25359	2.0
91.05483	41.7
93.03394	3.1
93.07047	100.0
95.04964	25.9
95.08607	19.9
97.02869	2.5
97.06557	11.9
97.51125	2.2
98.21191	4.2
99.04444	4.8
103.05441	6.1
105.04468	3.3
105.06398	2.4
105.07040	36.5
107.04932	3.5
107.08597	41.7
109.06513	23.0
109.10155	9.1
111.04396	4.6
111.08100	10.6
111.23321	2.3
113.05993	5.0
115.05451	5.4
117.07008	13.6
119.08585	28.3
121.06511	95.2
121.08376	3.9
121.10149	27.7
122.65655	2.4
123.04469	2.3
123.08067	15.5
125.05939	2.3
125.09607	4.8
127.07552	5.6
128.06247	3.1
129.06969	8.0
130.06544	4.5
130.07742	5.3
131.06908	15.1
131.08549	12.5
133.04695	3.2
133.06464	2.9
133.10159	13.0
135.08083	19.2
135.11659	12.3
137.05920	3.0
137.09625	14.7
139.07521	7.4
139.11183	2.8
142.07774	5.2
143.08562	3.3
144.09334	6.7
145.06445	6.2
145.10120	25.4
147.08000	9.8
147.11662	6.2
149.02335	12.0
149.05986	6.1
149.08308	3.3
149.09622	69.6
149.13240	5.2
153.09117	15.3
157.10204	10.7
159.06326	3.3
159.11696	33.1
161.09613	8.4
163.07520	6.3
163.11208	23.2
165.09164	11.1
167.07047	3.1
172.08818	5.3
175.11206	26.5
177.05420	4.7
177.07356	14.6
177.08856	3.7
177.12697	21.9
179.10646	13.3
181.12233	5.1
187.11189	27.0
193.12207	5.1
205.08621	3.8
205.12218	37.7
223.06021	7.7
223.09695	4.2
223.13254	75.9
225.04297	14.2
227.02081	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	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	9.9
55.01857	6.7
55.05516	18.1
56.96541	4.0
57.03412	2.6
57.07058	8.9
59.04992	6.3
65.03919	4.0
67.05173	2.3
67.05505	31.0
69.03432	47.4
69.07072	10.4
69.83398	8.4
69.83816	3.9
70.06567	3.3
71.04998	14.6
77.76541	2.0
79.05492	20.8
81.03397	9.4
81.07062	24.1
83.04523	3.3
83.04976	28.9
85.02884	6.0
85.06530	6.9
91.05482	50.8
93.07047	97.8
95.04973	30.2
95.08053	2.7
95.08609	35.4
97.02895	18.0
97.06543	11.9
98.21128	7.6
98.97565	9.8
99.04485	10.6
103.05442	9.3
105.03394	2.6
105.07040	48.0
107.04925	8.7
107.08597	63.3
109.06523	26.4
109.10154	16.4
111.04414	5.2
111.08047	13.3
112.08603	2.0
113.05983	6.2
115.05439	6.2
116.98591	6.8
117.07009	18.1
119.08588	41.8
120.08105	3.3
121.05655	5.1
121.06510	89.1
121.10131	39.9
123.04378	5.6
123.08092	22.0
123.11617	2.6
125.02332	2.1
125.05976	2.8
125.09597	8.7
127.03904	4.9
127.07531	9.3
128.06258	2.6
129.06989	10.2
130.06503	3.1
130.07799	5.3
131.04953	4.5
131.06909	19.7
131.08534	20.5
132.04486	2.7
133.04800	4.3
133.06509	4.1
133.10136	24.8
135.04491	2.5
135.08075	32.5
135.11708	30.9
137.05968	4.1
137.09621	21.2
137.94099	1.9
139.03871	2.6
139.07590	13.7
139.11148	2.4
142.07811	6.2
143.08525	5.0
144.09317	5.9
145.06445	5.4
145.10118	35.0
146.07217	2.3
146.18816	2.0
147.08066	12.8
147.11630	4.8
149.02357	20.5
149.05928	4.8
149.07878	6.6
149.09622	59.3
149.13237	5.8
151.11150	3.7
153.01790	2.4
153.09103	11.8
155.06995	2.1
157.10147	14.0
158.99701	4.0
159.06412	6.8
159.08052	8.0
159.11702	33.7
161.09618	14.5
161.13148	2.5
163.07561	10.9
163.11194	41.1
165.09111	20.6
172.08810	5.1
175.11180	18.8
176.07024	2.3
177.00720	3.3
177.05478	4.2
177.07365	25.4
177.08960	3.9
177.12730	25.9
179.10669	23.3
181.08676	2.4
181.12234	11.9
187.11200	23.9
191.07104	2.6
193.12250	7.2
195.13728	3.8
205.04953	4.5
205.08711	3.8
205.12178	44.2
205.13889	3.0
223.05969	8.7
223.09538	6.8
223.11142	5.1
223.13260	100.0
223.16811	4.8
225.04254	26.4
227.02167	5.6
230.71072	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	223.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01863	4.2
55.05494	4.4
56.76313	1.3
56.96289	2.5
56.96566	40.7
57.03424	6.1
58.99848	3.3
59.04987	5.3
59.12784	1.5
60.95835	2.4
61.02916	4.6
67.05497	5.0
69.03426	14.2
69.07056	3.5
69.61761	11.3
70.06593	8.1
71.04971	3.4
72.08121	1.7
73.02919	9.9
73.06545	1.7
76.48090	1.4
77.00893	3.6
79.01865	3.4
79.05484	4.5
81.03416	7.8
81.07063	3.7
82.01436	3.2
83.04984	6.2
84.96010	4.5
85.02908	12.4
85.06494	2.3
91.05482	5.0
92.04997	2.2
93.03411	1.8
93.07040	4.2
94.06572	8.5
95.01329	3.2
95.04967	6.3
95.08612	2.7
97.02888	15.0
98.20808	3.8
98.97585	24.6
98.98225	2.2
98.98467	1.3
99.04454	3.2
100.02476	15.8
100.03938	1.6
101.00855	5.7
102.96872	2.1
103.05454	3.4
105.03381	3.8
105.07033	3.0
107.04954	4.2
107.08548	2.7
109.02869	6.0
109.10162	2.0
110.07175	1.9
110.97582	2.7
111.04424	1.6
113.00885	4.9
113.02376	2.3
115.02441	4.1
116.98618	19.9
118.03503	11.7
119.01906	24.6
120.97934	1.7
121.01630	2.6
121.06501	4.7
123.04396	2.8
125.02380	2.4
127.03906	5.2
128.98648	8.2
130.06551	3.8
131.00267	3.7
131.01909	60.8
131.05013	1.5
131.06046	3.8
131.06914	3.4
132.07088	2.3
133.03450	9.2
133.06520	2.1
133.07607	3.7
134.06032	2.1
134.99648	10.3
135.08051	2.2
135.11638	2.1
136.02432	2.7
137.02945	6.4
137.05945	3.2
139.03989	2.1
140.02261	1.6
142.03488	10.0
143.00200	2.5
143.01888	3.2
143.03467	3.7
144.99788	2.8
145.03470	5.9
146.99641	6.9
149.01073	3.4
149.03120	24.4
149.05959	2.4
151.04590	2.2
153.01843	23.8
153.02989	2.9
154.02168	4.2
154.03481	51.6
155.01970	5.1
155.03436	2.0
156.02943	4.8
156.05032	8.2
156.97447	8.0
157.01700	3.6
157.03445	4.2
157.97580	16.0
158.97244	2.0
158.99629	7.8
159.01361	3.2
159.05138	1.9
159.06367	3.5
159.09180	5.5
160.04532	3.7
160.06375	1.5
161.01236	5.3
161.02954	5.9
161.09782	1.8
163.04541	2.2
163.11147	2.5
165.05418	1.9
167.05746	1.9
167.07036	5.4
168.01501	3.0
169.03468	1.7
172.04549	19.3
173.01241	3.6
173.02939	6.6
173.06583	2.4
174.06171	4.4
174.98541	12.0
175.02837	2.7
175.04524	5.6
175.08701	2.9
175.98625	23.2
176.94475	2.0
176.98296	2.4
177.00722	12.7
177.02446	29.2
177.05388	2.6
177.06723	2.0
177.10301	23.1
177.12642	2.0
179.04527	3.4
182.02989	20.3
185.03024	3.4
187.08650	3.9
188.05615	4.4
189.00600	1.9
190.07523	3.7
191.03818	4.5
195.01866	2.3
195.03415	9.6
197.01202	2.6
197.02895	2.7
199.04485	2.4
199.98717	5.3
200.02327	4.5
200.04037	83.9
201.00731	3.6
201.02415	4.1
201.04207	2.1
203.03894	2.1
205.09746	27.0
205.11884	3.2
205.12181	2.9
206.06555	4.4
209.01173	2.4
214.05429	2.2
216.99695	3.4
217.01689	3.9
217.99661	12.6
218.05135	22.8
218.99472	3.7
219.01724	3.8
219.03551	3.8
221.05064	2.3
223.02451	2.1
223.05334	3.3
223.07159	11.6
223.10791	100.0
223.16803	2.6
224.07672	3.1
225.04308	32.6
227.02229	9.4
237.02925	3.0
241.00134	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	223.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.6
55.01864	12.2
55.05517	19.6
55.05742	4.6
56.96572	87.6
57.03427	12.3
57.07069	9.7
59.04981	12.7
61.02927	5.4
65.03917	7.0
67.05501	16.4
69.03420	31.9
69.07038	9.8
70.06583	10.8
71.01342	4.3
71.04985	5.7
71.56348	5.3
72.08146	4.2
73.02905	15.3
73.06554	4.1
73.49859	4.6
77.00898	5.5
79.01839	7.9
79.05488	18.5
81.03405	22.5
81.07048	13.8
83.04977	13.4
83.08604	4.3
84.08128	8.6
84.96027	8.1
85.02914	19.0
86.09676	5.4
91.05457	21.3
93.07032	17.1
94.06581	8.2
95.01329	4.3
95.04958	15.2
95.08595	12.2
96.40759	3.9
97.02901	31.0
97.06557	9.4
98.06068	4.2
98.97594	79.9
98.98331	4.9
98.98447	4.1
99.04444	8.0
101.00851	11.7
102.96874	4.8
103.05418	4.6
105.07043	12.2
107.04942	11.5
107.08615	8.4
109.02855	13.1
109.06489	9.5
109.10159	4.8
110.97541	8.6
111.04466	6.1
111.08121	10.4
112.05070	5.2
113.06008	4.7
116.98627	61.7
117.06953	4.7
119.01936	30.5
119.04955	4.3
119.08604	5.7
120.02167	4.2
121.02850	10.1
121.06548	22.9
121.10139	9.3
123.04419	8.9
125.02368	4.5
125.06024	4.6
127.03902	9.5
128.98607	16.3
130.06566	7.2
130.08684	4.7
131.01891	20.9
131.06921	9.9
131.08505	6.5
133.03513	7.1
134.99654	30.1
135.08028	6.8
136.06165	4.2
137.05974	6.2
140.04787	4.6
143.00180	6.8
143.01871	8.4
145.03415	4.9
145.06450	4.7
146.99615	15.5
149.02257	36.0
149.05948	22.1
149.09566	5.9
151.03978	6.7
153.00720	5.8
153.01849	39.0
154.02252	8.4
154.03455	4.7
155.01913	5.4
156.03046	5.4
156.97514	21.4
157.03398	5.4
157.97562	53.0
158.97214	7.3
158.99605	22.9
159.06392	8.9
159.09251	9.2
159.11586	6.1
161.01225	8.6
161.02986	9.6
161.05933	4.2
161.09908	4.8
161.53319	4.2
163.11160	8.4
165.05396	5.0
165.09123	5.1
167.07010	31.6
169.03333	4.8
172.04507	8.2
173.02962	5.1
174.98523	23.5
175.98633	65.8
176.94547	5.1
176.98309	10.6
177.00691	38.5
177.02213	7.2
177.05418	26.3
177.10332	37.1
177.12599	10.5
181.04936	4.9
185.02977	5.3
187.08696	7.1
187.11174	4.5
190.07397	7.5
199.04419	5.1
199.98656	16.0
200.02243	8.0
200.04071	19.5
201.00696	9.5
201.02455	6.0
203.04051	6.5
205.09718	54.0
205.12242	12.5
209.01158	6.6
209.08180	8.9
211.55200	4.1
212.04414	5.7
214.01254	4.2
216.99738	6.4
217.99673	46.3
218.99530	6.5
219.01746	10.2
223.02408	10.0
223.05919	17.0
223.10883	100.0
223.13277	17.9
223.16933	15.0
224.07533	6.3
225.04330	83.2
227.02267	26.8
232.06151	8.7
237.02945	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	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72860	0.3
70.35849	1.1
72.63051	0.3
88.82384	0.3
94.37061	0.4
98.21088	0.8
101.00879	1.3
113.33186	0.3
119.01924	2.5
120.95388	1.2
137.02934	0.5
138.96399	10.4
142.75824	0.4
156.97481	100.0
157.97543	1.4
170.99010	0.6
174.98544	79.3
175.98625	1.5
176.96463	0.7
179.99084	3.3
180.97495	0.9
189.00125	0.5
198.00130	2.3
198.98537	27.4
199.98648	0.4
216.99596	54.4
217.99762	1.1
222.00076	1.3
231.01271	0.6
240.01164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
69.71543	0.8
69.71946	2.0
91.05487	1.8
95.04968	0.4
98.20984	1.3
103.05470	2.6
105.07048	0.7
106.06571	0.6
115.05460	10.2
117.05722	0.4
118.06541	3.1
120.08108	2.9
130.06535	100.0
131.04984	2.1
131.06888	1.2
132.04454	1.6
132.08086	1.3
133.06502	14.0
140.04921	0.6
142.06508	0.7
143.06046	1.9
148.07574	11.1
153.01848	2.0
155.16905	0.4
158.06020	78.8
159.06361	1.3
159.07596	0.4
160.07610	0.6
176.07094	7.5
186.05515	7.0
200.20195	0.4
204.06563	11.3
222.07713	3.4
222.11279	1.8
225.04349	0.6
233.00557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
52.47842	0.4
66.35886	0.5
67.05499	0.6
69.03416	0.7
69.82472	2.8
82.73140	0.5
91.05456	0.6
93.07050	1.1
95.05004	0.6
98.21097	1.4
103.05462	0.8
105.07063	0.4
106.06566	1.1
107.08601	0.8
110.65099	0.5
118.06573	0.8
118.46786	0.5
119.08611	0.7
120.07248	0.6
120.08111	11.8
120.08932	1.0
130.06532	100.0
131.06895	0.9
132.04456	16.7
135.08017	0.7
146.06039	0.7
148.07573	27.8
149.06000	0.5
153.01813	0.8
158.06021	30.2
159.11678	0.7
176.07076	83.6
177.07451	1.0
178.09471	1.2
204.06566	1.8
205.12213	0.8
211.28426	0.4
222.07658	5.8
222.11267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05507	12.2
55.86324	1.7
57.07058	4.0
59.05004	1.9
67.05507	25.3
67.60996	1.5
69.07065	14.0
71.04974	2.1
79.05480	16.7
81.07058	77.9
83.08601	8.0
85.34941	1.6
91.05475	7.5
93.07053	21.8
95.08610	100.0
97.06529	5.9
97.10170	6.0
98.20827	6.2
98.21508	4.0
99.08058	2.8
104.60964	1.3
105.07037	26.3
107.07862	2.3
107.08597	45.9
109.02904	1.6
109.06522	2.3
109.10159	48.0
111.11684	3.1
115.97544	1.4
119.08587	53.6
121.10149	15.7
123.11713	22.2
133.10132	25.5
135.11702	18.9
136.32825	1.5
137.13245	3.2
139.11179	1.6
139.51656	1.5
145.10129	2.1
147.11697	29.8
149.13255	5.7
160.12509	1.7
161.13248	10.7
163.14848	6.4
167.07098	2.9
175.14877	3.6
177.16478	1.7
203.14560	1.7
203.17960	44.9
221.11734	4.2
221.15459	3.6
221.19012	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.91329	1.6
53.03939	2.9
55.01874	20.7
55.05304	1.3
55.05514	17.9
57.03440	2.8
57.07066	6.8
59.04996	1.8
67.05502	41.5
68.45727	1.5
68.99793	1.7
69.03440	2.0
69.07069	48.7
71.04984	3.2
71.23762	2.1
71.24108	2.9
72.08874	1.4
73.06545	4.6
79.05492	19.6
81.07057	51.8
83.01323	1.8
83.04968	4.6
83.08612	11.4
83.90263	1.7
85.06535	5.2
91.05466	14.9
93.07051	27.0
95.04996	11.9
95.08608	83.3
97.06529	38.9
97.10164	8.0
99.08078	3.0
105.06377	3.2
105.07031	41.5
107.08591	40.1
109.06532	8.3
109.10155	75.8
111.04428	1.9
111.08070	21.6
111.11745	7.5
117.07024	2.2
119.08580	48.1
121.06540	2.1
121.10141	25.7
123.04415	2.3
123.08076	50.6
123.11711	20.2
125.08768	1.7
125.09635	7.6
126.38373	1.5
127.11150	1.9
133.06502	3.8
133.10126	32.1
135.08020	3.0
135.11671	11.6
136.27568	1.6
137.06000	5.6
137.08710	1.8
137.09639	12.0
137.13249	9.7
139.03902	28.3
139.11185	2.3
143.08499	1.9
145.10147	3.3
147.08070	3.7
147.11694	36.6
149.05923	1.6
149.13280	10.7
151.07497	10.0
151.11174	5.6
153.00702	2.8
153.01833	32.6
153.05455	1.9
153.12764	2.1
159.11687	3.6
161.06003	1.9
161.09634	4.9
161.13263	31.2
163.03923	3.6
163.14807	14.2
165.05479	2.7
165.12727	4.0
167.03397	3.4
167.07077	4.3
175.07530	2.1
175.14818	11.9
177.16423	2.9
179.10677	1.9
185.13252	2.6
193.05034	1.6
193.06879	1.8
193.08533	3.8
193.12230	2.5
201.24254	1.6
203.07031	5.4
203.14380	9.6
203.17952	68.8
206.16261	3.9
221.08092	16.8
221.11766	13.1
221.15764	11.3
221.19017	100.0
222.19337	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
53.00304	2.4
55.05505	4.8
57.07064	1.9
62.45143	1.2
65.03933	1.5
67.05502	10.8
68.68834	1.5
69.07065	8.2
71.04996	49.0
79.05057	1.6
79.05493	17.2
81.07058	61.0
83.08604	2.8
84.77111	1.3
85.06521	1.5
91.05469	12.1
93.07048	32.4
95.04966	2.0
95.08614	22.5
97.06541	4.3
98.21120	10.0
99.08095	1.9
105.07035	35.3
107.04907	1.7
107.08591	30.0
109.06532	2.0
109.10161	15.8
111.08121	1.8
117.07070	2.0
119.08588	54.3
121.10157	10.2
123.11694	9.8
127.11179	6.3
131.08566	1.6
133.10135	16.8
135.08084	2.0
135.11699	33.4
139.03900	5.5
141.05490	2.5
145.10172	1.7
147.08040	1.9
147.11697	18.7
149.13258	41.7
153.01862	4.5
153.05473	4.0
161.13261	9.8
163.14706	2.1
165.09113	2.1
175.07668	1.5
175.14833	3.0
177.16449	3.5
185.13335	2.2
203.07057	1.8
203.14340	2.9
203.17957	39.4
221.08032	2.9
221.11600	10.5
221.15401	6.9
221.19012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	4.0
55.01880	1.7
55.05513	16.4
57.03444	2.0
57.07077	12.4
59.04996	4.7
65.03943	3.0
67.05170	2.4
67.05507	40.8
68.99767	1.7
69.03426	2.5
69.07071	28.6
71.04989	5.1
71.43266	1.5
72.92484	1.2
76.96601	1.3
79.05492	23.0
79.78960	1.5
80.10399	1.4
81.07060	88.4
83.01379	2.0
83.04968	4.9
83.08629	12.0
83.59830	1.3
85.02901	2.0
85.06524	5.7
91.05479	15.5
93.06465	1.9
93.07053	33.7
95.04973	4.1
95.08610	72.9
97.06544	9.3
97.10152	3.3
97.53542	1.4
98.20778	3.4
98.21456	5.2
105.07035	67.3
106.07410	1.5
107.04978	2.2
107.08599	62.8
109.02850	2.2
109.06526	8.0
109.10161	57.2
111.08085	17.5
111.11701	3.9
113.09598	1.7
119.04935	1.6
119.08587	59.1
121.06499	2.3
121.10155	33.6
123.04441	11.3
123.08083	12.4
123.11715	26.1
125.06017	4.1
125.09615	6.3
127.11170	2.3
131.08517	2.1
133.10138	37.1
135.11687	14.6
137.05986	12.4
137.09622	7.2
137.13242	6.8
139.03917	2.9
139.07573	1.5
139.11209	1.9
141.05435	4.5
145.10143	4.6
147.04440	2.9
147.11696	86.1
149.13263	10.7
151.04028	2.0
151.07547	24.3
151.11205	9.1
153.05470	37.6
155.06998	3.2
159.11661	2.1
161.11957	2.5
161.13263	39.7
163.14833	25.3
165.05496	2.6
165.09178	1.8
165.12759	10.1
167.07063	13.5
175.07536	2.1
175.11217	3.1
175.14851	14.6
177.05362	1.9
177.16393	3.2
179.07057	12.8
179.14401	2.2
193.08640	5.4
193.12299	1.9
203.10674	3.8
203.17967	80.0
206.16298	2.4
209.04840	1.4
221.08289	2.4
221.11748	47.2
221.15529	20.0
221.19006	100.0
222.19455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
52.69020	1.3
53.03946	1.7
55.01858	2.3
55.05512	19.7
55.87217	1.3
57.03431	3.8
57.07071	7.3
59.05009	12.3
67.05505	24.0
69.03423	4.1
69.07069	52.9
70.76487	3.6
71.04981	5.5
73.06541	1.6
79.05494	14.7
81.03423	1.4
81.07056	58.6
83.04965	2.6
83.08625	10.9
85.06537	4.6
91.05470	14.1
93.07040	33.1
95.04977	3.4
95.08607	76.3
97.06525	6.1
97.10161	10.8
99.08075	2.1
103.05456	1.7
105.07031	48.0
107.04932	2.7
107.08598	50.4
109.06503	4.7
109.10160	51.9
111.08080	11.4
111.11716	29.3
115.05473	2.0
117.07075	2.2
119.08583	47.8
121.06490	2.6
121.10142	33.5
123.08067	5.7
123.11712	23.1
125.09636	14.3
133.06468	6.9
133.10126	41.7
134.03619	1.7
135.08035	2.9
135.11699	27.8
137.05988	1.6
137.09647	10.4
137.13208	7.7
139.11172	21.3
143.08578	2.0
143.72725	1.4
145.10126	2.7
147.08095	1.8
147.11684	41.7
149.13240	11.0
151.11183	16.4
159.11769	1.4
160.05098	1.7
161.05986	6.3
161.09613	7.3
161.13263	29.4
163.14841	23.8
165.05524	1.6
165.06940	1.8
165.12764	11.1
175.07520	2.9
175.11307	2.1
175.14825	20.4
177.09111	7.5
177.16376	6.3
189.09145	1.7
193.08580	5.2
193.15858	1.5
203.10735	1.5
203.17958	86.0
204.95250	2.0
206.11032	1.4
221.06064	2.9
221.08073	5.0
221.09811	3.0
221.11794	3.6
221.15392	7.3
221.19014	100.0
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
55.01873	4.0
55.05497	9.4
55.05717	1.9
57.07066	5.9
59.05013	3.0
65.03931	3.8
67.05506	70.8
69.07073	24.5
71.04987	13.4
71.56841	2.1
79.05485	16.1
81.07059	55.2
83.01321	3.4
83.08611	7.3
85.06538	3.2
91.05486	12.5
93.07045	28.8
95.04950	5.3
95.08606	77.8
97.06538	4.9
97.10161	5.9
98.21143	2.4
99.08097	11.2
105.07028	43.4
107.07869	3.3
107.08595	51.0
109.02869	6.4
109.06516	9.2
109.10159	100.0
111.04422	2.4
111.08085	3.1
117.07067	2.8
119.07780	3.6
119.08584	50.5
121.10138	37.5
123.08089	4.9
123.11691	15.2
125.09634	7.2
127.03909	3.7
129.07031	2.7
131.08530	2.2
133.10138	30.7
135.08025	2.6
135.11693	14.2
137.05962	7.6
137.09601	3.6
137.13243	3.8
139.03893	7.6
139.11168	5.8
145.10091	2.4
147.08023	4.0
147.11684	40.3
149.13271	21.0
151.07599	6.3
153.01834	13.6
153.05467	5.5
155.07047	10.3
161.09676	3.0
161.13260	33.5
163.14818	40.3
165.05496	3.7
165.09076	3.3
167.07056	22.7
175.07520	4.6
175.11218	2.4
175.14845	9.3
177.16400	47.6
179.07069	3.6
179.17929	3.6
193.08586	12.0
193.10161	2.4
193.12173	2.3
203.07053	5.4
203.10641	2.6
203.17950	98.1
204.18159	2.0
206.16109	2.5
221.08202	17.2
221.11693	41.6
221.13541	2.8
221.15367	5.3
221.19012	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.75246	1.3
53.03938	1.7
55.01870	1.5
55.05509	11.1
57.07058	3.8
59.47029	1.3
67.05165	1.6
67.05505	19.4
69.07071	16.8
71.04993	7.6
79.05488	11.8
81.07058	42.7
83.04972	1.6
83.08629	9.6
85.06543	1.7
91.05472	12.6
93.07046	29.2
95.04995	2.0
95.08607	69.0
97.06535	4.6
97.10171	3.6
98.21356	6.1
105.07031	47.2
105.07569	1.1
105.07746	2.1
105.33639	1.4
107.08595	48.8
109.06526	2.5
109.10162	47.7
111.08083	4.7
119.08582	95.8
121.06499	1.8
121.09309	1.9
121.10146	26.7
123.08085	3.6
123.11738	13.7
124.40676	1.3
125.09615	2.5
131.08571	1.8
133.06520	1.6
133.10136	42.0
133.99179	1.4
135.08023	1.7
135.11673	13.9
137.06007	2.0
137.09587	4.1
137.13208	2.0
143.08566	1.7
145.10135	3.3
147.11693	55.0
149.13242	6.4
151.11168	3.2
159.11703	3.5
161.09637	3.1
161.13252	33.6
163.14832	15.1
165.09152	1.5
165.12749	4.0
175.13286	2.0
175.14824	37.2
177.16354	2.9
189.09070	1.5
203.10648	2.3
203.17966	100.0
204.18488	1.3
206.11020	1.3
206.16139	1.5
221.08000	4.6
221.11707	4.3
221.15701	6.9
221.19012	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	2.3
55.05507	12.1
55.69168	1.3
57.07074	8.4
65.03922	1.3
67.05507	16.5
69.06713	1.8
69.07067	18.3
71.04996	10.4
71.58045	1.8
79.05114	1.5
79.05499	14.2
81.03418	2.8
81.06572	2.4
81.07059	45.1
83.04986	1.7
83.08637	6.6
85.06541	4.7
85.41947	1.2
91.05469	9.4
93.07050	25.8
95.04947	3.9
95.08608	51.8
97.06545	6.2
97.10149	3.4
98.20998	1.7
99.08073	2.1
105.07031	51.5
107.08597	46.8
109.06503	4.1
109.10164	31.1
111.08132	6.6
111.11720	1.9
115.05394	1.7
119.08584	37.7
121.06497	1.3
121.10141	21.2
123.08069	2.3
123.11711	21.9
125.09621	3.3
129.07022	1.6
131.08582	1.3
133.06496	3.0
133.10130	29.1
135.11696	14.1
137.09613	3.9
137.13268	3.8
138.78423	1.2
143.08551	1.7
145.10124	3.9
147.08131	1.6
147.11696	48.6
149.02351	3.7
149.13316	7.3
151.11188	9.6
153.01752	1.2
159.11685	2.0
161.05992	2.7
161.13275	20.9
163.14821	18.9
165.12775	9.3
175.07570	4.4
175.11302	1.6
175.14856	9.0
177.09164	3.1
177.16364	5.7
192.27293	1.2
193.08636	2.0
202.69635	1.5
203.10785	1.9
203.17955	72.9
206.05745	1.3
206.16202	2.1
221.07878	6.0
221.11720	3.2
221.15410	6.6
221.19019	100.0
238.48114	1.2
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
50.89127	1.5
55.01865	2.9
55.05512	10.7
57.07061	5.1
59.04976	2.7
67.05215	1.7
67.05508	18.9
69.03408	1.7
69.07066	18.2
71.04985	7.9
77.03897	1.5
79.05495	13.7
81.07057	56.5
83.08610	5.9
85.06549	3.6
91.05473	11.6
93.06468	2.2
93.07047	29.0
95.04943	3.0
95.08611	65.8
97.06544	10.9
97.10133	3.3
98.21104	7.2
99.08068	1.9
103.05438	1.5
105.07032	47.0
107.08595	44.5
109.06513	6.2
109.09444	2.6
109.10155	33.8
111.08077	5.0
117.07023	2.3
119.08580	49.2
121.06477	1.7
121.10145	24.8
123.08060	3.5
123.11703	23.1
125.09621	3.9
131.08543	2.5
133.06491	2.3
133.10138	34.6
135.11674	16.7
137.09583	4.9
137.13231	5.3
143.08649	1.9
145.10063	3.5
147.08032	1.7
147.11690	56.6
149.13205	7.2
151.03955	1.5
151.11197	5.5
151.14809	1.7
159.11668	2.7
160.12524	1.8
161.09657	4.1
161.13263	21.5
163.11293	2.2
163.14819	16.8
165.06969	3.2
165.12762	8.3
173.13268	1.7
175.07555	2.2
175.14819	15.4
177.16400	5.9
178.07881	1.5
193.06413	1.5
193.10043	1.6
203.17960	78.5
221.06024	3.2
221.07864	2.9
221.09634	3.7
221.11682	4.1
221.13361	3.9
221.15706	12.2
221.19006	100.0
229.10114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03936	3.8
55.01876	10.9
55.05513	19.1
57.03439	100.0
57.07064	6.0
65.36448	1.9
67.05167	4.3
67.05508	52.8
69.03413	3.1
69.07066	20.5
71.04996	4.3
71.57802	2.9
73.21922	2.2
79.05492	54.8
81.06565	4.2
81.07057	71.1
81.95892	2.8
83.04982	9.5
83.08612	11.5
85.02913	2.3
85.06541	14.9
91.05478	64.3
93.07044	78.8
93.07626	4.5
95.04989	16.1
95.08609	66.2
97.06541	21.5
97.10182	2.7
98.21114	2.4
99.04484	3.0
99.08099	6.0
101.06039	3.6
103.05470	2.2
105.07035	82.2
107.04964	9.8
107.08598	91.2
109.06520	16.9
109.10152	36.1
111.08079	39.0
115.05481	2.9
116.06229	2.9
117.07032	5.8
119.08581	84.7
120.08953	2.8
121.06502	8.0
121.10144	53.7
121.11006	3.6
123.04400	2.3
123.08090	21.0
123.11725	11.1
125.06049	5.0
125.09634	6.3
127.07588	3.0
128.06232	3.0
129.06979	10.9
131.08568	82.7
133.10139	36.4
135.08040	10.4
135.11650	13.8
137.05986	4.2
137.09619	53.3
143.08575	13.2
145.10075	10.3
146.10464	2.1
147.08087	15.2
147.11700	69.6
149.09622	97.5
151.07544	4.4
151.11182	6.8
157.10153	9.5
159.11687	6.2
161.09630	8.9
161.13246	25.9
163.14827	77.1
165.09114	5.6
165.12756	28.7
167.07042	5.2
175.11263	3.2
175.14807	24.5
177.16443	2.4
179.07097	3.9
179.14348	2.7
179.86345	2.1
185.13271	41.7
203.10840	2.7
203.14322	43.0
203.17972	38.4
206.10938	2.7
206.16190	3.7
221.08098	7.5
221.11717	9.5
221.13390	6.4
221.15396	50.6
221.19034	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	221.1536
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
51.44033	1.4
53.03931	5.1
55.01877	8.6
55.05515	35.0
57.07059	7.0
57.07299	1.5
59.04997	2.8
64.74051	1.4
65.03912	3.7
67.05508	25.7
69.03431	76.2
69.07074	16.8
69.35196	5.7
69.35616	7.7
71.04990	4.1
73.77859	1.4
79.05057	2.3
79.05494	33.2
81.07062	84.3
81.72569	1.3
83.04984	40.4
83.08620	10.5
85.06548	5.7
91.05482	17.8
93.07047	19.0
95.04966	11.5
95.08044	2.6
95.08613	31.3
97.06515	3.9
97.10157	3.4
98.21107	7.5
103.05476	3.0
105.06367	2.4
105.07034	25.9
107.04962	11.7
107.08598	21.9
109.06525	37.3
109.10165	36.0
110.07290	6.2
111.08085	25.9
113.06115	1.6
117.07032	6.1
119.04892	1.8
119.07787	3.0
119.08591	44.5
121.06561	9.1
121.10151	34.7
122.07281	4.2
123.08083	34.9
123.11697	5.2
125.09601	3.3
129.06963	2.4
131.08530	3.9
133.06464	4.4
133.10146	22.7
135.08046	6.7
135.11688	12.2
137.05989	56.6
137.09622	41.6
138.10399	8.2
139.11159	5.6
141.06976	1.8
143.08540	2.1
144.09369	1.8
145.10107	7.6
147.08076	9.7
147.11684	7.0
149.09584	5.4
151.07550	17.5
151.11223	3.9
151.14861	4.4
159.08089	2.3
159.11705	5.5
161.05989	4.6
161.09622	9.0
161.13254	12.2
163.11183	23.9
165.09128	5.8
170.11009	3.1
171.08017	2.2
175.07529	3.6
175.11195	2.2
175.14842	13.7
177.09108	14.1
177.12775	3.2
179.14323	3.6
185.13176	2.1
188.12059	2.4
192.15100	3.8
193.15878	26.8
203.07126	1.8
203.10760	3.6
203.14293	7.7
221.04613	2.0
221.08087	17.7
221.15379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03937	1.2
55.01874	50.6
55.05511	6.8
57.03431	0.6
57.07075	1.0
65.03931	0.6
67.05506	17.3
69.03427	1.1
69.07070	67.0
69.91505	3.0
71.05007	1.3
79.05495	25.2
81.07058	15.9
83.04996	3.2
83.08619	5.0
85.06541	1.3
91.05473	10.9
93.07042	10.5
95.04967	8.8
95.08611	35.1
97.06535	61.3
97.10143	0.6
103.05444	1.1
105.07036	23.0
105.76336	0.6
107.08599	10.6
109.06528	6.4
109.10152	4.7
111.04453	1.5
111.08090	2.2
115.07557	1.3
117.07027	2.0
119.08575	12.4
121.06551	1.7
121.10147	3.8
123.08072	100.0
124.08352	0.7
125.09650	5.0
128.06252	1.1
129.06984	2.5
131.08597	3.2
133.06459	3.3
133.10139	6.7
135.08043	5.6
137.05972	3.8
137.09625	8.3
141.05423	0.7
143.08556	3.1
145.10179	1.5
147.08058	5.5
147.11678	6.1
147.77182	0.6
149.09618	3.8
151.07547	23.6
153.05450	2.1
157.10114	1.7
159.11679	2.7
161.09607	5.3
161.13263	8.1
163.14815	0.8
165.09074	1.3
167.07040	1.2
174.10344	0.6
175.11208	1.3
175.14819	4.3
179.06952	0.8
179.10695	2.9
185.13287	7.5
193.15967	0.7
203.14322	16.3
203.17989	4.0
206.16316	1.0
215.08611	0.6
221.08113	0.7
221.11797	6.2
221.15361	23.4
221.18768	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03931	3.8
55.01883	9.4
55.05257	2.4
55.05511	33.6
57.07077	8.9
59.04975	3.0
59.35402	1.4
63.93804	1.6
65.03940	2.5
67.05515	28.7
69.03432	63.7
69.07066	17.0
69.79662	8.4
71.04982	4.5
72.67805	1.6
78.28728	1.8
79.05052	2.8
79.05494	38.1
81.07061	75.5
83.04985	37.1
83.08634	10.3
85.06532	3.9
91.05484	24.9
91.30043	1.6
93.07041	25.6
95.04980	12.9
95.08040	2.8
95.08604	32.1
97.06534	4.1
97.10165	3.4
98.20949	3.4
103.05409	3.2
105.04556	2.0
105.06373	2.7
105.07040	34.5
107.04982	9.9
107.08604	22.8
108.05714	2.5
109.02921	2.4
109.06528	35.7
109.10164	45.1
110.07296	5.9
111.08090	24.7
115.05457	2.9
117.07030	7.9
119.04910	3.6
119.08586	53.2
121.06522	9.4
121.10147	37.6
121.28860	1.7
122.07277	5.1
123.08083	38.4
123.11712	4.6
124.33416	1.9
125.09618	5.2
128.06256	3.5
129.07004	3.7
130.06631	2.4
131.08554	4.1
132.05762	3.2
133.06487	7.6
133.09241	2.3
133.10149	27.4
135.08070	7.7
135.11728	11.2
137.05986	47.2
137.09628	35.2
138.10381	7.7
139.11143	2.9
142.07785	2.2
143.08553	4.4
145.10147	9.0
147.08078	18.4
147.11697	9.1
149.02339	15.2
149.09621	7.5
149.13293	4.6
151.07550	17.3
151.11185	5.8
151.14786	2.7
157.10126	4.6
159.11716	5.3
160.05170	3.1
161.06027	8.1
161.09650	9.7
161.13269	14.1
163.11186	23.4
165.07022	2.5
165.09106	10.0
170.10944	3.3
173.13350	2.4
175.07538	6.1
175.11206	4.7
175.14836	12.8
177.05482	2.5
177.09138	23.1
177.12762	4.9
179.06941	2.2
179.10670	1.8
179.14345	2.3
184.73888	1.7
185.13274	2.6
189.05530	3.5
191.14468	2.3
193.06442	2.2
193.08572	4.9
193.15903	19.7
203.06993	3.1
203.10667	4.6
203.14362	9.7
203.17827	2.8
221.06062	3.7
221.08064	8.0
221.11797	7.1
221.15376	100.0
222.15710	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03941	2.2
55.01883	10.4
55.05510	6.8
57.03439	100.0
57.07074	1.7
61.63036	1.8
65.03929	2.0
67.05508	30.3
67.08230	1.5
69.03424	2.9
69.07071	9.0
69.62598	8.3
69.63005	3.4
71.05001	8.4
75.25954	1.3
79.05493	38.2
81.07061	40.8
83.04973	4.1
83.08646	3.9
85.06542	10.2
91.05484	48.4
93.07041	41.8
95.04968	9.4
95.08605	27.0
96.59064	1.5
97.06538	12.7
97.10181	1.8
98.21040	4.9
99.08086	3.8
101.06046	2.7
103.05470	3.2
105.07037	44.2
107.04973	9.5
107.08592	39.2
107.09289	2.6
109.06492	10.4
109.10174	11.9
111.08106	12.0
113.06018	3.2
116.06200	1.4
117.07018	5.7
119.08585	47.1
119.09463	2.3
121.06535	3.8
121.10149	22.3
123.08053	14.4
123.11744	3.0
125.06002	7.1
125.09621	3.2
129.07010	12.2
131.08569	69.8
133.10126	8.2
135.08055	8.5
135.11711	4.5
137.09621	48.3
139.11211	2.0
143.08626	9.7
143.09641	1.8
145.10138	6.2
147.08054	7.6
147.11688	34.1
149.09622	81.1
153.05496	2.3
157.10150	7.3
159.11694	3.2
161.09641	3.2
161.13292	6.1
165.12753	18.1
174.54037	1.7
175.11151	1.8
175.14835	12.2
177.05423	1.7
185.13243	30.7
203.14334	31.9
203.17964	6.5
209.08235	1.9
209.58492	1.8
221.08121	1.8
221.11749	5.4
221.15372	40.6
221.17773	2.0
221.18924	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	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46296	0.1
54.44973	0.1
55.05515	0.2
67.05487	0.2
69.03396	0.1
69.07050	0.3
69.91331	0.7
79.05466	0.3
81.07051	0.5
83.08648	0.1
85.37997	0.1
91.05469	1.2
93.07026	0.5
95.08596	0.4
98.21245	0.3
103.05470	0.3
105.07029	1.1
107.04934	0.2
107.08595	0.4
109.06493	0.2
109.10149	0.4
114.73005	0.1
115.05460	1.3
116.06255	0.7
117.06206	0.3
117.07018	5.0
119.04929	0.2
119.08604	0.7
121.06487	0.5
121.10121	0.2
123.08072	0.2
128.06226	1.1
129.06999	0.2
132.05716	0.3
133.06502	1.3
133.10115	0.5
134.07263	1.1
135.08080	1.0
135.11679	0.1
137.09619	0.2
143.04999	0.1
143.08560	1.1
144.05724	0.7
145.06502	0.9
147.04393	0.3
147.05502	0.1
147.08014	0.5
147.11681	0.3
149.05957	0.2
149.09669	0.2
160.05185	0.3
161.05995	1.2
161.09637	0.4
162.06772	5.1
165.07005	0.4
171.08073	0.6
175.07553	3.3
175.08969	0.3
175.11206	0.5
177.09109	100.0
178.09453	0.9
193.08591	0.4
203.10605	1.0
221.05995	0.3
221.08084	0.4
221.11584	0.7
221.15321	0.3
221.17383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03934	2.9
53.60246	1.1
55.01876	2.4
55.05268	1.3
55.05514	18.0
57.03409	1.8
57.07059	3.0
58.48638	1.0
59.04983	1.0
60.88280	1.1
65.03926	2.3
67.05502	15.3
68.99757	1.4
69.03435	10.8
69.06770	0.9
69.07063	10.8
69.69784	3.5
69.70190	1.9
71.04993	5.7
79.05490	17.5
81.03402	1.4
81.07056	30.5
82.95930	1.2
83.04957	4.0
83.08592	2.7
85.02888	2.9
85.06507	4.1
85.94439	0.8
91.05478	33.3
93.07049	25.4
95.01316	1.3
95.04972	7.8
95.08046	1.6
95.08604	26.6
97.06516	3.9
97.10114	1.2
98.20717	1.1
98.21304	2.9
99.08052	1.2
103.05432	4.3
105.07033	66.6
107.04951	2.8
107.08598	41.0
109.06515	8.4
109.09457	1.4
109.10162	22.9
111.08079	5.4
111.11700	1.2
113.02381	7.2
115.05430	7.9
116.06248	1.6
117.07005	12.0
119.04915	3.7
119.08583	66.8
121.02863	2.1
121.06512	51.1
121.10139	18.6
123.04442	1.1
123.07191	1.2
123.08075	17.9
123.11701	8.3
125.06003	1.7
125.09620	1.8
128.06209	3.1
129.06987	7.4
130.06537	6.3
130.07327	0.9
131.04910	3.7
131.08559	9.4
132.04454	2.0
132.09300	1.1
133.06512	13.9
133.10126	45.5
134.07202	1.5
135.04437	1.4
135.08038	11.5
135.11697	7.9
137.06041	5.5
137.09593	5.6
137.13255	1.8
139.03807	1.1
139.07553	1.3
139.11162	1.4
142.07768	5.4
143.08574	6.1
144.09337	4.8
145.06438	4.8
145.10126	6.1
146.03630	1.7
146.07234	2.3
147.04457	5.6
147.08070	9.4
147.11690	100.0
148.07510	1.1
149.02370	17.2
149.05956	1.4
149.09589	3.7
149.13286	5.1
151.03891	4.6
151.07524	4.1
151.11230	4.8
157.06453	1.1
157.07591	1.4
157.10132	8.5
158.06010	3.4
159.08095	1.9
159.11690	13.7
160.05200	2.9
160.08861	11.6
161.05988	19.9
161.09631	12.3
161.13254	31.0
162.06709	1.6
163.03835	1.0
163.07533	1.9
163.11201	2.7
163.14818	5.0
165.05463	8.6
165.06978	3.6
165.09094	3.3
165.12723	3.3
171.08063	2.1
173.05997	1.5
175.07530	16.0
175.11183	89.0
175.14767	10.6
176.07097	3.4
177.05533	2.2
177.09123	34.0
177.12650	5.2
177.16379	2.3
178.06126	1.2
178.07732	1.6
179.03371	1.9
179.10646	4.5
179.14267	1.8
185.13194	4.9
187.12260	2.4
188.08278	3.0
189.05540	5.2
191.06966	1.6
193.06712	1.7
193.08585	9.4
193.10176	1.5
193.12259	8.9
193.15924	1.7
203.06972	3.5
203.10660	20.0
203.14307	9.7
203.17978	11.9
206.05678	1.6
206.16153	2.8
221.04381	4.4
221.06111	2.0
221.08076	16.6
221.11697	58.5
221.15259	24.9
221.18982	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	221.1173
Annotation	Precocene II
Peak:m/z	Relative Intensity
55.05503	1.8
65.03928	4.0
67.05506	100.0
69.01098	0.9
69.03417	2.2
69.07067	2.1
71.45771	1.4
79.05491	4.6
81.06586	1.1
81.07060	16.2
83.01330	1.8
83.04975	2.3
91.05492	2.1
93.07056	2.2
95.04951	1.6
95.08591	2.0
97.06537	1.1
105.07036	3.5
107.08613	1.4
109.06493	3.5
111.04423	3.6
119.08566	3.3
121.06460	2.0
121.10135	1.4
123.08064	1.4
125.02364	2.3
125.05957	2.2
133.10049	1.3
135.08099	1.6
137.05991	3.8
139.07532	3.7
141.05426	2.5
147.08051	1.8
147.11711	2.1
151.07533	6.6
153.05455	12.2
155.07037	16.6
158.76369	1.0
161.09576	1.1
165.05496	2.5
165.09096	2.7
167.07050	52.1
175.07452	1.3
175.11250	2.2
175.14783	1.1
179.06990	2.3
191.06865	1.0
193.08618	3.3
193.12193	2.3
203.10606	1.7
203.14343	1.0
206.16399	1.1
221.08080	3.1
221.11726	93.2
221.15233	2.6
236.88939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Precocene II
Peak:m/z	Relative Intensity
55.01868	0.7
55.05510	2.9
57.03448	0.9
57.07073	1.7
65.03944	3.9
67.05506	92.9
69.03433	1.8
69.07090	3.0
69.07409	0.5
69.46685	4.4
71.04982	1.4
74.25544	0.6
79.05492	4.0
81.07055	12.3
83.01352	2.5
83.04973	3.3
83.08627	1.0
85.06572	0.7
91.05455	3.2
93.07050	4.9
95.04971	1.5
95.08613	9.8
97.06517	1.2
105.07025	8.1
107.08616	5.2
109.02876	0.7
109.06519	5.4
109.10165	5.5
111.04429	3.7
111.08087	1.7
117.07054	0.6
119.08588	7.3
121.06541	2.7
121.10147	3.1
123.08071	7.1
123.11707	2.6
125.02370	2.0
125.06000	1.6
125.09594	0.8
129.07016	1.4
131.08635	0.9
133.06485	1.1
133.10115	3.1
135.08026	1.0
135.11728	1.2
137.05951	4.5
137.09619	1.2
137.13260	0.7
138.06805	0.7
139.03951	0.6
139.07542	5.6
141.05452	0.9
142.07767	1.7
147.08058	1.8
147.11693	9.2
149.13237	1.1
151.07542	56.8
152.07892	0.8
153.05464	4.9
155.07036	15.7
155.08043	0.6
157.10094	3.5
160.08891	1.1
161.05975	1.3
161.09653	1.5
161.13235	3.6
163.14845	1.5
165.05478	1.5
165.09113	5.0
165.12790	1.2
167.07043	54.5
168.07336	0.6
175.07536	2.8
175.11197	5.4
175.14827	1.5
177.05478	2.1
178.06227	2.5
179.07065	5.8
179.10727	0.9
185.09656	0.8
188.08331	4.1
189.09138	0.7
191.07014	1.8
192.07796	1.4
193.08611	11.7
193.12241	5.0
203.10689	7.9
203.14404	0.7
203.17986	7.8
206.09366	0.7
206.16235	0.9
221.11726	100.0
221.19035	9.1
222.11996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.09669	0.4
56.96560	1.1
58.39654	0.4
70.69884	1.4
74.02407	0.6
82.02942	2.1
85.02915	0.8
94.06567	3.8
95.01353	0.6
95.33207	0.5
98.21073	0.6
98.97587	1.7
103.05502	0.6
107.04939	1.2
115.05472	1.1
120.08089	1.4
130.06531	69.3
131.01848	0.5
132.04456	44.7
140.04956	0.6
147.09207	0.8
148.07556	2.4
153.01828	1.5
155.04668	0.9
155.54759	0.8
156.06917	0.7
157.07620	34.8
158.06015	79.2
159.06308	1.0
161.06013	0.8
175.08675	100.0
176.07117	1.9
176.08818	0.8
177.39288	0.5
183.90013	0.6
185.07219	0.9
186.05498	3.6
203.08179	14.7
204.06616	4.3
220.62828	0.5
221.09227	20.3
221.15112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03868	0.8
55.05426	1.2
57.06977	1.9
57.07237	1.2
67.05395	3.2
69.03349	1.3
69.06960	2.2
69.07302	0.8
70.56961	1.4
79.05396	2.2
79.05856	0.7
81.03326	2.1
81.06954	3.7
82.02853	1.6
83.04862	0.8
83.08510	2.8
85.02813	0.8
91.05406	4.3
93.06935	2.4
94.06463	3.4
95.04875	1.3
95.08504	3.0
97.02828	1.2
98.21229	1.4
103.05396	2.0
104.04932	1.1
105.07037	4.2
105.20429	0.7
105.76293	0.7
107.04896	1.2
107.08606	3.4
109.06445	2.0
109.10071	3.4
111.08099	5.6
115.05374	3.0
117.06981	1.2
119.04902	0.7
119.08599	4.6
120.08080	1.3
121.06507	6.1
121.10091	1.9
123.07999	1.9
123.11669	0.8
128.06093	0.9
129.06923	2.0
130.06538	61.8
131.04880	1.0
131.06816	0.7
132.04463	37.9
133.06422	3.1
133.10144	4.1
135.08000	2.5
135.11612	0.9
137.05952	1.9
137.09570	2.7
145.10063	1.1
146.05919	0.7
147.04436	1.3
147.08035	1.8
147.09155	0.9
147.11647	1.3
148.07562	2.2
149.05931	1.1
151.11127	1.0
153.01778	3.0
153.09091	2.3
156.74570	0.7
157.06357	1.2
157.07631	22.6
157.10294	1.1
158.06026	82.4
159.08087	0.8
161.05975	8.0
161.09637	2.5
163.07475	0.7
165.05487	0.9
165.09142	1.2
175.08691	100.0
175.11208	2.7
175.14832	3.0
176.07085	3.3
176.09105	1.1
177.09113	1.1
179.10677	1.0
185.05936	1.0
186.05554	2.4
193.08607	0.9
193.15880	4.6
203.06828	4.0
203.10803	1.2
203.14481	0.8
204.06573	4.5
206.16328	2.2
221.00912	1.5
221.04596	2.3
221.09358	22.6
221.11855	2.6
221.13414	1.1
221.15523	4.6
221.18288	1.4
239.09671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.05502	1.6
55.44653	0.6
57.07074	5.8
59.05005	5.9
67.05513	6.1
69.07081	4.7
70.02962	6.2
71.11095	1.3
72.04523	14.7
73.02911	2.7
74.02454	1.8
78.98663	0.6
83.04961	1.5
85.06551	10.6
86.09694	1.6
87.08145	0.9
90.05560	100.0
93.45079	0.6
95.04974	7.2
96.08128	1.6
98.01808	1.4
98.02415	15.8
98.21063	1.0
100.03981	2.9
103.07584	7.1
113.06004	2.8
116.03463	13.2
124.07601	18.0
127.96026	0.6
131.07030	0.9
142.08629	7.8
156.10243	1.4
158.11758	2.6
160.09694	2.3
166.08652	2.5
172.09715	0.9
174.11278	2.6
184.09705	20.6
202.10757	27.5
205.15892	3.0
220.11813	32.4
220.17877	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Hyacinthacine C1
Peak:m/z	Relative Intensity
51.53352	0.3
53.62104	0.4
55.01861	1.0
55.05515	3.2
56.05028	0.7
56.96559	1.5
57.03440	2.7
57.07061	1.5
59.04982	0.5
60.04516	0.8
60.20945	0.4
61.02688	0.4
61.02931	4.3
67.05509	2.0
68.05033	1.9
69.03436	4.6
69.07065	0.6
69.93053	1.0
69.93456	1.0
70.02940	1.5
70.03774	0.4
70.06604	2.8
71.01342	0.8
71.04951	0.4
72.04519	3.0
72.07799	0.6
72.08162	5.9
73.02914	4.6
73.06561	2.3
73.08487	0.5
74.02429	0.4
74.06069	1.8
78.77868	0.4
81.03414	1.2
82.06572	3.9
83.04985	0.8
84.04036	0.7
84.04508	9.7
84.08130	1.0
85.02906	6.6
85.06548	4.4
85.08476	0.5
86.06068	1.6
86.09694	0.6
87.04455	0.6
88.03980	0.4
88.07647	0.7
90.05556	13.8
90.09208	2.3
91.05452	0.5
94.06554	0.8
95.01315	0.9
95.04967	1.0
96.04476	1.7
96.08104	0.7
97.02895	4.6
98.02410	1.5
98.03057	0.4
98.06059	1.7
98.21066	0.8
98.97578	2.5
99.04433	0.7
100.03963	0.8
100.07639	0.5
101.00889	1.0
101.02399	0.9
102.05545	7.0
103.00654	0.4
103.02405	1.1
103.03954	0.5
103.07584	0.9
104.01375	0.4
109.02849	0.6
109.72492	0.3
110.06047	2.2
110.09702	3.1
111.02885	0.8
112.07627	0.5
113.02355	3.0
114.05535	2.2
114.63934	0.4
115.02375	1.2
115.03932	0.8
116.02739	0.4
116.03410	1.8
116.07096	11.5
116.98637	1.3
117.02894	0.4
119.01933	3.7
120.02010	0.7
121.01698	0.9
121.03436	0.8
123.41649	0.4
124.07610	3.0
125.02386	0.6
126.03442	0.7
127.03907	1.5
128.02327	0.6
128.03412	1.7
128.07103	2.8
128.10698	1.5
128.98634	0.8
130.05022	1.9
130.06526	0.5
131.01895	1.2
133.01656	0.6
133.03407	3.3
133.04285	0.5
134.03554	0.5
134.99651	0.5
135.03067	0.6
135.04001	0.7
138.05461	0.7
138.09189	2.2
139.04202	1.0
141.03958	0.5
142.04939	2.0
142.08656	1.6
143.01909	1.3
145.01617	0.6
145.03445	0.9
145.10307	0.4
146.05965	0.9
146.08089	2.0
146.99698	0.7
147.03178	0.4
148.04758	2.2
148.06068	1.0
148.54840	0.7
151.04503	1.0
155.01843	0.5
156.06595	3.1
156.10191	5.1
156.13898	0.5
157.03418	0.7
158.08185	0.6
158.11842	0.7
158.99664	0.5
160.02994	0.5
160.06065	1.4
161.01208	0.4
161.02942	1.8
163.02643	0.6
163.04523	0.4
166.08586	0.5
168.99852	0.6
169.03584	0.8
170.99648	0.5
171.86610	0.4
173.02934	1.9
174.03203	0.9
174.05840	2.1
174.07623	8.4
174.11269	13.1
175.02664	0.6
175.04579	0.8
175.08636	0.5
176.04419	0.5
177.00742	0.5
177.02409	0.5
177.12807	0.7
178.04915	0.4
178.07115	2.6
179.02176	0.4
179.04021	0.5
182.03354	0.5
184.06097	0.9
184.09689	5.5
187.00882	1.0
187.04474	0.5
188.08530	0.5
189.00661	1.0
189.02379	0.8
191.03967	1.1
192.06538	0.8
197.01085	0.5
197.03018	0.9
200.04510	0.6
201.00696	0.7
202.05338	0.7
202.07097	2.3
202.10738	9.5
202.12668	0.5
204.14673	1.4
205.15906	3.0
215.00299	0.7
215.04002	0.5
220.08202	7.9
220.11806	100.0
220.17664	4.6
221.12236	0.9
227.03934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.02364	0.6
53.03943	2.0
54.23203	0.5
55.01873	2.2
55.05513	6.1
57.07073	1.5
65.03955	1.2
65.61060	0.5
66.26956	0.7
67.05510	22.5
69.03439	1.2
69.07074	5.4
69.61334	4.0
71.04990	0.8
77.03949	0.6
79.05500	24.4
81.03429	3.1
81.07063	18.8
83.04987	1.9
83.08626	2.4
84.65794	0.5
85.06548	1.2
91.05487	23.3
93.07053	22.8
95.04958	4.2
95.08618	13.1
95.78853	0.6
97.06523	2.2
97.10177	0.7
98.20959	1.7
105.06377	0.8
105.07035	10.4
107.04958	6.3
107.08600	12.5
109.06509	2.3
109.10153	4.9
117.07021	8.9
119.08592	9.6
121.06520	4.6
121.10155	12.3
123.04403	1.4
123.08078	2.2
123.11697	1.1
129.06993	1.0
130.07759	0.6
131.08583	14.2
133.10135	6.4
135.08072	1.2
135.11700	6.0
137.09715	1.4
139.02899	0.8
139.03923	8.7
143.08635	0.7
145.10138	7.9
146.06017	1.6
147.11658	2.1
149.09618	1.7
149.13307	1.6
153.05498	0.8
159.08148	0.6
159.11725	4.3
161.09650	1.0
161.13249	2.9
163.03963	2.0
163.11226	1.6
173.13310	1.7
175.14819	1.6
177.05464	1.7
177.09137	1.0
191.07007	2.2
191.10677	1.4
201.16383	4.4
203.14340	8.0
204.04149	1.4
209.09962	0.5
219.06631	5.6
219.10223	10.4
219.13858	2.5
219.17456	100.0
220.17807	1.9
233.90387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.21718	0.5
51.18795	0.5
53.03939	0.7
55.01879	0.7
55.05515	4.3
57.07067	1.8
67.05170	0.6
67.05510	7.8
69.07066	9.5
71.05001	3.2
71.08617	0.7
79.05501	5.9
81.07061	17.1
83.04980	1.1
83.08611	2.4
85.06544	2.6
91.04959	1.0
91.05484	11.4
93.07045	11.5
95.04942	1.8
95.08613	18.6
97.06549	5.0
98.32903	0.7
103.05444	0.7
105.07037	26.5
107.04908	1.4
107.08599	14.0
109.06503	2.6
109.09460	0.8
109.10164	10.0
111.08070	1.5
117.07032	5.9
119.08591	20.0
121.06489	2.8
121.10149	11.2
123.08038	1.7
123.11697	2.2
125.09615	0.9
129.06998	1.2
130.07771	0.7
131.08572	10.8
132.09384	0.7
133.10136	12.0
135.08069	4.2
135.11682	7.7
137.09651	4.6
137.13254	3.5
139.11185	1.5
144.09267	1.2
145.10135	15.9
147.11687	6.0
149.09616	1.3
149.13231	2.6
151.11150	1.0
153.05466	0.9
155.08627	0.6
157.10110	2.5
159.11707	26.9
161.09660	1.1
161.13263	15.7
163.11176	3.3
163.14832	0.7
173.13271	5.8
175.14830	12.0
177.05452	1.1
177.12767	1.8
177.16400	3.0
189.09108	0.7
191.14320	1.3
191.17981	3.1
201.12746	0.8
201.16396	15.0
203.14313	4.0
219.06552	1.0
219.10213	1.7
219.13849	5.6
219.17445	100.0
220.17816	1.8
237.13599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Millecrone B
Peak:m/z	Relative Intensity
53.03953	0.5
55.05512	1.3
57.07079	0.9
65.03963	0.4
67.05515	1.8
69.03441	1.9
69.07069	2.1
70.31374	0.3
71.04998	0.6
79.05495	4.1
79.64436	0.2
81.07060	37.1
82.07373	0.4
83.04986	0.7
83.08613	0.9
85.06537	0.3
88.08252	0.3
91.05491	2.0
93.07048	4.6
95.04949	0.6
95.08606	3.6
97.06538	2.4
97.10205	0.4
98.20898	1.7
105.07037	4.6
107.04963	0.4
107.08590	4.4
109.06544	1.1
109.10170	1.3
111.08112	0.5
115.05498	0.3
117.07027	1.5
118.06603	0.4
119.08595	5.7
121.06483	1.9
121.10146	4.2
123.08080	0.7
125.09625	0.7
129.07028	0.4
130.07726	0.3
131.08591	2.1
133.06491	0.4
133.10138	3.4
135.08057	2.5
135.11705	2.1
137.09616	2.1
139.11194	1.7
141.06999	0.3
141.84770	0.3
143.08574	0.6
144.09384	0.6
145.10112	3.5
146.06030	0.5
147.08057	0.6
147.11700	1.2
148.08907	0.3
149.09621	0.7
149.13266	0.6
151.11186	0.5
157.10118	0.5
159.11699	6.1
161.09633	5.5
161.13281	2.2
163.11185	3.8
173.13301	0.6
174.05486	0.4
175.11218	0.9
175.14844	1.2
176.11980	15.0
177.12764	2.0
177.16400	0.4
189.13014	0.4
191.14172	0.3
195.57454	0.3
201.16399	1.9
203.14339	6.2
209.47603	0.3
219.10355	1.5
219.17447	100.0
220.17844	1.3
229.45164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.57467	1.8
55.05494	6.8
57.07070	3.4
59.04980	2.6
67.05511	9.9
69.07070	13.8
71.04993	12.2
71.05302	2.0
71.15735	4.6
79.05475	9.3
81.07056	30.9
83.04977	2.0
83.08613	4.0
85.06524	3.9
91.05499	12.0
93.07048	35.5
95.04964	2.5
95.08606	33.5
97.06532	29.8
105.07030	31.4
107.08593	28.8
109.06509	5.1
109.10146	16.9
117.07014	8.3
119.07821	2.7
119.08593	33.9
120.83650	1.9
121.06479	2.9
121.10146	27.6
123.08109	3.0
123.11684	5.1
125.09655	9.4
129.75111	1.8
130.07838	5.2
131.08572	20.6
133.10129	14.0
135.11697	16.4
137.09630	3.4
137.13237	2.8
139.11172	3.6
143.08548	4.3
144.09343	4.3
145.10126	77.0
145.11281	3.6
147.11682	12.3
149.09578	2.8
149.13237	3.0
157.10051	3.0
159.11694	83.1
161.13264	21.4
163.11166	8.4
173.13304	3.1
175.14836	18.1
177.12758	5.4
177.16444	10.5
191.17993	17.1
201.16386	29.9
219.17432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.45897	1.1
52.71210	1.0
55.05504	4.6
55.61336	1.0
57.07069	1.4
59.05000	1.2
67.05511	6.1
69.07066	13.2
69.22534	2.3
69.22945	10.0
71.04980	6.3
79.05484	7.6
81.07067	16.3
83.04957	1.6
83.08610	5.2
84.46412	1.2
85.06550	3.2
91.05480	13.9
93.07046	19.1
94.45500	1.2
95.05047	1.5
95.08054	1.4
95.08609	18.9
97.06536	5.3
97.28783	1.1
98.21112	6.4
104.59541	1.1
105.07033	40.7
107.08603	22.7
109.06539	3.4
109.10169	11.8
111.08055	2.9
113.09624	2.5
117.07027	6.2
119.08585	36.5
121.06500	1.6
121.10145	16.8
123.08071	1.5
123.11697	2.3
125.09648	1.8
130.07820	1.5
131.08566	10.7
133.10136	35.1
134.10439	1.4
135.08054	3.4
135.11711	8.4
137.09647	3.2
144.09294	1.7
145.10126	22.6
146.11043	1.4
147.11688	13.3
149.09630	3.3
149.13307	5.5
151.11127	1.9
157.10072	2.2
159.11694	34.7
159.13025	2.0
161.13263	15.6
163.11165	8.9
173.13258	4.7
175.14830	59.9
176.12000	1.4
177.12733	7.5
177.16389	22.5
191.14342	3.1
201.16389	30.5
201.18250	2.2
203.14381	7.4
219.10194	3.7
219.17450	100.0
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	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03942	3.0
55.05504	5.4
57.03410	1.9
57.07066	2.6
59.05000	2.1
67.05504	14.1
69.07075	30.5
71.04653	2.0
71.04996	24.8
79.05482	7.1
81.07056	26.2
83.04969	8.8
83.08605	3.3
84.83570	2.2
91.05479	43.0
91.55651	1.9
93.07050	100.0
95.04951	4.9
95.08610	20.9
97.06517	11.9
98.20734	4.7
98.21429	7.2
105.07028	39.7
107.08609	32.4
109.06490	2.5
109.10156	36.9
111.08070	5.5
112.73882	2.1
114.16675	1.9
117.07005	8.5
119.08582	36.5
119.09370	4.0
121.10152	22.5
123.08034	2.9
123.11685	3.7
125.09628	51.6
129.06947	3.0
131.08543	18.8
133.10135	44.5
135.08083	4.9
135.11667	6.8
137.09628	3.5
143.08580	2.1
144.09293	2.8
145.10135	30.7
147.11671	5.2
149.09627	5.4
149.13278	4.4
150.10422	5.2
151.11150	3.4
157.10126	3.6
158.10921	2.0
159.11703	49.0
161.09570	2.6
161.13271	29.2
163.11205	7.8
173.13303	5.3
175.13499	2.7
175.14851	35.1
177.12782	7.8
177.16423	14.3
201.16364	23.6
203.14378	12.5
219.14037	4.2
219.17444	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03936	4.1
55.05497	6.4
57.07067	3.0
62.66702	1.5
67.05225	1.3
67.05505	12.5
69.06723	1.9
69.07072	28.9
71.04994	26.9
71.08617	1.5
72.29134	1.4
79.05488	7.7
81.07056	22.2
81.42025	1.6
81.52486	1.6
83.04973	6.8
83.08611	4.5
85.06544	2.5
91.05481	31.9
93.07046	100.0
95.04965	4.0
95.08598	14.8
97.06529	8.9
99.08128	2.1
105.07034	41.8
107.08601	27.6
109.06518	2.3
109.10153	39.3
111.08125	2.5
117.07020	6.7
119.08587	38.1
121.06515	1.6
121.10145	18.3
123.08088	1.6
123.11726	2.9
125.09632	42.3
130.07787	1.5
131.08556	15.9
133.10133	33.5
135.08023	4.3
135.11691	4.5
137.09628	2.8
141.36322	1.3
144.09340	3.4
145.10124	26.4
147.11688	5.7
149.09621	3.2
149.13290	3.3
150.10388	6.1
151.11195	1.8
157.10101	2.1
159.11687	46.4
161.13251	33.4
163.11200	8.1
173.13225	3.7
175.14827	39.7
176.11955	1.7
177.12746	4.8
177.16454	7.4
201.16368	17.5
203.14217	2.3
219.17451	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03941	0.6
55.01853	0.8
55.05511	2.3
57.07067	0.9
57.72760	0.5
63.32706	0.4
65.03915	0.5
67.05505	2.7
69.03417	0.6
69.07059	2.3
69.36988	1.7
69.37409	1.8
71.04985	1.8
78.04670	0.7
79.05483	3.8
81.03437	0.4
81.07063	6.1
83.04979	1.0
83.08632	0.5
91.05482	14.2
92.90388	0.4
93.07045	5.7
95.04951	1.5
95.08131	0.4
95.08616	4.7
97.06512	0.9
97.10140	0.5
98.20613	0.4
98.21175	1.7
99.08075	0.5
102.04687	0.4
103.05471	3.3
104.06269	3.0
105.06381	0.7
105.07032	10.2
107.04932	2.0
107.08591	5.9
109.06494	1.6
109.10140	2.9
111.08043	0.4
111.34377	0.4
115.05452	8.7
116.06258	2.2
117.06228	0.5
117.07018	8.3
118.07775	0.6
119.04956	0.7
119.08589	6.1
121.06505	1.2
121.10155	5.0
123.08075	1.3
123.11692	0.8
125.09631	2.2
128.06207	3.2
129.06995	4.1
130.07771	1.6
131.04929	6.2
131.08577	5.4
132.05719	4.9
133.06493	1.0
133.10136	7.8
135.08055	2.7
135.11685	2.6
137.06047	0.5
137.09598	0.5
141.07011	1.8
143.08548	0.5
144.05692	2.2
145.06490	5.6
145.10120	5.0
146.07242	0.9
147.08043	7.0
147.11656	2.3
148.05164	0.7
149.09593	1.4
149.13217	1.2
151.03937	2.8
157.06459	2.0
157.10165	0.6
158.07217	1.9
158.10864	0.6
159.03001	0.4
159.04433	0.9
159.08029	3.4
159.11708	5.0
160.05209	5.4
160.08888	0.4
161.05948	1.6
161.09612	1.7
161.13234	3.1
163.07538	0.8
163.11151	1.7
163.14772	0.5
173.05971	0.8
173.09596	1.2
173.13235	2.3
174.05237	0.4
174.06767	13.4
175.07547	35.2
175.14854	2.2
176.08154	0.8
177.12788	0.9
177.16365	1.0
185.05821	0.4
186.06819	0.6
187.07504	1.5
188.08238	0.7
189.09099	4.1
191.07010	1.0
191.10686	0.7
191.17900	0.7
201.09085	3.5
201.12708	1.0
201.16399	4.5
203.14322	6.2
219.10159	100.0
219.13753	3.3
219.17419	33.7
219.21317	2.0
220.10484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
51.02374	0.4
53.03939	0.4
55.01859	0.5
55.05512	2.0
57.07070	0.9
66.18060	0.4
67.05162	0.4
67.05482	1.7
69.03409	0.6
69.07051	1.1
69.80645	2.0
70.06583	1.0
78.04704	0.4
79.05481	2.4
81.07064	2.7
83.04972	1.0
88.07629	1.4
89.07968	0.5
91.05480	11.5
93.07050	2.4
93.19884	0.4
95.04922	0.6
95.08608	1.5
97.06519	0.4
98.20851	0.7
98.21400	0.6
103.05463	2.9
104.06269	3.1
105.07041	4.9
106.08651	0.7
107.04962	1.4
107.08576	3.6
109.06520	0.8
109.10143	0.6
111.08082	0.5
115.05459	8.4
116.06219	1.1
117.07014	6.3
119.04970	0.5
119.08591	3.4
120.05717	0.4
121.06512	0.9
121.10171	3.2
123.08064	0.7
125.09624	0.6
128.06201	2.7
129.07013	3.7
130.07776	0.8
131.04922	4.8
131.08577	3.8
132.05710	5.1
132.14175	0.4
133.06493	0.9
133.10138	3.5
135.08060	5.6
135.11682	1.1
137.09634	0.5
141.06975	2.0
143.04953	0.8
144.05710	1.8
144.09372	0.4
145.06488	5.6
145.10114	2.5
146.07234	0.7
147.08054	6.6
147.11652	1.2
148.05197	0.6
149.13222	0.5
157.06464	1.5
158.07318	2.0
159.04443	0.6
159.08069	2.9
159.11737	2.2
160.05211	6.5
160.08907	0.5
161.05957	1.6
161.09593	0.9
161.13252	1.5
162.06750	0.4
163.07556	0.7
163.11145	0.9
169.06461	0.5
173.05972	0.5
173.09648	0.6
173.13234	1.3
174.06778	14.1
175.07552	36.2
175.14879	1.2
176.04599	0.4
176.08099	0.8
177.12782	0.4
186.06764	0.7
187.07533	0.7
188.08322	0.8
189.09073	3.6
191.06944	0.8
191.08488	0.5
191.10643	0.6
191.14310	0.6
201.09137	2.6
201.12785	0.6
201.16428	2.1
201.20422	1.0
203.14320	3.3
219.10170	100.0
219.13759	4.4
219.17404	15.3
219.21468	10.7
220.10535	1.5
238.11679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.34798	1.2
55.05493	1.9
57.03416	1.3
65.03931	1.3
67.05489	3.7
68.21400	0.9
69.07067	3.0
70.72019	2.2
70.72377	1.6
71.04974	2.2
71.28268	1.0
79.05486	2.7
80.62505	1.1
81.07048	5.0
83.05016	1.7
91.05485	14.1
93.07040	4.6
95.08594	4.3
102.16734	1.1
102.66765	1.0
103.05455	3.9
105.07048	8.8
107.08617	6.6
109.10148	3.1
114.97095	1.3
115.05430	10.4
116.06216	3.9
117.07053	5.1
119.08572	7.9
121.06482	1.6
121.10126	6.7
123.04450	1.0
123.08073	1.1
128.06221	7.9
129.07002	41.8
130.07716	3.1
130.12440	1.0
131.04970	8.2
131.08562	38.5
132.05728	1.5
133.10138	13.2
135.04405	1.0
135.08055	4.8
135.11708	1.5
137.05977	3.2
141.06993	33.3
142.07837	1.3
143.04930	1.5
143.08542	2.3
144.05690	7.0
145.06461	9.8
145.10069	6.2
146.07249	4.0
147.08026	2.4
147.11632	2.8
148.05148	2.8
149.05971	1.4
149.09604	1.3
151.03896	14.6
151.07536	1.5
155.06020	1.8
156.05754	1.0
157.06482	20.6
158.07283	22.8
159.04411	3.8
159.08054	26.2
159.11684	5.0
160.05202	5.8
161.06036	1.6
161.09589	4.4
161.13264	2.2
163.07550	4.3
163.11211	1.7
169.06499	15.8
170.07285	6.4
171.04425	1.3
173.05963	5.0
173.09610	2.0
173.13313	2.8
174.06766	70.7
175.07532	18.7
177.05530	1.2
177.09128	1.5
186.06755	18.3
187.07506	2.7
188.08315	3.6
189.09105	89.2
190.09506	1.6
191.07007	3.6
191.10643	7.3
201.05396	1.2
201.09102	34.3
201.12720	1.1
201.16382	3.9
203.14348	9.0
219.06696	2.7
219.10167	100.0
219.13750	5.9
219.17421	36.0
222.32951	1.1
226.39201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
57.06818	0.4
57.07078	4.7
58.06602	0.4
58.07414	2.6
58.47197	0.2
62.06097	0.6
67.05506	0.3
69.07067	0.3
70.06598	8.9
71.02459	0.4
71.06927	4.4
71.08641	2.6
72.08971	1.9
79.05494	0.2
80.44624	0.3
81.07043	0.3
85.92267	0.2
88.07635	13.1
89.07405	0.5
89.07967	6.2
91.05484	2.3
91.89232	0.2
93.07065	0.5
95.04932	0.3
95.08570	0.3
100.75277	0.2
102.09188	4.0
102.64478	0.3
103.09499	1.8
105.07030	1.1
106.08671	7.0
107.08350	0.3
107.09054	2.9
109.10137	0.4
115.05461	1.6
116.06252	0.6
117.07009	0.7
119.08579	0.5
120.59743	0.2
121.10159	0.6
128.06236	1.5
129.07011	6.9
130.07773	0.6
131.04916	1.4
131.08580	6.0
133.10167	0.5
135.08063	0.4
137.05917	0.5
141.06989	4.8
143.08578	0.6
144.05745	1.1
145.06496	1.3
145.10117	0.7
146.07249	1.1
147.08231	0.3
149.05910	0.3
157.06502	3.0
157.10225	0.3
157.17827	0.3
158.07280	3.1
159.04424	0.6
159.08047	4.5
159.11621	0.3
160.05208	0.9
161.05910	0.3
161.09589	0.6
161.13228	0.4
163.07544	0.3
169.06468	2.1
170.07253	1.0
173.05962	0.7
173.09647	0.4
173.13220	0.4
174.06773	10.9
175.07541	2.5
175.18886	0.8
186.06763	2.6
187.07536	0.4
188.08287	0.5
189.09120	13.7
191.10681	1.2
201.09134	5.4
201.16440	0.6
201.20457	8.3
203.14319	0.9
219.10190	15.6
219.17407	3.9
219.21500	100.0
220.21906	0.2
224.46877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05510	1.1
56.33448	0.6
56.84072	0.7
67.05498	1.2
69.52944	5.6
75.42135	0.7
77.80708	0.7
79.05484	1.7
81.07072	1.7
91.05479	11.9
93.07029	1.5
95.04953	0.8
95.08604	1.3
98.20888	2.1
103.05444	3.5
105.07033	3.5
107.08549	1.5
109.10160	1.0
115.05458	12.1
116.06255	3.9
117.07016	2.5
119.08578	3.4
121.06523	0.8
121.10110	2.5
122.71670	0.8
128.06229	10.1
129.07013	38.4
130.07771	2.8
131.04938	7.9
131.08575	38.8
133.07544	0.8
133.10136	2.4
135.07988	0.8
137.05989	2.8
141.06992	37.2
143.04996	1.6
143.08554	3.0
144.05714	5.0
145.06483	8.9
145.10162	2.0
146.07269	5.4
147.08061	1.0
147.11635	1.0
148.05193	2.0
151.07544	1.1
155.06075	1.3
157.06503	21.0
158.07285	22.2
159.04486	3.8
159.08063	25.2
159.11670	2.0
160.05206	5.6
161.06038	1.6
161.09662	4.0
162.06746	1.0
163.07504	2.7
168.05786	1.8
169.06470	15.3
169.07668	1.2
170.07292	8.0
171.08138	1.4
173.05962	4.8
173.09685	2.2
173.13228	1.1
174.06770	81.9
175.07568	13.4
176.08379	1.1
185.06029	1.8
186.06769	17.8
187.07457	2.0
188.08380	3.8
189.09116	97.8
190.09631	1.2
191.07065	1.4
191.10684	7.4
201.09125	40.9
202.09460	1.1
203.14328	3.9
219.10172	100.0
219.17413	17.1
220.10498	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.88572	0.9
57.03431	2.2
62.03806	0.7
67.05495	1.5
69.07045	0.9
70.01001	3.7
70.01414	1.5
79.05492	1.4
80.58188	0.7
81.07063	2.9
91.05473	10.8
93.07029	1.9
95.04919	0.9
95.08617	1.1
98.21253	1.9
103.05470	2.7
105.07007	3.6
107.08588	1.6
115.05441	11.2
116.06221	3.5
117.07021	4.2
119.08559	2.4
121.10095	1.6
128.06212	9.2
129.07008	42.9
130.07773	3.2
131.04919	8.1
131.08569	38.3
133.10118	3.5
137.05974	3.4
141.06996	34.7
141.08113	1.6
143.04865	2.0
143.08578	2.9
144.05710	5.6
145.06483	8.5
145.10146	2.8
146.07289	4.5
147.07951	1.1
148.05203	1.8
155.06047	1.7
155.07260	0.9
155.08594	1.0
157.06491	18.6
158.07274	23.3
159.04451	4.6
159.08058	29.0
159.11639	2.3
160.05206	5.4
161.05901	1.4
161.08440	0.9
161.09608	4.9
161.13295	0.8
163.07520	1.8
163.11165	0.9
168.05754	1.9
169.06464	15.4
169.07649	1.7
170.07254	5.7
171.04439	1.1
171.08054	1.3
172.05167	1.0
173.06033	5.1
173.09631	1.8
173.13246	1.5
174.06769	80.4
175.07550	12.9
176.08334	0.8
177.09123	0.9
185.06152	1.1
186.06773	20.0
187.07559	2.4
188.08331	5.6
189.09109	100.0
190.09602	1.7
191.06963	2.4
191.10683	8.2
201.09111	42.5
201.16359	2.2
203.14325	3.2
219.10172	93.0
219.13719	2.8
219.17401	15.1
220.10529	1.6
227.81815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05504	1.7
55.89821	1.0
57.03416	3.0
65.25831	0.8
67.05502	2.3
69.03439	1.9
69.07056	1.2
69.92190	1.8
69.92596	3.8
79.05494	2.1
81.07050	2.2
83.04960	1.1
85.02922	2.4
87.56624	1.0
87.65755	0.9
91.05483	11.3
93.07029	2.4
95.04966	1.9
95.08622	1.8
98.20834	2.1
98.21388	1.6
103.03912	1.4
103.05453	2.4
105.07021	3.7
107.04973	1.3
107.08562	1.5
109.06496	1.2
115.05471	9.4
116.06253	3.6
117.05490	3.6
117.07010	5.2
119.08563	3.3
121.06481	1.4
121.10139	3.1
123.08099	1.0
128.06230	8.1
129.07013	40.6
130.04160	1.0
130.07741	2.8
130.32468	0.9
131.04935	8.6
131.08577	38.3
133.06477	1.1
133.10136	3.2
135.08000	2.0
135.11629	1.3
137.05991	4.1
141.07001	35.6
143.04936	1.9
143.08553	3.2
144.05743	7.6
145.06490	8.0
145.10080	3.0
146.07256	4.7
147.04419	1.7
147.08069	0.9
149.09589	1.4
155.08582	1.1
157.06488	23.2
158.07291	24.7
158.08620	1.3
159.04428	2.9
159.08067	30.3
159.11719	2.8
160.05222	4.8
161.05984	2.7
161.09647	4.8
161.13261	2.6
163.07541	2.5
169.06485	15.7
169.07751	1.9
170.07288	6.7
171.08081	1.4
173.06018	7.1
173.09486	1.1
173.13167	1.0
174.06775	76.4
175.07513	12.5
176.04555	1.1
176.08325	1.6
177.05551	1.1
186.06779	16.5
187.07518	4.1
188.08327	4.3
189.09125	100.0
190.09479	1.3
191.06969	2.0
191.10704	7.2
201.09123	39.4
201.16240	1.1
203.14323	12.9
219.10176	98.2
219.13774	4.0
219.17430	41.2
219.19601	1.2
220.10495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.89721	1.0
51.14417	1.0
53.03934	1.6
55.01866	2.2
55.05511	5.2
57.03441	1.3
57.07079	1.2
60.82061	0.9
62.91149	1.0
67.05508	5.7
69.03423	1.4
69.07070	5.4
69.91986	4.5
71.04970	3.4
79.05503	5.5
81.06691	0.9
81.07059	8.7
81.99342	1.1
83.04961	2.2
83.08620	1.7
85.06551	1.7
91.05475	17.5
93.07056	11.8
95.04940	1.4
95.08607	7.3
97.06535	2.5
98.21217	2.9
103.05457	3.7
105.07031	14.8
107.04967	2.7
107.08596	9.1
109.06500	2.5
109.10144	5.7
111.08110	1.3
113.09723	1.0
115.05463	12.1
115.65380	1.1
116.06220	4.3
117.07047	7.1
119.08585	9.9
121.06509	4.3
121.10171	11.7
123.08054	3.2
128.06235	9.1
128.98744	0.9
129.07011	43.3
130.07835	2.2
131.04932	8.9
131.08577	43.7
132.05704	1.1
133.10129	10.4
135.08057	6.1
135.11678	3.7
137.06009	4.0
141.07002	36.6
142.07802	1.2
143.08578	4.2
144.05704	6.7
145.06531	9.4
145.10097	9.6
146.06122	1.4
146.07210	5.1
147.04469	2.2
147.11668	4.7
149.09616	3.1
149.13263	1.4
150.10397	1.6
151.07529	1.3
155.05960	1.6
155.08485	1.1
157.06477	18.8
157.10117	1.4
158.07285	20.7
159.04437	4.0
159.08066	28.3
159.11671	11.8
160.05145	5.1
161.05975	2.6
161.09637	7.5
161.13293	7.4
163.07579	2.2
163.11188	4.3
169.06480	14.9
169.07678	2.0
170.07292	8.3
173.05989	6.3
173.09608	2.7
173.13268	4.1
174.06776	76.6
175.07545	12.9
175.14844	6.1
177.09174	1.5
177.12779	2.3
183.08096	1.1
185.05884	1.8
186.06793	16.1
187.07518	2.2
187.11287	1.4
188.08324	3.7
189.09119	100.0
191.07065	2.0
191.10687	7.5
191.17854	1.4
201.09105	42.8
201.12779	2.4
201.16429	8.0
203.14326	23.5
219.10167	95.9
219.13786	6.3
219.17445	99.8
220.10458	1.2
234.38115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01864	0.8
55.05505	1.2
57.03436	1.7
64.52850	0.6
67.05494	2.9
68.73192	0.6
69.07043	1.3
71.03152	1.6
71.04988	0.7
75.63673	0.6
79.05481	3.0
81.07072	3.4
91.05477	12.1
93.07054	3.5
95.04938	0.9
95.08581	3.1
103.05467	3.1
105.07020	5.5
106.91048	0.6
107.08579	2.7
109.06509	1.7
109.10153	2.2
111.08014	0.8
115.05457	10.3
116.06219	3.1
117.07021	4.8
119.04951	0.7
119.08558	4.2
121.06509	1.1
121.10133	2.8
121.10893	0.7
125.09615	0.7
126.26933	0.7
128.06223	11.1
129.07005	41.3
130.07756	2.9
131.04922	9.2
131.08569	38.6
133.10146	4.1
135.08038	1.6
135.11708	1.6
137.05945	4.1
137.44106	0.7
140.06236	0.8
141.06989	39.6
142.07646	0.8
143.04907	2.0
143.08545	2.4
144.05727	6.8
145.06485	8.1
145.10130	3.9
146.07266	5.9
147.08058	0.7
147.11658	1.7
148.05215	1.3
149.05962	1.0
151.07565	1.1
153.06966	0.8
155.06055	1.3
156.05743	1.1
157.06491	24.4
158.07268	23.3
159.04453	3.8
159.08058	27.0
159.11670	3.5
160.05196	5.6
161.05899	0.9
161.09663	4.1
161.13242	2.0
162.06702	1.3
163.07532	2.9
163.11128	1.0
168.05652	1.0
169.06464	15.3
169.07690	1.1
170.07265	8.7
171.04518	0.8
171.08041	1.8
171.39857	0.8
173.05988	4.5
173.09639	1.3
173.13258	0.8
174.06766	80.2
175.07553	11.9
175.14830	0.8
177.09045	0.8
177.16451	0.8
185.05969	1.1
186.05084	1.2
186.06760	19.2
187.07481	1.8
188.08315	4.4
189.09106	100.0
190.09427	1.8
191.07030	1.4
191.10654	8.3
191.14395	0.7
196.67627	0.7
201.09105	39.1
201.16356	3.3
203.14305	5.2
219.10164	98.1
219.13745	2.6
219.17429	27.0
220.10413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61564	21.8
65.24096	23.7
69.86751	48.8
69.87155	100.0
84.08145	91.2
92.53738	26.1
98.20844	27.7
98.21372	38.0
98.97579	44.2
130.12340	60.8
144.10146	45.6
173.02989	27.3
219.02695	63.7
220.11777	98.8
233.65285	26.8
233.68382	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	219.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05520	6.6
56.96569	33.7
57.03424	5.2
57.07063	1.8
59.05004	6.2
61.02917	3.7
65.47856	1.7
67.05499	3.5
69.03430	6.5
69.07063	3.3
69.61916	1.7
70.06566	2.8
70.18182	2.4
70.18567	4.7
71.01351	5.4
71.04981	3.3
72.08147	4.0
73.02917	7.0
73.06554	6.7
73.17464	1.4
74.06097	8.0
75.04471	5.0
77.08121	1.4
79.01852	3.4
79.05489	3.2
81.03425	2.7
81.07066	2.2
82.99833	1.8
83.04974	4.8
84.08155	10.1
85.02895	10.8
86.09700	2.8
90.33752	1.3
91.05470	5.4
91.12690	1.2
93.07038	3.5
95.08601	3.7
97.02341	1.8
97.02885	8.4
98.21114	2.9
98.97588	61.4
99.04453	2.9
100.02477	1.3
101.00878	21.5
103.00657	2.3
103.03953	4.5
105.07021	2.9
106.02821	1.5
107.08612	2.5
109.02869	1.7
110.97568	5.4
111.04448	2.2
112.99142	4.0
113.00857	3.4
115.00707	2.4
115.02393	1.6
116.98633	37.6
118.92077	2.5
119.01923	94.4
119.04916	3.0
119.08618	6.2
120.02049	4.0
121.01661	7.0
121.10152	8.3
124.07732	1.4
127.03930	3.6
128.98618	7.3
129.03961	3.4
129.07062	1.2
130.00920	1.4
130.06540	1.5
130.12263	9.0
131.00175	5.6
131.01920	24.5
131.03436	2.3
131.08543	2.0
133.01720	5.0
133.03439	3.9
133.10130	6.2
134.99658	19.2
135.11681	3.1
136.93111	7.9
137.02962	28.5
137.05942	3.7
139.02667	2.7
140.98633	1.4
143.01898	9.6
143.03395	2.7
144.10197	5.3
145.01732	1.5
145.03497	5.3
145.10126	2.9
146.99631	3.4
147.03259	6.4
147.04259	2.0
149.01186	3.2
149.02931	7.5
151.02847	1.5
153.00702	3.0
153.01826	24.2
153.02972	2.7
154.94185	20.9
155.01913	4.4
157.03490	1.5
157.07388	1.5
158.99646	10.9
159.00967	1.8
159.01392	1.3
159.02890	9.2
161.01216	3.8
161.02960	16.0
161.04225	1.8
161.09665	2.4
161.13298	5.9
163.02698	3.2
163.03996	1.6
165.04256	3.7
167.01833	1.3
169.04391	1.9
171.01314	1.7
172.93828	2.2
172.95261	40.5
173.01241	4.3
173.02931	24.1
173.04390	0.8
174.99109	2.3
175.02646	1.4
175.08638	2.7
175.14955	1.7
177.00717	15.1
177.02309	2.4
177.04269	10.6
177.05792	2.1
178.04938	2.9
183.01340	2.6
188.12035	1.5
189.00749	2.9
189.02425	2.5
190.96376	19.1
191.02354	2.6
191.04007	13.6
193.00267	2.0
193.03825	2.8
195.01720	2.4
195.03490	1.8
195.05348	3.5
195.96817	2.8
196.04547	5.3
199.04451	1.5
201.02451	73.6
203.04083	2.1
203.14333	33.6
208.04747	1.9
215.04018	2.4
217.05692	1.7
219.01886	5.0
219.03514	99.7
219.05139	4.3
219.07303	6.8
219.17439	100.0
220.03627	1.7
224.04144	2.2
237.02768	6.9
237.06412	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
55.05512	13.1
57.07076	3.1
59.05009	3.5
67.05508	3.4
68.28572	0.7
69.03441	1.3
69.07071	23.3
69.37331	2.9
69.37757	2.7
71.08643	0.7
73.81946	0.6
79.05482	1.8
81.07064	7.6
83.04984	17.7
83.08620	3.8
85.06554	1.3
85.79349	0.6
87.04460	1.8
89.02401	1.2
89.06026	3.4
90.35957	0.7
91.05472	7.4
93.07036	4.9
95.08618	4.9
97.06529	0.8
98.20779	1.4
98.21437	1.4
99.04478	1.3
101.06035	5.0
105.07036	23.9
107.08598	8.2
109.06506	1.7
109.10149	2.4
111.04446	22.6
113.06003	2.3
114.19736	0.7
115.05405	1.9
117.07043	4.1
119.04927	1.4
119.08587	18.4
121.06516	3.2
121.10127	3.7
123.08051	0.8
127.07572	3.8
128.06210	6.4
129.05518	4.8
129.07007	7.2
130.07768	1.0
131.08575	17.4
133.06490	2.0
133.10139	10.8
135.08098	1.6
135.11707	2.0
137.09689	1.1
141.06956	3.5
142.07790	28.3
143.08583	17.1
144.09367	2.2
145.06468	0.9
145.10133	6.0
146.07236	0.8
147.08075	5.3
147.11703	8.6
148.08800	1.4
149.09593	2.8
155.07024	29.3
155.08514	5.6
156.05704	3.0
156.09349	17.6
157.10132	100.0
158.10605	1.1
159.08058	1.4
159.11696	21.2
160.08801	1.4
161.08466	1.0
161.09653	12.0
161.13248	2.5
169.10117	3.0
170.10901	12.6
171.11697	37.0
173.08104	16.3
173.13252	9.3
174.06798	0.8
174.14038	0.8
175.07494	0.9
175.11192	13.6
175.14832	5.5
184.12502	4.4
189.09081	0.8
189.12776	1.9
189.16393	8.6
199.09691	1.5
199.14830	31.4
202.06250	1.0
217.08588	7.8
217.10713	15.5
217.15884	64.0
217.19437	2.9
218.16251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32050	0.6
55.05516	5.4
57.07077	1.3
67.05168	0.8
67.05507	10.1
69.07064	3.3
71.57396	0.6
71.57865	0.8
74.09733	1.7
79.05497	11.5
79.05947	1.1
81.07062	11.2
83.08634	1.6
86.82438	0.6
91.05487	17.4
91.86966	0.6
93.07053	9.6
95.08610	11.1
97.10155	0.6
98.21140	0.8
98.98482	0.8
103.05476	0.6
105.04564	0.8
105.06377	1.3
105.07038	15.9
107.08588	7.5
109.10152	2.2
115.05458	0.8
116.06148	0.7
117.07024	19.2
119.08586	12.8
121.10149	7.6
128.06184	0.6
129.07011	3.2
130.07782	1.4
131.08578	37.2
133.10144	16.5
135.11717	3.4
143.08545	1.8
144.09366	1.3
145.10130	28.4
145.11275	1.6
146.10652	0.8
147.11685	9.2
149.13263	1.4
157.10193	1.6
158.10880	1.1
159.11697	25.2
161.13242	2.1
171.11690	2.0
172.12491	1.2
173.13272	24.2
187.14841	6.5
197.45100	0.8
215.07182	0.9
215.17967	100.0
215.22034	3.0
216.18314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05260	0.5
55.05513	7.4
59.05001	0.7
63.65854	0.3
64.81511	0.3
67.05508	0.6
67.89716	0.3
69.03425	0.5
69.07045	0.4
70.74872	0.7
70.75220	0.5
72.08174	0.4
73.02934	0.4
73.06548	0.6
74.02449	5.3
83.04984	9.5
83.08620	0.6
85.06541	0.9
86.02407	0.4
87.04449	1.2
89.02379	1.3
89.06057	2.0
99.04447	0.6
101.06025	2.9
103.05425	0.4
111.04445	14.4
113.06013	1.6
115.05488	0.3
117.07034	1.0
118.82775	0.3
127.07561	1.7
128.04990	0.5
128.06212	0.4
129.05489	3.3
129.07001	1.1
130.06528	1.7
132.08064	1.5
136.44916	0.3
137.06010	0.7
137.59172	0.3
143.07327	1.5
144.08087	100.0
145.06494	0.7
145.08449	1.2
146.06000	0.5
154.06546	0.7
155.07039	18.4
156.08096	1.2
156.09270	0.3
171.09212	2.9
173.08102	11.5
173.10718	1.3
179.17990	0.4
188.07112	0.5
199.09711	1.1
217.10989	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	217.1588
Annotation	Orobanone
Peak:m/z	Relative Intensity
55.05517	12.2
55.80739	0.6
57.07081	2.4
59.05014	3.2
67.05506	2.9
69.03428	1.2
69.07075	22.0
69.57223	3.4
73.08685	0.7
79.05492	2.2
81.07064	4.7
83.04983	16.3
83.08616	2.7
85.06526	1.0
87.04472	1.9
87.08134	0.6
89.02412	1.6
89.06038	2.9
91.05485	4.4
93.07049	4.7
95.04974	1.2
95.08608	3.7
97.06561	1.4
98.21202	2.4
99.04456	0.9
101.06030	6.2
103.05441	0.9
105.07037	22.6
107.08610	5.1
109.06551	1.5
109.10152	1.6
111.04456	21.7
111.08112	1.1
113.06033	2.2
115.05435	1.0
116.06228	0.7
117.07003	3.2
119.04968	1.3
119.08587	18.6
121.06520	1.7
121.10171	2.7
123.08116	1.0
127.07578	2.3
128.06241	5.9
129.05501	4.0
129.07011	5.3
131.08580	20.2
133.06467	1.3
133.10143	11.7
135.08067	2.2
135.11705	3.5
137.09595	0.9
141.07024	2.5
142.07784	28.2
143.08578	15.4
144.09344	1.9
145.10135	5.7
146.10773	0.7
147.08069	5.0
147.11702	6.2
148.08833	1.0
149.09589	2.4
155.07039	24.6
155.08557	5.7
156.05714	5.9
156.09349	15.0
157.10141	100.0
158.10811	0.7
159.08058	1.0
159.11697	17.0
160.08850	1.7
161.09631	11.4
161.13243	2.3
164.97232	0.8
169.10121	2.7
170.10922	10.6
171.11705	39.8
173.08125	14.6
173.09505	1.4
173.13261	9.2
174.06839	0.9
175.11185	11.8
175.14819	4.7
184.12486	3.4
189.12784	2.3
189.16397	8.3
199.09662	1.9
199.14836	28.7
202.06253	1.4
217.05211	0.7
217.08609	8.4
217.10722	11.9
217.15892	62.3
217.19408	1.9
218.15952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1642
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.03993	4.3
53.08001	4.5
55.05501	21.9
57.03442	5.2
67.05502	35.1
69.07060	27.9
71.04996	11.7
74.09752	4.4
75.15611	4.4
79.05488	18.7
81.07058	63.2
83.04966	8.0
83.08614	20.2
85.06542	19.3
88.40472	4.3
91.05471	17.7
93.07039	14.1
94.43768	4.9
95.08604	100.0
97.06520	24.9
97.10151	9.5
98.21117	25.6
99.08112	6.9
105.07018	29.4
107.08559	4.8
109.06612	4.1
109.10165	8.9
111.08097	6.9
119.08580	42.2
121.10136	9.0
123.08102	7.8
133.10103	26.8
135.11734	13.8
137.13272	14.4
145.10133	9.7
159.11716	10.3
161.13249	69.2
173.09662	5.9
179.14323	27.2
197.15408	15.0
215.10661	11.3
215.14378	12.6
215.17889	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05515	59.5
56.05842	1.6
57.03444	1.7
57.07065	2.0
67.05508	26.4
69.07074	44.8
70.06590	2.1
71.04982	4.9
71.56474	1.7
73.06548	3.9
79.05506	13.5
81.07059	71.6
83.04967	5.5
83.08134	3.0
83.08621	47.7
83.94171	1.4
85.06551	5.9
87.32281	1.4
91.05481	13.6
92.08278	2.5
93.07046	16.7
95.04984	3.0
95.08611	100.0
97.06537	12.2
97.10171	15.0
98.09689	2.7
99.08101	2.8
99.20838	1.8
100.07635	2.5
100.11259	15.3
101.06036	2.6
101.11591	7.3
105.07037	19.8
107.08569	6.9
109.06495	3.9
109.10158	9.1
110.10469	1.7
111.04453	1.8
111.08098	3.5
113.09636	1.4
115.07542	3.6
117.07001	2.4
119.08575	29.2
121.10141	8.7
123.08088	11.8
126.09265	1.5
127.07510	1.9
131.08530	1.8
133.10156	17.8
135.11699	11.8
137.09619	5.8
137.13266	22.6
141.09123	2.0
141.11453	4.2
141.61658	10.1
142.11911	1.5
143.08505	1.8
154.06523	1.9
154.08746	1.3
154.12277	4.9
155.12579	1.8
161.13258	48.3
168.07443	1.6
179.14307	11.9
182.15443	6.0
183.15694	2.9
196.16951	13.5
198.72415	1.4
199.18027	4.8
200.18382	3.4
213.67947	6.4
214.18037	71.4
215.14284	3.4
226.16203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01859	4.8
55.05262	2.8
55.05515	45.5
57.03431	2.7
57.07089	10.8
59.04998	7.0
65.02843	1.6
67.05499	23.6
69.03418	4.3
69.07072	100.0
70.06580	1.8
71.04992	14.9
71.56976	2.1
78.87325	1.9
79.05499	17.6
81.07059	62.1
83.04969	9.7
83.08624	24.1
85.06548	38.5
88.07626	6.1
91.05488	8.5
93.06471	2.9
93.07047	41.6
95.04942	5.8
95.08610	83.0
97.06509	6.1
97.10181	21.0
98.20985	1.9
98.97610	2.4
99.08099	23.3
105.07045	8.5
107.04963	16.9
107.07863	3.3
107.08596	58.9
109.06489	2.4
109.10164	30.8
111.08090	6.2
111.11745	9.7
113.09645	13.7
115.05450	2.7
119.08536	2.1
121.10152	71.7
121.11028	4.1
123.08055	1.9
123.11685	13.9
125.09621	8.7
127.11170	2.7
128.06163	3.0
129.06975	4.3
132.20224	2.2
133.10106	2.7
135.08025	3.8
135.11693	36.2
137.13263	34.9
139.11208	13.7
142.07753	3.7
143.08569	4.5
149.13228	9.3
151.14812	5.8
153.01840	14.2
153.06985	2.2
153.12778	10.5
157.06509	3.3
157.10132	8.7
162.01263	2.1
163.03810	2.2
163.07549	6.5
165.06993	3.0
167.07083	23.2
167.08444	4.3
168.32878	1.8
171.11687	5.5
177.16394	78.7
185.09592	3.4
185.13213	2.5
195.06549	5.0
195.10071	3.5
195.17451	15.6
198.10434	2.2
213.05470	6.1
213.09102	10.0
213.12912	9.5
213.16356	9.1
213.18558	6.8
222.38927	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03933	1.1
55.01858	4.6
55.05510	12.0
57.07066	4.7
65.03942	1.0
67.05513	7.5
69.03413	2.7
69.07072	19.1
69.90101	5.0
71.04980	4.5
78.13615	1.0
79.05502	8.0
81.07064	22.7
83.04985	2.1
83.08636	11.0
85.06527	6.1
88.07613	1.6
91.05476	3.4
93.07053	18.0
95.08614	40.2
97.10172	9.3
98.21222	2.8
99.07480	2.1
99.08100	36.2
99.08743	1.9
100.35500	1.1
102.79498	1.0
105.07024	3.9
107.04922	1.9
107.08607	37.1
109.06502	1.0
109.10169	8.3
111.08093	16.2
113.09640	2.8
119.08558	2.3
121.10149	64.6
123.11700	2.3
123.59756	1.2
125.09618	6.6
128.06161	1.7
129.07002	2.0
135.11705	16.5
137.13258	10.0
139.11172	2.6
141.05525	1.7
142.07744	1.8
143.08536	1.1
149.13249	4.6
153.01845	9.6
157.10150	3.5
161.31949	1.1
163.07585	1.7
167.07060	3.5
167.08577	1.7
169.05016	1.3
170.10948	1.1
171.11676	2.7
177.16400	100.0
185.07117	2.2
185.16068	1.1
195.06476	2.4
195.17442	14.7
213.09126	2.6
213.12849	5.6
213.16405	3.8
213.18497	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03940	1.6
53.57518	1.3
55.01872	3.7
55.05510	13.1
57.03432	1.7
57.07067	3.5
59.04960	1.5
67.05495	8.3
69.03429	4.4
69.07070	22.3
70.06773	5.9
71.04994	3.4
74.92339	1.2
79.01839	2.0
79.05485	10.8
79.82170	1.1
81.03413	2.0
81.07057	19.6
83.04984	1.9
83.08622	12.4
85.02901	2.8
85.06529	9.2
88.07647	1.5
91.05479	5.3
93.07048	20.6
95.04992	1.7
95.08614	41.9
97.10182	9.1
98.97568	1.5
99.08096	22.8
105.07027	7.1
106.25079	1.2
107.04953	7.9
107.08601	47.4
109.06497	1.7
109.10166	10.5
111.08086	17.0
113.09638	3.9
115.05449	1.3
117.39883	1.3
119.08597	3.4
119.11395	1.4
121.10144	69.0
123.11708	1.5
125.06004	1.8
125.09636	8.1
129.06973	1.6
131.08534	1.6
133.10103	1.9
135.04497	1.4
135.08092	3.1
135.11697	16.0
137.06041	1.3
137.13271	8.4
139.11224	1.8
140.04698	1.5
141.05487	1.2
142.07733	2.2
143.08542	2.2
149.13287	7.0
153.01805	12.8
153.09096	1.5
157.10139	4.3
163.07532	3.9
167.03404	1.7
167.07063	13.5
169.04956	3.3
171.11726	1.9
177.09204	2.6
177.16393	100.0
185.07153	2.3
185.13202	1.6
195.10190	2.6
195.17426	13.4
213.09079	4.2
213.10974	2.0
213.12830	4.2
213.16429	5.5
213.18501	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	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01870	4.3
55.05516	12.6
57.07071	4.5
65.03924	1.5
67.05499	7.8
69.03432	4.3
69.07076	19.1
69.38519	5.5
69.38943	5.2
71.01363	2.8
71.04982	6.4
78.04710	1.5
79.05487	10.0
79.35394	1.3
81.03421	1.9
81.07063	21.7
83.04981	4.8
83.08594	9.5
85.02909	5.1
85.06551	6.6
88.04701	1.2
88.07670	1.6
91.05491	5.6
92.57442	1.3
93.07041	14.9
95.04968	2.5
95.08614	40.6
96.08983	1.4
97.06560	2.8
97.10168	8.4
98.20960	5.0
98.97606	1.8
99.08094	28.5
103.05485	2.9
105.07018	5.6
107.04960	21.2
107.08598	39.9
109.10172	13.5
110.10484	2.9
111.04430	2.8
111.08087	18.1
111.10863	1.9
111.11694	2.1
113.09679	3.4
115.05496	1.6
119.08569	2.2
121.10149	67.8
123.04414	2.2
123.11734	3.5
124.05198	1.5
125.06014	1.9
125.09638	5.4
125.13348	1.7
135.08064	6.2
135.11685	15.9
137.13289	10.4
139.11234	3.0
141.05513	1.5
149.13240	4.5
152.04655	2.4
153.01831	2.3
157.10101	2.7
163.07576	9.4
165.97360	1.2
167.07047	37.2
170.10970	1.8
171.11745	2.2
171.47192	1.4
177.16396	100.0
178.16751	1.6
185.07117	3.6
195.06410	1.7
195.10194	5.5
195.17493	12.4
213.07152	1.3
213.09198	3.1
213.12770	3.9
213.16388	4.5
213.18527	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	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21677	1.9
55.01869	5.7
55.05509	14.1
57.07090	4.4
57.31879	1.8
66.87470	2.5
67.05496	7.9
69.03421	5.1
69.07066	19.3
69.36280	9.0
69.36710	7.9
71.04991	6.8
79.05502	12.0
81.03414	4.3
81.07053	24.2
83.04969	3.6
83.08617	13.5
85.06538	7.3
88.07641	5.4
91.05479	6.6
93.07045	20.2
93.69666	2.0
95.08615	38.4
97.10174	8.2
98.20729	3.6
98.21400	5.9
99.08102	29.5
103.05504	3.2
105.07034	7.4
107.04946	8.3
107.08600	40.8
109.10146	11.0
111.08082	17.8
113.09637	3.9
115.05444	3.6
119.08562	5.0
121.09303	3.9
121.10147	65.4
123.04431	3.0
125.05964	2.4
125.09639	7.2
128.06190	4.2
129.06976	2.2
135.08090	2.9
135.11726	13.1
137.13269	9.4
139.11270	2.4
142.07768	3.5
143.08527	2.4
149.09628	4.0
149.13269	6.5
151.03912	2.2
153.01791	10.9
157.10146	5.3
163.07544	3.7
165.07033	2.2
167.07069	15.3
167.08336	3.1
171.08064	2.9
171.11690	5.0
177.09113	2.0
177.16402	100.0
185.07140	3.6
185.09673	2.2
195.06554	4.4
195.10219	3.7
195.13875	2.0
195.17441	12.9
198.10109	2.2
213.09158	6.1
213.12749	8.7
213.16327	7.7
213.18504	15.1
226.96446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85306	0.6
53.03951	2.0
55.01623	1.0
55.01874	16.8
55.05515	71.5
57.03423	3.0
57.07061	2.8
59.05000	1.6
59.56519	0.8
64.40203	0.8
65.03930	0.8
67.05508	29.2
69.03439	7.7
69.06726	1.0
69.07076	17.0
70.60921	0.8
71.04998	68.0
71.30675	1.1
79.05064	1.5
79.05499	20.3
81.07062	31.9
83.04996	6.2
83.08623	44.9
85.06551	7.9
87.04476	8.9
88.07632	1.4
91.05493	7.6
93.07052	19.4
94.01334	0.7
95.04939	1.9
95.08614	12.1
97.06538	93.4
97.10175	63.8
98.06873	1.0
98.21323	0.9
99.08073	1.3
101.06014	0.9
101.09629	2.6
105.07015	3.6
107.04940	3.6
107.08601	21.4
109.06483	2.1
109.10160	15.7
110.80213	0.7
111.08099	3.8
113.05986	1.6
117.07006	5.6
119.08574	2.4
119.88271	0.7
121.06483	2.6
121.10138	4.9
123.11641	1.2
125.09636	36.1
129.07008	2.1
131.08569	4.8
133.10150	4.9
135.08066	7.1
135.11719	7.8
141.06995	1.5
142.07762	2.1
147.11679	1.2
149.09602	2.1
149.13249	5.4
153.01817	1.7
153.09085	2.1
153.12674	1.1
154.06195	1.1
157.10088	3.4
159.11697	4.3
163.07552	1.1
165.06914	1.0
165.12712	1.4
167.07018	5.4
167.08476	1.3
167.14337	0.9
169.10149	0.8
170.07237	0.9
171.08049	1.0
171.11613	1.2
177.12790	8.0
185.09628	1.3
185.13252	1.4
189.11230	7.1
195.06520	1.6
195.11980	1.9
195.13820	39.2
196.14133	1.1
198.06743	1.5
213.05643	1.4
213.09193	5.2
213.13066	3.5
213.14835	100.0
214.15237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
50.85306	0.6
53.03951	2.0
55.01623	1.0
55.01874	16.8
55.05515	71.5
57.03423	3.0
57.07061	2.8
59.05000	1.6
59.56519	0.8
64.40203	0.8
65.03930	0.8
67.05508	29.2
69.03439	7.7
69.06726	1.0
69.07076	17.0
70.60921	0.8
71.04998	68.0
71.30675	1.1
79.05064	1.5
79.05499	20.3
81.07062	31.9
83.04996	6.2
83.08623	44.9
85.06551	7.9
87.04476	8.9
88.07632	1.4
91.05493	7.6
93.07052	19.4
94.01334	0.7
95.04939	1.9
95.08614	12.1
97.06538	93.4
97.10175	63.8
98.06873	1.0
98.21323	0.9
99.08073	1.3
101.06014	0.9
101.09629	2.6
105.07015	3.6
107.04940	3.6
107.08601	21.4
109.06483	2.1
109.10160	15.7
110.80213	0.7
111.08099	3.8
113.05986	1.6
117.07006	5.6
119.08574	2.4
119.88271	0.7
121.06483	2.6
121.10138	4.9
123.11641	1.2
125.09636	36.1
129.07008	2.1
131.08569	4.8
133.10150	4.9
135.08066	7.1
135.11719	7.8
141.06995	1.5
142.07762	2.1
147.11679	1.2
149.09602	2.1
149.13249	5.4
153.01817	1.7
153.09085	2.1
153.12674	1.1
154.06195	1.1
157.10088	3.4
159.11697	4.3
163.07552	1.1
165.06914	1.0
165.12712	1.4
167.07018	5.4
167.08476	1.3
167.14337	0.9
169.10149	0.8
170.07237	0.9
171.08049	1.0
171.11613	1.2
177.12790	8.0
185.09628	1.3
185.13252	1.4
189.11230	7.1
195.06520	1.6
195.11980	1.9
195.13820	39.2
196.14133	1.1
198.06743	1.5
213.05643	1.4
213.09193	5.2
213.13066	3.5
213.14835	100.0
214.15237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03949	8.6
55.05491	20.6
65.03938	8.0
67.05505	32.0
69.03436	12.0
69.07066	30.4
70.06592	10.9
71.04976	10.8
71.58017	14.1
79.05491	37.7
81.07051	37.7
83.04989	17.2
83.08602	14.0
85.70149	8.8
88.07623	51.1
91.05495	18.9
93.07056	37.2
93.07630	8.8
95.04927	16.1
95.08600	23.5
97.06522	8.5
98.21129	9.5
107.04961	12.5
107.08578	19.6
111.23236	8.5
121.10152	11.2
123.84029	9.2
129.07010	15.9
142.07771	16.5
143.08557	37.3
145.10049	11.0
156.09355	10.9
157.06454	11.2
157.10138	49.6
162.07472	10.5
171.08041	14.5
171.11696	35.3
183.08070	18.3
185.09680	14.8
185.13306	24.3
195.06509	33.2
198.10439	36.8
213.05516	20.5
213.09117	29.7
213.12888	82.8
213.16368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03942	2.2
53.51295	0.6
54.42496	0.7
54.42768	0.6
55.01868	1.1
55.05512	20.0
57.03440	1.0
57.07082	9.8
67.05504	4.8
69.03446	1.8
69.07071	3.8
69.58378	1.5
69.58786	3.4
71.04987	0.9
79.05500	4.5
81.07059	6.8
83.04979	10.1
83.08618	1.1
85.06541	5.5
85.13677	0.9
88.07622	3.2
91.05472	5.0
93.07050	13.1
95.04969	2.1
95.08600	12.8
97.06536	6.8
98.21474	1.4
103.05455	0.8
105.07037	5.4
107.04954	1.3
107.08595	19.2
109.06510	4.2
109.10158	3.1
111.04445	100.0
111.08089	4.8
112.04823	0.9
113.06012	1.6
117.06989	1.7
119.08575	2.0
121.06495	2.8
121.10142	2.7
122.07250	1.2
123.08054	1.1
125.05999	29.3
127.07545	4.2
129.07021	1.5
130.07829	1.1
135.08054	16.1
135.11694	23.2
137.13235	1.1
139.07532	4.1
141.07213	0.7
142.07764	1.0
143.08560	3.6
145.10136	17.7
153.01924	0.7
153.12743	5.9
154.17734	0.9
157.06586	1.0
157.10153	3.0
163.11192	22.2
171.11685	2.7
181.12233	44.1
185.13338	1.2
191.21875	0.7
195.06557	1.6
195.12234	1.0
195.13773	4.7
213.09100	1.9
213.12743	2.5
213.14606	0.9
213.16460	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02395	0.6
53.03944	1.9
55.01868	1.0
55.05499	1.1
59.04988	0.8
60.45845	0.4
65.03926	1.0
67.05493	1.8
69.03441	2.9
69.47450	4.1
70.06573	0.7
71.04987	1.1
78.04700	2.4
79.01839	1.2
79.05491	9.7
81.03406	1.5
81.07044	1.8
83.04977	0.8
88.07629	2.1
91.05471	5.7
93.03408	0.8
93.07063	3.7
95.04962	3.9
95.08607	0.9
97.02876	2.5
97.06511	0.7
98.21262	2.2
99.04431	1.1
103.05470	8.0
105.03391	0.8
105.07026	7.4
106.04194	1.5
107.04959	58.0
107.08595	7.2
109.02879	0.9
109.06522	1.9
110.03657	0.9
111.04437	2.0
111.08030	0.6
115.05460	4.2
117.06985	2.8
119.01955	0.9
119.04926	0.6
119.08618	4.1
120.05695	2.0
121.06506	1.5
121.10165	2.9
122.03665	0.8
123.04439	6.1
123.07988	0.8
124.05219	3.1
125.06013	2.6
125.09599	0.7
128.10715	1.5
129.05507	1.3
129.07005	0.7
131.04910	1.8
131.08591	1.9
133.06491	1.2
133.10094	0.8
135.04434	1.7
135.08055	16.8
137.05991	1.2
137.09558	0.8
139.03877	1.5
139.07593	0.7
140.10715	1.1
143.03416	1.7
143.08577	0.6
145.07613	1.4
147.04396	1.4
147.08067	1.7
149.05942	1.6
149.09618	6.9
151.03882	2.8
151.07578	0.7
152.04691	2.2
153.01837	21.9
153.05498	1.1
153.09119	1.3
153.10211	0.6
154.06352	3.4
155.10297	0.6
156.10175	1.8
159.08041	0.7
163.03934	1.0
163.07550	24.7
165.05490	1.3
165.09097	2.6
167.03365	2.2
167.07048	100.0
168.08151	3.1
168.10208	1.1
169.07579	1.1
177.09100	6.8
180.07785	2.7
181.05017	0.7
185.07114	2.4
195.06558	2.5
195.10172	16.4
213.06906	0.9
213.09267	1.3
213.11235	7.7
213.12811	1.2
213.16180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03934	2.2
55.01863	1.9
55.05487	2.3
57.03424	1.3
61.02903	0.8
65.03910	1.1
67.05483	3.1
69.03410	3.2
69.07061	1.0
70.17128	2.9
71.04992	1.3
73.02914	0.9
79.05486	10.6
81.03390	2.4
81.07057	4.9
82.24966	0.8
83.04955	3.1
83.08635	0.8
85.02884	2.9
88.07626	3.8
91.05480	39.0
93.06470	1.2
93.07043	22.1
95.04967	4.4
95.08601	4.2
97.02872	2.5
97.06549	1.3
98.20842	0.9
98.21377	1.2
99.04428	0.9
103.05461	1.5
104.12910	0.8
105.07031	34.7
107.04940	4.2
107.08593	48.7
109.02863	1.2
109.06492	3.3
109.10146	1.9
111.04407	0.9
111.08079	1.8
113.06030	0.9
115.05424	1.1
116.06241	2.9
117.07021	3.7
119.01884	0.9
119.04917	2.2
119.08579	100.0
121.06541	3.9
121.10141	22.8
123.04376	0.9
123.08062	7.1
125.02361	1.5
125.05986	1.5
125.09628	1.7
127.03860	1.4
129.06975	4.2
131.08568	33.0
133.06456	2.7
133.10124	6.1
135.04407	1.0
135.08038	8.2
137.05965	1.4
137.09584	3.3
139.07512	1.1
140.04791	0.8
143.03352	0.9
147.08043	27.5
149.06009	1.0
149.09619	28.8
151.07530	1.1
153.01813	10.9
153.05484	2.2
153.09053	2.4
156.75308	0.8
157.06406	1.0
159.08051	8.2
159.45943	0.9
163.03886	1.0
165.05373	1.1
165.09113	31.2
167.07137	6.6
167.10664	12.9
177.05470	0.9
177.09097	27.9
185.07062	2.8
195.06490	4.4
195.10168	31.8
213.05157	1.3
213.06807	3.0
213.11195	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	1.1
55.05522	1.8
57.03424	1.7
65.03925	0.8
67.05505	1.6
69.03417	1.9
70.69934	2.8
72.36232	0.9
73.02916	1.2
79.05494	9.3
81.07062	4.0
83.04971	2.3
84.83136	0.9
88.07640	0.9
91.05481	25.9
93.07046	25.4
95.04976	2.3
95.08628	1.9
97.02946	1.1
98.20823	0.8
103.05447	1.9
105.07035	39.9
107.04959	3.2
107.08600	66.2
109.06515	3.7
109.10165	1.1
115.05486	1.4
116.06238	3.5
117.07045	3.4
119.04964	1.5
119.08586	100.0
120.08880	1.0
121.02783	0.9
121.06510	1.4
121.10151	26.6
123.08078	3.5
125.05981	1.6
125.09630	1.8
129.07019	2.8
131.08574	34.4
133.06514	4.2
133.10133	4.5
135.04379	1.5
135.08049	5.9
137.06017	1.7
139.03976	1.3
147.08052	43.7
149.06027	1.1
149.09631	30.5
151.11150	2.0
153.01851	3.1
153.05482	3.7
159.08058	9.3
165.09129	36.1
167.03351	1.1
167.07054	2.4
167.10675	9.6
177.09116	29.2
178.84972	0.8
182.10953	0.9
195.06512	1.8
195.08333	1.4
195.10165	30.8
213.11209	24.3
214.11751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05517	15.5
56.05861	9.5
56.06078	1.8
57.07059	4.8
58.07417	2.5
59.04982	6.8
60.05341	2.5
64.60795	1.8
67.05173	2.5
67.05509	32.5
68.05836	17.6
69.03434	10.7
69.07069	17.1
70.03754	3.0
70.07415	13.7
70.68869	3.1
71.04998	20.2
72.05328	8.4
79.05496	8.8
80.05817	6.3
81.07060	32.6
82.07395	23.6
83.04984	11.4
83.08607	9.9
84.05305	7.9
84.08952	9.2
85.06541	4.6
86.06877	4.3
91.05488	5.0
92.05791	5.9
93.07040	17.1
94.07379	18.3
95.04974	3.3
95.08051	2.8
95.08611	38.0
96.05312	2.8
96.08363	2.8
96.08942	46.1
97.06522	5.7
97.10177	1.8
98.06858	5.8
98.10501	3.0
98.21069	3.1
99.04437	6.4
99.08083	6.3
100.04791	3.3
100.08412	5.1
105.07070	8.0
106.07349	10.7
107.08604	20.8
108.08933	33.4
109.06503	10.3
109.10160	64.6
110.06892	10.2
110.10494	96.6
111.08045	3.7
111.11740	1.8
112.08423	5.1
114.10011	2.0
115.07485	1.6
116.07910	3.8
119.08581	13.3
120.08110	2.2
120.08918	30.7
121.10136	9.7
122.10477	18.4
123.04485	2.1
123.08076	10.1
123.11712	12.1
124.08405	19.3
124.12035	23.9
125.09676	2.0
126.09991	3.5
129.56789	1.9
132.08965	2.1
133.10129	11.2
134.10475	33.5
135.11703	34.1
136.07642	2.0
136.12033	100.0
137.05959	3.9
137.09641	8.5
138.06325	8.7
138.09943	20.3
140.11494	3.0
148.12024	1.9
149.13242	3.6
150.06320	1.7
150.13617	11.2
151.11192	2.9
152.11548	13.1
152.15126	13.6
153.01750	1.7
153.12755	2.9
154.13084	6.4
156.10994	1.8
166.16718	4.6
167.06953	4.6
168.07372	8.0
176.15179	51.7
193.58984	1.7
194.16231	30.2
211.07655	1.8
212.08263	2.0
212.17296	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	5.7
55.01859	5.2
55.05514	32.1
57.03437	10.8
57.07075	7.8
59.05008	14.8
65.03934	2.1
67.05177	2.2
67.05507	39.5
67.49583	1.3
69.03436	15.8
69.06728	2.3
69.07072	34.7
70.59586	1.4
71.04997	60.2
71.08612	2.7
73.06589	1.7
78.04700	2.4
79.05505	20.8
79.16089	2.0
81.02987	2.0
81.03428	30.1
81.07063	64.7
83.04985	29.0
83.08618	30.7
85.06541	10.5
91.04964	2.3
91.05484	21.8
93.06480	2.2
93.07052	44.8
95.04993	15.5
95.08612	67.3
97.02855	1.9
97.06538	20.4
97.10170	7.5
98.21285	8.8
99.04433	5.2
99.08107	13.5
103.05439	2.8
105.06370	2.4
105.07025	25.6
106.04179	3.5
107.04935	5.5
107.08601	50.0
109.06527	13.2
109.10162	71.6
109.10915	3.7
110.06895	1.7
111.08086	8.6
111.11710	2.3
113.03477	2.1
113.09656	2.4
115.07571	11.8
119.04961	2.3
119.08585	48.2
121.06492	5.1
121.10140	27.5
122.03670	2.2
123.04442	12.3
123.08067	16.4
123.11709	64.0
124.05238	2.4
125.09609	6.8
127.07526	5.4
127.11173	1.8
129.06979	4.9
131.08539	5.1
133.06453	4.7
133.10133	39.2
135.11702	100.0
137.05972	26.9
137.09648	13.4
137.13246	6.4
139.11176	2.0
141.09076	3.4
141.12727	6.3
142.07747	2.8
147.11670	11.1
149.05974	4.8
149.09587	4.3
149.13258	9.3
151.03908	4.7
151.07536	4.4
151.11186	8.2
151.14824	8.0
152.04637	2.8
153.07037	1.9
153.12759	16.8
155.08517	3.4
155.10623	7.8
157.10110	5.4
165.12790	3.5
165.16409	2.0
167.07054	85.5
167.14322	3.2
168.07413	1.6
169.10190	3.4
175.11211	6.7
175.14842	53.2
179.07071	9.4
181.08524	4.1
181.10030	1.8
193.08656	2.2
193.12262	9.5
193.15892	19.9
196.12473	2.7
211.07683	3.7
211.09401	2.4
211.11111	5.0
211.13226	3.9
211.14920	5.7
211.16920	61.7
234.57202	1.7
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
53.03937	2.2
55.05266	1.1
55.05513	21.9
57.03423	4.1
57.07078	4.5
58.57961	1.1
59.04989	2.0
65.03924	1.1
67.05170	1.8
67.05508	30.3
69.03130	1.2
69.03440	13.9
69.06726	1.4
69.07073	22.4
69.40784	9.1
71.04998	5.4
75.76971	1.0
76.85000	1.1
79.05482	7.1
81.07061	33.8
83.04987	21.9
83.08621	16.5
83.59628	1.0
85.06527	6.6
91.05477	7.3
93.07043	15.8
95.04961	3.4
95.08615	46.2
97.06541	4.3
97.10171	6.1
98.20797	2.5
99.08144	5.2
105.07035	11.3
107.08596	28.1
109.06527	13.5
109.10162	100.0
111.08096	15.9
113.09660	2.0
119.07799	2.2
119.08595	28.8
121.06502	1.0
121.10144	19.8
122.03662	1.3
122.07343	1.3
123.04426	2.7
123.08073	24.4
123.11712	13.6
125.09638	4.2
127.11189	3.8
133.10139	29.6
135.11700	59.1
135.39290	1.2
137.06020	6.2
137.09618	41.3
137.13254	2.6
138.10374	3.8
139.11169	3.2
147.11679	3.9
149.13268	10.4
151.11220	7.8
151.14825	11.7
153.12735	2.6
155.06996	1.1
165.12781	2.8
165.16367	2.8
167.07088	13.4
167.14317	3.8
175.13289	1.8
175.14827	37.5
179.07028	3.7
181.08630	1.6
181.57320	1.2
193.12360	1.3
193.15901	23.6
211.15009	2.0
211.16920	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	2.6
55.05264	1.3
55.05513	21.3
55.87853	0.9
57.03443	5.8
57.07079	6.1
59.05007	7.2
62.17194	0.8
62.17939	0.9
65.03923	1.7
66.66689	0.9
67.05505	38.4
67.05865	2.0
69.03126	1.1
69.03434	14.0
69.07071	31.9
71.04996	34.5
71.08640	1.7
71.11607	1.0
71.11945	1.8
73.06537	1.3
78.04730	1.5
79.05493	11.6
81.03404	2.6
81.07060	49.6
83.04977	16.1
83.08624	16.3
83.29173	1.0
85.06554	14.2
91.05482	14.4
93.07050	34.0
94.04154	1.3
95.04970	6.2
95.08611	59.8
97.06532	14.3
97.10149	3.9
98.21172	1.3
99.04449	4.6
99.08085	9.5
103.05441	2.3
105.07036	16.9
107.04993	0.9
107.07858	1.5
107.08600	43.7
109.06514	17.2
109.10158	99.7
111.08085	7.1
113.05979	1.3
113.09619	3.8
113.20480	0.9
115.05493	1.2
115.07593	6.5
117.07018	1.5
119.04939	4.6
119.08582	36.0
121.06486	2.6
121.10146	21.9
122.03658	1.8
123.04446	10.6
123.08067	18.9
123.11711	46.0
124.05182	1.3
125.09664	5.5
127.07534	6.8
127.11169	2.0
131.08539	1.5
133.06482	2.6
133.10138	33.1
135.11697	100.0
137.05980	28.9
137.08643	1.6
137.09610	19.7
137.13217	2.9
139.11165	4.4
141.09096	2.6
141.12744	3.8
147.04416	3.5
147.11700	5.4
149.05966	3.8
149.09589	1.0
149.13251	11.2
151.03864	1.4
151.07545	4.5
151.11189	10.6
151.13757	1.6
151.14821	11.3
153.12761	12.2
155.10655	6.7
165.09096	2.9
165.12622	1.0
165.16403	2.5
167.07053	17.2
167.10760	1.3
167.14349	2.5
169.10130	2.6
175.14838	40.8
177.61963	1.0
179.07037	16.8
181.08540	3.0
193.08649	6.5
193.10193	1.3
193.12228	2.0
193.14185	1.5
193.15886	20.6
203.10693	0.9
211.07712	1.9
211.09631	5.9
211.14967	2.2
211.16927	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.05516	17.5
57.03433	1.9
57.07079	5.6
59.04986	3.0
65.03943	1.2
67.05510	32.6
69.03437	12.7
69.07073	20.6
70.88336	1.4
71.04992	4.6
71.08637	1.7
79.05497	6.2
81.06583	1.6
81.07065	32.3
81.56677	0.8
83.04987	12.3
83.08627	10.8
84.08920	0.8
85.06536	4.0
87.08147	0.9
91.05483	6.7
93.07056	15.2
95.04967	2.9
95.08615	42.2
97.06534	1.9
97.10168	2.3
98.20892	0.8
98.21423	0.8
99.08094	4.5
105.07037	11.1
107.07879	1.0
107.08604	29.5
109.06535	17.1
109.10166	100.0
111.08087	4.3
113.09640	1.5
119.04919	1.1
119.08590	25.1
121.10167	11.6
123.04440	2.5
123.08079	13.4
123.11716	11.4
125.09610	2.7
127.11171	1.2
133.10141	21.1
135.11707	75.3
137.05972	1.5
137.08656	1.3
137.09631	17.3
138.10405	0.9
139.11139	2.3
145.25372	0.9
147.11734	1.2
149.13239	5.4
151.07565	1.2
151.11208	12.0
151.14838	11.3
152.31984	0.8
153.12720	4.2
156.29140	0.8
165.12741	1.3
165.16406	3.1
167.07068	3.2
175.14835	21.7
179.07027	3.4
193.15897	17.5
211.17021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01875	7.0
55.05516	45.0
55.15947	0.8
57.03437	8.0
59.05005	1.2
65.03944	2.8
67.05511	31.0
69.03436	9.1
69.06774	0.9
69.07078	11.4
69.68130	0.7
71.04980	4.8
79.05498	33.8
79.05961	1.9
81.03426	100.0
81.07063	38.9
83.04987	50.0
83.08139	1.8
83.08625	31.7
85.02914	0.9
85.06547	2.4
91.05491	37.9
93.06464	1.3
93.07047	18.4
95.04977	32.6
95.08618	12.9
96.51447	0.8
97.02896	3.5
97.06521	5.5
97.10164	8.8
98.21365	3.5
99.04436	1.3
99.08099	1.9
103.05444	1.7
105.06384	1.9
105.07043	24.7
107.04966	6.1
107.08609	7.5
109.06532	6.5
109.10155	3.9
111.04427	3.6
111.08090	12.3
115.05484	2.3
117.07047	2.0
119.04951	2.3
119.08588	20.7
121.06511	3.0
121.10143	6.5
123.04406	2.2
123.08056	4.6
123.11688	1.5
125.05927	1.1
125.09609	2.3
129.07019	13.7
131.08572	12.1
133.06494	3.8
133.10143	11.9
135.11670	0.9
135.74016	0.8
137.06009	6.1
137.09618	2.5
142.07764	4.6
145.10074	1.4
147.08061	4.0
147.11697	15.3
149.05983	1.3
149.09642	8.6
151.07515	1.1
155.08517	1.1
157.10146	16.2
165.12730	3.2
167.07062	7.6
169.10040	1.4
175.11205	16.8
175.14940	1.1
179.07062	1.9
181.08409	0.9
193.12260	38.7
193.94855	1.0
205.90523	0.9
211.07700	1.0
211.09561	1.3
211.11299	1.5
211.13220	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
54.23741	1.0
55.05511	16.0
57.03430	1.2
57.07062	4.2
59.04993	5.9
60.02570	1.1
65.03941	1.3
67.05502	29.1
69.03430	8.9
69.07068	22.9
69.60223	6.8
71.04997	18.5
72.20399	1.1
79.05496	6.3
81.07059	34.0
82.55518	1.1
83.04987	13.9
83.08624	10.7
85.06532	4.1
91.05470	5.8
93.07052	20.7
95.04949	3.6
95.08610	43.5
97.06532	5.9
97.10149	2.3
98.20969	2.9
98.21544	1.8
99.04449	2.9
99.08085	4.2
105.07022	10.5
107.08599	29.8
109.06522	13.0
109.10161	100.0
110.10451	1.6
111.08076	5.1
113.09655	2.9
115.07587	3.1
115.49236	1.1
119.07788	1.9
119.08581	27.7
121.10143	13.0
123.08073	15.7
123.11704	19.5
125.09614	2.2
127.11192	1.1
133.10135	24.5
135.11693	83.4
137.05983	3.8
137.08614	2.1
137.09601	18.6
138.19591	1.2
138.53838	1.1
139.11171	3.8
141.12708	1.8
147.11670	3.7
149.13251	7.1
151.11179	10.9
151.14873	11.3
153.12738	7.3
165.16414	2.4
167.07077	2.7
175.14827	31.8
193.15881	21.8
211.16911	12.5
230.58328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03942	5.5
55.01873	7.4
55.05265	2.1
55.05516	41.5
57.03439	12.2
57.07073	2.4
59.05017	2.0
59.16372	1.1
65.03934	1.7
67.05168	2.3
67.05507	35.6
69.03431	13.1
69.06758	1.5
69.07076	13.1
69.23637	12.5
71.04983	6.5
79.05057	2.1
79.05496	37.0
81.03422	100.0
81.07062	44.0
83.04984	54.1
83.08624	34.4
85.06543	4.8
87.04501	1.1
91.05486	41.2
93.07051	21.3
95.04976	33.9
95.08605	18.5
95.43740	1.1
97.02909	3.1
97.06530	7.9
97.10174	8.4
98.20798	3.2
98.21490	3.3
99.04456	1.2
99.08133	1.3
103.05442	1.2
105.07040	30.5
107.04951	8.1
107.08584	7.6
109.06541	9.3
109.10165	5.5
111.04436	4.3
111.08109	12.3
115.05434	2.1
117.07067	1.8
119.08574	20.0
121.06512	3.5
121.10145	7.4
123.04432	2.6
123.08081	4.4
123.11670	2.8
125.06017	1.4
125.09644	3.4
128.06277	1.6
129.07010	13.4
131.08582	13.4
131.31772	1.1
133.06482	4.0
133.10149	12.6
137.05002	1.8
137.05991	32.1
137.09630	3.6
137.13306	1.6
139.11137	1.1
142.07759	4.1
147.04395	1.3
147.08026	3.3
147.11710	19.6
149.06056	1.7
149.09644	6.2
151.07552	2.4
155.08560	3.0
157.10139	15.8
165.07047	1.4
165.09084	1.2
165.12729	4.6
167.07050	12.3
168.09402	1.2
169.10127	2.6
175.11215	17.9
179.07069	3.4
181.10133	2.3
193.08641	1.5
193.10408	1.9
193.12238	39.2
196.12469	1.5
211.07614	2.3
211.09396	1.9
211.11185	5.2
211.13304	18.9
211.14911	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02378	1.0
53.03944	6.8
55.01871	8.1
55.05512	42.8
57.03440	10.5
57.07067	2.2
59.05019	1.8
65.03938	2.4
67.05505	37.3
69.03426	10.8
69.07069	14.6
71.05009	6.8
71.36732	1.2
71.37080	1.0
73.02899	0.8
77.03943	0.8
78.04704	3.3
79.05493	38.1
79.05960	1.9
80.48580	0.9
81.03419	100.0
81.07057	48.8
81.07442	0.6
83.04984	50.2
83.08618	36.5
85.02905	2.2
85.06532	4.4
87.04469	1.4
91.05481	47.5
93.07047	23.4
95.04971	40.0
95.08609	19.6
97.02896	3.9
97.06512	6.2
97.10157	8.6
99.04474	2.2
99.08090	2.4
103.05463	4.0
105.04530	0.9
105.07030	31.5
106.04155	2.4
107.04961	9.4
107.08593	9.7
109.06517	9.0
109.10168	7.1
111.04434	4.1
111.08092	12.6
113.03468	1.2
113.06001	1.2
115.05445	3.0
117.07027	2.6
119.04922	4.2
119.08585	24.6
121.06501	9.9
121.10139	10.6
122.03661	2.6
123.04433	9.0
123.08099	5.0
123.11700	3.1
124.05197	2.5
125.09630	3.6
129.06999	13.2
131.08569	14.2
133.06487	6.0
133.10133	11.0
135.11674	3.0
137.05981	45.1
137.09604	2.6
137.13268	1.9
139.03845	0.9
139.07504	1.2
141.07088	1.1
142.07788	4.3
145.10071	1.3
147.04404	3.9
147.08032	5.4
147.11685	17.1
149.05991	12.6
149.09631	7.5
151.03944	2.4
151.06493	1.4
151.07542	4.9
151.11195	2.7
152.04703	2.3
153.05460	2.3
153.06908	1.2
155.08528	3.2
157.10129	18.4
161.05986	1.9
165.05571	1.2
165.07059	1.4
165.12708	4.4
166.06273	2.7
167.07045	78.2
168.05777	1.4
168.07364	1.5
169.10147	3.5
175.11192	17.4
175.14851	1.4
179.07080	8.8
180.07895	1.4
181.07152	1.2
181.08594	8.1
181.10072	1.7
183.07924	1.1
183.11673	2.3
193.05019	1.1
193.08612	3.3
193.10378	2.3
193.12241	37.1
196.05130	1.2
196.12674	1.0
211.07542	2.5
211.09648	5.3
211.11197	4.3
211.13033	15.7
211.14850	3.9
222.53181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.38485	1.1
51.42457	1.1
53.03952	7.0
53.90966	1.1
55.01874	5.6
55.05258	2.3
55.05518	43.6
57.03444	10.8
59.05001	2.3
65.03947	1.5
67.05165	2.1
67.05510	33.2
68.61194	1.2
69.03442	12.4
69.07075	12.6
70.04954	4.8
71.04995	6.8
79.05059	1.7
79.05501	35.1
79.05959	1.9
81.03427	100.0
81.07063	44.7
83.04988	53.6
83.08627	35.8
85.06554	4.1
91.05493	34.3
93.07054	20.5
95.04378	1.6
95.04980	32.9
95.05557	2.5
95.08609	15.4
97.02917	3.3
97.06541	5.5
97.10178	7.7
98.21062	3.3
99.08104	2.2
103.05435	1.5
105.07043	29.0
106.04209	2.8
107.04977	8.1
107.08588	9.7
109.06549	7.5
109.10162	8.5
109.24682	1.2
111.04456	2.6
111.08098	13.7
115.05457	3.3
119.04910	3.1
119.08593	22.7
121.06490	4.7
121.10154	9.1
123.04457	3.5
123.08061	3.8
123.11703	1.6
125.06036	1.7
125.09636	2.6
128.06277	1.4
129.07033	10.9
131.08574	13.7
133.06508	5.7
133.10144	9.8
135.11719	4.4
137.06003	14.5
137.09647	2.9
139.11151	2.7
142.07802	4.2
145.10226	2.1
147.08083	3.5
147.11696	12.3
149.06004	2.6
149.09615	8.3
151.07590	2.3
157.10146	14.3
163.11218	1.5
165.12740	3.4
167.07056	20.7
167.14354	1.2
175.11205	16.8
179.07056	5.3
181.08624	2.9
189.31415	1.4
193.12262	33.8
193.15887	1.4
211.07681	3.0
211.09599	2.5
211.13162	15.2
211.16925	3.0
232.91827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03945	4.7
55.01870	6.1
55.05514	39.9
57.03445	10.1
57.07064	1.0
59.05001	1.7
62.45502	0.8
64.91421	0.7
65.03941	1.8
67.05505	30.9
69.03436	9.9
69.07072	11.2
69.29173	7.2
71.05011	5.0
77.03944	1.1
79.05494	34.2
81.03420	100.0
81.06577	1.8
81.07058	36.1
83.04985	51.4
83.08622	36.2
85.02892	1.9
85.06528	2.8
87.04453	1.0
91.05484	32.4
92.59448	0.8
92.87517	0.9
93.07048	18.5
95.04971	34.7
95.08606	12.2
97.02898	3.3
97.06509	4.1
97.10155	5.9
98.20790	1.8
98.21424	2.0
99.08080	1.5
103.05471	1.9
105.07027	26.1
106.04118	0.8
107.04958	8.8
107.08582	10.3
109.06512	7.1
109.10172	6.7
111.04453	3.1
111.08083	10.7
115.05483	1.6
117.05671	0.9
117.07032	2.0
118.83884	0.7
119.04898	1.4
119.08590	17.3
121.06493	4.9
121.10133	6.9
123.04382	5.0
123.08113	4.5
123.11697	1.8
125.09627	2.8
127.07654	1.2
129.07010	10.4
131.08585	11.8
133.06522	5.4
133.10143	13.4
135.11697	1.5
137.05988	12.0
137.09656	1.7
142.07764	3.5
145.10114	1.9
147.08044	3.0
147.11684	13.9
149.06000	3.9
149.09633	8.0
151.03896	1.2
151.07536	2.1
155.08540	1.0
157.10139	16.2
161.05956	1.4
165.12752	3.1
167.07048	29.4
175.11186	16.9
179.07053	4.7
181.08594	4.4
193.08614	1.8
193.12248	35.8
198.52754	0.9
211.09596	2.2
211.11284	1.2
211.13246	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	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.02369	1.0
51.52168	0.6
52.19754	0.6
53.03946	1.7
55.01865	2.4
55.05513	7.2
57.03429	2.2
57.07079	5.9
58.41777	0.5
59.05028	0.6
65.03939	0.6
67.05510	12.9
69.03427	3.0
69.07073	21.2
69.21792	0.5
71.04997	6.2
71.56135	0.8
77.03909	0.7
78.04712	1.5
79.05070	0.7
79.05498	11.1
81.03439	2.9
81.07059	23.4
83.04989	6.9
83.08619	2.3
85.02883	0.6
85.06551	8.2
91.05484	28.8
93.07048	25.5
94.04182	0.8
94.07397	0.8
95.04975	15.2
95.08603	4.9
97.06561	2.9
99.04468	1.5
99.08092	1.0
103.05472	3.7
105.03391	0.7
105.07030	29.3
106.04167	0.8
107.04945	2.3
107.08598	11.1
109.02896	1.5
109.06525	26.5
109.10163	9.2
111.08075	1.5
113.03516	0.9
113.06013	2.1
116.51265	0.6
117.07057	1.1
119.04942	2.2
119.08591	8.6
121.06503	7.2
121.10126	3.8
121.17771	0.6
122.03665	2.1
123.04446	4.4
123.08071	2.5
123.11701	4.5
124.05202	1.3
125.06006	2.3
125.09630	3.0
127.03896	0.6
127.07536	2.0
129.07019	1.0
131.08578	7.4
133.06526	2.9
133.10133	100.0
134.10449	0.8
135.08060	1.2
135.11707	1.7
137.02373	0.9
137.05983	31.6
137.09630	2.8
139.33675	0.7
140.10713	0.7
141.05463	1.3
143.07155	0.7
147.04431	2.8
147.08067	1.1
147.11688	21.8
149.05997	10.0
149.09628	2.8
149.13284	1.1
151.03900	2.0
151.07567	5.2
151.11188	58.8
152.04733	0.7
152.11508	1.2
153.05507	1.3
153.07008	0.6
155.07034	17.3
155.08362	0.8
157.10144	1.5
161.06006	1.2
165.05493	2.4
165.06953	0.9
165.09068	0.9
165.12781	5.8
166.06265	1.4
167.07048	31.2
168.05713	0.9
169.08583	1.8
169.09972	0.7
175.11180	8.8
175.14857	0.8
179.03526	0.6
179.07036	2.0
181.08603	7.3
183.06526	0.7
183.08011	0.7
183.11665	0.9
193.05025	1.3
193.08652	1.4
193.12251	22.7
196.08881	0.6
211.05777	1.0
211.07512	2.4
211.09665	4.8
211.11279	1.2
211.13271	14.7
211.16327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.33420	1.2
53.03948	6.5
54.46677	1.2
55.01870	4.8
55.05515	41.0
56.72744	1.1
57.03431	7.3
59.04989	1.6
59.50395	1.1
59.98865	1.0
65.03929	2.5
67.05508	30.2
69.03437	10.6
69.07066	10.1
70.70420	3.4
71.04989	6.3
79.05064	1.7
79.05502	32.0
81.03421	100.0
81.07059	35.0
83.04985	53.2
83.08620	34.9
85.06548	1.8
91.05484	33.1
93.07047	18.3
95.04971	35.3
95.08609	15.0
96.19494	1.1
96.30955	1.0
97.02886	4.8
97.06515	4.2
97.10174	8.2
99.08102	1.9
105.06374	2.0
105.07042	24.6
107.04932	8.3
107.08590	7.4
109.06524	6.5
109.10159	2.7
111.04431	3.1
111.08070	10.2
113.06033	1.4
117.07047	2.3
119.04939	1.0
119.08589	18.3
121.06490	2.2
121.10146	6.8
123.08060	5.1
125.09615	1.3
129.07014	13.2
131.08575	12.1
133.06493	2.6
133.10132	13.1
137.05994	2.3
137.09552	2.8
140.86880	1.1
142.07813	1.9
145.10144	2.1
147.08038	4.0
147.11693	18.6
149.09599	8.1
149.46188	1.1
157.10129	15.9
165.09038	1.5
165.12781	3.0
169.10161	1.8
175.11174	15.8
193.12256	37.9
209.64674	1.2
211.11311	2.0
211.13261	14.9
211.14981	1.5
221.42906	1.1
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
51.02370	0.4
53.03941	0.5
53.95098	0.3
55.01854	0.4
55.05510	0.6
55.22950	0.3
55.33744	0.3
56.96560	0.5
57.03429	0.6
59.04992	0.3
65.03944	0.6
67.05499	0.6
69.03436	0.6
69.07061	0.4
70.10276	0.5
70.10665	0.7
73.02901	0.3
78.06214	0.3
79.05493	1.3
81.03419	0.5
81.07059	0.8
83.05005	0.4
83.17026	0.3
85.02906	0.5
85.94578	0.3
91.05488	4.3
93.07032	0.5
94.04198	1.4
95.04971	1.1
97.02885	0.4
98.21118	0.6
98.97583	1.0
103.05482	0.7
105.07041	3.0
107.04970	0.9
109.02856	0.4
109.06528	2.7
111.06686	0.5
115.05451	0.6
116.98593	0.3
118.04218	0.3
119.04963	4.6
121.06519	1.2
122.03651	5.2
123.04410	0.6
123.08081	0.7
125.06050	0.4
127.03954	0.3
133.06496	1.7
137.05986	100.0
138.06335	0.9
139.03911	0.5
147.04422	6.8
149.05980	0.9
150.10306	0.5
151.07567	4.4
153.05447	2.4
154.06264	0.8
159.82213	0.3
161.05975	0.5
163.03931	1.7
165.05446	0.5
167.07063	2.3
178.06276	0.9
179.07040	6.2
181.08609	0.4
189.00745	0.3
193.05067	0.3
193.08609	0.7
193.10887	0.7
205.98686	0.5
211.09686	7.7
211.11853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.69637	0.6
53.03935	2.0
55.01875	1.4
55.05513	3.0
57.03439	1.4
57.07075	3.2
59.04989	1.1
65.03925	1.2
67.05500	6.0
69.03062	1.0
69.03429	10.8
69.07062	2.2
69.26520	3.1
69.26955	2.8
71.04986	2.4
78.04708	1.7
79.05492	4.9
81.03405	1.8
81.07063	6.2
83.04980	2.6
83.08616	0.8
85.06513	0.9
91.05482	40.1
93.07049	8.2
94.04166	1.6
95.04970	17.6
95.08620	6.1
97.02885	1.4
97.06538	1.3
98.20769	1.0
98.21424	1.6
99.04460	1.4
99.08096	4.4
103.05465	5.2
105.07037	6.3
106.04179	1.7
107.04966	1.9
107.08608	4.0
109.02872	2.6
109.06530	6.6
109.10157	10.2
111.04446	0.8
111.08074	1.8
113.03516	1.5
115.05449	1.1
119.04933	5.6
119.08559	2.9
121.06511	9.7
121.10153	1.7
122.03669	4.4
123.04443	4.8
123.08038	3.2
123.11731	1.1
124.05193	1.2
125.08752	0.9
125.09648	15.9
125.57285	0.6
127.03962	1.3
133.06482	2.9
133.10141	3.7
135.11647	3.6
137.05981	100.0
137.09596	7.3
138.06337	1.1
139.03893	1.2
139.07556	1.1
141.09047	0.7
147.04410	7.5
147.08105	1.3
147.11685	1.0
149.05984	12.7
150.06531	0.6
151.03915	2.0
151.07558	4.8
151.11211	1.8
151.14827	0.9
153.05464	3.6
153.06842	0.7
155.08510	0.9
155.10645	3.6
161.06010	2.9
163.03918	1.2
165.03729	0.9
165.05565	1.0
165.06987	1.2
165.09134	2.4
166.06270	3.6
167.07047	45.8
168.05754	1.7
175.14862	1.2
177.43347	0.7
178.06252	1.1
179.07068	6.0
180.07860	0.8
181.08606	13.4
183.08145	0.9
193.05011	0.9
193.08633	2.8
193.12341	0.6
193.15895	2.5
196.05243	1.0
210.29831	0.6
211.05922	0.8
211.07584	3.9
211.09683	14.7
211.12880	1.0
211.15131	0.9
211.16962	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	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.15298	0.2
53.03947	0.6
55.01889	0.3
55.05511	1.7
56.96570	0.3
57.03439	1.5
57.89124	0.2
65.03928	0.4
66.04722	0.2
67.05500	1.6
69.03441	0.5
69.07055	0.7
71.04985	0.4
76.43655	0.2
79.05495	2.4
81.03416	3.3
81.07061	3.4
83.04990	1.6
83.08614	1.2
85.06538	0.4
91.05486	5.2
93.07048	1.6
94.04203	1.4
95.04982	1.9
95.08604	1.7
97.06526	0.7
103.05479	0.4
105.07043	4.2
107.04962	1.1
107.08593	0.9
109.06533	3.0
109.10162	0.7
111.04443	0.3
111.08079	0.4
115.05476	0.4
119.04949	4.3
119.08593	0.9
121.06518	0.9
121.10144	0.6
122.03654	5.1
123.04389	0.6
123.08080	1.1
123.11677	0.3
125.05994	0.4
125.09685	0.3
129.06976	0.2
131.08614	0.4
133.06496	1.6
133.10152	0.8
134.84489	0.2
135.11681	0.3
136.05206	0.5
137.05983	100.0
138.06331	1.8
139.03886	0.5
139.06328	0.2
147.04414	7.0
147.11708	0.7
149.05972	0.7
149.09573	0.5
151.07552	4.8
153.05470	2.5
154.06267	0.7
155.08583	0.4
157.10100	0.4
161.05965	0.6
163.03897	1.5
165.05452	0.4
165.09056	0.5
165.12785	0.4
167.07048	0.8
168.07596	0.3
168.09225	0.2
169.10129	0.5
175.11189	0.7
178.06334	1.2
179.07047	6.2
181.08592	0.5
185.96318	0.3
193.08626	0.6
193.12289	1.5
196.12379	0.3
211.09642	6.7
211.11429	0.6
211.13266	1.1
211.14922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.01883	0.5
55.05510	3.6
56.96585	1.0
57.03436	2.3
57.07080	0.3
65.03948	0.5
66.81103	0.2
67.05507	3.5
67.05822	0.3
69.03450	1.0
69.07070	1.5
71.05007	1.0
71.58005	0.2
75.64726	0.2
79.05497	4.4
79.05960	0.3
81.03416	5.8
81.07061	4.6
83.04992	2.7
83.08627	2.2
85.02901	0.4
85.06553	0.4
91.05483	6.6
93.07047	2.5
94.04177	1.4
95.04962	3.0
95.08611	3.2
97.02925	0.4
97.06534	1.3
97.10177	0.6
98.21292	0.2
99.08096	0.3
103.05480	0.6
105.04605	0.2
105.07039	5.3
107.04984	0.9
107.08607	1.6
108.05735	0.3
109.02865	0.3
109.06523	3.3
109.10162	1.7
111.04494	0.4
111.08094	1.0
113.06007	0.2
115.05478	0.7
117.07049	0.4
119.04945	3.6
119.08569	2.1
121.06487	1.3
121.10165	1.1
122.02875	0.2
122.03654	5.0
122.04467	0.4
123.04405	0.7
123.08085	1.3
123.11701	0.3
125.06048	0.3
125.09641	0.8
129.07010	0.9
131.08594	0.7
133.06496	2.4
133.10126	1.1
135.08017	0.4
135.11768	0.4
137.05980	100.0
137.13274	0.4
138.06276	0.7
139.03889	0.4
141.06963	0.4
147.04413	6.6
147.08084	0.3
147.11705	1.6
149.06003	0.7
149.09595	0.8
151.06413	0.4
151.07555	5.0
153.05475	2.6
153.06662	0.4
154.06238	1.1
155.08600	0.5
157.10127	1.0
161.05957	0.9
163.03888	1.2
163.97664	0.2
165.05482	0.5
165.09126	0.2
165.12720	0.6
167.07063	2.1
167.08429	0.3
167.10703	0.6
168.07780	0.4
168.09236	0.4
169.10081	0.7
174.17947	0.2
175.11243	1.4
175.14868	0.5
178.06329	1.2
179.07045	5.9
181.08597	0.5
181.10034	0.3
183.11668	0.5
193.08521	0.6
193.12244	2.2
193.15947	0.5
196.08884	0.3
196.12421	0.4
211.07727	0.6
211.09593	7.5
211.13177	1.5
211.15070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.91481	0.6
53.03950	2.4
55.01878	3.7
55.05513	8.1
57.03439	3.6
57.07081	1.1
59.05003	1.4
63.59319	0.6
65.03923	3.4
67.05515	5.8
69.03445	5.5
69.07068	5.8
69.94434	0.8
71.04994	7.2
71.23998	0.9
75.04484	2.1
78.04716	2.3
79.05487	6.6
81.03419	3.3
81.07060	9.7
83.04983	9.9
83.08630	4.3
85.02909	2.1
85.06556	2.4
89.03920	1.5
91.05483	11.3
92.80267	0.6
93.03426	5.4
93.07046	11.3
95.04974	100.0
95.08601	6.6
96.05310	1.3
97.06530	7.2
97.10166	1.4
98.21180	0.9
99.04465	17.0
99.08073	3.4
103.05486	4.7
105.03355	0.8
105.07043	6.6
106.04179	14.0
107.04990	2.2
107.08601	11.8
109.06524	16.8
109.10149	5.1
111.04436	1.3
111.08097	5.2
117.03368	1.2
117.07034	0.9
118.53606	0.6
119.04948	1.0
119.08588	4.7
121.06524	20.4
121.10149	12.1
123.04430	1.0
123.08071	6.4
123.11723	2.8
124.05230	0.7
125.05995	4.0
125.09637	5.3
131.04956	2.0
131.08597	5.3
133.10132	10.6
134.03665	3.8
134.04497	0.6
135.04433	1.5
135.08063	5.5
135.11691	1.8
137.05986	2.5
137.09636	2.3
138.06787	0.9
139.07584	1.5
139.11212	0.8
145.02876	0.8
145.10133	2.9
147.11708	3.5
148.05206	3.3
149.05998	17.9
149.09641	11.2
149.13252	5.3
151.03815	0.8
151.11203	12.0
153.01846	3.1
153.05475	1.6
153.09117	32.6
158.10909	0.8
159.04388	1.4
163.03917	1.1
163.07576	1.3
163.11205	2.3
163.14813	1.8
165.12782	21.1
167.07031	4.1
167.14359	5.0
173.13261	5.1
176.86954	0.7
177.05482	10.8
180.46489	0.8
181.04921	1.0
181.08592	4.0
191.07053	2.3
191.10681	2.2
191.14325	13.6
194.05786	1.1
196.50656	0.7
209.04436	1.4
209.08102	12.8
209.11932	1.6
209.15373	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.8
55.01869	2.2
55.05513	51.3
55.20502	1.1
57.03447	1.2
57.07060	1.7
59.04987	2.8
67.05498	7.7
67.21593	1.1
67.60483	1.1
69.03419	4.0
69.07065	10.5
69.84115	5.0
71.04973	4.5
79.05499	10.1
81.07066	10.4
83.04982	60.7
83.08142	1.6
83.08619	27.4
85.02912	1.2
85.06521	2.8
91.05466	7.1
93.03396	1.2
93.07048	31.0
95.04972	51.6
95.08603	6.9
97.06532	7.0
97.10191	7.2
98.20739	2.0
98.21347	2.8
99.04469	8.6
99.08097	2.1
105.07040	6.5
106.04161	4.0
107.08596	33.0
109.06533	9.0
109.10159	16.0
111.08053	6.0
111.83878	1.3
115.07550	1.7
116.65196	1.2
116.68922	1.0
119.08583	4.1
121.06506	5.0
121.10145	100.0
123.08047	3.0
123.11694	6.4
125.09650	10.2
131.08589	2.0
133.10114	8.4
134.03651	1.3
135.11690	5.3
139.03857	1.9
139.11189	1.3
149.05981	5.8
149.09634	1.7
149.13286	5.7
151.11180	27.7
153.09119	14.4
154.85391	1.1
158.10936	1.3
163.14824	20.4
167.14322	51.3
173.13235	3.9
177.05423	2.9
191.14322	9.1
195.94849	1.1
195.96722	1.1
209.08118	1.6
209.11952	1.4
209.15364	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03953	3.0
55.01866	2.5
55.05507	4.2
57.03444	0.7
57.07067	1.7
59.04993	1.2
65.03938	2.0
65.46621	0.5
67.05515	5.6
69.03067	1.0
69.03429	14.0
69.07071	5.4
70.28844	2.4
71.05000	1.4
75.04478	1.8
77.03933	0.6
78.04706	1.9
79.05498	4.7
79.57756	0.5
81.03420	12.5
81.07059	11.2
83.04983	5.3
83.08612	1.8
84.48453	0.5
85.02895	0.9
85.06544	0.6
89.03928	0.7
91.05485	9.7
93.03416	2.9
93.07044	7.6
95.04969	11.0
95.08606	13.0
97.06518	3.3
99.08095	1.6
103.05450	3.1
103.98247	0.5
105.03407	0.7
105.04537	0.8
105.07037	6.5
106.04176	7.8
107.04957	0.8
107.08598	10.3
109.06522	11.6
109.10142	2.5
111.08079	1.2
117.03390	0.8
119.04914	0.7
119.08578	6.1
121.06512	10.7
121.10144	16.5
122.07288	0.7
123.08070	12.2
123.11700	7.9
125.05994	2.7
125.09659	1.6
131.04927	1.1
131.08571	1.2
133.07646	0.6
133.10133	1.9
134.03636	1.5
135.08052	2.7
135.11700	1.9
137.05940	0.8
137.09613	4.4
137.13261	2.0
138.06837	0.9
145.10126	1.0
147.11693	3.9
148.05183	1.0
149.05986	11.6
149.09618	11.4
149.13258	8.1
151.07585	0.7
151.11188	6.4
152.64084	0.6
153.05440	0.8
153.09084	2.0
154.05415	0.6
159.04427	0.7
163.07558	0.9
163.11223	0.8
163.14838	1.5
165.12755	100.0
166.06375	0.9
166.13113	0.8
167.14330	0.9
173.13258	1.8
177.05490	7.5
181.06409	0.7
181.08621	2.2
187.28143	0.6
191.07005	0.8
191.14290	4.2
209.08086	4.0
209.15372	43.4
210.77536	0.6
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
53.03947	1.6
55.01867	2.5
55.05512	6.8
57.07079	10.6
59.04979	1.2
65.03947	1.8
67.05515	10.0
69.03435	20.6
69.07066	6.5
70.13168	2.4
70.13565	3.7
71.04985	1.9
76.29735	1.1
79.05503	7.4
81.03424	1.6
81.07057	14.2
83.04536	1.9
83.04982	18.1
83.08615	2.8
85.02912	1.2
85.06553	9.9
89.03880	1.2
91.05481	8.4
93.03408	2.2
93.07057	8.9
95.04968	3.7
95.08610	10.0
97.06523	4.1
97.10165	1.3
98.21069	2.6
103.05482	2.6
105.07036	7.0
106.04170	4.8
107.08601	30.7
109.06531	13.3
109.10140	4.1
111.08069	6.7
119.08562	5.3
121.06512	10.1
121.10148	14.1
122.81416	1.2
123.08030	7.0
123.11691	7.0
125.05986	2.5
125.09634	64.7
131.08586	7.9
133.10143	8.6
134.03590	1.3
135.08041	16.3
135.11679	5.1
137.09663	1.3
137.13245	1.5
143.08508	3.5
145.10112	3.7
146.98106	1.1
147.11697	6.5
149.05986	7.0
149.09624	8.5
149.13292	9.0
151.11249	6.3
153.05530	1.3
153.09113	16.1
158.10913	3.6
161.09641	1.4
163.11180	3.8
163.14848	4.5
165.12756	30.9
167.14374	3.8
173.13271	20.8
176.11972	3.3
177.05479	4.5
191.14310	92.9
209.08098	4.4
209.15379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.96537	1.8
55.01863	3.4
55.05513	12.2
57.07079	3.1
67.05510	3.6
69.03432	10.5
69.07077	3.9
69.75657	13.3
74.48476	2.3
79.05486	7.7
81.03397	2.6
81.07068	19.7
83.04994	12.8
83.08618	6.8
91.05495	15.0
93.07036	9.2
95.04980	5.5
95.08595	8.2
97.06494	2.8
98.21404	5.7
105.07056	11.2
106.04167	8.1
107.04939	4.1
107.08602	35.7
109.06505	16.3
109.10166	13.4
115.05453	4.8
115.81567	2.3
117.07020	3.8
119.08587	5.6
121.06512	12.9
121.10143	28.2
122.07310	6.2
123.08060	5.6
123.11704	3.9
125.05956	3.2
125.09656	4.6
126.01127	2.8
131.08580	3.6
133.10132	100.0
135.08078	16.4
137.09627	79.9
147.11678	5.4
149.05975	6.0
149.09625	5.7
149.13278	16.0
151.11201	22.7
153.09142	2.5
158.10963	2.2
165.12737	15.6
167.14323	10.2
173.13309	6.0
177.05559	5.6
191.14352	11.1
209.08046	3.2
209.15395	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03951	2.2
55.05510	2.3
57.07077	2.3
59.04995	1.4
67.05507	4.5
69.03431	11.5
69.07075	4.7
69.07401	0.7
69.46011	5.4
71.04995	1.8
79.05493	2.6
81.03426	10.1
81.07061	6.8
82.69477	0.7
83.04987	3.3
83.08615	1.2
91.05485	2.2
93.07054	5.1
95.04968	6.4
95.08605	8.0
97.06559	0.8
98.20739	1.3
98.21333	1.9
99.08109	1.8
105.07029	5.0
106.04165	1.1
107.08601	11.6
109.06524	10.3
109.10160	1.9
109.16028	0.6
113.71600	0.6
114.31648	0.7
119.08582	5.8
121.06509	2.0
121.10150	14.6
123.08082	11.1
123.11723	8.0
123.48991	0.8
125.09643	1.6
131.08530	0.9
133.10181	1.6
135.08081	1.7
135.11725	1.3
137.09598	4.4
137.13246	3.1
138.57564	0.8
140.93584	0.6
147.11671	4.6
149.05960	1.4
149.09621	9.8
149.13271	6.8
151.11191	6.9
157.16916	0.5
158.10916	0.7
162.46747	0.6
163.14839	1.1
165.12755	100.0
173.13281	1.9
177.05473	1.0
191.14313	5.0
209.15363	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01868	6.7
55.05511	9.0
65.03943	5.1
67.05499	11.9
69.03424	15.5
69.07059	9.3
69.97953	7.1
69.98350	7.1
71.35851	3.0
78.04715	4.0
79.05484	19.9
81.07056	27.3
83.04988	10.0
83.08611	6.2
85.06543	5.8
91.05490	29.4
93.03391	8.3
93.07062	17.9
95.04971	11.9
95.08607	8.6
97.06512	3.8
98.20777	4.3
98.21314	6.6
103.05496	9.3
105.07040	15.1
106.04171	25.3
107.08599	57.7
109.06548	19.8
109.10170	9.4
117.06989	8.4
119.08614	5.2
121.06509	29.8
121.10143	29.4
122.07286	10.6
123.08060	5.0
123.11743	4.8
125.05975	7.6
125.09654	25.2
131.08563	7.8
133.10138	100.0
135.08049	35.8
137.06050	3.5
137.09625	80.8
147.11678	10.7
149.05962	36.7
149.09669	8.4
149.13278	19.5
151.11156	7.1
153.01833	4.0
153.09109	10.9
163.04050	3.3
163.14874	4.4
165.12743	8.4
173.13289	15.1
177.05519	18.9
191.14322	51.4
209.04552	5.2
209.08075	11.9
209.15373	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.93837	1.0
53.03931	2.7
55.01878	1.7
55.05510	6.0
57.03426	1.2
57.07063	3.0
59.04999	1.8
65.03921	2.3
67.05516	7.8
69.03430	15.0
69.07067	7.5
70.37099	4.1
71.04975	2.2
79.05492	8.0
81.03430	10.5
81.06630	1.7
81.07063	17.8
83.04992	5.5
83.08612	2.2
85.06541	1.4
90.03464	1.4
91.05479	12.5
93.03396	2.0
93.07063	8.6
95.04980	22.4
95.08615	12.3
96.80636	1.0
97.06533	10.4
98.20842	1.2
98.21376	1.3
99.04444	1.7
99.08097	2.3
103.05452	1.9
104.04243	1.2
105.07026	11.4
106.04202	5.4
107.04984	1.0
107.07867	1.4
107.08598	23.3
109.06526	44.5
109.10167	10.5
109.57191	1.1
111.08060	2.7
115.05459	1.7
117.07005	1.8
119.08575	6.9
121.05936	0.9
121.06532	9.4
121.10145	25.0
122.07279	2.1
123.08073	11.2
123.11700	8.8
125.06031	1.3
125.09581	1.5
126.01080	34.0
127.01788	1.1
131.08575	4.5
133.10139	40.4
135.08073	11.5
135.11668	2.1
137.05995	1.3
137.09624	32.7
137.13255	2.4
145.10127	1.5
147.11684	6.9
149.05966	5.7
149.09604	8.4
149.13266	12.2
151.11195	8.5
153.09099	7.5
158.10941	2.0
163.14801	4.0
165.12767	100.0
166.13072	1.6
173.13246	6.1
177.05479	2.8
181.08653	1.4
190.65295	1.0
191.14320	8.8
193.97066	1.0
209.05870	4.0
209.07832	2.3
209.15387	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	2.3
53.13927	1.2
55.01857	5.3
55.05511	12.3
56.03217	1.4
57.03423	2.1
57.07066	2.5
59.04973	1.5
65.03936	2.7
67.05505	7.2
68.99777	4.8
69.03430	7.4
69.07070	11.9
69.19448	1.4
71.04976	4.7
71.20273	1.9
77.03926	1.4
78.04708	1.9
79.05505	8.7
79.20054	1.2
81.03426	1.6
81.07066	12.5
83.01357	10.1
83.04636	1.1
83.04984	12.3
83.08619	7.6
85.06528	4.1
91.05486	13.2
93.03408	3.8
93.07057	17.7
95.04951	6.1
95.08617	12.8
97.06540	13.2
97.10172	1.6
99.04464	2.5
99.07477	2.2
99.08096	31.0
101.06055	1.6
103.05448	5.5
105.04497	1.8
105.07014	9.9
105.42820	1.3
106.04186	7.8
107.04974	2.6
107.08610	29.3
108.98005	1.6
109.06512	7.5
109.10162	11.8
111.04446	2.6
111.08084	8.8
116.36488	1.6
119.04979	1.9
119.08572	4.9
120.08937	1.4
121.06525	13.3
121.10163	20.0
121.44995	1.3
123.04420	1.5
123.08068	7.8
123.11685	3.8
125.06009	11.4
125.09637	19.0
125.13285	2.1
131.04961	2.1
131.08562	6.4
133.10107	11.5
134.03625	2.3
135.08060	11.1
135.11681	4.4
137.06006	2.9
137.09605	7.0
139.07541	14.9
139.11171	5.0
145.10176	2.6
147.11650	2.9
149.05980	10.1
149.09627	100.0
149.13228	11.8
150.10040	1.8
151.11192	28.7
153.05354	1.4
153.08269	1.1
153.09120	11.4
154.09853	2.1
158.10928	2.1
163.14912	7.0
165.12727	5.6
167.10754	1.6
167.14412	1.8
173.13246	7.8
173.14539	1.7
177.05475	8.2
181.08652	2.5
181.15910	2.8
191.14314	19.6
209.04510	2.2
209.08105	6.1
209.15376	63.6
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	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
53.13927	1.2
55.01857	5.3
55.05511	12.3
56.03217	1.4
57.03423	2.1
57.07066	2.5
59.04973	1.5
65.03936	2.7
67.05505	7.2
68.99777	4.8
69.03430	7.4
69.07070	11.9
69.19448	1.4
71.04976	4.7
71.20273	1.9
77.03926	1.4
78.04708	1.9
79.05505	8.7
79.20054	1.2
81.03426	1.6
81.07066	12.5
83.01357	10.1
83.04636	1.1
83.04984	12.3
83.08619	7.6
85.06528	4.1
91.05486	13.2
93.03408	3.8
93.07057	17.7
95.04951	6.1
95.08617	12.8
97.06540	13.2
97.10172	1.6
99.04464	2.5
99.07477	2.2
99.08096	31.0
101.06055	1.6
103.05448	5.5
105.04497	1.8
105.07014	9.9
105.42820	1.3
106.04186	7.8
107.04974	2.6
107.08610	29.3
108.98005	1.6
109.06512	7.5
109.10162	11.8
111.04446	2.6
111.08084	8.8
116.36488	1.6
119.04979	1.9
119.08572	4.9
120.08937	1.4
121.06525	13.3
121.10163	20.0
121.44995	1.3
123.04420	1.5
123.08068	7.8
123.11685	3.8
125.06009	11.4
125.09637	19.0
125.13285	2.1
131.04961	2.1
131.08562	6.4
133.10107	11.5
134.03625	2.3
135.08060	11.1
135.11681	4.4
137.06006	2.9
137.09605	7.0
139.07541	14.9
139.11171	5.0
145.10176	2.6
147.11650	2.9
149.05980	10.1
149.09627	100.0
149.13228	11.8
150.10040	1.8
151.11192	28.7
153.05354	1.4
153.08269	1.1
153.09120	11.4
154.09853	2.1
158.10928	2.1
163.14912	7.0
165.12727	5.6
167.10754	1.6
167.14412	1.8
173.13246	7.8
173.14539	1.7
177.05475	8.2
181.08652	2.5
181.15910	2.8
191.14314	19.6
209.04510	2.2
209.08105	6.1
209.15376	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	8.1
55.01659	1.4
55.01877	16.6
55.05511	78.5
57.03421	3.2
57.07070	2.8
59.04992	3.9
61.14178	1.3
61.24894	1.3
65.03932	6.4
67.05508	15.9
67.08128	1.2
69.03432	9.6
69.07084	7.8
71.04980	3.7
71.23299	2.0
71.23644	1.6
75.04468	5.2
78.04705	3.9
78.58864	1.2
79.05494	14.1
81.03415	2.8
81.07062	16.3
83.04984	100.0
83.08138	2.6
83.08621	47.9
85.02903	5.1
85.06544	3.7
89.03905	3.5
89.74642	1.2
91.04958	2.1
91.05482	25.0
93.03415	10.1
93.07047	24.5
95.04970	28.6
95.08598	13.0
97.02892	4.0
97.06531	14.1
97.10159	10.1
98.20975	2.2
99.04463	3.0
99.08097	2.4
103.05465	11.5
105.07035	8.6
106.04177	29.4
107.04935	4.1
107.08592	26.4
109.02906	2.0
109.06528	14.8
109.10160	22.5
111.04437	6.1
111.08080	14.8
112.54084	1.3
117.03368	3.1
118.04142	1.8
119.04945	3.0
119.08564	4.0
121.06503	38.6
121.10152	11.3
123.04366	2.0
123.08054	3.6
123.11702	13.3
125.05999	9.4
125.09632	16.0
126.33827	1.7
131.04926	5.4
131.08542	3.7
133.02777	1.6
133.10121	9.3
134.03629	5.0
135.04385	3.6
135.08047	4.2
135.11674	3.9
137.05937	3.6
137.09583	1.6
138.06801	1.6
139.07516	3.6
145.02869	3.6
145.10106	7.2
145.28726	1.3
147.04404	2.1
147.11697	2.2
148.05214	3.8
149.05989	41.2
149.09639	2.4
149.13228	9.9
151.07661	1.6
151.11189	43.6
153.05443	3.5
153.09108	13.1
163.03920	1.8
163.07578	3.0
163.11215	4.6
163.14742	1.4
165.12784	3.1
166.06261	2.0
167.14322	80.1
173.13324	3.7
177.05475	26.2
179.08492	2.4
181.08705	8.1
181.10072	2.8
191.07072	4.9
191.10643	3.1
191.14392	7.1
194.02060	4.1
194.10901	2.4
205.07999	1.4
209.04462	6.1
209.08049	13.7
209.09702	1.9
209.11565	13.8
209.13347	4.3
209.15294	32.9
211.01897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	3.8
53.57427	1.8
54.75309	1.9
55.01865	7.8
55.05513	16.9
57.03426	4.6
57.07056	3.7
61.18979	1.9
65.03934	6.3
67.05504	10.6
67.26134	1.8
68.99774	3.4
69.03425	10.5
69.07059	14.5
69.41813	2.3
70.55672	6.1
70.56024	2.6
71.04975	7.3
75.04478	4.5
78.04709	6.6
79.05496	14.0
81.07071	16.0
83.01324	8.0
83.04983	21.9
83.08623	12.8
85.02889	5.0
85.06527	6.0
89.03922	4.6
91.05482	29.3
92.87577	2.1
93.03389	9.6
93.07050	28.2
95.04971	18.8
95.08071	2.5
95.08603	13.8
97.06541	13.6
98.21187	3.3
99.04435	4.8
99.08099	28.5
103.05485	11.3
105.03386	2.7
105.07034	14.2
106.04177	32.8
107.04954	7.4
107.08599	28.6
109.06537	11.7
109.10173	11.5
111.04459	3.1
111.08091	8.4
113.29837	1.9
117.07018	2.6
119.08601	4.9
121.06513	36.8
121.10141	19.2
123.04419	2.7
123.08102	6.3
123.11711	6.8
125.06013	14.7
125.09624	18.5
131.04964	7.4
131.08562	6.7
133.10123	11.5
134.03650	5.0
135.08035	12.3
135.11674	4.8
137.06018	5.0
137.09634	4.6
138.06731	2.2
139.07547	12.9
139.11125	4.7
145.10126	4.9
147.11726	4.8
148.05200	6.0
149.05981	39.1
149.09624	100.0
149.13239	9.2
151.11192	28.6
153.05536	3.7
153.09114	17.2
158.10896	2.5
163.11189	4.2
163.14867	5.2
165.12732	11.4
167.14310	8.2
173.13283	8.6
177.05463	22.5
181.08618	9.7
191.07088	3.5
191.10648	3.1
191.14352	20.9
194.02179	2.9
209.04558	3.6
209.08064	18.1
209.15382	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03936	2.9
55.01871	7.8
55.05510	13.9
57.03433	4.8
57.07068	2.3
59.82338	0.9
65.03927	2.0
67.05497	11.3
69.03420	3.8
69.06716	1.6
69.07066	20.1
70.85787	2.2
71.04994	23.7
78.04695	1.2
79.05494	42.0
81.03393	2.9
81.07056	12.5
83.01340	10.6
83.04982	15.5
83.08592	4.4
85.02895	2.0
85.06546	2.1
91.05479	28.3
93.03390	1.5
93.07043	51.5
95.04971	16.1
95.08598	4.7
97.06531	16.2
99.04459	2.5
99.08095	7.8
101.06007	1.9
103.05456	3.7
105.07040	26.3
106.04148	5.4
107.04289	1.6
107.04958	16.6
107.08593	55.9
109.06525	13.8
109.10158	4.3
111.04426	3.2
111.08089	3.6
116.06246	1.7
117.03384	1.7
117.07027	8.2
119.08567	9.4
121.06509	43.6
121.10136	33.8
123.04444	1.4
123.08060	5.2
123.11655	2.1
125.06007	9.5
125.09630	10.9
129.06979	3.2
130.07797	3.5
131.04912	2.5
131.08568	100.0
133.10133	7.2
134.03627	1.1
135.04390	3.9
135.08057	7.6
135.11711	4.9
137.05965	3.1
137.09590	2.1
139.07538	12.0
139.11171	3.3
139.43704	0.9
141.05469	2.3
143.08481	1.8
145.06494	1.0
145.10120	39.6
146.10469	1.0
147.08049	4.2
147.11661	3.2
148.05125	1.4
149.06012	13.1
149.09618	84.3
149.13257	2.8
151.07491	1.7
151.11214	4.3
153.05484	14.5
153.09103	6.0
156.57365	1.1
163.07539	1.5
163.11166	27.9
163.14877	3.6
165.09149	2.8
167.07068	5.9
167.10681	3.4
167.14308	2.9
173.09645	3.4
173.13239	3.1
177.05447	5.7
181.08646	1.6
181.15849	1.4
184.76170	1.1
191.10669	30.0
191.14282	7.1
194.02148	1.3
209.04434	2.0
209.08110	4.2
209.11731	56.4
209.15317	28.2
219.48524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03939	6.4
55.01877	11.4
55.05264	2.6
55.05513	35.5
57.03424	6.4
57.07070	2.9
59.04983	1.5
65.03943	8.8
67.05515	14.4
69.03423	6.4
69.07075	18.2
69.88924	6.1
71.04993	23.1
75.04461	5.4
77.03880	1.5
78.04695	6.1
79.05062	2.3
79.05496	39.3
81.03417	2.9
81.07054	16.7
83.04984	53.9
83.08627	16.6
83.80492	1.8
85.02887	4.2
85.06538	3.7
89.03901	4.2
91.05482	47.8
93.03387	12.5
93.07047	46.3
95.04974	100.0
95.08598	6.7
97.06536	15.5
97.10149	4.0
98.21144	3.7
99.04456	16.5
100.06737	1.5
103.05486	14.0
105.04520	1.9
105.07027	25.9
106.04175	37.4
107.04967	21.8
107.08602	57.1
109.06525	27.1
109.10160	10.7
109.74133	1.4
111.04418	5.1
111.08083	7.0
113.05985	1.4
116.06266	1.9
117.03345	4.5
117.07014	6.5
119.04932	3.7
119.08579	7.8
120.05669	2.1
121.06510	70.0
121.09303	3.4
121.10133	41.2
123.04450	4.0
123.08076	8.2
123.11712	7.4
125.06005	13.8
125.09649	11.2
129.07028	2.5
130.07770	1.8
130.38815	1.5
131.04939	11.9
131.08577	73.8
133.10127	13.1
134.03621	9.2
135.04408	4.9
135.08061	10.1
135.08931	2.0
135.11679	5.0
137.05977	6.0
139.03931	6.9
139.07518	6.9
141.05414	2.1
145.02824	3.6
145.06555	1.7
145.10136	30.2
147.04384	3.1
147.08041	3.2
147.11661	5.0
148.05153	7.9
149.05989	56.0
149.09628	56.7
149.13258	4.1
150.06418	2.0
151.07552	2.8
151.10081	2.6
151.11174	19.6
153.05463	12.4
153.09099	28.8
153.22910	1.5
159.04395	5.3
162.03142	1.7
163.03864	4.1
163.07553	5.0
163.11194	24.4
163.14853	2.5
165.09059	3.2
165.12772	1.7
166.06305	2.0
167.07062	7.0
167.10728	4.0
167.14334	32.9
173.09566	3.6
173.13266	5.4
176.04695	3.7
177.05484	40.8
177.07060	2.4
181.08682	8.4
181.09978	1.7
191.07036	4.3
191.10689	23.2
191.14319	13.6
194.02095	3.8
209.04419	6.2
209.08118	20.2
209.11714	39.7
209.15364	27.7
215.91988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01877	11.4
55.05264	2.6
55.05513	35.5
57.03424	6.4
57.07070	2.9
59.04983	1.5
65.03943	8.8
67.05515	14.4
69.03423	6.4
69.07075	18.2
69.88924	6.1
71.04993	23.1
75.04461	5.4
77.03880	1.5
78.04695	6.1
79.05062	2.3
79.05496	39.3
81.03417	2.9
81.07054	16.7
83.04984	53.9
83.08627	16.6
83.80492	1.8
85.02887	4.2
85.06538	3.7
89.03901	4.2
91.05482	47.8
93.03387	12.5
93.07047	46.3
95.04974	100.0
95.08598	6.7
97.06536	15.5
97.10149	4.0
98.21144	3.7
99.04456	16.5
100.06737	1.5
103.05486	14.0
105.04520	1.9
105.07027	25.9
106.04175	37.4
107.04967	21.8
107.08602	57.1
109.06525	27.1
109.10160	10.7
109.74133	1.4
111.04418	5.1
111.08083	7.0
113.05985	1.4
116.06266	1.9
117.03345	4.5
117.07014	6.5
119.04932	3.7
119.08579	7.8
120.05669	2.1
121.06510	70.0
121.09303	3.4
121.10133	41.2
123.04450	4.0
123.08076	8.2
123.11712	7.4
125.06005	13.8
125.09649	11.2
129.07028	2.5
130.07770	1.8
130.38815	1.5
131.04939	11.9
131.08577	73.8
133.10127	13.1
134.03621	9.2
135.04408	4.9
135.08061	10.1
135.08931	2.0
135.11679	5.0
137.05977	6.0
139.03931	6.9
139.07518	6.9
141.05414	2.1
145.02824	3.6
145.06555	1.7
145.10136	30.2
147.04384	3.1
147.08041	3.2
147.11661	5.0
148.05153	7.9
149.05989	56.0
149.09628	56.7
149.13258	4.1
150.06418	2.0
151.07552	2.8
151.10081	2.6
151.11174	19.6
153.05463	12.4
153.09099	28.8
153.22910	1.5
159.04395	5.3
162.03142	1.7
163.03864	4.1
163.07553	5.0
163.11194	24.4
163.14853	2.5
165.09059	3.2
165.12772	1.7
166.06305	2.0
167.07062	7.0
167.10728	4.0
167.14334	32.9
173.09566	3.6
173.13266	5.4
176.04695	3.7
177.05484	40.8
177.07060	2.4
181.08682	8.4
181.09978	1.7
191.07036	4.3
191.10689	23.2
191.14319	13.6
194.02095	3.8
209.04419	6.2
209.08118	20.2
209.11714	39.7
209.15364	27.7
215.91988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.91217	1.3
53.03952	6.6
53.04157	1.3
55.01873	14.2
55.05301	1.3
55.05521	14.8
57.03418	2.3
57.07063	1.3
61.14067	1.1
61.91805	1.2
65.03926	4.1
67.05505	9.3
68.84600	1.4
69.03416	6.1
69.07066	18.7
69.92974	5.9
71.04994	19.9
75.04451	1.2
77.03922	2.0
78.04700	4.1
79.05496	48.5
81.03408	2.8
81.07058	11.7
83.04528	2.1
83.04984	18.8
83.08601	4.9
83.42830	1.2
85.02890	3.9
85.06559	1.5
89.03923	2.7
91.05488	37.8
93.03419	6.5
93.07052	54.9
95.04983	17.5
95.08628	5.8
97.02880	1.5
97.06531	15.5
97.10176	1.8
98.21342	2.9
99.04481	1.7
99.08100	1.4
103.05482	11.4
105.04466	1.8
105.07034	34.5
106.04180	15.1
107.04958	25.3
107.08601	52.2
109.02870	1.4
109.06528	10.0
109.10129	2.9
111.04426	6.2
111.08059	1.5
116.06181	1.3
117.03357	2.6
117.07030	8.4
119.04910	3.2
119.08607	11.3
121.06517	61.5
121.10154	35.7
123.04431	3.2
123.08070	5.0
125.06003	19.3
125.09643	3.8
127.03904	2.1
129.07005	4.2
130.07744	2.6
131.04935	7.2
131.08572	100.0
133.06505	3.5
133.10149	3.4
134.03603	4.9
135.04419	9.5
135.08041	5.4
135.11674	6.3
136.05186	3.0
137.05998	5.5
139.03874	4.2
139.07550	7.6
141.05479	3.2
143.03416	4.5
143.08546	1.8
145.02831	2.0
145.10130	42.0
147.04428	2.9
147.08061	3.7
147.11723	6.3
148.05252	6.4
149.02356	2.9
149.05997	33.1
149.09628	77.7
151.03946	3.2
151.07527	5.4
151.11205	3.5
153.01845	39.0
153.05469	26.1
153.06718	1.5
153.09108	5.4
155.06964	1.6
159.04378	3.7
163.03944	13.2
163.07538	10.6
163.11197	31.4
163.14787	1.7
165.09036	2.0
166.06273	1.6
167.03384	6.2
167.07060	11.4
167.10689	3.5
167.14371	6.1
173.09610	5.4
173.13284	2.7
177.05470	28.6
178.06221	4.3
179.03322	1.6
180.07741	1.6
181.04967	28.9
181.08569	5.8
191.03377	4.0
191.07039	3.7
191.10683	37.4
191.14304	4.5
194.02145	5.6
194.05750	7.1
209.02562	2.6
209.04471	40.1
209.08165	14.5
209.11742	72.7
209.15121	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	209.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.01884	3.0
55.05507	2.1
56.96572	12.0
57.03411	1.5
57.07062	0.6
58.99860	0.5
59.04999	2.8
60.04522	0.5
60.82076	0.4
60.95832	0.5
61.02909	1.1
62.97082	0.5
63.01017	0.4
65.03915	1.5
67.05200	0.4
67.05499	3.5
67.92503	0.7
68.04997	0.5
69.03437	4.0
69.07047	0.9
70.03732	0.4
70.06560	1.0
70.85570	0.6
70.85890	0.6
71.01337	0.5
71.04967	1.9
71.95255	0.5
72.08118	0.7
73.02918	2.5
73.06544	1.0
74.97610	0.4
77.00880	0.6
79.05482	2.1
80.05023	18.5
80.22466	0.4
81.03417	6.6
81.07028	1.4
82.01431	0.7
82.06579	0.4
82.94817	1.8
83.04980	2.4
83.08604	0.6
84.08125	1.4
84.96010	0.8
85.02914	4.2
87.04445	0.5
89.03905	1.0
91.05063	0.3
91.05488	4.1
93.07059	2.7
94.06033	0.6
94.06578	8.8
95.01318	1.8
95.01875	0.4
95.04984	2.7
95.08604	1.2
96.04473	0.7
97.02882	4.8
97.06507	0.7
98.97591	5.9
99.04440	2.0
100.02482	3.2
101.00872	0.8
102.05506	0.6
102.96883	0.7
103.02427	0.9
103.05480	4.1
105.07018	0.9
106.04202	0.5
106.06560	2.7
107.04957	2.5
107.08634	2.0
108.04509	0.6
109.02886	12.3
109.06533	2.1
109.10136	1.0
110.03141	0.4
110.06024	1.1
110.97540	0.9
111.02900	0.4
111.04424	0.7
111.08121	0.5
113.03493	0.5
114.04015	0.6
115.02459	0.8
116.98631	3.7
117.03339	1.3
118.01171	0.6
118.03503	2.3
118.06530	0.4
119.00141	0.5
119.01924	5.8
119.04941	1.1
119.06055	1.3
119.08596	0.6
120.02041	0.9
120.04451	0.5
120.97947	0.8
121.01689	1.0
121.06497	5.1
121.07594	1.2
121.10131	1.4
122.06036	7.5
123.08056	0.5
123.97448	1.5
124.03970	0.5
125.05960	0.7
125.07145	0.4
125.09613	0.8
126.93758	1.0
127.03931	2.1
128.98601	1.7
130.08664	0.5
131.00156	0.5
131.01907	3.2
131.04921	4.1
131.06026	1.7
131.08572	0.8
132.02081	0.9
132.05067	0.6
132.06804	0.8
133.01730	0.5
133.03467	1.5
133.07631	0.8
133.10129	0.5
134.03625	1.9
134.99661	1.8
135.04391	1.1
135.08052	0.7
135.11719	0.4
137.02946	1.2
137.05951	0.8
138.98943	0.8
139.02383	0.5
139.04004	0.6
141.03961	0.6
141.44148	0.4
143.00101	0.7
143.01897	1.3
143.03313	0.5
144.94855	0.9
144.98018	0.7
144.99846	0.7
145.03583	4.9
145.07607	2.4
145.10127	0.7
146.03571	0.7
146.06062	0.5
146.99654	1.6
147.03157	0.4
147.04266	0.6
148.05196	1.7
149.01169	0.6
149.06007	6.7
149.07114	0.8
149.09634	1.3
149.13277	0.8
150.05513	100.0
151.05887	1.0
151.11169	0.6
153.01840	3.3
153.05458	1.0
153.09201	0.6
155.01923	1.0
156.03273	0.7
157.03506	3.3
158.03647	1.3
158.99709	1.1
159.03230	0.8
159.04468	1.9
161.01225	1.9
161.02998	2.2
161.07019	0.7
162.03050	0.8
162.06161	0.6
162.95892	1.7
162.99181	1.2
163.00888	0.7
163.02866	2.0
163.04620	3.6
163.07524	0.9
163.08699	3.2
163.14861	1.0
164.04665	0.6
164.07088	0.6
165.00664	0.5
167.02026	1.4
167.03532	0.6
167.06929	0.6
167.14290	0.7
167.96458	1.9
168.03702	0.7
168.05096	5.5
168.06599	2.7
169.03391	0.5
171.05013	0.6
172.95325	0.6
173.01337	0.5
173.02943	1.2
173.07106	1.0
173.13245	0.6
174.04410	0.6
175.04466	1.0
176.04697	1.3
177.00761	1.4
177.02350	0.5
177.04199	0.7
177.05487	14.8
178.06079	0.5
179.02364	0.6
181.00203	1.2
181.03674	0.7
181.05098	0.9
183.05104	0.6
185.01353	0.5
185.02966	13.8
185.97453	3.3
186.00829	0.7
186.03123	5.2
186.04498	1.3
186.06197	3.2
186.09660	0.6
186.99171	1.1
187.00972	0.8
187.02805	1.3
187.04538	1.1
187.06097	0.5
189.06053	0.7
190.05104	0.5
191.03627	0.8
191.06908	1.1
191.08305	5.4
191.10683	0.6
191.14388	1.0
194.02110	3.6
194.05814	0.8
199.04524	1.1
201.00790	0.7
201.06088	0.5
203.04010	4.8
204.02394	0.5
204.03941	2.3
204.07307	0.9
205.03859	0.8
205.05669	0.7
208.04668	0.6
209.02861	0.8
209.04773	4.7
209.09285	70.6
209.15274	3.6
210.02542	0.6
210.07724	0.9
210.09612	1.4
216.01962	0.5
219.01749	0.5
221.05290	0.6
227.02179	0.7
227.04082	1.7
227.05916	0.6
227.07793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03950	8.4
55.01878	11.9
55.05505	1.2
65.03946	14.1
67.05517	6.0
69.03453	2.0
69.07076	2.3
70.28695	3.7
70.29043	1.1
71.04983	1.1
75.04475	12.4
77.03932	1.8
78.04711	13.2
79.05498	8.9
81.03416	3.1
81.07065	3.5
82.04210	1.6
83.04984	2.0
85.02905	11.1
89.03925	7.6
89.06021	3.4
91.05487	52.2
91.17990	1.4
93.03412	37.0
93.07054	19.3
95.04977	19.7
95.08620	2.0
97.06537	14.0
98.20878	1.2
98.21413	1.7
103.05465	20.1
105.03402	3.3
105.04510	3.6
105.07037	4.1
106.04179	85.1
107.04996	5.5
107.08588	3.6
108.05729	1.4
109.06509	4.9
111.04440	2.7
111.08033	1.5
117.03414	5.2
118.04181	2.3
119.04951	4.5
120.05788	1.4
121.06511	82.2
121.10148	2.7
122.07150	1.3
123.04449	4.4
123.08070	2.9
124.05258	2.5
125.06001	25.3
131.04944	5.8
133.02907	1.6
133.06453	1.2
134.03642	13.1
135.04402	3.0
137.05983	12.0
138.06784	4.3
139.07570	7.5
145.02846	5.8
147.04396	3.2
147.21315	1.1
148.05205	9.1
149.05989	100.0
150.06435	1.4
151.03961	3.2
151.07556	2.8
152.08282	1.5
153.05492	5.5
153.09113	16.6
159.04393	1.6
163.07532	6.5
163.11143	1.5
163.14833	1.7
165.05502	2.3
166.06264	3.0
167.07076	1.7
176.04735	1.5
177.05482	38.0
180.07849	1.5
181.08618	20.9
191.07053	3.5
191.14328	3.3
209.04590	1.2
209.08099	21.4
209.11443	1.7
209.15364	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02366	1.7
53.03954	7.5
55.01874	18.9
55.05516	9.3
57.03433	1.4
58.02179	1.2
59.13692	1.2
62.35587	1.1
62.83397	1.2
65.03946	12.7
67.05514	6.1
69.03434	2.4
69.07075	6.7
70.66886	2.9
71.04985	2.4
74.53901	1.3
75.04484	13.4
76.49805	1.1
77.03922	1.8
78.04709	15.1
79.05495	10.3
81.03408	3.0
81.07050	3.8
83.04984	9.1
83.08614	4.6
85.02924	8.5
89.03896	8.6
89.06046	2.4
91.05482	50.5
93.03410	30.1
93.07059	21.0
95.04978	20.3
95.08602	3.1
97.02886	1.3
97.06529	13.3
98.21087	2.2
103.04869	1.9
103.05486	22.4
105.03356	2.5
105.04498	2.6
105.07037	5.1
106.04180	82.8
107.04984	6.8
107.08578	6.2
108.05705	1.6
109.02819	1.2
109.06523	4.6
109.10143	5.5
110.07328	1.5
111.04451	2.7
111.08051	2.0
117.03391	8.1
118.04213	2.3
119.04949	5.0
119.08572	2.1
120.05716	1.9
121.06516	80.7
121.10143	3.8
121.83936	1.2
122.07308	1.8
123.04426	5.3
123.08050	3.4
123.11691	1.3
124.05177	2.4
125.06000	20.7
125.09590	2.0
131.04915	8.1
131.08580	2.3
133.02852	3.6
133.10118	1.4
134.03658	16.0
135.04405	5.7
135.08058	3.5
135.11731	1.3
136.05124	1.7
137.05974	12.4
138.06824	5.8
139.07565	5.1
145.02831	6.5
145.10120	2.9
147.04384	3.3
147.11691	2.8
148.05208	10.2
149.05991	100.0
149.09602	2.6
149.13268	2.6
151.03876	2.4
151.07533	4.4
151.11172	4.9
152.08377	2.4
153.05505	5.9
153.09111	18.8
159.04399	3.8
162.03123	1.7
163.07547	7.2
163.11172	2.2
165.05533	2.1
166.06284	4.3
167.14313	4.3
176.04718	2.3
177.05490	41.8
179.03343	1.3
181.08646	19.4
191.07014	7.6
191.14297	4.8
194.05846	2.7
209.06281	2.0
209.08130	25.6
209.09940	2.4
209.11485	1.8
209.15312	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02362	1.7
53.03946	10.1
55.01873	21.2
55.05500	2.3
57.03413	2.0
60.44431	1.4
65.03944	15.5
67.05508	5.6
68.99809	1.2
69.03426	1.9
70.10538	4.6
71.05000	3.0
75.04473	10.5
78.04713	13.8
79.05487	10.3
81.03412	2.0
81.07053	3.7
83.04962	2.5
83.08616	1.6
85.02899	10.3
89.03905	7.9
89.06044	2.7
91.05482	49.2
93.03410	30.0
93.07047	20.2
95.04974	20.4
95.08620	2.5
97.06532	13.9
98.20953	2.7
103.05468	23.7
105.03400	3.6
105.04510	3.2
105.07027	3.6
106.04178	83.3
107.05021	6.1
107.08601	4.2
108.05730	2.0
109.06526	5.2
109.10182	1.4
110.03656	1.5
111.04445	2.9
111.08087	2.3
113.09677	1.4
117.03409	7.8
118.04164	2.2
119.04939	5.5
120.05737	2.4
121.06512	83.1
121.10132	2.5
122.07359	1.6
123.04417	4.6
123.08089	2.6
124.05180	2.0
125.06001	20.2
126.62294	1.2
131.04939	8.4
134.03630	14.9
135.04408	3.7
135.08041	2.2
135.11687	3.3
137.05978	12.5
138.06746	5.0
139.07542	4.6
145.02847	6.1
145.10143	1.2
147.04407	2.7
148.05222	10.2
149.05988	100.0
151.03897	1.6
151.07567	5.3
151.11342	1.8
153.05486	7.6
153.09105	17.6
155.41846	1.2
159.04408	2.3
163.03860	2.4
163.07503	6.6
165.05421	2.0
165.12733	1.6
166.06319	3.3
167.07140	1.7
176.04701	3.0
177.05478	50.9
177.11192	1.1
180.07922	1.4
181.08627	18.9
191.07060	10.8
191.14374	1.9
194.05785	2.3
209.08099	26.7
209.09918	1.7
209.11508	2.4
209.15366	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.62508	1.2
53.03948	8.5
55.01875	15.4
55.05515	5.7
57.03447	2.3
62.95012	1.4
65.03949	12.2
67.05495	7.6
69.03436	4.8
69.07076	1.9
70.62293	4.4
71.05006	1.7
75.04482	11.5
77.03936	2.0
78.04721	13.4
79.05505	10.0
81.03439	5.1
81.07053	7.6
83.05014	4.7
83.34477	1.4
85.02906	9.0
89.03932	6.7
89.06033	1.6
91.05489	49.6
93.03416	32.3
93.03966	2.3
93.07058	16.9
95.04973	20.5
95.08630	3.6
97.06543	11.5
103.05474	21.2
103.06120	1.5
105.04562	3.0
105.07051	3.9
106.04183	79.8
107.04984	5.2
107.08620	6.6
108.05778	3.0
109.06528	7.0
109.10186	3.4
111.04488	2.2
114.40010	1.5
117.03422	5.4
118.04212	3.0
119.04961	4.7
119.08561	2.2
121.06512	82.1
121.10132	3.3
123.04477	4.6
123.08135	5.2
123.11766	2.4
125.06001	22.4
125.09652	2.0
131.04977	5.0
133.06494	2.5
133.10210	1.8
134.03654	16.2
135.04483	3.8
135.08096	4.0
137.05998	11.2
138.06801	3.7
139.07562	6.8
144.35194	1.6
145.02869	5.2
147.04416	2.1
147.11745	1.5
148.05185	10.7
149.05997	100.0
151.03984	3.2
151.07610	5.5
151.11186	2.3
153.05505	8.7
153.09094	17.7
159.04459	3.3
163.04012	1.8
163.07593	4.3
163.14809	2.1
165.05624	1.8
165.12782	7.4
166.06323	3.4
167.07042	2.4
167.14383	2.5
173.13232	1.8
177.05481	42.6
181.05022	1.9
181.08618	20.3
181.10182	2.0
191.07120	7.6
191.10811	2.3
191.14362	5.2
194.02260	2.1
209.04446	3.1
209.08083	21.1
209.11705	2.7
209.15282	10.0
209.19012	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	208.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
56.96569	2.6
58.99889	0.8
63.25347	0.3
70.05105	0.3
71.56557	0.5
77.00921	1.0
81.03428	0.5
89.22203	0.3
90.57336	0.2
98.20940	0.3
98.97594	2.6
100.02510	0.6
101.00900	0.7
103.00670	0.3
103.02455	0.7
105.00372	0.5
106.00410	0.2
109.02901	0.4
115.02448	0.9
116.02522	0.3
116.98623	2.2
117.02267	0.3
118.03526	0.4
119.01935	3.4
119.03609	0.3
120.02063	1.2
121.01698	1.6
121.03547	0.6
129.04007	1.1
129.51187	0.3
131.01933	1.5
133.03511	0.7
134.99699	2.4
137.02969	0.9
138.03114	0.4
139.02518	0.5
139.99042	0.3
141.03983	0.4
142.03519	0.7
143.01920	0.7
144.02057	1.1
144.03293	1.8
145.00879	0.3
147.05052	1.0
149.00789	1.5
149.02950	0.5
153.00768	0.4
157.03479	4.9
159.05023	1.0
160.04576	0.4
161.02980	2.0
161.04657	0.8
162.03082	5.9
162.04308	0.7
163.02649	0.3
165.47948	0.5
167.01892	6.1
167.73148	0.3
173.03023	0.9
174.97667	0.4
175.04562	1.2
177.00992	0.5
177.06097	0.4
177.47798	0.4
179.03999	0.7
180.04007	1.7
182.06596	0.3
184.04585	1.2
185.02975	100.0
185.04657	4.7
185.14938	0.3
186.03107	2.2
186.48473	1.1
186.98448	0.4
190.03467	2.7
194.91246	0.3
194.96550	0.3
195.48993	0.3
196.04610	0.3
199.04498	1.8
202.49765	0.4
202.98929	0.6
203.02376	1.4
203.04024	24.9
203.05693	1.3
203.07704	1.2
204.04260	0.5
208.04568	26.4
209.04688	0.7
211.94107	0.6
214.46431	0.3
214.95848	0.5
215.47772	0.3
217.05690	0.4
221.03217	0.4
221.05063	1.0
222.06003	0.6
226.05635	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	2.1
55.01871	7.7
55.05499	6.5
56.23605	1.5
57.03424	5.0
57.07071	4.9
65.03942	4.0
65.33025	1.5
67.05502	19.5
68.99802	9.0
69.03411	2.9
69.07066	9.2
71.04988	2.8
71.49089	1.9
72.61634	1.7
79.05496	21.8
81.03438	1.6
81.07059	93.3
83.04954	5.6
83.08601	5.4
85.06538	4.9
86.76698	1.4
91.05485	14.4
93.07050	30.2
95.04981	5.7
95.08612	32.2
98.21172	1.9
99.08115	2.2
101.40956	1.7
105.07031	26.6
107.08597	62.8
108.08914	1.9
109.06532	7.5
109.08138	1.7
109.10157	15.7
111.00803	20.2
111.04428	2.0
111.08073	2.5
115.96380	1.9
119.08586	36.3
121.06506	1.9
121.10154	11.1
123.04453	8.7
123.08062	10.4
123.11682	8.5
127.03902	10.2
131.08534	4.2
133.06554	1.6
133.10135	44.1
135.11694	100.0
137.05966	3.2
137.09619	9.4
137.13242	2.4
139.03906	99.1
145.10085	4.2
147.11691	32.6
149.13248	12.2
151.07538	1.9
151.11157	17.5
153.05502	9.4
161.13278	7.6
163.11308	2.0
163.14801	14.0
165.05479	5.3
165.12733	2.5
189.12737	2.1
189.16383	89.8
207.06850	8.4
207.10172	91.9
207.13818	6.4
207.17442	60.7
229.14284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03939	2.7
55.01868	2.7
55.05507	11.4
57.03426	3.9
57.07077	6.5
60.03187	1.2
65.03937	2.4
67.05506	35.9
67.23796	1.3
68.05856	1.5
68.69836	1.1
68.99802	3.0
69.03419	5.8
69.07063	16.1
69.57664	7.1
71.04987	3.8
71.08627	1.6
79.05495	14.7
81.07057	39.4
82.07387	2.4
83.04967	3.7
83.08608	4.8
84.08933	1.5
85.06542	8.7
91.05479	20.6
93.07047	37.5
94.07369	1.9
95.04967	5.5
95.08607	43.5
96.08923	2.1
97.06553	1.8
97.10160	2.7
98.20774	2.3
98.21452	2.5
99.08094	1.6
103.05454	1.9
103.38592	1.3
105.07037	31.4
107.04955	1.6
107.08598	65.4
108.08923	3.4
109.06513	7.6
109.10161	19.1
110.10516	2.3
111.00790	3.9
111.08083	4.3
111.10815	1.8
115.96453	3.4
116.97231	1.4
117.07040	2.9
119.04906	1.8
119.08584	51.6
121.06553	1.9
121.10156	15.3
122.10516	1.5
123.04398	2.2
123.08080	12.5
123.10823	2.8
123.11702	12.8
124.12057	2.6
125.09628	2.2
127.03922	2.4
131.08589	4.3
133.10136	54.5
133.97452	2.5
135.11696	95.4
135.63179	1.5
136.12029	2.9
137.05977	2.8
137.09612	11.9
137.13231	2.3
139.03914	15.3
139.11168	1.8
141.05446	4.8
145.10110	6.3
147.08084	2.5
147.11693	40.3
149.09644	3.0
149.13283	11.1
150.13660	2.7
151.07552	4.6
151.11195	17.7
151.13826	2.4
153.05473	26.8
159.11688	2.8
161.06061	2.0
161.13283	9.3
163.14835	13.5
165.05524	1.8
165.12766	3.1
179.10779	1.4
189.12808	3.8
189.16399	100.0
190.16669	2.5
192.09183	1.2
207.06717	7.2
207.10153	46.1
207.12022	3.1
207.13872	8.8
207.17456	68.9
207.20096	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.24660	1.0
53.03940	2.5
55.01866	1.8
55.05510	13.2
57.07059	2.6
65.03929	3.1
67.05171	1.9
67.05505	31.0
68.99782	1.5
69.03414	4.2
69.07069	18.2
71.04981	2.3
71.46329	1.3
74.74052	1.1
79.05493	16.6
81.07059	42.2
83.04978	2.4
83.08626	6.3
85.06534	2.1
91.04898	1.5
91.05480	26.2
93.07050	38.7
95.04954	4.0
95.08607	61.3
97.06518	2.4
97.10159	4.2
103.05455	1.4
105.07033	50.4
106.07347	1.4
107.04971	1.4
107.07864	1.7
107.08593	35.7
107.20790	1.1
109.06522	4.0
109.10151	22.0
111.08096	3.8
115.96442	1.7
116.97192	1.0
117.07011	3.4
119.04887	1.3
119.08578	62.4
121.06517	1.2
121.10134	19.4
123.04425	1.6
123.08067	6.0
123.11709	6.6
129.07021	1.4
131.08543	3.8
133.06468	1.9
133.10130	47.6
133.97462	2.2
135.08046	1.1
135.11668	6.0
137.05974	2.0
137.09607	4.2
137.13341	0.9
141.05455	3.2
143.08554	1.3
145.10129	6.5
146.10892	1.6
147.08034	2.2
147.11693	46.0
149.09596	3.2
149.13263	63.8
151.07542	3.0
151.11110	1.7
153.05475	14.4
159.11716	2.2
160.12390	2.4
161.05957	1.5
161.09651	2.2
161.13277	14.4
163.14807	3.8
171.11635	1.8
174.14066	2.4
179.07008	2.9
179.10677	1.2
179.14246	1.1
189.12749	3.5
189.16379	100.0
190.16710	1.9
207.06584	6.4
207.10156	18.1
207.12039	2.2
207.13902	8.7
207.17441	47.4
207.19409	2.3
225.05307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	2.3
55.05514	8.4
56.04207	1.0
57.03419	3.3
57.07067	3.4
59.04975	1.3
59.13739	1.1
59.94537	1.1
64.59090	1.2
67.05505	17.2
69.03413	3.3
69.07065	10.8
71.04985	1.4
71.05894	1.3
71.06281	2.7
79.05498	13.0
81.07058	23.7
83.04958	3.3
83.08604	5.0
85.06532	5.9
91.05469	15.8
93.07049	32.7
95.04968	3.3
95.08608	40.5
97.06488	2.6
97.10128	1.5
98.21284	1.5
105.07028	30.8
107.08592	68.8
109.06537	5.8
109.10155	16.7
111.08076	4.8
113.09666	1.4
115.05441	2.4
115.96410	3.1
117.07027	1.8
119.08582	45.7
121.10146	12.4
123.04443	1.3
123.08069	14.1
123.11703	12.7
125.09608	1.9
127.07544	1.4
131.08574	3.1
133.06516	1.9
133.10130	51.3
134.63568	1.0
135.11693	100.0
136.12057	1.2
137.05968	1.6
137.09605	12.0
137.13254	1.9
139.03915	2.0
144.43585	1.2
145.10089	3.5
146.10876	2.2
147.08009	1.4
147.11688	38.6
149.09601	3.6
149.13249	10.8
151.07561	2.4
151.11185	18.9
153.05438	1.9
155.00783	1.1
159.11641	2.2
161.05862	1.4
161.09615	2.1
161.13266	10.0
163.11206	1.2
163.14835	14.6
165.12770	3.5
171.08084	1.1
175.07661	1.4
179.06984	1.6
179.10732	1.9
189.16385	95.8
190.16736	2.1
207.06497	8.6
207.10112	5.2
207.11996	1.4
207.13864	4.7
207.17430	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03934	2.2
55.01869	2.0
55.05506	10.1
57.03426	4.4
57.07059	3.8
64.48465	1.5
65.03934	3.3
67.05505	68.3
68.99789	7.8
69.03426	3.3
69.07072	10.3
69.79243	5.6
71.04976	3.9
77.99476	1.3
79.05494	16.3
81.03420	2.0
81.07054	29.5
83.04984	3.6
83.08611	4.3
85.06545	7.8
85.06984	1.6
91.05475	18.4
93.07045	38.8
95.04970	8.7
95.08607	37.9
97.06584	1.6
98.21162	4.0
99.08117	1.6
105.07027	35.2
107.04939	2.3
107.08597	66.3
109.06510	8.7
109.10160	17.3
111.04432	1.3
111.08083	2.5
113.09640	2.2
115.96439	2.7
117.07005	2.5
119.08581	45.2
121.06535	2.2
121.10143	11.5
123.04435	4.5
123.08064	13.7
123.11704	9.3
125.05980	2.2
125.09562	2.1
129.06998	1.6
131.08542	2.7
133.06461	3.2
133.10133	45.1
133.97478	3.1
135.11691	100.0
137.05974	5.8
137.09595	12.0
137.13254	2.5
138.06694	1.5
139.03908	5.9
139.11171	1.8
141.05473	15.1
143.08522	1.6
145.10135	4.2
146.10930	1.6
147.04387	2.1
147.08060	2.3
147.11682	37.5
147.12784	2.8
149.09651	2.3
149.13255	9.9
151.03896	1.7
151.07529	4.5
151.11191	14.2
153.05461	70.9
159.11699	2.4
161.06000	1.5
161.09589	1.7
161.13301	10.8
163.11157	2.6
163.14821	13.7
165.05457	2.4
165.09044	2.1
165.12778	3.0
165.16460	1.7
171.11626	1.4
179.06995	4.5
179.10655	2.4
189.09119	2.5
189.12793	3.8
189.16383	85.5
190.16705	2.6
192.09393	1.7
207.06766	8.7
207.10156	75.4
207.13626	14.1
207.17441	65.1
207.19406	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02382	1.3
53.03932	2.4
55.01860	2.0
55.05495	4.1
57.03457	1.2
57.07066	2.2
59.04988	3.1
65.03934	5.3
67.05201	1.6
67.05503	12.7
68.99809	2.8
69.03442	6.7
69.07052	3.4
69.45806	3.6
69.46219	6.3
71.04994	7.3
79.05499	11.7
81.03404	1.7
81.07065	8.8
83.04961	4.3
85.02907	1.3
85.06519	3.2
91.05486	49.7
93.03412	3.8
93.07048	12.8
95.04962	11.6
95.08611	31.3
97.06501	3.2
98.20954	4.7
103.05447	7.4
105.06389	1.8
105.07037	25.9
106.04174	2.7
107.04953	4.9
107.08590	15.8
108.05746	6.9
109.06525	10.0
109.10155	4.4
111.08096	1.7
113.06003	1.8
115.05435	2.1
115.96467	1.5
117.07001	2.0
118.04152	5.4
119.04091	2.3
119.04942	41.7
119.08586	20.2
120.47083	1.2
121.02865	3.5
121.06509	12.5
121.10157	12.7
123.04452	8.5
123.08073	30.5
123.11694	4.0
128.06219	3.0
129.06990	3.6
131.08549	4.8
133.06487	8.0
133.10124	12.1
134.03589	1.5
135.04437	3.0
135.08022	2.3
135.11659	2.8
136.05188	17.9
137.06009	2.7
137.09598	7.5
139.07562	1.9
143.08575	3.6
145.06470	2.6
145.10127	3.7
146.03654	12.5
146.07304	2.3
147.04417	36.2
147.08102	6.8
147.11696	11.0
149.02356	35.9
149.05981	5.2
149.09624	100.0
151.07545	24.6
156.09398	3.0
159.08133	1.8
159.11766	1.4
161.05939	7.6
161.09631	15.4
161.13268	12.3
163.03918	9.8
163.11247	2.4
164.04697	46.3
165.05304	1.6
165.09119	2.4
165.12769	8.4
171.11722	8.4
174.03162	11.3
174.10385	3.8
174.90224	1.4
175.03886	5.7
177.05516	2.7
178.06221	1.9
179.03499	1.7
179.07033	41.8
179.14316	2.9
189.05437	1.9
189.09129	8.2
189.12746	27.7
190.02576	2.1
191.03395	2.6
192.04185	17.4
207.06526	97.6
207.10101	6.1
207.13806	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.2
55.01858	3.5
55.05510	5.7
57.03426	1.6
57.07060	1.8
59.04979	2.7
65.03907	1.5
67.05502	5.8
68.99782	0.8
69.03431	14.3
69.07066	4.5
69.44283	6.8
71.05015	1.7
79.05061	0.9
79.05491	9.2
81.03415	1.0
81.07048	6.2
83.04980	15.7
83.08653	0.9
85.02906	1.8
85.06526	1.9
91.05480	21.8
93.03387	0.9
93.06467	1.0
93.07043	14.8
95.04971	6.8
95.08602	10.3
97.06495	2.1
98.20739	1.4
103.05463	3.3
104.06139	0.8
105.07032	50.1
106.04170	1.1
107.04942	3.2
107.08598	12.5
108.05690	1.1
109.06508	7.0
109.10146	2.8
110.07304	1.0
111.08061	3.4
115.05402	1.1
117.06992	6.4
118.04210	1.4
119.04946	16.0
119.08580	34.1
121.02859	1.3
121.06507	11.6
121.10149	10.6
123.04421	2.1
123.08080	10.2
123.11684	1.1
128.06219	3.0
129.07018	5.6
130.07785	4.0
131.08571	4.7
133.06483	9.3
133.10124	9.8
135.08066	6.4
135.11688	5.1
136.05209	6.0
137.05975	1.7
137.09602	3.0
141.07010	0.9
143.08556	8.8
144.09312	2.9
145.06453	1.7
145.10121	20.2
146.03601	2.1
146.07239	2.9
146.10507	0.8
147.04391	9.8
147.08064	12.0
147.11684	16.8
148.05113	1.1
149.02351	11.9
149.05984	1.3
149.09622	10.5
149.13222	1.4
151.07547	13.1
156.09346	10.5
159.08067	3.0
159.11691	19.2
160.08835	6.9
161.05971	6.5
161.09625	22.8
161.13243	8.8
162.10425	3.7
163.03864	3.3
163.11183	53.6
164.04686	13.1
165.12807	1.0
171.11676	9.9
174.03110	4.1
174.10393	3.4
175.03893	2.6
176.11966	3.1
177.05479	0.9
177.12747	51.7
179.07042	12.4
179.14247	1.2
189.09132	1.6
189.12727	15.5
192.04167	4.7
207.06514	25.5
207.10338	2.6
207.13806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.4
55.01870	2.5
55.05495	5.7
57.03414	1.5
59.04981	3.0
65.03920	1.4
67.05495	5.1
68.80915	0.9
69.03428	11.1
69.07062	3.4
69.44697	6.7
69.45106	2.9
71.04968	1.9
76.39578	1.1
77.03934	1.2
79.05489	7.1
81.07057	8.2
83.04985	13.0
85.02908	1.6
91.05484	18.2
93.07038	9.5
95.04967	5.4
95.08610	9.0
97.06551	2.2
98.20856	2.1
98.21483	2.2
103.05457	2.0
105.07030	44.8
107.04957	3.9
107.08601	10.4
109.06520	6.7
109.10147	2.7
111.08064	3.2
112.07606	1.2
115.05447	1.6
117.06998	5.3
119.04938	15.3
119.08575	26.8
121.06507	9.7
121.10121	9.4
123.04415	1.7
123.08079	11.2
123.11643	1.5
128.06216	3.0
129.06984	3.5
130.07819	3.2
131.08559	4.1
133.06483	9.1
133.10133	8.4
135.08063	6.8
135.11684	4.6
136.05197	3.1
137.09590	3.6
142.07808	1.4
143.08553	8.1
144.09319	3.6
145.06476	2.1
145.10123	16.5
146.03606	2.6
147.04430	6.9
147.08047	12.9
147.11696	17.9
149.02324	5.5
149.09616	15.9
149.13268	1.8
151.07550	8.7
156.09338	10.4
159.08066	2.3
159.11710	16.2
160.08839	6.5
161.05945	3.1
161.09621	21.8
161.13263	7.4
162.10390	2.5
163.03815	2.2
163.11188	45.6
164.04674	10.0
164.31946	1.1
165.12923	1.2
171.11713	10.0
174.03134	3.6
174.10425	2.9
175.03915	1.7
176.11929	3.4
177.05283	1.1
177.11179	2.2
177.12750	46.2
179.07034	7.7
179.14191	1.5
189.09079	1.1
189.12752	15.0
192.04208	2.5
207.06517	22.0
207.13806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.5
55.05516	2.9
57.07086	1.3
64.62106	0.9
65.03938	2.6
67.05518	5.8
68.09692	1.0
69.03426	3.6
69.07063	1.8
69.44807	4.8
69.45229	2.6
71.04996	2.3
79.05507	5.2
81.03432	1.6
81.07046	4.2
83.04986	2.2
85.02894	3.6
85.06511	1.0
91.05486	18.0
93.07063	7.9
93.07591	1.4
95.04964	3.8
95.08608	12.0
95.52473	1.1
97.06542	2.5
98.21034	3.9
98.21614	1.1
103.05464	2.3
105.07040	14.6
106.09512	0.9
107.04971	1.4
107.08598	10.2
109.06528	6.9
109.10137	1.1
118.04181	1.7
119.04954	16.6
119.08598	13.5
121.02854	0.9
121.06477	4.1
121.10149	9.8
123.04433	2.3
123.08076	16.2
123.11703	4.2
128.06206	1.0
129.07016	1.5
131.04964	1.0
131.08611	4.7
133.02867	1.3
133.06499	4.2
133.10144	5.7
135.04407	1.0
135.08023	1.4
136.05223	3.6
137.09647	4.4
138.79660	1.3
143.08554	2.7
145.10135	2.1
146.03632	2.2
147.04410	9.6
147.08086	4.8
147.11705	9.0
149.02330	6.0
149.09624	100.0
151.07539	6.7
156.09306	4.3
159.08014	1.5
161.06039	5.6
161.09634	4.4
161.13283	7.2
163.03911	2.5
163.11108	1.9
164.04688	10.0
165.12762	8.5
171.11729	7.6
174.03078	2.2
174.10425	2.8
175.03966	7.4
179.07040	10.1
189.09142	1.4
189.12759	27.0
192.04198	3.3
207.06528	19.7
207.13817	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.63789	1.7
55.05510	8.4
57.07058	5.5
57.46722	1.6
59.04993	2.7
59.51134	1.4
61.17431	1.7
65.03934	3.1
67.05164	2.6
67.05508	35.4
67.79079	1.4
69.03410	5.4
69.07053	3.8
71.04989	2.3
71.08305	3.6
79.05495	9.2
81.07072	8.1
83.04955	3.4
85.02881	2.0
85.06545	9.1
88.71293	1.5
91.05479	13.7
93.07052	22.3
95.04960	6.1
95.08608	100.0
95.86912	1.6
99.47118	1.6
103.05460	1.5
105.07040	22.2
107.08593	23.8
109.06506	8.2
109.10133	3.8
110.93387	1.5
113.06001	5.7
117.07008	2.3
119.07799	2.1
119.08591	32.7
120.09310	1.9
120.51837	1.8
121.06523	4.1
121.10147	19.3
123.08076	63.5
123.11665	8.2
131.08611	7.6
131.48532	1.5
133.06470	2.8
133.10110	7.0
135.08090	3.4
135.11711	3.2
137.09612	7.1
137.13239	3.4
145.10072	3.8
147.08029	5.4
147.11716	14.6
149.09627	88.9
151.07509	1.9
151.14830	4.0
152.08701	1.5
156.09357	4.5
159.08046	2.2
161.09586	1.8
161.13269	21.3
163.11174	2.2
165.09140	3.2
165.12781	11.0
171.11687	7.2
174.10405	6.6
189.12747	28.6
207.13799	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	4.5
53.30088	1.6
53.30383	1.4
55.01864	3.8
55.05505	13.7
56.73520	1.5
57.03433	3.3
57.07065	6.0
59.05004	3.2
63.56720	1.7
65.03940	3.3
67.05508	47.6
68.34390	1.8
68.99792	2.0
69.03072	2.3
69.03434	31.9
69.07070	13.6
71.04996	2.4
71.48705	1.9
74.66847	1.9
79.05492	15.3
81.03433	9.8
81.07069	16.6
83.04987	10.1
84.73631	1.5
85.02906	8.1
85.06535	7.9
91.05488	24.9
93.07047	23.6
95.04972	16.7
95.08615	100.0
96.03765	1.7
97.06535	6.9
103.05452	2.6
105.07037	37.9
107.04975	5.0
107.08597	31.2
109.06522	15.6
109.10194	9.4
110.07322	1.8
111.08086	5.8
113.05994	3.4
115.05411	2.5
117.07031	3.5
119.02972	1.5
119.04969	9.0
119.08594	46.8
121.06505	8.4
121.10159	25.9
123.04440	21.4
123.08080	62.8
123.11694	14.2
129.07027	3.8
131.08585	9.5
133.06538	8.2
133.10139	36.0
135.08049	4.7
135.11656	5.1
136.05154	2.6
137.06001	7.3
137.09599	12.5
139.07533	2.7
143.08568	5.9
145.06519	1.7
145.10141	7.6
147.04462	9.3
147.08063	9.4
147.11682	27.8
149.02351	6.9
149.09633	51.9
149.10887	2.5
151.07532	10.0
151.14789	3.7
156.09358	6.5
159.07909	1.7
159.11690	4.1
160.08900	2.2
161.05966	9.2
161.09651	8.7
161.13261	32.5
163.11174	15.2
164.04704	10.6
165.09160	3.9
165.12779	11.9
171.11711	10.3
174.10451	6.7
175.03848	2.9
179.07039	5.4
179.14299	5.2
189.09145	6.9
189.12747	36.8
189.14420	2.5
192.04178	5.2
197.95647	1.7
207.06519	21.4
207.08162	2.6
207.13828	72.9
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
54.17095	1.2
54.54177	1.0
55.05507	7.2
57.03425	1.7
57.07059	4.9
59.04988	2.6
59.47678	1.2
65.03954	1.3
67.05173	2.0
67.05503	31.1
69.03431	7.1
69.07042	4.2
69.98303	5.3
71.04976	3.7
77.03933	1.5
79.05470	6.4
79.55686	1.1
81.07051	10.9
83.04972	4.5
85.02427	2.2
85.02908	34.5
85.06550	7.7
91.05488	15.3
93.07055	18.3
95.04986	6.3
95.08607	100.0
97.06516	2.7
98.20847	2.5
98.21411	1.8
103.05492	1.6
105.06386	2.6
105.07035	29.8
107.08601	30.9
109.06535	8.5
109.10172	7.0
111.08073	1.8
112.42748	1.4
113.05981	3.8
117.06997	3.0
119.04963	1.8
119.08581	35.1
121.06509	7.8
121.10145	19.2
121.51606	1.1
123.08068	61.9
123.11706	18.7
125.05997	2.1
129.06992	1.4
131.08583	9.9
133.06488	3.7
133.10159	7.5
135.07993	2.0
135.11679	4.2
137.09627	5.9
137.13292	1.8
143.08572	2.8
145.10138	3.6
146.51411	1.2
147.04431	1.8
147.08014	9.1
147.11696	24.3
149.09621	71.9
151.07555	4.2
151.14818	3.2
156.09344	3.9
159.08107	1.3
159.11652	1.8
160.08821	2.3
161.05943	1.8
161.09607	4.1
161.13255	24.8
163.11174	2.9
165.09090	3.1
165.12753	13.4
171.11736	6.2
174.10405	4.3
175.03854	1.4
179.07004	2.3
179.14345	2.9
189.12744	28.4
207.06509	5.2
207.10443	1.9
207.13802	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	3.2
55.01863	1.6
55.05500	3.2
57.03423	1.2
57.07053	0.9
59.04990	2.9
60.61388	0.9
65.03923	3.8
67.05511	5.0
68.99796	1.4
69.03430	5.4
69.07044	2.8
70.01154	2.7
70.01562	2.1
71.04980	3.6
71.54927	0.8
72.32886	0.9
77.03951	1.0
79.05488	7.1
81.07059	6.8
83.04969	3.5
85.02909	2.1
90.04662	1.3
90.97284	0.9
91.05482	39.3
93.03387	2.5
93.07049	11.2
95.04971	10.3
95.08614	13.6
97.06522	3.2
98.20801	1.6
98.21396	1.9
103.05452	4.2
105.03385	1.5
105.07024	20.1
106.04143	1.7
107.04950	2.6
107.08581	12.5
108.05740	4.1
109.06530	9.1
109.10158	1.6
118.04183	5.0
119.04948	34.2
119.08572	12.6
121.02856	3.3
121.06515	11.6
121.10136	8.7
123.04461	6.5
123.08070	20.1
123.11683	3.4
129.06985	1.8
131.04970	1.4
131.08574	2.4
133.06493	8.6
133.10126	7.0
134.03647	1.1
135.04431	2.3
135.08063	1.5
135.11736	1.6
136.05208	11.6
137.09610	4.7
139.07657	1.0
139.18587	0.9
142.07506	0.9
143.08524	3.5
145.10178	1.8
146.03622	8.4
147.04416	24.8
147.08028	4.8
147.11693	8.9
148.05168	1.3
149.02347	29.7
149.06041	6.3
149.09622	100.0
151.07556	17.7
156.09323	3.2
161.05939	3.5
161.09589	8.5
161.13257	7.7
163.03899	5.3
163.11145	5.7
164.04686	39.5
165.12788	6.8
171.11729	5.5
174.03145	10.3
174.10402	2.6
175.03917	6.1
177.05447	3.1
179.07045	29.2
179.10574	1.2
189.05325	1.1
189.09076	3.1
189.12740	18.3
189.16357	1.9
190.02513	1.4
191.03416	3.5
192.04182	13.8
207.06529	75.1
207.10104	4.6
207.13814	55.5
207.17372	3.3
208.06940	1.3
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
53.03937	1.7
55.01872	1.5
55.05510	12.4
55.69297	0.8
59.04982	1.8
62.22022	1.0
63.25132	1.0
65.03911	1.1
67.05482	2.7
69.03432	28.1
69.07080	0.9
71.04975	1.0
71.48604	1.7
79.01852	1.7
79.05487	6.7
81.03393	3.0
81.07057	3.1
82.77520	0.9
83.04961	1.4
91.05486	13.1
93.03378	0.9
93.07066	5.5
95.04961	2.3
95.08610	6.3
98.20955	0.9
103.05462	3.1
105.07021	12.0
107.04949	5.0
107.08598	6.7
109.06516	5.5
109.10132	1.4
117.07016	2.8
119.04939	7.0
119.08575	10.7
121.06512	66.3
121.10147	6.1
123.04453	1.2
123.08073	19.3
127.37752	0.9
129.06999	1.4
130.07802	2.9
131.08572	1.6
133.06502	30.8
133.07547	1.6
133.10115	3.3
135.08037	9.1
135.11670	2.8
136.05154	1.2
137.09622	2.3
143.08580	1.0
145.10129	3.7
147.04391	4.4
147.08037	3.0
147.11720	3.4
148.08798	1.2
149.02330	2.6
149.09634	15.5
151.07568	5.8
156.09355	1.3
161.06000	13.0
161.09589	5.0
161.13216	2.7
163.04008	1.1
163.11189	100.0
164.04678	3.9
164.11676	1.1
165.09021	1.1
165.12761	2.5
171.11635	1.3
174.03178	1.0
174.10439	1.3
175.03894	2.9
175.32822	0.8
179.07037	4.2
189.09132	3.6
189.12746	9.5
192.04187	1.4
207.06526	8.6
207.09995	1.1
207.13806	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02386	1.0
53.03947	9.0
55.01863	2.7
55.05510	8.4
59.29111	0.7
63.43777	0.6
65.03924	1.9
65.90584	0.7
67.05502	27.8
69.07058	6.8
69.52312	6.0
71.04983	2.4
73.06554	1.5
77.03922	1.4
79.05491	48.1
81.03414	1.5
81.06571	1.3
81.07053	23.3
83.04988	3.0
83.08612	2.4
85.06540	1.6
91.05477	54.4
93.07041	100.0
93.57648	0.7
95.04960	15.7
95.08596	9.6
97.06519	1.7
97.10175	1.2
97.38073	0.8
98.21262	2.8
103.05466	1.4
105.04486	4.0
105.07024	29.4
107.04954	1.3
107.08588	12.0
109.06525	5.0
109.10139	1.0
115.05421	1.1
115.96449	0.8
117.06992	5.1
119.04955	2.6
119.08578	15.4
119.54952	0.7
121.06522	2.7
121.10113	1.5
123.04353	0.9
123.08066	3.9
127.07547	1.4
128.06192	1.2
128.57831	0.7
129.07001	9.4
131.08575	0.8
131.18950	0.7
133.10138	6.7
136.05164	0.9
143.08575	5.7
145.10139	8.1
147.04387	1.2
147.08061	1.8
147.11679	57.4
149.02353	2.6
149.95729	0.7
151.07489	1.6
151.68536	0.8
161.09660	4.4
161.13239	8.0
164.04692	2.1
171.11688	20.8
171.13152	1.4
174.03123	1.1
179.07072	1.8
189.12727	9.9
192.04335	1.0
207.06497	8.5
207.10268	1.4
207.13799	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05527	1.2
59.05003	2.7
67.05502	3.5
69.03435	3.1
69.07065	2.2
70.07021	1.3
70.07433	2.1
71.05000	2.3
79.05502	2.4
81.03402	0.8
81.07059	4.1
83.04990	2.6
91.05501	4.4
93.07050	6.8
95.04968	2.4
95.08608	6.9
98.21368	1.6
105.07034	13.0
107.04950	0.9
107.08599	9.0
109.06524	6.1
109.10185	1.3
111.08096	0.7
119.04952	2.4
119.08581	9.2
121.06539	3.4
121.10145	9.2
123.04440	0.9
123.08083	14.4
123.11708	3.0
129.06987	0.9
131.08560	2.9
133.06505	3.1
133.10146	2.8
135.08046	1.7
135.11725	0.7
137.09586	3.9
143.08556	2.2
145.10156	3.5
147.04425	1.0
147.08040	4.2
147.11681	6.5
149.09628	100.0
149.46126	0.8
151.07535	2.6
156.09366	3.7
159.11679	1.1
161.05939	0.9
161.09642	2.1
161.13274	7.2
163.11223	2.5
165.12781	6.8
171.11690	6.7
174.10393	3.2
189.12753	24.0
207.06416	1.2
207.13809	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.8
55.01854	2.9
55.05516	7.2
57.03443	4.9
57.07071	2.4
59.04999	2.1
65.03935	2.3
67.05511	10.4
69.03431	12.9
69.07069	7.6
69.44909	7.5
71.04985	3.2
79.05494	9.9
81.03412	3.2
81.07066	12.6
83.04996	7.7
83.08614	1.0
85.02887	3.2
85.06544	2.1
91.05482	27.6
93.03380	0.9
93.07046	12.9
95.04977	8.3
95.08607	17.9
97.06509	2.9
98.21101	4.1
103.05477	3.9
105.07034	42.8
107.04964	4.1
107.08598	17.2
109.06522	12.1
109.10144	6.4
111.08080	4.7
115.05459	1.8
117.07043	4.0
118.04151	3.4
119.04955	12.6
119.08587	39.7
121.06517	12.4
121.10152	14.8
122.07291	1.1
123.04451	5.8
123.08076	19.5
123.11705	3.3
125.09633	1.7
128.06203	4.4
129.06999	9.9
130.07808	2.0
131.04906	6.6
131.08565	5.9
133.06505	9.1
133.10146	18.0
135.08055	5.5
135.11716	3.7
136.05214	3.0
137.06119	1.2
137.09633	11.3
139.07549	2.8
141.06978	1.2
143.08565	5.8
144.05624	1.3
145.06470	2.8
145.10117	7.8
146.03612	3.4
146.07268	6.2
147.04422	6.7
147.08075	13.6
147.11696	22.0
148.05196	3.8
149.02350	4.7
149.05998	1.1
149.09628	19.7
151.07541	9.7
156.09344	6.8
157.06488	2.4
159.08069	1.6
159.11710	3.5
160.08830	3.3
161.05991	100.0
161.09639	27.0
161.13263	30.8
163.03946	1.9
163.11192	17.8
164.04726	6.6
165.09120	2.3
165.12741	3.9
171.11694	8.5
174.03127	1.4
174.06793	3.2
174.10374	2.9
175.03943	2.6
177.12779	5.7
179.07025	5.9
179.14285	3.4
189.05405	1.0
189.09111	26.9
189.12752	23.6
192.04150	1.3
207.06531	15.6
207.10222	9.6
207.13815	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	2-Methoxy-6-prenyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
50.09358	0.7
53.03944	1.3
55.01867	4.1
55.05504	2.2
56.96568	1.8
57.03436	1.4
57.07075	1.3
65.03947	2.7
67.05506	30.0
68.99792	10.1
69.03430	3.1
69.07061	3.5
71.04988	1.1
71.57839	0.9
79.05493	14.1
81.03391	0.9
81.07058	48.3
83.04986	2.4
91.05482	9.8
93.03371	1.6
93.07054	6.6
94.94675	0.7
95.04971	7.5
95.08627	5.0
97.02885	1.2
97.06531	0.8
103.05448	0.9
105.07029	5.6
107.04955	1.9
107.08585	3.3
109.06510	10.1
109.10146	1.7
111.00797	8.0
111.04448	3.7
115.96431	3.6
117.07061	1.0
119.04954	14.1
119.08577	4.6
121.02892	0.8
121.06534	1.1
121.10130	1.7
123.04429	44.2
123.08076	3.4
123.11707	1.0
125.06004	1.1
127.03936	4.7
128.06146	0.8
129.07010	1.8
133.10141	3.4
133.97484	1.5
134.09796	0.6
135.11653	0.7
137.05981	47.2
137.09596	1.4
139.03903	100.0
141.05463	7.1
145.10104	1.1
147.04436	5.4
147.08061	2.0
147.11688	6.8
149.09637	1.4
151.03922	5.1
151.07527	4.4
151.11087	0.7
153.05464	54.5
161.09639	1.5
161.13234	1.3
163.03914	1.5
164.04686	1.0
165.05475	74.3
171.11649	1.1
175.07516	1.4
175.08847	2.6
177.05458	0.8
179.07045	6.6
179.10690	2.3
184.09314	2.2
189.09087	1.9
189.12810	1.6
189.16362	1.4
207.06567	5.2
207.10161	91.5
207.13809	6.1
207.17479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
55.01865	1.2
55.05494	1.7
57.03450	0.9
65.03932	2.7
67.05508	90.6
68.99792	2.8
69.03426	11.0
69.07027	0.9
79.05485	3.3
81.03419	1.0
81.07061	9.7
82.98191	0.9
83.01340	3.3
83.04958	1.3
85.75722	0.7
91.05475	2.7
93.07039	3.6
95.04964	2.8
95.08595	3.5
97.02905	1.8
105.07034	4.4
107.04993	0.8
107.08598	2.7
109.06501	5.3
109.10136	1.7
111.00808	1.8
115.96442	1.8
116.97140	1.1
119.08560	3.5
123.04421	2.1
123.08057	2.5
125.01473	1.3
125.02356	21.5
125.05965	2.5
128.06239	1.3
133.06520	1.4
133.10124	2.7
133.97476	1.2
135.11673	1.9
137.05997	5.5
139.03935	4.7
141.05476	12.2
147.08121	1.0
147.11693	1.7
149.09633	1.4
151.07520	3.4
153.05476	60.1
161.05965	3.9
161.09604	2.4
165.05460	2.9
172.54713	1.0
179.03419	1.1
179.07047	3.4
179.08507	0.9
179.10640	1.6
189.09143	1.6
189.12723	2.5
189.16341	1.6
192.09398	4.5
207.06566	5.6
207.10156	100.0
207.11690	5.6
207.13824	5.0
207.17436	2.5
208.10667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
52.84483	0.6
52.85529	0.5
53.03951	1.3
55.01865	1.3
55.05514	2.1
57.03432	1.4
65.26708	0.6
67.05508	6.9
69.03432	2.4
69.07069	1.2
70.12138	0.5
70.13573	1.2
70.13971	1.2
71.05016	0.8
77.03963	0.5
79.05506	5.0
81.03378	0.7
81.07072	5.1
83.01352	5.1
83.04990	1.4
90.61586	0.6
91.05473	5.8
93.07058	6.3
94.91608	0.6
95.04969	4.4
95.08627	6.8
97.06502	1.1
98.21081	1.6
105.03377	0.8
105.07037	13.1
107.04977	1.1
107.08619	4.0
108.34304	0.6
109.06529	3.1
109.10163	1.9
111.04430	0.9
115.05445	1.5
115.96454	1.9
116.97258	1.0
117.06998	0.9
119.04957	0.8
119.08552	4.4
121.06481	3.7
121.10135	1.5
122.07303	1.0
123.04453	1.7
123.08085	12.8
123.11708	1.4
128.06210	3.5
129.07039	0.9
131.04953	2.3
131.08574	1.8
133.06496	1.2
133.10152	8.3
135.08073	2.0
135.11719	1.0
137.05989	13.1
137.09621	2.1
137.52710	0.6
138.06778	19.5
139.03905	0.9
139.07516	2.2
143.08574	5.5
145.06519	1.4
145.10127	1.5
146.07289	7.4
147.04404	0.8
147.08026	1.3
147.11681	4.6
149.02313	0.8
149.06018	0.9
149.09639	2.1
150.06741	2.1
151.07553	99.0
151.11160	2.0
152.07831	0.8
153.05489	0.9
159.61758	0.7
161.05972	1.1
161.09636	14.5
161.13281	1.6
163.03931	1.0
163.07558	1.2
163.11241	0.7
164.04688	1.2
164.08333	3.3
165.05467	1.5
165.09143	1.4
165.12718	1.0
167.07053	12.6
169.08611	1.0
171.08043	1.5
171.11713	0.9
174.06749	4.1
177.05478	4.1
177.09041	0.7
178.06261	4.6
179.07104	2.3
179.10689	62.9
180.10976	1.1
189.09125	13.5
189.12743	2.2
189.16376	1.3
192.04218	0.8
192.07841	4.7
207.06583	5.4
207.10181	100.0
207.13777	5.0
207.17421	1.9
208.10620	0.9
210.93517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03941	3.9
54.76321	0.8
55.01871	9.0
55.05503	1.8
57.07060	1.9
65.03935	1.3
67.05506	28.4
68.99796	7.7
69.03408	3.1
69.07055	2.1
69.54842	6.8
71.04997	1.4
79.05499	15.1
81.03434	1.8
81.07060	74.5
82.07386	1.0
83.04959	2.8
91.05481	3.3
93.03379	1.5
93.07040	5.6
95.04964	6.0
95.08617	8.9
97.02856	1.6
101.46481	1.2
105.07044	5.0
107.04940	1.1
107.08593	4.1
109.06509	4.1
109.10174	4.5
111.00810	17.5
111.04445	1.8
115.96412	3.1
119.08568	3.7
121.10151	1.5
123.04435	5.5
123.08069	2.8
123.11768	1.2
125.02356	3.6
127.03915	9.1
133.06433	1.3
133.10103	4.0
133.97473	1.9
135.11732	1.4
137.06001	4.7
139.03906	86.9
141.05470	3.2
147.04463	1.6
147.11664	4.1
149.09636	1.7
151.03888	3.0
151.07552	1.8
153.01721	1.0
153.05478	13.1
161.06030	2.3
161.09686	2.5
161.13280	1.7
165.05487	7.9
165.09088	1.0
179.03477	1.1
179.07086	1.2
189.09125	2.0
189.12669	1.3
189.16414	3.4
207.06566	6.3
207.10172	100.0
207.13863	4.7
207.17596	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	207.1015
Annotation	2-Methoxy-6-prenyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.25903	0.9
53.03947	5.2
53.99283	0.7
55.01865	3.2
55.05515	5.5
57.03429	1.4
57.07058	1.9
63.34476	0.7
65.03939	3.9
67.05508	15.6
68.99785	6.9
69.03421	3.5
69.07064	3.9
70.16507	2.7
71.04984	1.9
79.05495	28.1
80.10511	0.8
81.03398	2.2
81.07058	55.5
83.04995	4.1
83.08595	1.7
85.06528	1.3
91.05480	36.7
93.03397	1.3
93.07043	42.3
95.04965	11.3
95.08609	9.5
97.06523	1.1
103.05476	1.4
105.04499	0.9
105.06390	1.0
105.07040	14.1
107.04945	1.6
107.08611	7.6
108.05752	1.7
109.06527	10.0
109.10146	2.5
111.00802	8.1
111.04459	4.0
115.96413	1.4
117.07007	2.2
118.04227	1.3
119.04948	18.0
119.07900	1.0
119.08587	10.3
121.02863	1.4
121.06481	2.6
121.10146	2.1
123.04434	41.0
123.08073	5.8
123.11674	1.3
127.03916	3.2
127.07503	0.9
128.06281	1.6
129.07004	4.5
131.08618	1.0
133.06473	2.3
133.10127	5.8
135.11700	1.9
136.05205	3.0
137.05978	44.8
137.09598	1.8
139.03906	100.0
143.08542	2.7
145.10124	5.4
146.03592	2.0
147.04413	11.3
147.08052	2.4
147.11690	28.1
149.02361	6.9
149.05963	2.0
149.09595	2.4
150.84618	0.9
151.03909	5.1
151.07547	6.6
153.05495	4.8
156.09323	1.0
161.05936	1.5
161.09598	3.3
161.13258	7.4
163.03918	3.2
163.11208	1.3
163.61079	0.8
164.04677	9.1
165.05479	68.0
171.11696	9.9
174.03137	2.2
175.03810	0.8
177.05536	1.0
179.07054	11.6
189.05591	1.0
189.09126	3.2
189.12767	6.6
189.14336	1.0
189.16389	3.4
192.04129	3.9
192.09422	1.2
207.06560	23.3
207.10162	62.2
207.13736	17.5
207.17448	3.1
213.64868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03950	1.1
53.74378	0.5
55.01873	1.4
55.05502	3.0
57.07079	0.7
58.06704	0.5
58.40343	0.8
58.97124	0.6
59.05006	0.6
61.25300	0.5
65.03944	3.8
67.05507	98.0
68.99799	3.0
69.03428	14.4
69.07078	2.1
71.04996	1.4
77.03932	0.6
79.05490	9.1
81.03426	0.9
81.07059	12.0
83.01327	4.8
83.04990	1.6
85.02910	0.8
91.05490	10.2
93.07047	10.3
95.04969	4.8
95.08620	7.0
97.02895	2.6
97.06528	1.3
103.05467	1.2
105.07029	10.3
105.07684	1.0
107.04951	2.3
107.08597	4.1
108.05672	0.6
109.02868	1.0
109.06523	11.8
109.10176	2.9
111.00800	0.8
111.04406	0.8
111.08027	0.6
115.05480	0.9
115.96439	2.6
116.97238	1.4
117.07027	1.2
119.04940	2.7
119.08577	7.2
121.06510	2.4
121.10131	3.4
123.04431	3.3
123.08074	5.1
123.11717	1.2
125.02359	19.5
125.05997	4.9
128.06239	1.2
129.06963	1.2
131.08545	1.4
133.06503	2.3
133.10127	5.8
133.97493	1.2
135.08076	1.1
135.11681	1.1
136.05206	0.6
137.05983	40.5
137.09625	2.1
139.03920	1.2
139.67656	0.6
141.05461	13.5
143.08542	3.0
145.06477	0.7
145.10104	2.1
146.03619	0.9
147.04399	2.7
147.08018	2.4
147.11690	7.5
149.02335	1.6
149.06044	0.7
149.09676	2.8
149.13249	1.2
151.03929	1.1
151.07539	9.2
151.11177	1.0
153.05472	80.8
156.09337	0.9
161.05968	1.6
161.09621	5.1
161.13277	2.9
163.03876	1.0
163.11157	1.7
164.04716	3.9
165.05487	6.2
165.09181	1.3
165.12747	1.1
171.11696	1.7
174.06769	2.2
175.03902	1.0
177.05513	1.6
178.06255	1.1
179.07059	14.8
179.08546	0.6
179.10628	3.9
189.09108	5.2
189.12816	4.3
189.14336	0.8
189.16403	2.5
192.04202	1.7
192.09367	1.0
207.06837	10.9
207.10168	100.0
207.13759	8.5
207.17432	2.5
208.10381	1.3
227.39510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1026
Annotation	Casuarine
Peak:m/z	Relative Intensity
52.68361	0.2
54.03460	0.2
55.01861	0.4
55.05500	0.3
56.05035	1.7
57.03445	1.2
57.09809	0.2
57.45139	0.2
58.06590	0.4
58.65702	0.2
60.04527	1.6
67.05497	0.2
68.05027	1.7
68.18982	0.2
69.03435	1.2
69.91671	0.4
69.92097	0.7
70.06569	0.3
70.37545	0.2
72.04513	2.2
72.86939	0.2
73.02924	1.1
74.06083	1.2
76.90076	0.2
80.05016	2.4
81.03403	0.3
82.06578	2.1
84.04511	1.3
85.02888	0.6
86.06085	1.1
87.04461	0.6
94.06580	0.3
95.04961	0.3
95.36318	0.2
96.04509	0.7
96.08135	1.1
98.06052	0.9
100.07601	0.4
102.04924	0.3
102.05551	4.5
106.06567	1.3
110.06052	2.2
114.05523	1.0
116.07090	0.8
122.06055	2.4
124.07603	1.3
126.05541	0.3
128.07085	15.0
132.06570	5.4
134.06053	1.1
140.07068	0.8
142.08612	1.0
144.06598	0.6
152.07094	3.6
158.08109	0.7
160.09729	1.0
170.08133	5.0
188.07455	0.3
188.09184	5.6
206.10249	100.0
207.10577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03941	1.2
55.01866	2.3
55.05498	2.2
57.03434	1.0
62.98240	0.7
65.03934	4.6
67.05504	25.0
68.09211	0.8
68.37519	0.7
68.99784	4.7
69.03418	4.4
69.07066	1.6
71.04985	1.1
71.57430	1.2
75.68794	0.6
79.05500	7.8
81.03416	1.9
81.06707	0.6
81.07064	6.9
81.50232	0.8
83.01331	3.5
83.04975	2.5
85.02901	1.4
88.88173	0.6
90.04716	0.8
91.05482	26.6
92.05807	1.0
93.03421	1.9
93.07054	8.2
95.04974	11.8
95.08602	9.1
98.21088	0.9
103.05478	5.1
105.03400	2.0
105.07045	15.6
106.04170	2.0
107.05018	3.5
107.08588	4.5
108.05726	4.0
109.06521	5.0
109.10148	2.1
111.04437	2.1
111.09887	0.7
115.05457	2.9
115.96449	2.7
116.30167	0.7
117.07016	2.0
118.04160	4.0
119.04957	22.1
119.08582	6.4
121.02878	2.7
121.06510	6.8
121.10142	2.6
123.04436	7.3
123.08073	13.1
123.11713	2.2
128.06213	3.3
129.07021	1.5
131.04959	1.9
131.08578	2.0
132.05743	0.8
133.06494	4.4
133.10132	8.2
133.97490	1.6
134.03671	1.5
135.04431	2.6
135.08061	1.5
136.05191	9.0
137.05986	13.4
137.09607	2.0
138.06770	11.0
139.03923	1.3
139.07594	2.0
141.05467	3.8
143.08569	5.8
145.06473	1.7
145.10144	1.2
146.03633	7.5
146.07301	6.1
147.04410	17.2
147.08092	4.3
147.11697	5.4
149.02336	23.2
149.06001	5.8
149.09639	3.2
151.07549	84.8
151.11224	2.2
153.05470	31.0
159.08136	0.7
161.05989	3.8
161.09636	14.1
161.13289	2.7
163.03908	6.7
163.07535	1.6
163.11179	1.7
164.04692	30.3
164.08345	2.5
165.05463	2.6
165.09142	1.7
165.12778	1.6
167.07056	9.3
169.47911	0.8
171.08041	1.4
171.11684	1.0
174.03149	7.8
174.06764	3.6
175.03859	1.9
175.07549	3.3
176.08331	0.9
177.05481	6.1
177.09085	0.8
178.06290	4.2
179.05431	1.4
179.07066	26.8
179.10669	42.6
189.05542	1.5
189.09106	15.3
189.12782	3.0
189.16351	1.9
190.02631	0.9
191.03372	1.6
192.04178	11.9
192.07819	4.1
207.06555	63.6
207.10159	100.0
207.13823	10.4
207.17514	2.7
208.06956	1.2
208.10492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.96572	0.4
57.07076	0.4
60.04541	0.4
62.60651	0.2
63.61287	0.2
68.99799	0.3
69.03456	0.3
70.03825	1.2
72.04556	0.3
77.36745	0.2
80.05032	0.5
80.41975	0.3
81.03429	0.5
82.06595	0.3
84.04526	0.3
85.02909	0.5
88.02231	0.3
96.04491	0.3
98.20811	0.4
98.21325	0.3
99.96912	0.3
102.05531	0.3
104.04991	0.5
106.06559	0.3
108.04488	0.7
116.05321	0.6
128.07095	1.2
132.04459	26.0
142.06514	0.3
146.08133	0.3
149.02330	0.6
150.02695	1.9
160.04057	0.7
171.04475	0.2
178.05003	100.0
179.05362	0.8
188.07085	0.4
188.09224	0.6
189.07338	0.5
191.14262	0.6
201.00711	0.4
201.06648	0.3
206.04495	54.1
206.08315	1.1
206.10138	6.8
207.04871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
51.03006	0.6
53.03947	1.4
54.03489	0.7
55.05525	0.5
65.03954	2.2
67.05505	22.4
69.03425	0.7
69.07076	1.5
69.44729	4.7
71.88157	0.5
79.05493	4.6
80.05025	1.8
81.03431	0.8
81.04597	0.6
81.07050	2.9
82.02960	3.6
82.06606	1.0
82.07080	0.6
83.28119	0.5
84.04513	2.6
91.05503	2.0
93.05803	1.5
93.07060	0.8
94.06567	2.0
95.04971	14.5
95.08626	0.8
96.04485	4.9
96.05785	1.3
97.06529	0.7
98.20946	1.9
98.21505	0.7
105.07030	3.2
106.06591	1.6
107.07335	3.9
107.08584	0.5
108.08122	20.5
108.08865	1.2
110.02390	0.8
110.06053	7.3
115.05478	0.8
117.05774	1.0
117.07026	0.9
117.97176	0.6
118.06560	1.3
118.07323	0.8
119.08598	0.7
120.08117	1.1
122.06046	2.6
122.09681	7.4
129.49518	0.5
132.08069	1.3
133.10056	0.6
134.06021	1.2
135.06790	1.6
146.05936	0.8
147.08122	0.9
148.07550	0.9
149.02368	0.7
150.02689	1.3
150.09149	36.3
160.07535	0.9
161.05991	0.7
178.08640	100.0
179.08936	1.2
188.06935	0.7
191.14294	1.3
206.08128	63.7
206.12314	1.8
207.06572	1.0
207.13628	0.7
225.26253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05503	7.4
57.07077	4.9
61.31654	0.8
62.22021	0.7
67.05505	9.3
69.07062	12.0
71.18979	0.8
71.19294	1.1
79.05492	11.5
81.07055	35.4
83.08610	3.6
91.05476	3.2
93.07045	28.0
95.04976	1.0
95.08604	19.4
97.10154	3.5
105.07027	2.5
107.08598	28.1
109.09455	1.4
109.10158	21.0
119.08517	1.1
121.10136	11.4
123.11707	100.0
124.12039	1.0
131.73953	0.8
135.11694	64.7
136.11925	0.9
149.02376	5.7
149.13261	26.5
158.69942	0.8
163.14818	2.7
205.08604	1.7
205.12242	2.0
205.15837	1.5
205.19521	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03946	0.3
55.01890	0.3
55.05510	0.4
56.05031	0.3
56.96568	1.1
57.03432	0.3
57.07085	0.3
58.50001	0.2
60.04527	0.6
65.03927	0.2
68.05035	0.2
69.03432	0.4
69.81728	0.4
69.82138	1.0
70.06602	0.2
72.04527	0.4
73.02927	0.4
73.06549	0.3
76.04003	0.4
80.05039	0.6
81.03437	0.6
81.07054	0.2
82.06600	0.3
84.04518	0.2
84.08159	0.2
85.02908	0.6
87.04477	0.2
88.02235	0.3
88.03960	0.3
91.05479	0.4
94.06528	0.2
95.04958	0.2
96.04491	0.2
97.02895	0.5
97.51008	0.2
98.09694	0.6
98.20804	0.2
98.97612	0.2
102.05559	0.5
104.04993	0.8
105.03407	1.0
105.07011	0.3
106.06549	0.2
107.04967	0.3
108.04498	0.6
110.06059	0.3
116.01707	0.3
116.05297	0.6
116.98592	0.4
121.02824	0.2
122.03252	0.2
122.06046	0.4
128.07089	1.1
128.98643	0.3
131.04990	0.3
132.04462	11.4
132.06552	0.5
133.02866	0.5
134.06071	0.2
139.03934	0.3
142.06488	0.3
144.10220	1.2
146.05981	0.4
147.06337	0.2
149.02322	0.8
150.02727	1.4
150.05501	2.1
151.03864	0.3
152.07031	0.5
153.01816	0.5
160.03871	1.0
160.09689	0.2
166.44498	0.2
170.06018	1.2
170.08127	0.5
173.01231	0.4
178.05005	100.0
179.05318	0.8
182.99602	0.4
188.07138	1.0
188.09198	1.2
189.07498	0.2
191.14272	0.5
201.00725	1.8
206.04498	43.8
206.08150	2.6
206.10220	9.7
207.04851	0.4
219.01755	0.6
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
53.03937	1.4
55.05512	9.1
56.69585	0.7
57.07077	8.0
60.04513	1.0
60.60613	0.7
65.03928	2.0
67.05508	10.2
69.03417	0.8
69.07069	11.7
69.38708	5.5
71.08620	1.0
75.31170	0.6
79.05496	12.6
81.07060	36.3
83.08628	4.2
85.02919	1.0
91.05488	4.7
92.36862	0.6
93.03388	0.9
93.07047	30.8
95.04945	0.7
95.08611	22.3
97.02895	1.8
97.10159	4.8
98.20822	2.1
98.21514	1.4
103.05528	0.7
105.07021	4.3
107.08595	32.8
109.06528	1.1
109.10161	20.8
111.04456	0.6
111.11750	0.8
117.07015	2.4
119.08598	1.2
121.02876	2.9
121.06510	2.4
121.10155	14.8
122.10453	0.9
123.11711	100.0
123.35931	0.7
124.12000	1.3
131.08583	1.4
133.10023	0.8
135.08072	1.1
135.11697	61.1
137.13263	0.9
145.06386	0.6
145.10130	2.3
147.11717	1.5
149.02345	23.6
149.09639	0.8
149.13261	31.7
159.11720	1.5
161.09615	1.6
161.13226	0.9
163.11227	1.4
163.14821	3.9
177.12733	1.5
187.07600	0.9
187.11224	1.5
187.14830	1.1
193.22717	0.7
205.05109	0.9
205.08644	2.5
205.12402	5.1
205.14185	2.3
205.15855	4.9
205.19519	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
51.39484	1.3
53.03930	3.2
55.01866	2.2
55.05515	22.3
55.93520	2.0
57.03427	2.8
57.07075	10.5
62.95792	1.3
65.03947	3.2
67.05170	2.2
67.05507	25.6
69.07072	30.1
69.48112	10.5
71.08611	2.4
71.92996	1.8
72.93797	16.9
79.05495	37.6
81.07061	52.4
82.19514	1.4
83.04964	1.4
83.08623	11.0
85.04867	1.5
90.94832	5.6
91.05484	17.1
93.07047	81.9
95.04964	5.0
95.08613	55.6
97.02870	2.5
97.06532	2.0
97.10181	10.1
105.04514	1.6
105.07027	11.8
107.08600	70.2
109.06490	2.1
109.09454	2.9
109.10165	47.1
111.11727	4.7
113.96407	36.9
115.94308	1.5
117.07059	3.0
119.08598	8.2
121.02837	5.2
121.06519	2.4
121.10150	100.0
123.04431	1.6
123.08039	2.5
123.11728	16.7
131.08601	9.2
131.97444	29.0
133.10146	4.8
135.08087	3.2
135.11707	42.6
137.13258	2.4
145.10150	8.3
146.43991	1.4
147.11693	3.1
149.02348	33.2
149.09593	4.3
149.13261	65.2
151.39507	1.4
154.99048	10.7
159.11697	4.4
161.13242	4.8
163.03891	2.8
163.07571	2.4
163.11160	2.9
163.14825	10.4
177.05424	2.7
177.12732	2.3
177.16362	4.7
187.14806	11.0
205.04962	22.9
205.08572	15.6
205.09964	1.4
205.12231	5.1
205.14032	3.1
205.15884	32.0
205.19531	45.9
206.19989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03944	1.8
53.19472	0.6
55.05268	0.6
55.05516	9.4
57.07078	6.4
65.03928	2.0
67.05173	0.7
67.05511	8.9
69.03436	1.2
69.07070	15.7
71.08634	0.7
75.83369	0.6
79.05497	10.7
81.07060	52.9
83.08641	4.4
88.33695	0.7
91.05496	5.9
93.03400	0.7
93.07051	45.2
95.04984	1.4
95.08046	1.3
95.08614	20.1
97.10193	3.7
98.03185	0.7
103.05436	0.7
105.07022	4.5
105.12070	0.6
107.08599	26.7
109.06487	0.9
109.10162	19.2
111.04488	1.0
111.11719	1.7
112.99212	0.7
113.96353	0.7
119.08591	1.9
121.02860	4.8
121.06503	2.0
121.10149	100.0
122.07184	1.4
122.10483	1.1
123.08030	1.1
123.11716	8.3
125.92873	0.6
127.05868	1.0
131.08507	1.1
135.08038	1.8
135.11697	14.8
136.08696	0.9
145.10124	1.3
149.02347	33.4
149.09625	2.4
149.13268	30.6
150.02733	1.0
159.08093	0.7
159.11627	1.6
161.06020	0.9
161.09663	1.1
163.09811	1.6
163.11156	1.7
163.14810	3.8
164.09364	1.5
172.08896	0.6
175.07465	0.7
177.12772	2.3
187.07965	0.7
187.11217	1.3
190.09868	2.7
205.09059	1.4
205.12260	14.3
205.14180	2.3
205.15898	1.3
205.19514	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.23256	1.0
53.03944	2.3
55.05517	9.4
57.07090	5.9
65.03942	2.9
67.05515	8.5
69.07074	15.0
70.06570	0.9
71.57834	1.0
71.82390	1.0
72.93786	1.4
79.05497	13.0
80.09570	1.0
81.03452	1.1
81.07063	52.7
83.08617	4.5
85.02886	1.2
91.05479	8.1
92.46986	1.0
93.07050	51.6
95.04946	1.3
95.08614	23.9
96.35987	1.2
97.10149	4.2
98.21051	1.1
105.07047	6.2
107.08601	26.7
109.10154	18.8
111.04494	1.6
111.11738	1.6
113.96426	5.2
119.08535	2.2
121.02901	5.5
121.06528	2.8
121.10152	100.0
122.07178	1.6
123.08095	1.7
123.11751	7.2
131.08519	1.1
131.97453	5.2
135.11710	14.7
143.87025	1.1
145.10133	2.1
149.02354	37.2
149.09566	1.0
149.13274	32.1
154.99101	1.0
159.11674	1.3
163.09790	1.5
163.14810	2.8
164.09323	2.2
177.12692	1.2
187.11133	1.3
205.08629	7.3
205.10208	0.9
205.10538	1.0
205.12248	7.3
205.14214	2.9
205.15919	4.3
205.19550	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03947	2.1
53.88606	0.6
54.91560	0.6
55.05514	11.1
57.07076	4.1
65.03938	1.3
67.05505	11.6
69.07069	18.0
69.50961	1.6
69.51369	4.0
71.08638	2.0
79.05494	16.4
81.07059	49.9
83.08621	6.2
91.05486	8.7
93.07047	50.8
94.95618	0.7
95.04992	1.9
95.08609	27.1
97.10182	5.8
98.21022	2.9
105.07047	5.3
105.85838	0.8
107.08596	33.6
109.10158	23.2
111.00856	0.9
111.11720	1.1
113.96390	1.3
119.08595	2.5
121.02878	1.0
121.10148	100.0
122.10497	1.1
123.04433	2.4
123.11707	11.3
131.08572	1.5
133.10101	1.0
135.11691	21.0
137.13239	1.6
139.03955	2.7
145.10147	1.7
149.02336	8.5
149.13264	41.6
159.11726	0.9
163.14825	3.9
177.05429	0.9
177.09122	0.7
177.16360	1.2
187.14862	2.2
194.82153	0.7
205.04881	0.9
205.08618	6.6
205.15854	6.2
205.19511	24.1
227.15665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05511	8.8
57.07070	3.2
65.03946	1.0
67.05506	11.3
69.06717	1.2
69.07069	17.2
70.00053	2.3
71.08612	0.9
71.56301	0.6
79.05489	11.8
81.07057	52.5
83.08631	6.9
83.25453	0.5
91.05482	6.6
93.07045	51.4
95.04970	0.8
95.08604	25.0
97.10176	4.8
98.20806	0.7
98.21352	1.3
105.07046	4.5
107.08595	31.7
109.06473	0.7
109.10152	21.7
111.11713	2.4
112.91312	0.6
118.86332	0.6
119.06031	0.7
119.08560	1.2
121.10143	100.0
122.10472	0.9
123.08089	1.0
123.11718	10.4
133.07535	0.7
135.11690	18.3
137.13235	1.2
147.11681	0.7
147.60150	0.6
149.02350	1.4
149.13260	41.8
150.22574	0.6
163.14830	3.9
192.64790	0.6
205.19521	19.9
205.27611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05511	6.9
57.07074	3.7
59.17456	0.7
59.40337	0.7
67.05507	7.4
69.07069	14.2
70.00018	3.9
74.88450	0.7
79.05116	0.9
79.05497	9.5
81.07057	50.5
83.08607	5.3
91.05463	5.6
93.07044	43.0
93.07533	0.6
95.04945	0.9
95.08609	24.7
95.44610	0.8
97.10192	4.3
97.26305	0.7
98.21026	1.9
99.38196	0.8
105.07023	4.0
105.95573	0.7
107.08593	28.4
109.09460	1.1
109.10162	16.8
111.11697	1.7
113.20588	0.8
119.08576	1.4
121.10143	100.0
123.08073	0.7
123.11715	12.8
133.97760	0.9
135.11703	17.1
146.79379	0.8
148.38519	0.7
149.02367	5.6
149.13255	36.3
163.14812	2.9
205.08749	0.9
205.19519	20.4
216.07079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03949	1.3
55.05515	9.5
57.07062	3.1
61.13028	0.9
67.05498	10.6
69.07069	16.7
69.93575	5.3
71.08620	1.4
74.17187	0.9
79.05492	13.8
81.07056	60.2
83.08633	6.6
91.05490	5.6
93.07044	49.1
93.07520	0.7
95.04980	1.4
95.08605	30.6
97.10191	5.6
98.20950	2.2
105.07031	4.0
107.08597	32.7
109.10162	24.2
111.11694	1.6
121.10143	100.0
122.10447	1.2
123.11697	10.5
135.11693	21.9
149.13260	40.8
163.14812	4.1
205.19524	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.56651	0.6
53.03934	1.3
55.05510	7.2
57.07076	2.7
67.05222	0.6
67.05510	8.0
69.07069	14.9
70.34195	0.6
70.83144	1.4
71.29633	0.5
71.40780	0.5
79.05489	11.6
81.07056	47.8
83.08620	3.7
91.05483	5.7
93.07046	48.2
95.04945	1.1
95.08605	21.4
97.10165	3.5
97.44892	0.6
98.21184	1.2
98.22797	0.6
100.27974	0.5
104.67763	0.5
105.07008	3.3
107.07855	1.3
107.08592	24.7
109.10153	15.0
111.11739	1.7
115.78835	0.6
119.08517	1.4
119.51756	0.5
121.10143	100.0
121.68023	0.6
122.10478	1.3
123.11700	8.5
132.82430	0.6
133.10144	0.7
135.11693	16.2
137.13211	1.0
149.02371	3.6
149.13258	29.3
154.91660	0.6
161.13237	0.7
163.14848	2.1
205.05080	0.9
205.08681	2.0
205.15921	1.3
205.19521	13.6
220.47078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
51.77956	0.6
53.03945	1.4
55.05510	13.9
55.74213	0.6
57.07076	6.1
60.78376	0.6
65.03937	1.6
67.05173	1.0
67.05509	16.8
69.07072	24.0
70.19133	2.5
71.08624	2.7
75.34763	0.6
79.05052	1.2
79.05493	16.3
81.07059	38.5
83.08625	8.5
91.05474	5.9
93.07047	50.0
95.04972	1.4
95.08609	36.1
97.10175	6.7
98.21150	1.8
105.07038	4.0
107.08601	48.4
109.10156	34.7
111.11705	2.5
119.08592	1.8
121.02863	1.4
121.10147	33.4
121.32006	0.7
123.08051	0.7
123.11710	27.0
131.08553	1.0
133.10147	1.2
135.11693	35.7
137.13245	2.2
145.10121	2.2
147.11710	1.5
149.02357	7.6
149.13261	100.0
150.13600	1.5
150.92157	0.6
161.13303	0.8
163.11281	0.9
163.14812	8.7
187.14877	1.5
205.08652	2.0
205.12300	1.5
205.14262	0.9
205.15930	3.3
205.19537	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03939	5.7
54.20379	1.3
55.01864	5.1
55.05516	13.0
57.02626	1.8
57.03442	13.1
57.07060	6.0
58.57724	1.5
65.03926	2.3
65.85627	1.5
67.05505	30.4
69.03431	2.3
69.07072	10.2
71.04977	6.2
71.08611	1.4
72.93787	10.2
73.84290	1.4
74.33139	1.4
79.05495	80.5
80.04982	1.5
81.07057	27.2
83.04979	3.7
83.08617	8.1
85.02914	2.0
85.06535	8.7
91.05480	35.0
93.03411	2.5
93.07047	79.0
95.04970	10.6
95.08038	2.6
95.08610	33.3
97.06560	9.2
97.10125	2.5
98.20804	5.4
98.21494	4.1
103.05401	2.6
103.54453	1.4
105.07025	26.4
107.04967	7.5
107.08597	58.9
109.06504	5.1
109.10166	15.5
111.04433	1.7
111.08067	4.1
113.96411	20.4
117.07041	16.5
119.08585	20.5
121.02863	5.9
121.06522	4.5
121.10147	87.3
123.04436	3.6
123.08038	5.1
123.11694	5.1
125.09641	2.3
129.06975	1.9
130.07806	1.5
131.08585	22.5
131.97441	16.3
133.10101	13.5
135.08025	12.0
135.11720	16.5
137.09541	1.6
139.03888	2.9
145.06490	2.3
145.09055	1.8
145.10123	30.9
147.11678	9.3
149.02350	34.3
149.09628	14.6
149.13300	12.0
154.99037	3.1
158.07112	1.7
159.08107	1.5
159.11688	14.2
161.13284	11.7
163.03850	7.9
163.07536	9.3
163.11160	6.7
163.14772	3.5
177.05504	11.4
177.09082	3.8
177.16367	8.9
187.14809	44.1
190.06297	2.5
205.06767	2.7
205.08603	37.1
205.10252	2.4
205.11864	3.1
205.12485	3.0
205.15881	100.0
205.19485	6.4
206.16251	1.9
210.37724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03936	2.7
55.01860	2.9
55.05515	18.7
57.03444	10.1
57.07064	7.8
58.16916	1.8
60.24407	1.8
62.44658	1.7
65.03934	4.4
67.05506	38.6
69.07074	24.0
71.04991	4.2
71.08607	2.5
72.93796	17.7
79.05495	64.3
79.05957	3.3
81.07057	54.4
83.08624	13.7
85.06522	3.5
91.05481	31.7
93.07047	87.4
95.04942	9.4
95.08608	51.7
95.09126	1.3
97.06528	5.9
97.10186	7.0
105.07031	20.9
107.04959	2.3
107.08597	72.2
109.06518	4.7
109.10155	40.5
111.08094	3.3
113.96405	41.7
115.05434	2.8
117.07030	10.0
119.08579	13.6
121.02856	8.1
121.06490	4.7
121.10147	100.0
123.08058	3.0
123.11723	16.3
131.08578	18.4
131.97440	24.8
133.10147	12.5
135.08064	10.4
135.10693	2.5
135.11700	32.6
137.09631	2.2
137.13260	2.8
145.10117	21.7
147.11678	5.6
148.33508	2.0
149.02350	56.4
149.03491	4.0
149.09570	10.4
149.13266	45.0
154.98990	6.9
159.11693	8.1
161.13300	9.6
163.03864	2.1
163.07523	3.4
163.11189	5.7
163.14844	8.1
177.05496	3.3
177.16423	8.8
187.14844	35.9
192.71307	2.1
205.05003	2.3
205.08621	23.0
205.10403	2.7
205.12262	5.9
205.14372	3.1
205.15906	83.2
205.19568	33.6
206.99796	2.1
229.56369	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.82247	1.7
53.03929	4.1
55.01868	5.8
55.05511	14.8
57.03446	11.3
57.07066	6.8
60.41562	1.5
62.91918	1.4
63.26410	1.4
65.03928	3.8
67.05172	2.5
67.05507	36.6
69.03442	1.4
69.07068	14.8
70.75821	1.4
70.96585	3.4
71.04977	6.9
72.93775	6.5
79.05492	79.9
81.03407	2.4
81.07059	37.7
82.90355	1.5
83.04956	5.1
83.08600	5.7
85.06550	8.1
90.94791	2.2
91.05487	34.2
91.94014	1.5
93.07048	84.3
95.04976	8.7
95.08047	2.9
95.08607	40.5
97.06538	8.1
97.10190	2.2
98.21102	2.3
99.08024	1.6
105.07026	28.1
107.04960	7.8
107.08596	62.4
109.06492	6.0
109.10155	25.9
111.08102	3.7
113.96407	17.7
117.07022	15.0
119.08572	20.9
121.02859	4.6
121.06510	4.0
121.10146	100.0
123.04379	2.5
123.08050	3.6
123.11681	6.9
129.06975	2.7
130.07771	1.7
131.08585	26.7
131.97470	10.2
133.10124	17.3
135.08075	11.9
135.11696	21.0
137.09586	2.7
139.03934	2.6
145.10124	31.7
147.11714	9.4
149.02350	37.1
149.09615	17.8
149.13275	16.4
154.99007	2.2
159.11685	10.9
161.13242	9.7
163.03879	7.2
163.07549	9.6
163.11157	6.8
163.14795	4.3
177.05481	11.6
177.09077	4.2
177.12735	2.2
177.16388	10.6
187.14816	44.5
191.69408	1.7
205.04916	2.9
205.08589	38.7
205.12166	4.0
205.15883	98.1
205.19363	10.6
206.16183	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03939	3.0
53.12711	1.7
55.05502	16.7
57.03431	2.0
57.07090	8.8
65.03958	2.2
66.45771	1.6
67.05508	18.8
69.07071	20.2
69.92721	5.9
71.04976	2.0
79.05488	15.9
81.07058	83.4
83.04983	28.5
83.08606	5.9
83.17040	1.6
91.05476	21.8
93.07041	30.9
95.04951	3.2
95.08604	52.5
97.10160	4.4
98.21224	4.1
103.05471	2.0
105.07028	83.3
107.08586	39.0
109.06505	3.4
109.10157	16.4
111.08057	2.6
115.05435	7.3
117.07007	23.1
119.08578	58.8
121.06470	4.8
121.10139	34.9
123.08090	1.9
123.11708	72.9
128.06223	2.4
129.06970	3.5
130.07785	7.2
131.08575	48.3
133.10126	40.0
135.08052	9.3
135.11700	14.5
137.09610	2.4
143.08574	6.2
144.09329	4.5
145.06473	7.8
145.10123	96.7
147.11690	18.7
149.02350	17.7
149.09625	4.1
149.13268	13.8
155.05994	2.6
157.10103	4.5
157.81874	2.2
158.10893	6.4
159.11697	22.9
160.12425	2.4
161.05952	1.8
161.13263	9.0
163.11258	3.6
163.14787	4.9
172.12494	3.5
173.05972	4.4
173.13252	32.4
175.14824	71.9
177.12816	3.2
177.16368	19.7
187.14832	48.6
190.09972	2.3
205.08624	9.7
205.12411	13.9
205.15877	100.0
205.19183	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	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03941	2.6
55.01873	9.1
55.05510	9.4
55.88385	1.3
57.03437	7.7
57.07061	6.8
65.03940	3.2
67.05504	22.7
69.07061	6.1
70.82582	4.4
71.04994	3.2
71.08634	3.1
79.05495	63.7
81.07059	15.7
83.04968	4.2
83.08617	2.7
85.06534	5.7
91.05486	25.9
93.07052	45.5
95.04964	6.8
95.08615	20.9
97.02878	2.5
97.06537	5.9
98.21356	1.8
99.08102	2.6
105.07043	19.8
107.04961	4.1
107.08596	33.7
109.06520	4.6
109.10157	10.7
111.08100	2.8
113.96378	2.9
115.05395	2.3
117.07013	11.9
119.08589	15.9
121.02853	5.8
121.06450	3.4
121.10143	58.1
123.08098	3.4
123.11723	2.5
131.08578	22.0
131.97414	1.8
132.08165	1.5
133.10129	10.2
135.08066	18.5
135.11707	8.5
137.09613	2.5
145.10121	24.1
147.11711	7.0
149.02351	38.1
149.05948	1.7
149.09621	26.9
149.13280	3.3
159.11714	9.9
161.13275	8.8
163.03943	2.1
163.07385	2.0
163.11191	6.3
163.14861	2.3
177.05444	2.1
177.12773	3.4
177.16402	6.9
187.14824	25.7
205.08569	15.9
205.12273	6.8
205.14342	3.6
205.15887	100.0
207.29771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03933	3.3
53.16524	1.5
55.01866	5.5
55.05513	9.5
57.03439	14.5
57.07071	9.3
65.03943	3.9
67.05509	29.9
68.02956	1.7
69.03401	1.6
69.07071	8.4
71.04994	7.3
71.50057	1.8
79.05493	72.0
81.03441	1.8
81.07059	21.0
83.04988	2.9
83.08584	4.9
85.06544	7.5
91.05477	30.5
93.07047	53.3
95.04941	5.2
95.08606	20.9
97.06518	8.3
98.21185	2.3
102.25002	1.4
105.07032	22.5
107.04932	2.8
107.08598	48.1
108.26828	1.4
109.06499	4.5
109.10152	11.0
111.00814	2.3
111.08079	2.6
115.05518	1.7
116.06226	2.2
117.07011	10.5
119.08588	18.8
120.57541	1.5
121.02850	5.6
121.06509	4.8
121.10146	65.7
121.11031	3.3
123.04423	3.2
123.08054	4.1
123.11662	3.1
131.08577	23.8
133.06538	1.6
133.10144	13.8
135.08038	8.9
135.11670	9.5
137.09627	1.9
139.03899	7.2
143.08517	3.0
144.09335	1.8
145.10129	28.5
145.23651	1.5
147.11690	10.7
149.02353	34.2
149.09610	17.2
149.13208	2.0
159.11690	11.1
161.09586	1.8
161.13239	9.1
161.30963	1.7
163.03900	2.9
163.11162	6.8
163.14783	2.4
177.05449	6.2
177.09129	3.3
177.16394	6.9
187.11209	1.9
187.14824	45.3
205.04880	8.4
205.08568	17.6
205.12277	4.2
205.14304	4.0
205.15878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05499	8.2
57.07063	8.0
59.26746	2.6
61.39323	2.6
65.03954	4.5
65.57600	2.8
67.05501	16.4
69.07067	18.5
70.80041	2.8
70.80359	5.1
71.04988	3.1
74.03061	3.0
78.99059	2.6
79.05480	15.9
81.07058	93.2
83.04984	34.3
83.08601	5.1
91.05467	20.2
93.07038	31.8
95.08607	45.8
97.10143	3.6
98.20931	3.8
105.07033	77.1
107.08591	25.9
109.10143	9.1
109.72278	2.6
117.07008	14.3
119.08575	60.0
121.10158	28.0
123.11703	72.6
129.06979	3.9
130.07759	5.3
131.08563	49.7
133.10139	45.6
135.08009	4.9
135.11685	7.2
143.08546	5.7
144.09396	4.2
145.10127	96.8
145.11281	4.7
147.11687	28.0
149.02315	14.2
149.13268	5.1
152.88438	2.7
157.10139	5.3
158.10884	5.8
159.11684	18.1
161.13260	6.2
172.12497	3.6
173.13258	38.4
175.14828	89.2
176.20488	2.7
177.16382	20.2
187.14822	48.6
205.15872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02379	0.3
51.34480	0.3
53.03951	3.9
55.01867	0.7
55.05510	0.4
57.07075	0.9
60.04515	0.5
65.03935	0.6
67.05507	0.8
69.03427	1.4
69.07075	0.6
70.15591	0.6
70.16003	1.0
70.67413	0.3
75.84171	0.3
77.03941	1.1
79.05492	1.4
81.03414	0.8
81.07068	0.6
83.04976	0.9
85.02899	0.5
85.06544	0.6
91.05482	19.5
93.07045	60.8
94.07384	0.7
95.04966	6.5
95.08603	0.5
97.02922	0.3
98.20879	0.5
98.21420	0.4
103.05467	3.1
105.04517	2.0
105.07024	1.8
107.08622	1.7
109.06528	0.3
115.05431	0.4
117.07025	1.4
118.06595	0.3
119.08585	2.4
121.02899	0.8
121.06506	100.0
122.06840	0.9
123.04451	0.7
127.07561	0.5
128.06157	0.3
129.06996	1.0
131.04945	0.5
131.08553	1.5
133.10095	0.3
135.08051	1.0
135.11674	1.1
141.06985	0.5
144.09373	1.2
145.06464	1.1
145.10114	2.1
146.06059	0.4
147.08061	0.6
148.51027	0.3
149.02341	6.3
149.05997	0.6
151.03949	0.4
159.04344	0.3
159.08080	0.9
159.11703	3.3
161.09662	0.6
163.11150	1.6
172.08777	0.4
173.05948	0.5
175.11172	0.4
177.05469	0.6
177.12759	1.3
187.07423	0.3
187.11209	1.4
205.04893	0.8
205.08510	1.4
205.12248	15.5
217.86400	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.06976	0.7
53.03944	1.3
54.10191	0.8
55.01849	1.1
56.05029	2.1
60.04530	11.3
61.02933	7.5
68.05022	1.7
69.03422	2.7
69.39606	6.2
70.06594	1.8
72.72987	0.7
80.05038	1.2
81.03423	2.7
82.06593	0.8
83.01343	0.9
83.04993	1.2
84.04509	100.0
85.02921	2.3
96.04502	14.3
97.02905	5.4
98.06055	8.9
98.20936	2.7
99.04471	1.6
100.03993	0.7
108.04537	1.0
109.02884	4.0
110.06083	1.5
114.05564	2.1
116.58865	0.7
124.03957	1.1
126.05524	78.1
127.03938	1.3
138.05511	62.7
144.06567	17.5
149.02399	1.0
156.06569	0.8
161.06052	1.6
168.06587	6.5
168.94530	0.7
172.72577	0.8
175.70799	0.9
186.07634	2.6
189.05486	1.4
189.11424	1.3
204.08855	7.1
204.13850	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	205.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
54.41935	2.2
55.01862	6.9
55.05497	8.7
56.96567	100.0
57.03443	19.4
57.07066	6.2
58.99869	2.8
59.04988	5.0
60.04508	7.6
61.02928	18.3
63.92936	4.8
65.03936	2.0
69.03432	28.0
69.07072	3.6
70.06561	2.4
71.01341	3.0
71.04974	9.5
71.06117	2.1
71.56557	3.4
71.95280	2.7
72.04476	2.5
72.08138	2.9
73.02508	2.2
73.02918	40.4
73.06524	3.4
78.95271	17.5
81.03423	13.4
83.04968	6.5
84.04500	3.3
84.96030	6.9
85.02904	37.2
87.04458	6.1
91.02414	2.7
91.05461	2.5
95.01328	3.9
96.01540	3.1
96.17970	2.4
97.02300	3.1
97.02893	30.5
97.04795	2.1
98.01243	2.4
98.21066	2.8
98.97586	76.0
99.04451	16.7
100.02470	5.1
100.99149	8.4
101.00883	12.5
101.01495	2.8
102.96891	3.4
103.00626	13.8
103.02431	3.5
105.03392	2.5
105.07058	2.2
108.02396	2.7
109.02844	5.4
110.01254	6.4
110.97585	11.8
111.02914	3.4
111.04520	2.1
112.99094	6.5
113.00852	8.5
113.02374	5.3
115.02427	7.5
116.07102	5.1
116.98627	39.5
117.02083	3.5
117.04014	4.0
118.00980	2.5
118.03539	4.6
119.00161	12.9
119.01903	48.6
119.97921	15.0
120.03429	4.6
121.01656	33.1
121.06497	2.9
122.94201	8.2
123.02972	2.3
123.23898	2.2
124.99150	2.7
125.01749	2.8
126.05579	2.0
127.00685	3.0
127.03934	24.3
127.05904	2.5
128.02306	6.3
128.98596	13.0
129.02911	3.6
129.03925	3.9
131.00153	8.0
131.01891	47.4
133.01709	10.3
133.03438	12.3
134.99651	14.5
135.03081	4.0
137.01146	2.4
137.02945	8.5
139.02658	9.1
140.02293	8.9
140.04901	2.5
140.55125	2.6
140.95221	9.3
142.03688	3.4
142.04962	2.6
143.00165	4.0
143.01888	12.0
143.03699	2.4
144.98055	6.8
145.01614	10.3
145.03461	8.1
145.10150	2.6
146.02296	3.9
146.99628	12.7
147.03146	7.5
147.04984	3.9
148.03880	6.2
149.01163	3.9
149.02170	32.6
152.02304	4.1
153.00700	2.2
154.03496	28.0
155.00117	3.6
155.01828	5.4
155.02858	6.8
157.03476	5.5
158.96283	9.6
158.99683	13.9
159.01378	6.4
159.03241	4.9
159.05028	6.8
161.01237	6.4
161.02908	23.4
161.07124	12.7
161.09612	3.7
162.03165	4.4
162.99127	9.8
163.02740	41.7
163.04204	3.4
163.96828	16.3
170.03339	9.1
170.99673	5.7
171.01352	3.2
172.04576	8.6
173.01212	7.1
173.02953	15.2
174.04443	2.4
174.99115	6.4
175.02824	3.2
175.04478	6.3
177.00688	10.0
177.02200	3.8
177.04175	3.6
177.06406	2.6
177.12733	3.0
178.04858	2.6
179.02307	3.0
179.03889	2.9
180.98430	4.1
181.00064	5.4
181.03770	12.1
181.97862	27.0
182.03102	8.2
182.06651	2.9
182.99678	2.7
185.02878	11.9
187.00987	3.2
187.02742	6.4
187.04553	8.4
188.82828	2.8
189.00726	6.7
189.02466	3.1
191.03955	4.8
193.03801	3.0
193.05466	2.8
196.04886	3.7
199.01010	2.7
199.99959	4.1
200.04068	2.8
201.00710	14.4
201.02432	4.4
203.04031	7.8
205.00185	6.9
205.03494	10.2
205.05602	12.4
205.09758	68.1
205.12038	4.4
205.13983	12.3
205.15742	4.1
206.10274	15.1
207.01761	2.7
209.02853	2.4
214.06013	2.7
215.00381	3.6
219.01724	11.3
221.05136	6.4
223.01181	5.0
223.04858	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.38565	0.8
53.03940	1.5
55.05508	7.9
55.88251	0.9
57.07076	2.0
67.05502	15.7
69.07069	14.7
69.62992	5.7
77.83878	0.9
79.05484	9.8
81.07056	50.5
83.08604	4.6
84.04480	1.0
91.05474	13.9
93.07050	18.9
93.51637	0.9
95.08607	44.6
98.20838	2.0
98.21444	1.9
101.47012	0.9
103.05383	0.9
105.07030	61.8
107.08596	23.8
109.10159	31.3
117.06985	2.4
117.38425	0.8
119.08578	40.5
121.10143	19.7
123.11715	8.4
131.08565	4.4
133.10132	41.9
135.11673	4.9
136.64034	0.9
145.10143	9.3
147.11687	80.4
159.11668	2.5
160.12509	6.7
161.13254	20.0
161.14581	1.2
161.77682	0.8
175.14832	6.0
193.22092	0.9
203.17953	100.0
204.18274	1.4
208.14542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05515	5.7
57.07067	1.4
67.05505	10.2
69.07072	22.1
70.92888	1.5
79.05493	7.4
81.07059	42.3
83.08636	1.9
84.43673	0.8
91.05479	13.2
93.07050	12.2
95.04949	0.8
95.08605	18.8
103.79473	0.8
105.07036	55.6
107.08592	13.0
109.10162	13.4
117.07008	2.8
118.07867	0.7
119.08585	47.5
121.10153	15.8
123.11701	3.9
131.08591	5.1
133.10132	40.2
135.11690	2.4
145.10127	12.1
146.10905	1.7
147.11688	75.6
148.78687	0.8
159.11702	4.3
160.12498	13.9
161.13271	22.8
175.14771	1.9
203.17963	100.0
204.18274	1.0
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
53.03947	1.7
53.47031	0.8
55.05516	12.6
57.03431	1.0
57.07078	6.8
62.42284	0.8
63.16590	0.8
65.03949	1.5
65.89890	0.8
67.05512	18.1
69.07069	12.5
69.76842	4.6
77.48066	0.9
79.05499	11.5
81.07061	43.9
83.08623	5.3
84.04481	2.9
91.05482	23.8
93.07050	22.2
95.04972	1.7
95.08609	65.7
97.10171	1.6
98.21017	2.8
103.05469	1.2
105.07036	74.3
107.08595	24.2
109.10159	29.9
111.96835	1.4
115.05389	1.3
117.07023	5.9
119.08587	86.2
121.09306	1.6
121.10148	25.2
123.11710	8.1
126.05510	2.3
128.06238	2.5
129.06993	4.1
131.08542	9.0
133.10135	65.1
135.07990	0.9
135.11702	4.7
143.08632	5.0
145.10147	8.5
147.08049	2.5
147.11693	94.9
148.12247	1.0
157.06444	1.1
157.10095	4.5
159.11708	7.7
160.12465	5.2
161.09630	2.2
161.11954	2.0
161.13274	31.2
164.98299	1.0
173.13330	2.1
174.14009	2.0
175.07581	1.7
175.14839	13.7
185.13268	11.1
188.20509	1.1
203.07033	12.8
203.14389	14.0
203.17964	100.0
204.18306	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03930	1.4
55.05510	6.6
55.96627	0.8
57.07060	1.4
60.04530	1.2
63.23006	1.1
65.03928	1.4
67.05174	1.3
67.05509	17.7
69.07070	11.9
69.78870	4.4
69.79288	2.0
79.05506	8.0
81.07062	32.1
81.50754	0.8
83.08617	4.3
91.05485	15.2
93.07053	18.3
95.08613	62.5
97.10164	1.7
98.21026	1.7
105.07039	51.0
107.08601	28.1
107.15596	0.8
109.10168	39.0
109.10925	2.0
113.88059	1.0
117.07015	1.7
119.08591	63.6
121.10153	19.5
123.11710	8.8
125.37945	0.9
129.06985	1.0
131.08569	3.8
133.10139	44.2
135.11716	4.6
143.99487	1.0
145.10152	4.5
147.11699	65.3
154.87700	1.0
159.11696	3.9
160.12477	3.2
161.13278	27.3
175.14816	9.7
203.14348	2.5
203.17969	100.0
204.18269	1.9
208.66327	1.1
210.40121	1.0
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
53.03934	0.7
55.05515	7.9
57.07079	3.2
60.04524	1.7
65.03941	0.8
67.05505	13.0
69.06714	1.3
69.07070	19.1
71.36958	1.1
79.05492	7.7
81.07059	60.5
83.08620	4.9
84.04497	1.0
87.06256	0.8
91.04953	1.2
91.05486	12.5
93.07049	14.3
95.08609	35.4
96.04541	0.7
97.02927	0.8
97.10157	1.4
98.20904	0.9
105.07034	65.2
107.08600	19.1
109.10161	25.9
109.10921	1.3
115.05411	0.8
117.07024	3.7
119.08584	47.5
121.06467	0.7
121.10143	14.9
123.11704	7.5
126.05522	0.7
129.06975	0.8
130.07829	0.6
131.08562	5.8
132.09377	0.8
133.10130	53.5
135.11702	6.6
141.24335	0.7
143.08585	1.3
144.09361	0.8
145.06531	0.7
145.10132	11.5
146.00716	0.7
146.10852	0.7
147.11690	100.0
157.10164	0.9
159.11700	4.8
160.12477	8.4
161.09636	1.8
161.13272	24.7
173.13260	1.3
174.14061	0.9
175.07579	1.3
175.14830	3.8
179.55333	0.7
203.07040	1.8
203.10645	7.4
203.14272	2.6
203.17964	84.4
204.13837	1.5
204.18315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03954	1.9
54.31464	1.1
55.05520	8.0
57.07071	3.0
65.03920	1.5
67.05511	15.5
69.06716	1.4
69.07071	17.3
69.52827	8.6
78.40388	0.9
79.05495	10.2
81.07062	61.0
83.08628	6.2
91.05487	17.1
93.07044	16.6
95.08613	44.3
95.09064	0.8
95.09230	1.6
97.10187	1.9
98.20869	2.2
105.07039	65.3
107.08595	22.5
109.09459	1.6
109.10166	26.6
115.23018	1.0
117.07036	2.9
119.08590	48.8
120.84579	1.0
121.10148	22.7
123.11724	7.2
131.08578	6.4
133.10139	60.2
135.11685	4.8
145.10153	11.3
147.11696	100.0
148.12019	1.5
157.10158	1.3
159.11699	4.4
160.12500	10.2
161.13264	26.2
174.14014	1.2
175.14824	5.5
185.13281	1.2
189.11487	1.9
203.14262	3.8
203.17969	91.3
204.13857	11.1
204.18266	1.7
210.86188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03947	1.8
55.01870	2.8
55.05516	6.4
57.03450	4.6
57.07060	1.4
59.90023	0.8
60.04529	1.7
62.10841	0.8
65.03944	0.9
67.05508	12.2
69.03426	2.2
69.07071	5.6
69.83756	4.6
71.05006	4.4
79.05499	13.2
81.07063	24.2
83.04970	3.4
83.08630	1.2
83.81852	0.8
84.04485	1.3
85.06528	1.2
91.05485	44.0
93.07046	18.4
95.04967	2.7
95.08607	17.6
97.06535	2.4
98.20986	2.1
103.05464	1.3
105.07036	37.4
107.04964	1.6
107.08604	11.9
109.06522	2.7
109.10146	7.7
111.08083	0.8
115.05444	2.3
117.07032	15.2
119.08586	100.0
120.08910	1.4
121.06538	1.4
121.10149	5.6
122.94955	0.8
123.08031	1.1
123.11719	2.5
126.05492	2.7
128.06242	6.8
129.07011	14.7
131.08575	16.8
133.06485	1.5
133.10136	20.2
135.08063	1.3
135.11702	1.9
141.06996	1.1
142.07796	3.6
143.08575	28.1
144.09361	2.5
145.10120	7.4
147.08073	5.4
147.11690	22.8
147.42766	0.8
148.08887	0.8
155.08508	1.6
156.09325	2.2
157.10135	13.5
159.11702	18.5
160.12404	1.4
161.09628	8.1
161.13255	13.2
170.10930	2.7
173.13214	1.3
174.10406	0.8
175.07533	0.9
175.11212	2.2
175.14841	13.7
177.55022	0.9
185.13268	53.9
188.08324	0.8
203.06929	4.4
203.10555	5.0
203.14331	61.9
203.17947	21.2
204.13861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.99649	1.1
55.01859	2.9
55.05513	7.0
57.03441	5.5
57.07079	1.6
57.12873	1.1
67.05508	13.2
68.15254	1.0
68.79471	1.1
69.03397	1.3
69.07084	5.3
70.77100	1.2
71.04984	3.2
78.21521	1.1
79.05493	17.2
81.07059	19.6
83.04961	3.3
85.06533	2.1
87.69862	1.1
91.05484	46.0
91.45750	1.2
93.07047	20.4
95.04964	2.2
95.08604	18.7
95.74458	1.1
97.06543	3.6
103.05492	2.0
105.07027	34.4
107.08585	9.8
109.06492	1.4
109.10167	7.4
115.05498	2.1
117.07024	21.4
119.08582	100.0
120.26183	1.4
121.06517	2.3
121.10149	7.7
123.08082	2.4
126.05508	1.6
128.06221	6.8
129.07007	15.4
131.08586	15.5
133.06439	1.4
133.10135	21.8
135.08052	2.3
141.06932	1.8
142.07770	5.3
143.08566	32.4
144.09377	3.0
145.10126	10.1
145.54443	1.4
147.08051	6.4
147.11685	23.2
155.08507	1.7
156.09370	1.9
157.10118	14.6
159.11700	21.4
161.09605	8.9
161.13284	11.8
170.10928	2.2
175.11171	3.5
175.14803	13.5
185.13264	59.0
203.06996	10.1
203.10953	2.6
203.14330	71.3
203.17926	18.0
204.14482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03952	2.4
54.21445	1.4
55.01877	2.6
55.05304	1.1
55.05521	11.6
57.03428	3.3
57.07072	1.7
61.51484	1.2
65.03947	1.8
67.05515	20.8
69.07076	9.6
70.94234	1.5
71.05003	1.3
71.57620	1.6
79.05502	19.9
81.07059	27.5
81.83714	1.1
83.04984	2.2
83.08637	5.1
84.04510	3.2
85.06536	1.5
91.05489	47.7
93.07052	27.1
95.04962	2.0
95.08615	31.5
97.02868	1.7
103.05484	1.4
105.07039	56.0
107.08598	20.9
109.06538	2.3
109.10166	14.7
111.96869	2.9
115.05463	2.7
115.63742	1.1
117.07032	15.7
119.08592	100.0
121.06445	1.3
121.10152	19.8
123.08049	1.6
123.11733	2.6
126.05520	4.2
128.06230	6.6
129.07019	12.1
129.97908	3.8
130.07755	1.5
131.08568	18.2
133.06502	2.3
133.10146	39.1
135.08028	2.0
135.11714	5.1
137.09607	1.5
141.06946	2.3
142.07782	3.0
143.08582	22.6
144.09357	2.4
145.10126	6.7
147.08044	6.7
147.11708	32.6
155.08545	1.8
157.10130	15.9
159.11719	17.4
161.09669	5.1
161.11996	1.4
161.13277	20.5
175.11201	3.8
175.14842	12.0
183.11774	1.2
185.13281	44.8
188.08318	2.4
203.06963	1.9
203.10680	12.6
203.14337	51.9
203.17972	57.6
204.08704	1.7
204.13879	2.0
220.65634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
55.01864	2.8
55.05504	5.4
57.03425	4.6
57.07064	1.3
64.70953	1.2
67.05504	13.2
69.03397	1.5
69.07061	6.8
69.79898	2.0
69.80322	4.8
71.04974	3.7
79.05499	14.5
81.07060	16.6
83.04957	1.7
89.60792	1.3
91.05482	43.5
93.07044	18.2
93.82605	1.5
95.04995	2.0
95.08614	14.9
97.06511	2.5
98.21257	2.6
103.05497	1.6
105.07030	36.0
105.50805	1.2
107.08598	10.4
107.58737	1.2
108.27924	1.5
109.06506	2.2
109.10142	3.3
111.08102	1.6
117.07027	15.5
119.08582	100.0
120.08905	1.3
121.06541	2.1
121.10199	5.8
123.08058	2.8
126.05489	1.3
128.06230	5.6
129.07001	15.0
131.08569	18.3
133.06502	1.4
133.10133	19.6
135.08044	1.5
137.09561	1.8
142.07796	4.5
143.08557	29.5
144.09377	2.1
145.10124	6.6
147.08051	7.5
147.11671	11.6
157.10138	13.5
159.11700	22.1
161.09618	6.8
161.13280	8.1
170.10905	2.3
175.11244	4.0
175.14812	15.4
185.13261	62.4
203.07066	1.7
203.14328	68.0
203.17871	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	203.1431
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.03944	1.7
53.99649	1.1
55.01859	2.9
55.05513	7.0
57.03441	5.5
57.07079	1.6
57.12873	1.1
67.05508	13.2
68.15254	1.0
68.79471	1.1
69.03397	1.3
69.07084	5.3
70.77100	1.2
71.04984	3.2
78.21521	1.1
79.05493	17.2
81.07059	19.6
83.04961	3.3
85.06533	2.1
87.69862	1.1
91.05484	46.0
91.45750	1.2
93.07047	20.4
95.04964	2.2
95.08604	18.7
95.74458	1.1
97.06543	3.6
103.05492	2.0
105.07027	34.4
107.08585	9.8
109.06492	1.4
109.10167	7.4
115.05498	2.1
117.07024	21.4
119.08582	100.0
120.26183	1.4
121.06517	2.3
121.10149	7.7
123.08082	2.4
126.05508	1.6
128.06221	6.8
129.07007	15.4
131.08586	15.5
133.06439	1.4
133.10135	21.8
135.08052	2.3
141.06932	1.8
142.07770	5.3
143.08566	32.4
144.09377	3.0
145.10126	10.1
145.54443	1.4
147.08051	6.4
147.11685	23.2
155.08507	1.7
156.09370	1.9
157.10118	14.6
159.11700	21.4
161.09605	8.9
161.13284	11.8
170.10928	2.2
175.11171	3.5
175.14803	13.5
185.13264	59.0
203.06996	10.1
203.10953	2.6
203.14330	71.3
203.17926	18.0
204.14482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01872	2.4
55.05513	5.1
57.03437	4.2
57.07077	0.9
57.52863	0.8
60.04526	1.3
67.05508	13.1
69.03407	1.4
69.07065	6.4
70.75305	2.3
71.04991	3.9
75.85550	0.7
79.05497	13.4
81.07059	24.7
83.04968	2.6
83.08607	1.2
83.92564	0.7
85.06544	1.4
91.05486	40.5
93.07047	17.6
95.04964	3.0
95.08611	19.4
96.04492	1.3
97.06522	2.6
98.21167	0.8
103.05477	1.8
105.07034	37.2
107.08603	11.3
109.06506	2.3
109.10157	6.6
115.05454	2.3
116.06171	0.9
117.07023	16.9
119.08582	100.0
120.08892	0.9
121.06502	2.5
121.10151	7.4
123.08094	1.0
123.11697	1.0
124.96709	1.0
126.05508	2.7
128.06232	7.0
129.07002	13.3
130.07774	1.8
131.08580	16.3
133.06483	1.4
133.10133	22.9
135.08038	1.7
135.11681	1.6
137.09521	1.0
141.07022	1.1
142.07779	3.4
143.08566	30.1
144.09329	1.8
145.10146	6.5
147.08064	6.4
147.11691	20.6
149.09608	1.2
155.08568	1.5
156.09375	2.2
157.08943	1.1
157.10143	15.5
159.11694	19.5
161.09634	8.6
161.13278	12.0
170.10951	2.3
173.13234	1.6
174.10385	0.8
175.07506	0.9
175.11148	3.4
175.14830	12.7
183.11723	1.5
185.13266	53.5
203.07031	3.1
203.10638	3.2
203.14325	55.9
203.17952	21.4
204.08699	1.0
204.14142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74130	0.4
57.02290	0.6
57.03386	1.7
61.02882	0.6
69.03391	1.4
70.81569	0.9
70.81910	0.8
73.02921	2.8
75.20762	0.5
80.08492	0.4
81.03415	0.9
82.01446	6.1
85.02872	0.5
86.03650	1.2
97.02888	4.5
98.20950	0.5
98.98434	0.7
99.04391	0.5
100.02487	14.1
101.00872	3.1
102.02381	0.7
109.02860	0.8
111.02925	0.7
115.02415	0.6
118.03526	4.6
119.01924	9.7
120.01983	1.6
120.95353	2.4
127.03862	0.7
131.01888	1.5
137.02901	2.2
138.96417	12.7
139.02379	0.8
141.03928	1.2
142.03467	0.9
143.01894	1.0
145.03439	1.5
147.03986	0.8
147.96944	0.8
156.97481	83.8
157.03471	2.1
157.49519	0.9
157.97562	1.9
161.02957	2.2
161.98018	5.2
165.98038	0.6
168.48320	3.0
168.98378	0.8
170.98981	0.8
174.98540	61.0
175.04506	0.9
175.98740	0.6
178.50072	1.3
179.04018	1.2
179.99098	100.0
180.99210	1.6
183.05070	2.1
185.03134	1.1
189.00238	0.6
192.05521	2.3
193.03677	0.5
194.00726	0.6
198.00211	64.7
199.00185	0.9
201.06061	1.2
203.00679	2.3
203.03983	1.2
212.01762	0.9
214.96715	0.8
221.01875	0.8
221.04973	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40756	2.1
57.68128	2.0
67.08216	2.6
71.21402	3.6
73.51933	2.1
76.54901	2.4
98.21199	3.3
101.00883	26.4
114.95669	6.9
118.96815	2.6
119.01925	100.0
120.01997	3.2
124.02453	3.8
132.96698	4.0
137.02968	35.2
142.03505	34.8
149.01460	2.3
160.03369	2.2
160.04568	13.4
161.02963	20.6
178.98146	2.3
179.04018	38.1
184.04587	3.9
193.50560	2.2
195.49181	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82288	3.7
56.96552	3.7
57.49659	3.3
59.72511	3.4
70.03667	16.7
82.01453	11.5
85.56490	3.3
87.05368	3.2
98.20878	5.9
98.97593	6.7
100.02488	47.2
101.00904	26.0
118.03513	19.4
119.01923	100.0
124.02452	6.6
137.02945	24.1
138.96411	12.8
142.03506	39.2
156.97478	87.9
158.97264	3.7
160.04572	9.9
161.02974	21.2
161.98012	6.2
164.96457	4.0
166.99188	6.1
174.98563	62.3
176.98318	4.4
178.01077	3.9
178.49992	4.1
179.04022	32.0
179.99124	94.0
198.00389	44.8
199.50096	10.2
214.96545	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05501	2.3
57.07077	5.7
57.99526	0.7
61.32043	0.7
67.05504	4.0
69.07069	3.3
69.91817	2.4
69.92223	1.2
71.08637	1.0
71.56823	0.6
77.03951	0.6
79.05489	4.3
81.06725	0.6
81.07064	7.4
91.05471	8.0
93.07051	7.3
95.08610	10.0
98.20899	1.3
98.21433	0.9
103.05425	1.2
105.07035	16.9
107.08591	11.8
109.06526	1.2
109.10141	2.8
115.05424	1.7
117.07025	12.3
118.96790	2.2
119.08591	12.2
121.10148	4.4
127.03899	0.9
128.06172	1.8
129.06995	4.9
130.07803	6.0
130.50793	0.6
131.08572	39.4
133.10135	8.7
141.07076	0.7
142.07759	1.8
143.08554	7.8
144.09355	7.3
145.10124	58.8
146.10878	1.4
154.35454	0.7
155.08511	1.0
157.10136	8.8
158.07278	1.9
158.10895	3.7
159.11699	75.3
160.11981	1.3
171.11653	5.3
172.12442	4.0
173.09618	1.9
173.13269	16.2
177.98068	2.3
183.11714	1.7
186.14027	5.7
201.09157	1.7
201.12756	6.9
201.16389	100.0
202.16721	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05513	1.8
57.07075	5.4
67.05492	3.5
69.07057	3.4
69.99477	1.5
69.99900	2.9
77.08697	0.8
79.05476	5.0
81.07060	8.6
91.05479	8.5
93.07038	7.4
95.08612	10.1
98.20688	0.9
98.74918	0.8
105.06388	1.2
105.07037	16.8
105.07748	1.0
107.08603	10.8
109.10138	2.9
109.59412	0.8
115.05428	1.7
117.07018	13.2
118.96779	1.5
119.08583	12.2
121.10145	4.3
128.06194	1.5
129.07040	4.9
130.07817	4.6
131.08568	40.7
133.10129	11.4
133.99086	0.9
142.07727	1.2
143.08551	5.2
144.09349	6.4
145.10126	57.0
146.10892	1.9
147.45898	0.8
157.10153	8.3
158.10866	4.0
159.11700	75.7
160.12082	0.9
171.11639	5.8
172.12503	4.4
173.13284	14.9
186.13997	4.2
201.09119	1.7
201.12784	4.3
201.16389	100.0
202.16701	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03940	1.0
55.05504	2.6
57.07073	3.1
67.05516	4.0
69.07076	4.7
69.84988	1.7
69.85400	1.9
70.06584	0.6
71.08648	0.8
71.46045	0.5
79.05494	4.9
79.30817	0.6
80.53376	0.7
81.07060	8.0
83.08640	0.7
88.07642	0.7
91.05487	9.2
93.07036	6.2
95.04984	1.2
95.08128	0.7
95.08620	7.9
98.21041	1.7
103.05460	0.7
105.06377	1.1
105.07034	15.5
107.08593	10.0
109.10146	2.6
115.05440	2.2
116.06227	0.9
117.07028	10.3
119.08592	10.6
121.10152	4.6
127.03889	0.6
128.06223	1.8
129.07004	5.3
130.07785	6.2
131.08574	52.2
133.10143	9.6
141.07001	2.1
142.07747	1.2
143.08557	7.3
144.09328	5.2
145.06456	2.0
145.10132	51.9
146.10875	1.2
147.11676	1.2
155.08540	1.0
157.10138	9.8
158.07274	3.5
158.10925	3.7
159.08057	1.9
159.11697	55.2
160.12086	0.7
171.11703	4.7
172.12462	6.3
173.05954	1.2
173.09702	3.0
173.13271	17.4
183.08095	0.6
183.11678	1.1
186.06683	1.0
186.10425	1.3
186.14047	5.5
201.05478	2.0
201.09137	8.4
201.12822	8.2
201.16393	100.0
202.16595	1.5
222.43895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.63262	0.8
52.69112	0.7
53.03943	0.8
54.72092	0.7
55.05508	1.5
57.07055	1.0
64.15974	0.7
67.05511	3.9
69.03412	2.9
69.07059	2.0
70.95465	1.3
79.05505	4.1
81.07037	2.3
91.05473	8.7
93.07040	5.2
95.04969	1.7
95.08585	2.4
98.21323	1.2
101.06042	0.7
103.05477	0.8
105.07027	10.6
107.08579	2.2
109.06513	1.0
109.10218	1.1
113.98689	0.7
114.05529	0.9
115.05453	1.8
116.06236	1.6
117.07016	6.1
119.08588	17.8
121.06487	2.0
121.10164	1.0
124.74294	0.7
128.06241	4.1
129.07013	7.3
130.07753	4.5
131.08575	36.0
133.10135	33.0
141.07007	2.3
142.07823	3.9
143.08565	30.5
144.05724	1.4
144.09366	8.1
145.06509	5.0
145.10124	31.4
146.07291	0.9
153.06999	1.5
155.08565	3.7
156.09296	2.4
157.06506	1.3
157.10097	4.5
158.07332	4.6
158.10912	41.0
159.08058	11.2
159.11697	14.0
160.08826	1.2
161.09718	1.4
168.09357	3.2
171.08041	9.1
171.11699	2.4
172.08833	13.4
173.09662	16.1
173.13264	100.0
183.11714	3.6
185.09673	1.5
186.10397	41.1
201.05441	3.4
201.09076	3.3
201.12750	85.8
201.16373	8.6
214.20941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	1.0
56.96568	18.4
57.03434	1.4
69.03412	1.4
69.85070	3.5
69.85480	2.1
73.02908	3.2
82.06583	1.6
85.02895	1.4
87.29725	1.1
89.05759	1.1
97.02894	1.7
98.21056	3.7
98.97587	100.0
100.02464	1.6
101.00874	2.3
108.04485	2.3
108.08108	1.5
116.98625	67.8
118.03483	1.3
119.01903	7.1
121.65328	1.0
126.98755	1.4
128.98616	1.4
131.01897	6.4
133.03415	2.0
134.99664	30.2
136.03947	1.5
136.07565	5.5
140.00154	2.1
144.99826	3.1
146.99661	1.8
149.01161	1.6
149.02963	2.6
153.00713	3.7
154.03467	4.3
154.12273	3.2
158.01216	5.8
158.99646	4.6
164.03412	1.4
168.01434	2.8
172.04546	1.9
175.98563	1.9
176.02267	1.7
177.00703	5.0
177.02423	7.0
182.03073	2.6
182.04491	10.1
195.01773	2.7
195.03458	2.0
199.18846	3.0
200.04034	7.8
200.05707	2.5
200.12843	3.1
201.02451	1.5
218.05162	1.8
219.03561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
57.07079	1.1
58.44693	0.5
67.05499	1.7
69.07068	0.6
77.82018	0.6
79.05497	1.3
81.07051	1.3
91.05478	6.2
93.07032	1.4
95.04960	0.8
95.08585	1.2
98.21121	3.5
103.05478	1.9
105.07036	19.9
107.08582	2.1
115.05453	9.2
116.06248	0.7
117.07022	13.4
118.96774	1.1
119.08602	1.6
124.58738	0.6
127.03903	0.7
127.05487	0.7
128.05258	1.0
128.06223	23.7
129.07005	13.1
130.07791	46.6
131.04930	0.9
131.08614	4.4
133.10110	0.9
141.07005	2.7
142.07799	2.3
143.08568	61.9
144.05801	0.6
144.09146	1.0
145.06444	2.8
145.10127	73.3
146.10446	0.9
147.07994	0.8
152.06151	0.8
153.06985	5.0
154.07777	3.0
155.06049	2.1
155.08556	22.2
157.06509	6.7
157.10150	0.7
158.07277	100.0
159.07893	2.7
159.11696	5.4
164.25195	0.5
171.04408	3.3
171.08093	3.9
172.08815	1.6
173.09628	76.5
173.13228	2.0
174.09979	1.6
183.09232	9.0
185.05922	0.9
186.06776	20.1
189.09094	3.0
201.09117	39.6
201.12805	2.1
201.16391	7.5
202.09494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
70.63499	0.6
79.90105	0.2
98.20993	0.4
98.97607	1.4
101.00896	1.5
116.98612	0.7
119.01927	3.7
120.95400	0.9
121.01694	0.3
137.02928	0.6
138.96405	8.5
154.49725	0.3
156.97478	94.0
157.97456	1.5
165.50029	0.2
166.99055	0.3
170.99048	0.8
172.95244	0.5
174.98540	100.0
175.98619	1.7
176.05896	0.4
176.98938	0.6
179.99068	1.9
180.97481	0.8
180.99086	0.5
189.00075	1.0
198.00177	1.2
198.18515	1.0
198.98540	15.5
199.00134	0.6
199.18832	0.6
199.98648	0.3
213.00012	0.3
216.99596	41.8
217.99687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0763
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
53.03946	1.1
55.01873	0.9
55.05508	2.8
55.53407	0.4
56.96566	12.8
57.03437	3.0
57.07068	0.9
59.05000	0.5
61.02919	2.4
62.02370	0.4
67.05495	1.1
69.03430	4.5
69.07070	1.7
69.08839	0.4
70.06602	0.7
70.98112	0.8
71.04997	1.2
71.57207	0.5
71.95256	1.6
72.08173	0.6
72.96064	0.8
73.02543	0.7
73.02917	6.8
73.45569	0.4
79.05489	1.7
80.05036	0.6
81.03423	2.4
82.01448	0.7
82.06585	0.6
83.04979	0.7
83.08614	1.7
84.04475	0.5
84.96035	1.0
85.02911	6.3
87.04456	0.6
88.99150	0.4
89.79070	0.4
93.07050	0.4
96.08118	1.6
97.02895	3.8
97.06532	0.5
97.10163	0.9
98.21094	0.7
98.97589	7.6
99.04414	0.6
100.02500	2.2
101.00904	2.1
102.00954	1.1
102.02283	0.7
102.52494	0.5
103.02400	1.0
106.06559	2.0
107.08548	0.4
109.02863	1.1
110.01306	0.6
110.07166	1.0
110.97590	1.7
111.02938	0.5
112.99134	0.9
113.00906	0.7
113.01740	0.8
114.00928	0.5
115.02385	1.0
116.97249	0.8
116.98604	3.1
117.02097	0.9
118.03541	1.1
119.01900	5.8
120.02016	2.7
120.03382	0.5
121.01654	1.1
122.06059	0.5
123.06821	2.7
124.07581	6.9
124.95462	2.6
126.02554	0.5
127.03912	1.4
128.02321	0.8
128.98602	2.5
131.00177	0.8
131.01826	2.3
131.03751	0.9
133.01611	1.2
133.03403	1.3
134.06017	57.0
134.99605	1.2
135.06348	0.8
136.07593	4.3
137.02936	0.6
138.05499	4.9
138.53528	0.5
139.01447	0.5
140.02339	0.7
142.03795	0.5
142.96538	5.5
143.01889	0.9
144.02043	0.6
144.53535	0.5
145.01646	1.1
145.03438	1.1
146.02301	0.7
146.03577	0.5
146.99637	1.8
147.01308	0.5
147.03168	0.7
148.03883	1.0
149.01199	0.7
150.05432	2.5
151.04361	0.7
151.06303	3.8
152.07069	83.1
153.07388	0.7
154.01898	0.5
154.03630	0.5
156.02013	0.9
156.05139	0.5
157.01648	1.8
157.03477	0.7
158.99673	1.5
159.03162	0.6
160.97624	3.5
161.01276	0.7
161.02962	2.4
162.03146	1.2
162.05511	23.7
163.02730	2.0
163.04402	0.6
168.06485	0.8
169.02553	0.6
170.03021	1.3
170.99692	0.7
171.68329	0.4
173.01350	0.5
173.02916	1.3
174.03157	1.2
174.99196	3.1
175.02736	2.7
175.04446	1.0
177.00745	1.1
180.06557	100.0
181.06876	1.0
185.02910	0.6
186.03127	0.6
187.02760	0.8
188.23421	0.6
189.00716	1.1
193.00191	4.3
193.03801	0.7
197.02998	0.4
198.04483	1.5
198.07622	48.3
198.11308	1.4
198.18532	32.6
200.05594	0.5
201.00693	0.6
204.04036	0.6
211.01233	0.8
219.01820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03956	1.5
54.96469	1.2
55.01890	3.7
55.05264	2.3
55.05516	27.2
57.03437	4.4
57.07070	3.8
65.03923	1.7
67.05508	39.8
69.03416	2.0
69.07073	28.5
69.45943	10.8
71.05000	16.4
73.06592	1.4
79.05494	21.5
80.49988	1.3
81.07060	87.6
83.04984	7.1
83.08623	21.6
85.06550	16.2
91.05492	23.3
93.07049	29.3
95.04991	3.1
95.08614	100.0
97.06538	36.5
97.10179	8.5
98.20744	2.7
98.21366	4.3
99.08100	4.5
105.07044	26.5
107.08583	12.8
109.06530	5.2
109.10180	6.8
111.08100	8.5
111.08739	1.5
111.98476	1.4
114.08949	1.5
115.07590	1.8
117.06918	1.9
119.08592	41.2
121.10162	10.9
123.08089	8.7
131.08641	1.6
132.95857	3.0
133.10139	28.0
135.11702	24.3
137.09619	3.3
137.13268	28.3
138.92520	1.3
141.09210	1.4
150.96877	4.3
161.13271	69.8
173.98552	2.7
179.10767	1.7
179.14311	34.7
179.15825	2.7
182.10956	1.5
197.11684	1.6
197.15375	12.6
198.18590	4.1
207.30235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.87152	0.6
53.03929	1.6
55.01848	1.5
55.05502	3.5
57.07063	1.4
57.89579	0.6
59.04992	2.7
65.03941	1.4
67.05495	6.4
69.03423	2.0
69.07070	2.1
70.95853	2.7
71.04976	0.9
72.93807	1.0
78.14977	0.6
79.05498	5.3
81.03420	1.1
81.07063	8.0
83.04967	1.3
83.08642	1.0
85.02857	0.6
85.06541	1.4
86.70413	0.6
91.05483	19.3
93.07047	24.3
95.04975	8.0
95.08611	4.1
97.06533	1.3
105.03395	1.6
105.07034	28.4
107.04921	1.3
107.08598	65.0
108.08846	0.7
109.06530	7.8
109.10153	6.6
111.04440	1.1
111.08100	1.2
111.98449	2.4
113.05985	0.9
117.07059	1.2
119.04939	2.9
119.08579	8.5
121.06500	6.0
121.10155	1.8
123.04437	3.8
123.08101	1.4
123.11714	2.9
125.05896	0.9
129.99443	1.1
131.08553	2.9
132.95827	4.5
133.10135	69.7
135.08055	1.3
135.11696	53.9
136.11990	1.2
137.05977	7.3
137.09604	5.3
143.08611	1.6
146.07272	1.6
150.96909	7.5
151.03903	1.0
151.07539	0.8
151.11176	6.5
155.97392	3.5
161.09618	32.9
165.05453	1.0
167.10727	1.0
173.98509	5.3
177.77245	0.6
179.10674	100.0
180.11020	1.7
197.11734	76.7
198.12024	1.4
198.18575	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03938	1.4
55.01878	1.1
55.05510	2.0
57.03415	0.6
60.22158	0.6
61.02913	0.8
65.03949	0.9
67.05499	2.7
68.12958	0.5
69.03429	2.5
69.07080	0.8
70.55988	1.9
70.56342	0.6
70.95869	3.0
71.04974	1.0
72.93793	1.2
73.02917	1.5
79.05499	8.5
81.07055	8.0
81.16734	0.6
83.04993	0.9
83.08662	0.9
87.04470	0.8
90.94836	0.7
91.05489	15.2
91.06063	0.8
93.07048	18.0
95.04974	3.4
95.08617	4.2
97.06518	1.7
98.21102	1.0
103.05499	1.0
105.03415	0.8
105.07036	27.9
107.04964	1.1
107.08599	100.0
108.08923	1.0
109.06525	7.7
109.10142	4.6
111.98483	2.1
115.05546	0.7
117.07030	1.2
118.07839	0.9
119.04950	2.6
119.06066	0.7
119.08588	14.9
121.06506	2.0
121.10153	16.2
123.04408	0.8
123.08064	2.8
123.11716	3.9
125.06012	2.1
125.09613	1.1
128.06270	1.3
131.08580	3.4
132.05655	0.7
132.95866	6.0
133.02847	1.7
133.06488	1.2
133.10138	63.4
135.08046	0.7
135.11726	3.1
137.05992	7.8
137.09590	2.7
139.07526	3.3
143.08562	2.6
146.07251	0.7
149.09641	11.1
150.96909	6.3
151.03900	2.3
151.07568	3.4
151.11198	19.7
155.97455	2.6
161.09633	15.7
165.05443	2.0
167.10693	27.2
173.98499	4.7
179.10681	37.9
191.22603	0.7
197.11745	53.3
198.18541	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.20880	0.9
55.01873	1.3
55.05493	3.7
55.58989	0.8
57.07061	1.9
61.02909	1.6
67.05505	5.5
67.41534	0.9
68.99778	3.4
69.03421	2.7
69.07060	2.8
70.87861	1.1
70.88199	1.8
70.95869	10.0
71.04962	1.2
72.93781	4.2
73.02913	2.8
77.03914	0.9
79.05492	9.7
81.03419	2.0
81.07059	7.6
83.04980	1.2
83.08614	1.4
87.50530	0.8
88.55943	0.8
88.96912	1.8
90.94801	2.4
91.05479	18.2
93.07051	20.0
95.04980	4.7
95.08613	5.9
97.06522	2.7
97.07213	0.8
98.21078	1.0
105.03394	2.8
105.07031	28.0
107.04943	1.4
107.08598	100.0
109.06518	7.6
109.10135	4.4
110.46020	0.9
111.04411	1.0
111.08079	1.1
111.67174	1.0
111.98483	7.9
113.96375	1.4
119.04944	3.0
119.08589	14.1
120.14053	0.8
121.06496	3.3
121.10150	15.1
123.04388	1.5
123.08051	2.9
123.11678	3.0
125.06018	2.7
125.09653	2.5
129.99522	4.0
131.08582	2.8
132.05582	1.1
132.95854	12.4
133.02829	2.5
133.06526	1.7
133.10138	55.6
135.11693	2.6
137.05966	9.3
137.09618	3.7
139.07558	4.8
141.06920	1.5
143.08562	2.3
146.07233	1.0
147.97447	1.0
149.09625	10.1
150.96906	22.9
151.03926	4.9
151.07545	4.1
151.11189	18.6
153.05504	1.1
153.09090	2.0
155.97432	10.3
161.09622	18.3
165.05499	1.7
167.08511	1.2
167.10686	27.9
167.23372	0.9
168.11063	1.2
173.98492	13.6
179.07155	1.3
179.10680	40.3
197.06052	2.6
197.11734	52.3
197.13123	1.9
198.18527	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.05292	0.9
50.16153	0.8
52.37373	0.9
52.43909	0.8
53.03949	5.2
55.01868	1.3
55.05512	5.1
57.03446	1.4
57.07061	1.6
59.04980	2.3
65.03928	1.0
67.05504	6.9
68.99788	3.3
69.03442	0.9
69.07060	2.7
70.95866	9.0
71.17410	1.7
72.93777	4.2
73.02911	1.1
77.03938	2.2
79.05486	11.4
81.03417	1.2
81.07061	10.7
81.13811	1.0
83.04974	1.7
85.06546	1.5
85.10139	1.4
88.96907	1.4
90.94811	1.0
91.05477	18.9
91.35562	0.9
93.07044	25.0
95.04964	15.2
95.08614	2.2
97.06509	2.7
98.21181	1.4
99.04452	1.9
105.03391	78.0
105.07023	32.0
107.04945	1.9
107.08594	67.2
109.06522	12.2
109.10135	8.2
111.04428	1.4
111.98494	5.7
113.96426	1.2
117.06996	1.4
119.04958	2.4
119.08588	10.1
120.09386	1.5
121.06503	5.9
121.10107	1.3
123.04458	6.1
123.11699	3.1
125.05999	10.3
125.09633	1.1
127.03917	3.8
129.99522	3.2
131.08578	2.5
132.95827	11.8
133.02852	1.4
133.10129	74.8
135.08026	1.4
135.11690	57.5
137.05977	18.5
137.09644	4.9
140.80098	1.1
141.05440	1.6
143.08528	1.7
145.11177	0.9
146.07240	1.7
150.96880	17.3
151.03888	2.5
151.07555	1.2
151.11179	7.0
153.09134	1.7
155.97452	9.4
161.09624	37.7
165.05463	2.7
173.98488	11.5
179.10669	100.0
184.97369	1.0
197.08067	2.3
197.11728	67.1
198.11937	1.1
198.18523	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05292	0.9
50.16153	0.8
52.37373	0.9
52.43909	0.8
53.03949	5.2
55.01868	1.3
55.05512	5.1
57.03446	1.4
57.07061	1.6
59.04980	2.3
65.03928	1.0
67.05504	6.9
68.99788	3.3
69.03442	0.9
69.07060	2.7
70.95866	9.0
71.17410	1.7
72.93777	4.2
73.02911	1.1
77.03938	2.2
79.05486	11.4
81.03417	1.2
81.07061	10.7
81.13811	1.0
83.04974	1.7
85.06546	1.5
85.10139	1.4
88.96907	1.4
90.94811	1.0
91.05477	18.9
91.35562	0.9
93.07044	25.0
95.04964	15.2
95.08614	2.2
97.06509	2.7
98.21181	1.4
99.04452	1.9
105.03391	78.0
105.07023	32.0
107.04945	1.9
107.08594	67.2
109.06522	12.2
109.10135	8.2
111.04428	1.4
111.98494	5.7
113.96426	1.2
117.06996	1.4
119.04958	2.4
119.08588	10.1
120.09386	1.5
121.06503	5.9
121.10107	1.3
123.04458	6.1
123.11699	3.1
125.05999	10.3
125.09633	1.1
127.03917	3.8
129.99522	3.2
131.08578	2.5
132.95827	11.8
133.02852	1.4
133.10129	74.8
135.08026	1.4
135.11690	57.5
137.05977	18.5
137.09644	4.9
140.80098	1.1
141.05440	1.6
143.08528	1.7
145.11177	0.9
146.07240	1.7
150.96880	17.3
151.03888	2.5
151.07555	1.2
151.11179	7.0
153.09134	1.7
155.97452	9.4
161.09624	37.7
165.05463	2.7
173.98488	11.5
179.10669	100.0
184.97369	1.0
197.08067	2.3
197.11728	67.1
198.11937	1.1
198.18523	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	197.0809
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
50.10867	0.6
51.02374	1.3
53.03952	4.5
55.01870	2.6
55.05501	1.7
57.07062	1.1
65.03938	3.4
66.04723	0.9
67.05492	3.0
69.03423	4.4
69.07061	1.6
69.34579	2.9
69.35006	3.0
70.95866	7.0
71.04987	1.0
71.08610	0.6
72.93794	3.3
73.68970	0.6
76.62309	0.6
77.03934	2.5
79.05496	22.6
81.03414	1.1
81.07059	21.8
83.04973	1.4
83.08607	0.8
85.06547	0.9
88.96903	0.9
91.05484	36.1
93.07050	1.7
94.04184	10.1
94.10427	0.7
95.04964	8.1
95.08614	7.0
95.88959	0.7
97.06544	0.7
98.20951	2.6
105.03412	7.8
105.04494	1.1
105.07024	2.2
107.04971	7.3
107.08581	5.2
109.06522	73.5
109.10157	2.7
110.06846	0.8
111.04440	1.3
111.98488	7.3
113.96412	1.4
116.12337	0.7
119.04939	6.8
119.08601	1.2
121.10130	1.6
122.03658	3.6
123.04432	2.7
123.08031	1.2
123.11737	0.8
125.06007	2.1
127.03902	0.7
129.99515	2.9
132.95834	10.3
133.02859	18.0
133.10161	3.9
135.04427	2.6
135.11682	1.6
137.05984	100.0
138.06288	1.0
139.03870	0.8
147.04459	0.8
150.96895	16.7
151.03899	1.2
151.07556	1.1
153.05467	3.2
154.06271	2.4
155.08611	0.8
155.97415	9.1
161.09706	1.3
165.05486	39.5
167.07104	1.4
169.08713	0.9
169.10094	1.8
173.98505	12.4
179.10664	4.2
182.10847	0.8
197.06189	1.3
197.08105	10.8
197.09781	1.6
197.11754	4.3
197.13315	1.5
198.18559	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	197.0809
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
51.02370	1.0
53.03720	0.6
53.03945	3.8
55.01866	3.0
55.05493	2.1
59.32401	0.8
65.03932	2.7
66.04729	1.2
67.05494	2.6
68.61038	0.7
69.03431	3.6
69.55092	3.5
70.95859	2.8
71.04983	1.5
72.93799	1.5
77.03937	0.8
79.05495	21.1
81.03393	0.7
81.07059	21.1
83.04990	1.1
83.08615	0.8
90.17348	0.6
91.05484	29.1
93.07043	1.5
94.04194	7.3
95.00937	0.7
95.04976	8.1
95.08614	1.6
97.06533	1.4
105.03407	7.1
105.07047	2.1
107.04974	7.1
107.08585	5.1
108.16970	0.8
109.06525	64.4
109.10144	3.3
110.06885	0.7
111.04457	0.7
111.98490	2.5
119.04939	5.3
119.08583	1.3
121.06538	0.8
122.03635	3.9
123.04434	2.5
123.08089	1.1
123.11710	0.8
125.06007	3.6
127.03844	0.8
129.99527	1.5
132.95833	4.2
133.02859	16.3
133.10150	3.6
135.04419	2.9
135.08125	0.7
135.11732	1.3
137.05983	100.0
138.06297	0.7
139.03932	0.7
147.04436	1.4
150.96896	8.2
151.03969	1.5
151.07594	1.1
151.11185	1.1
153.05487	2.8
154.06248	2.1
155.07018	1.1
155.97452	3.9
161.09651	1.8
165.05484	33.5
167.07047	2.1
169.08626	1.4
169.99599	0.7
173.98503	4.3
179.03328	0.8
179.07002	0.7
179.10681	3.5
197.08086	10.7
197.09746	1.0
197.11734	3.4
197.13306	1.2
198.18489	3.5
204.87515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03947	5.1
55.01871	0.4
55.05510	0.5
57.03447	1.4
67.05504	0.4
70.95864	2.0
71.27216	0.3
72.93815	0.7
77.03906	1.4
79.05490	4.1
81.03426	0.7
81.07045	0.9
83.04969	0.3
91.05492	1.7
93.07050	1.3
95.04975	6.1
98.20995	0.4
105.03397	100.0
105.06998	1.6
106.03756	0.6
107.08591	4.0
109.06525	2.1
109.10178	0.5
111.98447	2.0
113.96424	0.4
119.04948	0.3
119.08585	0.4
121.06502	0.4
123.04450	3.6
123.08083	0.3
125.06001	0.3
129.99529	0.3
131.35634	0.3
132.95845	3.0
133.02820	0.7
133.10127	3.6
135.11719	2.4
137.05989	3.3
137.09595	0.3
141.07001	0.3
143.21765	0.3
150.96896	5.1
151.03914	0.3
151.11186	0.4
155.97426	2.3
161.09636	1.8
165.05495	1.3
173.98505	3.4
179.07060	3.8
179.10657	5.6
192.04596	0.3
197.11711	2.8
198.18634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.54563	0.3
53.03938	1.1
54.01131	0.4
55.01864	2.3
55.05507	0.6
58.74931	0.3
64.49716	0.3
65.03959	2.0
67.05509	1.7
69.07062	0.6
70.06683	0.3
70.07006	1.6
70.95863	4.1
71.01337	0.3
72.93793	1.8
73.02919	20.1
79.05485	0.9
81.07056	0.9
85.02872	0.4
88.96917	0.6
90.94801	0.4
91.05485	4.2
93.03413	1.1
93.07030	0.7
95.04977	1.6
95.08583	0.7
98.21075	0.9
105.03397	0.8
105.07023	1.0
107.08595	0.6
108.02062	2.3
109.06530	1.8
109.10164	0.7
110.03658	2.8
111.04438	1.8
111.98490	3.1
112.01606	0.4
113.96422	0.7
119.04939	2.0
123.04433	0.7
123.08051	0.5
125.05998	15.1
129.99495	2.1
132.95839	6.7
133.02859	2.0
133.10156	1.2
135.11703	0.6
136.01555	0.5
137.05980	4.8
137.09619	0.7
141.05479	4.1
147.04343	0.4
149.05980	2.8
150.96904	8.3
151.03912	100.0
151.05009	8.0
151.07431	3.2
152.04248	1.0
155.97438	4.1
161.09587	0.5
165.05510	1.6
173.98499	6.6
179.07036	19.1
179.10483	1.8
186.09129	0.3
197.06277	0.4
197.08087	6.4
197.09782	0.6
197.11754	1.0
198.18439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.00319	2.2
53.03934	4.6
55.01868	9.3
55.05511	27.4
57.03433	2.9
57.07079	7.9
59.05009	2.6
65.03933	2.8
67.05209	2.0
67.05504	19.2
69.03437	14.3
69.07069	77.3
69.25313	3.8
69.25711	16.3
71.04998	10.3
78.04707	2.4
79.05059	1.9
79.05496	30.5
80.90038	1.4
81.03423	3.1
81.07060	54.2
82.01069	1.5
83.04968	6.4
83.08625	23.1
83.41451	1.4
85.02892	3.3
85.06541	12.4
89.03894	9.3
91.05483	18.3
93.07045	43.4
95.04968	7.4
95.08611	82.8
96.28905	1.6
97.06533	4.6
97.10172	16.1
98.21117	8.7
99.08094	70.3
103.05466	5.0
105.07022	14.0
107.04959	54.0
107.08598	68.9
109.02911	1.6
109.06508	3.9
109.10168	20.2
109.98947	2.1
111.04433	3.0
111.07368	2.0
111.08091	31.2
111.11711	8.1
113.09602	9.0
113.97994	1.6
115.05441	4.2
116.98624	1.5
117.03387	16.7
119.08578	4.2
121.02853	5.2
121.06530	11.1
121.10147	97.8
123.04422	4.0
123.08052	4.6
123.11734	8.0
124.05244	1.7
125.05938	3.0
125.08765	2.7
125.09639	39.3
131.04893	2.4
131.08574	2.0
133.02872	4.0
133.10182	2.3
134.03593	2.8
135.04443	10.4
135.08096	12.3
135.11688	29.8
137.05962	2.8
137.09639	2.4
137.13263	31.8
138.06633	6.3
139.03914	3.8
139.07570	2.6
139.11171	4.8
145.02856	26.5
148.97305	3.6
149.02455	2.3
149.05994	23.6
149.09648	4.4
149.13286	10.5
151.03946	1.8
151.07465	3.9
156.45766	1.7
159.11723	2.0
163.03928	13.7
163.07582	14.4
165.05486	2.1
165.06915	1.7
167.03433	5.0
167.07083	15.5
177.01942	1.7
177.05484	49.9
177.07042	2.4
177.09001	2.1
177.16388	100.0
180.07829	3.0
195.02875	25.8
195.06548	24.3
195.08591	9.2
195.10228	16.4
195.11841	3.0
195.13829	7.2
195.15797	2.5
195.17435	26.1
212.38989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03941	4.2
53.17200	1.4
55.01868	7.0
55.05513	27.1
57.03421	1.9
57.07085	7.6
59.04998	2.5
61.70086	1.3
65.03926	3.9
67.05501	12.7
67.65704	1.3
68.11896	1.2
69.03434	16.8
69.07070	49.0
69.07452	2.6
71.04986	5.5
71.57341	2.0
72.81944	1.3
75.63945	1.3
79.05494	22.4
81.07056	51.3
81.07516	3.2
83.00831	1.6
83.04977	4.5
83.08624	22.3
83.91445	1.4
85.06538	8.5
89.03919	8.4
89.06013	1.8
91.05472	12.7
93.07041	35.5
95.04949	6.7
95.08604	66.5
97.06537	3.8
97.10178	12.0
98.21256	1.8
99.08097	59.2
103.05470	5.5
105.03410	1.8
105.04493	1.7
105.07024	15.2
107.04955	64.7
107.08592	59.0
109.06520	3.5
109.10143	18.8
111.04450	2.7
111.08084	23.2
111.11721	6.7
113.09641	6.2
115.05470	4.0
117.03381	17.0
119.08586	1.9
121.06496	5.2
121.10147	75.1
123.08084	2.9
123.11680	7.7
124.05184	2.3
125.09632	38.4
126.20723	1.6
127.11198	1.5
130.96275	2.9
131.08606	2.2
131.96161	2.7
133.02867	1.7
133.06477	1.6
133.10094	2.8
134.03638	2.8
135.04431	11.0
135.08064	13.6
135.11691	25.7
137.06010	2.5
137.13268	24.0
138.06618	6.5
139.03922	2.4
139.07512	1.9
139.11179	5.3
145.02847	29.6
148.97316	3.5
149.06003	7.1
149.09631	5.1
149.13229	7.3
149.97249	4.1
151.07565	2.0
151.14774	1.7
152.06226	2.4
154.06264	3.3
159.11691	2.2
162.03069	1.4
163.03883	16.4
163.06451	1.6
163.07568	14.8
165.32043	1.5
167.03394	2.3
167.07059	17.7
167.08441	2.8
171.98946	2.5
177.01939	1.6
177.05470	40.4
177.09077	5.9
177.13052	2.4
177.16386	100.0
180.07813	5.0
180.09285	1.8
195.02905	17.0
195.04482	2.4
195.06580	8.1
195.08580	5.0
195.10220	20.2
195.13783	2.7
195.15637	2.3
195.17419	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03944	6.9
55.01873	9.4
55.05511	22.7
57.03441	1.7
57.07072	4.7
65.03933	2.7
67.05508	15.3
69.03429	13.0
69.07072	42.2
69.98782	1.3
71.05007	7.0
71.14561	1.5
71.14896	2.9
77.03888	2.3
78.04718	2.7
79.05498	31.0
81.03426	2.3
81.07064	44.1
83.04967	2.9
83.08624	15.4
85.02883	2.0
85.06540	5.3
89.03930	13.2
91.05484	19.5
93.07051	37.6
95.04970	11.8
95.08047	2.6
95.08613	46.3
97.06522	4.0
97.10164	6.6
99.07473	2.9
99.08098	45.3
103.05475	11.0
105.04495	2.2
105.07031	19.0
106.04183	1.8
107.04964	100.0
107.08598	46.9
109.02861	2.1
109.06523	4.2
109.10164	13.7
109.98956	2.5
110.07160	2.4
111.04440	4.5
111.08100	17.0
111.11710	5.4
113.09638	6.4
115.05420	4.7
117.03385	23.3
117.07003	3.3
119.08611	4.2
120.05741	3.2
121.02869	4.0
121.06519	20.8
121.10152	60.3
123.04429	3.7
123.08048	2.1
123.11705	4.8
124.05194	3.1
125.05976	4.1
125.09645	28.3
131.04906	4.6
131.08580	4.5
131.96196	2.1
133.02853	5.0
133.06577	1.5
133.10147	2.6
134.03632	3.6
135.04419	15.5
135.08055	22.2
135.11694	19.2
137.05960	2.8
137.09587	1.7
137.13283	16.7
138.06619	9.0
139.03883	3.9
139.07526	4.2
139.11171	4.5
145.02864	42.6
145.03990	3.6
148.97377	4.3
149.05997	36.1
149.09610	6.0
149.13185	7.7
149.97217	2.5
151.03871	2.4
151.07584	7.0
151.14783	1.8
152.04636	2.1
153.05469	4.8
153.98027	1.8
154.06256	4.0
159.11674	3.0
161.06041	1.6
163.03917	19.3
163.06430	1.4
163.07565	20.3
165.06999	2.9
167.07069	31.1
167.08499	2.3
171.98999	1.9
177.05478	71.3
177.09077	3.4
177.12817	5.7
177.16403	74.5
177.70003	1.5
180.07828	4.9
186.05244	1.7
195.02887	16.3
195.04628	2.8
195.06552	46.8
195.08557	7.5
195.10278	24.3
195.11726	2.7
195.13797	7.1
195.15749	3.4
195.17468	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	0.7
55.05512	7.9
57.03435	3.4
57.07074	9.9
65.03947	1.1
67.05505	33.8
68.99773	0.7
69.03425	1.2
69.07069	7.8
69.58743	2.8
71.04979	1.6
71.08622	3.1
79.05494	73.8
81.03421	0.6
81.07059	24.1
83.04984	0.9
83.08603	4.0
85.06539	0.7
85.10184	22.9
89.03898	1.8
89.06013	1.2
91.05480	8.6
93.07047	27.9
95.04946	2.2
95.08607	19.0
95.09116	0.3
95.09221	0.6
97.06558	1.3
97.10160	2.0
98.20888	1.5
99.08088	2.3
105.07008	2.1
107.04940	1.4
107.08599	20.1
109.06528	1.6
109.10161	4.5
111.00809	1.0
111.08089	7.8
113.09652	14.2
117.03365	3.6
121.06511	0.8
121.10151	11.7
123.11645	1.0
125.09630	1.6
135.04439	0.7
135.08090	0.6
135.11694	4.4
138.06590	1.3
139.11182	0.8
141.12756	2.8
145.02873	7.0
149.06006	1.4
153.01744	0.8
161.12823	0.6
163.03938	1.7
172.98894	0.7
177.05486	8.0
195.02910	2.0
195.06534	1.7
195.08733	2.1
195.17448	100.0
196.17897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03935	2.0
55.01868	1.2
55.05514	7.6
57.03439	4.1
57.06824	0.9
57.07077	10.0
63.41755	0.5
65.03922	1.0
67.05507	30.8
69.03401	1.2
69.07069	7.8
70.46683	0.5
71.04987	2.4
71.08633	3.0
71.76352	0.6
79.05495	76.6
80.05853	0.6
81.03400	0.8
81.07059	26.2
83.01371	0.6
83.04963	2.6
83.08624	3.3
85.06529	1.7
85.10187	19.8
89.03901	1.8
89.06023	1.5
91.05481	9.3
92.61648	0.6
93.07046	29.4
95.04949	2.7
95.08614	18.8
97.06504	1.5
97.10168	2.0
99.08073	2.1
104.43258	0.6
105.07028	2.6
107.04940	1.9
107.08596	21.1
107.42598	0.6
109.06511	2.2
109.10168	4.9
111.08084	7.4
113.09645	14.2
117.03378	2.3
118.48135	0.7
121.10148	13.0
123.11788	0.6
125.09644	1.1
130.96313	0.7
131.08572	0.7
131.96225	0.7
133.10103	0.6
135.11707	5.7
138.06575	1.3
139.11154	0.9
141.12741	2.9
145.02853	5.1
148.97382	1.2
149.06000	1.4
149.13268	0.8
149.97206	0.9
153.12761	1.1
163.03940	1.2
163.07471	0.7
165.07047	1.0
167.07033	1.4
167.08534	0.6
171.98894	1.1
177.05457	7.5
177.16362	0.9
195.02899	1.9
195.06589	3.1
195.08688	2.2
195.11714	1.6
195.17453	100.0
196.17859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	3.2
55.01882	4.8
55.05514	6.3
56.47422	0.7
57.03438	2.6
57.07071	3.6
65.03944	1.8
67.05509	16.6
67.05864	0.9
68.99796	0.9
69.03446	1.5
69.07076	10.8
71.05008	3.4
71.18395	1.7
77.03938	1.0
79.05497	43.0
81.03431	1.9
81.07062	40.1
83.04975	4.5
83.08619	1.7
85.02907	1.0
85.06548	2.2
87.04455	1.0
89.03912	3.5
91.05485	20.1
91.50103	0.7
93.07049	100.0
95.04975	6.9
95.08616	30.9
95.09239	1.3
97.06528	5.4
103.05470	2.7
105.04540	1.1
105.07032	9.4
106.04173	1.0
107.04958	26.8
107.08603	35.3
109.02877	0.7
109.06522	3.3
109.10155	3.3
111.08105	1.9
115.05434	2.0
117.03381	6.5
117.07025	5.1
119.08591	3.3
120.02129	1.0
121.06516	14.3
121.10152	8.0
123.08060	2.1
123.11754	0.9
124.05216	0.8
125.06001	2.4
125.09605	0.8
131.04919	0.8
131.08611	4.9
133.02893	1.4
133.06546	1.1
133.10149	14.4
135.04437	5.7
135.07106	1.4
135.08075	12.5
135.11699	98.0
136.12064	1.1
137.02399	0.7
137.06003	1.2
137.09636	0.8
138.06689	1.0
139.03902	1.7
139.07521	5.1
145.02864	10.0
145.03931	0.9
149.06007	3.9
149.09677	1.8
149.13274	17.3
151.07541	1.7
152.04729	0.8
152.06142	0.8
153.09125	3.4
154.06261	1.3
159.11719	13.5
163.03911	9.0
163.07616	5.3
165.05569	1.3
165.07008	1.7
167.03357	1.1
167.07074	6.1
167.08432	1.1
177.01881	0.9
177.05504	12.4
177.12759	27.7
177.16325	0.8
180.09334	1.6
195.02942	5.8
195.04504	0.9
195.06520	4.8
195.08704	1.2
195.10321	3.2
195.11713	3.0
195.13803	12.4
195.17435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.90434	1.3
53.03950	8.6
55.01856	5.8
55.05513	17.4
55.66037	1.6
57.03436	8.8
57.07052	2.0
59.05000	2.1
65.03928	5.3
67.05508	81.4
67.05870	3.8
69.03431	4.7
69.07070	24.8
69.45757	6.2
69.46184	6.0
71.04984	11.6
75.66286	1.5
77.03915	2.4
79.05496	59.6
81.03410	6.1
81.07059	100.0
83.04997	15.2
83.08627	12.6
85.02876	2.4
85.06541	11.2
88.68281	1.5
89.03902	8.1
91.05485	49.4
93.07048	95.7
95.04966	13.7
95.08610	48.4
97.06527	19.3
97.10149	3.7
98.21093	5.6
99.08091	5.6
103.05445	5.8
105.04533	2.3
105.07037	18.6
106.04173	2.5
107.04961	49.8
107.05700	3.2
107.08599	50.1
109.06530	15.2
109.10143	8.8
111.04417	2.8
111.08081	10.9
111.11688	1.7
115.05436	2.9
117.03380	15.3
117.07017	17.0
119.08585	18.1
121.02924	1.8
121.06506	30.7
121.10143	16.0
123.08087	3.1
123.11699	2.7
125.05977	2.6
125.09602	1.7
127.07532	2.2
131.08560	19.2
131.96097	1.6
133.02866	4.0
133.10138	24.6
134.03647	3.6
135.04440	8.4
135.08067	17.3
135.11699	63.6
137.05952	2.5
137.09616	18.7
138.06613	3.9
139.03806	1.7
139.07533	4.6
145.02855	27.1
145.03958	3.6
147.11626	4.0
149.06015	9.6
149.09654	7.0
149.13266	36.2
151.07573	2.4
151.11174	7.9
152.06180	3.8
153.09106	5.4
153.12775	1.8
154.06261	1.8
159.11700	47.0
163.03900	9.4
163.07596	12.1
165.05472	4.4
165.06898	3.9
167.07037	10.5
167.08467	3.1
171.99025	1.4
177.05478	39.4
177.09177	2.3
177.12750	48.5
177.16306	1.7
180.07851	2.5
180.09372	3.9
195.01385	1.9
195.02899	9.7
195.06631	9.4
195.08289	5.4
195.10225	10.9
195.11946	3.7
195.13814	95.6
195.17464	5.9
196.14328	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02363	1.3
53.00313	0.9
53.03939	3.7
55.01884	4.4
55.05517	4.6
57.03447	1.0
57.07068	3.4
60.73248	0.7
65.03928	1.9
67.05503	12.9
69.03420	1.5
69.07067	6.7
69.37994	0.7
69.45881	5.9
71.04983	2.6
77.03941	0.9
79.05497	43.2
81.07061	26.7
83.04972	2.9
83.08630	1.0
85.06531	1.4
87.04468	1.4
89.03921	3.9
91.05485	17.7
93.03383	1.0
93.07050	94.0
94.07362	0.7
95.04965	5.8
95.08046	1.4
95.08616	22.6
95.61807	0.7
97.06534	2.2
98.20918	2.4
99.04446	0.8
103.05467	3.9
105.04527	1.1
105.07031	9.5
106.04193	0.9
107.04960	32.5
107.08597	33.6
109.06515	2.5
109.10164	3.4
111.08069	1.5
115.05449	2.7
117.03391	6.7
117.07035	5.6
119.08586	3.1
121.06509	12.7
121.10130	7.3
123.08027	0.9
125.05994	1.7
129.43468	0.7
130.96321	0.8
131.08574	4.5
133.02875	1.5
133.10144	10.7
135.04407	4.9
135.07085	1.4
135.08081	14.0
135.11699	100.0
136.04744	0.9
136.12059	1.2
137.05952	1.0
138.06625	1.4
139.03909	1.7
139.07526	3.2
145.02846	11.6
145.03972	1.0
149.05986	4.3
149.09624	2.1
149.13277	13.5
153.09126	3.2
154.06192	1.8
159.11700	9.6
163.03928	6.8
163.07588	7.4
165.07072	1.2
167.07071	5.1
177.05478	12.0
177.12756	21.1
177.16351	0.8
180.04279	0.9
195.02831	4.6
195.06633	3.8
195.08562	1.6
195.10275	4.8
195.11757	1.5
195.13771	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02376	1.0
51.92799	0.8
52.13661	0.8
53.03939	2.8
53.12648	0.8
55.01866	5.6
55.05512	9.5
57.03426	1.6
57.07076	4.5
65.03948	1.8
67.05508	17.3
68.99801	1.4
69.03431	3.1
69.07066	9.4
69.32154	5.5
69.32574	2.6
71.04989	4.8
73.56524	0.9
77.03936	1.6
77.50132	1.0
78.04689	0.9
79.05493	49.5
81.03441	2.2
81.07056	34.0
83.04969	4.2
83.08596	2.1
85.02891	1.7
85.06549	2.0
89.03918	11.2
91.05480	22.7
91.07411	0.8
93.07046	98.0
95.04964	11.1
95.08607	27.3
97.06517	4.4
97.10155	1.1
98.20918	3.6
98.94962	0.9
99.08096	1.6
103.05466	3.3
105.03436	1.1
105.04489	1.3
105.07029	11.1
106.04166	1.4
107.04958	37.6
107.08594	31.9
107.85374	0.9
109.06536	4.6
109.10166	4.7
111.08087	3.2
115.05446	2.2
117.03386	15.4
117.07014	6.2
119.08575	5.5
121.02851	2.0
121.06512	15.1
121.10149	10.2
123.08041	1.8
123.11686	1.9
124.05181	1.3
125.05995	3.1
125.09634	1.5
129.06998	1.1
130.96281	1.8
131.08551	7.9
131.96198	1.0
133.02863	3.0
133.06528	1.7
133.10143	13.8
134.03589	2.7
135.04434	8.7
135.07115	1.6
135.08063	18.5
135.11691	100.0
136.12057	1.3
137.06001	2.2
137.09604	2.1
138.06624	3.2
139.03880	1.4
139.07547	4.4
144.09338	1.1
145.02852	32.3
148.97351	1.4
149.05969	11.3
149.09599	5.6
149.13258	14.3
149.97235	1.2
151.03909	1.0
151.07538	4.0
151.11198	1.3
152.04672	1.1
152.06242	1.1
153.05508	1.6
153.09084	3.4
153.97986	1.0
154.06235	1.0
159.11664	9.8
159.20146	0.9
163.03912	13.7
163.07593	7.2
165.07047	2.6
167.03459	1.5
167.07050	8.2
167.08473	1.7
177.01891	1.9
177.05470	38.5
177.09064	1.6
177.12755	28.6
177.16353	2.3
180.07884	2.0
180.09358	1.6
195.02925	10.2
195.06541	8.6
195.08394	3.8
195.10304	8.7
195.11763	3.0
195.13777	11.2
195.17455	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	4.0
55.01875	3.3
55.05514	14.5
57.03440	4.8
57.07076	2.6
65.03934	2.2
67.05510	61.9
68.96326	0.9
68.99793	0.9
69.03428	1.6
69.07071	16.2
69.41837	1.0
70.17657	3.4
71.01359	2.8
71.04993	6.3
73.02895	1.2
77.03930	1.1
79.05499	45.4
81.03421	7.8
81.07062	100.0
83.04988	14.5
83.08627	11.6
85.02898	1.3
85.06547	4.6
88.95285	1.0
89.03929	3.7
91.04897	1.1
91.04991	0.5
91.05484	27.2
93.07053	63.5
95.02054	0.8
95.04978	9.3
95.08612	40.0
97.06543	15.4
97.10167	2.0
98.21230	2.1
99.04478	0.9
99.08120	2.8
103.05480	3.7
105.04541	2.2
105.07050	14.1
106.04147	0.9
107.04965	34.5
107.08602	28.4
107.19720	0.9
108.68916	0.9
109.06514	5.6
109.10152	4.9
111.04446	1.1
111.08083	8.0
113.06042	1.1
113.09671	1.9
115.05472	2.8
117.03400	7.9
117.07017	13.0
119.08586	4.1
121.06538	6.9
121.10154	10.3
123.08072	1.5
125.05969	1.3
129.07007	1.2
130.96275	1.5
131.04990	1.2
131.08588	14.1
133.10136	15.6
134.03635	0.9
135.04448	5.0
135.08073	13.3
135.09007	1.6
135.10670	1.9
135.11702	35.6
137.06009	1.9
137.76573	0.9
138.06624	3.1
138.93721	0.8
139.07552	2.2
139.11130	1.0
145.02858	13.7
145.03995	1.4
145.07565	1.1
148.97377	1.7
149.05977	4.8
149.09653	3.4
149.13268	24.7
149.97217	1.6
151.11180	3.2
153.09096	1.4
159.11705	24.4
160.11972	1.2
162.03160	1.3
163.03960	7.5
163.07545	10.7
165.06955	1.4
167.03435	2.4
167.07065	5.4
167.08539	1.5
171.98984	1.5
177.05484	20.2
177.12761	18.7
180.07878	1.5
180.09357	1.5
195.02928	5.1
195.06554	13.8
195.08681	5.2
195.10228	3.3
195.11810	4.0
195.13852	20.2
195.15601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.02377	0.6
51.60665	0.6
51.74149	0.6
53.03948	7.3
55.01870	7.3
55.05257	1.0
55.05513	13.2
57.03427	2.1
57.07063	2.7
59.04985	1.1
60.43966	0.6
63.96661	0.7
65.03946	1.6
67.05505	12.8
69.03430	6.0
69.07071	23.8
70.07394	0.8
71.04986	6.8
71.08654	0.7
71.56361	1.2
77.03902	3.4
78.04713	0.8
79.05495	28.8
81.03424	1.6
81.07059	32.2
83.01294	0.7
83.04986	5.3
83.08618	8.0
85.02898	1.2
85.06538	4.5
89.03918	6.6
91.05482	55.8
93.03412	1.0
93.07047	74.1
94.07357	0.9
95.04968	16.5
95.08613	31.1
95.09237	1.5
95.27112	0.8
97.06529	4.3
97.10182	5.1
99.08099	21.8
103.05463	5.6
105.03382	1.2
105.04526	4.9
105.07034	16.1
106.04189	0.9
107.04958	52.0
107.08598	52.3
109.02866	0.8
109.06528	13.8
109.10156	13.3
110.10504	0.6
111.04430	2.6
111.08091	11.3
111.11709	2.3
113.09637	2.6
115.05463	3.9
117.03387	10.2
117.07021	7.3
119.04945	0.9
119.08580	26.7
120.05731	1.7
120.08920	0.9
121.02817	1.2
121.06510	48.6
121.10146	31.0
123.04404	1.4
123.08054	4.0
123.11748	4.3
124.05231	1.3
125.06003	3.7
125.09635	15.4
127.07563	4.2
129.07018	1.1
131.04869	0.9
131.08578	10.8
133.02838	1.3
133.06465	1.3
133.10138	12.3
134.03625	1.7
134.07239	1.2
135.04454	4.8
135.08066	22.7
135.10680	1.3
135.11691	18.8
136.12044	1.1
137.09622	1.4
137.13263	6.6
138.06601	2.0
139.03906	1.1
139.07538	5.9
139.11208	1.6
144.09326	2.3
145.02841	18.3
147.04353	1.3
147.11708	8.0
148.97331	0.9
149.05957	5.6
149.09666	3.8
149.13263	5.4
151.07530	1.9
151.11195	3.3
152.04709	0.9
152.06198	1.0
153.05482	0.8
153.09113	14.3
154.06305	2.3
159.11697	22.6
163.03914	7.0
163.07552	15.7
165.05534	0.7
165.06961	0.8
165.12726	3.9
167.03415	1.2
167.07056	17.0
167.08411	0.7
171.98882	0.8
177.01926	1.0
177.05482	27.8
177.07042	1.4
177.09142	1.2
177.12776	22.7
177.16402	36.4
178.05777	0.8
180.07820	3.3
186.05452	0.8
193.97139	0.6
195.02914	5.1
195.06638	4.4
195.08548	1.8
195.10231	14.4
195.13812	100.0
195.17531	9.0
196.14163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00304	0.8
53.03932	1.8
55.01875	1.8
55.05505	1.1
55.34571	0.3
57.03436	0.9
57.07074	0.5
65.03940	0.8
67.05509	2.1
69.03426	0.7
69.07082	1.9
70.69999	1.0
71.04991	0.9
77.03941	0.6
78.04732	0.4
79.05495	12.4
81.07069	3.9
83.04977	1.0
83.08610	0.9
85.06537	0.5
89.03924	2.4
89.06018	0.3
91.04955	0.7
91.05486	7.2
92.06286	0.6
93.03419	0.4
93.07053	4.6
95.04970	4.3
95.08604	2.9
97.06530	0.8
99.08114	2.6
103.05480	8.8
104.80070	0.3
105.03413	0.4
105.04515	0.8
105.07040	12.2
106.04197	0.6
107.04961	100.0
107.08596	4.4
108.05241	0.4
109.06518	0.9
109.10152	0.7
111.04449	0.8
111.08110	1.1
115.05467	7.7
117.03376	3.9
117.07030	2.7
119.04939	0.8
120.05730	2.2
120.65424	0.3
121.02843	0.3
121.06535	1.6
121.10150	3.1
123.04436	0.8
124.05190	0.7
125.06000	0.5
125.09641	0.8
131.04892	0.8
131.08568	0.4
133.02864	0.8
133.06538	0.6
133.10191	0.4
134.03638	1.0
135.04449	1.9
135.08061	24.6
135.11670	3.8
137.05992	0.6
137.13321	0.7
138.06670	0.6
139.03915	0.5
139.07579	0.4
145.02852	7.4
145.06572	0.6
145.07645	1.6
147.04405	1.1
148.05185	0.5
149.05969	2.3
149.13271	1.0
150.03215	0.4
151.03856	0.6
151.07585	0.5
153.09090	0.5
154.06274	1.1
159.11650	0.4
163.03943	2.3
163.07556	36.6
164.08031	0.4
165.05551	0.7
165.06966	0.6
167.07066	8.6
167.08405	0.4
177.02075	0.4
177.04134	0.3
177.05475	8.6
177.09105	0.6
177.12738	1.0
177.16399	3.5
180.07799	2.3
195.02927	2.2
195.06512	1.0
195.08499	1.0
195.10202	8.2
195.11749	0.8
195.13867	1.0
195.17482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.02376	1.1
51.47179	0.8
53.03949	7.0
55.01874	6.9
55.05295	0.8
55.05515	9.7
57.03422	3.7
57.07064	1.6
60.32983	0.7
61.61737	0.8
65.03931	2.7
67.05514	10.9
69.03429	2.0
69.07073	14.0
70.90849	1.9
71.04969	3.5
74.02673	0.8
77.03926	2.6
78.04688	0.9
79.05496	32.1
81.03406	2.5
81.07061	23.8
83.04993	5.7
83.08614	4.1
85.02894	1.6
85.06541	2.4
89.03922	8.8
89.06013	0.9
91.05485	46.4
93.07050	56.5
95.04980	14.9
95.08609	13.0
96.08098	1.3
97.06539	5.1
97.10177	2.9
98.20949	0.9
99.08080	2.6
103.05473	11.1
105.03361	1.5
105.04501	3.0
105.07030	19.8
106.04176	1.6
107.04959	100.0
107.08597	28.7
108.05221	1.4
109.02850	1.2
109.06529	11.0
109.10159	6.5
110.07208	1.0
111.04435	2.3
111.08100	4.4
115.05477	8.1
117.03386	14.1
117.07009	7.1
119.04958	3.0
119.07794	1.5
119.08595	22.6
120.05720	1.6
121.02833	1.7
121.06509	41.6
121.09319	1.3
121.10146	12.1
123.04442	2.1
123.08086	7.3
123.11678	4.1
124.05232	2.1
125.05978	3.0
125.09625	3.4
127.07545	2.9
130.96326	0.9
131.08571	8.5
131.96138	1.1
133.02837	2.3
133.06523	1.1
133.10120	8.4
134.03630	2.8
135.04425	12.9
135.08055	30.3
135.11699	17.0
137.05994	2.6
137.09608	1.8
137.13235	3.7
138.06651	2.4
138.53409	0.9
139.03886	1.9
139.07564	6.5
139.11191	1.7
140.53406	1.0
144.09299	2.1
145.02861	25.6
145.03917	1.6
145.06552	1.2
145.07629	1.7
147.04375	1.2
147.11667	6.5
148.97342	1.5
149.05971	11.0
149.09586	5.8
149.13274	4.3
149.97270	1.1
151.03972	1.2
151.07550	15.7
151.11148	3.4
151.14853	1.0
152.04662	2.8
152.06142	1.2
153.09094	9.7
159.11713	14.8
162.03082	0.9
163.03925	15.3
163.07558	30.0
165.05560	1.1
165.07002	2.7
165.12787	2.2
167.07088	14.8
167.08592	2.6
170.78650	0.9
171.98907	1.3
177.01947	1.5
177.05481	34.1
177.09113	8.2
177.12744	16.4
177.16397	4.4
180.04175	1.5
180.07790	3.2
180.09195	1.0
195.02927	7.9
195.04868	1.7
195.06570	15.5
195.08435	4.3
195.10242	16.3
195.13809	68.1
195.17445	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	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00310	0.7
53.03939	2.1
55.01870	3.7
55.05507	4.9
57.01818	0.6
57.03428	1.9
57.07053	2.0
63.10209	0.5
65.03932	1.9
67.05504	6.7
68.99792	0.6
69.03428	1.8
69.07064	7.2
69.37609	4.1
71.04980	2.3
71.08596	0.5
77.03926	1.2
78.04684	0.8
79.05491	20.8
81.03419	1.4
81.07053	9.7
83.04987	5.0
83.08610	2.1
85.02905	1.6
85.06522	1.5
89.03916	8.7
89.06021	0.9
91.05482	12.6
92.47294	0.5
93.03394	0.9
93.07045	16.9
94.04160	0.5
95.04974	8.0
95.08604	9.6
97.06528	2.0
97.10174	1.5
98.20837	0.9
98.21455	0.9
99.08106	1.3
103.05465	9.7
105.03398	3.7
105.04512	1.3
105.06375	1.0
105.07031	14.2
106.04184	1.5
106.07389	0.7
107.04953	100.0
107.08589	10.2
108.05262	0.8
109.02877	0.7
109.06525	2.9
109.10149	4.7
111.04473	2.7
111.08070	2.1
113.09650	1.0
115.05458	7.8
117.02596	1.1
117.03381	12.9
117.07043	3.8
119.04946	1.0
119.08613	1.4
120.02089	0.9
120.05723	2.9
121.02853	1.9
121.06505	5.1
121.10130	7.6
123.04436	1.8
123.08083	1.5
123.11691	1.2
124.05217	1.8
125.05987	2.3
125.09642	1.5
130.96291	0.8
131.04881	1.0
131.08560	2.2
131.96198	0.5
133.02840	4.1
133.06522	1.1
133.10152	1.8
134.03627	3.2
135.04414	9.0
135.08049	22.5
135.11690	12.0
137.05963	2.5
137.09619	2.2
137.13269	1.5
138.06615	3.4
139.03905	3.2
139.07507	1.7
139.11174	1.1
145.02847	23.3
145.03888	0.9
145.06561	0.7
145.07628	1.7
147.04405	1.3
148.05103	0.6
148.97369	2.3
149.02353	2.3
149.05988	8.6
149.09639	3.7
149.13228	2.8
149.97232	1.4
150.03001	0.6
151.03908	1.2
151.07521	1.7
152.04730	1.0
152.06184	0.5
153.01828	0.6
153.05513	1.3
153.09198	0.6
153.12772	0.9
153.97902	0.6
154.06160	1.3
159.11723	1.8
162.03165	1.1
163.03902	11.7
163.07558	33.1
165.05562	1.1
165.07022	1.8
167.03444	3.2
167.07066	9.7
167.08472	0.8
171.98947	1.2
177.01855	1.7
177.05476	29.4
177.08955	2.5
177.12718	4.0
177.16437	4.2
180.07809	2.9
180.09346	1.3
186.05493	0.6
195.01103	1.1
195.02904	20.5
195.06580	6.8
195.08539	3.6
195.10217	10.9
195.11716	1.2
195.13741	4.3
195.15631	1.0
195.17479	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02383	0.9
53.00303	0.6
53.03945	1.7
55.01866	2.4
55.05512	0.9
57.03441	0.9
62.84824	0.6
65.03943	1.3
67.05495	0.9
69.03423	0.8
69.07053	0.8
69.63284	1.6
69.63676	1.1
77.03941	0.6
79.05495	13.0
81.03431	0.7
81.07060	1.3
81.76614	0.6
88.24874	0.4
89.03927	2.4
91.05479	8.7
92.06252	0.6
93.03412	0.7
93.07042	2.5
95.04977	4.7
95.08589	0.6
97.06560	0.6
98.21119	1.9
103.05473	12.2
105.03414	0.8
105.04553	0.7
105.07033	12.6
106.04163	0.8
107.04958	100.0
107.08575	2.8
108.05286	0.6
109.06519	0.7
110.03655	0.6
111.04476	0.7
111.08101	0.5
115.05463	8.3
116.06234	1.0
117.03400	4.4
117.07005	3.1
119.04903	1.2
119.08553	0.8
120.05752	3.2
121.02843	0.5
121.06535	1.5
121.10178	0.6
123.04446	1.8
123.08056	0.4
124.05200	2.3
125.06005	1.5
129.47079	0.5
131.04930	0.9
131.08601	0.7
133.02863	1.2
133.06459	1.2
134.03638	0.8
135.04456	1.3
135.08060	26.8
135.11671	0.8
137.05986	1.3
137.09633	0.9
138.06631	0.8
139.03929	1.6
139.07536	0.7
145.02855	7.7
145.07607	1.4
147.04430	2.6
148.05203	0.6
149.05957	3.2
149.09619	1.2
149.13309	0.6
151.03976	0.8
152.04698	1.6
154.06270	7.5
163.03917	1.5
163.07549	33.2
164.08151	0.6
165.05449	1.4
167.03348	1.1
167.07047	35.8
177.05481	9.5
177.09030	0.9
177.12703	0.6
180.07826	7.5
195.02870	2.0
195.06593	4.0
195.10179	36.3
196.10527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00319	0.7
53.03947	2.5
55.01873	2.6
55.05519	1.0
60.94323	0.5
65.03941	0.7
65.52002	0.5
67.05523	1.9
68.90783	0.4
69.07094	0.4
69.88902	2.0
78.04717	0.6
78.32178	0.5
79.05493	12.2
80.88997	0.5
81.03410	0.7
81.07070	2.6
87.50182	0.5
88.44722	0.4
89.03924	1.5
89.06021	1.0
91.05481	8.5
93.03415	0.7
93.07068	2.8
95.04982	4.7
95.08607	1.0
96.87126	0.5
97.06506	0.7
98.21143	1.6
103.05476	12.3
105.07040	13.8
107.04961	100.0
107.08566	2.7
108.05273	0.9
109.06560	1.1
110.03677	0.7
111.04461	1.0
115.05467	7.3
116.06262	1.1
117.03398	2.3
117.07006	3.1
119.04960	1.6
120.05725	3.0
121.06522	1.4
121.10180	0.6
122.03582	0.7
123.04456	2.3
124.05207	1.5
125.05993	1.6
131.04919	0.9
133.02873	1.2
133.06526	0.9
133.10091	0.5
134.03706	0.7
135.04465	1.0
135.08061	24.4
135.11703	1.4
137.06003	1.9
138.06635	0.8
139.03893	2.5
145.02866	3.4
145.06569	0.6
145.07622	2.0
147.04451	3.8
148.05168	0.8
149.06042	2.5
149.97296	0.7
151.03943	1.4
152.04701	1.2
153.01855	0.8
153.05504	2.2
154.06273	7.7
159.61526	0.5
163.03903	1.4
163.07555	33.4
164.08246	0.6
165.05551	1.2
165.06976	0.8
167.03403	1.1
167.07056	39.3
177.05499	5.3
177.12730	0.5
180.07838	8.7
180.09358	1.0
195.02910	2.0
195.06554	3.7
195.08727	1.5
195.10182	36.2
195.11630	2.3
195.13872	1.6
195.17503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02363	0.5
53.00314	0.6
53.03949	2.2
54.79969	0.4
55.01878	2.3
55.05498	1.8
57.03430	3.2
61.70591	0.4
65.03925	1.0
66.12733	0.6
67.05505	4.9
69.03434	0.7
69.07067	1.8
71.05005	0.5
71.57971	0.5
73.80556	0.4
77.03922	0.7
78.04694	1.1
79.05494	15.6
81.03414	2.4
81.07053	7.7
83.04990	1.4
83.08588	0.6
85.06573	0.7
87.04422	0.5
89.03918	2.0
89.06021	0.5
91.04956	0.8
91.05483	10.8
93.03422	1.0
93.07040	6.2
94.04191	0.5
95.04971	5.5
95.08585	3.8
97.06537	1.0
103.05473	11.3
105.03349	0.6
105.04503	0.6
105.07034	14.3
106.04179	0.7
107.04957	100.0
107.08592	4.3
109.06505	1.6
109.10152	1.0
110.03709	0.6
111.04422	0.9
111.08099	1.3
115.05455	8.3
117.03400	3.6
117.07035	3.8
119.04986	1.0
119.08576	0.8
120.05730	2.9
121.06493	2.6
121.10146	1.9
123.04451	2.8
123.08081	5.9
124.05161	2.7
125.05986	1.7
131.04924	1.6
131.08601	1.3
133.02863	1.5
133.06528	1.2
133.10143	1.1
134.03641	0.7
135.04453	2.5
135.08057	24.6
135.11690	3.6
137.06003	1.6
137.09586	0.7
138.06604	2.3
139.03900	1.9
145.02847	6.5
145.03944	0.4
145.07613	2.2
147.03387	0.6
147.04350	2.5
148.05179	1.2
148.97449	0.6
149.05992	1.3
149.09602	0.9
149.13286	1.3
149.97171	0.6
151.03969	1.3
151.07524	0.7
152.04715	1.5
152.06160	0.5
153.05423	0.6
154.06274	6.5
159.11700	1.0
162.06512	0.7
163.03940	2.8
163.07549	31.4
164.08067	0.6
165.05486	1.8
165.07033	1.6
167.07045	35.1
177.05473	7.2
177.09209	0.5
177.12764	2.0
177.16351	0.6
180.07835	7.5
180.09286	0.8
195.02928	2.7
195.06708	2.8
195.08676	1.9
195.10184	33.4
195.11681	3.0
195.13853	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.68380	0.5
53.03936	2.6
55.01874	2.2
55.05511	3.8
57.03448	1.5
57.07086	1.1
59.05035	0.6
63.02385	1.1
65.03945	2.0
67.05513	7.8
69.03432	1.8
69.07078	5.1
69.55740	2.7
69.56163	1.2
71.04999	1.7
73.60358	0.6
78.04728	1.5
79.05498	19.6
81.03436	1.7
81.06579	0.7
81.07059	14.1
81.07519	1.0
83.05000	2.8
83.08631	1.1
84.55518	0.6
85.02908	0.9
85.06557	1.6
86.04415	0.5
89.03922	25.1
89.06054	1.3
91.05488	12.3
93.03417	0.9
93.07049	23.7
95.04966	6.1
95.08611	10.3
97.06548	2.3
97.10185	0.7
98.21137	2.0
99.08115	0.8
103.05473	5.5
105.03378	1.1
105.04544	1.1
105.07037	6.8
106.04192	3.4
106.07391	0.7
106.51091	0.5
107.04963	48.8
107.08600	11.4
108.05734	0.6
109.02902	0.7
109.06494	2.8
109.10181	3.1
109.98915	0.6
110.07137	0.6
111.04471	1.4
111.08085	1.8
114.82360	0.6
115.05479	2.3
117.03387	46.3
117.07018	3.2
119.04975	1.4
119.08617	1.4
120.05724	1.0
121.02914	1.3
121.06514	6.5
121.10145	5.7
122.03556	0.6
123.04443	1.0
123.08078	2.2
123.11727	1.2
124.05236	2.0
125.06010	2.2
125.09624	1.4
130.96300	1.0
131.05013	1.0
131.08578	3.1
133.02843	1.6
133.06485	1.1
133.10141	3.0
134.03648	7.7
135.04430	14.5
135.07104	1.3
135.08060	10.6
135.10678	1.3
135.11699	22.0
137.05983	2.1
137.09648	1.2
137.13293	1.3
138.06671	2.6
139.03876	1.4
139.07552	3.0
145.02856	83.1
147.04416	1.1
148.97408	1.9
149.02321	0.6
149.05980	22.0
149.09593	3.0
149.13297	3.7
150.03123	0.7
151.03897	1.3
151.07542	5.8
151.11166	0.6
152.04697	1.9
152.06207	1.4
153.05511	0.8
153.09163	1.1
153.97917	0.9
154.06248	1.5
158.06003	0.7
159.11696	3.2
162.03140	2.1
163.03918	22.0
163.07581	9.5
165.05550	1.3
165.06992	2.0
167.03403	1.3
167.07057	10.7
167.08595	1.9
171.98978	1.3
177.05481	100.0
177.09070	2.3
177.12747	6.3
177.16377	1.7
179.08638	0.6
180.04187	0.8
180.07803	2.0
180.09285	1.0
186.05580	1.4
190.83849	0.5
195.02922	7.2
195.06598	9.2
195.08449	3.7
195.10245	10.1
195.11765	1.6
195.13835	3.8
195.15712	1.3
195.17473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02344	0.8
53.00283	0.7
53.03927	2.2
53.60629	0.6
55.01849	1.9
55.05493	1.5
57.03430	1.0
63.02357	1.3
65.03912	2.0
67.05492	2.9
69.03432	1.4
69.07045	2.0
69.91008	1.2
69.91428	2.2
71.04981	1.1
77.03886	1.0
78.04691	2.0
79.05058	0.9
79.05490	12.1
81.03400	1.1
81.07050	4.3
83.04953	2.7
85.02879	0.9
85.06528	1.2
89.03916	26.8
89.06017	0.6
91.05471	11.2
93.03386	1.4
93.07035	6.5
94.04199	0.6
95.01340	0.6
95.04976	5.1
95.08592	2.6
97.02887	1.1
97.06535	1.0
99.08038	0.6
101.90452	0.5
103.05466	7.9
105.03384	1.7
105.04532	1.1
105.07029	7.6
106.04156	2.9
107.04956	58.1
107.08603	4.5
109.02850	0.8
109.06519	1.8
109.10123	1.2
111.04456	3.5
111.08076	1.4
115.05479	3.7
117.03378	51.5
117.07025	2.3
119.04950	1.5
119.08604	0.9
120.05717	2.1
121.02848	1.4
121.06520	3.9
121.10129	2.3
122.03672	1.0
123.04419	2.1
123.08044	0.6
124.05210	2.3
125.05967	3.3
127.52178	0.6
130.96321	1.1
131.04909	0.9
131.08574	1.9
133.02835	3.5
133.06532	1.3
133.10120	0.8
134.03638	10.0
135.04420	9.3
135.07100	1.3
135.08054	14.9
135.11710	3.6
137.05974	1.7
137.09586	1.0
138.06630	2.6
139.03915	2.7
139.07552	1.6
145.02846	86.7
147.04416	1.6
148.05171	0.7
148.97350	1.1
149.02374	1.1
149.05981	22.0
149.09607	2.7
149.13306	1.0
151.03979	0.9
152.04686	1.3
153.01846	3.9
153.05455	2.3
154.06262	3.7
159.11678	1.9
162.03069	2.8
163.03917	13.9
163.07529	19.5
165.05472	1.8
165.06847	0.7
167.03419	1.9
167.07053	22.5
171.98979	0.8
177.02022	2.1
177.05470	100.0
177.09056	2.7
177.12741	1.9
177.16408	0.7
180.07809	4.6
180.09164	0.8
186.05519	1.9
195.01146	1.3
195.02899	14.6
195.06566	8.1
195.08672	2.6
195.10216	21.1
195.12033	1.1
195.13866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.96365	1.3
53.03939	2.7
55.01855	1.8
55.05517	11.8
56.20766	1.1
57.07068	2.9
58.70663	1.2
59.04993	1.2
59.12066	1.7
65.03932	2.7
67.05177	1.3
67.05505	21.0
68.99761	1.6
69.07071	29.8
70.44327	1.3
71.04998	15.5
79.05143	1.4
79.05502	16.4
81.03401	3.3
81.07062	42.5
83.04974	2.2
83.08628	9.5
85.06544	11.7
91.05480	12.6
93.07046	27.5
95.04977	36.0
95.08056	2.5
95.08614	25.8
95.39870	1.4
97.06521	5.3
97.10171	8.0
98.21531	2.6
99.08074	5.8
103.05443	1.3
105.07041	26.4
107.08594	36.3
109.06524	100.0
109.10160	18.8
110.06797	1.3
111.00804	3.7
111.08086	9.1
111.11734	2.0
115.05500	2.6
119.07793	2.3
119.08591	29.5
121.10133	9.3
123.04414	3.1
123.08083	6.3
123.11723	20.6
129.07011	1.8
131.08533	2.4
133.06508	10.0
133.10136	28.3
135.11697	32.2
137.05930	2.4
137.09630	14.7
139.03906	2.5
146.97408	1.6
147.08063	1.9
147.11703	13.8
149.13274	9.2
151.11224	6.8
161.05971	6.0
165.09138	1.7
175.11224	1.3
175.14838	44.8
176.15176	1.6
178.02609	1.6
193.05035	11.7
193.06898	2.5
193.08611	13.0
193.10149	2.1
193.12279	6.5
193.15883	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.7
57.03418	3.7
57.07073	6.6
60.60502	2.3
67.05501	26.0
69.03433	10.9
69.07072	21.8
71.01501	3.6
71.01812	2.8
71.04988	4.0
79.05502	15.7
81.03411	8.8
81.07055	33.5
83.04995	23.1
83.08626	10.7
85.06551	5.6
91.05487	24.0
93.07049	23.3
95.04966	8.2
95.08611	54.7
97.06516	2.8
99.08096	4.8
103.05479	8.1
105.07037	74.7
107.04931	3.7
107.08608	40.3
109.06549	21.9
109.10161	69.6
111.08114	11.4
115.05471	9.3
116.01462	2.6
118.04173	6.6
119.04981	2.8
119.08584	50.1
121.06517	2.5
121.10143	29.1
123.08070	37.8
123.10920	2.4
123.11699	12.5
125.09627	3.8
131.04898	2.7
133.02861	2.9
133.06500	53.0
133.10156	43.1
135.08057	4.4
135.11703	55.2
137.05956	4.6
137.08624	4.0
137.09612	33.4
138.10367	5.0
143.06100	3.5
145.10196	3.0
147.11690	11.7
149.13271	10.5
151.11215	12.5
151.14796	7.4
154.86700	2.4
161.05988	45.9
165.05511	2.2
165.09158	7.4
175.03947	2.6
175.11179	5.0
175.14845	35.6
182.43459	2.6
193.05009	6.5
193.08607	24.6
193.12309	4.9
193.15906	100.0
195.37727	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03918	2.0
55.01856	4.3
55.05518	28.0
55.42215	2.2
57.07063	8.2
57.21273	1.9
58.29846	1.9
60.22116	2.0
62.75087	2.4
67.05503	23.8
69.03426	12.6
69.07066	20.4
71.04985	5.4
71.31113	2.6
71.31456	4.0
79.05505	18.7
81.03416	9.8
81.07059	35.7
83.04977	30.0
83.08630	13.6
85.06524	6.8
91.05495	15.2
93.07053	26.2
95.04959	7.7
95.08607	48.7
97.06511	4.1
97.10169	3.6
98.21011	2.8
99.08081	2.8
103.05466	6.6
105.07034	62.0
107.08604	38.1
109.06509	24.4
109.10156	67.0
111.08070	9.6
115.05444	8.0
118.04171	5.9
119.08584	53.2
121.10142	27.2
123.08071	41.7
123.11713	15.1
125.09679	3.9
128.13597	2.2
133.06496	39.6
133.10133	44.5
135.08026	3.6
135.11697	67.4
137.09616	30.8
138.10388	7.1
138.59814	2.4
147.11668	7.9
149.13261	15.8
151.11188	15.4
151.14792	7.9
161.05966	33.9
162.15808	2.0
165.09047	2.7
165.12708	2.4
175.11223	2.4
175.14830	42.6
193.04976	4.0
193.08611	16.8
193.12239	3.0
193.15892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03934	1.8
55.01873	1.7
55.05514	19.3
57.07060	6.3
58.66503	1.5
59.04998	1.6
67.05506	28.0
68.18821	1.5
69.03419	13.4
69.07070	21.9
69.51360	5.6
69.51785	5.6
71.04984	4.7
79.05491	8.5
81.07058	34.3
83.04983	25.9
83.08621	14.9
85.06532	6.2
91.05479	12.2
93.07050	20.4
95.04958	4.5
95.08607	58.5
97.06528	4.7
97.10175	2.5
99.08065	3.2
100.71711	1.5
103.05497	1.8
105.07036	26.3
107.08596	61.7
109.06516	16.0
109.10158	80.9
111.08073	10.1
117.06998	1.7
119.08583	63.2
121.10147	36.4
123.08073	42.3
123.11691	10.6
125.09631	3.4
128.47211	1.7
133.06523	7.4
133.10130	43.4
133.11082	3.0
134.64415	1.5
135.11697	100.0
137.09618	36.0
138.10371	4.7
145.10074	1.9
147.11671	3.5
149.13254	18.6
151.11201	10.8
151.14838	7.6
161.05974	4.4
165.16437	2.9
168.77620	1.8
175.14835	48.3
193.08609	2.4
193.15894	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72465	2.5
53.03938	4.3
55.05509	29.4
56.94573	2.4
57.07061	10.5
58.22509	2.8
59.04996	2.8
65.72282	2.8
67.05515	21.2
69.03431	12.4
69.07072	34.4
69.98043	4.9
69.98434	6.1
71.05003	5.0
79.05496	17.6
81.07056	29.7
83.04977	24.2
83.08624	15.4
85.06538	8.2
91.05484	16.1
93.07052	28.9
95.04972	12.6
95.08611	56.7
97.06534	17.7
97.10161	3.2
98.20674	2.5
98.21244	6.2
103.05447	6.8
105.07030	49.9
107.08596	56.8
109.06520	37.9
109.10158	69.5
111.08064	8.5
111.11728	3.6
115.05449	8.0
118.04149	3.4
119.08579	59.0
121.10146	28.2
123.08067	48.3
123.11684	12.8
133.06503	24.4
133.10143	58.6
135.11696	85.0
137.09612	40.2
138.10390	3.4
145.10175	2.8
147.11676	9.6
149.13242	15.7
151.11191	11.3
151.14818	10.9
161.05966	21.7
175.14833	59.5
193.04900	5.5
193.08575	14.4
193.15887	100.0
193.97488	3.0
211.70979	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.72465	2.5
53.03938	4.3
55.05509	29.4
56.94573	2.4
57.07061	10.5
58.22509	2.8
59.04996	2.8
65.72282	2.8
67.05515	21.2
69.03431	12.4
69.07072	34.4
69.98043	4.9
69.98434	6.1
71.05003	5.0
79.05496	17.6
81.07056	29.7
83.04977	24.2
83.08624	15.4
85.06538	8.2
91.05484	16.1
93.07052	28.9
95.04972	12.6
95.08611	56.7
97.06534	17.7
97.10161	3.2
98.20674	2.5
98.21244	6.2
103.05447	6.8
105.07030	49.9
107.08596	56.8
109.06520	37.9
109.10158	69.5
111.08064	8.5
111.11728	3.6
115.05449	8.0
118.04149	3.4
119.08579	59.0
121.10146	28.2
123.08067	48.3
123.11684	12.8
133.06503	24.4
133.10143	58.6
135.11696	85.0
137.09612	40.2
138.10390	3.4
145.10175	2.8
147.11676	9.6
149.13242	15.7
151.11191	11.3
151.14818	10.9
161.05966	21.7
175.14833	59.5
193.04900	5.5
193.08575	14.4
193.15887	100.0
193.97488	3.0
211.70979	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	4.4
53.23782	1.2
55.01870	3.0
55.05521	12.8
57.03428	5.3
57.07073	4.2
59.04982	3.8
65.03919	2.3
67.05177	1.9
67.05513	33.2
69.03426	2.5
69.07079	10.9
69.66376	6.7
69.66803	2.1
71.04982	4.4
79.05502	24.2
81.03401	3.4
81.07067	17.9
83.04979	4.5
83.08619	2.9
85.06552	24.1
91.05489	57.5
93.07055	24.8
95.04990	7.6
95.08615	20.5
96.81355	1.1
97.06524	1.6
97.10107	1.6
98.20930	3.8
99.08101	100.0
103.05474	14.3
105.07041	97.7
107.04939	2.1
107.08609	28.3
109.06521	9.7
109.10165	63.0
111.08102	2.2
115.05467	19.2
117.07064	1.7
118.04162	7.3
119.04945	1.4
119.08578	16.3
121.06577	2.2
121.10159	8.8
123.04431	1.4
123.08071	11.5
123.11750	7.2
131.04909	3.9
132.05696	1.3
133.06505	67.8
133.09229	2.3
133.10150	28.6
135.08102	1.4
135.11696	29.3
137.05977	3.5
137.09634	23.8
138.10384	3.1
143.04974	1.9
143.06036	5.6
147.04448	2.0
147.08012	2.8
147.11700	7.3
149.02252	1.6
149.05978	2.0
149.13278	2.0
150.06728	1.3
151.07532	2.3
151.11168	8.9
161.05994	73.5
162.06409	2.6
163.76926	1.3
165.05498	2.8
165.06940	1.8
165.09134	3.7
165.16434	3.4
175.03973	1.9
175.07494	1.9
175.11067	2.8
175.14879	9.4
193.05008	11.3
193.06805	3.1
193.08630	25.4
193.12271	4.7
193.15906	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03951	1.9
55.01873	1.5
55.05510	7.7
55.82828	1.1
57.03440	1.8
57.07066	2.4
59.05004	1.6
63.09346	0.9
65.03929	1.5
67.05163	1.2
67.05508	16.3
69.03417	1.9
69.06720	1.4
69.07072	20.5
69.41546	1.0
69.71239	4.5
71.04994	1.7
79.05501	8.5
81.03426	2.7
81.07063	47.6
83.04982	1.3
83.08608	4.6
91.05489	15.6
93.07051	19.0
95.04961	3.5
95.08614	38.5
97.06536	2.2
97.10175	1.6
98.20872	1.9
98.21471	1.4
103.05481	1.1
105.07038	74.4
107.04934	1.3
107.08606	22.0
109.06538	6.6
109.10157	17.7
111.00795	0.8
115.05439	1.1
117.07001	2.9
119.08588	64.0
121.06532	1.5
121.10162	3.7
123.04420	1.3
123.08049	2.1
123.11707	2.0
131.08560	4.6
132.09346	1.9
133.06551	4.1
133.10139	46.3
135.11713	4.4
136.07672	0.9
137.05959	2.0
137.09631	4.8
145.10152	1.8
146.10902	1.5
147.08041	1.7
147.11707	12.2
149.13283	4.6
151.11186	1.2
161.06009	3.7
165.09100	2.7
175.07608	1.3
175.14838	100.0
176.15202	1.9
189.02852	0.9
193.05016	4.9
193.07019	0.7
193.08603	4.9
193.10210	1.0
193.12233	3.1
193.15897	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	2.6
55.01869	5.7
55.05515	19.5
57.03432	2.0
57.07070	6.5
59.04994	4.6
61.89443	1.7
65.03946	2.9
67.05508	34.8
69.07060	11.5
69.90350	7.6
71.04989	6.3
79.05497	25.1
81.06623	3.1
81.07058	20.3
83.01317	2.8
83.04984	4.4
83.08620	5.8
85.06549	23.3
85.10191	2.1
86.57572	1.7
88.76627	2.2
91.05484	33.0
93.07043	24.1
95.04959	8.4
95.08615	26.0
97.06552	2.3
99.08096	100.0
103.05470	11.6
104.06272	1.9
105.07035	86.1
107.08583	26.9
109.06528	12.9
109.10160	66.9
115.05456	15.4
118.04188	9.6
119.04968	2.6
119.08591	21.6
121.06494	1.9
121.10140	8.7
123.08063	11.5
123.11728	11.9
125.13198	1.9
128.59770	1.8
131.04942	3.3
131.08565	3.8
133.02907	2.1
133.06502	60.9
133.10138	40.6
135.08054	4.0
135.11699	31.3
137.05943	3.2
137.09627	24.6
138.10342	2.3
143.04953	2.5
143.06059	4.9
147.04405	3.0
147.08092	5.7
147.11710	8.8
149.02321	8.6
149.13297	3.0
151.03874	2.5
151.07486	3.2
151.11241	9.0
151.14787	2.5
161.05995	57.2
165.05482	3.5
165.09155	3.4
165.16420	3.2
175.07533	3.8
175.11214	6.3
175.14825	13.3
178.02705	2.4
193.03435	2.5
193.05035	10.1
193.06955	3.6
193.08617	22.2
193.12250	7.2
193.15901	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02382	0.9
53.03947	4.6
53.73702	0.7
55.01878	7.0
55.05515	12.3
57.03434	4.2
57.07074	1.5
65.03942	4.2
66.04717	0.8
67.05506	34.2
69.03435	3.5
69.07076	5.3
69.53294	2.7
69.53707	1.4
71.01360	1.4
71.04990	3.0
72.15225	0.6
75.91840	0.6
77.03970	1.1
79.05498	31.7
81.03422	100.0
81.07062	22.7
81.07435	0.5
83.04989	7.9
83.08625	13.3
85.02914	0.8
85.06535	0.9
91.05485	38.5
93.07043	17.6
94.04237	0.8
95.04974	47.7
95.08611	12.7
97.02896	4.2
97.06535	2.8
97.10173	1.0
98.21136	2.5
99.04473	0.8
103.05470	10.6
104.06264	1.4
105.03381	1.2
105.07036	85.7
106.07391	1.1
107.04960	12.0
107.08599	8.7
109.02937	1.1
109.06525	7.1
109.10176	6.5
111.04467	4.2
111.08102	2.8
113.03544	0.7
115.05462	15.1
116.06175	0.9
117.07015	2.6
118.04158	8.6
119.04941	2.2
119.08583	17.6
121.06519	5.6
121.10131	4.6
122.03683	0.8
122.07278	1.0
123.04429	8.8
123.08111	4.1
123.08896	0.8
123.11717	2.5
128.06235	1.3
129.07005	9.7
131.04971	2.3
131.08583	9.8
132.05704	2.2
133.02890	1.3
133.06499	61.9
133.10136	18.3
135.04407	0.9
135.08073	3.2
135.11697	4.6
137.05969	4.7
137.09604	3.3
137.13268	1.3
142.07803	4.4
142.21233	0.7
143.04965	1.3
143.06068	4.0
145.10129	1.5
146.97438	0.8
147.04494	0.9
147.08069	8.0
147.11697	12.8
147.12798	1.1
149.02374	1.8
149.05913	1.3
149.09647	7.7
149.13245	0.9
150.06793	4.2
151.07568	1.8
151.11191	1.4
157.10152	9.4
161.05989	49.8
165.05537	0.8
165.09160	5.3
165.12749	1.9
175.07655	1.4
175.11197	14.0
175.14807	4.9
178.02592	1.2
178.06273	1.2
178.07701	1.2
184.39848	0.6
193.05003	7.7
193.06615	1.1
193.06987	0.7
193.08620	23.2
193.12248	49.5
193.15906	4.0
193.19505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02379	1.0
53.03949	4.3
55.01869	6.9
55.05511	10.4
57.03436	4.5
57.07068	1.4
65.03943	2.4
66.04739	0.8
67.05504	27.6
69.03423	4.5
69.07061	5.8
69.69225	2.4
69.69652	1.6
71.01343	0.6
71.04990	3.2
71.98470	0.6
77.03917	1.1
78.63750	0.5
79.05493	31.5
79.09621	0.6
80.05837	1.0
81.03417	87.8
81.07056	20.0
81.07516	1.3
83.01315	0.6
83.04970	7.3
83.08614	10.8
85.02900	0.8
85.06557	2.1
90.04711	0.7
91.05479	32.1
93.07042	14.8
94.04204	1.0
95.04969	43.8
95.08601	9.9
97.02896	2.8
97.06536	3.0
97.10146	1.1
98.21348	1.3
99.08096	2.4
103.05468	14.7
104.06255	2.4
105.07030	100.0
106.07378	1.2
107.04955	10.6
107.08597	10.0
109.02888	1.5
109.06520	9.2
109.10162	9.0
111.04452	2.4
111.08093	3.7
115.05455	18.8
117.07002	1.3
118.04156	11.2
119.04958	3.0
119.08577	23.5
121.06508	4.6
121.10134	6.0
122.07269	0.9
123.04453	1.7
123.08073	5.2
123.11732	3.2
127.03876	0.6
129.07013	7.7
131.04930	3.7
131.08566	7.4
132.05708	2.4
133.02832	2.0
133.06491	74.5
133.10126	15.9
135.04402	1.4
135.08064	2.0
135.11716	6.4
137.05983	4.2
137.09636	5.1
142.07784	3.8
143.04980	1.2
143.06029	4.5
145.10095	0.9
146.97478	1.4
147.04399	2.6
147.08037	5.5
147.11684	13.0
148.07405	0.6
149.02377	1.4
149.05959	2.0
149.09654	3.5
149.13269	2.3
150.06760	1.6
151.03873	3.6
151.07460	1.3
151.11139	1.2
151.31554	0.7
157.10135	6.1
160.05202	0.9
161.05980	67.4
165.05511	3.6
165.09120	4.6
165.12769	1.4
175.03928	0.9
175.07526	1.3
175.11182	9.0
175.13474	1.0
175.14836	12.2
178.02708	1.0
178.06247	1.7
178.07753	0.8
193.03293	0.9
193.05026	9.1
193.07016	1.2
193.08603	32.6
193.10088	1.1
193.12239	17.4
193.15895	13.7
193.17650	0.9
194.48798	0.6
195.67070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.73434	1.0
53.03955	5.1
55.01879	6.8
55.05507	5.9
55.34231	1.0
55.99867	0.9
57.03439	29.4
65.03929	2.9
67.05171	1.1
67.05506	15.7
69.03405	2.9
69.07060	1.9
71.04983	1.9
77.03925	1.2
79.05061	1.8
79.05495	28.1
81.03421	32.1
81.07057	10.2
83.04982	4.6
83.08606	2.9
85.06525	2.8
91.05483	36.9
93.06471	1.3
93.07049	24.5
95.04967	20.0
95.08595	6.2
97.02908	1.1
97.06549	2.4
99.08044	1.0
103.05474	16.0
104.06239	1.4
105.07034	100.0
106.07364	0.9
107.04951	8.8
107.08591	7.4
109.02829	1.1
109.06516	7.1
109.10168	7.9
111.04410	2.0
115.05450	14.3
117.06995	3.3
118.04156	12.6
119.04909	2.8
119.08584	39.3
120.05745	1.2
121.06516	23.3
121.10138	3.7
122.07272	3.2
123.04420	3.4
123.08045	1.9
129.06979	4.4
131.04927	3.9
131.08571	4.9
132.05673	1.9
133.06493	68.8
133.09245	1.6
133.10143	23.3
134.07118	0.9
135.04417	4.2
135.08049	6.0
135.11699	1.4
137.05975	10.6
137.08633	1.4
137.09616	14.5
142.07751	4.2
143.04959	1.6
143.06032	2.5
145.06461	1.7
145.10130	1.9
146.07260	2.7
146.97481	1.5
147.04370	1.1
147.08081	9.2
147.11671	21.6
148.05164	1.9
149.06021	2.1
149.09599	2.9
150.06769	7.5
151.07538	1.5
157.10109	5.4
160.08841	3.0
161.05991	50.0
162.06355	1.2
165.05431	1.4
165.09113	17.7
165.12804	1.9
169.29117	0.9
175.07614	1.4
175.11192	20.4
175.14830	2.9
178.02597	1.3
178.06290	2.1
193.05011	8.1
193.06830	2.3
193.08594	26.3
193.10162	1.3
193.12256	23.6
193.15904	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03936	3.2
55.01886	4.3
55.05303	0.9
55.05515	10.6
57.03445	5.5
57.07065	1.0
59.04993	2.0
61.24621	0.8
65.03945	1.6
67.05515	7.5
69.03439	4.7
69.07072	5.9
70.70653	1.6
70.71015	1.8
71.04971	1.9
75.03905	0.8
77.03914	1.0
79.05493	20.8
81.03441	1.3
81.07064	18.3
83.04985	7.9
83.08622	1.5
85.02905	1.9
85.06563	1.5
90.04705	1.0
91.05481	18.9
93.07043	6.8
95.04979	6.8
95.08618	5.6
97.02859	1.1
97.06526	1.3
98.21033	0.9
103.05478	12.2
104.06259	1.5
105.07035	100.0
107.04965	3.1
107.08588	9.3
109.06528	33.3
109.10134	3.9
111.04414	0.9
111.08081	2.1
115.05460	19.3
117.07038	1.8
118.04163	9.3
119.04981	1.9
119.06049	0.8
119.08589	25.8
121.06516	4.6
121.10110	1.9
123.04420	2.8
123.08079	7.7
123.11726	2.7
129.07021	1.5
131.04922	3.6
131.08603	2.1
132.05670	1.9
133.02859	3.5
133.06502	76.0
133.10143	18.7
134.06848	0.9
135.08060	38.2
137.05986	9.0
137.09636	7.4
137.42683	0.9
138.06828	1.3
139.07568	4.0
139.44775	0.8
142.07788	2.3
143.04956	1.7
143.06052	4.7
145.06473	3.1
145.10112	1.0
146.03690	1.0
146.07280	2.2
146.97432	1.5
147.04431	3.6
147.08057	5.4
147.11694	12.5
148.07465	1.4
149.05998	1.8
149.09688	1.3
150.80722	0.8
151.03877	1.2
151.07549	10.3
151.11209	12.4
153.15967	0.8
157.10153	2.1
160.05209	0.8
160.08847	7.5
161.05994	81.7
162.06354	1.5
165.05528	2.2
165.06921	0.9
165.09109	1.3
165.12746	2.7
175.03906	2.2
175.07579	2.3
175.11192	29.7
175.14752	1.8
178.02602	2.4
178.06300	0.8
193.05003	13.8
193.06876	2.4
193.08571	16.5
193.12260	41.9
193.15906	4.9
193.17412	1.0
194.12642	1.2
196.13289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
55.01882	1.3
55.05502	1.7
58.74212	0.8
65.03941	2.1
67.05507	61.8
68.05113	0.8
68.99795	18.4
69.25072	8.8
79.05479	3.9
81.03412	2.9
81.07062	6.0
83.08616	0.9
88.56729	0.9
91.05489	5.4
93.07033	3.2
95.04951	1.5
95.08615	4.5
98.20853	3.1
98.21529	1.4
105.07018	6.1
107.08584	2.1
109.06541	5.7
109.10132	2.2
111.00810	57.6
111.04395	1.7
119.08601	4.5
121.10179	0.9
122.97609	0.8
123.04429	5.4
123.08109	1.1
127.03944	5.8
133.06465	3.1
133.10121	3.2
135.11658	2.1
137.05959	2.8
139.03906	55.0
147.08038	1.2
147.11684	1.3
150.30119	0.9
151.03934	1.5
161.05986	1.6
165.05455	1.8
165.09126	2.0
175.07513	1.6
175.14816	2.6
193.04929	4.0
193.08617	100.0
193.12180	4.7
193.15909	3.3
193.17686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
53.03946	1.4
55.01877	1.9
55.05502	1.6
65.03925	2.2
66.79263	1.0
67.05504	64.3
68.99432	1.5
68.99788	20.6
69.03440	1.0
71.58217	1.3
71.58607	1.3
72.26492	1.1
79.05484	4.1
81.03407	5.9
81.07034	4.5
83.04996	1.7
87.13211	1.0
91.05473	4.5
93.07008	1.3
94.60772	1.1
95.04955	4.3
95.08602	3.0
102.10072	0.9
105.07017	4.4
109.02940	1.0
109.06530	7.6
111.00806	62.9
111.04400	2.0
119.08563	3.5
123.04403	7.2
123.08054	1.2
127.03917	6.6
128.52602	1.0
133.06464	2.8
133.10069	2.3
137.05974	3.4
137.09601	2.2
139.03902	60.5
147.07993	1.7
149.87175	1.2
151.03914	2.7
157.10164	1.2
161.05992	4.2
165.05481	1.9
165.09135	3.9
175.07471	2.6
175.11215	1.6
178.07774	1.5
192.95313	1.0
193.05087	4.7
193.08600	100.0
193.10020	4.0
193.12186	8.4
193.15942	1.7
193.17719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
55.01859	2.0
55.05516	0.6
65.03937	3.1
67.05506	58.9
68.05844	0.7
68.99429	1.2
68.99791	17.7
69.03413	0.8
70.83617	0.7
70.83961	1.4
71.04958	0.7
74.70251	0.7
79.05492	3.3
81.03413	3.6
81.07056	3.2
83.04981	1.7
91.05482	3.1
93.07016	1.1
95.04949	2.5
95.08606	1.4
103.05474	0.7
105.07021	5.2
107.04942	1.0
107.08595	0.9
109.02868	1.1
109.06525	5.5
111.00808	59.6
111.04429	2.1
112.56333	0.7
114.82574	0.6
119.08582	2.0
123.04429	8.2
123.08083	0.9
127.03930	6.5
129.06972	0.9
133.06474	2.7
133.10101	2.0
137.05992	1.9
139.03908	64.0
147.08049	1.7
147.11662	1.0
151.03912	3.4
151.07512	1.4
161.05966	2.4
165.05475	3.4
165.09117	2.0
175.07556	1.4
175.14857	1.1
193.05087	3.6
193.08617	100.0
193.12173	6.5
194.08951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
53.03937	1.0
55.01852	0.8
55.05494	0.9
55.24677	0.7
65.03939	2.4
67.05505	65.9
68.99430	1.2
68.99790	19.5
70.82256	0.8
70.82585	1.8
76.09783	0.7
79.05484	3.2
81.03394	2.7
81.07034	3.1
91.05479	2.9
93.07042	1.4
95.04966	2.4
95.08613	1.1
98.21024	1.0
101.33149	0.7
105.07029	3.3
109.02856	1.6
109.06525	6.4
110.46150	0.8
111.00808	70.8
111.04458	2.3
119.08577	2.7
123.04436	6.4
123.08034	1.1
124.38266	0.8
127.03912	6.3
127.18847	0.9
133.06471	1.5
133.10092	1.4
137.05962	1.9
139.03906	61.8
140.04231	0.9
147.08046	1.2
147.11707	1.5
151.03865	2.2
165.05440	2.2
165.09094	1.9
175.07487	1.5
175.11098	0.8
193.04939	3.1
193.08609	100.0
193.12190	3.7
194.09029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
55.01866	1.8
55.05508	1.3
56.98966	0.7
58.08812	0.6
65.03931	3.1
67.05508	64.5
68.99795	21.8
69.03406	0.8
69.86798	2.5
69.87202	1.7
77.66727	0.6
77.94985	0.7
79.05479	3.8
81.03422	7.3
81.06638	0.7
81.07047	4.7
83.04977	0.8
83.08648	1.5
91.05483	3.5
93.07032	2.0
95.04973	3.8
95.08592	2.7
98.20942	1.3
98.21489	1.0
105.07025	3.6
105.92379	0.7
107.08599	0.9
109.02825	0.8
109.06514	6.0
109.10075	0.7
111.00810	62.6
111.04408	1.4
114.60884	0.7
119.08559	3.2
123.04443	6.6
123.08081	1.3
125.66885	0.7
127.03925	7.6
129.07059	0.9
131.08571	0.8
133.06505	2.1
133.10127	1.9
137.05994	1.3
139.03908	62.2
142.07864	0.7
147.08038	1.5
147.11667	1.4
148.07491	0.8
151.03903	2.1
151.07584	1.1
161.05927	1.7
165.05493	2.6
165.09116	1.7
175.07582	0.9
175.11224	0.8
178.07866	1.1
193.05171	3.4
193.08614	100.0
193.12227	6.7
194.08890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
53.12081	0.7
55.01858	2.7
55.05499	2.0
60.59281	0.5
65.03928	3.1
67.05507	69.2
68.99792	24.7
69.03421	0.9
69.07056	1.0
69.57842	2.9
69.58261	1.5
71.04977	0.6
79.05495	5.4
81.03419	12.0
81.07055	6.1
83.04968	1.8
83.08617	2.2
88.81680	0.6
88.99231	0.6
90.08032	0.6
91.05478	7.0
93.07038	2.9
95.04973	6.9
95.08608	2.6
95.81223	0.6
97.02844	0.7
98.20858	1.5
98.21465	1.1
99.38972	0.8
100.53333	0.5
103.05476	1.4
105.07030	9.7
107.04974	1.5
107.08580	2.2
109.02869	2.3
109.06534	7.3
109.10172	1.7
111.00808	71.8
111.04428	3.0
115.05454	1.5
118.04194	0.6
119.04939	1.4
119.08562	4.0
123.04435	12.4
127.03899	7.4
129.06976	1.3
133.02892	0.8
133.06482	4.6
133.10124	2.1
135.11700	0.9
137.05991	5.1
137.09599	1.0
139.03905	79.5
140.04170	0.6
147.04414	1.0
147.08087	3.2
147.11691	2.1
148.77670	0.8
149.05994	0.9
151.03940	3.6
151.07607	0.9
151.11086	0.7
157.10066	0.9
161.05986	3.5
165.01817	0.8
165.05495	3.5
165.09106	2.9
169.99040	0.9
175.07555	2.6
175.11192	1.9
175.14899	1.3
193.05008	10.2
193.08607	100.0
193.12230	19.9
193.15878	1.9
193.17648	0.8
194.08981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Dictafolin A
Peak:m/z	Relative Intensity
53.03952	1.1
55.01867	2.3
55.05513	5.0
57.03426	1.3
57.07053	1.3
65.03941	2.9
67.05507	55.7
68.99791	21.6
69.03432	1.6
69.07076	5.1
70.72672	1.8
79.05492	7.4
81.03438	4.1
81.07061	15.3
83.04982	1.5
83.08628	1.6
91.05488	8.7
93.07043	6.3
95.04985	6.0
95.08619	10.6
95.09180	1.3
103.05476	2.2
104.06275	0.8
104.97716	0.8
105.07037	31.3
107.04964	3.1
107.08597	5.4
109.02895	0.9
109.06537	8.2
109.10152	3.6
111.00812	54.7
111.04459	3.3
111.08073	0.9
115.05453	3.8
117.07035	1.6
118.04176	1.3
118.92993	0.6
119.04958	1.1
119.08591	16.9
121.06490	0.8
121.10158	1.4
123.04434	27.0
123.08055	2.3
124.05247	1.0
125.05982	1.2
127.03924	6.2
129.06998	1.6
131.08597	1.9
132.05724	1.0
133.06503	11.1
133.10143	13.1
135.11652	1.5
137.05984	18.8
137.09610	2.4
139.03908	73.8
140.04247	0.9
143.06017	0.9
147.08054	3.1
147.11646	4.0
149.02348	6.5
149.09492	0.9
149.13251	1.3
150.06755	1.1
151.03911	8.2
151.07536	1.0
151.11121	1.0
153.05484	5.4
157.10112	1.1
160.05264	1.1
161.06007	8.1
163.03935	2.2
164.04648	1.3
165.05492	7.5
165.09128	10.0
175.07581	2.9
175.14835	22.7
178.06334	1.2
193.05054	5.8
193.08620	100.0
193.15871	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	193.086
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
53.03943	2.1
55.01859	2.7
55.05518	6.6
57.32855	0.8
65.03928	3.7
67.05506	70.2
68.99435	1.2
68.99794	20.6
69.03413	1.1
69.07053	3.2
71.04958	1.1
79.05495	11.5
80.62028	0.7
81.03419	8.1
81.07061	40.5
83.04974	1.9
83.08621	10.3
87.30270	0.8
91.05479	9.1
93.07037	6.4
95.04993	4.3
95.08602	12.8
97.06520	2.1
98.20866	4.4
99.08092	5.0
103.05480	1.3
105.07028	12.3
107.04941	1.5
107.08585	4.1
109.02878	1.4
109.06513	8.3
109.10168	4.9
111.00808	65.4
111.04430	2.6
111.08093	2.7
114.13960	1.0
115.05452	1.0
119.08594	7.0
121.10134	2.2
123.04434	8.5
123.08032	1.3
123.11719	1.0
127.03917	6.4
129.07047	1.0
131.08572	1.6
133.06522	4.3
133.10132	7.2
135.11671	2.3
137.05978	3.6
137.09665	1.9
139.03903	74.8
140.04233	1.0
146.97438	1.2
147.08020	1.2
147.11658	3.6
151.03888	2.5
161.05971	2.8
165.05473	2.1
165.09094	2.4
175.07552	1.8
175.11238	1.7
175.14848	8.9
177.05360	0.9
178.02692	0.7
190.86060	0.8
193.05042	8.1
193.08606	100.0
193.12221	13.5
193.15829	13.7
194.08882	2.1
195.58272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Isomyristicin
Peak:m/z	Relative Intensity
53.03950	1.2
55.01867	2.7
55.05511	2.4
57.03444	0.7
65.03957	2.7
67.05506	64.3
68.99796	21.1
69.00169	1.1
69.03452	1.2
69.07070	0.9
69.25098	0.5
69.27826	3.2
69.28240	1.7
71.01368	0.6
71.04994	0.7
72.34671	0.4
79.05495	7.1
81.03417	10.3
81.07060	7.2
83.05004	1.4
83.08624	2.3
90.67651	0.5
91.05477	8.3
93.07032	3.0
95.04965	7.4
95.08620	3.5
95.09148	0.5
97.02903	0.9
98.21136	2.6
103.05492	2.4
105.07030	19.0
107.04956	1.6
107.08621	3.1
109.02850	0.9
109.06522	8.5
109.10146	1.2
111.00806	63.1
111.04420	2.5
111.08084	1.0
115.05473	2.2
117.07008	0.9
118.04160	2.1
119.04910	0.9
119.08604	5.6
120.08072	0.6
121.06516	1.0
121.10178	1.5
122.76378	0.5
123.04428	24.3
123.08071	1.7
123.11739	0.9
127.03924	6.2
129.07010	2.2
131.08571	1.6
132.05702	0.8
133.02887	1.1
133.06494	13.7
133.07382	0.6
133.10139	5.7
135.08054	1.0
135.11720	1.8
137.05971	6.2
137.09634	0.6
139.03905	79.6
143.06042	0.7
146.97441	1.7
147.04443	1.1
147.08057	3.9
147.11691	2.6
148.07484	0.6
149.07912	1.2
149.09618	1.4
150.06760	0.6
151.03900	4.7
151.07550	1.4
151.11160	0.7
157.10143	1.6
161.06006	9.8
164.04698	1.2
165.05469	9.7
165.09120	4.3
175.07492	3.5
175.08810	0.5
175.11188	2.2
175.14836	2.0
178.02612	1.0
178.06219	0.6
185.51054	0.6
193.05078	5.6
193.08607	100.0
193.12215	10.5
193.15793	3.5
194.08965	1.7
210.56052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
51.02371	1.3
53.03940	3.7
55.01859	5.8
55.05502	3.5
57.03413	3.7
65.03933	3.1
67.05510	10.2
69.03420	2.9
69.07063	2.2
69.92447	6.5
71.04985	2.0
79.05057	2.2
79.05493	32.5
81.03421	12.4
81.07045	9.3
82.73899	1.3
83.01325	4.1
83.04966	1.8
83.08608	2.7
87.44679	1.1
90.04669	1.4
91.05484	33.9
92.06260	2.2
93.07059	7.5
94.04181	2.0
95.04972	10.8
95.08619	6.5
98.21288	2.1
101.76626	1.0
103.05469	24.3
104.06242	4.6
105.03400	1.2
105.07034	87.2
107.04952	15.2
107.08580	4.1
109.06532	6.9
109.10154	8.7
111.00797	1.4
111.04446	2.7
115.05463	10.2
117.07027	5.5
118.04163	15.1
119.04966	6.1
119.08582	18.0
120.05705	4.5
121.06535	9.0
121.10152	1.9
122.03661	2.1
122.07326	6.3
123.04424	2.5
123.08106	5.5
123.11706	2.1
124.05180	1.4
125.05982	1.9
128.06232	2.6
129.06967	4.1
131.04930	3.1
131.08546	1.5
132.05724	6.5
133.02852	1.5
133.06499	66.3
133.10114	7.1
134.07257	3.7
135.04413	6.6
135.08066	8.9
135.11656	1.4
137.05984	23.0
137.09615	10.1
139.03822	2.2
146.97455	2.8
147.04376	1.3
147.08051	34.1
147.11746	5.7
148.05177	4.7
149.02342	3.3
149.05980	3.7
150.06773	19.9
151.07527	3.3
157.10104	1.8
161.05984	18.3
162.29132	1.0
165.09120	100.0
166.09505	1.5
175.07558	30.2
175.11047	2.4
175.14825	2.6
177.05452	2.0
178.02670	1.7
178.06322	12.2
178.07764	1.9
193.05029	14.5
193.07092	2.9
193.08611	85.9
193.10042	3.1
193.12186	11.5
193.15906	6.4
194.09036	1.4
203.82614	1.2
212.93933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	4-METHYLDAPHNETIN
Peak:m/z	Relative Intensity
51.95272	0.1
53.03926	0.2
55.01873	0.6
55.05510	0.4
57.16510	0.1
65.03923	0.2
67.01871	2.9
67.05513	0.9
68.99790	1.3
69.03436	0.1
69.07059	0.4
69.62793	0.1
71.56886	0.2
79.05499	1.4
81.03418	1.0
81.07058	0.9
83.04980	0.1
83.08614	0.2
85.02904	1.6
91.01841	0.3
91.05482	2.6
93.07055	0.8
95.04958	0.8
95.08619	0.7
97.02869	0.2
99.08089	0.4
103.04852	0.2
103.05476	1.3
105.03399	0.2
105.07034	10.3
107.04941	0.4
107.08589	0.8
109.02891	0.6
109.06515	0.4
109.10151	0.7
115.05467	1.9
118.04169	0.9
119.04945	0.6
119.08583	1.4
121.06574	0.2
121.10152	0.3
123.04388	0.2
123.08054	0.3
123.11665	0.2
124.05183	0.2
125.02390	0.2
125.05994	1.5
127.03916	1.0
128.28323	0.1
129.06975	0.1
131.04945	0.4
131.08563	0.5
132.05688	0.2
133.02846	0.4
133.06500	6.9
133.10136	6.0
133.10892	0.1
135.08029	0.2
135.11710	0.4
137.05968	0.9
137.09613	0.4
143.05031	0.2
143.06010	0.6
145.10182	0.1
146.97383	0.2
147.04424	2.5
147.06282	0.2
147.08037	0.4
147.10837	0.1
147.11711	1.5
149.02353	0.2
149.05975	0.2
149.09610	0.2
149.13402	0.1
151.03915	1.4
151.07547	0.2
151.11169	0.3
153.01831	2.7
161.05994	6.9
165.05528	0.7
165.06837	0.2
165.09085	0.3
169.04973	1.2
171.02916	0.2
175.03944	0.6
175.07545	0.4
175.11229	0.6
175.14835	0.4
178.02618	0.3
178.06232	0.2
193.04974	100.0
193.12138	1.3
193.15926	0.9
194.05280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0656
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
51.02409	0.3
52.03172	1.2
54.46539	0.2
66.04745	0.3
69.61523	1.0
69.61946	0.5
74.72626	0.2
76.63085	0.2
79.04226	1.4
79.05489	0.3
82.23811	0.2
91.05493	1.1
93.05795	2.2
95.03748	0.3
95.91469	0.2
98.20724	0.3
98.21307	0.7
103.04201	2.1
103.05485	0.4
105.07053	1.0
106.02918	0.3
108.04497	2.1
118.04214	0.2
118.06573	0.3
119.04976	0.4
121.05273	0.9
131.03693	1.0
132.04462	1.7
132.08899	0.3
133.06512	1.0
133.65762	0.3
136.07587	0.3
146.06018	3.5
148.03925	0.2
148.07607	0.6
149.04700	0.3
153.96034	0.2
160.03920	0.5
161.05969	0.8
163.94867	0.2
174.13531	0.3
177.04219	74.5
178.04593	0.6
192.06555	100.0
193.06831	0.9
193.08510	0.3
207.05652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09372	1.1
53.03937	2.9
55.05513	23.8
57.07080	7.0
65.03931	1.5
67.05506	23.5
69.03419	3.3
69.07069	43.6
69.64979	4.3
69.65397	2.1
79.05051	2.0
79.05496	27.8
81.07059	44.4
83.04979	3.1
83.08203	1.4
83.08628	17.0
86.04823	1.1
91.05485	13.6
93.07045	66.0
95.04952	2.8
95.08608	69.9
97.06506	1.3
97.10184	13.8
98.21460	2.4
105.07033	14.2
107.04938	2.6
107.08598	95.6
109.06510	3.0
109.10159	55.7
109.10916	2.7
115.05453	1.4
117.06995	3.6
119.08591	6.6
121.06513	3.0
121.10149	75.0
123.08073	2.2
123.11704	9.0
131.04956	1.5
131.08569	9.1
133.10141	5.9
135.08084	10.2
135.11699	100.0
145.10104	8.0
146.06012	1.6
147.11681	4.0
148.05173	1.6
149.02316	1.3
149.09624	3.2
149.13271	20.1
156.07979	1.6
161.09636	1.5
163.07597	1.5
163.11243	2.2
163.14812	3.6
173.09612	2.4
173.13284	8.1
179.00610	1.2
191.06947	8.8
191.08521	1.3
191.10730	6.6
191.14311	33.6
191.17955	74.9
192.06592	2.6
192.08374	1.6
192.13893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05511	16.1
55.09252	1.9
57.07051	4.0
67.05509	14.8
69.03404	2.7
69.06716	3.0
69.07066	33.5
71.57517	2.8
79.05488	14.5
81.07056	16.9
83.04989	2.4
83.08620	14.1
91.05472	9.7
93.07045	43.5
95.04984	3.0
95.08611	68.9
97.10173	4.9
105.06998	5.8
107.08598	54.7
109.10152	28.4
117.06873	2.4
118.06531	3.4
118.97041	2.1
119.08582	3.3
121.10144	64.0
123.11694	5.5
127.73383	2.0
131.08592	3.8
135.08011	7.0
135.11702	51.5
137.06071	2.3
145.10110	3.9
146.06027	5.3
147.11699	2.5
148.07582	6.4
149.13232	13.1
163.11203	4.5
173.09560	2.6
173.13286	6.8
176.08255	2.1
191.06906	12.2
191.08624	2.8
191.10625	15.6
191.14290	13.7
191.17952	100.0
192.06500	7.5
193.46988	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.79745	0.7
53.03938	1.4
55.05516	15.9
57.07077	4.7
60.00526	0.7
65.03946	0.9
67.05506	16.4
68.99837	0.7
69.03426	1.5
69.07066	22.8
71.08613	1.2
71.15988	1.6
79.05493	26.2
81.07056	100.0
82.07411	1.0
83.04980	2.6
83.08614	10.8
91.05474	8.7
93.07045	46.2
95.04990	3.4
95.08607	46.4
97.10172	6.9
103.05479	1.0
105.07030	8.8
107.04962	1.3
107.08595	65.9
108.08876	0.8
109.06506	1.9
109.10155	39.5
110.10476	1.1
111.11707	1.5
115.05480	1.1
117.06998	2.0
118.06529	1.0
119.08555	2.8
121.06513	2.6
121.10142	40.5
123.08092	1.3
123.11729	5.0
131.08554	3.8
133.10112	4.7
135.08087	5.5
135.11691	66.5
136.12085	1.2
145.10135	4.0
146.06050	0.8
147.11679	2.9
148.05162	0.7
148.07549	1.0
148.08810	0.8
149.05960	1.2
149.09615	2.5
149.12154	1.5
149.13252	11.7
158.10893	0.9
161.09622	0.9
163.11205	1.6
163.14809	2.3
173.09669	1.4
173.13264	4.6
176.04681	1.3
176.08095	0.7
191.06993	15.5
191.08527	1.2
191.10655	4.5
191.14316	22.2
191.17952	51.6
192.06409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03950	1.0
53.72520	0.8
55.05510	13.7
57.07063	2.6
67.05505	11.6
69.07069	31.0
69.09699	0.7
69.83147	4.7
75.50771	0.8
79.05492	12.5
81.07059	12.9
83.08624	13.5
91.05479	7.6
93.07047	43.8
95.04975	1.5
95.08607	61.5
97.10184	6.9
98.20818	1.1
98.21355	1.5
103.05418	1.0
105.07032	6.6
107.08597	41.2
109.10155	30.2
111.11726	1.5
113.14893	0.8
115.05460	0.9
116.41965	0.8
119.08567	3.0
119.16241	0.8
121.06513	1.0
121.10147	63.4
123.11718	5.6
126.73641	0.9
131.08559	1.4
133.10132	2.9
135.08066	2.8
135.11700	48.1
138.08981	0.9
145.10100	3.3
146.06061	1.1
147.08064	0.9
147.11700	1.5
148.07610	2.5
149.13277	10.7
163.14803	2.9
167.05626	1.2
173.09630	4.4
173.13251	1.5
191.06985	20.4
191.10628	8.8
191.14406	5.4
191.17955	100.0
192.06496	4.1
192.18404	1.1
197.64450	0.8
203.61311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03936	2.4
55.05263	1.9
55.05511	28.1
57.06818	1.2
57.07070	10.8
65.03914	1.5
67.05505	18.6
68.53522	1.0
69.03413	2.3
69.07070	40.8
70.30368	1.8
70.30759	2.4
71.08636	1.5
79.05491	25.4
79.72296	1.1
81.07058	45.8
83.04977	2.7
83.08624	22.1
90.10281	1.1
91.05489	14.9
93.07048	70.2
95.04962	3.9
95.08608	69.7
95.09237	2.4
97.09544	1.2
97.10168	22.6
98.21365	1.3
103.87473	1.2
105.07024	13.1
106.79649	1.0
107.04942	1.6
107.08597	96.0
109.06507	2.9
109.10160	64.4
110.10501	1.5
111.11701	2.4
114.90882	1.2
117.07009	1.8
119.08587	5.2
121.06521	2.2
121.10146	84.3
123.08067	1.7
123.11729	11.0
131.08571	4.0
133.10101	5.2
135.08095	4.8
135.11696	100.0
145.10124	4.6
146.06018	2.0
147.07996	1.4
147.11671	2.0
148.07545	1.3
148.08763	1.7
149.09612	4.0
149.13268	24.5
163.11154	3.0
163.14804	3.1
173.09641	1.4
173.13254	3.8
176.04646	2.7
182.66826	1.0
182.97256	1.1
191.06973	10.7
191.08232	1.0
191.10744	6.0
191.14322	43.0
191.17952	78.5
192.06607	2.5
192.18417	1.8
195.04143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	3.0
55.01864	3.1
55.05511	26.6
57.03425	1.5
57.07076	9.0
65.03936	1.5
67.05177	2.0
67.05508	27.4
69.03432	17.4
69.07069	38.2
71.05005	1.5
71.08619	1.4
75.30355	1.2
79.05060	2.3
79.05498	39.6
81.07060	48.6
83.04988	7.8
83.08625	21.2
85.06535	2.1
90.45675	1.0
91.05482	27.2
93.07049	73.2
94.07378	1.5
95.04967	6.9
95.08610	63.0
97.06536	3.2
97.10173	14.8
102.04687	2.5
103.05466	24.4
105.03385	2.1
105.07032	30.2
107.04955	11.1
107.05615	1.5
107.08598	100.0
108.08921	1.6
109.06506	6.8
109.10160	61.4
111.04453	1.1
111.11685	1.5
115.05450	3.5
117.07027	9.6
118.04157	8.9
119.04918	2.5
119.08569	12.5
119.61819	1.1
120.05752	2.1
121.06521	11.9
121.10150	83.4
123.08074	4.9
123.11713	9.8
129.06982	3.1
130.04155	3.9
130.07779	3.1
131.04941	15.5
131.08571	15.9
132.05696	2.2
133.02841	4.2
133.06490	3.4
133.10136	25.4
135.04474	1.6
135.08058	30.7
135.11697	89.7
137.09642	5.4
143.08571	3.8
145.06485	3.3
145.10139	18.2
146.03650	2.7
147.06950	1.3
147.08058	2.7
147.11673	10.1
148.05220	11.4
148.07550	1.3
148.08823	1.3
149.05963	3.0
149.09648	7.7
149.13255	29.3
150.02867	1.2
154.02632	1.2
155.08624	1.5
158.07268	1.8
158.10918	5.9
161.06003	2.2
161.09557	3.3
163.03900	1.2
163.07553	18.2
163.11201	9.0
163.14813	5.9
173.05852	1.2
173.09636	8.4
173.13266	19.7
176.02513	1.3
176.04704	6.5
176.08331	4.6
176.12047	1.3
177.20705	1.4
191.03445	2.2
191.07024	24.6
191.10681	39.8
191.14325	68.2
191.17950	72.9
192.06532	1.9
194.70137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01864	3.1
55.05511	26.6
57.03425	1.5
57.07076	9.0
65.03936	1.5
67.05177	2.0
67.05508	27.4
69.03432	17.4
69.07069	38.2
71.05005	1.5
71.08619	1.4
75.30355	1.2
79.05060	2.3
79.05498	39.6
81.07060	48.6
83.04988	7.8
83.08625	21.2
85.06535	2.1
90.45675	1.0
91.05482	27.2
93.07049	73.2
94.07378	1.5
95.04967	6.9
95.08610	63.0
97.06536	3.2
97.10173	14.8
102.04687	2.5
103.05466	24.4
105.03385	2.1
105.07032	30.2
107.04955	11.1
107.05615	1.5
107.08598	100.0
108.08921	1.6
109.06506	6.8
109.10160	61.4
111.04453	1.1
111.11685	1.5
115.05450	3.5
117.07027	9.6
118.04157	8.9
119.04918	2.5
119.08569	12.5
119.61819	1.1
120.05752	2.1
121.06521	11.9
121.10150	83.4
123.08074	4.9
123.11713	9.8
129.06982	3.1
130.04155	3.9
130.07779	3.1
131.04941	15.5
131.08571	15.9
132.05696	2.2
133.02841	4.2
133.06490	3.4
133.10136	25.4
135.04474	1.6
135.08058	30.7
135.11697	89.7
137.09642	5.4
143.08571	3.8
145.06485	3.3
145.10139	18.2
146.03650	2.7
147.06950	1.3
147.08058	2.7
147.11673	10.1
148.05220	11.4
148.07550	1.3
148.08823	1.3
149.05963	3.0
149.09648	7.7
149.13255	29.3
150.02867	1.2
154.02632	1.2
155.08624	1.5
158.07268	1.8
158.10918	5.9
161.06003	2.2
161.09557	3.3
163.03900	1.2
163.07553	18.2
163.11201	9.0
163.14813	5.9
173.05852	1.2
173.09636	8.4
173.13266	19.7
176.02513	1.3
176.04704	6.5
176.08331	4.6
176.12047	1.3
177.20705	1.4
191.03445	2.2
191.07024	24.6
191.10681	39.8
191.14325	68.2
191.17950	72.9
192.06532	1.9
194.70137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.89911	0.5
53.03936	1.1
55.01879	5.9
55.05499	2.0
57.07059	0.8
67.05486	1.8
69.03431	1.4
69.07074	16.0
70.91459	0.9
70.91801	0.7
79.05496	4.0
81.07072	2.4
83.04971	2.0
83.08620	0.8
85.10954	0.4
85.87628	0.5
91.05500	6.3
93.07053	14.2
95.04949	1.2
95.08595	4.2
97.06539	2.8
103.05486	3.2
105.07049	4.6
107.04932	0.9
107.08600	13.8
109.06549	1.5
109.10155	1.7
111.08139	1.0
115.05409	0.7
117.07014	2.8
118.04171	0.8
119.08584	4.3
121.05644	1.0
121.06512	17.4
121.10139	10.5
123.08073	2.3
131.04944	2.8
131.08586	5.8
133.02835	0.8
133.10143	7.2
135.08061	10.5
135.11697	4.1
137.09589	2.5
143.08557	1.5
145.10117	4.5
147.11697	28.1
148.05183	2.1
149.09625	3.8
149.13280	11.8
158.10924	2.5
161.09641	8.0
163.03917	0.7
163.07532	2.6
163.11160	2.0
163.14801	1.7
173.09608	1.3
173.13271	10.3
176.04674	1.2
176.08400	0.6
176.11996	2.9
191.03378	1.1
191.07031	2.4
191.10828	3.4
191.14317	100.0
192.14725	1.2
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
53.03934	1.4
55.01857	1.2
55.05509	6.7
57.03431	2.5
57.07063	1.7
67.05508	10.1
69.03433	17.8
69.06768	1.0
69.07071	10.8
70.70863	1.2
70.71219	2.7
71.04988	5.8
79.05070	1.0
79.05503	18.6
81.03410	1.8
81.07065	15.5
83.04977	5.5
83.08624	2.7
85.06551	3.1
88.51433	0.9
91.05480	18.4
93.07050	14.5
95.04978	6.1
95.08611	11.8
97.06526	3.4
97.10135	1.3
102.04668	1.3
103.05483	16.9
105.03391	2.2
105.07034	29.3
107.04978	6.2
107.08599	40.6
109.06537	5.9
109.10162	19.4
109.10897	1.1
115.05462	2.5
117.07026	8.6
118.04142	5.2
119.04971	1.2
119.08594	12.6
120.05705	1.6
121.06515	8.8
121.10149	32.6
122.07293	2.7
123.08083	6.9
129.06987	1.9
130.04163	2.9
130.07758	1.4
131.04945	13.5
131.08578	22.7
132.05711	1.1
133.02823	2.1
133.10138	100.0
135.08060	20.1
135.11671	9.3
137.09644	9.5
143.08595	5.3
144.09314	2.1
145.06499	1.6
145.10147	13.0
147.04424	1.2
147.11700	8.2
148.05168	8.1
149.09637	7.7
149.13261	15.6
157.10226	1.1
158.10962	9.6
161.06062	1.6
161.09595	1.9
163.03909	1.2
163.07552	11.8
163.11174	3.2
163.14842	6.1
173.05983	3.8
173.09605	4.6
173.11754	1.5
173.13272	29.7
176.04706	5.2
176.08342	1.5
191.07013	15.2
191.08656	1.4
191.10686	13.6
191.14316	61.2
191.17838	4.3
192.06514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19761	0.6
55.05498	3.1
56.63630	0.7
57.07054	0.8
61.52657	0.7
67.05521	3.9
69.03080	0.9
69.03430	12.9
69.07068	4.7
71.03391	1.2
71.05006	0.8
79.05513	3.7
81.07064	4.7
83.04996	8.3
83.08607	2.2
85.06525	2.7
91.05463	4.7
93.07041	4.9
95.04961	2.8
95.08050	1.1
95.08612	13.4
97.06543	3.4
98.21243	1.1
103.05445	1.2
105.07042	8.0
107.08602	17.4
109.06525	8.4
109.10159	3.2
111.08122	0.8
115.05519	0.8
117.07004	1.4
119.08584	6.9
121.06493	5.1
121.10152	12.1
123.08109	3.9
125.08315	0.7
129.07004	1.0
130.07776	1.2
131.04843	0.7
131.08575	12.7
133.10136	9.8
135.08060	14.6
135.11687	5.1
143.08606	4.0
145.10120	5.9
147.11678	4.6
148.05280	0.7
149.09628	12.4
149.13269	5.0
150.10400	2.6
158.10927	7.4
161.09598	4.4
163.08809	0.7
163.11201	4.6
163.14833	3.1
171.11716	0.7
173.13268	32.1
176.11987	3.1
191.14316	100.0
192.14670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01863	1.5
55.05511	6.8
57.03420	1.2
57.07070	3.4
60.02780	1.2
67.05496	5.9
69.03076	1.9
69.03427	25.2
69.07050	7.4
69.73947	1.3
69.75011	4.9
69.75417	2.8
72.85361	1.2
75.39812	1.4
77.12681	1.2
79.05067	1.7
79.05499	31.3
79.68533	1.4
81.07059	25.2
83.04988	8.3
83.08588	1.7
85.06512	1.3
91.05483	13.0
93.07051	11.6
94.02272	1.1
95.04958	3.2
95.08613	5.9
98.21114	4.3
103.05490	1.7
105.07036	19.2
107.04948	13.3
107.08600	48.0
109.06506	5.0
109.10170	7.5
117.07010	3.1
119.08609	7.3
121.06494	6.1
121.10147	20.3
122.07272	2.6
123.08058	5.1
131.04990	1.7
131.08569	12.2
133.10136	100.0
134.59251	1.3
135.08032	11.9
135.11662	3.8
136.08873	1.9
136.55792	1.3
137.09612	18.7
143.08543	3.0
144.09297	2.0
145.10095	5.9
147.11662	6.2
149.09619	3.4
149.13252	11.9
158.10905	6.9
161.09529	2.7
163.14799	4.5
166.61266	1.2
173.11905	2.4
173.13271	22.7
176.11943	1.6
191.14317	63.8
193.47572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01855	1.2
55.05510	6.0
55.51546	1.0
57.03434	1.0
57.07069	2.3
63.00058	0.7
65.03933	1.8
67.05220	0.9
67.05513	9.2
67.40641	0.8
69.03085	0.9
69.03436	14.6
69.07066	10.4
69.75489	2.6
69.75904	1.9
71.04977	1.1
73.40922	0.7
79.05503	7.7
81.07056	11.0
83.04981	9.1
83.08604	3.1
85.06546	1.3
91.05487	12.0
93.07047	14.2
95.04964	9.0
95.08610	14.8
97.06540	5.8
98.20959	2.6
99.26176	0.8
103.05462	6.0
105.07034	13.0
107.04942	3.4
107.08598	31.6
109.06525	7.1
109.10155	3.5
111.08070	1.3
116.06168	1.1
117.06985	3.4
118.04165	1.7
119.08585	9.1
121.06518	14.4
121.10148	27.7
123.08089	5.4
129.07008	2.3
130.07834	0.9
131.04958	5.0
131.08571	15.1
133.02820	0.9
133.06447	2.0
133.10132	17.0
135.08055	17.4
135.11679	8.6
136.08830	1.7
137.09605	1.4
143.08585	4.6
144.09288	1.6
145.10120	9.0
147.08043	2.8
147.11694	14.3
148.05173	2.4
148.07695	0.8
148.08820	6.2
149.09648	12.0
149.13266	11.3
158.10922	8.4
161.09674	1.4
163.07562	3.5
163.11171	1.9
163.14796	6.7
173.13274	22.3
176.04784	1.1
176.12013	1.4
191.03514	1.1
191.07039	5.8
191.10661	3.2
191.14316	100.0
192.14644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.11224	0.6
53.03944	1.2
55.05516	3.0
57.03449	0.7
57.07069	0.9
67.05505	4.2
69.03433	11.7
69.07072	3.8
69.39365	4.6
69.39761	1.1
70.91256	0.5
79.05486	8.6
81.03435	1.0
81.07063	8.7
83.04983	2.8
83.08617	1.1
91.05483	7.3
93.07054	6.3
95.04955	1.5
95.08601	3.9
103.05496	0.6
105.07031	13.7
107.04958	4.7
107.08601	22.6
109.06519	2.4
109.10156	8.6
115.05454	1.0
117.07003	1.7
118.07817	0.6
119.08595	4.6
121.06490	2.2
121.09320	0.8
121.10155	16.6
121.11022	0.9
122.07277	2.3
123.08054	2.5
129.07005	1.4
131.08572	7.9
133.10133	100.0
135.08070	4.9
135.11705	3.4
137.09616	13.4
143.08560	2.8
144.09387	0.8
145.10086	4.8
147.11694	3.3
149.09605	1.6
149.13263	12.6
158.10918	4.3
163.14862	2.9
173.13275	15.3
173.14688	1.1
191.14317	25.3
191.16061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.4
57.07086	2.6
65.03928	1.6
67.05505	11.4
69.03432	18.2
69.07076	9.9
69.97628	5.0
69.98029	2.1
71.04983	1.6
79.05486	14.1
81.07057	15.7
83.04983	9.8
83.08628	2.6
83.89149	1.5
91.05492	13.0
93.07051	14.9
95.04964	8.2
95.08620	14.3
96.71545	1.6
97.06535	4.6
103.05436	2.8
105.07033	21.5
107.04952	7.5
107.08598	40.8
109.06516	5.3
109.10163	8.9
115.05451	1.6
117.07001	2.7
119.08588	11.9
121.06525	14.7
121.10150	30.2
122.07259	1.9
123.08061	5.7
129.06998	2.0
131.04936	1.8
131.08562	20.5
133.10135	100.0
135.08054	14.2
135.11676	5.9
137.09625	12.1
140.77235	1.5
143.08549	5.8
144.09329	2.5
145.10136	11.8
147.08098	3.0
147.11697	15.3
148.08826	4.7
148.16566	1.4
149.09602	9.8
149.13260	19.0
150.94252	1.5
158.10916	7.5
163.07539	3.2
163.14815	5.6
173.13278	28.9
191.07123	3.3
191.10750	3.4
191.14311	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
53.64436	0.7
55.05298	0.8
55.05506	4.4
57.03436	1.5
57.07077	1.8
65.16481	0.8
65.46249	0.8
67.05505	3.7
69.03431	15.5
69.07070	5.9
70.70062	0.7
71.04984	0.9
71.12302	1.8
79.05502	9.9
81.03424	0.9
81.07060	9.6
83.04975	5.6
83.08610	1.2
91.05487	8.3
93.07042	8.0
95.04989	2.3
95.08592	4.6
96.25694	0.8
97.06521	2.1
103.05477	1.0
105.07026	16.9
105.07671	1.3
107.04980	5.0
107.08598	25.0
109.06536	1.7
109.10155	7.9
115.05489	1.3
117.07008	2.2
119.08599	6.7
121.06538	4.9
121.10143	17.3
122.07306	2.7
123.08076	2.9
129.06995	1.8
131.08574	10.4
133.10136	100.0
135.08049	7.3
135.11685	2.6
137.09610	13.4
143.08571	4.8
144.09398	1.1
145.10126	5.6
147.11707	5.6
149.09673	3.6
149.13261	14.2
158.10913	6.8
161.09599	2.1
163.14835	3.1
173.13275	18.2
191.14311	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01880	0.7
55.05511	4.7
57.03428	1.4
57.07080	0.8
67.05508	5.5
69.03433	15.2
69.07080	5.6
69.15366	0.7
70.70855	1.7
79.05501	11.2
79.14847	0.8
81.03419	1.2
81.07058	13.0
83.04989	4.5
83.08622	1.5
85.06574	0.9
91.05488	9.4
93.07048	8.3
95.04942	1.7
95.08623	5.3
98.21190	1.3
103.05434	0.8
105.07043	16.5
107.04977	7.8
107.08605	24.7
109.06524	2.6
109.10165	10.6
115.05475	1.2
117.07030	2.4
119.08601	6.9
121.06516	2.7
121.10146	16.9
122.07309	2.7
123.08067	2.4
129.07072	1.7
131.08589	9.9
133.10136	100.0
134.10432	1.4
135.08072	5.7
135.11713	2.8
137.09624	14.6
143.08566	3.6
144.09338	1.6
145.10149	6.1
147.11662	3.6
149.09627	2.2
149.13261	13.2
158.10922	6.1
163.14841	4.4
173.13266	18.6
191.07039	1.3
191.14323	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	2.0
55.01853	1.6
55.05503	4.5
57.03424	1.6
57.07063	2.2
59.05001	1.7
67.05521	6.7
69.03423	3.1
69.07072	12.5
71.04995	2.8
71.13013	1.7
71.13344	2.2
73.98830	1.3
79.05495	15.5
81.07066	10.9
83.04972	3.0
83.08623	3.9
85.06557	2.6
88.44465	1.0
91.05479	25.8
93.07048	20.1
95.04965	4.1
95.08610	10.6
97.06529	4.9
103.05484	9.0
105.07034	38.1
106.07328	1.3
107.04955	2.9
107.08597	100.0
109.06519	6.1
109.10152	5.7
115.05486	2.7
117.07040	10.1
118.04160	3.2
119.04945	1.1
119.08586	35.6
121.06500	4.9
121.10147	35.7
123.08034	4.8
123.27780	1.2
126.75227	1.1
129.06999	4.1
130.07780	2.3
131.04929	4.2
131.08565	35.3
133.02863	1.5
133.06528	2.2
133.10136	53.0
135.04451	1.7
135.08043	13.0
135.11694	12.7
139.65477	1.2
143.08603	8.4
144.09351	5.2
145.06477	4.7
145.10130	28.5
146.05945	2.5
147.11700	16.4
148.05174	4.4
148.07620	1.6
149.09618	5.8
149.13264	16.1
158.10931	14.5
163.03883	2.1
163.06113	1.4
163.07527	8.5
163.11159	2.3
163.14836	13.9
173.05992	7.6
173.13274	59.4
176.11987	1.3
179.46346	1.2
191.03409	2.9
191.06969	16.2
191.10730	5.8
191.14317	96.4
192.06569	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	1.3
55.05515	6.6
57.03422	1.4
57.07070	2.0
59.04973	0.9
62.34363	0.7
67.05509	6.6
69.03079	1.1
69.03433	16.1
69.07071	9.6
71.04980	1.9
71.08856	1.5
79.05495	8.4
81.07057	7.6
81.60458	0.6
83.04981	12.1
83.08601	2.9
85.06524	1.5
90.93390	0.7
91.05482	17.3
93.07048	13.4
95.04970	4.9
95.08604	7.4
97.06556	3.9
97.50282	0.7
98.21358	0.8
103.05483	5.6
105.07033	24.2
107.04945	2.5
107.08600	28.9
107.40214	0.8
109.06532	6.5
109.10142	4.5
111.08065	1.4
115.05475	1.7
116.06244	1.0
117.07042	5.4
118.04156	1.7
119.08584	14.9
121.06506	9.3
121.10150	19.0
121.11021	1.2
123.08078	4.2
123.11753	1.0
128.06187	1.0
129.07016	4.0
130.04111	1.3
130.07800	1.6
131.04945	4.7
131.08577	25.4
132.05659	0.7
133.02832	1.0
133.06503	1.4
133.10136	29.1
135.04449	1.1
135.08061	18.6
135.11690	5.3
136.08841	0.9
143.08545	7.2
144.09369	1.7
145.06500	1.6
145.10133	13.9
147.08069	1.4
147.10640	1.0
147.11694	13.0
148.05188	2.5
148.08829	1.1
149.09637	9.0
149.13257	8.6
158.10898	9.3
161.09654	4.3
163.03888	0.7
163.07567	5.1
163.11212	1.4
163.14803	3.6
173.09637	1.6
173.13274	25.3
176.04597	0.9
176.11963	2.8
191.03407	2.0
191.06956	6.6
191.10760	5.8
191.14308	100.0
192.06596	1.4
192.14684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.77022	1.6
53.03938	3.5
55.01850	3.1
55.05514	9.7
57.07071	2.7
57.35741	1.5
64.48871	1.5
65.03918	2.9
67.05509	10.0
69.03084	2.2
69.03434	29.8
69.07073	10.0
69.77882	7.5
69.78297	4.1
74.64788	1.6
79.05495	30.1
81.06651	2.0
81.07066	27.0
83.04985	11.6
83.08596	2.7
85.06528	2.5
91.05483	14.3
93.07047	17.6
95.04955	3.7
95.08585	7.9
105.07021	21.7
107.04957	15.2
107.08588	56.3
109.06516	4.2
109.10152	11.6
111.44232	1.8
117.06998	3.6
119.06011	1.9
119.08579	12.9
121.06516	8.5
121.10139	29.9
123.08078	4.1
129.07002	2.6
131.08572	14.9
133.10136	100.0
135.08032	14.7
135.11653	10.0
137.09656	10.7
143.08549	8.6
144.09340	2.2
145.10141	12.1
147.11700	6.3
149.09621	7.2
149.13266	16.8
158.10883	10.8
163.11150	2.7
163.14835	4.4
173.09642	2.4
173.13257	32.8
191.07069	6.0
191.10675	8.1
191.14307	77.3
191.17957	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	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
65.40607	0.2
69.11565	0.2
70.09102	0.3
70.09498	0.5
89.03891	1.2
116.04987	3.1
120.08103	0.2
144.04457	0.8
162.05505	100.0
163.05914	1.3
174.41835	0.2
174.67780	0.2
190.04996	36.7
191.05359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01863	2.3
55.05296	0.5
55.05511	5.8
57.07083	2.4
58.69429	0.5
59.04996	0.8
62.18407	0.5
65.03930	0.6
67.05510	4.2
69.03432	20.7
69.06726	0.5
69.07072	8.7
71.04980	1.6
71.57262	0.8
72.06728	0.5
79.05490	5.1
81.07060	4.7
83.04981	18.3
83.08594	2.5
85.06534	1.6
88.67878	0.5
91.05490	7.7
93.07046	9.1
95.04955	1.9
95.08607	4.9
97.06535	2.8
98.21359	0.6
102.04668	0.6
103.05472	1.8
105.07037	11.0
107.04948	2.5
107.08596	27.6
109.06496	3.0
109.10173	2.9
111.08073	0.9
115.05442	1.7
116.06183	0.7
117.07030	3.0
118.04155	1.1
119.08584	9.2
121.06509	9.4
121.09310	1.0
121.10146	15.9
123.08086	3.0
123.11713	0.7
129.06998	2.2
130.04147	0.7
130.07790	1.1
131.04941	1.5
131.08569	13.9
133.06549	0.6
133.10129	12.6
133.11078	1.0
134.10956	0.7
135.08054	19.0
135.11703	4.7
136.08823	1.6
137.09590	0.6
143.08557	5.2
144.09329	1.4
145.10120	7.8
146.05983	1.1
147.08020	1.6
147.11684	7.5
148.07562	1.0
148.08791	1.1
149.09610	6.0
149.13275	6.1
158.07358	0.5
158.10910	9.1
161.09631	7.6
163.07547	0.6
163.11147	0.8
163.14821	1.4
173.09619	1.5
173.13269	17.4
175.11188	0.5
176.04671	1.0
176.08391	0.7
176.12012	2.8
191.03357	1.0
191.06970	5.1
191.10747	5.6
191.14307	100.0
192.06525	0.9
192.14659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.36013	1.3
51.02382	1.7
53.03938	1.7
55.05516	12.0
67.05508	22.9
69.06754	1.5
69.07072	14.9
69.83529	2.1
69.83941	5.9
79.05504	20.5
81.07063	23.1
83.08613	4.4
84.91613	1.5
88.53937	1.2
91.05486	67.5
93.07049	19.3
95.04943	1.4
95.08611	37.3
98.21046	3.7
103.05477	2.0
104.06246	1.6
105.07037	66.0
107.08603	18.3
109.10135	8.0
117.07033	4.8
119.08590	72.8
121.10138	11.0
131.08578	7.7
133.06465	1.3
133.10144	73.2
135.11684	1.3
145.10104	7.5
146.10916	2.8
147.11693	46.8
149.02359	1.6
159.11769	1.8
160.12476	2.8
161.09590	2.0
161.13278	11.6
174.14093	2.1
189.05504	4.0
189.09032	3.2
189.12747	2.9
189.16399	100.0
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
50.26440	1.0
55.05513	8.2
57.07066	2.1
65.03922	1.2
67.05512	10.2
69.03433	6.1
69.06770	1.2
69.07072	13.0
79.05491	10.9
81.07057	31.8
83.04969	1.4
83.08614	4.3
91.05485	30.9
91.61967	1.0
93.07057	16.2
93.62895	1.0
95.04973	2.4
95.08612	48.0
98.20931	5.8
103.05478	3.0
105.07034	79.9
107.04917	1.9
107.08599	19.0
109.06518	1.7
109.10160	12.6
115.05434	3.0
117.07008	5.9
118.07816	1.3
119.04909	5.5
119.08587	92.9
119.90737	1.3
121.02885	1.2
121.06507	2.6
121.10163	11.1
121.23947	1.0
128.06232	9.7
129.07004	7.4
130.07819	2.4
131.04904	2.2
131.08568	14.7
131.10043	1.5
132.09370	1.4
133.06512	7.9
133.10135	85.9
134.10811	1.1
135.08025	2.1
141.06935	2.0
143.08585	11.5
145.06493	4.0
145.10136	13.2
146.07243	5.3
146.10902	5.1
147.04460	3.1
147.08057	14.3
147.11696	51.3
149.02287	1.4
156.09355	7.1
157.06427	2.0
159.08080	5.4
159.11714	3.6
160.05264	1.6
160.08842	2.5
160.12466	3.7
161.05977	5.5
161.09624	28.7
161.13258	21.9
171.08038	3.6
171.11694	7.9
174.06793	9.1
174.10402	11.1
174.14006	1.7
181.42403	1.0
189.05460	5.0
189.07384	1.9
189.09128	50.7
189.12750	45.7
189.16389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
57.05747	1.0
67.05502	2.4
67.98833	1.1
69.03441	6.5
69.07067	1.6
69.69471	7.3
69.88476	1.1
75.07415	1.0
79.05474	2.0
81.07056	2.1
83.04984	2.0
91.05495	8.2
93.07037	2.3
95.04967	2.4
98.20784	2.3
98.21440	2.3
105.07034	17.0
107.08600	3.2
109.06465	1.4
117.07030	2.5
119.08586	29.2
121.06536	1.2
121.10125	1.4
128.06194	2.4
129.07007	3.2
130.07797	2.3
131.08554	10.0
133.06465	2.7
133.10138	11.2
135.08049	3.6
141.07005	6.1
143.08569	6.3
144.09319	1.4
145.06464	3.4
145.10130	9.6
146.10916	1.6
147.08054	14.6
147.11700	17.9
155.08600	1.3
156.08066	1.6
156.09360	33.2
159.08116	9.8
159.11708	8.1
160.08862	4.2
161.06052	1.2
161.09610	6.4
161.13257	14.3
161.44385	1.3
162.78067	1.2
171.11700	42.2
174.10426	24.0
189.09123	3.4
189.12755	100.0
190.13104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05497	4.7
64.20584	1.1
67.05489	3.0
69.03439	9.2
69.07051	2.0
69.43261	10.5
79.05508	7.5
79.05906	1.2
81.07053	5.3
82.52403	1.1
83.04970	5.3
84.04493	3.5
85.02902	2.1
85.04830	5.0
88.08229	1.1
91.05495	11.5
93.07037	4.5
95.05000	2.7
95.08600	2.1
98.20755	2.1
98.21399	2.9
103.05486	1.6
105.07040	25.8
107.04942	2.0
107.08594	4.0
109.06520	2.3
115.05444	3.0
117.06994	4.9
118.07776	1.4
119.04940	4.5
119.08585	32.6
121.06490	3.2
121.10210	2.1
128.06238	8.7
129.07007	16.2
131.04932	4.7
131.08572	11.9
132.05785	1.9
133.06500	7.7
133.10150	19.0
135.08055	4.0
141.06992	4.8
143.08597	9.2
145.06520	5.3
145.10121	5.4
146.07301	6.4
146.10880	2.2
147.08052	21.5
147.11705	16.7
149.02438	1.3
149.09581	1.6
156.09355	17.3
157.06497	5.5
158.07359	3.0
159.08063	23.2
159.11740	4.2
160.08826	6.7
161.06009	13.4
161.09630	17.8
161.13266	22.7
171.11702	17.6
173.09560	2.1
174.06783	16.4
174.10419	43.9
189.05479	3.6
189.07397	2.5
189.09117	38.4
189.12752	100.0
190.13086	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	188.0919
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
51.72809	0.5
53.03955	0.7
54.03474	0.7
55.01869	4.0
55.05511	18.2
56.05036	29.6
56.96560	1.7
57.03437	7.1
59.04998	2.5
60.04523	24.3
61.02921	1.4
65.03933	2.7
67.05162	0.9
67.05499	11.3
68.05026	2.0
69.03424	2.5
69.80290	3.2
70.02950	8.7
70.06583	3.6
71.01351	1.6
71.04993	1.5
72.04512	3.7
72.08143	1.2
73.02911	2.9
73.06542	1.9
79.05517	0.8
80.05016	1.1
81.03408	1.1
82.02943	2.1
82.06107	0.9
82.06580	13.2
83.01345	0.9
83.04979	34.4
84.00892	0.7
84.04502	8.9
84.08141	4.7
85.02911	3.4
86.06036	0.7
87.04475	2.3
88.03988	1.1
93.03397	2.3
96.08129	4.1
97.02887	3.2
97.11518	0.5
98.06058	1.8
98.21069	2.0
98.97598	1.4
99.04460	1.4
100.03977	6.7
100.07616	45.3
101.00894	0.9
101.02377	5.0
101.06017	37.4
102.05505	0.5
107.04947	1.6
108.08131	0.6
109.02874	0.7
110.02394	2.5
110.06042	3.7
111.04420	3.2
113.02419	0.9
114.05518	5.4
114.09165	7.4
115.03925	3.9
116.07081	0.6
119.01883	1.5
120.01998	1.5
124.07579	1.9
124.11221	2.5
125.05984	1.3
126.09164	1.2
127.03890	0.9
128.03432	9.5
128.07072	3.8
128.98586	0.6
129.01843	0.9
129.05469	6.9
131.00124	0.8
131.01868	1.1
133.03447	1.2
135.04387	1.8
138.03294	0.7
142.05038	3.0
142.08630	86.9
142.12254	8.7
145.03468	1.2
146.04480	2.4
146.08118	100.0
146.99632	0.7
147.08467	1.0
152.06989	0.9
156.02904	2.8
157.01302	4.3
157.03352	0.7
157.50780	0.5
160.06059	1.5
160.09692	0.8
161.01265	0.6
161.02950	0.7
170.08159	2.0
170.11783	3.7
173.03038	0.6
188.03777	2.3
188.05576	3.0
188.09175	33.6
188.12782	6.2
189.06042	0.7
207.01730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
50.46453	0.8
52.35311	0.9
53.03951	1.1
54.03472	1.6
55.01854	3.1
55.05269	1.1
55.05515	19.6
55.14915	0.8
55.35265	0.8
56.05038	31.7
56.21690	0.7
56.96555	2.6
57.03177	0.9
57.03438	9.8
58.06586	2.3
59.04989	2.7
60.04526	24.8
61.02916	1.1
65.03934	2.9
67.05507	14.9
68.01376	1.1
68.05023	4.0
69.03437	4.3
69.07047	1.1
69.43249	0.8
70.02952	9.2
70.06586	4.2
71.04975	2.6
71.43456	0.7
71.55853	1.3
72.04534	5.7
72.08151	2.0
73.02931	4.8
73.06548	2.1
73.82200	0.7
79.05485	0.9
79.90923	0.7
80.05007	1.6
81.03409	3.3
82.02940	1.9
82.06585	16.3
82.99860	0.7
83.04984	35.5
84.04503	10.7
84.08140	6.2
85.02902	5.3
86.02439	0.9
86.06075	1.4
87.04452	1.5
88.03982	1.9
93.03394	2.6
94.02911	2.4
95.04928	0.9
96.04460	1.5
96.08142	4.9
97.02905	6.1
98.06035	2.3
98.97549	2.9
99.04467	1.9
100.03990	6.9
100.07621	50.5
101.00871	2.4
101.02374	0.8
101.06025	34.9
102.05544	2.6
106.06561	1.9
109.02892	1.1
110.02379	2.5
110.06040	5.0
111.04434	2.1
112.07642	1.0
113.00817	0.9
113.02393	0.8
113.04788	0.9
114.01918	2.4
114.05531	5.0
114.09162	3.6
115.02419	1.0
116.07072	1.0
116.98637	0.8
119.01918	6.8
120.02032	2.0
121.01653	1.8
122.06023	1.3
124.07551	3.9
124.11206	2.8
125.05975	1.7
126.05536	1.8
126.09163	1.6
127.02579	0.8
128.03435	11.3
128.07095	7.6
128.10736	1.2
128.98590	1.2
129.05487	7.4
131.01891	3.9
133.03490	2.4
134.05986	0.8
135.04384	2.0
142.04993	3.7
142.08640	67.6
142.12273	10.5
143.01917	2.7
145.01654	1.1
145.03387	2.0
146.04460	2.4
146.08127	100.0
152.07083	2.4
155.01891	0.9
156.02919	14.6
157.03429	1.6
159.01315	1.2
160.06195	0.9
160.09657	1.7
161.01266	1.2
161.02979	2.6
165.06114	0.8
167.05516	1.2
170.08144	8.0
170.11778	4.4
173.02943	1.7
177.02498	1.4
185.02960	1.1
188.03784	4.6
188.05560	6.0
188.09181	49.3
188.12791	10.3
189.06006	1.0
207.01694	1.3
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	Indoleacrylic acid
Peak:m/z	Relative Intensity
55.01868	0.3
56.05032	0.5
56.96565	3.2
57.03435	0.5
60.04514	0.4
61.02921	0.6
62.70762	0.3
67.05480	0.3
69.03431	1.1
69.07075	0.7
71.08671	0.3
71.56612	0.5
72.83064	0.3
73.02923	0.5
81.03414	0.7
83.04980	0.7
84.04511	2.5
85.02897	1.3
87.04459	0.5
88.02233	0.3
90.01523	0.3
91.05489	0.7
92.45295	0.3
95.00747	0.3
97.02897	0.8
97.06488	0.3
98.06048	0.3
98.97588	1.3
100.07610	0.3
105.07051	0.4
109.02915	0.3
110.01306	0.7
110.97550	0.4
115.05457	21.7
116.04977	2.4
117.07074	0.3
118.06554	2.7
119.01822	0.8
119.04953	0.3
119.08585	0.3
126.71906	0.3
127.03974	0.4
128.02339	1.0
128.07071	0.6
128.07950	0.3
128.52460	0.4
128.98627	0.3
129.96960	0.2
132.08066	0.6
132.08974	0.5
134.99686	0.4
140.04913	2.9
142.06525	39.8
142.12303	0.4
143.06953	0.5
144.08092	0.9
145.10149	0.3
146.06009	3.7
146.08113	0.7
146.99631	0.4
160.07526	3.5
160.09648	0.5
160.12003	0.5
161.04871	0.9
161.06073	0.4
170.06015	100.0
171.06404	1.5
176.05215	1.4
183.09143	0.6
185.05710	0.8
188.07066	26.6
188.09045	1.0
189.05533	0.5
189.07437	0.4
189.09030	0.4
189.12714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07366	0.4
62.83050	0.3
70.74741	0.8
71.26668	0.3
76.35265	0.4
91.05477	3.2
98.21337	0.5
103.05489	0.8
115.05464	5.7
117.05755	1.1
117.07018	4.9
118.06547	67.0
119.06873	0.6
128.04990	0.4
132.08095	0.7
142.06532	5.4
143.07309	12.0
144.04422	1.2
144.08090	23.3
145.06532	0.6
146.06010	100.0
147.06337	1.2
155.06049	0.8
160.07542	0.9
170.06009	9.1
177.79594	0.4
188.07069	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
62.82494	0.4
70.74712	1.2
72.96728	0.4
77.40694	0.4
91.05482	4.8
98.21376	0.6
101.12983	0.4
115.05442	5.8
117.05744	1.6
117.07015	4.2
118.06544	64.7
119.06858	0.7
132.08109	1.2
142.06528	6.2
143.07317	11.1
144.04456	0.8
144.08089	24.1
145.06546	0.7
146.06010	100.0
147.06352	1.5
147.12093	0.4
155.06047	0.9
160.07564	1.4
170.06024	9.0
188.07069	21.0
200.89391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05497	1.0
57.07071	2.1
63.33202	0.5
67.05499	2.1
68.68240	0.5
69.03452	0.6
69.07065	1.0
69.53628	3.9
72.53364	0.5
79.05492	2.3
81.07076	4.3
82.32948	0.6
83.08598	0.6
85.02881	0.6
88.02228	2.0
91.05476	8.4
93.07024	2.8
95.08606	2.4
96.01523	0.5
98.62704	0.6
103.05463	1.3
105.07026	10.0
107.08598	1.8
115.05465	1.9
116.06256	1.6
117.07031	8.2
119.08591	28.3
128.06209	2.1
129.07007	5.6
130.07802	5.7
131.04938	0.8
131.08582	20.5
133.10133	1.6
141.07007	1.6
142.07767	0.8
143.08574	9.7
144.05766	2.8
144.09398	3.7
145.06473	1.5
145.10130	100.0
146.10480	1.6
154.07779	0.8
155.06090	0.6
156.05647	0.6
157.10158	7.7
158.10921	9.7
159.08102	3.8
159.11710	15.7
169.10083	0.6
170.10880	0.8
172.05206	0.9
172.08842	1.5
172.12485	9.6
173.00929	0.5
185.13280	0.8
187.07564	7.3
187.11281	7.4
187.14833	78.0
188.15192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03923	0.5
55.05516	0.8
57.07072	1.8
67.05503	2.1
69.02567	0.5
69.07066	1.4
70.12476	2.2
79.05486	2.1
81.03430	0.7
81.07045	4.7
83.08615	0.7
88.02206	2.6
91.05483	11.6
91.06011	1.1
93.07047	2.3
95.08606	3.9
96.00291	0.6
98.20864	1.2
98.21433	0.7
103.05449	0.7
105.07033	12.5
105.07679	1.1
107.08577	1.5
115.05434	1.7
116.06248	3.4
117.07008	9.0
119.08582	18.6
122.99271	0.5
126.32484	0.5
128.06200	1.3
129.06984	4.3
130.07779	6.5
131.08571	34.4
132.08870	0.7
133.10126	2.7
143.08557	8.9
144.09317	2.6
145.10123	100.0
146.10486	1.5
157.10136	8.2
158.10902	5.9
158.19894	0.6
159.08081	0.8
159.11699	14.1
172.12456	8.2
178.92719	0.6
185.13313	0.7
185.83937	0.6
187.11324	4.2
187.14821	88.6
188.15129	1.6
204.76672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.70998	1.0
51.50932	0.9
53.03942	2.3
55.01853	1.1
55.05514	7.0
55.82365	0.8
57.03408	1.1
57.07080	2.2
59.04996	2.8
67.05503	7.4
68.99812	0.9
69.03423	6.6
69.06711	1.5
69.07069	20.4
71.01351	2.5
71.04994	21.0
71.57437	1.0
71.57885	1.1
79.05051	1.4
79.05493	21.3
81.03426	6.5
81.07057	100.0
83.04986	6.9
83.08603	3.7
84.04506	1.0
85.02908	3.2
85.06506	2.1
88.02223	7.9
89.06017	1.4
91.05464	3.9
93.07062	6.3
95.04956	3.0
95.08618	4.4
97.02901	1.4
97.06528	6.8
97.10185	1.9
98.21286	1.2
99.04471	1.8
99.08080	5.7
103.05480	1.1
105.07040	4.2
107.04901	1.1
107.08587	13.2
109.02866	4.2
109.06503	4.2
109.10158	18.4
111.04444	1.1
111.08055	4.0
111.11730	7.9
112.01575	3.6
115.05512	1.1
117.07030	3.3
118.06549	2.1
119.08576	2.6
121.10143	2.4
123.08094	1.6
123.10926	1.5
123.11716	18.1
125.09657	1.0
127.03914	28.8
127.07517	1.0
129.06981	5.4
130.07715	1.5
131.04892	1.4
131.08595	5.2
133.10114	2.9
139.11177	7.1
141.05521	5.9
141.07123	1.5
143.08514	1.9
144.05728	2.8
144.08229	1.0
144.09357	4.8
145.06491	1.6
145.10139	5.3
146.06021	3.1
151.11176	8.8
154.07770	1.7
155.03394	20.7
155.05956	1.7
157.06476	1.7
157.10213	1.4
157.12236	2.9
159.06950	1.4
159.08105	5.2
159.11700	17.3
169.04916	1.0
169.10109	2.6
169.12224	3.6
172.05170	1.5
172.08842	9.3
173.00822	1.9
187.03896	1.5
187.06049	1.7
187.07507	9.0
187.11153	19.7
187.12749	1.7
187.14796	1.3
188.07079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03938	3.1
55.05513	8.3
57.07091	2.0
59.04995	3.6
61.07240	0.8
67.05506	8.2
68.60244	0.8
68.99782	1.5
69.03429	5.5
69.06712	1.5
69.07071	21.4
69.57693	3.7
69.58104	1.8
71.01350	1.7
71.04996	21.3
71.40289	0.9
73.06528	1.5
76.84621	0.8
79.05495	18.3
81.03423	5.4
81.07059	100.0
83.04986	5.9
83.08621	3.3
85.02921	2.7
85.06542	2.5
86.09810	0.9
87.08143	1.1
88.02222	5.0
91.05494	4.4
93.07046	3.4
95.04953	2.9
95.08598	6.0
97.02882	1.2
97.06544	4.9
97.10155	1.3
98.20844	1.3
99.04476	1.2
99.08078	5.5
105.07011	4.1
107.05022	1.0
107.08590	13.0
107.18804	0.9
109.02905	5.3
109.06534	3.0
109.10157	19.1
111.08088	2.2
111.11712	8.5
112.01578	4.1
116.06174	0.9
117.07018	3.7
118.06538	2.5
119.08572	2.2
121.10139	2.3
123.08117	1.1
123.11713	19.6
127.03918	24.3
127.07523	0.9
128.06215	1.6
128.86522	0.8
129.07056	3.3
130.07768	1.3
131.04939	1.9
131.08591	5.4
133.10123	4.0
139.11185	7.2
141.05504	5.3
141.07034	1.2
143.08574	1.7
144.05693	2.4
144.08221	1.1
144.09308	4.4
145.10101	3.5
146.05992	1.8
151.11180	10.3
155.03398	17.5
157.06439	1.0
157.10104	1.2
157.12245	2.4
159.06938	1.3
159.08055	5.0
159.11685	13.2
169.04991	1.4
169.10179	1.6
169.12204	5.2
172.05222	1.9
172.08844	7.6
173.00845	2.2
175.06184	0.9
187.03804	1.0
187.06099	1.8
187.07524	6.1
187.11156	14.4
187.12712	1.3
187.14847	1.8
188.07024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11058	0.3
57.95783	0.3
62.18875	0.3
66.08777	0.3
67.01891	0.3
67.05502	1.0
67.57046	0.3
69.03422	0.6
69.07072	0.3
69.59291	1.9
79.05501	0.8
80.59348	0.3
81.07051	0.7
83.08635	0.4
83.36276	0.3
85.02892	0.4
88.02213	1.4
91.05486	3.0
98.20857	0.6
98.21460	0.7
105.07033	6.4
108.59468	0.3
115.05463	1.4
116.06245	0.7
117.07017	4.2
119.08586	10.1
122.98627	0.3
128.06213	2.4
129.07007	11.1
130.07764	1.5
131.04890	0.5
131.08571	8.4
141.07004	0.6
142.07770	0.9
143.08572	2.4
144.05737	1.6
144.09346	20.6
145.06499	1.2
145.10143	2.3
147.08049	0.7
149.67212	0.3
153.06972	0.6
154.07822	1.2
157.06519	1.6
157.10197	1.8
158.07292	0.5
159.08142	2.9
159.11696	28.9
169.10115	1.8
171.08047	0.9
172.08842	11.3
172.10332	0.6
173.00818	0.5
186.10428	0.9
187.07744	3.1
187.11191	100.0
188.11522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05501	2.7
56.96570	4.9
57.03437	8.8
58.59306	0.8
67.05502	9.2
69.03424	6.7
69.07053	1.1
69.74639	4.9
71.01345	2.6
71.04987	14.0
73.06532	1.3
75.04469	3.3
75.82993	0.9
76.30242	1.4
79.05463	1.8
81.03428	5.5
81.07052	3.5
81.91740	0.9
82.65344	1.0
83.04963	3.2
83.08604	3.3
84.04484	3.3
85.02896	4.7
85.06522	1.2
88.02223	14.2
91.05450	4.0
93.07002	1.1
95.01331	100.0
95.04977	6.7
95.08599	1.8
97.02888	2.4
98.20721	1.4
98.21266	2.1
98.97589	7.7
98.98454	2.0
99.04434	1.4
103.05442	1.3
109.02861	1.9
109.06513	1.5
109.10134	2.0
111.04429	3.0
113.02370	71.2
113.06011	3.3
115.05440	1.7
116.98607	3.7
117.06982	1.2
118.06552	11.1
123.04419	1.8
123.11739	1.4
127.03918	5.2
128.02266	1.3
128.98523	1.3
131.04884	1.4
131.08551	3.8
141.05478	2.9
141.06995	1.6
142.06540	1.1
143.07265	1.8
144.05692	1.9
144.08058	4.4
145.03325	1.3
145.10106	2.6
146.06013	15.6
152.00456	1.2
155.03346	2.1
158.99583	1.5
159.06958	2.3
159.08080	2.6
159.11755	1.5
163.97675	2.0
169.01378	5.0
169.04980	6.3
169.06190	1.2
169.12303	1.7
170.05988	1.8
173.00839	5.3
177.00725	1.8
184.04889	2.0
187.02507	2.4
187.03978	2.5
187.06201	1.3
187.07542	5.0
187.09631	1.4
187.11125	3.3
187.12685	3.8
187.14796	2.3
188.07094	4.1
188.09184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	18.2
67.05472	1.4
68.99783	2.4
71.07378	10.4
71.56821	1.7
81.07063	2.0
86.09708	100.0
98.98470	17.2
101.95033	2.8
104.10744	4.6
105.07024	2.6
125.00010	84.8
128.06247	3.1
129.01862	2.9
129.06999	10.2
131.08604	2.9
141.07034	2.0
143.08578	17.4
155.08549	2.4
156.09299	2.8
157.10135	8.5
163.88687	1.3
170.10854	3.0
175.07368	1.4
184.07347	94.5
184.11983	2.5
185.07759	1.8
185.13252	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.05508	0.7
60.91792	0.5
65.03931	1.6
65.32988	0.5
67.02348	0.5
67.05491	2.3
68.02647	0.7
68.99792	2.3
69.03428	1.3
69.07064	0.9
70.10654	2.0
70.57330	0.4
71.04996	0.7
72.08182	0.5
75.04485	1.4
78.95194	0.5
79.01850	2.1
79.05481	0.7
81.03403	1.2
81.07072	1.3
82.04204	1.8
83.04978	1.2
83.08589	0.6
85.02909	1.4
86.09681	0.6
93.03391	0.8
93.07065	0.9
95.01334	8.2
95.04966	2.4
97.02889	1.4
97.06530	1.8
98.21254	1.1
99.04455	1.3
107.01332	1.3
107.06087	0.9
107.08595	0.8
109.02897	1.7
110.03671	29.0
111.04458	7.9
114.05538	1.6
116.09943	0.6
120.02042	0.9
121.04019	0.6
121.10156	0.6
123.04449	2.7
125.02320	1.0
125.05997	76.2
126.01088	1.6
126.03165	1.0
126.05528	1.2
126.06350	0.7
127.03937	5.7
128.06223	0.7
130.06509	0.6
138.03027	1.1
139.03905	19.7
139.07535	1.1
139.11256	0.6
140.04752	0.8
140.07071	1.0
141.05458	0.8
143.03679	1.1
143.08644	0.7
153.05473	100.0
154.06258	37.0
155.03410	2.5
155.07024	1.5
156.04156	1.0
157.10078	0.9
167.03482	0.9
167.07156	0.7
168.08243	0.5
170.05750	6.0
181.02922	0.8
185.03186	0.5
185.04620	2.4
185.08119	22.0
185.09482	1.0
185.13170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.56883	1.7
60.08163	15.7
65.52858	1.8
69.82427	7.9
71.07385	10.6
72.65501	2.0
86.07848	2.0
86.09710	100.0
98.98474	15.9
101.95035	3.2
104.10768	4.2
112.77438	1.8
119.96037	2.4
124.99089	4.2
125.00011	75.9
137.97177	1.9
141.06987	2.4
184.07359	89.1
184.09709	4.5
185.13286	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55228	0.7
82.99834	2.3
101.00883	31.0
102.00944	0.4
102.58865	0.4
119.01925	100.0
120.02001	2.6
124.02461	2.3
133.03493	0.9
137.02960	21.9
138.03090	0.5
140.44147	0.4
142.03502	21.7
143.03610	1.1
160.04564	4.8
161.02968	8.9
177.00888	0.4
177.06833	0.4
179.04016	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91401	0.4
52.34880	0.5
53.03938	0.5
55.01859	1.4
56.96565	1.1
57.03235	0.3
57.03440	4.1
58.03762	0.5
58.08047	0.4
59.04977	0.4
61.02922	2.3
68.05027	0.4
69.03435	3.8
69.79781	2.6
70.03759	0.6
72.86432	0.4
73.02918	7.4
74.34715	0.4
81.03406	1.7
81.03844	0.5
82.01429	0.5
82.99807	2.3
85.02911	5.5
86.03232	1.0
86.09691	2.0
91.49106	0.5
93.51957	0.5
96.08146	4.2
97.02892	3.9
98.03198	0.5
98.20866	1.0
98.97581	1.6
99.04487	0.7
101.00881	30.8
101.95037	0.6
102.00936	2.8
102.02379	1.0
102.52459	1.1
103.00636	1.2
103.02404	0.9
108.52521	0.8
109.02894	0.7
110.03065	0.6
111.53001	0.9
112.02804	0.6
113.00844	0.9
114.00954	0.6
114.52520	0.4
115.00627	1.4
115.02400	1.6
119.01921	100.0
120.01987	4.9
121.01649	1.5
123.52982	0.8
124.02467	1.4
124.18413	0.5
124.99996	1.0
127.03932	1.2
129.00325	0.7
129.53032	0.7
129.54210	0.4
131.01903	3.0
131.03682	0.5
132.02007	2.0
133.01611	3.5
133.03450	2.2
137.02959	25.7
138.03001	0.6
138.53531	0.6
142.03499	20.2
143.01892	5.4
143.03633	0.7
144.02007	2.5
144.53557	0.6
145.01665	2.0
145.03401	1.4
146.03627	1.2
147.01381	0.8
147.03157	0.7
147.54021	0.7
148.03893	1.5
155.01878	1.1
156.02022	1.9
156.03195	0.6
157.01656	1.6
157.03491	1.2
158.03554	0.5
159.03285	0.7
160.04556	3.6
161.02965	15.0
161.04378	0.9
162.03128	2.2
163.02742	1.7
166.04959	0.6
168.02029	0.6
169.01675	0.6
173.02919	2.3
174.03094	2.3
175.02753	2.8
175.04373	0.6
179.04010	10.2
184.04575	1.3
184.07344	1.9
184.09703	2.0
185.02962	1.1
186.03163	1.8
187.02742	1.6
199.02838	0.6
204.04195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14250	0.3
56.96571	2.1
57.03443	0.5
67.61926	0.4
67.99460	0.4
69.03424	0.8
69.94949	1.6
73.02914	0.7
74.90289	0.3
81.03391	0.7
82.99823	1.8
85.02912	0.9
96.08102	0.6
97.02904	1.4
98.21261	0.8
98.97581	1.9
100.02489	0.5
101.00885	27.7
102.00979	0.7
110.97596	0.4
115.02403	1.3
116.98651	0.5
117.04028	0.5
119.01928	100.0
120.02023	1.8
124.02415	2.0
127.03875	0.6
128.98546	0.4
129.64719	0.3
131.00198	0.7
133.01607	0.8
133.03468	1.4
133.45776	0.4
137.02966	25.9
138.03052	0.4
141.38887	0.3
142.03511	22.0
142.41800	0.3
143.00189	0.4
143.01923	1.1
143.03737	0.4
155.02866	0.8
156.24872	0.4
157.03430	0.9
160.04564	5.2
161.02966	11.1
165.05145	0.4
166.05092	0.4
175.04607	0.6
179.04007	10.3
184.04601	2.0
184.09770	0.7
184.13380	0.5
185.02853	0.4
193.05542	0.5
202.05609	0.8
203.04128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03740	0.8
53.03949	8.5
54.24812	1.1
55.01872	4.6
55.05292	0.9
55.05510	9.4
57.03453	2.1
57.07078	7.4
59.04984	3.1
65.03932	3.5
67.05165	1.5
67.05507	20.2
69.03432	33.9
69.07070	47.9
69.67917	5.1
71.04996	5.8
71.08619	2.6
74.09743	0.9
76.98740	1.2
79.05492	17.2
81.03436	5.4
81.07059	100.0
83.04986	18.7
83.08603	3.9
85.06545	12.4
91.05465	4.3
93.07043	8.7
94.04185	1.4
95.04971	50.6
95.08611	29.4
96.05276	1.4
97.06543	9.9
97.10127	1.3
98.98479	5.6
99.04460	18.7
99.08099	41.6
103.05500	1.3
105.03404	9.9
105.04508	4.2
105.07029	14.0
107.04974	1.2
107.08595	16.1
109.06525	23.1
109.09433	1.7
109.10147	17.1
111.04449	1.2
111.08087	6.3
112.09615	0.9
113.05991	5.5
115.05392	1.0
117.06973	1.1
119.08591	7.3
121.10149	34.0
123.04430	33.5
123.08066	15.7
123.11708	21.9
124.77330	0.9
125.02323	2.6
125.09632	23.3
127.07559	10.0
133.06458	1.2
135.11667	2.0
137.02313	2.8
137.05984	8.8
137.09618	13.9
137.13246	6.7
139.11182	27.2
140.04681	14.0
141.05472	1.2
141.06967	1.1
141.09113	1.2
145.62247	0.9
147.08028	1.0
147.11710	7.3
151.03946	1.1
153.07016	1.5
153.12801	2.0
155.07028	9.2
155.08545	2.6
165.01843	4.2
165.05586	1.4
165.06996	2.8
165.09125	2.7
165.12749	15.7
183.02945	4.2
183.06529	4.8
183.09180	35.4
183.11874	2.2
183.13808	42.2
184.09537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02384	0.9
53.03949	14.0
55.01880	4.4
55.05512	1.5
57.03460	0.7
57.07076	0.9
59.05011	0.6
65.03945	4.9
67.05162	0.9
67.05509	11.7
67.05864	0.6
69.03452	0.8
69.07069	1.8
70.92651	1.2
71.04992	0.9
77.03930	2.1
79.05492	1.6
80.02620	0.7
81.03413	4.0
81.07060	5.4
83.04981	1.2
85.06563	0.8
85.13873	0.5
91.05505	1.4
93.03400	0.7
93.07053	1.8
95.04974	100.0
95.08595	4.1
96.44902	0.6
97.02891	1.2
97.06541	3.5
98.03663	0.7
98.21165	0.5
98.98506	3.2
99.04443	1.7
105.03410	4.8
105.04513	5.5
105.07001	1.2
107.08606	2.7
108.02111	1.6
109.02866	0.8
109.06527	2.1
109.10157	2.5
111.04435	1.2
111.08087	1.0
119.08582	1.8
121.04012	1.1
121.10122	2.7
123.04436	74.8
123.08051	3.7
123.11710	2.9
123.23903	0.5
124.04755	0.7
125.02361	5.4
125.05968	0.7
125.09618	0.6
127.01614	0.7
127.07561	6.2
137.02332	1.4
137.05983	1.4
137.09621	2.7
139.11189	1.5
140.04689	32.1
141.05490	0.6
141.09134	0.7
143.44551	0.5
146.51923	0.4
147.11703	1.6
151.03957	1.2
153.07002	0.8
155.07048	19.6
155.08401	1.4
165.01924	1.0
165.05542	0.6
165.07083	0.7
165.12833	2.6
166.08691	0.9
168.07414	0.6
168.09290	0.8
177.43358	0.6
183.02922	1.4
183.06686	4.6
183.07933	1.3
183.09229	6.8
183.11708	1.6
183.13814	2.3
183.15320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01609	0.4
51.02385	1.4
53.03947	14.5
55.01870	3.7
55.05506	0.6
56.24379	0.4
57.03443	0.4
57.07104	0.3
62.27570	0.3
65.03943	5.2
67.05167	0.7
67.05506	9.9
69.03410	0.7
69.07060	0.5
69.66251	2.5
71.04980	0.9
77.03925	2.1
79.05492	1.3
81.03426	2.5
81.07056	1.8
82.70094	0.4
83.04958	0.4
85.02898	0.6
85.06539	0.5
85.83504	0.3
91.05485	0.9
93.03418	0.6
93.07060	1.0
95.04970	100.0
95.08603	2.5
96.05307	1.2
97.02908	1.0
97.06529	1.5
98.03669	0.4
98.20783	0.3
98.21321	1.1
98.98473	2.2
99.04452	1.1
105.03410	3.7
105.04499	5.8
105.07011	1.0
107.08543	0.4
108.02094	0.7
109.02882	0.8
109.06563	0.6
109.10153	0.6
110.03643	0.8
111.04452	1.0
111.08036	0.4
113.06036	0.4
119.01970	0.3
119.08597	0.5
121.03963	0.5
121.10135	0.4
123.04430	80.5
123.08051	1.3
124.04707	0.5
125.02346	4.7
127.07549	1.4
133.02789	0.6
137.02368	0.7
137.05995	1.8
137.09621	1.5
139.07558	0.4
140.04686	32.4
147.08040	0.6
148.81111	0.3
153.07098	0.4
155.07036	18.1
165.01822	1.3
165.09099	1.2
165.12758	0.4
168.09283	0.4
183.02914	1.6
183.06602	5.4
183.09067	2.6
183.11580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02388	1.2
53.03949	14.0
55.01871	4.3
55.05516	0.8
65.03946	5.0
67.05505	10.5
69.03424	0.8
69.68031	3.0
71.04992	0.9
77.03941	2.5
79.05484	1.5
81.03413	2.8
81.07055	2.3
85.02894	0.6
91.05478	1.0
93.07063	1.6
95.04971	100.0
95.08594	1.9
96.05308	1.2
97.02899	1.7
97.06527	0.5
98.03645	0.6
98.98470	2.2
99.04457	1.1
105.03378	3.9
105.04510	6.1
105.06996	0.7
108.02129	0.8
109.02880	1.5
109.06536	0.9
109.10175	1.5
110.03661	1.2
111.04445	0.9
119.08579	1.0
121.03983	1.1
121.10159	0.9
123.04431	80.5
123.08073	1.1
124.07590	10.6
125.02359	4.7
137.02356	1.2
137.06012	0.9
137.09613	1.6
138.09146	0.8
140.04688	32.7
147.08072	0.5
155.07040	20.4
165.01834	1.0
165.09106	0.9
166.08621	1.8
183.02966	1.1
183.06567	5.1
183.08041	0.9
183.10045	1.2
183.11456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33269	0.3
58.38902	0.3
61.58017	0.3
69.91295	1.2
73.75084	0.3
82.01428	0.3
82.99825	1.9
95.04982	0.5
98.98456	0.5
100.02489	0.8
101.00878	29.4
105.03377	0.7
118.03532	2.1
119.01922	100.0
124.02428	3.1
133.03502	1.1
136.04565	0.8
137.02959	25.5
142.03499	32.8
150.88127	0.3
151.04538	0.4
152.97455	0.3
160.04559	17.0
161.02954	6.9
165.05084	1.0
177.00912	0.6
178.05595	3.7
179.04031	9.3
183.06180	0.5
184.04573	0.5
202.05606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02385	1.1
53.03949	13.8
53.80429	0.6
55.01870	3.6
55.05516	1.2
57.03416	0.9
65.03943	5.5
67.05163	0.9
67.05505	11.2
68.05849	0.6
68.32368	0.5
69.07076	0.8
71.04984	0.6
71.56944	0.7
77.03912	1.5
77.68102	0.6
79.05486	1.8
81.03410	2.9
81.07053	2.3
83.04980	0.6
85.02906	1.2
91.05486	4.0
92.00682	0.5
93.03392	0.5
93.07050	2.1
95.04974	100.0
95.08609	4.4
96.05299	0.6
97.02900	1.6
97.06543	1.3
98.98472	3.7
99.04449	1.8
101.02351	0.5
105.03404	7.0
105.04507	6.4
105.07018	1.2
109.02888	0.8
109.06522	2.0
109.08479	0.8
109.10161	1.7
110.03673	0.8
111.04430	1.0
119.01930	1.0
119.08577	5.3
121.04010	0.7
123.04435	76.9
123.08064	2.3
125.02341	4.6
127.07585	0.7
133.02881	1.0
137.02303	1.1
137.05963	2.1
137.07910	1.3
137.09608	3.0
140.04686	28.4
147.08055	1.4
155.07033	18.3
155.08922	0.8
165.01903	0.8
165.07472	1.2
165.09106	2.0
183.02864	0.6
183.06689	5.5
183.09183	8.6
183.11618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01860	1.1
55.05516	7.3
57.03429	2.3
57.07060	2.4
58.02964	35.2
58.44404	0.6
59.05013	0.8
67.03446	0.6
67.05166	1.1
67.05505	19.9
69.07072	61.8
69.24165	1.2
69.24564	6.0
70.06580	3.1
70.07393	1.0
72.08160	1.4
73.41638	0.7
74.06071	0.9
79.05499	6.9
81.07059	19.1
82.06561	1.5
83.04973	1.1
83.08615	6.4
84.08144	8.9
86.06061	1.2
88.01015	0.6
91.05466	4.9
93.07055	9.6
95.04971	2.5
95.08605	7.5
97.06541	3.7
98.06053	2.0
98.09692	2.9
98.21351	2.5
100.07623	6.5
105.07039	14.9
107.07860	1.2
107.08599	18.6
108.08143	0.6
109.06508	2.4
109.10160	44.4
111.08105	0.6
112.07569	3.2
114.09166	13.2
116.29554	0.6
116.98653	0.7
119.08591	1.4
121.10117	1.9
123.11721	7.3
126.09151	14.6
126.12807	1.3
128.10754	1.1
133.10132	29.9
135.11699	19.4
138.12784	21.9
140.10695	1.8
140.14368	1.0
147.11662	5.0
151.11188	10.8
153.12747	12.8
154.15926	1.4
164.14359	2.9
165.12730	2.9
182.15417	100.0
183.15749	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.73294	1.1
53.03938	4.7
55.01859	2.0
55.05500	4.4
57.66557	1.4
58.02953	2.5
62.80038	1.2
65.03932	5.6
67.05510	21.9
68.05016	2.0
69.07056	4.8
70.02953	2.5
70.06575	2.0
70.34938	5.3
73.28261	1.3
73.93917	1.2
79.05059	2.4
79.05495	31.6
80.04980	1.9
81.03400	3.3
81.07057	41.3
82.06569	2.5
83.08624	2.4
84.08140	2.4
86.02419	6.8
91.05500	6.7
92.04984	1.4
92.05817	2.2
93.05789	9.3
93.07024	1.6
94.06566	2.3
95.04972	16.0
96.04478	2.5
96.05727	1.7
97.05243	2.4
97.06525	10.5
98.06045	4.8
98.09683	4.0
98.21183	2.4
104.40841	1.4
105.03385	3.3
105.07027	1.7
106.06547	2.5
107.07315	5.5
108.04468	1.4
108.05257	2.0
108.08122	76.6
109.06544	8.2
110.06041	8.2
111.04447	1.4
118.06515	2.8
120.04444	1.4
120.05248	2.7
121.05219	3.6
122.03632	1.4
122.06022	4.9
122.06830	2.2
123.04430	9.5
124.07600	1.7
125.06003	27.2
126.05523	34.6
126.09163	24.1
127.07561	2.0
133.06485	1.5
136.07584	100.0
137.05992	7.7
137.07889	1.2
138.05455	3.0
138.06339	5.4
140.04611	3.3
140.61311	1.5
141.05449	1.6
145.63776	1.5
149.98701	1.3
152.06993	1.9
153.05452	4.4
153.07829	2.7
154.07532	1.5
154.08630	37.2
155.07047	2.1
164.07077	92.4
166.98599	1.3
172.06796	1.3
182.08125	99.3
182.18982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03946	1.0
55.01871	0.9
55.05506	0.6
56.96565	8.3
57.03439	1.9
58.99852	0.7
61.02933	1.4
66.02850	0.3
66.90388	0.2
67.05505	0.3
69.03428	3.4
70.82100	0.6
70.82441	0.4
70.98114	0.4
70.99847	0.5
71.01359	0.4
71.04993	1.2
71.95280	0.3
73.02922	2.1
74.00258	0.3
77.00896	0.4
78.95257	0.5
79.05498	0.3
81.03413	1.9
81.07053	0.3
82.01466	1.0
83.00780	0.3
83.04984	1.0
84.96019	1.5
85.02901	3.5
87.04472	0.6
88.03989	0.5
91.02457	0.5
91.05480	15.9
93.05768	0.3
95.03485	0.4
95.04965	6.0
97.02888	4.9
97.96823	0.3
98.03182	0.4
98.21235	0.4
98.97581	6.4
99.04450	1.2
99.97943	0.6
100.02478	2.9
101.00873	1.5
103.00526	0.4
103.02399	0.6
103.05471	0.8
107.04962	0.4
108.08115	5.4
109.02888	0.9
109.06520	0.7
110.01302	0.7
110.97577	1.1
111.02931	0.3
112.99144	0.9
113.00877	1.1
115.02443	1.2
115.03886	0.4
116.98624	2.8
117.03954	0.4
117.05723	0.3
118.03525	1.1
118.06505	1.5
119.01897	3.1
119.04946	16.1
121.02174	0.3
121.06516	0.5
122.03127	0.3
122.06062	0.5
122.94232	0.4
123.04432	21.2
123.06776	1.1
124.02683	0.3
125.04478	0.3
126.98788	0.4
127.03901	0.9
128.02248	0.4
128.98622	0.8
129.02266	0.6
129.03937	0.6
131.00223	0.7
131.01901	5.6
131.03595	0.5
131.04521	0.3
132.03427	0.8
133.01703	0.5
133.03458	2.5
134.99666	0.8
135.03232	0.6
136.07578	100.0
137.02911	0.4
137.07904	0.9
138.05444	0.4
139.02422	0.3
140.98570	1.5
141.03915	0.5
142.03505	0.7
143.00175	0.8
143.01869	1.0
144.99797	2.1
145.03462	0.9
145.04900	0.3
146.99640	0.6
147.03241	0.7
147.04332	6.9
149.01212	0.5
149.02939	1.8
151.06311	0.6
152.05009	0.4
154.03508	2.6
154.07326	0.4
155.01833	0.6
157.03427	0.5
158.99628	3.8
159.01376	1.3
159.03282	1.0
159.05028	1.7
161.01225	0.6
161.02895	1.1
161.04518	0.8
161.05756	1.3
162.03145	0.4
163.00902	0.3
164.05672	2.0
164.07057	5.4
165.05467	10.5
168.01399	0.8
170.05162	2.4
170.99641	0.3
172.04527	0.5
173.01236	0.6
173.03038	0.5
173.04761	0.3
177.00693	3.7
177.02446	2.8
177.04337	1.2
177.06055	0.9
181.97772	0.3
182.02928	0.8
182.04643	0.6
182.06870	1.1
182.08124	26.9
185.02937	0.4
191.94843	0.3
195.01741	0.7
195.03406	0.6
195.05327	0.3
195.07144	0.4
199.93558	0.3
200.03986	1.0
201.00661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1587
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.03934	7.7
55.01881	9.1
55.05512	99.9
56.96564	12.6
57.03440	10.8
57.07074	17.9
57.31212	1.6
59.04992	3.9
65.03918	5.5
67.05174	3.5
67.05506	48.2
69.03423	8.2
69.07068	66.0
71.04993	18.6
71.08609	1.9
71.56551	2.8
71.95250	2.4
75.13517	1.7
79.05058	3.4
79.05491	46.8
81.03401	4.8
81.07059	88.5
82.04186	2.1
83.01324	4.8
83.04984	19.4
83.08621	75.7
84.81550	1.6
85.02883	3.8
85.06548	11.9
86.35249	1.7
91.04976	2.3
91.05483	28.1
92.05823	2.7
93.03390	3.3
93.07047	79.4
94.07352	3.1
95.04977	11.7
95.08607	79.6
97.02897	4.3
97.06535	33.7
97.10170	41.7
98.97586	82.4
99.04442	2.6
99.08061	2.7
103.05425	7.7
105.07051	10.0
106.04164	2.9
107.04942	7.7
107.08598	97.9
108.02156	1.9
109.06487	4.4
109.10155	24.9
110.03650	2.8
111.04440	6.0
111.08095	22.8
116.98627	94.8
119.04949	2.2
119.08576	7.1
121.06532	22.8
121.10145	78.3
123.04400	2.3
123.08081	6.2
123.11701	11.6
125.05984	15.8
125.09606	11.5
134.99666	86.4
135.04413	5.0
135.08055	6.5
135.11694	53.7
137.04861	1.8
137.05966	4.5
137.13226	6.2
138.05113	3.9
139.07547	9.2
139.11147	5.5
140.00188	6.9
145.02867	1.7
145.10132	16.0
148.04922	2.4
149.05971	11.6
153.00734	8.9
153.01810	2.3
153.05377	3.8
153.07300	5.7
153.09074	4.4
153.12744	3.6
153.95697	1.6
158.01260	14.4
163.03893	11.4
163.07559	3.4
163.11197	43.9
163.14828	75.2
165.06967	5.6
166.06203	3.7
166.07826	8.1
171.06503	2.6
181.01315	4.1
181.04971	57.9
181.06410	3.3
181.08517	16.7
181.10280	13.2
181.12227	100.0
181.15862	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.52146	1.1
51.02361	1.9
53.00298	1.4
53.03950	13.5
55.01875	12.3
55.05514	12.4
56.96568	2.3
57.03436	5.5
57.07063	4.0
59.04994	1.3
62.05602	1.2
63.02434	1.1
65.03944	34.2
67.05171	1.3
67.05511	25.5
68.99786	3.0
69.03433	11.9
69.07075	13.8
71.01354	3.4
71.04997	8.4
71.57574	1.6
75.04485	8.5
77.03907	2.2
78.04713	4.9
79.05497	51.5
80.06283	1.4
81.03419	5.5
81.07062	38.5
82.04220	9.5
83.04993	11.9
83.08612	3.7
85.02907	17.3
85.06550	3.3
89.03929	3.6
91.05485	72.8
92.06290	2.8
93.03404	13.1
93.07052	87.9
94.04191	1.7
95.04976	35.5
95.08608	28.3
97.02888	4.9
97.06536	25.9
98.97592	12.8
99.04449	2.1
103.05473	30.6
105.03426	1.6
105.04513	5.7
105.07037	27.9
106.04178	16.1
107.04950	12.5
107.08598	39.7
108.02101	5.7
108.05732	3.1
109.06547	10.8
109.10165	19.7
110.03667	12.3
111.04451	12.6
111.08117	8.5
116.98630	17.9
117.03439	2.3
117.07013	6.5
119.04958	8.4
119.06020	1.2
119.08581	9.2
120.02132	1.7
120.05715	5.5
121.02840	1.4
121.06512	100.0
121.10150	73.1
122.07318	1.5
123.00816	4.2
123.04452	4.5
123.08085	21.6
123.11722	3.3
124.05168	2.9
125.06002	20.9
125.09602	2.3
130.07794	2.9
131.04944	2.4
131.06052	1.7
133.02892	2.4
134.03639	5.8
134.99666	12.7
135.04454	9.4
135.08075	8.1
135.08963	1.4
135.11703	20.1
136.05177	4.1
137.02373	2.1
137.05983	22.6
137.09627	3.3
138.03130	8.1
138.06787	7.1
139.07568	13.0
139.11197	10.9
142.02591	7.4
143.08591	1.5
145.02840	3.0
145.10130	45.7
148.05208	7.4
149.05988	48.3
150.06419	1.4
151.03893	3.3
151.07527	8.0
152.08325	2.2
153.00769	1.9
153.05492	4.7
153.09113	11.5
153.12724	3.8
158.01324	1.3
163.03928	10.6
163.07550	6.3
163.11195	58.8
163.14848	7.8
165.06961	1.8
166.02612	2.2
166.06305	11.5
166.07716	2.1
171.06517	13.2
181.01407	3.9
181.04987	94.0
181.06670	4.4
181.08604	66.1
181.12228	84.3
181.15878	3.5
182.12579	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02373	1.0
51.77486	1.0
53.03947	8.0
55.01865	6.7
55.05299	1.0
55.05513	10.9
56.96551	4.2
57.03423	4.3
57.07062	4.5
59.05000	1.9
61.50160	1.3
65.03943	14.8
67.05176	1.1
67.05508	18.7
68.99783	2.5
69.03427	9.0
69.06715	1.2
69.07068	14.7
71.01342	3.2
71.04997	10.7
71.57789	1.7
73.06558	1.0
74.36198	1.1
74.61926	1.2
75.04466	1.7
77.03916	2.3
78.04690	1.4
79.05495	50.0
79.05960	2.4
81.03392	3.9
81.07054	38.8
82.04187	4.2
82.07349	1.2
83.04983	11.9
83.08611	3.1
85.02901	7.9
85.06532	3.1
89.03929	2.3
91.05483	39.9
93.03395	4.8
93.07047	69.6
94.07349	1.4
95.04974	20.4
95.08609	28.8
97.02905	6.2
97.06530	21.8
97.10184	1.3
98.97585	20.1
99.04496	1.4
103.05491	11.6
105.04526	4.0
105.07030	31.3
106.04168	3.3
107.04955	10.2
107.08598	42.8
108.02120	2.4
109.06516	9.0
109.10159	20.6
110.03670	5.4
111.04447	8.5
111.08087	9.0
116.98636	19.5
117.07030	6.6
118.78356	1.0
119.04958	9.0
119.08595	11.5
120.05712	1.6
121.06512	46.1
121.10146	81.5
122.03643	2.0
123.00754	1.5
123.04444	1.2
123.08086	18.8
125.02329	2.5
125.06002	12.9
125.09581	1.7
130.07802	3.6
131.04926	2.2
134.07253	1.8
134.99673	14.6
135.04456	7.1
135.08078	9.1
135.11703	26.4
136.05232	1.4
136.07526	1.6
137.05994	26.6
137.09579	3.5
138.03152	1.5
138.06721	2.9
139.03964	2.6
139.07565	11.6
139.11177	14.4
140.00327	1.3
142.02533	2.3
143.08546	2.6
145.02853	2.5
145.10120	56.9
148.05133	2.7
149.05986	15.2
151.03967	2.3
151.07507	5.6
153.00703	2.1
153.05440	4.2
153.06895	2.0
153.09122	4.2
153.12750	5.9
158.01219	2.6
163.03920	9.9
163.07541	4.3
163.11189	59.2
163.14824	2.3
166.06259	3.4
166.07733	2.5
171.06493	4.2
181.01364	8.8
181.04958	30.8
181.06516	5.0
181.08644	21.3
181.12233	100.0
181.15770	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03946	9.2
55.01854	6.6
55.05507	9.2
56.96555	1.8
57.03445	3.2
57.07051	3.0
59.04994	2.3
59.60751	1.6
65.03958	8.3
67.05501	13.4
68.07678	1.5
68.99792	1.8
69.03413	7.6
69.07068	13.6
71.01356	2.6
71.04986	9.2
71.17794	3.7
77.03926	2.5
79.05053	3.3
79.05492	46.4
81.03443	3.1
81.07063	31.2
83.04979	8.1
83.08643	2.5
85.02905	6.1
85.06532	2.7
89.80122	1.7
89.96188	1.7
91.05479	38.2
93.03416	3.2
93.07051	56.5
95.04976	17.0
95.08610	26.0
95.76542	1.4
97.02926	2.7
97.03789	1.6
97.06529	17.9
98.21246	2.4
98.97591	16.5
103.05487	10.6
105.04498	1.9
105.07034	31.2
106.04154	3.0
107.04982	8.1
107.08591	31.1
109.06509	10.4
109.10165	17.9
110.03649	3.3
111.04438	5.2
111.08102	9.2
116.98617	13.0
117.07007	6.0
119.04967	14.2
119.08568	8.4
121.02853	1.8
121.06510	39.0
121.10149	68.5
122.03646	4.2
123.08085	18.4
125.05984	8.0
128.57188	1.6
130.07780	5.2
131.04893	3.3
134.03667	1.9
134.99666	4.7
135.04416	5.3
135.08023	4.7
135.10782	3.0
135.11690	22.9
136.05231	1.8
137.05969	36.0
137.09666	2.5
138.03070	2.4
139.07550	12.0
139.11206	14.7
142.02637	2.3
145.10136	50.6
149.06007	12.0
151.07465	8.4
153.05518	1.8
153.09077	3.0
153.12721	4.6
163.03888	8.7
163.07538	3.1
163.09831	3.9
163.11189	65.2
166.06236	2.2
166.07722	2.2
181.01363	2.7
181.04984	25.1
181.06509	3.0
181.07176	1.9
181.08687	18.6
181.12239	100.0
201.56197	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	7.7
55.01878	7.8
55.05511	11.7
56.96545	2.7
57.03428	4.5
57.07072	2.3
59.04991	2.6
65.03943	10.5
65.89117	1.4
67.05507	18.5
69.03426	6.9
69.07074	13.1
69.46056	11.6
71.05000	11.5
77.03919	2.4
78.04691	1.5
79.05057	2.6
79.05497	49.7
81.03412	3.9
81.07060	34.8
82.04194	2.8
82.93340	1.6
83.04997	11.8
83.08620	3.5
85.02916	7.0
85.06531	4.4
88.02515	1.3
89.03898	1.7
91.05480	43.6
93.03408	3.3
93.07049	72.9
95.04973	19.8
95.08611	27.6
95.69752	1.6
97.02905	3.7
97.06534	24.7
98.20934	5.1
98.97589	16.3
103.05473	14.2
105.04520	2.8
105.06370	2.7
105.07035	35.6
106.04118	3.0
107.04966	10.2
107.08603	37.8
108.02093	2.0
109.06533	10.9
109.10160	22.1
110.03656	3.9
111.04461	9.6
111.08070	7.5
113.05965	1.6
116.98640	13.8
117.07059	7.8
119.04959	11.7
119.08573	7.9
121.06512	42.1
121.10142	69.3
122.03638	3.4
123.08080	22.8
125.02332	2.5
125.05997	15.3
125.09638	2.9
130.07759	4.1
131.04955	2.7
133.06458	1.7
134.99678	7.4
135.04410	6.6
135.08052	10.8
135.11682	22.9
137.05984	32.8
137.09619	4.1
139.03912	1.8
139.07544	14.7
139.11191	14.4
145.02902	1.7
145.10124	58.4
146.10483	1.9
148.05174	3.2
149.05981	12.6
151.07527	8.3
153.05489	1.8
153.07072	2.3
153.09067	3.1
153.12718	6.1
163.03925	13.0
163.07561	3.6
163.11188	63.2
163.14903	1.5
166.06267	3.6
171.06523	1.9
181.01292	6.3
181.04961	37.9
181.06525	6.2
181.08621	23.2
181.12242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.24086	1.5
53.03941	8.4
55.01656	1.7
55.01878	18.2
55.05294	1.8
55.05515	16.6
57.03427	5.7
57.07069	4.7
65.03939	17.3
67.05517	19.2
69.03423	7.7
69.07069	25.4
71.01988	3.4
71.02298	1.6
71.04980	7.0
75.04471	2.7
77.03912	3.1
79.05495	63.8
81.03416	4.5
81.07061	22.6
82.04191	7.3
83.04990	19.7
83.08600	4.4
85.02892	10.4
85.06539	2.0
89.03905	3.7
90.34169	1.5
91.05483	46.5
93.03405	7.1
93.07048	100.0
94.07393	1.8
95.04981	21.5
95.08606	7.7
97.02888	4.4
97.06537	87.2
98.97130	1.5
98.97596	19.1
103.05480	14.7
105.04511	3.9
105.07037	23.4
106.04163	4.9
107.04972	14.0
107.08599	36.0
108.02062	3.5
109.06523	16.0
109.10155	3.0
110.03658	6.4
111.04435	11.8
111.08084	5.5
112.72666	1.5
116.98642	16.8
117.07042	12.7
119.04942	4.0
119.08581	44.4
121.05643	3.2
121.06515	57.9
121.10148	86.4
123.00739	2.5
123.04421	2.0
123.08083	8.0
125.02380	2.3
125.06011	13.2
127.07525	2.3
130.07802	6.1
133.02884	2.1
133.10161	2.0
134.03624	1.7
134.99649	7.0
135.04413	6.4
135.08083	10.4
135.11691	24.0
136.07600	3.3
137.05974	12.2
137.09663	3.3
138.03123	3.0
139.07504	3.0
139.11191	1.8
142.02608	2.3
143.08614	2.4
145.02808	4.4
145.10130	53.7
148.05099	2.0
148.08754	1.7
149.05994	19.4
151.07494	3.3
151.11182	2.9
153.05469	3.9
153.09148	4.2
153.12730	10.5
163.03903	14.3
163.07536	2.1
163.11194	72.6
164.07056	5.1
166.06256	6.2
168.60852	1.7
171.06517	5.5
181.01308	3.9
181.04985	43.5
181.06509	3.9
181.08650	24.7
181.12230	76.9
181.15822	3.1
182.15440	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03976	2.5
53.67618	0.8
55.01897	2.5
55.05537	3.1
56.96589	1.2
57.03458	1.6
57.07079	25.5
59.05028	2.4
65.03966	3.6
67.05516	4.0
69.03462	2.6
69.07082	4.5
71.05000	1.3
71.24564	0.8
71.24908	1.7
79.05495	12.0
81.03423	7.6
81.06665	1.1
81.07053	5.1
82.04243	0.8
82.35032	0.9
83.04984	45.2
83.08630	1.0
84.26574	0.7
85.02940	2.2
89.03928	1.2
90.53023	0.7
90.56061	0.7
91.05477	11.2
93.03425	1.0
93.07048	14.9
95.04971	20.9
95.05543	1.3
95.08639	2.6
97.02945	1.4
97.06532	25.6
97.07126	1.4
98.21306	0.8
98.97585	5.6
103.05476	4.1
105.07049	5.9
106.04203	0.9
107.04974	3.0
107.08596	15.1
107.09283	1.0
109.06510	1.5
110.03694	1.2
111.04437	1.4
111.08115	0.9
116.98617	4.1
117.03381	1.0
117.07048	2.6
119.04932	0.9
119.08586	4.9
121.06497	11.3
121.10149	18.6
122.78585	0.7
123.04447	1.6
123.08072	2.8
125.02399	1.0
125.05995	63.7
130.07825	2.6
131.06082	0.8
134.99667	3.0
135.04437	4.8
135.08083	3.4
135.11711	8.4
137.05988	2.3
139.07564	1.1
145.02869	2.3
145.10123	10.4
149.05951	3.7
153.00662	0.8
153.01851	0.8
153.05443	1.4
153.09111	1.2
163.03928	9.5
163.07536	1.9
163.11189	100.0
164.11548	0.9
166.06245	1.2
171.06519	1.4
181.01395	1.6
181.04938	9.6
181.06502	2.3
181.08669	6.5
181.12234	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.35645	1.0
53.03941	3.0
55.01870	4.2
55.05518	2.4
56.96556	1.3
57.07079	23.1
59.04993	3.7
60.82839	1.0
67.05505	2.3
68.99812	1.1
69.03425	4.3
69.07058	3.8
69.38986	9.5
79.05496	10.7
81.03400	6.3
81.07066	6.0
83.01357	1.8
83.04980	47.2
91.05467	5.1
92.32973	1.0
93.07040	8.1
95.04969	15.0
95.08620	2.0
97.02879	1.6
97.06532	30.0
98.20738	1.9
98.21303	3.7
98.97567	6.1
103.05466	1.3
105.07001	5.4
107.04933	5.1
107.08591	11.5
109.06493	2.3
111.04468	1.5
116.97236	2.2
116.98593	5.0
117.07053	3.1
119.08598	2.4
121.06484	3.3
121.10158	13.8
125.05991	69.7
126.06353	1.4
129.96234	1.0
130.07813	3.1
134.99652	4.2
135.04442	1.8
135.08034	2.2
135.11685	6.2
139.03860	1.4
145.10139	9.5
153.01825	2.2
153.05449	8.4
163.03934	1.3
163.11182	100.0
164.11559	2.4
165.06984	2.1
166.07831	3.3
181.04956	33.6
181.06512	2.1
181.08589	4.4
181.10164	4.5
181.12238	30.6
183.28549	1.2
186.14188	0.9
190.36671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01866	2.6
55.05506	3.4
57.03450	1.4
57.06823	1.4
57.07082	24.1
59.04987	3.5
65.03960	1.3
67.05496	3.2
69.03418	3.3
69.07066	4.6
71.05001	1.3
72.31350	0.9
74.49952	0.9
75.82809	1.0
78.65849	1.1
79.05495	13.5
79.56338	0.9
81.03425	7.3
81.07067	5.6
83.01339	2.5
83.04984	51.4
83.08595	1.4
84.32383	1.1
91.05477	4.8
93.07056	11.1
95.04969	20.5
97.06535	29.5
98.21115	7.9
98.97584	7.6
104.60667	1.0
105.07037	7.6
107.04951	5.0
107.08601	11.8
116.98629	7.3
117.07029	2.6
119.08566	2.9
121.06522	4.2
121.10160	14.3
123.04428	3.6
125.05997	72.5
130.07799	2.3
132.87013	1.3
134.99699	5.1
135.04433	1.7
135.08046	1.6
135.11681	8.6
138.03142	3.2
145.10170	12.6
153.05479	16.6
163.11191	100.0
164.11522	2.2
165.07027	3.2
166.02657	1.1
166.07706	2.8
181.04967	49.2
181.08740	8.8
181.10159	6.1
181.12228	33.6
184.03749	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	0.7
53.93979	0.4
55.01867	1.0
55.05495	1.8
55.96849	0.4
57.07061	1.8
59.05000	4.0
59.91407	0.5
67.05513	3.2
69.03442	2.1
69.07066	3.3
69.40255	3.0
70.94978	0.4
77.03963	0.4
79.05497	6.7
81.07063	6.6
83.04971	1.5
83.08595	0.9
91.05483	4.4
93.07047	19.8
95.04965	1.1
95.08608	13.5
97.06557	2.7
98.21268	1.7
98.97589	5.2
103.05460	0.7
105.07043	3.6
105.33180	0.4
107.04961	1.1
107.08597	31.8
109.06535	0.6
109.10151	3.0
111.04456	1.5
111.08072	1.9
116.98617	3.1
117.07001	1.3
119.08581	4.8
120.35663	0.4
121.06513	5.2
121.10146	18.6
121.11026	1.0
123.08086	3.8
125.06004	3.3
130.07755	0.8
134.99658	1.4
135.08099	0.7
135.11694	43.5
136.12029	0.7
137.09702	0.6
137.13219	1.5
139.07539	9.2
145.09021	0.8
145.10124	12.1
153.12709	2.3
154.34047	0.5
163.03868	0.6
163.11180	29.7
181.04982	3.3
181.12234	100.0
182.12614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03952	1.5
55.01872	1.1
55.05492	0.7
56.96571	2.2
57.03429	0.3
57.07061	0.7
63.54914	0.3
65.03935	0.4
67.01850	0.3
67.05505	1.7
67.55727	0.2
68.99779	0.3
69.03431	1.8
69.07076	1.7
71.01332	0.2
71.57914	0.4
71.95277	0.5
77.03902	0.3
79.05057	0.4
79.05493	5.8
81.03402	0.9
81.07047	0.9
83.01337	3.6
83.04974	2.0
83.08597	0.3
85.02914	0.3
91.05481	0.8
93.07053	1.7
95.04972	2.4
95.08610	0.4
97.02893	4.3
97.06530	4.1
97.10154	0.3
98.97582	14.3
105.04512	0.4
105.07017	0.5
107.04958	4.1
107.08598	1.5
109.02870	0.6
110.03624	0.9
111.04427	0.8
111.08018	0.3
116.97221	0.8
116.98618	14.6
117.07038	0.3
119.08552	0.3
121.06498	0.5
121.10139	1.7
123.04385	0.4
123.08048	0.2
125.05064	0.3
125.05984	5.6
125.09623	0.3
129.76494	0.2
134.99657	15.0
135.04424	2.1
135.08034	0.5
135.11696	0.7
138.03108	0.7
139.03934	0.6
140.00195	1.8
145.10146	0.4
149.15199	0.2
153.00717	2.7
153.05469	1.9
155.03412	0.3
158.01277	2.2
163.03928	1.7
163.07475	0.6
163.08817	0.2
163.11211	2.4
163.14841	0.3
166.07765	0.5
179.03394	1.1
181.04958	100.0
181.12132	1.6
181.15845	1.7
182.05315	1.8
184.03653	0.7
197.04449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0491
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.00256	0.2
53.03942	1.1
55.01868	0.7
55.05502	0.6
56.96554	0.4
57.03431	0.3
57.07061	0.5
63.66291	0.2
65.03940	0.5
67.01855	0.3
67.05512	1.2
68.99796	0.4
69.03441	2.0
69.07073	1.2
69.83633	1.3
77.03914	0.4
77.62044	0.2
79.05494	5.0
81.07038	0.7
83.01337	4.5
83.04975	1.7
85.02905	0.7
91.05472	0.6
93.07038	1.0
95.04967	2.0
97.02895	4.9
97.06537	3.6
98.21232	0.6
98.97582	3.0
105.04521	0.4
107.04960	3.6
107.08581	0.8
110.03660	0.3
111.04472	0.3
111.08106	0.3
116.98631	2.4
119.08540	0.2
121.06522	0.5
121.10146	0.8
123.04414	0.2
125.05992	5.1
125.09673	0.3
134.99658	1.7
135.04402	1.4
139.03810	0.3
140.00209	0.3
145.10135	0.4
153.00655	0.4
153.05453	2.5
158.01276	0.6
163.03925	0.6
163.07513	0.5
163.11201	3.0
179.03358	1.5
180.66933	0.2
181.04965	100.0
181.12202	0.8
182.05293	2.3
197.04547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.049
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03944	1.2
53.04160	0.2
55.01863	0.9
57.03428	0.3
57.07061	0.9
60.66292	0.3
65.03927	0.3
67.01865	0.4
67.05502	1.4
68.99778	0.3
69.03423	2.0
69.07066	1.5
69.60188	1.5
76.12369	0.2
77.03902	0.5
79.05489	5.3
81.03425	0.4
81.07048	0.5
83.01340	4.1
83.04980	2.4
85.02893	0.6
91.05476	0.4
92.95751	0.2
93.07043	0.6
95.04959	2.5
97.02889	4.7
97.06537	4.3
97.54319	0.2
98.21123	0.8
98.97591	1.3
101.31979	0.2
105.04546	0.5
105.07025	0.4
107.04290	0.3
107.04964	3.7
107.08615	0.6
110.03651	0.5
111.04438	0.4
116.98588	1.3
119.08561	0.3
121.10125	0.7
125.05987	6.7
134.91255	0.2
134.99640	1.5
135.04433	1.3
135.08040	0.4
135.11687	0.4
145.10110	0.4
153.05441	1.6
153.09032	0.3
158.01192	0.4
163.03902	0.4
163.07515	0.4
163.11176	4.9
179.03374	1.3
181.04955	100.0
181.12132	1.7
182.05296	2.0
197.04489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03934	0.4
55.01863	1.0
55.05493	0.4
56.96561	1.2
57.07069	0.4
64.03133	0.3
65.03926	0.6
66.18996	0.2
67.05501	2.1
68.99776	0.9
69.03412	1.0
69.07064	0.6
79.05513	1.2
81.03405	0.6
81.07059	0.7
82.04192	0.4
83.01343	8.3
83.04969	1.6
91.05486	0.4
93.07037	0.7
95.04966	1.9
96.02120	0.3
97.02889	0.5
97.06550	1.1
98.97584	8.1
105.07011	0.4
107.04958	0.9
107.08607	0.7
110.03654	1.5
111.00767	0.3
111.04440	1.0
111.08079	0.3
116.97265	0.5
116.98629	7.1
121.10153	0.8
125.02316	0.4
125.05987	2.0
125.09628	0.2
126.73770	0.2
134.99660	5.8
135.04420	0.8
135.08046	0.3
135.11697	0.7
138.03122	15.8
139.03900	0.5
140.00204	0.9
141.05431	0.5
151.03906	1.0
153.00706	0.7
153.05447	1.3
158.01228	0.9
163.03917	0.8
163.07617	0.2
163.11221	1.3
164.86200	0.2
165.06947	0.4
166.02621	6.3
176.02275	0.3
179.03412	0.4
181.04956	100.0
181.12228	1.0
182.05333	1.5
184.03679	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	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03951	1.5
55.01857	1.0
55.05500	0.6
56.96556	1.2
57.03419	0.3
65.03936	0.7
67.01886	0.3
67.05508	2.0
68.99762	0.3
69.03431	2.2
69.07066	1.6
69.91465	0.6
69.91861	0.5
77.03921	0.4
79.05496	5.9
81.03417	0.6
81.07042	1.0
83.01340	4.6
83.04977	1.0
85.02897	0.5
91.05480	1.1
93.07042	1.4
94.77604	0.3
95.04972	2.9
95.08598	0.3
97.02894	5.1
97.06535	4.2
98.21364	0.3
98.97585	10.2
99.59363	0.2
105.04525	0.7
107.04955	4.1
107.08570	1.0
110.03658	0.7
111.04429	0.6
111.08097	0.4
115.05461	0.2
116.97352	0.4
116.98626	9.3
117.07035	0.4
119.66742	0.2
121.06489	0.4
121.10154	1.1
125.05988	4.7
134.99667	5.7
135.04405	1.6
135.08057	0.7
135.11710	0.7
139.03931	0.4
140.00180	0.9
145.10158	0.3
153.00739	1.1
153.01840	0.3
153.05467	1.7
153.12753	0.3
156.92659	0.2
158.01245	1.0
163.03902	1.1
163.07550	0.7
163.11208	1.2
163.23184	0.3
165.06863	0.3
166.02596	0.3
166.07837	0.4
179.03365	1.4
181.04962	100.0
181.12047	1.2
182.05345	1.6
197.04471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02382	0.2
53.03958	1.3
53.04162	0.2
55.01870	0.6
55.05507	0.8
56.96555	0.5
57.07066	0.6
59.63204	0.2
65.03951	0.3
67.01857	0.4
67.05511	1.6
68.99791	0.4
69.03447	2.0
69.07072	1.2
71.57723	0.2
71.58123	0.3
77.03912	0.3
79.05496	6.0
81.03419	0.5
81.07056	0.6
82.14486	0.2
83.00882	0.4
83.01348	4.6
83.04984	2.1
83.08591	0.3
83.70017	0.2
85.02911	0.5
91.05476	0.8
93.07034	0.8
95.04974	2.9
95.08604	0.4
97.02898	4.5
97.06539	4.1
98.97599	2.0
105.04530	0.3
105.07009	0.2
107.04961	3.7
107.08587	0.9
107.62794	0.2
109.02945	0.2
109.10148	0.3
110.03692	0.4
115.05434	0.3
116.97321	0.2
116.98618	3.0
121.06545	0.4
121.10153	1.5
123.04447	0.6
125.05996	5.7
134.99677	1.8
135.04424	1.5
135.08066	0.5
135.11703	0.3
138.03101	0.3
140.00119	0.2
145.10127	0.7
153.00711	0.4
153.05467	4.3
158.01245	0.5
163.03871	0.5
163.07587	0.5
163.11186	3.2
165.06953	0.3
166.07756	0.3
179.03381	1.5
181.04965	100.0
181.12099	1.2
182.05322	1.7
197.04395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0489
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.80900	0.3
53.03942	1.3
55.01864	0.8
55.05516	0.3
57.03435	0.4
57.04561	0.5
57.07064	0.9
65.73422	0.3
67.05492	1.3
69.03436	2.2
69.07080	1.4
69.56406	2.2
77.03937	0.4
79.05500	5.7
81.03414	0.4
81.07034	0.8
83.01347	3.7
83.04991	1.9
91.05494	0.7
93.07050	0.8
95.04971	2.8
95.08595	0.5
97.02885	4.9
97.06532	5.2
98.21306	1.1
98.97587	0.5
99.05592	3.2
105.04501	0.6
105.07029	0.4
107.04951	4.4
107.08600	0.8
110.03653	0.6
111.04373	0.3
111.08023	0.5
116.98637	0.6
120.40846	0.3
121.06475	0.6
121.10126	1.4
122.07136	0.5
125.05153	0.5
125.05996	5.4
134.99677	0.8
135.04440	1.5
135.08046	0.6
135.11681	0.7
139.09784	0.6
145.10121	0.8
153.05469	1.9
163.03946	0.7
163.07532	0.7
163.11205	3.2
172.46245	0.4
179.03395	1.5
181.04959	100.0
181.12169	1.8
182.05353	1.6
197.04469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02375	0.2
53.03952	1.3
55.01881	1.9
55.05514	1.3
56.96574	2.1
57.03429	0.3
57.07067	0.6
64.81401	0.2
65.03939	0.5
67.01850	0.3
67.05509	2.8
68.99788	0.4
69.03436	3.3
69.07076	1.5
71.01354	0.3
71.04972	0.3
71.56801	0.3
71.95253	0.6
73.94599	0.2
74.52465	0.2
77.03914	0.4
79.05055	0.4
79.05495	6.2
81.03405	0.3
81.07066	1.2
83.01342	5.1
83.04987	1.9
83.08625	0.4
83.61161	0.2
85.02905	0.3
91.05495	1.3
93.07043	1.9
95.04972	2.9
95.08064	0.2
95.08582	1.1
97.02899	4.4
97.06533	5.3
98.97585	10.7
105.04486	0.4
105.07026	0.9
107.04967	4.0
107.08593	2.3
109.06519	0.6
110.03675	0.3
111.04451	3.4
111.08076	0.9
113.06012	0.2
115.05458	0.3
116.97272	0.4
116.98627	11.2
117.03302	0.2
117.06998	0.5
119.08553	0.3
121.06540	0.4
121.10167	1.6
121.64672	0.2
123.04509	0.3
124.05212	0.6
125.05994	5.6
125.09647	0.6
134.99664	10.3
135.04407	1.6
135.08043	2.0
135.11691	1.2
139.03889	0.4
139.07629	0.3
140.00241	1.2
145.10141	1.0
149.01262	0.3
153.00703	2.0
153.01828	0.8
153.05476	3.5
153.09132	0.5
153.12840	0.3
158.01245	2.1
163.03906	1.3
163.07555	1.3
163.11188	2.5
165.06938	0.2
166.07794	0.7
179.03438	1.6
181.04965	100.0
181.12189	4.3
181.15869	0.7
182.05286	2.0
197.04462	0.5
199.06113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.54996	0.4
53.03934	1.8
55.01863	1.0
55.05504	1.1
56.05015	0.6
57.03429	0.8
57.04543	0.9
57.07072	3.3
65.56020	0.4
67.05508	2.4
68.05013	0.7
69.03412	1.8
69.07048	1.5
70.06568	0.7
79.05498	6.3
81.03434	1.1
81.07055	1.1
83.01343	3.8
83.04986	6.3
85.02921	0.5
91.05477	1.5
93.07052	2.6
95.04970	4.3
97.02902	4.9
97.06537	6.7
97.07615	0.6
98.06023	0.5
98.07169	0.7
98.21105	3.2
99.05580	7.4
103.74645	0.5
105.07021	0.9
105.95791	0.4
107.04975	4.1
107.08579	1.8
110.03717	0.5
111.07982	0.9
112.08750	0.5
116.98581	0.8
117.07038	0.6
119.08572	0.6
121.06508	0.9
121.10172	2.9
121.10876	0.6
122.07130	1.0
123.09228	0.7
125.05994	11.0
135.04424	1.8
135.08086	0.4
135.11687	1.5
136.08711	0.5
139.08720	0.7
139.09805	1.5
145.10153	1.6
153.05458	1.4
163.03912	1.5
163.07492	0.8
163.09882	0.5
163.11179	12.9
179.03342	0.9
181.04961	100.0
181.10782	2.0
181.12111	4.7
181.14496	1.0
182.00986	0.5
182.05345	1.8
197.04485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	2.6
61.45583	1.3
68.11906	1.5
71.56479	2.3
85.39490	1.5
88.62147	1.7
90.78419	1.5
98.21301	1.8
98.97573	6.8
110.25950	1.7
111.00340	1.6
116.98640	4.0
119.01931	5.1
120.02008	3.2
120.95349	3.4
134.99696	2.8
136.93140	1.8
138.96407	12.5
139.02448	2.3
144.52840	1.7
145.02428	1.8
156.97491	100.0
157.03432	14.1
161.98012	3.1
168.89745	1.5
174.98557	68.5
175.02753	2.8
175.04500	2.9
179.99078	80.9
180.05092	2.0
180.99232	2.1
194.00696	1.7
198.00150	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	180.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90308	1.4
55.01860	4.5
56.97946	1.4
57.03422	1.6
59.31754	1.3
61.02921	1.7
65.03932	3.6
67.05503	4.0
69.03423	5.1
69.07072	2.1
69.82896	8.4
71.70376	1.4
72.58945	1.7
78.04708	3.8
79.05507	9.0
80.05008	2.4
80.05808	1.7
81.03398	1.8
81.07072	6.8
82.07394	2.3
83.05029	1.5
85.02907	14.1
91.05484	69.5
92.05775	1.7
92.06286	9.1
93.03408	2.5
93.07053	7.3
94.07366	2.3
95.04980	5.1
96.08931	2.9
97.02905	4.8
98.20897	2.1
98.21458	2.9
98.97584	3.4
102.04688	3.7
103.05492	10.9
104.06258	1.8
105.03400	15.3
105.07026	8.2
105.99382	1.4
106.04211	1.7
106.06551	4.6
106.07365	10.1
107.04929	2.2
107.08590	4.0
108.04502	7.3
109.02871	1.5
109.06539	3.8
113.50461	1.3
116.06230	2.3
116.98648	4.3
119.04951	55.0
120.05743	40.5
121.06525	7.8
123.04456	3.6
124.08416	1.6
127.03899	3.0
130.04144	3.6
131.04930	17.3
133.02870	10.7
133.06485	7.1
134.06007	5.6
134.07254	6.4
134.10498	10.2
134.99672	2.3
135.04430	2.7
135.08054	3.5
137.05981	39.7
147.04420	95.5
148.05190	14.1
149.05975	17.6
151.03947	6.8
151.07484	2.0
152.07042	2.8
152.08154	1.5
153.05495	4.1
161.05962	10.7
162.06700	3.5
162.09042	3.1
162.13658	1.5
163.07515	16.1
164.04678	1.5
165.05495	65.6
179.07074	5.9
180.07838	100.0
181.04935	7.3
181.06364	1.4
181.08540	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.67606	1.2
53.03934	4.1
55.01857	5.1
55.05516	19.3
57.03422	5.7
57.07059	5.8
65.03942	3.1
65.37543	1.2
67.05504	83.0
69.03436	9.0
69.06774	1.2
69.07066	15.0
70.34703	1.3
71.04998	8.2
71.44841	2.1
77.68349	1.2
79.05497	25.0
81.03378	3.2
81.07059	66.3
83.04976	5.7
83.08620	4.0
85.06540	1.6
85.10185	2.5
91.05486	18.3
93.07049	33.7
95.04974	17.1
95.08607	100.0
97.06519	3.4
98.21350	1.5
98.98426	3.8
103.05388	1.6
105.06380	2.0
105.07028	25.0
106.59368	1.3
106.60121	1.4
107.04942	2.0
107.08595	19.9
109.06525	10.3
109.10153	47.3
115.08537	1.3
117.07022	2.3
119.04933	4.4
119.08581	24.7
121.06503	1.7
121.10131	9.4
123.04413	4.3
123.08068	18.5
123.11713	2.1
125.09628	1.4
132.45407	1.4
133.06500	2.5
133.10114	11.7
135.11693	11.2
137.09615	20.7
137.13252	3.1
147.04370	3.9
149.09109	1.5
151.07567	3.2
151.11215	2.8
151.14835	11.0
161.05974	5.0
161.09544	1.8
161.13277	17.4
164.04053	1.3
179.03366	7.3
179.06584	6.6
179.08363	1.2
179.10719	5.4
179.14308	61.5
189.20438	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03955	7.0
55.01875	11.1
55.05261	1.8
55.05508	27.3
56.05813	1.2
57.03421	3.5
57.07052	3.4
65.03931	3.8
67.05504	100.0
69.03409	3.1
69.07069	17.1
71.04972	2.9
76.13880	1.0
77.03906	1.1
79.05495	58.5
81.02980	1.5
81.03420	22.4
81.07057	92.0
83.04977	28.3
83.08617	13.9
85.06544	2.7
91.05482	52.4
93.06467	2.4
93.07043	41.5
95.04956	14.2
95.08605	74.3
96.04518	1.1
96.08949	1.1
97.06528	31.0
97.10141	3.4
98.21259	1.6
98.98446	3.4
99.08086	4.4
103.05500	1.4
105.07027	29.7
107.08591	14.2
109.06512	9.4
109.10165	15.0
111.08082	8.9
111.96603	1.5
113.09637	6.8
115.05402	1.6
117.07004	1.7
119.04958	6.3
119.08579	37.3
120.07986	1.2
121.06502	1.9
121.10122	6.5
123.04440	14.9
123.08078	9.8
123.11663	2.3
133.02922	1.3
133.06488	3.7
133.10129	23.3
135.04474	1.3
135.11684	9.2
136.05150	1.3
137.05943	2.2
137.09584	5.2
139.03932	1.5
141.47313	1.1
146.03563	1.3
147.04401	8.6
151.03896	1.9
151.07539	15.6
159.11711	1.4
161.05983	5.6
161.09592	2.6
161.13248	21.3
179.03419	12.7
179.06772	12.1
179.08563	1.9
179.10667	6.0
179.14308	63.8
187.09708	1.1
198.12511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	2.0
55.01876	3.2
55.05513	8.1
57.03440	7.9
57.07069	1.7
60.78865	0.6
65.03951	1.9
66.04720	0.6
67.05506	36.3
69.03430	1.8
69.07072	10.4
70.67403	0.6
71.04996	4.0
71.33208	0.7
71.65130	0.6
75.02859	0.5
77.03922	0.8
79.05499	27.5
80.72064	0.5
81.07060	96.6
82.38256	0.5
83.04989	6.0
83.08627	4.4
83.29282	0.5
85.06548	8.1
91.05483	28.5
93.07049	42.1
94.07372	1.0
95.04968	4.1
95.08611	68.3
97.05910	0.8
97.06536	16.0
99.08092	9.6
105.07036	33.8
107.08601	18.1
107.09171	0.4
109.06519	5.2
109.10159	5.1
111.08077	4.9
111.26334	0.6
113.09664	1.1
117.07032	1.9
118.96571	0.6
119.04972	1.0
119.08588	54.3
120.08965	0.8
121.09303	1.2
121.10145	16.7
123.08069	10.3
123.11695	1.4
131.08562	1.1
132.09412	0.7
133.10133	31.2
134.10431	0.7
135.11702	30.1
137.09650	4.2
137.13257	1.8
147.04395	0.7
151.09737	0.5
151.11160	1.8
151.14745	0.8
159.11627	0.9
161.05991	0.7
161.13260	90.8
162.13605	1.8
171.78926	0.6
179.14317	100.0
180.14697	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	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03959	2.3
55.01876	4.8
55.05511	5.7
56.45779	0.4
57.03438	1.2
57.07080	1.8
59.05000	0.6
59.58665	0.5
65.03951	2.1
67.05509	9.9
69.03434	3.5
69.07074	2.3
71.04996	1.2
71.56744	0.6
77.03901	0.7
78.04767	0.5
78.77720	0.4
79.05496	11.7
81.03425	1.0
81.07062	20.2
83.04994	2.0
83.08615	0.6
89.03959	0.6
91.05483	36.1
92.05795	0.6
93.07050	19.9
94.07353	0.6
95.04980	7.7
95.08612	21.8
96.08997	0.5
97.02887	0.9
97.04804	0.4
97.06544	1.7
98.21105	0.6
98.98480	1.2
101.15094	0.5
103.05478	3.8
105.03433	1.2
105.07037	100.0
106.06606	0.5
106.07299	0.9
107.04953	2.2
107.08601	16.0
108.05756	1.0
109.06514	7.5
109.10165	6.5
115.05448	1.8
117.03435	0.5
117.06999	2.5
118.07803	2.2
119.04081	0.9
119.04952	11.4
119.08588	16.0
121.06518	4.4
121.10137	5.3
122.10450	0.7
122.43748	0.5
123.04448	7.2
123.08073	20.4
123.10883	0.7
123.11700	6.8
125.06026	0.9
125.23428	0.5
127.07547	0.8
128.06209	1.1
131.08591	5.7
133.02847	2.1
133.06567	3.3
133.10136	98.6
134.06017	0.5
134.10461	0.9
134.10915	0.9
135.04431	1.0
135.08052	1.5
135.11678	3.9
136.05214	3.2
137.05981	9.5
137.09616	4.9
137.13261	1.4
143.08574	2.0
146.03638	1.2
146.07304	1.5
147.04422	15.4
148.04778	0.5
149.02281	1.4
149.05905	0.5
151.03923	3.2
151.07545	5.3
151.11203	5.6
161.05975	6.0
161.09633	13.8
161.13257	4.8
164.04646	2.0
171.11858	0.5
179.01828	0.6
179.03383	9.1
179.05254	1.2
179.07129	13.1
179.08624	0.8
179.10658	18.7
179.14293	8.4
180.06474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.01585	0.4
51.02377	0.5
53.00318	0.3
53.03947	3.8
55.01880	1.6
55.05511	0.7
57.03439	15.6
57.07075	0.5
58.99590	0.3
65.03946	0.8
67.05505	2.3
69.03426	0.9
71.56998	0.3
74.93185	0.3
76.02228	0.7
77.03922	1.7
79.05494	22.6
81.03418	0.9
81.07063	2.4
83.04978	0.8
89.03921	1.0
91.05489	6.2
93.07043	2.1
95.04977	9.1
95.08614	1.5
96.04509	0.3
97.02921	0.4
97.06568	0.5
98.98457	0.5
103.05467	0.6
105.03395	100.0
105.07025	6.4
106.03734	1.5
106.06545	0.4
107.04963	0.9
107.08597	1.2
108.04494	1.3
109.06516	2.6
109.10169	0.9
117.03402	0.6
117.07002	0.5
119.04956	4.2
119.08591	3.9
120.08126	0.5
121.06516	2.3
121.10145	0.8
123.04431	25.2
123.08075	1.1
123.11672	0.5
128.06163	0.4
131.08624	0.5
133.02859	8.8
133.06480	1.3
133.10133	7.9
134.03261	0.4
134.06000	0.9
135.04424	2.0
135.08057	1.6
136.02182	0.5
136.05205	0.6
136.14723	0.3
137.05975	1.6
137.09605	2.3
142.62485	0.3
143.08633	0.5
146.07303	0.3
147.04425	5.6
151.03912	3.5
151.07573	1.2
151.11194	1.3
151.13950	0.3
152.07042	0.7
161.02356	0.7
161.06000	2.0
161.09595	3.3
161.13229	0.3
164.04190	0.5
179.03412	25.1
179.07047	16.8
179.10625	6.9
179.12166	0.5
179.14314	1.3
180.03766	0.6
180.10223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
53.03936	0.9
55.01876	1.9
55.05505	0.7
57.03436	0.5
57.07071	0.4
59.04978	0.8
63.02394	0.4
65.03932	0.6
67.01854	1.2
67.05509	3.0
68.99788	3.3
69.03429	1.0
69.07066	0.6
71.01354	0.6
71.56586	0.7
77.03936	0.7
79.05491	3.1
80.05037	0.4
81.03411	1.6
81.07052	4.5
83.04973	1.2
88.03899	0.4
89.03914	0.8
89.10875	0.3
91.05482	12.0
93.07046	4.1
95.01297	0.5
95.04971	4.9
95.08613	3.0
97.02915	0.5
98.98436	0.5
103.05464	1.7
104.89623	0.4
105.03397	2.7
105.05367	0.4
105.07032	11.1
107.04963	1.1
107.08611	1.8
108.04482	1.5
109.02880	0.8
109.06515	2.6
109.10156	1.8
111.04446	1.7
111.08056	0.5
115.05468	4.7
117.06999	1.0
118.04182	0.5
119.04955	7.8
119.08586	5.5
120.08112	5.2
121.06506	2.1
121.10133	0.9
123.04440	9.4
123.08082	2.7
123.11699	0.7
127.03901	0.4
127.07529	1.1
128.06238	0.7
131.04933	1.0
131.08571	1.0
133.02849	3.2
133.04791	1.4
133.06483	3.9
133.10135	8.4
134.06032	0.5
135.04419	0.7
135.08063	3.1
135.11662	0.6
136.02232	0.5
136.05194	0.6
137.02339	3.2
137.05974	2.6
137.08234	0.9
137.09619	2.9
143.04921	3.6
143.08546	0.9
146.07260	0.6
147.04416	9.6
149.06007	0.8
151.03912	5.5
151.07559	4.1
151.11183	2.4
152.07005	0.4
155.03398	1.8
161.02359	1.3
161.05989	7.5
161.09616	5.4
161.13240	1.4
164.03902	0.6
179.03404	100.0
179.05196	6.7
179.06911	7.0
179.10616	8.5
179.14174	2.2
180.01018	0.4
180.03755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01872	1.8
55.05497	0.6
56.05038	0.9
56.96569	11.6
57.03431	3.7
58.06605	1.7
58.99862	1.6
60.04528	10.6
61.02927	1.8
67.05505	1.3
67.79750	0.5
68.05030	10.1
68.98291	0.9
69.03434	10.2
69.07040	0.6
70.02954	2.6
70.06589	2.9
71.04990	1.5
71.56024	0.9
72.04514	6.8
73.02921	4.6
74.02440	0.7
74.03249	0.6
74.06078	2.2
77.00899	1.0
80.05016	1.9
81.03413	1.5
82.01433	1.1
83.01324	1.0
84.04501	6.5
85.02911	4.3
85.05292	0.6
86.06058	3.2
86.99334	1.7
88.02216	0.6
89.00843	0.8
91.05475	1.1
92.01329	1.5
94.51580	0.5
95.01324	0.7
95.04970	0.8
96.04495	6.6
97.02856	2.4
97.99195	1.0
98.06044	4.1
98.97579	3.9
100.02489	4.6
101.00906	2.2
102.05544	100.0
103.02425	1.6
104.03499	0.7
105.00385	1.3
105.07034	0.8
108.02424	0.6
109.02875	1.0
110.52171	0.5
110.97554	0.8
112.07611	0.8
113.00887	2.6
113.02398	1.7
114.00953	3.2
114.05544	7.9
114.09184	2.2
115.00590	0.7
115.02414	3.3
115.03992	0.6
116.07087	0.9
116.98647	1.6
118.03563	2.1
118.92116	2.4
119.01900	6.5
119.51907	1.0
120.02013	0.9
121.01619	1.0
124.03948	5.6
126.98811	0.7
127.02415	0.8
127.03946	0.7
128.02303	1.4
129.03146	0.9
129.03966	4.3
131.01917	10.0
132.02007	15.6
132.06569	30.1
132.08144	1.3
132.10249	1.4
133.01643	3.9
133.03412	3.5
133.06903	0.6
133.63963	0.5
134.00490	0.7
136.93123	7.9
137.00864	2.3
137.02878	0.9
138.04039	0.9
142.03957	0.5
142.05006	3.3
142.08694	0.8
142.96490	0.8
143.01968	1.2
144.99861	2.0
145.03471	4.0
146.03288	0.7
147.05118	3.5
149.02939	1.8
150.03119	3.0
154.03508	1.4
154.94173	12.1
155.00160	1.8
155.01915	26.3
155.03662	5.8
156.02049	1.0
156.03244	0.7
156.05084	1.0
157.03464	1.1
160.06087	7.3
160.09724	2.0
161.03008	1.1
163.02751	0.6
163.04704	0.6
172.95253	17.7
172.99585	1.1
173.01315	3.2
173.02966	38.4
173.04486	1.6
174.03171	1.4
175.02754	0.6
178.03607	1.4
178.07130	51.3
178.08562	3.0
178.10559	3.8
178.14305	0.7
178.98654	0.7
179.03503	1.0
179.07367	0.5
185.02879	0.6
187.04570	0.7
190.96288	7.9
191.00287	0.6
191.02284	1.1
191.04051	4.0
196.02917	0.5
196.04582	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	178.0499
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.03948	0.4
53.68350	0.1
54.85661	0.1
57.03452	0.2
70.83311	0.3
70.83651	0.2
77.03950	0.4
79.05494	0.2
83.21558	0.1
88.02235	0.2
90.04206	0.2
94.06548	1.2
95.04976	0.6
98.21128	0.2
104.04998	6.8
105.03376	0.9
114.03416	0.2
118.03722	0.4
122.06029	1.9
123.08189	0.1
125.99130	0.1
132.04456	23.9
133.04773	0.4
138.52214	0.2
146.03175	0.5
160.03902	0.9
178.04994	100.0
179.05367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0499
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.02387	0.2
51.47145	0.2
53.03951	0.5
53.88047	0.2
55.05498	0.6
63.82225	0.2
67.05505	0.4
69.07056	0.4
69.89633	0.7
70.07407	0.3
71.99102	0.5
79.05482	0.5
81.07073	0.4
81.40450	0.2
87.02692	0.3
88.02178	0.2
89.03918	0.3
89.63917	0.2
90.00778	0.2
90.04235	0.8
91.05470	0.8
93.07018	0.4
94.06555	1.0
94.07367	0.5
95.04961	0.8
95.08611	0.7
96.08939	0.5
104.04994	6.6
105.03377	0.8
105.07014	0.6
107.04473	0.3
107.08588	0.7
108.08925	0.8
109.06472	0.2
114.03658	0.7
117.03364	0.2
118.03658	1.4
119.04991	0.5
120.04484	0.2
121.10132	0.9
122.06026	1.9
122.06810	0.4
122.10490	1.3
123.04407	0.3
132.04459	23.5
133.04698	0.4
133.10088	0.4
136.12016	0.3
137.06006	0.3
145.02818	0.2
146.03168	2.0
147.04485	0.4
150.06306	0.9
151.07547	0.2
160.03935	0.8
161.05980	0.3
178.04991	100.0
178.16711	1.3
179.03471	0.4
179.05321	1.7
179.06819	0.4
179.10683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0499
Annotation	Isalexin
Peak:m/z	Relative Intensity
50.45607	0.2
53.03946	0.4
56.64084	0.2
68.83276	0.2
70.62767	0.2
70.63115	0.6
83.19181	0.2
93.86755	0.2
94.06574	1.4
95.04958	0.3
104.04303	0.4
104.04999	6.9
105.03370	0.4
114.03532	0.3
114.94972	0.2
115.49254	0.2
122.06043	1.8
132.04463	26.0
133.04817	0.2
151.30383	0.2
160.03926	0.8
161.21640	0.2
178.05005	100.0
179.05353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03935	3.8
55.05302	1.0
55.05513	13.6
57.07068	1.3
58.86993	1.0
64.88554	1.0
65.46855	1.0
67.05508	10.2
69.06726	2.2
69.07074	35.7
69.77589	5.8
71.08624	1.3
79.05058	2.1
79.05499	29.5
81.07063	95.5
83.08618	12.4
88.02202	2.4
89.03897	4.1
91.05478	10.1
93.07053	47.1
95.05001	1.8
95.08614	55.6
97.10200	7.0
98.20986	3.3
98.21554	1.2
98.98470	6.9
105.07046	9.3
107.08599	96.0
109.06516	2.3
109.10159	17.3
117.03391	5.6
119.08562	2.3
121.10149	100.0
131.08562	3.2
135.04434	1.1
135.08002	1.3
135.11702	17.1
145.02893	6.7
147.04546	1.1
149.02394	1.4
149.05934	2.7
149.13268	7.0
159.08044	3.0
159.11703	1.7
162.03154	2.2
177.02263	1.2
177.05476	11.7
177.09018	5.5
177.12910	5.7
177.16396	87.7
178.16708	1.1
193.28441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01884	0.8
55.05264	1.0
55.05514	17.3
57.07064	2.3
62.51682	0.8
65.03922	2.2
67.05505	18.6
69.06718	1.6
69.07068	25.6
70.77128	2.8
78.04696	1.4
79.05062	2.0
79.05495	29.1
81.07059	40.3
83.08614	14.7
89.03910	10.4
91.05482	15.6
92.63792	1.0
93.07045	69.2
95.04956	3.9
95.08607	72.0
97.04861	1.3
97.06543	1.0
97.10174	7.9
98.97855	1.1
98.98466	14.0
105.07034	10.1
106.04139	1.3
107.04955	1.9
107.08595	64.9
109.06510	2.4
109.10158	17.6
117.03376	18.4
117.07001	3.9
119.08593	4.7
121.06499	2.0
121.10145	100.0
129.07039	1.1
131.08565	4.5
133.10141	5.6
134.03638	2.8
135.04408	2.1
135.08066	1.6
135.11702	19.9
145.01744	1.4
145.02844	22.3
149.02354	3.3
149.05972	7.0
149.09622	1.7
149.13240	5.6
159.08018	1.2
159.11697	7.7
162.03154	1.8
162.10289	1.1
177.02289	1.1
177.05484	11.5
177.09126	4.3
177.12767	26.4
177.16389	62.1
178.16727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.00290	1.1
53.03937	3.5
54.04274	0.9
55.01876	5.5
55.05512	17.4
57.07058	3.0
57.07301	0.8
67.05169	1.1
67.05508	16.8
69.03427	1.4
69.07070	30.3
71.04996	1.2
75.12971	0.8
78.04694	0.8
79.05495	34.5
81.07061	45.0
83.08627	16.3
85.01125	1.2
85.06552	1.6
86.01455	1.3
86.67681	0.9
87.02691	1.1
89.03928	8.4
89.80135	0.8
91.04949	1.6
91.05478	18.3
93.07048	73.7
95.04961	3.9
95.08610	63.7
95.09073	0.9
95.09240	2.2
96.04502	2.5
96.08968	1.1
97.04826	2.5
97.06546	1.0
97.10175	7.8
98.21115	6.4
98.98476	11.1
104.02511	1.0
105.04549	0.9
105.07041	12.4
107.04975	2.2
107.08598	69.4
109.06503	3.0
109.10162	19.5
112.02171	1.6
113.02493	2.2
117.03382	13.9
117.07031	5.4
119.08566	6.8
121.06530	5.3
121.10146	100.0
122.10466	1.6
123.08063	1.7
127.26988	1.0
129.06978	1.1
130.07803	0.9
131.08534	6.7
133.06482	1.7
133.07574	0.8
133.10135	6.7
134.03642	2.7
134.07274	1.5
135.04393	2.3
135.08069	8.9
135.11700	24.6
144.09369	1.6
145.02852	15.6
145.95618	1.0
149.02357	1.9
149.05981	6.9
149.09596	1.8
149.13278	8.1
159.11713	12.7
162.03107	2.3
163.03889	1.2
177.02240	1.8
177.05490	13.6
177.09146	1.6
177.10497	1.3
177.12773	45.9
177.16383	68.1
178.13110	1.1
178.16724	1.7
181.01036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02373	1.5
53.03950	9.6
55.01867	8.2
55.05513	31.6
57.03418	7.7
57.07067	3.6
59.09125	1.7
65.03934	6.4
67.05505	18.9
69.03421	6.4
69.06719	2.3
69.07069	34.3
70.63640	5.0
71.04980	7.1
77.03909	2.4
78.04698	5.7
79.05493	59.0
81.07057	49.8
83.04968	6.7
83.08619	11.5
89.03916	30.7
91.05478	62.0
93.07046	100.0
94.07395	1.9
95.04973	16.3
95.08603	23.6
96.04490	4.0
96.08895	1.8
96.11986	1.5
97.04816	2.8
97.06521	3.4
98.21149	2.6
98.98451	17.0
103.05453	7.4
105.03383	1.6
105.07027	36.3
106.04170	18.6
107.04972	12.5
107.08594	76.7
109.06525	13.8
109.10161	5.8
115.05446	5.6
116.06271	2.0
117.03378	45.8
117.07017	36.4
119.08575	19.4
120.99331	1.8
121.06502	27.7
121.10133	41.5
122.07316	2.6
123.08080	2.6
129.06992	10.3
130.07782	5.7
131.04951	3.4
131.08569	44.3
133.06522	4.3
133.10121	15.7
134.03630	9.5
135.04390	5.3
135.08055	19.4
135.11694	13.0
144.09354	10.1
145.02843	62.8
147.04436	2.3
148.08856	4.0
149.02382	4.1
149.05986	26.0
149.09624	8.7
149.13281	13.7
159.08061	2.8
159.11685	34.7
162.03142	5.4
162.06735	3.6
163.03885	2.8
172.79129	1.4
177.02269	2.6
177.05486	29.6
177.09119	22.2
177.12750	66.0
177.16341	12.6
178.01549	2.0
178.05042	5.3
186.64891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.44011	0.4
53.03935	0.7
54.04265	0.4
55.01867	1.0
55.05514	1.7
67.05491	1.5
69.03425	0.9
69.07056	1.7
69.60794	0.3
75.12157	0.3
78.04683	0.4
79.05496	2.1
81.07059	2.4
83.04984	17.6
83.08600	0.4
85.01108	0.7
86.01461	0.8
89.03922	2.7
91.05482	3.3
93.07046	7.6
95.04966	0.9
95.08613	4.5
96.04496	0.8
97.04834	0.7
97.06536	10.5
98.20856	1.3
98.21547	0.5
98.98478	3.9
102.02857	0.3
103.05421	0.5
105.07040	2.9
106.04165	0.7
107.04971	1.6
107.08601	7.3
109.06523	1.0
109.87106	0.3
112.02190	0.7
113.02528	1.1
117.03379	4.7
117.07042	4.3
119.08583	18.5
120.08894	0.4
121.06494	4.9
121.10138	2.7
129.06973	0.8
131.08586	3.1
133.06491	0.7
133.10135	4.7
134.03630	0.6
134.07289	0.7
135.04395	0.8
135.08066	2.5
135.11665	1.4
144.09312	1.6
145.02855	5.1
145.10136	0.4
147.08051	3.1
148.08809	0.8
149.02370	0.9
149.05971	1.8
149.09613	1.1
149.13257	0.8
157.10129	0.6
159.11700	5.1
161.09648	0.5
162.10422	10.3
163.10818	0.6
175.11244	0.4
177.02179	0.9
177.05486	3.0
177.12752	100.0
177.86438	0.4
178.01582	0.4
178.13115	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03947	4.4
54.04273	0.8
55.01862	4.4
55.05510	5.9
57.03442	1.6
58.93825	0.8
61.01144	1.0
65.03933	2.7
65.97205	0.9
67.05504	23.2
69.03410	1.4
69.07064	8.8
71.04980	1.0
71.37583	0.9
71.37904	1.1
71.99081	1.0
73.53799	0.8
77.03929	1.1
78.04683	2.8
79.05495	32.0
79.05959	1.6
81.03407	3.2
81.07059	42.5
82.96988	0.9
83.01302	0.7
83.04983	3.8
83.08606	3.7
85.01128	1.8
85.06544	1.4
86.01482	1.2
87.02709	1.9
89.03915	21.7
91.04902	1.5
91.05482	41.6
93.07046	53.2
95.04967	12.8
95.08610	11.3
96.04487	2.3
96.45501	0.8
97.04823	1.2
97.06534	8.8
98.21249	0.8
98.98467	19.5
99.08102	1.5
103.05468	3.1
105.03402	0.8
105.04544	1.3
105.06374	1.5
105.07038	22.1
106.04177	7.4
107.04981	4.8
107.07864	1.4
107.08593	26.7
109.06513	5.9
109.10181	2.1
111.08069	3.2
112.02213	1.1
113.02542	2.6
115.05443	2.2
117.03384	30.8
117.07024	25.6
119.08585	6.7
121.06513	8.9
121.10144	19.1
129.07031	2.5
130.07764	1.0
131.04921	2.0
131.08572	27.0
131.09511	1.6
133.06509	1.6
133.10133	29.2
134.03639	5.6
135.04436	4.3
135.08052	8.3
135.11691	11.8
144.09286	2.3
145.02852	36.5
147.11597	0.8
149.02336	5.4
149.05989	15.1
149.07118	1.8
149.09618	6.4
149.13268	17.2
159.08067	3.6
159.11691	47.0
162.03093	4.0
163.03896	1.5
177.02377	4.0
177.05484	23.3
177.09152	11.9
177.12756	100.0
178.04958	3.3
178.13110	2.4
186.05553	1.4
195.41287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.98065	0.2
51.02380	0.2
53.03940	0.5
54.80807	0.2
55.01860	0.3
55.05526	0.2
58.54551	0.2
59.54124	0.2
63.02415	0.3
65.03926	0.4
69.07100	0.2
69.42310	1.9
74.48548	0.2
78.04708	1.0
79.05487	0.9
80.45664	0.2
81.07051	0.4
83.04968	0.2
83.42595	0.2
85.01100	0.3
89.03916	3.5
91.04957	0.4
91.05485	4.9
93.07037	1.4
95.04934	0.5
95.08610	0.6
95.45491	0.2
97.04781	0.3
98.21188	1.0
98.98463	1.0
103.05476	1.2
105.03350	0.5
105.07048	1.5
106.04174	3.4
107.04963	0.4
107.08628	1.1
107.09235	0.2
109.06503	0.3
109.10133	0.4
111.31591	0.2
113.02534	0.3
115.05462	3.5
116.06252	3.0
117.03384	5.5
117.07022	10.9
119.04932	1.6
119.08559	0.7
121.06514	3.7
121.10156	1.5
129.07068	0.3
131.04903	0.4
131.08566	0.6
133.06502	2.8
134.03644	1.2
134.07277	4.4
135.04388	0.7
135.08083	1.7
135.11720	0.5
144.05739	2.0
145.02846	6.5
145.06493	1.9
146.07201	0.4
147.04376	0.5
147.08032	0.2
149.02414	0.3
149.05983	4.1
149.09624	1.2
149.13260	0.3
159.08009	0.5
159.11670	0.4
161.05984	1.6
161.56198	0.2
162.03127	0.4
162.06761	12.3
177.05557	2.9
177.09111	100.0
178.05060	0.4
178.09477	1.9
184.09958	0.2
186.91031	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.86203	1.0
53.03942	9.8
55.01863	3.1
55.05504	5.0
57.16745	1.1
58.56796	0.9
59.68582	1.0
63.02367	1.8
63.91176	1.0
65.03929	4.8
67.05495	3.6
69.03422	1.7
69.07082	5.2
69.48882	9.0
72.99450	1.1
73.95013	1.0
74.78145	1.0
77.03922	2.0
78.04710	20.3
79.05495	10.1
81.07068	7.9
83.08605	4.3
85.01108	1.9
86.01454	1.4
89.03917	51.3
91.05481	41.4
93.06478	1.6
93.07049	21.9
93.34611	1.0
95.04974	9.2
95.08607	12.8
96.04498	1.7
97.04821	2.6
98.20797	2.3
98.21441	1.9
98.98468	11.9
99.06964	1.1
103.05470	14.0
104.04995	1.5
105.03381	3.6
105.04556	1.7
105.07008	7.4
106.04176	74.1
107.04956	4.0
107.08601	20.7
108.96898	1.2
109.10159	6.1
112.02175	1.3
112.55153	1.2
113.02563	1.7
115.05453	1.5
117.03381	80.9
117.07005	6.6
119.04915	3.5
119.08552	2.9
121.06506	28.6
121.10153	27.8
121.11012	1.5
122.06036	1.1
124.05166	1.7
129.06955	1.3
131.04945	7.1
131.06924	1.2
131.08606	6.7
131.09464	1.5
132.04457	9.5
133.06485	2.2
133.10130	3.3
134.03621	15.4
135.04456	8.7
135.08044	4.4
135.11655	7.1
136.40814	1.0
145.02849	100.0
146.03188	1.7
149.02396	2.3
149.05983	54.1
149.09619	3.0
149.13266	2.8
159.04407	1.7
159.08011	3.0
159.11705	4.1
162.03107	4.1
162.06819	2.5
163.03940	2.9
177.02184	1.9
177.05473	48.6
177.09073	21.7
177.12744	17.6
177.16399	15.3
178.04985	42.5
186.05576	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	2.1
53.33156	0.5
55.01857	1.0
55.05503	1.2
62.99090	0.8
63.02372	1.3
63.70401	0.5
67.05510	0.9
69.07062	1.2
69.49108	4.3
77.03941	0.9
77.10699	0.5
78.04714	4.5
79.05488	2.7
81.07046	1.5
85.01134	0.6
88.03047	0.8
89.03920	48.1
90.39793	0.4
91.05484	9.1
93.07037	5.0
94.06582	0.5
95.04971	2.8
95.08601	2.7
96.04482	0.7
97.04835	0.7
98.20892	1.5
98.98469	2.9
103.05481	3.2
104.04987	1.6
105.03416	0.9
105.07038	1.3
106.04176	11.6
106.06407	0.5
107.04971	1.0
107.08617	3.8
109.10200	0.6
112.02132	0.6
113.02501	0.6
115.05452	1.8
116.06262	0.9
117.03386	75.2
117.07017	7.6
118.03735	0.9
119.04980	1.2
119.08649	0.6
120.68034	0.5
121.06495	5.9
121.10142	5.4
122.06049	0.7
124.05202	0.9
126.28586	0.5
131.04936	1.3
131.08572	2.1
132.04468	6.5
133.06517	1.4
133.10158	0.9
134.03636	11.5
134.07278	1.2
135.04431	6.6
135.08055	0.7
135.10793	0.7
135.11728	1.9
145.02850	100.0
145.06479	3.5
146.03195	2.2
147.04422	1.2
149.02429	1.1
149.05988	31.4
149.09642	1.3
149.13258	1.4
150.06387	1.0
158.06094	0.7
159.04337	0.6
159.11703	1.2
162.03119	2.1
162.06773	5.2
163.03929	2.2
174.55386	0.5
175.01872	0.5
177.02293	0.9
177.05495	32.9
177.09106	40.0
177.12672	4.3
177.16409	4.1
178.04999	28.8
178.09409	0.9
186.05560	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.92275	0.7
53.03951	2.7
55.01868	1.2
55.05507	1.9
55.26227	0.5
59.46177	0.6
63.02384	1.4
64.62792	0.6
65.03957	1.3
67.05511	1.9
69.03434	0.7
69.07065	4.3
69.76295	3.3
70.36663	0.7
71.99089	0.8
72.36469	0.6
77.03928	1.2
78.04713	5.2
78.56675	0.5
79.05087	1.1
79.05494	5.4
81.07066	4.4
83.08627	2.6
85.01127	1.1
86.01462	0.6
87.02725	0.6
87.28671	0.6
89.03924	53.3
91.05493	11.0
93.07053	9.4
95.04964	2.9
95.08610	8.0
96.04475	1.1
97.04851	0.8
97.53632	0.6
98.20805	1.3
98.98486	4.5
103.05469	4.4
105.07047	2.8
106.04181	13.8
107.04970	1.8
107.08609	10.3
109.10150	3.0
112.02187	0.8
113.02536	1.5
115.05458	1.5
117.03387	87.0
117.07036	4.8
118.03666	1.1
119.04925	1.0
119.08584	1.3
121.06500	7.7
121.10148	13.8
124.05194	1.1
131.04918	1.3
131.08562	2.6
132.04518	1.0
132.32663	0.6
133.10190	0.9
134.02628	0.7
134.03648	12.2
135.04431	6.2
135.08072	0.9
135.11729	4.5
135.12642	0.9
145.02858	100.0
145.06506	2.5
146.03256	1.0
147.04466	0.9
149.02345	1.5
149.05992	34.2
149.09663	1.2
149.13313	1.3
154.96577	0.6
158.05986	0.9
159.08054	1.3
159.11702	2.4
162.03143	7.7
162.06824	1.9
163.03867	2.1
177.02269	1.8
177.05490	47.9
177.09109	21.7
177.12769	5.6
177.16396	10.9
178.04926	6.2
186.05560	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	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
51.83078	1.7
53.03710	2.7
53.03950	41.3
55.05510	20.0
58.99579	3.7
59.96716	1.7
60.14413	1.5
60.22150	1.4
61.01155	29.7
62.46826	1.7
62.99075	14.0
64.34856	1.8
64.76768	1.3
64.82207	1.4
65.00637	15.8
65.03933	6.1
67.05505	5.5
68.05026	11.6
69.03433	9.5
69.07075	2.3
70.06590	3.0
71.05003	7.8
71.56512	2.2
71.99107	14.0
73.01136	2.0
74.99064	2.7
75.02691	5.1
78.03455	9.1
78.04685	2.1
78.96775	2.8
79.05480	2.0
80.05009	3.6
81.07069	2.2
82.99557	5.5
84.00344	1.9
85.01133	62.6
86.01903	1.7
87.02694	51.0
89.00607	4.5
89.03925	5.6
91.05478	3.3
92.05809	2.9
93.07043	3.3
95.08580	1.9
96.04494	83.6
98.98470	6.8
100.02220	1.7
101.02981	4.6
101.04234	15.7
103.02164	38.5
103.05455	2.1
104.02927	4.1
105.07038	2.6
105.97813	1.7
106.04174	3.2
106.07370	2.8
107.08585	3.1
112.02193	100.0
113.02985	3.2
115.05466	2.0
117.03622	14.0
119.08541	2.3
120.08095	4.6
120.08923	4.3
120.82812	1.6
121.06571	2.9
121.10153	4.8
130.06523	44.2
131.08606	2.4
132.04443	4.6
134.03589	2.5
134.10480	2.8
141.75899	1.7
145.02872	16.6
148.07558	5.4
149.05983	6.6
158.05997	8.5
158.10577	1.5
176.02005	75.1
176.06764	1.9
176.07906	7.2
176.11629	3.1
176.15292	2.9
177.02142	2.1
177.05429	8.5
177.09064	2.1
177.16365	2.1
185.73499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05503	1.6
56.96569	21.1
57.03437	1.3
59.04997	1.5
60.95845	0.9
61.02919	0.9
65.03935	1.0
65.75040	0.7
67.05496	2.2
69.03436	4.0
69.07058	1.2
70.01497	2.1
71.04994	1.2
71.95258	2.7
71.99111	0.8
73.02916	3.1
78.03433	0.8
78.04704	1.1
79.05492	1.7
81.03413	1.9
81.07059	1.6
83.08636	0.8
84.24875	0.7
84.96023	1.2
85.02933	3.4
88.93761	1.0
89.03917	13.6
91.05478	4.0
93.07059	2.8
95.04948	1.7
95.08612	2.1
96.04517	1.9
97.02894	3.5
97.04835	1.1
98.20861	1.4
98.21470	1.3
98.97588	100.0
98.98444	9.2
100.79864	0.8
101.00819	1.1
103.00574	0.8
103.05470	3.0
104.04933	0.8
105.07022	2.0
106.04181	1.0
107.04961	2.8
107.08607	3.1
109.10160	1.0
110.97589	1.3
112.99133	0.8
113.00920	3.2
113.02499	2.1
116.98628	84.9
117.03380	20.1
117.04218	0.7
118.92123	1.6
118.96762	2.3
119.01904	3.3
119.04932	0.9
119.08576	0.7
121.01653	1.8
121.06512	4.2
121.10168	4.1
122.06161	0.7
123.04444	6.0
128.02341	1.3
128.98630	1.7
131.00198	1.7
131.01901	10.5
131.04942	2.8
131.08556	2.0
131.12604	0.8
131.95551	0.6
133.03473	1.0
134.03625	4.7
134.99660	58.6
135.04399	2.9
135.08061	0.9
135.11713	1.0
136.93112	3.8
140.00183	2.1
140.98674	0.7
145.02831	25.3
146.99695	1.3
148.63014	0.6
149.01221	1.4
149.02357	2.5
149.03102	1.3
149.04143	0.6
149.05989	10.1
149.07115	2.1
149.09645	1.0
153.00711	8.1
153.96724	0.7
154.03474	5.6
154.94156	7.7
154.96434	0.7
158.01324	1.6
158.99672	1.3
162.03172	1.5
163.03955	1.5
167.02107	0.6
168.05316	0.7
172.04541	1.6
172.95245	17.7
173.02931	1.0
177.00783	3.0
177.02280	2.2
177.04041	1.7
177.05370	10.6
177.06680	3.0
177.09103	1.8
177.10446	0.8
177.12747	1.3
177.16397	2.3
177.98100	0.7
178.05014	0.8
185.02913	1.1
190.96335	6.7
195.01718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
54.38231	0.7
55.05511	10.8
58.99581	0.8
61.01158	1.6
62.99080	1.1
65.03925	0.7
66.75735	0.7
67.05504	6.4
69.03419	1.0
69.07069	14.5
69.65844	0.7
70.02350	3.0
79.05489	7.9
81.07056	28.7
82.07375	0.8
83.04916	0.6
83.08626	3.4
85.01139	3.6
87.02686	2.5
91.05480	30.5
93.07046	11.6
95.04957	1.8
95.08606	16.9
96.04495	3.5
97.02914	1.0
98.20978	1.8
98.97847	1.3
98.98470	20.0
103.02145	1.5
103.05436	1.7
104.06257	0.9
105.07031	55.8
107.04955	1.2
107.08588	16.6
109.10146	1.0
111.26112	0.7
112.02192	5.3
112.24010	0.7
115.05447	4.1
117.03692	0.7
117.07019	6.9
119.04939	2.1
119.08580	100.0
120.08820	0.7
121.10160	2.8
122.86165	0.7
129.07030	4.3
130.06497	0.7
131.08580	11.7
131.21643	0.6
132.05722	1.5
132.09380	1.0
133.06464	2.7
133.10130	75.7
134.10449	1.4
142.07793	1.1
145.06497	1.0
145.10168	6.5
146.10895	4.0
147.04500	0.9
147.08052	5.5
147.11679	24.5
149.38258	0.6
157.10115	2.7
160.05182	4.2
160.08849	1.4
160.12473	3.2
173.13277	2.3
175.03981	1.1
175.07550	16.2
175.11267	11.6
175.14825	97.6
176.01991	2.6
176.15135	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	3.1
55.05515	7.3
57.03424	1.2
57.07079	1.0
58.54914	0.7
61.01164	1.3
67.05489	3.7
69.03418	1.6
69.07067	13.3
71.99097	1.3
79.05492	5.4
81.03397	0.8
81.07057	17.2
83.08618	2.1
85.01112	2.6
85.26115	0.9
85.35303	0.8
87.02688	3.2
87.04475	1.1
91.04626	0.9
91.05486	18.3
92.90061	1.0
93.07040	7.5
95.08603	12.3
96.04505	4.1
97.02870	0.9
98.21387	3.1
98.98471	55.6
103.02164	2.5
103.05483	1.7
105.07033	58.4
107.08601	10.6
112.02193	4.6
115.03971	1.7
115.05418	1.5
116.99525	1.5
117.03689	1.1
117.07013	4.6
119.08584	70.5
120.08948	1.0
121.10140	1.9
127.03896	1.6
128.31940	0.8
129.07010	3.7
131.08554	9.4
133.10135	69.7
134.10483	1.3
137.40308	0.8
142.07780	2.9
145.10136	5.9
146.10887	2.6
147.04439	1.0
147.08035	2.9
147.11684	17.4
151.93982	1.7
157.10152	4.2
160.08760	1.0
160.12457	3.7
170.77805	0.9
172.16130	0.8
173.13300	2.0
175.07518	6.0
175.11229	13.5
175.14835	100.0
176.01987	3.0
176.15158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.21399	0.6
53.03944	2.0
55.05514	9.7
57.07079	0.9
65.03946	1.1
67.05503	6.8
69.03431	0.7
69.06721	1.0
69.07071	12.8
69.52209	0.6
70.06601	0.7
70.47602	0.7
70.47946	1.9
72.42657	0.6
79.05494	10.4
81.07062	74.5
82.07384	0.7
83.08646	3.3
85.01158	1.0
87.02682	1.0
91.05486	24.7
91.67206	0.6
93.07052	12.0
95.04934	1.1
95.08611	29.3
96.04502	1.8
98.21262	1.2
98.98472	13.0
103.02124	0.6
103.05485	1.6
104.06298	0.6
105.07037	64.0
106.07399	0.6
107.08601	18.1
108.77979	0.6
109.06524	0.7
109.10168	1.9
112.02199	1.2
115.05445	2.4
117.07031	6.5
118.07810	0.6
119.08587	83.5
120.08896	1.3
121.10153	1.6
129.06998	2.5
131.08569	10.3
132.09364	3.7
133.06477	1.4
133.10135	75.1
134.10468	1.5
142.07816	0.9
145.10117	6.4
146.10995	3.0
147.08066	1.3
147.11694	13.6
157.10162	1.6
160.05202	2.8
160.08777	1.5
160.12462	2.8
166.53705	0.7
173.13257	2.6
175.07585	8.9
175.11320	10.3
175.14832	100.0
176.01939	1.4
176.15198	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05516	7.8
57.07074	0.9
61.01143	1.0
65.03931	0.6
67.05496	5.1
69.03432	1.0
69.07072	12.6
69.99165	2.0
73.45374	0.6
79.05492	8.2
81.07060	69.3
82.07407	0.7
83.08620	3.1
85.01134	1.7
87.02695	1.6
91.05484	22.2
93.07047	12.3
95.04966	1.2
95.08611	26.2
96.04495	2.3
98.20998	1.4
98.98471	9.0
103.02193	1.2
103.05447	1.0
104.06189	0.6
105.07034	60.9
106.07360	0.9
107.08601	20.3
109.10122	0.7
112.02197	2.0
115.05437	1.4
117.03740	0.6
117.07012	7.7
118.07755	0.9
119.08585	76.3
120.08898	1.3
121.10141	2.3
129.07011	0.9
131.08574	7.5
132.09370	3.8
133.10135	73.8
133.62793	0.5
134.10480	1.6
142.07802	1.2
143.04826	0.7
145.06502	1.0
145.10136	4.8
146.07251	0.6
146.10915	3.6
147.08075	2.6
147.11691	11.7
155.39104	0.6
157.10112	1.5
160.05200	1.2
160.08731	0.8
160.12498	2.2
169.42592	0.7
173.13257	2.1
175.03818	0.7
175.07568	8.1
175.11296	9.5
175.14832	100.0
176.02040	1.4
176.15134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03951	4.2
55.05514	9.2
57.07076	1.3
58.20196	0.7
61.01167	1.5
62.99069	0.8
65.00647	0.9
65.03952	0.8
67.05510	4.4
69.03436	1.5
69.07068	11.9
69.77413	0.7
70.73869	1.6
70.74209	0.7
78.03458	0.9
79.05493	6.3
81.07059	24.4
83.08635	4.0
85.01131	4.5
87.02700	4.3
91.05488	20.4
91.06066	0.8
93.07043	10.7
95.04999	0.9
95.08608	17.1
96.04488	5.4
98.20795	0.7
98.21333	0.9
98.98474	16.9
101.04271	1.1
103.02183	2.6
103.05476	1.5
105.07034	52.5
105.34000	0.8
106.07337	0.9
107.08600	12.0
109.10126	1.0
112.02173	5.6
114.33598	0.8
115.05454	2.6
117.07023	5.5
119.08586	100.0
120.09408	0.9
121.10113	1.9
129.07033	1.3
131.08563	11.0
132.09364	1.2
133.06479	1.4
133.10133	73.3
134.10559	1.1
144.05704	0.9
145.10136	6.3
146.10912	3.1
147.08060	1.2
147.11691	20.3
157.10164	1.3
160.05186	3.8
160.08885	1.3
160.12488	2.1
173.13269	2.1
175.07564	11.2
175.11465	4.1
175.14830	95.3
176.00624	0.8
176.01935	4.3
176.15161	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	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01887	5.0
55.05518	4.4
57.03428	2.8
61.01143	1.7
61.02910	1.2
62.99077	1.3
65.03938	1.5
67.05508	8.2
68.05038	1.2
69.03419	2.2
69.07072	6.5
71.05006	0.9
71.57156	0.8
71.99110	1.0
77.03879	1.0
78.03474	1.0
79.05058	0.9
79.05498	13.1
79.84156	0.6
81.03424	6.8
81.07059	17.3
83.04985	1.7
83.08578	0.7
83.57819	0.5
85.01140	4.3
87.02689	3.5
87.04477	0.7
91.05486	38.0
93.07050	11.0
95.04972	6.4
95.08601	4.9
96.04491	5.9
97.02876	2.0
97.06538	0.7
98.98472	54.0
101.04244	1.2
103.02160	2.4
103.05482	2.1
104.06291	1.2
105.03459	0.8
105.07037	41.2
107.04294	0.7
107.04969	7.8
107.08595	6.4
109.06503	1.8
112.02188	6.8
115.03937	1.0
115.05457	9.4
116.06223	1.8
116.99512	1.7
117.03709	0.8
117.07004	6.8
119.04967	3.3
119.08587	55.7
121.06487	3.5
121.10150	1.0
127.03918	1.5
128.06198	2.8
129.07013	23.8
131.04886	1.4
131.07576	0.8
131.08571	15.9
132.05753	3.0
133.06503	13.3
133.10138	29.6
134.07265	1.4
135.08015	0.8
139.03931	1.4
140.01044	0.6
141.07034	1.5
142.07796	12.4
143.04930	1.3
145.06467	2.5
145.10114	2.9
146.07286	1.1
146.10820	0.7
147.04453	1.7
147.08063	10.0
147.11691	18.1
157.04204	1.1
157.06477	0.8
157.10133	25.7
160.05174	8.9
160.08836	2.8
175.04015	1.3
175.07573	27.1
175.11194	100.0
175.14798	29.6
176.01990	3.6
176.11519	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03945	3.9
55.01887	5.0
55.05518	4.4
57.03428	2.8
61.01143	1.7
61.02910	1.2
62.99077	1.3
65.03938	1.5
67.05508	8.2
68.05038	1.2
69.03419	2.2
69.07072	6.5
71.05006	0.9
71.57156	0.8
71.99110	1.0
77.03879	1.0
78.03474	1.0
79.05058	0.9
79.05498	13.1
79.84156	0.6
81.03424	6.8
81.07059	17.3
83.04985	1.7
83.08578	0.7
83.57819	0.5
85.01140	4.3
87.02689	3.5
87.04477	0.7
91.05486	38.0
93.07050	11.0
95.04972	6.4
95.08601	4.9
96.04491	5.9
97.02876	2.0
97.06538	0.7
98.98472	54.0
101.04244	1.2
103.02160	2.4
103.05482	2.1
104.06291	1.2
105.03459	0.8
105.07037	41.2
107.04294	0.7
107.04969	7.8
107.08595	6.4
109.06503	1.8
112.02188	6.8
115.03937	1.0
115.05457	9.4
116.06223	1.8
116.99512	1.7
117.03709	0.8
117.07004	6.8
119.04967	3.3
119.08587	55.7
121.06487	3.5
121.10150	1.0
127.03918	1.5
128.06198	2.8
129.07013	23.8
131.04886	1.4
131.07576	0.8
131.08571	15.9
132.05753	3.0
133.06503	13.3
133.10138	29.6
134.07265	1.4
135.08015	0.8
139.03931	1.4
140.01044	0.6
141.07034	1.5
142.07796	12.4
143.04930	1.3
145.06467	2.5
145.10114	2.9
146.07286	1.1
146.10820	0.7
147.04453	1.7
147.08063	10.0
147.11691	18.1
157.04204	1.1
157.06477	0.8
157.10133	25.7
160.05174	8.9
160.08836	2.8
175.04015	1.3
175.07573	27.1
175.11194	100.0
175.14798	29.6
176.01990	3.6
176.11519	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03951	3.1
55.01837	0.8
55.05515	2.9
57.03453	0.7
61.01133	2.1
62.99078	0.7
65.00631	1.5
65.42854	0.7
67.05504	1.0
69.03403	1.1
69.07063	0.8
71.57745	0.7
71.92673	0.6
71.99103	0.8
78.03442	0.8
79.05476	2.0
81.07050	1.9
83.04997	0.8
85.01133	4.6
87.02688	3.0
89.23274	0.6
91.05478	7.5
93.07024	1.3
95.04926	0.8
95.08620	0.6
95.85074	0.6
96.04475	5.6
98.98463	26.6
101.04223	0.8
103.02164	1.9
103.05476	0.8
105.07031	64.6
107.08559	0.7
107.60155	0.6
109.06504	1.0
112.02193	6.8
115.03912	1.2
115.05435	0.7
116.06275	0.7
117.03728	1.0
117.07034	3.1
119.04942	17.6
119.08580	37.5
129.07013	6.7
131.08549	3.9
133.06462	0.8
133.08386	0.6
133.10132	8.3
141.06967	3.6
142.07779	40.6
145.10133	1.3
147.07979	1.0
147.11670	3.2
157.10127	64.1
158.10506	1.5
159.08028	0.9
175.07645	1.9
175.11183	100.0
175.14598	4.9
176.02019	3.6
176.11507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02372	0.7
53.03935	1.8
55.01854	2.3
55.05514	3.8
55.43361	0.7
57.03440	22.9
59.04974	1.1
61.01146	1.2
65.03938	2.1
67.05505	12.1
67.12717	0.7
69.03428	2.1
69.07058	2.8
69.21489	0.7
69.43803	5.3
71.67206	0.7
71.99122	0.8
77.03931	0.8
79.05505	6.2
81.07050	5.5
85.01122	2.3
87.02682	1.9
87.38410	0.7
91.05482	21.3
93.07083	3.4
95.04969	13.1
95.08576	2.5
96.04501	4.1
97.02859	0.8
98.20865	2.1
98.97857	1.4
98.98470	23.0
98.99117	1.1
103.02147	1.8
103.05469	1.0
104.06265	0.7
105.07032	31.2
107.04948	7.6
107.08564	2.1
112.02192	3.3
115.03921	0.9
115.05455	2.6
116.06196	1.1
117.07027	7.3
119.04949	0.8
119.08580	62.8
120.08890	1.2
121.06509	4.6
127.03860	0.7
128.06221	1.8
129.07001	8.5
131.04913	4.5
131.08583	4.4
132.05730	2.9
133.06493	28.1
133.10124	13.3
133.72951	0.7
135.08037	1.5
137.96840	0.7
141.06934	1.1
142.07787	9.6
145.06483	11.4
145.10130	2.8
146.07269	32.8
147.08049	66.0
147.11685	14.8
148.08392	1.1
156.65982	0.8
157.07562	1.6
157.10126	9.8
160.05244	1.1
160.08812	7.6
173.09555	0.6
175.07645	8.5
175.11185	100.0
175.14761	12.5
176.02011	2.3
176.11548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03941	0.9
55.05515	20.3
59.04989	3.8
65.03915	0.9
65.71915	0.7
67.05511	3.7
69.03412	0.9
69.07072	0.8
71.08614	2.4
71.56836	1.5
72.93777	1.8
76.02206	1.5
79.05473	2.3
81.00215	0.9
81.03402	1.0
81.07041	2.6
83.03887	0.8
83.04985	18.8
84.04514	1.0
87.04461	2.2
89.02401	1.5
90.94859	1.3
91.05470	11.0
93.07048	1.0
95.08660	1.0
97.02911	0.8
99.04479	0.9
99.63413	0.9
101.06020	13.5
103.03273	1.3
103.05451	1.1
105.07035	10.4
111.04441	21.6
113.05994	2.4
115.05491	4.5
116.06238	3.0
117.07024	9.5
119.08597	12.5
121.83036	0.7
122.78392	1.0
127.07548	2.9
128.06210	2.2
129.05493	7.4
129.06990	8.6
130.07797	4.2
131.08571	74.4
133.10109	2.7
138.51247	0.8
142.07799	1.0
143.07481	1.7
143.08560	23.0
144.09357	8.9
145.06497	4.2
145.10130	31.9
149.97235	1.4
155.05916	1.4
155.07050	14.8
155.08354	1.3
156.07352	0.9
156.09270	1.4
157.09996	1.2
158.07289	4.5
158.10913	35.3
171.11691	2.6
173.05934	3.0
173.08162	20.4
173.09648	12.3
173.13264	100.0
174.13605	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	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03968	0.7
55.01882	0.7
55.05516	12.0
58.07975	0.5
59.05032	1.6
67.05531	2.0
69.03454	0.9
69.41224	0.5
72.93827	1.8
76.02250	1.3
79.05492	0.7
81.03456	0.9
81.07091	0.8
83.04980	14.4
85.06576	0.6
87.04498	0.9
89.02414	1.2
90.90439	2.1
90.94855	1.2
91.05474	7.3
98.20671	0.8
98.21358	2.2
99.04469	0.9
101.06033	10.3
101.06694	0.9
103.03323	2.0
103.05472	1.2
105.07037	18.5
106.07452	0.6
110.18071	0.5
111.04446	13.9
113.06030	1.5
115.05452	10.4
116.06277	1.0
117.07020	12.5
119.08579	1.0
127.07592	1.4
128.06233	6.2
129.05525	5.5
129.07013	10.7
130.07790	66.5
131.05017	0.6
131.08609	9.3
141.06978	1.3
143.04944	2.2
143.08563	7.5
145.06499	2.8
145.10129	48.2
149.94069	2.1
149.96082	0.6
153.06992	2.1
154.07701	1.1
155.05943	1.1
155.07059	9.9
155.08569	15.7
157.06509	3.6
158.07278	83.2
158.10809	2.6
159.07553	0.9
167.97144	1.1
173.08192	14.3
173.09622	100.0
173.13211	11.5
174.09970	2.0
174.12694	0.8
183.09174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77692	0.3
55.01874	3.7
55.05510	1.7
55.33858	0.4
56.96567	16.2
57.03437	2.3
58.99861	0.8
59.05001	0.4
61.02927	0.6
61.90481	0.5
65.03947	2.5
66.17831	0.4
67.05499	0.8
68.05025	1.2
68.99788	1.3
69.03431	2.9
69.67593	2.5
70.06590	4.2
70.98107	0.4
70.99858	0.8
71.04994	0.7
71.07974	0.3
71.95277	2.1
72.04521	2.5
72.08157	0.4
73.02921	2.1
77.00887	1.4
81.03411	6.0
81.04548	1.1
83.00772	0.6
83.01315	0.6
83.04974	2.1
83.08625	0.6
84.04510	1.1
84.08137	2.9
85.01443	0.7
85.02891	2.4
85.07669	7.8
86.03692	0.4
86.99340	0.5
87.04465	3.5
87.52576	0.5
88.07623	3.2
89.00876	0.5
89.07166	1.3
90.01541	0.6
93.03400	0.5
95.06094	7.9
96.01540	0.6
96.06875	62.2
97.02893	4.1
97.07172	0.4
97.07664	8.1
97.96802	0.6
98.20869	0.9
98.21471	0.8
98.97588	15.9
99.04460	1.1
100.02483	1.1
101.00883	6.1
101.02486	0.4
102.02286	0.4
103.00652	0.7
103.02431	1.1
104.01327	0.6
104.02556	0.8
105.00340	0.5
105.02124	0.6
107.00163	0.6
107.01292	3.6
108.02413	0.4
109.02886	6.0
110.01299	1.4
110.07231	0.3
110.97579	8.7
111.00827	0.6
111.04448	8.9
111.53445	0.4
112.07592	0.6
113.00845	0.7
113.03368	0.4
115.02454	1.5
115.03937	0.7
116.00146	0.4
116.51976	0.4
116.98623	11.1
117.03934	0.5
118.03535	0.6
119.01909	22.8
120.01997	1.6
121.01687	4.1
121.03477	0.6
121.52087	0.4
122.02192	0.4
125.02370	3.4
125.07117	60.8
127.03928	5.4
128.02319	2.9
128.98615	12.9
129.02069	0.4
129.03995	0.6
130.05002	0.5
130.52612	0.5
131.00211	0.7
131.01933	3.2
133.01663	1.0
133.03481	2.9
134.02226	0.4
134.03662	0.5
134.99667	5.9
135.00674	0.7
135.03156	0.4
135.06396	1.0
137.02921	7.6
139.00285	4.7
139.02676	1.2
139.03882	9.4
139.53128	1.0
140.00215	0.7
142.96573	0.4
143.00175	0.5
143.01862	1.2
143.03412	0.5
145.03468	2.7
146.99655	11.1
147.01411	3.2
147.03198	2.3
147.05031	1.7
148.01471	2.9
148.53662	1.0
149.01193	1.3
149.02908	0.5
153.00702	0.8
153.01846	4.6
153.05447	0.7
153.06584	2.0
153.07468	1.7
154.03482	0.4
155.01979	0.4
157.01353	3.7
157.03455	1.6
160.04710	0.9
160.54489	0.8
161.02979	1.5
165.00720	1.3
165.02400	0.4
165.06119	0.5
170.01193	0.4
170.99750	0.9
171.01308	1.2
171.02972	5.3
171.07651	100.0
171.11266	15.3
171.14944	1.8
172.07977	1.4
172.09526	0.4
175.04573	0.9
176.04037	1.4
178.11929	0.4
185.02924	0.6
189.00734	1.0
189.02414	0.7
194.05054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
53.03955	6.4
55.01875	3.3
55.05512	3.4
59.01993	0.9
68.67410	0.8
69.03450	5.6
69.07069	1.0
69.26185	4.5
69.26616	4.3
72.04527	12.1
79.01868	10.1
81.03423	72.8
81.07059	0.9
83.04979	1.1
83.08630	2.6
85.02930	1.2
89.07157	8.2
93.41683	0.9
95.05017	1.0
96.02119	4.8
97.02908	6.6
97.06552	1.2
98.20714	2.0
98.21390	3.5
105.07056	1.2
107.01325	83.8
108.01656	1.4
109.02886	100.0
110.03249	1.9
111.04462	1.0
112.43127	1.0
119.33247	1.1
125.02366	52.8
125.06105	1.2
127.03928	83.0
128.04289	1.4
128.06255	3.7
129.07007	2.4
135.00787	7.9
137.03441	2.3
140.44205	0.9
141.06992	3.8
143.03424	3.8
143.08600	6.4
153.01842	80.3
155.08588	1.3
156.09372	18.9
156.10583	1.6
171.02907	28.5
171.04375	1.6
171.08003	1.4
171.11703	14.4
171.13249	1.1
171.13733	1.1
171.14920	7.0
185.69952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03941	2.2
53.82135	0.4
55.01871	4.3
55.05513	4.0
57.70417	0.4
61.61084	0.5
65.03944	29.0
67.05494	2.5
68.02654	1.1
68.99794	9.4
69.03426	2.2
69.07073	0.7
69.87769	0.5
70.82999	1.0
70.83320	0.5
71.01344	0.8
71.04995	0.7
72.04510	4.0
79.01857	2.2
81.03422	17.3
83.01341	0.6
83.04989	11.8
83.08611	1.3
89.07152	3.3
89.37574	0.4
93.03412	10.3
96.02122	1.4
97.02905	2.6
107.01320	12.1
109.02886	19.7
111.04447	92.2
112.04835	0.7
121.02908	1.7
121.03992	8.9
125.02365	10.4
127.03925	13.1
128.04291	0.7
135.00777	1.1
139.03908	100.0
140.04259	1.1
143.03357	0.9
153.01836	14.7
156.09402	0.7
157.01318	0.8
171.02917	6.6
171.06535	4.8
171.14915	1.8
181.34486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
50.01601	0.7
50.57812	0.8
51.02376	1.6
53.03943	6.0
55.01884	4.0
55.05515	1.9
62.99280	0.7
69.03431	5.5
69.07065	1.0
70.72671	1.5
71.05011	0.8
72.02800	0.7
72.04511	4.5
79.01865	7.5
79.05511	1.3
79.63211	0.7
81.03422	67.6
82.03749	0.9
82.43594	0.7
83.08638	1.2
89.07143	3.4
96.02113	2.7
97.02889	7.8
98.21135	1.1
102.30766	0.7
107.01323	72.0
108.01683	0.8
109.02884	100.0
109.10175	0.8
110.03221	1.3
111.04456	1.2
125.02358	56.4
126.02768	0.9
127.03925	83.6
128.04300	1.0
128.06235	1.5
128.34171	1.0
135.00775	8.5
137.03493	2.8
139.03868	1.0
143.03404	2.7
143.08531	1.7
153.01839	80.2
153.02815	2.9
154.02191	1.2
156.09380	3.1
171.02892	24.8
171.11694	2.7
171.14957	2.3
189.77748	0.7
192.46059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02368	1.5
53.03951	6.1
55.01868	3.6
55.02112	0.7
55.05500	1.7
69.03436	5.3
69.07048	0.8
70.95970	1.6
72.04523	5.3
76.43863	0.8
79.01838	7.6
81.03419	64.5
83.04948	1.0
83.08596	1.5
89.07148	3.6
90.67351	0.8
91.59910	0.8
93.07050	0.9
96.02100	2.5
97.02892	5.6
106.81790	0.8
107.01317	76.9
107.08565	0.8
108.01631	1.2
109.02881	100.0
110.03231	1.0
111.04419	0.8
112.57024	0.8
125.02354	57.1
125.05962	1.0
127.03918	80.0
128.06181	1.1
135.00784	7.9
136.30440	0.7
137.03432	2.1
143.03407	1.7
153.01831	76.6
154.02191	1.1
156.09340	2.6
171.02885	22.6
171.11644	1.5
171.14931	3.4
185.04387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1588
Annotation	(E)-2-Undecenal
Peak:m/z	Relative Intensity
55.05510	7.3
56.27146	1.1
57.07076	100.0
62.84963	1.0
67.05161	2.1
67.05502	23.2
68.99790	2.3
69.07066	6.6
69.60304	1.1
71.04994	60.4
71.57880	1.4
79.05520	1.6
81.03396	1.3
81.07060	19.2
83.08611	4.7
85.06547	2.3
95.08607	26.7
98.21178	1.2
109.02850	2.3
109.10153	18.3
111.00815	2.4
123.04414	2.5
123.08081	2.1
123.11698	3.6
126.03125	2.9
127.03909	2.2
127.11198	15.2
141.05437	7.2
141.07027	2.5
151.07516	6.8
154.07797	2.7
169.04985	5.4
169.08623	3.2
169.10120	9.0
169.15877	52.5
170.09610	2.0
177.90714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.06847	0.5
53.03944	1.6
54.93834	0.5
55.01871	2.7
55.05505	1.8
55.93523	0.8
56.05043	0.8
56.96568	26.3
57.03429	2.1
58.99860	0.8
59.04992	0.6
60.95829	0.9
61.02925	0.8
61.39090	0.5
65.03928	1.3
67.05479	1.1
68.05021	1.6
68.99795	1.6
69.03429	5.6
69.07075	1.6
69.78692	1.6
69.79096	1.3
70.06592	1.8
70.98114	0.7
71.05003	1.0
71.95230	0.8
72.04520	1.4
72.08147	0.9
72.93769	1.0
73.02917	2.3
73.26674	0.5
74.97628	1.1
77.00860	0.8
79.05508	3.5
80.05007	1.3
81.03423	5.1
81.05776	1.0
81.07056	1.7
82.06574	2.1
83.01319	0.7
83.04990	1.4
84.04501	1.6
84.08147	1.0
84.45671	0.5
84.96027	2.1
85.01423	0.8
85.02898	2.4
87.04447	0.6
88.18607	0.5
88.96906	0.8
88.99185	0.7
89.07154	0.8
90.96386	0.5
91.05470	1.1
92.04980	2.4
93.05782	2.9
94.06585	1.0
95.04962	1.0
96.01624	0.6
96.04504	1.2
96.06866	1.2
96.08139	4.3
97.02917	4.2
97.06565	0.8
97.99195	0.6
98.06067	1.3
98.21021	1.7
98.97581	2.6
99.04451	1.2
100.02486	2.3
100.07604	1.0
100.99163	0.9
101.00871	1.4
102.96924	0.6
103.02443	3.7
106.06557	2.1
107.01339	2.9
107.04941	0.7
108.08128	0.6
109.02890	3.9
110.06048	2.0
110.07158	0.8
110.97536	2.5
111.04433	1.7
112.07611	1.5
114.05521	1.6
115.02281	0.8
116.98592	2.9
117.03962	0.8
118.03530	1.6
119.00163	1.0
119.01924	5.6
119.04890	0.7
120.01995	0.6
120.03304	0.5
121.01571	0.9
121.03475	2.2
123.06811	1.0
123.99131	1.8
124.04712	0.9
124.07600	10.5
124.11197	1.2
125.02383	1.7
125.05981	0.8
126.04053	0.7
126.05499	1.0
127.01511	1.0
127.03992	3.8
128.03416	4.2
128.07056	1.4
128.95116	2.5
128.98604	5.7
129.00249	0.7
129.03941	0.8
130.06544	0.5
131.01869	0.8
131.03534	0.5
133.01740	0.7
133.03432	0.7
134.06015	68.8
134.99638	1.5
135.06416	0.7
136.05099	0.9
136.06186	1.4
137.02962	1.5
137.05959	0.9
138.54204	0.5
139.00240	2.4
139.03981	0.9
140.03481	0.6
141.10983	0.7
141.96939	0.5
142.00165	1.0
142.03455	1.0
142.05013	1.6
142.08643	4.9
143.01675	3.3
144.04973	1.0
145.03459	2.2
146.96118	2.3
146.97433	1.7
146.99658	6.6
147.01456	6.9
147.03227	1.4
147.04993	3.4
152.03542	2.3
152.07068	100.0
153.01826	3.2
153.07347	1.8
155.03355	1.0
156.02905	7.7
156.49875	0.5
157.01357	3.0
158.54807	1.0
158.99670	0.8
159.04292	0.6
161.01196	0.8
163.02707	0.8
164.96397	0.8
165.00659	2.2
165.01787	0.7
165.06110	1.1
167.55318	1.0
169.07668	0.7
170.01413	1.0
170.02965	6.1
170.04582	5.3
170.05765	0.8
170.08121	20.2
170.09631	7.8
170.11690	2.4
171.01195	2.0
171.02859	1.2
171.05025	0.6
171.07613	1.2
171.11310	1.7
171.14890	0.8
172.04646	0.8
173.01250	0.8
173.02980	0.8
176.07634	0.6
177.00710	0.8
177.04265	0.6
183.01689	0.6
187.04616	0.7
188.07710	0.7
189.00726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	4-Ipomeanol
Peak:m/z	Relative Intensity
53.03939	0.4
55.01842	0.4
55.05495	1.0
55.93511	0.5
67.05506	8.8
69.03411	1.2
69.63026	0.9
69.63461	0.9
77.27258	0.3
79.05482	1.3
81.03404	0.4
81.07068	1.6
83.04961	1.1
85.31018	0.3
91.05470	0.5
93.07047	2.0
95.04949	0.7
95.08608	16.2
97.31662	0.3
98.03632	0.2
98.21338	0.7
103.05463	0.4
105.07024	4.7
107.04954	0.5
108.05734	2.4
109.02834	0.5
113.05991	0.4
121.06487	0.4
123.08071	27.4
124.08334	0.4
126.06783	0.3
128.95078	0.5
133.87576	0.3
139.03879	0.6
141.05434	1.1
141.06987	0.6
146.96123	0.6
151.07545	100.0
152.07935	1.8
153.05412	0.5
154.06256	4.7
154.07582	0.5
169.04967	1.4
169.08614	69.1
169.97681	0.3
170.08951	0.8
172.83853	0.3
175.91707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03941	3.2
55.01870	3.3
55.05507	13.2
57.03425	6.1
57.06819	2.1
57.07078	27.7
59.04991	5.2
65.03942	8.3
67.01822	1.5
67.05504	48.6
68.99792	2.6
69.03076	2.7
69.03431	48.4
69.06766	1.8
69.07075	18.2
69.76267	8.8
71.04995	32.5
73.06544	2.7
79.05492	11.9
81.03411	8.9
81.06574	3.8
81.07056	71.7
83.04985	18.9
83.08629	7.6
85.02898	10.5
85.06543	100.0
91.05462	6.0
93.03394	2.9
93.07043	13.2
95.04966	20.1
95.08607	25.9
96.04510	1.8
97.06516	6.1
97.10171	3.4
98.03656	2.1
98.20873	3.4
98.21429	2.2
99.04436	5.8
99.08072	2.7
103.53257	1.6
105.07026	10.5
107.08590	12.3
109.02871	16.8
109.06519	22.4
109.10158	68.7
111.00812	11.3
111.04457	8.8
111.08082	16.3
112.45480	1.4
113.05985	17.2
116.29813	1.6
121.10133	24.6
123.04404	4.1
123.08077	18.5
123.11708	81.8
125.05982	3.8
125.09612	7.1
126.03140	17.3
127.03870	1.7
127.07568	1.6
133.10127	5.2
136.08887	2.2
139.11192	21.8
141.05469	39.1
151.03891	3.3
151.07530	2.5
151.11176	31.2
154.02623	1.6
154.07751	2.2
156.53133	1.8
169.05096	17.9
169.07593	68.3
169.09944	3.1
169.12241	76.8
170.08020	3.1
170.09431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03945	1.3
55.01870	0.9
55.05518	2.8
57.03433	0.7
57.07081	4.0
59.04993	2.3
65.03946	8.6
67.05169	0.7
67.05507	11.4
68.99775	0.6
69.03433	1.6
69.06718	0.9
69.07070	10.2
69.24753	2.6
69.25186	1.9
71.04993	3.2
72.29075	0.4
76.18862	0.4
79.05484	4.4
81.03401	1.4
81.07059	44.8
82.07401	0.8
83.04972	1.1
83.08630	0.9
85.02924	0.5
85.06547	2.4
87.04478	0.8
91.05479	1.8
93.03403	5.0
93.06541	0.4
93.07021	2.6
93.65583	0.5
95.04965	4.1
95.08610	11.2
97.02920	0.5
97.06546	1.2
99.04449	1.1
105.07050	3.0
107.04961	0.5
107.08588	8.2
109.02860	3.4
109.06522	4.3
109.10160	13.6
110.03661	1.3
111.00808	2.3
111.04449	11.6
111.08083	1.1
113.05997	1.1
121.10130	1.3
123.04432	1.6
123.08099	2.9
123.11712	100.0
124.12070	1.9
125.06004	4.4
125.09630	2.7
126.03139	2.5
127.07565	1.0
127.11208	0.5
133.10110	2.7
135.08075	3.0
139.05879	0.6
141.05487	7.5
141.06979	1.4
151.03902	4.4
151.07561	0.5
151.11189	8.6
153.09116	2.4
154.07817	0.5
167.30156	0.5
169.05016	4.9
169.06204	0.8
169.07573	8.9
169.10033	0.8
169.12241	9.7
170.08096	0.7
183.55881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03952	0.6
65.03927	0.9
67.01865	4.8
67.05502	3.6
68.99802	4.2
69.64017	4.2
71.66922	0.6
72.81307	0.8
81.03417	3.6
83.04957	1.2
85.02898	1.4
86.95261	0.7
95.04978	7.5
98.03693	1.5
98.20804	1.3
98.21445	1.3
109.02882	7.7
111.00826	6.5
111.04460	1.2
111.67504	0.6
123.04439	30.0
126.02393	0.8
126.03156	8.1
127.03938	9.4
134.21118	0.6
141.04369	1.5
141.05469	24.9
151.03912	44.2
154.02573	1.8
169.04979	100.0
170.05301	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.65725	0.8
53.03939	3.7
55.01861	2.4
55.05515	61.1
57.03432	3.7
57.07075	2.3
59.05012	5.5
65.03947	1.7
66.04694	1.4
66.84297	0.9
67.05510	12.8
68.99776	0.9
69.03075	1.1
69.03430	15.0
69.07074	7.3
69.62475	6.3
71.04989	3.2
76.96272	0.8
78.04719	15.0
79.05499	11.7
80.02179	0.9
81.07059	12.4
83.04986	66.7
83.08138	1.5
83.08623	24.0
85.06544	6.8
87.94693	0.8
91.05487	6.3
93.07049	16.4
95.04973	4.2
95.08627	8.0
97.06532	4.6
97.10184	6.7
98.20830	1.7
98.21378	1.3
99.08099	1.3
105.03436	1.2
105.07012	4.2
106.04186	6.0
107.04974	5.7
107.08609	14.6
109.02893	1.8
109.06522	2.6
109.10156	15.9
111.04465	2.3
111.08087	20.6
112.08880	5.3
113.09627	2.8
119.08598	1.2
121.02879	1.3
121.06499	3.4
121.10143	14.2
122.03666	2.0
123.04436	26.3
123.08036	1.7
123.11714	6.5
124.05253	7.9
125.05901	1.0
125.09637	10.9
131.08539	1.1
134.03633	1.4
135.04420	1.7
137.02365	0.9
137.06079	1.7
139.07562	2.3
139.11252	1.3
149.02368	1.4
149.05989	2.9
149.09633	2.5
149.13277	4.8
151.03920	5.7
152.04701	5.8
167.03479	5.3
167.07053	100.0
167.10713	3.0
167.14314	31.0
168.04099	1.0
168.07417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77545	0.5
56.96571	1.8
67.05507	0.6
67.92503	0.7
70.41149	1.0
70.41481	1.1
79.05506	0.6
82.94864	1.5
84.99574	1.3
85.97269	2.9
85.99938	0.7
94.06570	1.6
96.08066	0.5
98.21243	0.8
100.02483	1.7
102.02241	1.5
103.00635	18.0
103.01240	0.8
103.98327	21.8
103.99026	1.1
104.00928	7.9
112.07610	0.7
115.01187	1.3
117.02181	1.6
118.03508	1.4
119.01920	1.7
119.03745	1.3
120.02020	2.0
121.01664	100.0
121.99366	89.0
122.01964	41.7
122.06001	1.2
122.09621	0.6
122.99427	2.1
123.02127	1.2
126.02212	2.3
126.93735	0.7
126.99928	2.3
127.02477	3.4
131.01967	0.6
135.03214	2.6
136.00871	1.1
138.03073	0.7
139.02684	32.4
140.00403	56.5
140.02992	17.1
140.07072	0.7
141.00439	0.8
141.03091	0.6
141.05240	0.7
144.02094	0.9
144.03236	33.9
145.00945	82.9
145.03560	51.0
146.01031	1.6
146.03801	1.0
150.05463	1.1
159.02480	1.5
159.05070	0.7
162.04286	11.4
162.05693	0.8
162.06122	0.7
163.01973	75.2
163.04634	18.6
164.02090	2.0
167.04732	0.8
168.02495	2.5
168.05099	2.5
168.06525	2.0
172.05064	0.6
177.03471	1.6
181.03714	0.7
186.03366	2.6
186.06012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
54.57180	0.7
55.01868	1.9
55.05514	57.4
57.03424	2.2
57.07066	2.9
59.04998	5.9
65.03930	2.5
66.04713	1.3
67.05511	13.1
69.03432	14.1
69.07066	7.7
70.20605	1.6
70.20998	1.8
71.05006	3.9
73.06536	1.3
78.04321	1.3
78.04719	15.3
79.05489	12.3
81.03416	1.1
81.07059	11.3
83.04984	66.7
83.08621	23.3
85.06561	5.8
91.05466	6.0
93.03405	1.2
93.07049	14.5
94.04196	1.2
95.04979	5.3
95.08608	7.8
96.05782	1.1
97.06539	5.5
97.10164	7.0
98.21294	1.2
99.08099	1.6
105.03375	0.9
105.07035	2.2
106.04171	6.4
107.04970	6.0
107.07872	1.0
107.08598	17.6
109.02893	1.5
109.06520	3.0
109.10160	14.5
111.04433	1.3
111.08086	17.7
112.08878	4.9
113.09646	2.3
121.02860	0.8
121.06475	0.9
121.10141	13.4
122.03648	1.7
123.04437	29.0
123.08057	1.0
123.11713	4.8
124.05241	9.1
125.05994	1.7
125.09647	9.8
134.03630	0.9
137.06021	2.2
139.07567	2.2
139.11250	1.3
149.02390	1.1
149.06010	1.8
149.09586	2.2
149.13234	6.3
149.17818	0.8
151.03909	4.4
152.04666	5.3
157.05009	1.8
167.03423	5.4
167.07048	100.0
167.10675	4.0
167.14313	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03939	1.6
54.89489	0.4
55.01873	0.8
55.05518	1.6
57.03432	0.5
61.89233	0.3
65.03934	1.2
66.04714	0.7
66.69597	0.4
67.05503	1.9
69.03417	1.0
69.07055	0.9
69.89292	1.6
77.03934	0.5
78.04716	12.7
79.05492	5.6
81.03404	1.0
81.07062	2.3
83.04996	2.8
83.08622	0.8
85.06512	0.6
91.05494	2.4
91.13029	0.3
92.02613	0.4
93.03411	0.9
93.07044	4.5
94.04172	1.1
95.04970	2.9
95.08604	1.2
96.05756	0.9
97.02912	0.5
97.06525	0.9
98.20937	0.6
103.00620	0.4
105.03405	1.2
105.07027	1.3
106.04184	6.5
107.04960	2.6
107.08603	3.9
108.44585	0.3
109.02870	1.6
109.06499	1.4
109.10175	0.4
109.29561	0.3
111.04453	0.8
111.08096	0.7
120.02094	0.4
121.01640	0.8
121.02850	1.0
121.06534	0.8
121.10137	4.0
122.03638	1.4
123.04437	27.5
123.08060	2.6
123.11717	0.5
124.05241	7.3
125.05993	0.8
125.09625	1.1
131.08545	1.1
134.03632	1.5
135.04431	1.1
137.01575	0.5
137.05963	1.0
138.03099	0.7
139.03932	0.6
139.07532	0.7
139.09575	0.4
139.11131	0.4
143.96831	0.4
149.02353	1.0
149.05968	0.5
149.09648	1.5
151.03918	5.7
152.01004	0.3
152.04677	5.6
157.04948	0.5
165.05518	0.4
167.07048	100.0
167.10689	2.9
167.14337	0.7
168.04239	0.6
168.07378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
50.26578	0.3
53.03943	2.8
53.65062	0.2
55.01869	0.9
55.05517	1.3
61.86948	0.2
65.03929	0.5
65.21147	0.2
66.15677	0.2
67.01865	12.1
67.05501	0.8
68.99789	0.6
69.03429	0.6
69.07062	0.5
69.36472	2.1
71.04976	0.3
77.03925	0.5
78.04704	0.5
79.05498	1.3
81.03413	0.8
81.07053	1.0
83.01353	1.5
83.04980	2.2
83.08630	0.3
85.02908	2.5
91.04900	0.3
91.05480	8.0
93.07044	31.8
93.51822	0.2
94.07391	0.8
95.01321	0.8
95.04964	3.3
95.08636	0.3
97.06534	0.6
98.20953	0.9
103.05480	0.3
105.04531	0.7
107.08582	0.7
109.06525	1.3
111.00822	0.4
111.04435	0.5
111.08078	2.6
121.06506	10.3
121.10148	0.5
122.06882	0.3
123.04427	0.6
124.01598	0.3
124.05203	2.3
125.06020	0.4
125.08213	0.5
137.05975	1.0
139.07545	16.3
143.96674	0.4
144.03271	0.3
149.05984	16.1
150.06485	0.3
155.07025	0.7
167.03421	12.2
167.07040	100.0
168.03787	0.3
168.07375	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	167.0704
Annotation	6100-74-9
Peak:m/z	Relative Intensity
53.03940	1.3
55.05498	0.7
65.03933	0.6
66.04718	1.1
67.01856	1.2
67.05491	1.1
69.03418	0.4
69.07059	0.4
69.35991	1.8
69.36401	1.0
71.04987	0.5
77.03938	0.5
78.04713	15.2
79.05485	5.0
81.03425	0.7
81.07059	2.0
83.04984	0.5
85.02849	0.3
91.05469	1.9
93.03403	1.0
93.07053	4.4
94.04171	1.3
95.04956	2.2
95.08608	0.9
96.05756	1.1
97.06514	0.5
105.03396	1.1
106.04181	7.2
107.04951	3.3
107.08594	1.9
109.02891	1.9
109.06522	0.9
110.03630	0.4
111.08064	1.0
121.02843	0.6
121.06499	1.4
121.10137	2.0
122.03623	1.6
123.04431	25.3
124.05225	7.5
134.03630	1.1
135.04430	0.8
137.02309	0.6
137.05977	1.6
139.07530	1.7
139.11179	0.4
149.02388	0.6
149.05956	1.4
149.09657	0.5
150.03059	0.4
151.03906	5.9
152.04691	6.1
155.88818	0.4
157.04938	0.3
167.07042	100.0
168.04170	0.7
168.07368	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	167.0703
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03952	2.8
55.01866	0.6
55.05507	1.0
55.06803	0.3
61.36423	0.4
62.66527	0.3
67.01868	14.0
67.05492	0.7
69.47866	2.8
77.03955	0.3
78.04694	0.6
78.86338	0.3
79.05517	0.6
81.03425	0.6
81.07048	1.1
83.01330	1.0
83.04985	1.0
85.02899	3.1
90.44771	0.3
91.05487	7.8
93.07050	36.1
95.01333	0.9
95.04980	3.6
98.21070	1.6
105.04519	1.3
107.08576	0.6
109.06510	1.4
111.04442	0.5
111.08081	2.8
121.06514	10.8
124.05210	1.4
125.08220	0.7
137.05927	0.8
139.07547	15.8
149.02261	0.5
149.05994	20.9
155.07071	0.5
167.03421	2.9
167.07050	100.0
168.07440	2.0
182.51340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03950	2.9
55.01851	0.6
55.05502	1.0
62.15936	0.5
67.01868	15.1
68.96053	0.4
71.57835	0.7
77.03928	0.5
79.05500	0.9
81.03414	0.6
81.07059	0.5
83.01353	1.4
83.04967	0.8
85.02911	3.7
91.04955	0.7
91.05480	8.3
93.07047	38.4
94.07384	0.6
95.01349	0.8
95.04963	3.0
105.04494	1.1
109.06542	0.8
111.08091	2.4
121.06509	10.7
124.05209	1.5
125.08212	2.3
137.05940	1.0
139.07544	14.3
149.02321	0.6
149.05981	21.7
149.09731	0.5
156.79094	0.4
167.03421	6.7
167.07045	100.0
168.07401	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	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02392	0.4
52.15553	0.3
53.03924	1.0
55.01859	0.8
55.05512	0.6
65.03925	0.9
66.04708	0.9
67.05492	0.7
68.99782	0.4
69.03419	0.8
69.89974	1.6
77.03924	0.6
78.04714	13.1
79.05495	5.3
81.03405	1.2
81.07052	1.2
83.04978	1.1
91.05493	2.7
93.03394	0.4
93.07053	3.2
94.04195	0.9
95.04951	1.9
95.08605	0.4
96.05745	0.6
97.06516	0.5
97.92326	0.3
98.20811	0.5
98.21376	0.7
103.00606	0.4
105.03379	1.0
105.07027	0.5
106.04174	5.8
107.04942	1.5
107.08565	1.4
109.02878	1.5
109.06511	0.7
111.04444	0.8
111.08090	0.4
115.20330	0.3
120.02113	0.4
121.01644	0.6
121.02859	1.5
121.06531	1.8
121.10151	0.9
122.03635	1.7
123.04434	23.3
124.05237	5.9
134.03654	1.2
135.04405	0.8
137.05998	1.1
139.03894	1.3
139.07536	0.7
144.03178	0.5
148.46307	0.3
149.02390	1.7
149.05962	0.9
149.09644	0.7
150.03087	0.4
151.03896	4.1
152.04666	4.6
167.03448	2.2
167.07043	100.0
168.07413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03933	1.1
55.01867	1.0
55.05515	1.2
57.03441	0.3
65.03930	0.3
67.01868	1.0
67.05505	1.2
68.99793	0.5
69.03424	0.5
69.07063	0.6
70.48222	0.6
78.04711	0.5
79.05493	1.5
81.03448	0.5
81.07058	0.8
83.01336	1.5
83.04977	0.8
83.08607	0.5
84.96035	0.3
85.02898	1.2
91.05485	3.9
93.07054	7.3
95.04965	2.0
97.06528	1.2
98.20787	0.2
98.21321	0.3
103.05460	0.4
105.04526	0.5
107.04961	0.4
107.08592	0.8
109.06513	0.5
111.04436	0.2
111.08096	2.6
121.01630	0.4
121.06520	8.6
121.10149	0.5
122.13171	0.2
123.04429	0.9
124.01581	0.6
124.05215	8.1
124.61896	0.2
125.06047	0.2
137.06010	0.7
139.07547	31.1
140.07896	0.6
141.20227	0.2
143.96698	0.4
144.03247	0.3
145.36081	0.2
149.02321	0.5
149.05981	2.0
149.09685	0.2
152.01031	0.5
165.05525	0.7
165.06989	0.2
167.03423	7.4
167.07050	100.0
167.14355	0.6
168.07391	2.1
170.02165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.3
53.00302	0.4
53.03952	2.9
55.01865	1.1
55.05505	1.3
65.03934	0.8
67.01864	14.6
67.02226	0.8
67.05493	1.2
68.99765	0.6
69.03415	0.9
69.07057	0.8
71.04990	0.6
77.03946	0.4
78.04688	0.4
79.05482	1.4
81.03403	0.9
81.07050	1.0
83.01338	0.7
83.04981	1.7
83.08627	0.7
85.02901	3.3
91.05479	8.4
93.07044	38.8
94.07390	0.5
95.01311	1.1
95.04964	4.3
95.08570	0.3
97.02886	0.6
97.06529	0.9
98.21264	2.1
98.98458	0.5
103.05475	0.5
105.04504	1.3
107.08580	1.8
109.06512	0.9
111.04425	1.1
111.08074	2.8
121.01694	1.0
121.02859	0.3
121.06504	10.9
121.10107	0.9
122.06856	0.4
123.04426	0.7
124.01581	1.0
124.05219	1.0
139.02803	0.5
139.03917	1.3
139.07542	15.5
143.96759	0.9
144.03290	0.4
149.02371	0.7
149.05988	21.6
149.09621	0.6
150.06392	0.3
152.01080	0.4
152.06270	0.4
153.77390	0.3
165.06979	0.3
167.03413	16.7
167.07040	100.0
168.07399	1.9
170.02069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03947	2.6
55.01868	1.6
55.05513	2.9
57.03442	0.5
63.11915	0.5
65.03940	0.8
67.01867	2.7
67.05491	1.9
68.99804	4.2
69.03420	1.4
69.07052	1.4
69.09438	0.4
71.57978	0.5
76.17021	0.5
78.04710	1.7
79.05508	4.5
79.38010	0.4
81.03403	1.9
81.07051	1.7
83.01362	2.5
83.04991	4.2
83.08602	0.7
84.96043	1.1
85.02889	1.4
91.05482	4.6
91.74547	0.5
93.03402	0.6
93.07048	10.9
95.04967	3.0
95.08605	1.0
97.02866	1.3
97.06518	1.8
98.21178	0.7
103.05444	0.7
105.04484	1.0
105.07058	0.6
107.04941	1.8
107.07974	0.6
107.08607	3.6
109.02872	0.8
109.06514	1.2
109.10138	0.7
111.04453	2.0
111.08092	2.5
121.01682	2.2
121.06514	7.0
121.07432	0.7
121.07606	0.6
121.08472	0.9
121.10132	2.1
123.04411	3.3
124.01595	6.2
124.05214	6.8
125.05948	0.5
125.96403	0.7
126.40146	0.5
137.05952	0.9
139.02701	1.1
139.03870	1.1
139.07547	24.9
143.96750	1.4
144.03264	1.4
149.02330	1.8
149.06012	3.6
149.09628	0.9
152.01018	1.9
152.06197	1.0
164.62782	0.5
167.03415	66.1
167.07050	100.0
167.08263	3.7
167.14345	1.2
168.03726	1.1
168.07376	1.7
170.02107	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	167.0336
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03944	2.6
55.01870	3.0
55.05498	0.9
65.03936	0.9
67.01862	2.3
67.05491	1.4
68.02637	0.5
68.85201	0.5
68.99791	8.8
69.03447	2.2
69.07059	1.6
71.01326	0.8
79.05473	1.6
81.03417	2.5
81.07049	1.6
83.01349	1.6
83.04968	1.8
85.02930	0.7
91.05478	4.2
93.03391	0.6
93.07056	8.1
95.04978	2.2
96.02078	0.4
97.02888	1.0
97.06506	1.4
98.20802	1.4
98.21501	1.3
99.04472	0.8
107.04959	0.8
107.08561	0.6
111.04437	2.8
111.08076	2.1
111.10569	0.5
121.02873	0.5
121.06525	6.5
123.04445	0.8
124.01583	16.3
124.05204	4.4
125.08213	0.5
127.03858	0.9
137.02350	1.3
137.05963	0.6
138.98892	0.5
139.03908	1.2
139.07544	21.8
143.96758	0.5
149.02423	0.7
149.05988	4.6
152.01047	5.4
167.03407	100.0
167.07045	69.6
167.14278	0.6
168.03725	1.6
168.07335	1.3
170.02109	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	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.32429	0.2
53.03944	1.7
55.01871	1.4
55.05512	4.9
57.03420	0.3
65.03939	1.2
67.01877	1.3
67.05486	0.6
68.99782	1.3
69.03423	2.2
69.07072	0.4
69.65916	1.8
69.99110	0.3
79.05496	0.4
81.03413	1.3
81.07059	0.6
83.01342	3.1
83.04984	8.5
91.05469	1.7
93.03413	1.4
93.07049	4.8
95.04973	0.6
97.02914	1.3
97.06502	0.5
98.20853	0.6
107.08588	0.5
111.04429	2.9
111.08083	0.7
121.01683	0.3
121.02863	0.5
121.06505	2.1
121.08504	0.3
121.10141	0.9
123.04469	0.4
124.01544	0.4
124.05257	1.3
137.05978	0.3
139.03909	1.8
139.07535	6.1
143.96721	0.6
144.03281	0.3
149.05969	2.4
165.01869	1.1
167.03410	100.0
167.07051	25.1
167.08316	1.3
168.03802	1.3
168.07373	0.3
170.02174	0.5
183.02925	0.5
185.04564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.01612	0.2
51.07940	0.2
53.03944	1.1
55.01877	2.4
55.05495	0.5
62.89625	0.2
65.03940	0.9
67.01864	1.7
67.05494	0.5
68.02644	0.4
68.99789	8.5
69.03432	1.2
69.89256	0.5
69.89645	0.4
71.01360	0.9
71.04992	0.4
76.76330	0.2
78.01076	0.3
79.01865	0.4
79.05487	0.3
81.03415	2.0
81.07047	0.3
83.01315	0.3
83.04981	0.9
90.58492	0.2
91.05470	1.1
93.03411	0.4
93.07035	2.8
95.01313	0.2
95.04953	0.3
96.02082	0.7
97.02906	1.4
97.06524	0.2
98.21056	0.5
99.04443	1.5
107.04961	0.4
107.08601	0.3
108.02166	0.2
109.02872	0.3
109.06535	0.4
111.00822	0.4
111.04436	2.7
111.08092	0.3
121.02843	0.4
121.06501	0.8
124.01572	15.0
124.05188	0.3
125.02379	0.2
127.03876	0.8
134.76347	0.2
137.02341	1.4
139.03893	1.4
139.07526	1.2
149.02356	0.5
149.05994	1.2
152.01044	7.6
152.04649	0.3
167.03400	100.0
167.07036	10.4
168.03758	1.7
170.02104	12.5
171.02492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01875	2.1
55.05499	0.8
58.73627	0.3
65.03933	1.0
65.78187	0.3
66.02732	0.3
67.01861	1.4
67.05500	0.8
68.02661	0.6
68.99430	0.5
68.99790	8.3
69.03413	1.1
70.15462	1.2
71.01326	0.4
71.02942	0.3
71.04959	0.5
79.01833	0.5
79.05485	0.4
81.03414	2.1
82.73708	0.3
83.01336	0.5
83.04971	1.4
86.90349	0.3
91.05511	0.8
93.03421	0.6
93.07034	2.2
95.04964	0.6
96.02124	0.5
97.02903	1.5
98.21072	0.9
99.04459	1.4
109.06509	0.5
111.04456	2.5
121.02923	0.4
121.06490	1.0
123.11790	0.4
124.01579	15.1
127.03906	0.7
137.02322	0.9
139.03914	0.9
139.07542	1.0
144.53661	0.3
149.02307	0.6
149.05994	0.9
152.01047	6.6
153.81731	0.4
155.55930	0.3
167.03401	100.0
167.07045	9.4
168.03758	2.0
170.02103	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	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03952	1.7
55.01872	1.9
55.05505	1.1
57.03422	0.3
65.03936	1.2
67.01856	1.5
67.05490	1.1
68.02632	0.5
68.99791	10.0
69.03421	1.6
69.07059	0.7
71.01331	0.8
71.04951	0.4
71.57289	0.5
79.01839	0.6
79.05475	0.8
81.03418	2.0
81.07056	0.7
83.01340	0.7
83.04980	1.1
88.06591	0.2
91.05473	1.7
93.03409	0.5
93.07047	2.9
95.04961	1.1
95.08582	0.3
96.02128	0.6
97.02899	1.3
97.06544	0.5
99.04447	1.6
107.04928	0.8
107.08573	0.8
109.02862	0.4
109.06530	0.4
111.00822	0.5
111.04438	2.4
111.08089	0.7
117.38242	0.3
121.01651	0.5
121.02837	0.6
121.06503	2.6
121.10110	0.7
123.04469	0.3
124.01581	16.0
124.05197	1.7
125.02419	0.3
125.05981	0.7
127.03925	0.6
137.02324	1.4
137.05978	0.8
137.19559	0.3
139.03932	1.2
139.06493	0.5
139.07544	8.5
143.96811	0.4
144.03270	0.4
149.02348	0.5
149.05989	1.0
152.01044	6.9
152.04782	0.3
167.03404	100.0
167.07040	29.1
168.03735	1.4
170.02113	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	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.78487	0.2
52.11400	0.2
53.03936	0.9
55.01657	0.2
55.01875	2.1
55.05501	0.7
57.03426	0.2
57.28760	0.2
65.03942	1.0
67.01851	0.9
67.05493	0.5
68.02645	0.7
68.98196	0.2
68.99792	7.8
69.03419	1.3
69.07052	0.3
69.75378	1.1
71.01345	0.9
71.04982	0.4
78.01083	0.4
78.68046	0.2
79.01867	0.4
79.05515	0.5
81.03422	2.1
81.07048	0.4
83.01334	0.6
83.04997	1.6
91.05476	0.6
93.03413	0.7
93.07042	1.4
95.04967	0.3
96.02100	0.5
97.02897	1.0
97.06564	0.3
98.21178	0.6
99.04445	1.2
105.07082	0.2
107.04961	0.2
107.08589	0.8
109.02840	0.2
109.06521	0.2
111.00796	0.4
111.04440	3.3
121.01662	0.4
121.02871	0.7
121.06505	0.6
121.10156	0.3
123.04456	0.3
124.01578	13.7
124.05227	0.4
127.03932	0.5
137.02356	1.5
139.02849	0.2
139.03900	3.0
139.07573	1.5
143.96750	0.4
144.03224	0.3
149.02373	1.2
149.06044	0.3
149.09657	0.3
149.13329	0.3
152.01060	5.9
167.03406	100.0
167.07042	6.0
168.03743	1.6
170.02115	12.0
170.61917	0.2
187.31305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.01868	1.4
55.05495	1.0
56.22631	0.2
57.30222	0.2
65.03936	0.8
67.01868	3.8
68.02644	1.0
68.99431	0.4
68.99793	7.1
69.03433	1.1
71.01332	0.4
71.40135	0.2
75.51464	0.2
79.01861	0.6
79.05487	0.4
81.03430	1.7
83.01335	0.6
83.04975	1.6
93.03390	0.6
93.07043	1.5
96.02110	0.5
97.02906	1.2
98.21120	1.5
99.04434	1.0
107.08575	0.4
111.00777	0.4
111.04456	4.8
121.01659	0.3
121.02871	0.3
121.06489	0.6
124.01575	9.8
125.02348	0.3
127.03962	0.5
137.02353	0.9
139.02914	0.2
139.03926	1.1
139.07541	1.1
149.02347	0.3
149.05960	0.8
151.99858	0.4
152.01060	5.7
167.03409	100.0
167.07033	5.2
168.03751	1.6
170.02132	8.0
170.03427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03935	1.3
55.01877	2.5
55.05500	1.4
57.03439	0.6
57.83151	0.3
58.06416	0.3
65.03933	1.0
67.01863	1.7
67.05507	1.7
68.02636	0.6
68.99427	0.5
68.99789	8.1
69.03416	0.9
69.07049	1.2
69.93722	1.9
71.01348	0.6
71.04984	1.0
78.04707	0.3
79.01846	0.5
79.05499	2.1
81.03404	2.0
81.07051	1.5
83.01324	0.4
83.04987	3.9
83.08640	0.4
91.05472	0.9
93.03392	0.7
93.07043	3.3
95.04949	0.5
95.08620	0.4
96.02097	0.6
97.02883	1.3
97.06516	1.3
98.20848	0.6
98.21387	0.5
99.04441	1.3
107.08590	1.3
109.02885	0.6
109.06501	0.4
109.10210	0.3
111.04436	2.9
111.08067	0.5
121.01683	0.5
121.02828	0.5
121.06515	0.6
121.10126	1.4
123.04440	0.6
124.00663	0.8
124.01572	13.8
124.05133	0.4
125.02370	0.5
127.03907	0.5
130.10902	0.3
137.02332	1.6
139.03874	1.3
139.07530	1.4
143.96750	0.5
149.02327	0.5
149.09644	1.0
149.13188	0.4
152.01038	6.3
167.03400	100.0
167.07050	6.4
167.08525	1.4
167.14328	2.2
168.03767	1.6
170.02112	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	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.88758	0.2
53.03946	1.0
54.53823	0.2
55.01875	1.9
55.05500	0.6
57.03423	0.3
62.04441	0.2
65.03931	0.8
67.01864	1.1
67.05491	0.4
68.99789	7.7
69.03427	1.4
69.73949	0.6
69.74371	0.8
71.01345	0.4
71.05001	0.5
78.04718	0.4
79.01858	0.4
79.05482	0.7
81.03422	2.3
81.07059	0.2
83.01334	0.6
83.04979	1.4
91.05484	0.4
93.03395	0.4
93.07019	1.0
95.04994	0.5
95.08623	0.3
96.02090	0.5
97.02893	1.2
97.06545	0.3
98.21016	0.6
99.04455	1.2
107.04927	0.5
107.08605	0.3
109.02879	0.5
111.00804	0.4
111.04437	2.7
121.01602	0.3
121.02875	0.5
121.06509	0.8
121.10093	0.3
123.04420	0.9
124.01579	14.4
124.05186	0.9
125.02340	0.4
127.03923	0.9
134.74516	0.2
137.02385	1.4
139.03841	1.0
139.07530	1.9
149.02338	0.4
152.01053	7.9
167.03403	100.0
167.07045	8.8
168.03731	1.6
170.02110	10.7
174.79619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.87951	0.3
55.01878	1.9
55.05502	0.8
65.03928	0.9
67.01863	1.4
67.05524	1.4
68.02646	0.6
68.99432	0.5
68.99792	7.8
69.03423	1.1
69.07048	0.5
71.01348	0.5
71.04977	0.6
71.56916	0.3
78.04678	0.4
79.01850	0.4
79.05483	1.1
81.03439	1.9
81.03823	0.4
81.07039	1.2
82.44166	0.3
83.04979	1.5
84.96000	0.3
91.05461	1.2
93.07037	2.5
95.04963	0.8
96.02071	0.3
97.02888	1.2
97.06506	0.8
99.04457	1.2
107.04994	0.5
107.08604	2.2
109.02869	0.4
109.06522	0.4
111.00813	0.6
111.04440	3.2
111.08067	0.3
121.01669	0.5
121.02850	0.6
121.06483	0.8
121.10130	1.1
123.04391	0.5
124.01579	13.9
124.05189	1.0
125.02343	0.4
127.03917	0.8
137.02350	1.2
139.03905	1.1
139.07562	3.0
143.96716	0.4
144.03252	0.5
149.02312	1.4
149.06017	0.6
149.09584	0.6
149.13258	0.3
149.14589	0.2
151.99846	0.3
152.01067	6.1
152.04745	0.3
167.03407	100.0
167.07063	12.7
167.08539	1.0
167.14294	0.5
168.03763	2.2
170.02110	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	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03941	2.3
55.01862	2.1
55.05511	2.5
62.12326	0.5
62.36147	0.5
65.03938	1.2
67.01863	4.5
67.05503	0.8
68.99792	8.7
69.03425	1.4
69.64944	1.1
69.65365	2.2
75.11247	0.4
79.05479	0.7
80.75858	0.4
81.03427	2.3
81.07060	0.8
83.01344	1.3
83.04963	2.1
84.84510	0.5
91.05490	3.0
93.03435	1.1
93.07050	10.3
95.04971	1.7
95.08653	0.5
97.02889	1.5
97.06525	0.8
98.21157	1.5
99.04452	1.6
105.04491	0.6
107.08605	1.2
109.06516	1.2
111.04455	2.0
111.08022	0.8
121.06528	3.2
121.10104	0.9
123.04314	0.6
124.01585	13.4
125.08303	0.5
127.03905	0.8
137.02338	1.2
139.03955	1.2
139.07568	4.7
149.02350	0.8
149.04962	0.7
149.06007	6.8
152.01038	5.3
167.03409	100.0
167.07045	33.2
168.03754	2.0
170.00674	0.7
170.02118	11.7
183.02936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.3
51.38096	0.2
52.34927	0.2
53.00325	0.2
53.03949	1.4
55.01877	1.4
55.05519	1.7
56.88560	0.2
65.03936	1.1
67.01861	1.6
67.05501	1.0
68.02641	0.3
68.99434	0.4
68.99792	7.2
69.03438	1.3
69.07064	0.3
70.69855	0.4
70.70198	0.5
71.01348	0.9
71.05003	0.3
78.04700	0.4
79.01856	0.3
79.05479	0.7
81.03403	2.1
81.07044	0.7
83.01339	0.9
83.04977	2.7
83.08641	0.3
84.93026	0.3
85.03297	0.2
88.42208	0.2
91.05480	1.0
93.03404	0.8
93.07037	2.5
95.04964	0.7
95.08575	0.2
96.02092	0.5
97.02913	1.2
97.06539	0.3
98.98510	0.3
99.04444	1.1
107.08605	1.3
107.31290	0.2
109.02888	0.3
109.06483	0.5
111.04453	2.2
111.08108	0.4
121.01646	0.3
121.02892	0.5
121.06458	1.2
121.10126	0.6
123.04412	0.5
124.01580	11.6
125.02368	0.4
125.05917	0.3
125.09568	0.3
127.03890	0.7
131.08516	0.2
137.02339	1.3
139.03914	1.6
139.07539	1.4
143.96709	0.6
149.02328	1.0
149.05968	1.3
149.09660	0.4
149.13223	0.3
149.75558	0.2
152.01059	5.0
165.01872	0.3
167.03406	100.0
167.07047	8.6
167.10677	0.5
167.14394	0.5
168.03775	1.4
170.02112	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	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03949	1.4
54.68354	0.2
55.01660	0.2
55.01877	2.2
55.05493	0.9
57.03430	0.4
57.72338	0.2
65.03928	0.8
67.01865	1.1
67.05514	1.1
68.02641	0.6
68.99794	8.7
69.03432	1.5
69.07088	1.2
71.01352	0.9
71.04979	0.6
71.56430	0.2
78.04724	0.4
79.01860	0.4
79.05482	1.3
81.03412	2.0
81.07060	1.3
83.01324	0.3
83.04981	1.8
83.08604	0.3
85.02863	0.3
89.17834	0.2
91.05474	1.0
93.03407	0.6
93.07046	3.9
95.04968	0.4
95.08616	0.6
96.02145	0.4
97.02897	1.5
97.06538	1.0
98.21143	0.3
99.04452	1.6
107.04962	0.5
107.08604	2.5
109.02843	0.4
109.06519	0.5
109.10159	0.5
111.00841	0.4
111.04434	3.3
111.08049	0.7
121.01646	0.3
121.02912	0.4
121.06486	0.8
121.10162	1.4
123.04449	0.6
123.11761	0.3
124.01576	15.1
124.05170	0.5
125.02332	0.2
127.03907	0.8
131.08519	0.3
134.94385	0.2
135.00804	0.3
137.02316	1.5
139.03918	0.9
139.07532	2.0
143.96687	0.3
144.03319	0.3
149.02359	0.6
149.06015	1.3
149.09698	0.5
149.13274	1.6
152.01059	7.5
167.03407	100.0
167.07048	11.4
167.10677	0.7
167.14285	1.5
168.03732	1.8
170.02113	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	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02391	0.2
52.12623	0.1
53.03937	0.1
70.06071	0.6
79.05490	1.2
91.05467	0.7
91.34177	0.1
93.07051	2.5
94.26804	0.1
95.04967	0.2
98.21127	0.3
99.19994	0.1
102.00989	0.1
103.05473	11.1
104.05815	0.2
107.04960	2.1
120.02059	0.3
120.08111	100.0
121.07683	0.2
121.08453	1.8
131.04922	2.3
143.03639	0.2
149.05977	0.5
166.08636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02376	0.6
51.66434	0.4
53.03950	3.7
55.01863	1.0
55.05510	6.0
57.03429	0.6
57.07084	5.3
59.04987	1.5
65.03935	2.2
67.00141	0.5
67.05507	29.1
69.03430	15.1
69.06718	0.6
69.07070	9.4
71.04981	1.0
71.08619	1.2
71.17282	1.1
77.03854	0.5
79.01841	2.0
79.05493	8.6
81.03421	30.9
81.07057	33.2
82.03719	0.5
83.04993	3.7
83.08624	2.2
85.06530	1.1
85.10186	0.9
91.05479	17.0
93.07037	7.3
95.04975	10.8
95.08609	47.9
96.08936	0.6
97.06536	0.6
101.00833	0.6
103.05465	1.5
105.04504	0.7
105.07027	9.9
107.04967	1.9
107.08592	10.6
108.05777	0.6
109.02887	0.8
109.06526	16.0
109.10157	41.3
110.07310	1.5
110.10491	0.6
111.08098	0.5
111.46300	0.4
117.07010	1.4
119.01941	3.5
119.04947	18.7
119.08585	14.8
120.08922	0.5
121.06518	1.6
121.10145	5.1
122.03653	0.6
122.07296	2.1
123.04433	1.5
123.08071	51.6
123.11709	20.1
124.08405	1.2
124.12082	0.5
125.02338	0.7
127.07555	0.9
132.05820	0.5
133.02878	2.0
133.06483	1.8
135.08038	0.8
135.11670	0.9
136.08836	0.5
137.03073	0.6
137.06001	4.1
137.09616	11.4
137.13245	4.6
142.03500	2.2
142.96703	0.5
143.03450	0.9
145.10175	0.9
147.04411	32.7
147.08083	2.5
147.11694	7.6
148.04723	0.7
150.10391	2.3
154.24133	0.5
160.04669	0.6
165.05461	3.1
165.09122	21.5
165.12756	100.0
165.16396	4.5
166.05008	3.3
166.13083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.00112	1.2
50.18163	1.2
53.03941	4.4
54.64849	1.1
55.01867	1.9
55.05503	3.8
57.03434	1.3
65.03929	2.9
67.05509	18.3
69.03409	5.6
69.07069	2.1
70.18179	5.5
71.04998	1.6
77.03927	1.6
79.05056	2.5
79.05495	34.5
81.03415	2.9
81.07059	100.0
82.07385	1.8
83.04967	1.5
91.05481	20.8
93.07069	7.4
94.04169	2.0
95.04962	9.7
95.08613	20.1
98.21018	2.9
101.00877	2.0
105.03407	1.5
105.07028	19.1
107.04935	1.7
107.08595	54.7
108.04498	1.3
109.06519	41.2
109.10139	6.0
110.81178	1.4
119.01929	6.5
119.04945	24.7
119.08575	13.7
121.10143	3.3
123.04433	2.4
123.08071	82.5
123.11703	8.0
125.02452	1.7
127.07558	39.8
133.02792	2.5
133.06494	3.6
137.03012	1.2
137.05951	8.4
137.09615	6.1
142.03468	4.9
147.04417	42.7
147.08080	3.2
147.11688	43.9
148.12154	1.3
160.04587	1.4
165.05537	5.8
165.09102	8.5
165.12762	99.8
166.05017	2.6
166.13034	2.0
176.30267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03945	4.7
53.94275	0.7
55.05510	4.4
56.36545	0.7
57.03431	1.2
57.07064	2.8
59.05001	2.3
65.03930	1.1
67.05508	12.4
69.03078	1.5
69.03429	20.9
69.07075	8.1
69.44954	6.2
79.05492	5.3
81.03423	17.8
81.07060	18.9
83.04971	3.1
91.05484	8.4
93.07054	3.9
95.04971	11.4
95.08605	16.4
97.06544	1.6
98.20757	1.7
98.21404	2.2
100.43563	0.9
101.00857	0.9
105.07026	8.6
107.08591	6.1
109.06521	14.4
109.10149	4.7
110.07296	1.5
119.01922	2.9
119.04944	6.7
119.08576	9.4
121.06470	0.8
121.10133	5.4
123.08075	18.5
123.11712	12.3
125.13905	0.7
137.02873	0.8
137.05934	2.3
137.09615	3.7
137.13269	1.9
142.03514	1.5
147.04407	14.0
147.11707	4.9
164.35344	0.8
165.05458	2.3
165.09074	2.8
165.12758	100.0
166.13060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03935	2.9
55.05506	7.1
57.03434	4.3
57.07066	6.1
59.04993	4.7
65.03940	4.4
67.05164	3.0
67.05508	39.5
69.03427	6.8
69.07080	12.9
71.57072	2.8
79.05497	19.0
81.03419	3.3
81.07062	41.5
83.04988	3.9
83.08621	4.4
91.05489	48.7
91.06062	2.6
93.03873	1.8
93.07042	13.0
95.04977	60.1
95.08611	36.3
97.06536	1.8
101.00887	4.1
103.05518	2.9
105.03479	2.0
105.07034	26.2
107.04968	3.8
107.08603	50.9
108.04466	2.9
108.05746	3.2
109.06527	33.5
109.10156	7.6
110.07294	2.6
117.07007	5.7
119.01926	15.6
119.04951	56.4
119.08591	50.3
119.09449	2.2
120.08103	3.6
121.06510	4.2
121.10152	9.2
123.04371	3.9
123.07190	2.4
123.08082	42.6
123.11706	33.2
129.06992	2.5
132.05714	4.9
133.02855	5.3
133.06519	2.9
135.11742	2.3
137.03033	3.8
137.05995	8.5
137.09618	9.5
137.13286	7.0
142.03505	12.3
147.04420	93.5
147.08067	26.7
147.11703	10.7
153.88080	1.8
160.04602	2.9
165.05486	6.5
165.09105	16.6
165.12769	100.0
166.08641	2.4
166.13094	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.01595	0.6
51.31535	0.5
52.98497	0.6
53.03946	2.0
54.57464	0.5
55.05506	2.4
55.50571	0.6
65.03931	1.6
67.05507	14.8
69.03437	0.6
69.07069	1.3
69.89037	2.3
69.89460	1.2
71.04990	0.9
79.05494	34.4
81.03416	0.8
81.07059	100.0
82.07400	1.6
83.05004	0.9
91.05477	7.9
93.07045	4.2
95.04974	4.6
95.08608	16.0
97.06507	0.6
98.20780	0.6
101.00854	0.9
103.43233	0.6
105.07033	12.6
107.08597	57.1
108.08955	0.8
109.06522	40.0
109.10172	2.3
119.01911	3.7
119.04946	5.8
119.08596	7.7
121.10175	1.8
123.08071	82.5
123.11708	5.5
124.08430	1.7
127.07558	40.8
127.34504	0.6
128.07872	0.8
137.06017	1.6
137.09619	2.0
142.03513	1.9
142.96739	0.9
147.04408	11.2
147.06215	0.6
147.11688	43.3
148.12019	0.7
160.04581	0.6
165.01883	0.7
165.05563	1.4
165.07079	1.1
165.09097	2.7
165.12759	87.6
166.13153	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	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.01602	1.2
53.03941	5.2
53.78456	1.0
55.01863	4.3
55.05510	10.1
57.03437	1.9
57.07058	2.7
65.03928	4.5
67.05168	2.0
67.05508	35.5
69.03435	13.6
69.07066	6.7
71.04995	2.5
71.57947	1.2
72.16978	1.2
77.03917	1.2
79.01855	2.6
79.05495	19.3
80.82703	1.2
81.03424	31.7
81.07054	33.8
83.04991	7.5
83.08622	1.9
83.91106	1.1
86.04644	1.0
91.05480	46.9
93.07063	9.3
94.04166	1.6
95.04972	16.0
95.08611	42.7
95.09227	2.2
96.77607	1.3
97.06494	1.6
98.84209	1.0
101.00858	2.2
103.05483	3.6
105.07033	35.1
107.04958	4.7
107.08606	12.6
109.02867	1.9
109.06531	14.9
109.10158	41.4
110.07288	1.4
114.67968	1.1
117.07014	2.2
119.01927	11.1
119.04948	52.0
119.08587	35.5
120.08121	2.1
121.06510	2.6
121.10146	5.8
122.03642	4.3
122.07281	13.4
123.04440	4.8
123.08076	62.9
123.11713	10.4
124.05154	1.3
126.96151	1.3
133.02846	6.5
133.04460	1.2
133.05562	1.9
133.06499	14.7
135.08047	1.4
136.08807	1.6
137.02969	3.4
137.04994	2.1
137.05984	27.1
137.09618	45.9
137.13234	6.8
138.05518	1.5
138.09126	1.5
142.03505	8.2
142.04404	1.3
142.96677	1.6
143.03462	1.6
147.04410	92.1
147.08029	6.2
147.11685	9.6
148.04756	1.5
153.02896	1.8
160.04532	2.3
165.05550	10.4
165.06912	3.1
165.09123	100.0
165.12769	63.8
166.04993	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	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03945	2.6
55.01872	4.8
62.63092	0.7
65.03939	1.7
67.05505	2.3
69.03428	1.7
69.59306	4.1
76.97971	0.7
77.03931	0.9
79.05492	19.7
80.99510	0.6
81.03435	1.4
81.07051	2.9
91.05483	21.9
93.01495	0.7
93.03408	1.1
93.07059	1.8
94.04177	2.5
95.04956	5.3
95.08617	1.4
98.20995	2.2
101.00890	2.7
103.05471	11.1
105.07031	100.0
106.07375	1.2
107.04945	1.6
107.08590	0.9
109.02870	0.9
109.06511	5.6
109.10178	1.4
115.05512	0.9
119.01926	9.9
119.04947	30.3
119.08585	7.6
120.05275	0.8
120.08183	0.8
121.06454	1.0
122.03634	6.1
123.04430	2.5
123.08061	3.2
124.03957	0.8
124.05244	3.6
133.02849	2.9
133.06493	78.2
134.06798	1.0
137.02965	2.7
137.05978	78.9
137.09592	2.7
138.06354	2.0
138.09091	1.0
142.03494	5.8
147.04413	62.4
147.08092	2.6
148.04752	1.5
150.06766	2.3
160.04520	2.3
165.05524	5.3
165.09109	23.7
166.05026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.13923	0.4
53.03938	1.1
55.01859	0.6
55.05520	2.8
65.03935	1.2
67.05506	19.0
69.03446	0.6
69.07062	1.0
79.05492	3.7
81.03414	0.9
81.07066	8.7
82.33366	0.4
83.04985	3.9
83.93018	0.5
85.24232	0.4
91.05479	11.6
93.07027	1.9
93.41862	0.4
94.06615	0.4
95.04968	3.3
95.08615	3.7
98.21209	0.5
101.00883	1.7
103.05451	1.1
105.07033	1.4
107.04938	2.7
107.08581	1.8
108.04493	0.9
109.06518	2.5
109.10162	20.8
117.07003	1.1
119.01123	0.8
119.01926	9.9
119.04953	8.6
119.08590	15.6
120.08105	1.3
120.68062	0.4
121.06487	1.5
122.07304	12.8
123.04410	0.9
123.08071	1.3
137.02979	4.3
137.05998	2.9
137.09622	45.6
138.09955	1.3
142.03511	7.9
142.96696	3.0
147.04419	19.3
147.08052	1.4
147.09154	0.7
147.11693	1.0
151.52444	0.5
160.04590	2.8
165.05325	2.3
165.09122	100.0
165.12697	2.3
165.98154	0.5
166.09479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03960	0.8
53.34444	0.3
55.05510	3.2
57.07063	0.3
60.04823	0.3
65.03940	0.6
66.76919	0.3
67.05505	20.9
69.03433	0.5
69.07072	0.7
69.49053	1.6
69.49462	0.8
79.05498	2.2
81.07057	6.8
83.04982	3.4
91.05479	7.3
93.07050	1.5
95.04958	1.6
95.08610	2.2
98.21589	0.4
103.05482	0.6
104.06262	0.4
105.07039	1.2
107.04949	2.8
107.08595	1.0
109.06528	2.1
109.10157	19.9
110.10482	0.3
117.07014	1.1
119.01919	1.3
119.04950	2.9
119.08580	14.8
120.08930	0.4
121.06505	1.2
121.43108	0.3
122.07288	13.3
123.08075	0.8
125.06024	0.4
137.05989	2.7
137.09616	46.1
138.09964	1.0
142.03520	0.7
142.96686	0.3
147.04434	3.2
147.08060	0.8
165.09113	100.0
166.09454	2.4
173.85783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.90612	0.2
53.01237	0.2
53.03955	0.2
54.62044	0.2
55.01859	0.7
55.05502	0.3
60.22865	0.2
64.24350	0.2
65.03941	1.6
67.05498	1.0
68.99786	0.3
69.03430	1.9
69.07028	0.2
70.05573	0.6
70.05967	0.4
79.05476	0.7
81.07053	0.9
91.05480	23.4
92.05803	0.3
93.07060	0.3
94.66828	0.2
95.04973	1.2
95.08595	0.5
98.20743	0.3
101.00890	0.7
105.07040	0.8
107.04936	0.3
108.96815	0.2
109.06518	0.7
109.10151	0.8
119.01939	3.6
119.04941	55.3
119.08561	1.4
120.05283	0.7
121.10162	0.2
123.04438	2.2
123.08092	0.6
124.02457	0.3
125.72783	0.2
133.02844	0.3
137.02950	0.9
137.05975	7.0
137.09560	1.2
137.76044	0.3
138.09142	0.6
142.03508	2.8
147.04407	100.0
148.04741	1.6
160.04565	0.7
165.05479	17.8
165.09120	2.1
165.12778	0.4
166.08618	0.4
181.94650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02378	0.4
51.65620	0.3
53.03941	0.6
55.05512	1.2
65.03934	1.9
67.05507	4.5
69.03418	0.7
69.07065	0.8
71.04990	0.4
71.56871	0.5
79.01854	0.9
79.05488	3.3
81.03423	1.1
81.07059	6.3
83.04983	0.8
87.19864	0.3
91.05482	31.4
93.07032	1.9
94.04186	0.3
95.01295	0.5
95.04978	4.0
95.08602	4.5
97.06516	0.4
100.67336	0.3
100.82021	0.4
101.00876	0.8
101.65420	0.4
103.05461	0.7
105.07029	4.1
107.04947	1.0
107.08606	2.7
109.06533	3.2
109.10159	4.3
117.06988	0.5
119.01991	2.1
119.04943	55.8
119.08578	5.8
120.05242	0.6
120.08116	0.4
121.06543	0.7
121.10139	1.2
122.07267	1.1
123.04449	2.0
123.08042	1.8
123.11701	1.1
133.02846	0.9
133.06548	0.7
137.03038	0.6
137.05983	2.8
137.09602	5.0
141.08838	0.4
142.03491	1.6
142.96718	0.4
143.03456	0.4
147.04410	100.0
147.08051	1.5
147.11702	2.4
148.04791	2.0
160.04512	0.5
165.01828	0.8
165.05547	3.8
165.06921	1.0
165.09105	10.1
165.12793	6.3
166.05011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.0
59.04994	0.3
69.03424	0.4
70.78593	0.9
73.02929	0.3
81.03432	0.5
82.01460	0.4
82.99818	2.5
91.05475	0.5
95.04985	1.3
97.02902	0.5
98.97601	1.4
100.02485	1.2
101.00886	35.4
102.00999	1.2
110.01305	0.4
110.97547	0.4
111.17224	0.3
115.02433	0.6
116.98612	0.4
118.03507	0.3
119.01926	100.0
119.04951	1.3
120.01971	2.4
121.02343	0.4
123.04482	1.8
124.02459	6.3
128.58282	0.3
133.03493	1.2
137.02962	20.5
138.03050	0.5
142.03506	69.6
143.01956	0.5
143.03671	1.8
147.04388	0.7
156.05046	0.5
160.04572	16.3
161.02971	0.4
161.04729	0.4
165.05151	1.2
181.49658	0.3
182.99649	0.3
183.06387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13039	0.4
58.99857	0.4
59.14948	0.4
69.58806	2.7
82.01450	0.6
82.99831	3.4
83.01472	0.5
98.21197	1.5
100.02487	1.4
101.00880	36.2
102.00948	0.9
118.03505	0.6
119.01920	100.0
120.01972	3.1
124.02434	5.8
125.88697	0.4
133.03462	1.7
137.02951	23.0
138.03082	0.7
142.03497	64.4
143.03586	2.2
147.04366	0.5
151.04474	0.4
156.05058	0.5
160.04556	14.7
161.04674	0.7
165.05081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	0.5
55.01887	0.6
55.05524	0.4
63.02382	0.3
65.03938	1.9
67.05507	1.7
69.03439	0.7
69.07082	0.3
70.82996	0.9
79.01867	0.3
79.05508	0.8
81.03421	0.5
81.07054	1.6
85.02918	0.4
88.35583	0.3
91.05485	27.5
92.05811	0.4
93.07082	0.5
95.04967	2.1
95.08616	0.5
96.00416	0.3
101.00874	3.6
103.05463	0.4
105.07020	0.8
107.04967	0.6
107.08589	0.3
107.19963	0.4
108.04473	0.7
109.06507	1.1
109.10138	0.9
117.07050	0.4
119.01932	16.3
119.04946	51.5
119.08562	1.7
120.05232	0.7
120.08115	0.3
121.00835	0.3
123.04452	2.3
123.08084	0.8
124.02459	0.7
133.02869	0.9
133.06517	0.4
137.02991	4.9
137.05975	2.1
137.09628	1.3
138.05518	0.4
142.03502	10.5
147.04413	100.0
147.11729	0.4
148.04813	1.7
160.04590	2.6
165.01772	1.1
165.05508	3.3
165.09105	1.8
165.12790	0.5
166.05038	0.4
180.90735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.4
53.03949	7.4
53.04181	1.0
55.01868	2.3
55.05511	11.5
55.11259	0.6
57.07076	2.1
65.03934	2.4
67.05508	12.7
67.05864	0.9
68.99789	1.2
69.03436	5.8
69.06715	1.3
69.07069	18.1
69.97934	3.3
71.04993	1.1
71.62794	0.7
77.03934	2.4
79.05494	45.0
80.05811	0.9
81.03439	1.8
81.07059	76.1
82.07422	0.9
83.08620	9.0
89.03918	12.1
91.05482	23.7
92.02637	2.0
93.03374	1.0
93.07046	66.8
94.07408	1.2
95.04973	10.7
95.08609	43.0
96.93747	0.6
97.02849	0.8
97.10155	0.8
98.20823	0.8
98.21368	1.2
103.05469	40.3
104.05783	0.7
105.03385	2.1
105.04507	3.3
105.07034	17.6
106.06573	0.8
107.04958	24.7
107.08597	100.0
108.08918	2.4
109.06521	5.0
109.10143	2.5
115.05478	3.6
117.03388	7.9
117.04135	1.0
117.07034	8.3
119.04961	1.0
119.06075	1.2
119.08571	8.1
120.05740	1.4
120.08076	0.7
121.06511	8.5
121.10146	39.1
127.07530	1.0
130.06496	1.6
130.07773	3.3
131.04933	42.4
132.08072	2.3
133.02856	9.4
133.06494	1.3
135.04427	26.8
135.08054	13.7
135.11700	16.1
143.08583	0.8
145.02892	5.4
145.06503	2.0
145.10126	23.1
148.05147	1.8
148.08821	2.0
149.02451	0.9
154.98344	0.7
163.03906	48.9
163.07552	23.2
163.11188	59.5
163.14822	64.7
164.11534	2.0
164.15131	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36223	0.4
54.41081	0.4
69.07885	0.4
69.42269	3.3
72.49152	0.4
75.38684	0.5
82.99845	2.5
100.02490	1.1
101.00885	32.5
102.01011	0.4
107.98020	0.4
119.01928	100.0
120.02000	1.6
124.02451	6.2
133.03490	0.7
137.02153	0.3
137.02963	21.0
142.03510	72.3
143.03670	1.3
156.04979	0.6
160.04568	18.9
165.05133	1.4
167.51096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	0.6
53.03948	3.2
54.25636	0.5
55.01875	4.9
55.05517	10.3
57.07081	4.3
65.03938	2.2
67.05505	7.9
69.03435	3.3
69.07069	22.1
71.15552	1.3
77.03929	1.1
79.05495	28.4
81.07060	36.8
83.08626	7.7
89.03905	6.1
90.85483	0.7
91.04609	0.7
91.05482	21.8
93.07050	57.4
94.07408	1.0
95.04984	8.3
95.08618	5.1
98.21114	0.8
103.05475	13.8
105.03403	1.2
105.04493	1.2
105.07034	26.7
106.07845	0.8
107.04961	6.3
107.08598	67.8
108.09447	3.3
109.06516	12.5
109.10161	2.3
115.05441	1.7
117.03383	4.3
117.07030	7.7
119.06081	0.9
119.07691	0.7
119.07944	0.4
119.08582	22.7
121.06522	5.3
121.10146	100.0
122.10497	2.6
123.08060	2.9
127.07556	9.2
130.07793	7.1
131.04936	14.9
133.02879	2.1
133.06490	1.8
133.07510	0.8
133.10118	1.3
135.04419	11.2
135.08066	5.4
135.11703	16.9
136.04773	0.7
143.08594	1.8
145.02855	2.9
145.10126	50.6
146.10455	1.0
148.08841	1.1
161.09653	1.0
163.03911	17.0
163.05220	1.1
163.07536	6.4
163.11192	65.3
163.14833	21.9
164.11624	1.7
164.15215	0.6
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
51.08978	0.9
53.03945	11.3
55.01851	1.1
55.05510	7.1
57.07087	1.9
67.05505	7.9
69.03425	0.9
69.07069	17.0
69.81777	4.8
71.08625	1.1
76.47910	0.8
77.03915	1.8
79.05491	33.9
81.07059	48.0
83.08619	7.7
89.03921	1.2
91.05486	12.3
92.02624	3.8
93.07048	44.4
94.07399	1.1
95.04970	14.8
95.08611	30.9
98.21004	2.5
103.05469	3.0
105.03410	8.2
105.04505	2.9
105.07034	7.5
106.06563	1.1
107.04985	5.8
107.08595	100.0
108.08917	1.2
109.06530	1.6
109.10166	1.3
115.05419	1.1
116.51333	1.0
117.03368	1.2
117.07066	1.7
119.06023	0.9
119.08585	2.0
121.06487	1.9
121.10143	32.5
122.10406	1.1
127.73914	0.9
130.06497	2.0
131.04922	2.7
132.08118	3.0
133.02867	24.6
133.10066	1.4
135.04419	27.8
135.08040	2.0
135.11700	12.1
138.03084	1.0
141.43799	0.8
145.06537	1.9
145.10153	2.4
163.03911	93.2
163.07533	6.3
163.11183	8.7
163.12474	1.9
163.14825	60.9
164.04233	2.3
164.07030	0.9
164.15213	1.4
176.31598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89696	0.9
53.03942	2.5
55.01865	4.3
55.05515	4.7
62.76243	1.0
64.15467	1.1
65.03940	1.7
67.05510	6.3
69.03417	3.7
69.07024	1.1
70.15429	4.0
77.03864	1.1
79.05061	1.6
79.05495	24.0
81.07063	34.4
89.03914	1.8
91.05477	10.8
93.07050	42.1
95.04958	6.6
95.08589	1.6
98.20926	2.1
98.21458	1.1
103.05472	21.0
105.04533	1.1
105.07037	17.1
107.04959	6.8
107.08601	17.8
109.06518	11.3
117.03389	2.4
117.07031	10.0
119.08588	21.6
121.06512	7.2
121.10152	40.2
121.11028	2.1
122.10481	1.0
127.07568	8.8
130.07787	7.0
131.04929	19.6
133.02878	1.3
133.06468	1.2
135.04436	5.5
135.08041	5.4
135.11722	6.2
143.08578	1.4
145.10135	62.1
146.10492	1.0
148.08855	1.9
163.03944	8.7
163.07579	8.2
163.11194	100.0
164.11612	1.6
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	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01870	0.9
55.05515	12.1
57.07074	5.1
65.03948	1.6
67.05518	3.8
68.99792	0.6
69.03441	2.8
69.07072	33.8
70.01758	2.2
72.05180	0.5
76.48973	0.6
77.03954	1.4
79.05499	20.4
79.05965	1.2
81.03459	0.9
81.07063	6.9
83.08627	11.8
84.51127	0.5
89.03917	4.3
91.05486	17.9
91.80624	0.5
92.06266	0.8
93.07049	35.4
94.07365	0.6
95.04954	5.1
95.08617	6.9
97.44254	0.6
98.20806	0.8
98.21365	1.2
103.05470	10.6
104.78535	0.6
105.03396	1.1
105.04546	1.4
105.07039	22.9
106.34259	0.6
107.04959	7.4
107.08600	90.2
108.08778	0.9
108.09386	2.6
109.06513	3.5
109.10152	4.3
115.05468	2.5
117.03402	2.1
117.07025	5.0
119.06131	1.4
119.08582	12.4
120.05762	1.2
121.06539	4.8
121.10149	100.0
122.10445	1.2
123.08055	2.0
130.06549	1.4
130.07762	1.3
131.04945	10.1
132.08067	0.9
133.02831	4.5
133.07611	1.3
133.10162	1.7
134.10921	1.9
135.04433	10.2
135.07098	1.1
135.08061	14.4
135.11696	25.6
145.02856	1.9
145.06474	1.7
145.10124	9.4
147.31456	0.5
148.05226	1.6
148.12457	0.6
163.03923	22.2
163.07555	9.9
163.08832	1.1
163.11201	23.4
163.14827	32.4
164.04370	0.9
164.15172	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01876	4.2
55.05514	6.3
57.03440	1.2
65.03937	1.7
67.05513	7.8
69.03434	5.6
69.07074	15.6
69.92109	2.6
77.03918	1.8
78.55421	0.7
79.05498	27.7
81.07062	28.0
83.04978	1.5
83.08613	6.1
89.03404	0.9
89.03919	11.4
91.05482	23.3
92.02646	1.1
93.07050	44.8
95.04967	9.3
95.08620	4.9
98.21172	2.1
103.05478	22.6
105.03407	1.5
105.04498	2.0
105.07038	22.6
107.04964	13.4
107.08601	60.2
108.09405	1.3
109.06526	10.8
109.10181	1.2
115.05453	3.1
117.03391	8.7
117.07019	10.4
118.24443	0.9
119.08594	19.9
121.06531	7.1
121.10149	70.0
123.08066	2.2
127.07556	7.9
128.06219	1.0
129.06952	0.8
130.06648	1.1
130.07782	6.4
131.04936	22.1
131.05939	1.2
132.05251	0.8
132.08084	1.1
133.02855	6.7
133.06508	2.0
133.07594	1.2
133.10159	1.6
135.04428	23.8
135.08063	9.2
135.11693	23.1
143.08572	2.5
145.02849	5.1
145.06491	3.2
145.10129	47.2
147.08083	2.0
148.08856	7.9
150.62772	0.7
163.03911	40.3
163.07544	10.8
163.11189	100.0
163.14816	15.2
164.11540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79094	1.1
53.03949	7.7
55.01873	7.5
55.05504	3.7
64.42535	1.3
65.03936	2.9
67.05512	9.2
69.03419	3.5
69.47945	8.2
77.03917	1.7
79.05060	1.9
79.05495	34.5
81.07056	45.9
82.63843	1.1
89.03913	5.1
91.04958	1.6
91.05481	17.6
92.02628	2.5
93.03381	1.6
93.07046	56.9
95.04970	15.7
95.08585	2.0
98.20858	3.6
98.21471	2.4
103.05463	8.0
105.03404	2.6
105.04518	2.7
105.07032	20.9
107.04961	8.9
107.08599	21.2
109.06523	15.2
117.03417	2.5
117.07016	11.9
119.08581	27.6
121.06520	7.0
121.10146	51.8
123.08083	2.1
127.07547	13.6
130.07787	10.3
131.04942	7.2
133.02847	14.4
133.06494	2.6
135.04422	23.0
135.08072	6.6
135.11717	7.2
143.08604	2.1
145.02837	2.8
145.06419	1.9
145.10124	72.0
146.10419	1.7
148.08881	1.6
163.03915	63.5
163.07541	11.3
163.11183	100.0
164.04242	1.8
164.11443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
53.03947	4.4
55.01881	7.4
55.05516	6.5
57.07066	5.2
63.30259	1.4
65.03907	1.5
67.05503	9.5
69.03427	3.9
69.07057	2.0
69.34608	9.8
79.05498	35.3
81.07064	52.0
82.07405	1.5
89.03912	4.9
89.06012	3.6
91.05501	17.2
93.07053	65.2
95.04970	12.2
95.08599	1.5
98.20914	4.8
98.21554	2.4
103.05484	9.4
105.07044	26.1
107.04971	8.5
107.08607	20.1
109.06523	16.6
117.03410	5.6
117.07024	13.6
119.04922	1.3
119.08593	31.1
121.06517	8.1
121.10155	55.9
122.10527	1.3
123.08097	2.0
125.93238	1.1
127.07565	15.2
128.06216	1.3
129.07002	2.0
130.07782	11.1
131.04948	12.0
133.02856	3.0
133.06509	2.9
135.04428	9.7
135.08072	9.4
135.11665	8.2
143.08606	2.4
145.02849	3.1
145.10133	87.4
147.08083	1.4
148.08829	2.9
152.07629	1.2
163.03915	18.6
163.07523	7.2
163.11194	100.0
164.11620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02380	0.9
53.03936	3.7
55.01879	4.7
55.05514	10.4
55.92780	0.8
57.07064	3.0
65.03934	2.1
67.05511	8.8
69.03421	3.0
69.06723	1.3
69.07073	22.2
69.55087	3.8
69.55506	2.1
79.05495	31.2
81.07060	38.4
82.07405	1.0
83.04971	1.0
83.08621	9.9
89.03919	7.3
89.96088	0.8
91.05479	19.8
93.03411	1.0
93.07050	60.7
95.04970	8.7
95.08613	5.6
103.05471	16.5
105.04486	1.6
105.07034	25.8
107.04961	6.4
107.08598	70.8
107.65037	1.0
108.09395	2.1
109.06523	13.5
109.10155	2.1
115.05446	1.3
116.06220	1.3
117.03384	3.7
117.07027	8.4
118.07363	0.8
119.06015	1.1
119.08580	23.3
120.46347	0.8
121.06537	6.5
121.10147	100.0
122.10445	1.3
123.08060	2.7
127.07558	11.5
130.07788	7.9
131.04936	13.0
133.02834	3.1
133.06512	2.6
133.07561	1.6
133.10065	2.2
134.10924	1.0
135.04424	14.8
135.08051	6.4
135.11700	22.6
138.36615	1.0
141.87802	0.9
143.08533	2.0
145.02843	2.6
145.06467	1.4
145.10129	55.8
147.08092	0.9
148.08871	2.8
163.03906	19.4
163.07538	8.6
163.11192	73.6
163.14838	20.7
164.11519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02383	0.5
53.00311	1.7
53.03951	4.2
55.01873	2.9
55.05507	1.3
57.03440	0.7
65.03940	1.1
67.05505	1.7
69.03438	1.9
69.07063	0.7
69.45852	2.5
70.39613	0.4
70.68423	0.4
72.10213	0.3
77.03941	1.6
79.05498	23.6
81.03409	0.7
81.07060	4.1
89.03922	3.6
91.05486	15.2
92.02627	0.4
92.06274	0.8
92.33563	0.4
93.03386	0.6
93.07051	9.2
95.04975	8.2
95.08611	1.3
98.21085	1.7
103.05473	31.9
104.05791	0.7
105.03419	0.7
105.04525	1.9
105.07037	28.9
106.07333	0.5
107.04959	100.0
107.08603	8.8
108.05283	1.8
109.06512	2.0
115.05462	13.7
116.06224	1.1
117.03395	2.3
117.07011	4.2
119.04901	0.5
119.08593	2.8
120.05738	5.4
121.06521	1.9
121.10145	4.9
127.07567	0.9
130.06593	0.5
130.07779	1.1
131.04935	17.5
132.08121	0.5
133.02850	2.6
133.06490	1.1
135.04428	7.9
135.08057	42.7
135.11699	1.4
136.08379	1.0
143.08598	0.4
145.02870	2.1
145.06520	0.8
145.07584	0.7
145.10136	8.0
148.05190	1.5
148.08839	0.4
163.03918	14.0
163.07547	28.2
163.11179	16.1
163.14835	2.8
164.08011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03939	4.5
55.01875	7.5
55.05516	5.4
62.18684	1.0
63.46340	1.1
65.03950	2.7
67.05504	11.2
69.03428	3.2
69.07064	1.9
69.52659	8.6
70.46552	1.1
77.03909	1.1
79.05496	35.5
80.83830	0.9
81.07063	64.2
82.90627	1.0
89.03931	6.0
90.91924	1.1
91.05492	18.9
93.03419	2.1
93.07049	68.0
95.04969	10.1
98.20855	2.1
98.21462	2.4
103.05476	7.3
105.07040	24.6
107.04962	3.9
107.07879	1.2
107.08598	23.3
109.06516	21.0
115.05445	1.4
116.37212	1.1
117.03368	3.4
117.07015	14.0
119.07784	2.0
119.08588	30.0
119.85872	1.1
121.06531	6.2
121.10149	65.3
123.08054	2.7
127.07555	16.8
129.07002	2.5
130.07796	10.7
131.04930	3.8
133.06483	3.4
135.04463	5.7
135.08069	8.1
135.11719	6.0
143.08566	4.0
145.10129	90.3
146.10460	1.9
148.08823	3.7
161.09520	2.0
163.03914	8.9
163.07495	2.7
163.11186	100.0
164.11505	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	163.0755
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.01586	0.6
51.02379	1.8
53.00302	1.5
53.03947	11.2
55.01868	3.1
55.05511	0.8
65.03944	1.3
66.70153	0.4
67.05510	1.4
68.99760	0.5
69.03423	1.2
69.07066	1.2
69.48435	1.1
69.48836	3.0
71.05006	0.6
71.64160	0.5
77.03922	2.5
79.05499	29.9
80.05817	0.5
81.03417	2.0
81.07072	3.7
89.03909	2.0
91.05486	16.0
92.02634	3.6
92.05784	0.9
93.07056	6.8
95.04973	20.6
95.08591	1.4
97.88625	0.5
98.21242	1.8
100.02485	0.6
103.05473	29.5
105.03417	5.6
105.04507	5.5
105.07037	26.7
105.07761	0.9
106.06543	0.6
107.04959	93.5
107.08590	8.8
108.04502	0.5
108.05293	1.9
109.06531	1.4
115.05466	11.9
116.06242	0.7
117.03432	1.0
117.07023	5.3
118.34127	0.6
119.04939	1.5
119.08588	2.1
120.02094	0.8
120.05731	5.0
121.06518	3.2
121.10135	3.8
130.06517	1.0
131.04938	16.6
131.05933	0.9
132.08041	1.1
133.02858	27.2
133.06516	1.2
135.04427	26.8
135.08060	44.5
135.11702	2.1
138.03108	0.9
145.02858	1.2
145.03951	0.7
145.06525	0.8
145.07574	1.1
145.10124	4.0
148.05141	0.7
163.03915	100.0
163.07544	26.9
163.11171	15.5
163.12314	1.3
163.14842	2.2
164.04286	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01606	0.3
51.02383	0.6
53.03945	1.6
55.01882	0.5
55.05513	0.9
59.20370	0.3
67.05509	0.8
69.03432	1.4
69.07077	0.8
71.04968	0.4
71.56540	0.3
74.16157	0.2
77.03933	0.9
79.05501	4.1
79.11504	0.3
81.03439	0.3
81.07064	3.2
83.04980	0.3
89.03912	2.7
91.05479	3.2
93.07047	7.3
95.04973	2.8
95.08627	0.5
103.05470	83.5
104.05808	1.3
105.03404	0.7
105.04502	0.6
105.07030	3.6
107.04959	4.7
107.08595	6.0
109.06505	1.0
115.05476	0.6
117.03384	2.5
117.07019	1.7
119.08601	3.1
120.05741	0.4
121.06480	2.0
121.10152	5.8
123.08087	0.4
127.07589	0.4
130.06541	0.5
130.07777	1.1
131.04932	100.0
132.05251	2.3
132.08090	0.4
133.02867	1.6
133.06511	0.5
135.04424	5.8
135.08037	2.9
135.11691	1.6
143.08604	0.4
145.02905	1.5
145.10132	7.0
148.05219	0.5
148.08832	0.6
163.03922	9.0
163.07545	47.7
163.11179	16.6
163.14810	1.7
164.07869	1.2
164.11615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.055
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03934	0.4
55.05529	0.2
55.53757	0.2
56.58436	0.2
58.06586	0.2
64.48627	0.2
68.99780	0.3
69.03435	0.2
69.93741	1.0
71.04981	0.3
74.06073	0.4
79.05482	0.9
84.04531	0.3
84.26263	0.2
85.02888	0.3
89.03906	1.5
94.06560	0.9
95.04932	0.4
98.21169	0.6
102.05539	0.7
103.05480	0.5
106.06571	0.4
106.07315	0.4
107.04931	0.3
107.08565	0.3
107.74569	0.2
116.04981	3.6
117.03375	0.6
118.06551	0.4
120.04482	2.7
120.06569	0.3
120.08944	0.2
120.96539	0.6
131.04913	0.4
133.02823	0.9
134.05995	0.7
135.04420	1.9
135.08084	0.3
139.01842	0.3
144.04451	0.7
144.06537	0.4
145.02818	0.4
162.05504	100.0
162.11269	0.9
163.03915	3.7
163.05884	1.8
163.07170	0.3
163.11150	0.2
175.51077	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	162.1126
Annotation	D-Carnitine
Peak:m/z	Relative Intensity
57.03426	1.0
58.06602	15.8
69.03411	0.6
70.06571	0.3
70.07092	0.8
70.07509	0.6
71.04965	0.3
71.72824	0.3
72.08141	0.9
73.02900	0.4
81.03397	0.3
88.07631	7.6
98.06135	0.3
98.09682	0.6
102.05525	0.5
109.32047	0.2
111.21657	0.3
116.35177	0.2
118.08642	0.6
126.09177	0.5
139.02342	0.3
139.22969	0.2
157.03560	0.5
162.11256	100.0
163.11623	1.6
177.94569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	0.4
55.05513	6.6
56.47476	0.3
61.77885	0.3
64.22144	0.3
65.03953	0.4
67.05505	0.4
69.07072	2.9
69.91068	0.6
69.91487	1.0
79.05489	2.6
81.07053	1.2
91.05483	7.9
93.07050	1.7
103.05463	1.8
104.06245	0.7
105.07031	19.6
106.07317	0.4
107.08619	1.6
115.05460	1.0
117.07006	2.8
118.04140	0.6
119.08583	100.0
120.08900	1.6
121.10140	3.9
131.08559	3.1
133.06573	1.6
133.10135	19.3
134.10365	0.4
138.35033	0.3
145.10100	0.3
146.10918	1.1
158.21323	0.3
159.11700	1.2
161.05966	1.2
161.09665	2.3
161.13264	24.5
162.13609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	1.9
55.05513	10.4
63.40944	0.5
65.03906	0.8
67.05507	4.7
69.03410	0.7
69.07070	10.1
69.45085	5.0
77.03919	0.8
79.05056	1.0
79.05500	13.1
81.07062	13.0
83.44638	0.6
89.03931	0.9
90.04715	0.8
91.05483	26.8
93.07054	10.3
95.04964	3.0
95.08618	1.7
98.21195	2.3
103.05489	8.6
104.06258	1.1
105.07037	100.0
106.07402	1.8
107.04955	1.0
107.08607	5.8
115.05457	9.0
116.04983	2.8
117.05744	0.7
117.07037	7.8
118.04170	10.1
118.06548	6.6
118.07813	1.3
119.08588	88.1
119.95770	0.6
120.08840	0.7
121.06539	0.7
121.10149	3.2
128.06267	1.8
131.04944	3.8
131.08577	8.2
132.05717	0.8
132.09373	1.1
133.06502	14.9
133.07436	1.1
133.10139	47.9
134.06000	0.8
134.10457	0.9
137.96750	0.6
143.06056	1.7
143.08559	3.2
144.04427	2.1
144.09424	0.7
145.10149	1.1
146.03665	3.4
146.07271	1.9
146.10918	2.4
159.11676	3.5
161.06004	24.5
161.07127	1.2
161.09644	17.2
161.13263	67.7
162.05455	2.9
162.13629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.92567	0.5
53.03936	1.1
55.05511	5.9
61.75186	0.5
65.03948	1.0
65.31467	0.5
67.05510	3.3
67.80835	0.5
69.07076	7.2
71.16823	0.9
75.33154	0.5
77.03935	0.6
79.05499	7.5
81.07057	16.0
91.05481	21.3
92.05828	0.6
93.07044	10.7
93.81029	0.5
95.04947	1.3
95.08630	2.6
103.05462	3.9
104.06242	0.6
105.07034	76.3
106.07311	1.1
107.08593	3.6
115.05444	2.0
115.09522	0.8
117.07024	5.2
118.04133	0.6
119.08583	100.0
119.66772	0.5
120.08845	1.1
121.10134	1.4
128.06219	0.5
131.08572	3.7
132.09338	1.0
133.06522	2.5
133.10135	36.0
134.10440	0.7
143.08542	1.0
145.10112	1.2
146.07243	1.3
146.10933	2.8
159.11699	2.2
161.05954	1.7
161.09648	8.4
161.13266	61.1
162.05446	0.6
162.13609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.17307	0.6
53.03941	2.9
53.04161	0.6
55.01877	4.2
55.05496	0.8
58.19062	0.6
58.99588	0.7
59.91662	0.7
66.04725	1.2
69.07071	0.8
70.47659	1.3
70.48022	1.4
72.18722	0.7
72.91492	0.6
75.86064	0.5
77.03891	0.6
79.05055	1.4
79.05493	18.6
81.07058	0.7
89.03887	0.8
90.04715	3.7
91.05486	8.1
92.02621	0.8
93.07061	0.9
95.04967	4.0
96.96279	0.7
97.02904	0.7
98.20949	0.9
102.04693	1.0
103.05473	24.0
104.87399	0.7
105.07036	100.0
106.07360	1.5
107.04971	1.3
108.18554	0.7
115.05463	24.5
118.04167	20.3
118.05025	0.9
119.08585	6.9
128.06223	1.2
131.04945	4.4
131.08583	1.1
132.05757	0.9
133.06500	48.8
133.10112	5.8
134.06825	0.8
143.04980	1.1
143.06039	4.6
143.08586	1.1
146.03609	1.4
146.07266	2.1
161.05980	14.2
161.07207	1.0
161.09641	9.4
161.13245	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02392	0.5
53.03948	2.1
55.01664	0.3
55.01884	4.6
55.05512	0.5
61.07159	0.3
65.03964	0.5
66.04723	1.1
67.05505	0.5
69.03422	0.4
69.07054	0.7
69.51513	0.7
69.51915	1.9
76.58378	0.3
77.03918	0.7
79.05496	18.1
81.03397	0.5
81.07066	0.5
89.03923	1.2
90.04707	3.4
91.05478	6.3
91.93586	0.3
92.02627	0.8
93.07056	0.5
95.04974	4.6
100.76880	0.3
102.04683	0.6
103.05473	25.4
105.07035	100.0
105.41285	0.3
106.06693	0.4
106.07337	2.1
107.04963	1.5
115.05460	27.3
116.05769	0.6
117.07029	1.5
118.04166	19.4
119.04928	0.3
119.08588	7.1
119.95721	0.3
121.06522	0.7
128.06244	1.3
131.04927	4.8
131.08557	0.8
132.05750	1.0
133.06497	45.5
133.10127	6.7
134.06842	0.6
143.04967	1.2
143.06062	4.5
143.08574	1.4
146.03583	1.7
146.07249	2.6
161.05983	13.2
161.07056	0.7
161.09618	12.9
161.13274	3.6
162.05508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
56.96558	0.5
57.03436	1.2
58.06597	14.8
58.54243	0.1
58.99866	0.3
60.95124	0.2
67.06341	0.2
69.03429	0.5
69.77534	0.5
69.77947	0.5
70.99859	0.4
71.04998	0.2
72.08156	2.4
72.31269	0.2
73.02912	0.5
73.22657	0.2
82.85719	0.2
82.99849	0.7
84.08147	0.9
85.01368	0.2
85.02866	0.4
88.07629	7.8
94.02629	0.2
96.23396	0.2
97.02885	0.2
98.06048	0.2
98.09679	0.8
98.20720	0.2
98.21305	0.4
98.97578	0.7
99.04433	0.3
100.07583	0.3
101.00877	11.4
102.00946	0.5
102.02377	0.2
103.00568	0.2
114.09140	0.2
115.02375	0.2
116.07072	0.3
116.98605	0.4
118.08668	0.2
119.01916	42.3
119.98782	0.9
120.02007	1.8
121.01619	0.4
121.97080	0.2
124.02401	0.2
126.09135	0.5
128.02310	0.2
128.98611	0.2
130.54135	0.2
131.01900	0.5
133.03426	0.6
137.02953	12.1
137.99834	1.0
138.03067	0.5
140.02243	0.2
141.03888	0.2
142.03513	0.9
143.00224	0.2
143.01901	2.9
143.03627	0.4
144.10179	0.7
146.36592	0.2
149.02837	0.3
151.04572	0.2
156.97496	0.8
157.02356	0.2
157.03471	1.0
160.04556	0.2
161.02960	6.8
161.04361	0.3
161.09241	0.5
162.11246	100.0
167.01863	0.2
174.98515	0.5
175.04495	0.3
179.02455	0.3
179.03947	1.7
179.99091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01865	0.3
55.05504	0.8
56.05038	0.2
56.96568	5.1
57.03424	0.6
57.07074	0.3
58.99855	0.3
59.04996	0.4
59.93119	0.2
60.04559	0.2
60.95858	0.3
61.02935	0.3
61.92855	0.2
65.03923	0.3
67.05503	1.0
69.03439	2.2
69.07078	0.3
70.00274	0.9
70.03784	0.2
71.05022	0.3
71.95265	0.6
72.08164	0.6
73.02912	0.8
74.06049	0.2
74.97604	0.3
77.00914	0.3
78.93109	0.4
79.05518	1.1
80.53108	0.2
81.03399	0.5
81.07066	0.5
82.99857	0.8
83.04978	0.3
84.08119	0.4
85.02901	1.5
85.06562	0.2
91.00539	0.2
91.05474	1.3
93.07065	0.5
95.04989	0.3
97.02878	2.4
98.03173	0.5
98.97590	3.9
99.04467	0.2
100.97200	0.5
100.97950	0.3
101.00881	12.8
101.06024	0.3
101.95036	7.0
102.00964	0.7
102.02479	0.3
102.05543	0.4
102.96875	0.9
103.02377	0.3
103.05481	0.6
105.03378	0.3
105.07043	4.2
109.02906	0.3
112.07613	1.2
113.02380	0.6
115.00715	0.3
115.03912	0.5
115.05460	1.2
115.09499	0.5
116.98640	3.4
117.01952	0.2
117.07046	0.6
118.01047	0.2
118.03487	0.4
118.04224	0.3
118.98211	0.7
119.01926	100.0
119.08577	1.6
119.96085	3.3
119.96864	0.3
119.98251	0.3
120.02005	4.1
120.96564	0.5
120.97923	1.3
121.01623	0.7
121.06548	0.4
122.03049	0.2
125.02393	0.3
127.05955	0.2
128.06219	0.4
128.98607	0.2
129.03867	0.2
130.75856	0.2
131.01868	0.4
131.04930	0.4
133.01683	0.4
133.03479	2.0
133.06508	1.5
133.07381	0.3
133.10135	1.9
134.99661	2.4
137.02963	45.6
137.97121	3.8
138.03058	2.1
138.98932	0.9
139.03410	0.4
140.00119	0.3
140.02296	0.2
141.07082	1.1
142.03514	3.6
143.01923	1.2
143.03621	1.8
143.08560	0.4
144.03218	0.3
145.01736	0.3
146.03558	0.2
146.07265	0.7
146.99667	0.3
147.05023	0.6
150.07613	0.6
151.04526	0.8
153.00694	0.3
155.98161	0.8
157.03510	0.4
158.06606	0.7
158.99690	0.8
159.03325	0.4
160.04591	1.0
160.56657	0.4
161.02959	5.6
161.04607	1.5
161.05975	1.4
161.07224	1.1
161.09610	3.5
161.10867	0.3
161.13194	1.4
162.05519	0.8
162.11250	0.8
163.02751	0.6
176.07739	0.4
177.00714	0.9
177.04347	0.5
179.04012	5.8
184.04565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.60376	0.4
53.03959	0.5
65.03942	0.7
67.05499	3.2
71.57120	0.6
76.93373	4.4
79.05500	1.4
79.51765	0.4
81.07059	1.4
83.68981	0.4
88.50385	0.4
91.05479	16.8
93.07037	0.5
94.94420	1.1
95.04946	0.4
96.04498	0.5
103.05486	1.8
103.53437	0.4
105.07027	18.6
113.02365	1.5
114.09141	2.3
115.05438	5.7
116.06242	3.2
117.07018	28.9
117.95965	5.1
118.06502	0.6
118.96758	0.6
119.08578	9.7
128.06238	1.4
129.07001	17.2
130.07796	15.0
131.04912	1.2
131.08563	63.4
132.08911	1.3
135.97011	2.3
141.01819	4.9
141.06993	1.3
142.07771	1.7
143.08537	1.4
144.05704	2.2
144.09343	22.1
145.09645	0.5
157.10129	4.4
158.98627	0.7
159.04388	0.8
159.08089	11.8
159.11684	100.0
160.09698	0.9
160.12035	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69744	0.2
58.99855	0.2
59.65088	0.2
60.00658	0.2
69.94251	0.9
79.24274	0.2
82.99838	1.6
98.21265	0.5
100.02476	0.3
100.97202	0.2
101.00883	26.0
102.00951	1.2
113.96370	0.2
115.02501	0.2
115.97033	0.2
118.03526	0.2
119.01924	100.0
120.01998	4.2
121.01598	0.2
121.02366	0.3
124.02444	0.3
133.03491	1.0
133.98077	0.7
135.49284	0.2
136.48373	0.4
137.02959	29.1
138.03047	1.1
139.03419	0.2
142.03479	1.4
143.03616	1.5
144.03221	0.2
145.48851	1.0
150.10388	0.2
151.04524	0.4
159.63814	0.2
160.04510	0.3
161.02971	4.1
161.04645	0.6
167.75914	0.2
169.36169	0.2
179.04019	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.54581	0.3
53.31495	0.4
67.05508	3.0
76.93374	2.8
79.05480	0.9
81.07016	0.5
83.75670	0.4
91.05479	8.4
94.94387	0.8
98.20909	2.0
98.21597	0.7
103.05449	1.0
105.07035	18.6
113.02336	1.2
114.09187	2.1
115.05459	2.8
116.06255	2.3
117.07021	19.8
117.95990	2.6
119.08593	8.5
128.06201	1.7
129.07013	12.9
130.07803	6.3
131.08575	33.2
132.08897	0.6
135.26422	0.5
135.97009	1.5
138.62317	0.6
141.01825	2.9
142.07768	1.9
143.08540	1.4
144.05704	0.6
144.09349	23.5
157.10136	4.4
159.08081	20.8
159.11694	100.0
160.09589	0.8
160.12044	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
58.04146	0.3
67.05505	2.7
70.82034	0.3
70.82391	0.8
72.07852	0.3
72.30661	0.3
76.93347	0.9
79.05464	0.9
81.07061	0.5
91.04967	0.5
91.05486	6.0
93.07030	0.3
103.05440	0.6
105.07035	24.7
113.02371	0.4
114.09126	0.8
115.05445	2.7
116.06235	0.7
117.07021	16.6
117.95990	1.1
118.07369	0.3
119.07785	0.6
119.08584	7.7
128.06195	1.5
129.07007	13.1
130.07797	6.8
131.08571	35.0
132.08885	0.7
135.97023	0.5
141.01820	1.0
142.07791	2.1
143.08594	2.0
144.09348	24.8
145.09686	0.4
154.75734	0.3
157.10147	5.1
158.10495	0.4
159.11694	100.0
160.12036	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03994	0.5
54.73925	0.5
55.01877	0.6
55.05511	0.7
56.96576	4.6
57.03455	0.9
59.93123	2.0
67.05519	0.9
70.07392	2.4
71.01342	0.7
71.04996	0.6
71.95274	1.0
72.04501	0.6
73.95701	1.4
76.93366	4.8
81.07029	0.7
91.05486	2.5
91.96747	0.5
94.94408	1.7
98.20869	0.8
98.21404	1.0
98.97588	10.1
99.04479	0.8
103.05475	1.2
105.07050	2.5
109.51158	0.5
113.02364	3.3
113.06035	1.0
114.09163	2.0
114.98388	0.6
115.05460	20.4
116.05018	0.6
116.97276	1.0
116.98624	12.2
117.05770	14.2
117.07042	1.1
117.95995	3.8
117.98988	0.9
118.06560	3.6
118.96764	3.9
119.01949	1.2
130.06535	29.7
131.04924	1.6
131.06886	2.2
131.08537	2.9
132.08098	100.0
133.08435	1.4
134.99664	8.8
135.95677	0.8
135.97003	2.0
140.04950	1.3
141.01852	9.1
142.06525	28.7
143.07256	1.2
144.05772	0.9
153.00720	1.8
153.96706	2.4
154.96475	1.5
158.08408	1.5
159.08192	3.6
159.09183	86.8
159.11713	3.2
160.06470	0.6
160.07588	16.0
160.09566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	Vanillyl alcohol
Peak:m/z	Relative Intensity
52.75961	0.5
53.03950	0.9
53.36038	0.5
54.35038	0.5
55.77576	0.6
58.67527	0.6
65.03944	0.9
66.04722	0.6
67.05508	1.5
69.03429	2.6
71.18994	1.6
72.93793	10.4
79.05493	7.3
81.07063	17.5
90.94834	2.1
91.05486	3.8
94.04194	0.9
95.04966	1.0
107.04963	1.5
109.05780	1.3
109.06528	24.9
113.96395	6.6
119.04919	0.6
131.97423	3.2
137.05984	96.4
138.06279	2.1
138.49290	0.5
140.04694	7.7
142.22195	0.5
150.96825	0.7
155.07039	100.0
156.07339	2.0
162.71571	0.5
169.46301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33656	0.2
55.01866	0.8
55.05526	0.3
55.46377	0.2
56.96574	2.3
57.03439	0.9
58.99869	0.9
61.02929	0.3
67.05491	0.5
68.05029	0.3
69.03426	0.8
70.06599	0.8
70.95866	2.0
70.99878	0.4
71.01736	0.6
71.02075	0.2
71.02993	0.3
71.04954	0.3
72.93802	2.0
73.02946	0.6
75.01077	0.3
77.00893	0.5
78.52962	0.7
81.03411	0.8
82.01405	1.2
82.06557	0.3
82.99825	1.8
83.01528	0.2
83.06101	1.2
84.01559	0.6
84.08138	0.3
84.12786	0.2
85.01415	0.3
85.02904	0.5
86.06091	0.4
88.96941	0.4
90.94831	0.5
91.03856	0.2
92.01328	0.3
92.52734	0.5
93.04548	0.7
95.01329	0.4
95.06081	0.6
96.01550	0.3
96.04501	0.3
97.02897	0.2
98.97586	0.3
100.02485	4.3
101.00887	26.5
101.02553	1.9
102.00893	1.1
102.02270	0.6
103.00594	0.4
103.02448	1.5
105.02151	0.3
109.02880	0.4
110.02115	0.3
110.06033	0.7
110.07171	11.0
110.09687	1.6
111.02122	0.3
111.05552	0.2
111.98488	0.9
113.00867	0.5
114.01048	0.6
114.04057	0.6
115.00613	0.8
115.02435	1.4
115.04076	0.2
116.03845	0.3
118.03535	1.5
119.01927	100.0
120.02000	4.6
120.03259	0.3
121.01665	0.7
121.03497	0.5
124.02467	3.8
124.27836	0.3
127.03934	0.3
128.07065	0.3
129.99576	0.4
131.00232	0.4
131.01892	1.8
132.02013	4.9
132.05072	1.1
132.95828	2.4
133.01672	3.8
133.03467	8.9
134.02338	0.3
134.03596	0.6
137.02963	28.2
138.03116	0.8
138.05510	0.7
138.09120	0.3
142.03506	44.6
143.01904	0.3
143.03622	1.5
144.03252	0.3
145.03474	0.3
146.99635	0.3
147.04893	0.3
149.01251	0.5
149.02971	0.2
149.97183	0.6
150.03093	0.8
150.06154	0.4
150.96866	4.1
151.02701	0.9
151.04523	2.9
156.03185	0.7
156.05106	1.7
156.06458	0.5
156.07686	0.8
156.10204	1.5
156.13820	0.5
157.03471	0.5
159.05061	0.3
160.04564	12.3
161.02954	0.4
161.04814	0.5
165.05132	1.5
173.98656	0.3
174.03049	1.1
174.06158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0702
Annotation	Vanillyl alcohol
Peak:m/z	Relative Intensity
53.03928	0.8
55.01846	0.5
55.05500	1.3
67.05479	2.0
69.03413	2.3
70.48167	1.3
70.48558	1.2
70.95847	1.0
72.93788	31.7
79.05492	8.0
81.07057	17.1
83.04990	1.2
90.94829	5.1
91.05486	4.0
92.49484	0.6
94.04198	0.6
95.04962	1.4
95.08624	0.9
95.56750	0.5
98.20918	0.9
98.21428	0.6
98.98413	0.7
99.04437	0.7
107.04967	1.0
109.06520	21.0
109.10204	0.6
111.04448	1.0
113.96397	16.3
123.04382	1.1
127.07503	0.8
129.99509	0.5
131.96318	1.0
131.97437	9.2
132.95850	1.0
137.05977	96.7
138.06334	1.4
139.03871	0.9
140.04686	8.2
149.97221	1.1
150.96910	1.2
153.79051	0.6
154.99052	1.2
155.07031	100.0
156.07405	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	155.0703
Annotation	Vanillyl alcohol
Peak:m/z	Relative Intensity
53.03942	0.8
55.01860	0.5
62.06052	0.4
65.03944	0.7
67.05502	0.9
69.03431	1.8
72.93793	7.5
79.05492	7.5
81.07059	17.7
83.01355	0.6
90.94825	1.0
91.05486	4.6
94.04202	0.7
95.04947	0.6
98.20792	1.2
98.21478	1.4
107.04974	0.6
109.06520	25.2
111.04474	0.7
113.96411	3.9
119.04954	0.5
122.96152	0.4
123.04498	0.5
131.97461	1.3
137.05981	100.0
138.06329	1.9
139.03906	1.1
140.04684	6.9
155.07036	98.9
156.07404	1.7
160.85968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	3,5-Dimethoxyphenol
Peak:m/z	Relative Intensity
53.03936	1.2
55.01863	0.8
65.03949	0.7
66.04713	0.4
67.05508	7.1
68.99783	0.4
69.90645	0.9
69.91064	1.1
70.95844	0.4
71.51588	0.3
72.93797	8.5
77.03920	0.5
79.05501	3.5
81.03420	0.6
81.07061	2.0
83.01330	0.9
85.02905	0.5
90.94831	1.8
94.04188	1.3
95.04366	0.5
95.04974	10.1
95.49200	0.3
98.20864	0.8
98.98476	0.6
99.98892	0.3
104.00397	0.4
105.03387	2.1
109.06532	9.9
110.03656	0.4
111.04448	2.7
112.05231	6.0
113.06011	0.5
113.96397	5.8
122.03638	0.4
123.04438	38.9
124.04741	0.7
127.03904	0.4
127.07542	0.7
131.96144	0.5
131.97447	2.6
132.11017	0.4
137.05981	20.6
139.03906	0.5
140.04697	9.1
141.05479	0.6
149.97218	0.4
150.96907	0.7
153.05484	0.6
155.07039	100.0
156.07460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	Vanillyl alcohol
Peak:m/z	Relative Intensity
55.01891	1.3
55.05503	1.3
55.56815	1.0
64.35500	0.9
67.05492	2.9
67.90942	0.8
69.03423	2.0
69.54700	2.7
69.55121	4.0
69.96167	1.3
70.95869	7.9
72.93791	82.3
76.63976	1.0
79.05486	6.9
81.07063	21.2
83.04987	1.2
88.96902	2.4
90.94828	24.5
91.05470	3.9
91.21714	0.9
94.04203	1.0
95.04963	1.1
97.87187	0.9
98.21294	3.3
98.98467	2.1
99.04474	1.3
99.54105	1.0
107.04917	1.3
108.95848	6.5
109.06525	21.7
111.04461	0.9
111.98465	3.5
113.06055	1.3
113.96407	46.2
129.99538	1.9
131.96350	1.4
131.97438	34.2
132.95828	8.2
137.05980	98.6
138.06340	1.1
140.04710	6.9
149.97191	3.0
150.96887	16.7
154.56792	1.0
154.99028	9.0
155.03497	2.2
155.07037	100.0
155.97438	1.7
156.07240	1.0
157.75584	0.9
173.98555	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	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01854	2.9
55.05513	5.2
55.93517	1.4
56.96564	7.4
57.03420	2.8
58.99853	4.2
65.03927	1.8
67.05502	4.6
68.05020	1.6
68.99778	1.3
69.03422	3.3
69.96188	6.4
70.06597	4.7
70.56198	3.0
70.95862	2.8
70.99862	1.0
71.01345	1.0
71.04990	2.2
71.94104	2.2
72.08143	2.2
72.93795	16.3
73.02909	3.7
77.00887	2.7
79.05478	1.5
81.03419	6.7
81.07050	3.9
82.01429	4.9
82.06561	1.5
83.04984	7.2
83.06097	2.2
84.01527	1.0
85.02901	2.6
85.06567	1.0
86.06076	7.4
89.00882	1.3
90.94848	5.2
95.01288	1.4
95.04986	4.4
95.08572	1.0
96.04479	8.0
97.02870	1.1
98.21294	1.6
98.97533	1.3
98.98459	2.3
99.04476	4.7
100.02485	24.8
101.00883	16.2
103.02450	2.1
109.02882	5.6
109.06506	3.3
109.10144	2.4
110.06046	1.1
110.07182	11.0
110.09676	1.8
111.04455	7.3
113.00874	16.3
113.02345	1.1
113.06010	6.4
113.96419	9.1
114.00983	1.0
114.04029	2.7
115.02421	2.3
116.98613	1.8
118.01158	0.9
118.03523	13.9
119.01924	61.7
121.03506	2.3
124.02532	1.2
127.03949	7.9
127.07533	3.4
128.03386	1.8
129.03966	1.2
129.05482	1.9
131.01913	100.0
131.96140	14.4
131.97411	6.0
132.01945	7.7
132.05052	5.9
132.95845	4.8
133.01663	1.2
133.03445	6.9
136.93111	2.0
137.00734	1.2
137.02293	11.5
137.03043	7.1
137.05991	7.8
137.10751	2.3
138.09152	9.4
140.04636	1.2
142.03508	14.6
145.03452	4.4
149.02971	21.1
149.97212	25.4
150.03096	2.1
150.06090	2.7
150.96910	6.2
151.04482	1.6
154.03513	2.4
154.94144	1.9
155.01913	10.1
155.03441	7.6
155.05400	1.8
155.07039	19.8
155.08160	1.2
156.03040	2.1
160.04578	3.0
167.98277	1.3
172.95271	5.1
172.98801	1.1
173.02982	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	155.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.9
57.03421	0.9
58.99871	3.7
62.07526	0.5
68.04211	0.5
69.03426	1.0
70.06561	0.9
70.77238	1.3
70.99847	1.5
73.02926	1.3
75.78499	0.5
77.00911	1.5
78.32552	0.5
81.03429	0.6
83.06062	0.7
85.01414	0.8
86.06061	0.9
91.58992	0.5
93.01865	0.5
93.04538	0.9
94.99834	0.7
95.06079	0.6
96.04480	0.8
97.02911	0.8
98.21115	0.7
98.97584	1.3
101.00880	11.7
103.02432	1.9
105.00362	1.2
110.01359	0.6
110.07162	8.2
111.90152	0.5
113.00864	20.1
113.80022	0.6
114.00990	1.4
115.02427	1.2
119.01920	29.5
119.51897	0.5
120.01975	1.2
121.03463	0.8
121.54619	0.5
131.01906	100.0
131.96162	1.5
132.01909	6.5
132.05078	1.2
133.01627	0.9
133.03438	4.3
137.02980	2.6
138.09125	1.2
142.03535	1.4
145.03456	3.1
149.02945	16.5
149.97214	1.0
150.03014	1.0
152.89548	0.6
154.03513	1.2
155.01888	10.4
155.03197	0.7
155.03680	0.8
156.07648	0.8
161.02956	0.9
173.02953	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	155.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26972	0.8
53.03947	2.5
55.01873	1.7
55.05514	4.9
55.94632	1.0
56.66057	0.9
56.96566	6.2
57.03432	3.7
57.32681	0.9
58.99865	4.2
61.02936	1.1
65.03954	1.9
67.05508	4.6
67.18038	0.7
67.62010	0.8
68.05038	2.2
69.03444	4.2
69.96193	4.5
70.06601	7.3
70.49517	2.1
70.49918	1.6
70.95871	2.2
70.99848	2.0
71.01354	1.7
71.04993	1.9
71.94098	1.9
72.08145	3.6
72.93794	16.7
73.01421	0.9
73.02902	2.7
77.00900	2.6
77.77711	1.0
78.65467	0.9
79.05492	1.9
81.03419	6.3
81.07053	3.3
82.01440	4.4
82.05316	1.1
83.05000	7.5
83.06094	3.9
84.04521	1.7
85.02896	2.4
86.06066	9.3
88.02670	1.2
89.00876	1.4
90.94836	5.1
93.04517	2.1
95.01336	1.5
95.04961	3.3
95.06099	2.7
95.08604	1.3
96.04504	11.2
97.02874	1.2
98.97575	1.9
98.98449	1.4
99.04456	3.7
100.02487	24.6
101.00890	16.1
103.02460	2.6
109.02899	6.1
109.06531	4.3
109.10155	2.6
110.07177	36.4
110.09698	2.5
111.04447	6.3
113.00871	15.8
113.06017	5.1
113.96423	8.3
114.04041	1.5
115.02412	1.7
118.03530	13.1
119.01927	58.8
120.02064	1.4
122.53712	1.3
123.04445	0.8
124.02492	2.1
127.03938	7.2
127.07542	2.3
127.10459	1.1
127.51009	0.9
128.03462	2.2
129.54514	0.9
131.01912	100.0
131.96136	7.9
131.97449	4.7
132.01967	11.5
132.05072	5.3
132.95857	4.2
133.01695	1.5
133.03493	6.2
137.02277	8.7
137.03015	9.7
137.06003	7.0
137.10727	3.1
138.09148	12.0
140.04630	2.3
142.03497	15.1
145.03488	4.1
147.04993	1.0
149.02957	23.8
149.97212	13.6
150.03041	1.8
150.06033	2.0
150.96904	6.6
151.04488	1.3
154.03488	2.5
154.94203	1.3
155.01912	11.4
155.03438	7.8
155.05377	1.8
155.07048	21.2
155.08156	1.3
155.10657	1.0
155.11815	2.6
156.02953	3.2
156.07695	2.8
160.04527	2.9
172.95235	2.6
172.98891	1.2
173.02965	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.8
51.02387	5.1
53.00302	0.6
53.03949	0.8
55.01865	1.5
55.05520	3.5
59.04988	1.6
65.03941	1.1
67.05496	2.4
68.99788	0.8
69.03447	2.7
69.03757	0.5
69.07072	5.9
70.03994	2.0
71.05001	8.1
73.06560	5.2
79.01860	50.9
79.05502	6.7
80.02191	0.6
81.07060	23.5
83.05001	0.7
87.00820	0.6
89.59789	0.6
91.05493	2.5
93.07052	10.0
95.01299	0.8
95.04975	17.3
95.08623	1.8
97.02901	9.7
97.06544	1.9
98.21066	1.2
103.41548	0.5
105.07040	1.1
107.01326	13.0
107.08599	9.3
109.06492	0.8
109.10153	1.5
111.04509	0.7
111.08092	1.6
121.06502	0.6
123.00780	1.4
123.02759	0.5
125.02364	17.7
126.66372	0.6
135.08061	0.6
135.11714	5.8
143.03407	37.7
151.89339	0.5
153.01851	100.0
153.02983	19.2
153.09093	1.5
153.12796	2.3
154.02162	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05513	4.7
55.51474	0.2
56.05030	0.5
56.84307	0.2
65.47343	0.3
67.05491	0.7
68.05032	0.3
69.03426	0.7
69.07069	0.5
70.06584	1.2
70.56070	0.9
70.94266	0.3
71.04994	0.3
71.94087	0.5
72.93789	2.7
79.01845	0.3
79.05513	1.5
80.02193	0.8
80.05028	0.4
81.07066	7.3
82.06598	1.3
83.07363	0.7
83.08604	1.0
90.94817	0.5
91.05476	1.0
93.05780	0.5
93.43365	0.2
94.07402	0.3
95.04976	0.7
96.04517	0.6
96.08119	0.3
97.05286	3.3
98.06055	2.2
98.09718	1.8
98.20919	0.4
102.22578	0.3
108.08132	2.6
109.06524	5.0
109.10137	0.3
110.06053	4.2
111.06837	3.6
112.96761	0.2
113.10455	0.2
113.96416	1.3
124.07603	0.5
125.08377	1.0
126.09152	3.0
130.96341	0.4
131.97420	0.8
136.07573	0.5
138.05510	0.8
139.06293	5.2
139.07382	0.5
143.28371	0.3
144.03752	0.9
148.97362	0.5
151.82918	0.3
152.07074	0.3
154.02223	2.7
154.08638	100.0
155.05409	0.3
155.07098	0.4
155.08978	1.7
172.69499	0.3
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
51.02393	1.6
53.00305	1.8
53.03948	2.6
55.05511	14.5
57.07074	1.9
59.05010	8.4
60.37777	1.2
65.03954	2.6
67.05508	6.7
69.07063	10.7
69.41000	12.5
71.04995	33.4
73.06559	19.3
79.01858	14.8
79.05492	26.8
81.07059	100.0
83.04998	1.7
91.05478	7.3
92.77984	1.3
93.07047	38.7
95.04942	2.9
95.08602	7.9
97.02914	2.7
97.06538	6.4
98.20770	3.0
105.07047	3.8
107.01313	2.4
107.08598	35.1
109.10167	5.4
111.08080	6.1
119.08557	2.0
125.02315	6.6
135.11699	27.0
143.03410	15.9
153.01843	34.6
153.02991	5.9
153.12781	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	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
53.03942	1.1
55.01866	2.2
55.05523	0.6
55.93495	0.5
58.31536	0.4
65.03941	5.9
67.05508	35.2
68.05831	0.6
68.99792	22.8
69.03423	1.5
69.80615	2.8
70.94258	4.4
70.95860	3.1
79.05492	3.4
81.03417	1.0
81.07060	1.9
83.01357	0.8
83.04985	1.3
88.95282	1.0
88.96925	1.1
93.07018	1.3
95.04971	35.8
97.02875	0.6
97.06516	2.2
98.21072	1.3
107.04952	1.3
107.08584	1.3
109.06480	0.6
109.10162	0.5
110.03638	1.5
111.04440	2.8
111.08093	0.6
111.96867	2.6
123.04430	18.2
124.04760	0.6
125.06001	5.2
129.97894	2.2
135.04474	0.6
135.11644	0.6
139.03902	7.7
141.05470	24.6
142.05788	0.7
151.05035	0.8
153.01924	4.9
153.05467	100.0
153.12781	0.7
154.05823	1.9
160.45387	0.4
173.61211	0.6
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	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
53.03929	1.5
55.01855	1.6
55.05510	10.4
57.03439	5.7
57.07062	2.4
59.04989	1.1
65.03955	4.5
67.01833	1.0
67.05505	30.3
68.57446	0.8
68.99781	1.0
69.03423	3.8
69.07067	48.4
70.94266	5.4
70.95868	2.4
71.04977	2.6
71.94092	3.6
79.01839	1.4
79.05495	27.5
81.07057	33.8
83.04990	5.9
83.08641	5.5
84.18086	0.8
85.06525	1.0
88.95275	1.8
91.05489	5.2
93.03394	2.2
93.07045	43.6
95.04961	2.7
95.08612	17.6
95.67390	0.8
97.02807	0.8
97.06532	21.6
98.20596	1.5
98.21275	5.8
105.07035	1.3
107.04930	1.4
107.08596	48.8
108.08916	1.5
109.10157	33.6
110.03646	1.1
111.04473	7.1
111.08082	5.9
111.11700	0.9
111.96889	2.8
112.96728	1.3
125.06001	4.8
126.06358	1.0
129.97868	1.4
135.04385	1.0
135.11693	100.0
136.12047	2.4
138.04900	0.8
147.03186	0.9
153.01842	10.2
153.05470	9.6
153.06590	1.5
153.07306	3.1
153.09172	1.8
153.12747	81.0
154.04991	1.3
154.13069	1.8
154.15906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.2
51.02382	5.7
51.11101	0.3
52.91269	0.3
53.88307	0.3
55.01874	1.2
65.03957	0.4
65.04541	0.3
67.05516	0.4
68.99799	0.7
69.03429	2.1
70.63037	0.5
70.63404	1.2
70.94260	0.7
71.04996	0.6
79.01860	49.5
79.05514	0.7
80.02220	0.5
81.07063	1.2
83.04973	0.4
83.56956	0.3
87.00847	0.9
93.07062	1.3
95.01328	0.4
95.04945	0.5
95.08622	0.9
97.02902	8.5
97.06539	0.7
107.01323	12.9
107.05044	0.5
107.08627	1.3
109.10219	0.5
110.03706	0.4
111.04424	0.7
111.08060	0.6
122.99979	0.6
123.00737	1.8
125.02363	18.6
135.11714	1.0
143.03404	39.1
144.03802	0.4
153.01849	100.0
153.02989	21.2
153.12779	0.6
154.02208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	3.0
55.05503	1.7
65.03946	4.2
67.01859	0.6
67.05506	31.1
68.99792	20.5
69.03421	0.9
69.16902	0.5
70.94250	3.7
70.95868	4.8
71.57655	0.7
71.61529	0.5
71.94102	0.6
79.05499	6.0
81.03410	1.3
81.07058	2.6
82.41726	0.5
83.01319	0.5
83.04971	2.2
88.96909	1.1
91.05494	1.2
93.07041	2.0
95.04971	34.8
97.02898	1.1
97.06528	2.2
107.04966	2.2
107.08591	1.6
109.06519	1.9
110.03642	1.4
111.03794	0.6
111.04433	3.0
111.08088	1.2
111.96870	1.3
111.98476	1.0
123.04436	19.1
125.05974	5.1
129.97906	1.4
135.08064	0.9
138.03181	0.7
139.03928	7.6
141.05469	23.4
145.89574	0.5
148.43134	0.5
148.97389	0.8
153.01979	4.7
153.05470	100.0
153.09061	2.4
153.12766	0.7
154.05820	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	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.7
51.02378	5.0
55.01861	1.0
55.05511	1.6
59.04995	0.6
65.03948	0.5
67.05501	0.6
68.99780	0.6
69.03435	2.2
69.07069	1.7
69.24939	3.0
69.25346	0.8
71.04990	3.5
73.06544	1.4
79.01859	48.4
79.05502	2.8
80.02193	0.7
81.07056	8.1
83.05006	0.7
87.00840	1.0
91.05499	1.2
93.07045	4.0
95.01339	0.4
95.04968	0.5
95.08614	1.0
97.02907	8.0
97.06542	1.3
98.21108	2.0
107.01324	12.0
107.02041	0.8
107.08588	3.1
109.10173	0.6
111.04468	0.7
123.00801	1.6
125.02363	18.4
125.05943	0.4
135.11684	2.1
143.03403	37.8
144.03802	0.5
153.01846	100.0
153.02979	19.1
153.09119	0.8
153.12769	1.5
154.02179	1.8
163.18723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	2.0
51.02382	5.4
55.01870	1.0
55.05509	0.5
57.97248	0.4
67.05527	0.6
69.03431	2.2
70.56834	0.4
71.18744	0.7
79.01858	54.3
80.02206	0.6
80.30700	0.4
84.27932	0.4
87.00824	0.8
87.85078	0.4
93.07024	0.9
95.01344	0.5
97.02894	9.3
97.06549	0.7
107.01317	12.8
107.08640	0.7
111.04431	1.0
123.00784	1.7
125.02357	19.6
135.11731	0.5
136.41933	0.4
143.03398	42.4
144.03729	0.6
147.03578	0.5
153.01843	100.0
153.02971	20.4
153.12747	0.8
154.02190	1.3
165.24222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.7
51.02381	6.1
55.01874	1.2
65.03934	0.5
68.99798	0.4
69.03436	2.3
69.75124	0.7
69.75529	2.0
70.94257	0.9
74.21882	0.5
79.01860	49.0
79.05490	1.0
80.02193	0.8
81.07044	1.3
87.00835	1.2
91.05494	1.0
93.07050	1.1
95.04961	0.7
96.00932	0.4
97.02899	8.9
98.20860	0.8
98.21463	0.9
107.01323	10.8
107.08612	0.6
111.08122	0.6
123.00789	2.1
125.02357	19.3
135.08090	0.6
143.03407	37.9
153.01846	100.0
153.02975	17.8
153.09154	1.0
153.12732	0.4
154.02203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.9
51.02380	5.6
52.71855	0.5
55.01865	1.9
55.05506	0.8
65.03936	0.8
67.05503	0.6
68.99796	0.6
69.03427	4.0
69.07064	0.7
70.71365	0.6
70.71708	1.0
70.94260	0.6
71.05003	0.7
79.01859	48.5
79.05505	1.8
81.07071	2.0
83.04980	2.0
87.00852	0.9
91.05486	2.2
93.07051	2.3
93.35828	0.5
95.08593	0.9
97.02908	8.2
97.06530	1.9
98.21157	0.8
100.95171	0.5
104.50731	0.5
105.07046	0.7
107.01319	10.5
107.04952	0.7
107.08585	4.7
109.06541	2.7
109.10169	0.8
110.03681	0.5
111.04418	1.0
111.08083	1.1
123.00827	1.9
125.02357	18.7
125.09667	0.7
128.51094	0.4
135.08109	1.3
135.11673	1.1
143.03404	41.6
144.03801	1.0
153.01846	100.0
153.02979	19.7
153.09117	3.5
153.12767	1.1
154.02174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.5
51.02380	6.1
53.00291	0.5
55.01867	1.3
55.05503	0.7
56.69191	0.4
65.03948	0.6
67.05489	0.7
68.99818	0.5
69.03434	2.3
69.07062	1.6
70.94266	0.7
71.01974	1.1
71.04963	0.4
79.01859	51.1
79.05484	1.1
80.02177	0.4
81.07056	1.5
83.04984	0.4
87.00841	0.8
88.22253	0.5
91.05499	0.8
93.03397	0.4
93.07054	1.8
95.01348	0.5
95.04973	10.0
95.08606	1.1
97.02894	7.9
97.06541	0.9
107.01321	13.8
107.08576	1.9
109.06496	0.9
109.10155	0.9
110.03683	0.4
111.04449	0.6
111.08105	1.4
123.00794	1.9
125.02360	19.5
125.09612	0.6
135.11702	0.8
135.43416	0.4
138.17038	0.4
143.03403	40.2
144.03708	0.5
153.01845	100.0
153.02974	18.6
153.09114	1.0
153.12764	1.1
154.02197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01868	1.6
55.05496	0.5
57.03423	0.3
65.03944	1.2
67.01527	0.4
67.01865	6.0
67.05498	1.3
68.99791	5.9
69.03429	8.8
69.07056	0.7
69.49471	1.3
70.03780	0.2
70.94263	1.4
70.95847	0.5
71.04977	0.2
71.94089	0.9
79.01854	1.4
79.05496	1.8
80.61353	0.3
81.03423	0.7
81.07044	0.8
83.01351	1.7
83.04963	0.9
85.02898	0.4
88.95301	0.4
91.05492	0.5
93.03412	0.5
93.07028	1.5
95.04945	0.9
95.08583	0.5
97.02894	4.0
97.06531	1.6
98.20808	0.7
98.21467	0.4
107.04945	1.6
107.08569	1.7
109.06510	0.3
109.10151	0.5
110.03651	0.4
111.00800	0.9
111.04441	2.4
111.08070	0.8
111.96868	0.9
112.96717	0.4
125.02364	0.6
125.05984	3.0
127.76555	0.2
129.97906	0.5
135.04420	0.8
135.08046	0.7
135.11710	0.5
141.05472	0.5
143.03389	0.6
153.01826	100.0
153.05421	8.9
153.09053	1.2
153.12747	1.3
154.02168	1.7
154.04935	0.3
154.08620	0.3
171.02905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01869	1.1
60.12294	0.2
67.01871	6.1
67.05477	0.4
68.99429	0.4
68.99791	5.1
69.03434	8.3
69.33150	2.4
70.94264	1.6
70.95853	1.2
71.94100	0.3
79.01855	0.8
79.05479	0.9
81.03416	0.4
83.01350	2.2
83.04963	0.6
85.02881	0.4
88.96900	0.4
95.05038	0.2
95.05669	0.2
97.02914	3.0
97.06538	0.7
98.20900	1.0
107.04948	0.7
107.08584	0.3
111.00790	0.6
111.04435	0.5
111.96877	0.5
111.98515	0.4
114.17027	0.3
114.19360	0.2
125.02383	0.6
125.06011	1.3
129.97926	0.6
135.04433	0.4
141.05627	0.2
153.01836	100.0
153.05357	4.3
153.12804	0.6
154.02153	1.6
162.66483	0.3
171.02870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.93528	0.2
56.02154	0.2
58.19692	0.3
67.01529	0.4
67.01872	7.0
67.05505	0.3
68.99436	0.3
68.99797	5.7
69.03436	8.7
70.00618	0.2
70.88537	0.2
70.88882	0.4
70.94268	2.0
70.95866	2.9
79.01864	1.0
79.05497	0.7
81.03422	0.4
83.01351	1.8
83.04931	0.2
86.88654	0.2
88.95300	0.3
88.96882	0.8
88.97395	0.2
93.07063	0.2
93.37334	0.2
97.02902	4.0
97.06523	0.5
107.04951	0.4
111.00814	1.0
111.04444	0.5
111.96837	1.3
111.98484	0.6
112.08750	0.3
125.02359	0.9
125.05988	1.0
129.97929	0.9
129.99582	0.3
138.65240	0.2
148.97444	0.3
153.01839	100.0
153.05373	4.0
153.11322	0.9
154.02177	1.6
171.02885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01868	1.0
65.03945	0.4
67.01867	5.8
67.05492	1.7
68.99427	0.5
68.99787	6.3
69.03075	0.5
69.03432	8.4
69.83373	1.5
70.94251	0.4
70.95870	0.4
71.94093	0.3
79.01861	0.8
79.05487	1.3
81.03412	0.8
81.07030	0.3
83.01359	1.6
83.05013	0.5
85.02904	0.6
88.96902	0.3
95.04945	1.8
97.02889	3.4
97.06541	0.7
98.21190	0.8
107.04945	0.7
107.08555	0.4
110.03635	0.5
111.00791	1.0
111.04433	0.8
111.08089	0.3
111.96870	0.4
115.96692	0.3
118.73247	0.3
123.04419	0.7
125.02351	0.7
125.05991	2.2
129.97884	0.3
135.04410	0.5
139.03957	0.4
141.05426	0.8
153.01833	100.0
153.05429	11.5
153.10265	0.5
153.12689	0.3
154.02159	1.9
154.06169	0.3
171.02902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42534	0.2
53.03940	0.2
55.01883	0.9
55.05499	0.2
64.45145	0.2
67.01525	0.4
67.01869	6.1
67.05463	0.2
68.99429	0.4
68.99792	5.8
69.03434	7.5
69.07055	0.2
70.10455	0.4
70.10860	0.6
70.94254	0.5
70.95859	0.3
71.94106	0.3
77.00327	0.2
79.01859	1.0
79.05495	0.6
81.03426	0.6
81.07029	0.3
83.01344	2.1
83.04946	0.2
85.02918	0.4
88.17266	0.2
88.95251	0.2
90.52189	0.2
92.99789	0.4
93.07053	0.4
95.04967	0.4
97.02901	3.6
97.06530	0.3
97.89564	0.2
98.21399	0.3
107.01326	0.2
107.04943	0.4
107.08595	0.4
111.00796	0.8
111.04472	0.4
125.02364	0.6
125.05955	0.9
153.01836	100.0
153.05278	2.5
154.02151	1.9
171.02921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70017	0.2
53.03948	0.3
55.01869	1.2
55.58514	0.2
56.28423	0.2
61.96702	0.2
65.03928	0.4
67.01530	0.3
67.01871	6.0
67.05512	1.9
68.99431	0.4
68.99792	6.5
69.03075	0.4
69.03433	7.2
69.69994	0.8
69.70422	0.6
71.94090	0.4
74.25893	0.3
79.01855	1.0
79.05503	1.0
81.03419	0.7
81.07041	0.2
83.01334	1.8
83.04491	0.2
83.04963	0.5
85.02908	0.5
91.05485	0.4
92.99778	0.2
93.03410	0.2
93.07050	0.6
95.04964	1.8
97.02898	3.5
97.06541	0.6
98.20896	0.6
107.04955	0.3
107.08595	0.7
111.00797	0.8
111.04463	1.0
118.75053	0.2
123.04443	0.9
125.02342	0.4
125.06014	1.0
135.04465	0.3
135.08057	0.3
139.03893	0.3
141.05472	1.1
153.01836	100.0
153.05402	5.7
153.09070	0.6
153.10208	0.4
153.12747	0.3
154.02184	1.7
154.04999	0.3
154.08606	0.3
162.28210	0.2
171.02888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01870	1.3
67.01522	0.4
67.01868	6.7
67.05497	0.6
68.99428	0.4
68.99789	5.8
69.03431	8.5
69.07057	0.3
70.20050	0.8
70.94263	2.8
70.95861	1.9
72.43832	0.2
79.01866	1.2
79.05484	1.2
80.65134	0.2
81.03409	0.6
81.07064	0.4
83.01352	1.9
85.02914	0.4
88.95287	0.9
88.96921	0.5
91.05468	0.3
93.07044	0.6
95.04975	0.5
97.02903	4.0
97.06551	0.4
107.04980	0.5
107.08607	0.7
109.06548	0.2
110.03642	0.3
111.00801	0.7
111.04414	0.4
111.08091	0.6
111.96853	1.5
111.98459	0.4
125.02356	0.7
125.06004	1.7
127.03882	0.2
129.97905	1.1
135.00781	0.3
135.04420	0.3
135.11710	0.3
136.04024	0.2
153.01837	100.0
153.05405	6.7
154.02151	1.6
171.02972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25296	0.2
53.03944	0.3
55.01876	1.2
55.84858	0.2
55.93517	0.2
65.77058	0.3
66.68190	0.2
67.01530	0.4
67.01869	5.8
67.05498	0.5
67.61678	0.2
67.62522	0.2
68.99792	5.6
69.03429	8.8
69.07067	0.5
69.82057	1.0
70.94260	2.6
70.95863	2.9
71.94093	0.3
79.01844	0.8
79.05484	0.9
81.03405	0.5
83.01344	2.0
83.04996	0.4
85.02895	0.3
85.60677	0.2
88.95287	0.9
88.96896	1.1
93.07027	0.5
95.04994	0.3
97.02902	2.6
97.06533	1.2
98.21056	0.7
107.04953	0.9
107.08607	0.5
111.00811	0.7
111.04411	0.4
111.96877	1.4
111.98469	0.5
125.02377	0.5
125.05984	2.0
129.97917	1.3
135.04420	0.5
135.11674	0.2
153.01833	100.0
153.05417	7.7
153.12767	0.7
154.02135	1.5
171.02914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.01874	1.3
55.05517	0.2
60.20507	0.2
65.03934	0.4
67.01865	6.5
67.05499	0.6
68.99431	0.3
68.99792	4.8
69.03430	7.9
69.07072	0.2
69.70802	0.9
70.94254	0.5
71.04993	0.2
71.94106	0.4
74.15918	0.1
79.01862	1.0
79.05490	0.6
81.03397	0.5
81.07026	0.2
82.29069	0.2
83.01343	1.6
83.04971	0.3
83.08625	0.2
85.02901	0.4
92.99771	0.2
93.07034	0.4
95.04939	0.5
95.08631	0.2
97.02900	3.5
97.06492	0.3
98.01951	0.2
98.21227	0.5
107.04928	0.3
107.08565	0.6
108.28389	0.2
108.73746	0.2
109.10178	0.2
111.00800	0.9
111.04436	0.7
111.96830	0.3
125.02328	0.4
125.05995	1.2
129.97884	0.2
141.05475	0.3
152.33945	0.2
153.01830	100.0
153.05327	3.0
153.12733	0.4
154.02191	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01871	1.1
65.03942	0.4
67.01869	6.0
67.05484	0.3
68.99793	5.7
69.03432	9.5
69.07090	0.4
70.94262	0.6
70.95872	0.6
71.24755	0.6
71.94100	0.8
78.22347	0.3
79.01856	1.0
79.05488	1.0
81.03418	0.5
81.07058	0.4
83.01356	1.7
83.04983	0.7
85.02876	0.4
93.07027	0.7
95.04953	0.5
95.08604	0.3
97.02902	3.8
97.06516	0.6
98.20960	0.3
98.86723	0.3
103.91928	0.3
107.04968	0.4
107.08585	0.8
111.00807	0.6
111.04443	1.1
111.08125	0.3
111.96866	0.5
122.00574	0.3
125.02336	0.7
125.06003	1.7
129.97899	0.3
153.01837	100.0
153.05331	3.2
153.09108	0.6
153.12674	0.5
154.02148	2.0
154.04922	0.3
171.02895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01862	1.1
55.05516	0.6
56.05029	0.6
60.69366	0.2
65.03950	2.2
67.01527	0.4
67.01868	6.3
67.05491	0.8
68.05041	0.7
68.99796	5.8
69.03433	8.8
69.04544	0.3
69.07073	0.4
70.06602	1.9
70.89422	0.7
70.94253	0.7
70.95863	2.5
71.05006	0.3
71.06113	0.6
72.08147	1.0
73.23000	0.2
79.01864	1.2
79.05489	0.9
81.03416	0.6
81.07021	0.6
83.01354	1.5
83.04974	0.6
83.06113	0.7
84.05610	0.4
84.08137	0.4
85.02897	0.3
85.07650	0.8
88.95249	0.3
88.96902	1.1
92.99758	0.5
93.03416	0.6
93.07057	0.7
95.04975	0.6
95.06106	1.9
97.02901	3.3
97.06519	0.7
97.07652	0.5
98.07196	0.8
107.04935	0.9
107.08586	0.4
109.06475	0.4
109.07621	0.7
110.03656	0.4
110.07178	2.0
111.00803	1.4
111.04446	3.7
111.07975	1.5
111.09178	1.4
111.96853	0.4
111.98502	0.7
112.08738	5.7
125.02370	0.8
125.06007	2.8
126.10291	0.8
129.97911	0.3
129.99493	0.4
136.08714	1.6
148.97382	0.3
153.01836	100.0
153.05400	5.8
153.09207	0.4
153.10324	0.5
153.11362	9.2
153.12642	0.5
153.13918	0.4
154.02176	2.0
154.09761	0.4
171.02933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
51.23913	0.3
53.03932	0.4
55.01863	0.5
55.02995	0.4
55.05500	0.6
56.22288	0.2
56.96568	10.6
57.03428	1.0
57.07071	0.3
58.99861	0.4
59.04997	1.1
65.03927	1.2
67.05506	0.8
69.03441	2.0
69.07066	0.3
69.98586	0.6
69.98985	0.8
70.98113	0.3
71.04990	0.3
71.50974	0.3
71.95274	0.7
73.02915	0.7
79.01854	4.1
79.05487	1.0
80.04997	0.6
81.03407	0.8
81.05791	0.3
82.06577	0.4
84.04461	0.3
85.01405	0.4
85.02899	1.3
88.02687	0.3
89.00816	0.3
90.01569	0.3
92.04547	0.3
92.05017	3.5
93.05788	0.9
94.06567	0.6
95.04943	0.4
96.01559	0.3
96.04504	0.5
96.08125	0.8
97.02890	3.2
98.20769	0.3
98.21320	0.7
98.97593	3.4
100.02498	0.6
101.00861	0.7
103.02455	1.8
104.01315	0.4
106.06580	1.6
106.07233	0.3
107.01331	0.4
107.04898	0.3
107.07387	0.3
108.04466	0.6
109.02894	0.5
109.05144	1.5
110.03535	7.2
110.06046	8.6
110.97576	4.9
111.04434	0.5
113.00889	0.3
115.00613	0.4
115.02464	0.4
116.98627	1.9
117.04011	0.4
119.01867	1.5
119.97282	0.3
121.03474	0.7
122.06055	2.0
123.06820	0.9
124.03954	0.6
124.07594	2.4
124.31075	0.3
125.02376	1.9
125.04723	1.1
128.02345	0.7
128.04581	2.7
128.52522	0.5
128.98628	7.8
129.00261	0.3
129.03963	1.0
131.01845	0.3
133.03494	0.6
134.04565	0.7
134.06032	4.9
134.99652	0.7
135.03029	9.2
137.98390	0.4
138.05481	0.8
142.03568	0.3
143.00174	0.5
143.01871	0.3
143.02180	0.4
143.03400	3.6
145.03395	0.3
146.48747	0.4
146.99672	6.9
147.01385	2.2
147.03174	0.4
147.05011	1.7
152.01654	0.9
152.05684	58.5
152.07059	100.0
153.01895	7.7
153.03058	1.1
153.04074	17.3
153.07379	1.7
154.02472	0.4
158.99689	0.6
161.01202	0.7
161.02983	0.6
161.06635	1.0
165.00714	1.0
170.03014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	guanine
Peak:m/z	Relative Intensity
51.02379	0.5
53.03947	0.4
55.01876	0.7
55.03000	0.6
55.05511	0.6
56.96572	6.8
57.03444	1.8
58.99845	0.3
59.04991	0.7
61.02933	0.5
61.87805	0.3
65.03937	0.7
67.05508	0.6
69.03429	1.5
71.04951	0.4
71.33978	0.6
71.95258	0.5
73.02915	0.7
74.97634	0.3
77.00919	0.4
79.01862	5.3
79.05486	0.9
80.05025	0.5
80.70066	0.3
81.01929	0.5
81.03411	0.8
81.07098	0.3
82.01401	0.4
82.04081	0.3
82.06556	0.4
83.04991	0.4
84.96009	0.5
85.01407	0.5
85.02905	2.1
88.02689	0.6
89.00842	0.4
91.02452	0.8
92.05015	3.2
93.05781	0.6
96.08125	0.8
97.01366	0.4
97.02892	3.3
98.01244	0.3
98.21191	0.5
98.97593	2.6
100.02493	1.0
101.00863	1.2
102.02389	0.4
103.02448	1.8
104.75790	0.3
106.06552	0.9
107.01313	1.2
107.03577	0.4
108.04446	0.4
109.02873	0.7
109.05141	2.4
110.03536	11.8
110.06052	6.1
110.97581	4.6
111.95579	0.3
113.63325	0.3
115.02441	1.5
116.98625	1.1
117.02251	0.3
117.03989	0.9
118.03494	0.5
119.01926	3.6
121.03472	0.7
122.06036	1.6
123.06823	0.4
124.03954	0.5
124.07588	1.2
125.02364	2.2
125.04747	0.6
127.02500	0.3
128.04564	4.0
128.48404	0.4
128.97687	0.4
128.98621	6.1
129.00305	0.5
129.03979	1.0
131.01913	0.6
131.05415	0.3
131.55466	0.3
133.01700	0.3
133.03497	2.0
134.03683	0.4
134.04623	0.9
134.06029	3.5
134.99692	0.4
135.03033	18.6
135.05009	1.7
136.01466	0.7
136.50055	0.2
137.02927	0.5
137.98364	0.3
138.05499	1.0
143.01854	0.4
143.02359	0.4
143.03407	3.7
145.03415	0.6
146.99675	4.4
147.01395	1.6
147.03200	0.4
147.05003	1.6
149.03722	0.7
149.36850	0.3
151.04529	0.4
152.05678	100.0
152.07053	70.0
152.98561	0.3
153.01915	10.6
153.03096	1.6
153.04080	33.0
153.06061	0.9
153.07423	1.1
154.02483	0.8
157.01846	0.3
159.05084	0.4
161.02989	0.7
161.06584	2.1
165.00719	0.5
165.02527	0.4
170.03011	0.5
173.02936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03947	0.6
55.01870	1.5
55.05507	1.9
57.07053	0.7
59.04992	1.3
65.03940	1.3
67.05511	8.1
69.03431	1.6
69.07066	1.4
69.50398	0.9
69.50803	2.9
79.05499	4.4
81.03439	0.6
81.07066	18.2
88.32788	0.5
91.05486	7.1
93.07044	4.6
95.04977	5.5
95.08619	5.2
97.06547	1.5
98.20901	1.7
103.05502	0.8
105.07039	11.5
107.04961	1.0
107.08602	6.3
108.02104	0.5
108.05746	0.8
109.06528	14.8
109.10167	8.3
119.04969	0.9
119.06013	0.9
121.06512	1.4
121.10194	3.0
123.04455	2.1
123.08089	6.3
123.11727	4.1
131.08531	1.0
133.10139	5.6
136.05196	0.7
136.08841	1.8
151.03960	3.7
151.05002	0.9
151.07640	3.7
151.11197	100.0
152.07150	0.7
152.11543	1.9
163.34145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01870	1.5
55.05507	1.9
57.07053	0.7
59.04992	1.3
65.03940	1.3
67.05511	8.1
69.03431	1.6
69.07066	1.4
69.50398	0.9
69.50803	2.9
79.05499	4.4
81.03439	0.6
81.07066	18.2
88.32788	0.5
91.05486	7.1
93.07044	4.6
95.04977	5.5
95.08619	5.2
97.06547	1.5
98.20901	1.7
103.05502	0.8
105.07039	11.5
107.04961	1.0
107.08602	6.3
108.02104	0.5
108.05746	0.8
109.06528	14.8
109.10167	8.3
119.04969	0.9
119.06013	0.9
121.06512	1.4
121.10194	3.0
123.04455	2.1
123.08089	6.3
123.11727	4.1
131.08531	1.0
133.10139	5.6
136.05196	0.7
136.08841	1.8
151.03960	3.7
151.05002	0.9
151.07640	3.7
151.11197	100.0
152.07150	0.7
152.11543	1.9
163.34145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.96817	0.4
53.03934	0.8
55.01873	1.0
55.05512	2.1
57.03435	0.5
57.07066	1.3
59.04992	1.4
63.06228	0.4
65.03938	1.0
67.05170	0.6
67.05508	8.7
69.03426	1.4
69.07093	2.2
70.12273	1.5
79.05496	4.2
81.03420	0.6
81.07064	15.2
83.01309	0.4
83.04978	0.7
89.92072	0.4
91.05486	6.5
93.07048	4.6
95.01325	0.4
95.04983	4.4
95.08611	6.4
97.06528	1.1
98.21396	0.5
105.07036	10.2
107.04933	0.6
107.08599	6.7
108.05758	0.9
109.06530	13.8
109.10157	10.3
114.24108	0.4
119.04951	1.2
119.06130	0.4
121.06495	1.2
121.10152	2.3
123.04433	1.4
123.08075	6.1
123.11707	4.4
124.07596	0.6
131.08554	0.7
133.10135	5.8
136.08885	2.0
151.03992	2.5
151.07690	3.2
151.11192	100.0
152.11546	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.01587	1.0
53.03937	2.5
55.01865	2.2
55.05493	4.0
57.07069	3.5
65.03944	23.0
67.05476	1.5
69.07081	5.6
71.15511	2.1
74.92870	0.9
79.05495	18.2
81.07053	2.2
89.03915	1.2
91.05484	23.9
93.03388	6.2
93.07051	24.3
95.04971	2.9
98.03689	1.3
98.20779	1.4
103.05441	4.2
105.04529	1.1
105.07037	40.7
106.07873	2.3
107.08601	39.2
109.06502	2.8
111.04448	2.6
119.08584	14.3
121.02860	23.7
121.03968	5.9
121.06499	4.7
121.10147	100.0
122.10484	2.2
123.08073	6.7
126.98031	1.0
131.08539	1.9
133.07578	2.8
133.10112	2.7
134.10944	2.2
149.02344	44.3
149.09622	20.4
149.13260	12.7
150.02725	1.3
169.03479	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	151.0754
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03936	1.3
55.01869	1.0
55.05513	4.6
57.03459	0.5
65.03942	1.3
67.05505	27.6
69.03432	6.2
79.05495	4.3
80.06240	0.8
81.03393	0.7
81.07060	5.8
83.04988	3.3
89.06044	0.5
91.05477	3.3
93.07035	6.7
95.04959	2.9
95.08607	40.6
98.21321	2.7
103.05438	1.2
105.04507	0.4
105.07031	10.4
107.04958	1.0
108.05733	7.7
109.06546	0.7
109.10181	0.8
112.38005	0.4
119.04972	0.8
121.06503	1.2
123.04442	1.0
123.08070	48.3
124.08391	0.8
133.06482	1.0
151.07544	100.0
151.11150	1.8
152.07959	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03941	5.6
55.05505	8.7
58.29556	2.0
65.02899	2.3
65.03941	12.7
67.05501	7.0
69.07061	18.0
69.33723	12.3
69.34128	4.0
73.05483	1.8
76.56287	1.8
79.05495	29.6
81.07053	46.5
91.05482	24.2
91.92992	1.8
93.03414	3.1
93.07045	100.0
94.07370	3.0
95.04951	6.8
95.08605	5.7
98.21284	8.5
105.07033	11.2
107.08598	68.9
108.08871	2.2
109.06512	3.2
111.04458	2.2
121.02868	12.4
121.03987	3.6
121.10155	30.2
135.70847	2.0
149.02345	25.0
149.13258	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37555	1.4
53.03934	2.4
55.05500	4.6
57.07064	3.8
65.03941	21.0
67.05505	2.5
69.07051	7.0
71.01160	2.8
71.01482	2.4
76.93407	1.8
79.05492	18.3
88.00638	1.6
90.27816	1.5
91.05475	24.8
93.03389	4.1
93.07053	26.5
95.04969	5.3
103.05449	5.9
105.07034	51.5
107.08595	46.0
109.06512	5.0
111.04405	3.5
119.08597	14.4
120.09386	3.2
121.02858	21.8
121.03947	4.5
121.06493	3.5
121.10143	100.0
122.10484	4.0
123.08064	8.1
133.07654	2.5
133.10139	2.5
134.10905	3.0
145.02530	1.6
149.02347	49.1
149.05986	1.6
149.09619	22.7
149.13281	13.7
167.03366	1.7
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
53.03939	2.7
55.01880	5.6
55.05499	3.3
58.06875	1.2
65.03945	56.6
66.04266	1.1
67.05495	4.3
68.99804	1.2
69.07073	7.1
69.61549	6.3
79.05501	15.6
80.02654	1.1
81.03410	2.3
81.07063	17.8
91.05494	9.8
93.03403	11.3
93.06464	2.3
93.07043	36.2
95.04956	3.5
95.08591	3.4
98.03695	2.2
98.21144	3.9
105.03413	2.1
105.07034	3.3
107.08609	22.5
111.04454	10.2
113.62266	1.2
117.30144	1.1
121.02866	59.2
121.03963	14.2
121.10140	10.2
122.03187	1.9
131.08600	1.5
149.02350	100.0
149.05948	1.9
149.09605	5.5
149.13275	15.6
150.02638	1.9
165.59430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02378	1.0
53.03936	3.0
54.40855	1.0
54.71822	1.0
55.01858	3.1
55.05507	4.3
57.07077	1.8
61.48771	0.9
65.03945	47.1
66.79942	0.9
67.05505	1.9
69.03431	1.8
69.07071	3.2
69.35531	1.7
69.35939	7.1
75.38223	1.0
79.05499	14.2
81.07057	2.9
89.03896	1.6
91.04898	1.1
91.05479	22.1
91.06011	1.8
93.03410	11.3
93.06182	1.0
93.07050	21.7
95.04967	3.6
98.03658	2.3
98.21077	4.6
98.21692	0.9
103.05473	3.7
105.06381	1.9
105.07042	29.4
106.04169	1.8
106.07891	1.4
107.08607	25.2
111.04455	8.4
115.05481	1.1
116.06238	1.8
119.08593	8.0
121.02869	54.8
121.03972	13.8
121.06521	7.0
121.10146	50.3
122.10474	1.3
123.08086	3.4
123.11807	1.0
131.08559	2.5
133.07632	2.4
133.10081	1.6
134.10863	1.6
149.02353	100.0
149.05959	6.2
149.09624	21.8
149.13246	8.8
150.02667	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05505	8.7
58.29556	2.0
65.02899	2.3
65.03941	12.7
67.05501	7.0
69.07061	18.0
69.33723	12.3
69.34128	4.0
73.05483	1.8
76.56287	1.8
79.05495	29.6
81.07053	46.5
91.05482	24.2
91.92992	1.8
93.03414	3.1
93.07045	100.0
94.07370	3.0
95.04951	6.8
95.08605	5.7
98.21284	8.5
105.07033	11.2
107.08598	68.9
108.08871	2.2
109.06512	3.2
111.04458	2.2
121.02868	12.4
121.03987	3.6
121.10155	30.2
135.70847	2.0
149.02345	25.0
149.13258	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	2.5
55.01865	2.1
55.05509	3.0
55.23573	1.0
57.07064	2.4
58.04732	1.0
65.03604	2.5
65.03944	51.2
69.03426	1.6
69.07056	3.0
69.90744	2.4
69.91152	4.6
79.05498	17.2
80.02624	1.3
81.07030	2.1
91.04932	0.7
91.05476	22.9
93.03396	11.2
93.07050	25.9
95.04958	2.8
95.08562	1.1
98.03680	2.3
98.20974	2.7
103.05461	3.5
105.07035	36.8
106.07837	2.2
107.08598	30.7
108.08164	1.3
109.06523	3.1
111.04464	8.6
116.06231	2.2
119.08597	9.5
120.09353	1.1
121.01986	1.7
121.02869	47.4
121.03970	13.0
121.06490	7.3
121.10146	72.1
122.03223	1.4
122.10459	1.4
123.08060	5.0
131.08554	2.1
133.07635	3.5
133.10155	1.5
134.10889	3.8
147.79648	1.3
149.02348	100.0
149.06059	2.3
149.09618	26.6
149.10745	2.3
149.13264	9.9
150.02724	2.9
150.10033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.89268	1.7
53.03938	4.5
55.01863	2.9
55.05499	3.8
57.07069	2.5
64.62617	1.6
65.03944	41.5
67.05497	2.7
68.99797	1.4
69.03413	2.4
69.07076	2.9
69.60844	2.4
69.61246	8.0
71.24036	1.4
78.04694	2.2
79.05490	30.2
81.07056	4.9
89.03947	1.6
91.04958	2.8
91.05484	37.3
93.03426	11.6
93.07047	49.3
95.04966	6.4
98.21136	6.7
103.05458	9.6
105.07030	51.8
106.07813	6.4
107.08592	26.3
109.06500	2.4
111.04423	8.2
111.21034	1.7
115.05451	2.0
116.06226	7.0
119.08588	13.3
121.02867	51.1
121.03969	12.8
121.06528	10.3
121.10147	67.7
123.08071	5.4
131.08585	6.2
133.07602	3.5
133.10133	3.0
133.32675	2.0
134.07259	1.8
134.10919	2.6
149.02351	93.7
149.05940	2.5
149.09625	100.0
149.13274	12.2
150.02711	3.0
150.09981	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03931	5.8
55.01872	10.8
55.05512	8.7
65.03940	53.2
66.96243	1.4
67.05501	9.2
69.07065	15.3
79.05059	2.0
79.05491	28.3
80.28107	1.2
81.07053	40.0
83.08604	1.7
85.64085	1.0
91.05485	19.9
93.03403	10.5
93.07042	87.3
95.04950	5.9
95.08595	6.7
98.03670	2.5
98.20940	8.2
105.03366	1.4
105.04507	2.6
105.07025	5.9
107.08594	50.2
108.04461	1.5
109.06530	1.2
111.04458	9.5
119.08523	1.9
121.02863	57.5
121.03971	15.9
121.06458	2.0
121.10146	22.2
131.08595	2.3
133.01321	1.5
148.97141	1.2
149.02344	100.0
149.09612	12.7
149.13263	28.5
150.02734	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03942	4.4
53.60333	1.1
54.81377	1.3
55.01871	2.6
55.05518	2.5
60.11714	1.2
61.46949	1.3
64.96571	1.4
65.03928	5.1
68.66509	1.4
69.03410	2.0
70.63376	3.8
79.05492	19.7
81.07030	1.8
91.05486	51.0
93.03428	1.6
93.07047	35.9
95.04975	6.6
103.05497	8.1
105.07034	42.0
106.07820	3.9
107.08649	1.4
109.06520	3.7
115.05434	6.7
116.06251	18.9
119.08597	6.5
121.02870	8.5
121.06517	16.4
121.10148	36.5
123.08079	5.6
129.06996	5.9
131.08571	15.4
133.06561	1.4
133.07591	3.1
134.07297	3.7
140.97290	1.7
147.08008	2.7
149.02332	11.2
149.09625	100.0
150.09996	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03934	2.4
55.01865	2.4
55.05512	1.8
63.37486	0.7
65.03943	50.1
68.11530	0.8
69.03451	1.3
69.07070	1.4
71.03925	1.8
78.04716	1.1
79.05492	13.7
80.02644	1.0
81.07050	2.9
89.03904	0.9
91.05480	19.9
93.03410	9.3
93.07047	27.5
95.04963	3.2
98.03692	2.8
98.21037	1.0
103.05473	4.4
105.07037	19.4
106.04164	1.6
106.07801	3.6
107.04927	1.6
107.08607	5.8
109.06522	1.0
111.04459	8.9
115.05486	0.8
116.06227	2.5
118.84715	1.1
119.08604	2.7
121.02868	51.5
121.03970	13.4
121.06491	8.0
121.10141	16.3
122.03163	1.5
123.08081	1.7
131.08577	2.9
133.07578	1.6
149.02348	100.0
149.05986	3.4
149.09621	57.3
149.13263	1.5
150.02649	4.2
150.09981	1.2
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	L-Glutamic acid
Peak:m/z	Relative Intensity
56.05038	7.0
65.03898	0.5
70.89745	0.7
70.90076	0.6
71.04983	0.5
73.75425	0.4
82.06587	0.8
84.04507	100.0
84.18445	0.4
85.02915	3.0
85.04380	0.5
85.04837	2.8
102.05547	20.9
112.07549	0.4
128.24858	0.4
130.05014	7.1
130.08665	0.8
131.05371	0.6
148.06021	2.1
148.09709	1.3
149.02629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60637	0.9
53.03939	3.6
55.05510	1.8
65.03932	6.2
67.04486	0.9
67.05502	1.0
69.03415	1.8
69.97094	4.6
77.03903	1.1
79.05495	17.7
79.05944	1.2
81.07053	2.7
91.05480	45.3
93.03394	1.1
93.07044	35.1
94.07361	1.2
95.04960	3.9
103.05476	7.7
105.07030	37.3
106.07846	4.3
107.04961	1.5
107.08578	1.1
109.06482	3.0
111.04455	1.5
115.05451	4.3
116.06252	15.4
119.04937	0.9
119.08578	6.9
121.02861	7.4
121.04008	2.2
121.06524	10.0
121.10141	30.8
123.08080	5.8
129.06992	4.2
131.08569	14.1
133.07582	2.1
134.07269	3.0
147.08119	1.9
149.02332	11.8
149.09618	100.0
150.09940	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03945	2.5
55.05513	10.2
59.42297	1.1
64.92791	2.0
65.03918	3.1
67.05505	9.1
69.07062	4.5
69.79774	1.0
69.82977	4.5
73.90247	1.0
79.05497	20.7
80.51395	1.0
81.07057	6.5
91.05483	81.4
92.05807	2.4
93.07032	8.9
95.04987	2.6
98.20800	1.3
98.21338	2.3
103.03963	1.2
103.05488	5.3
105.07034	100.0
106.07313	1.7
107.08615	2.0
117.07019	8.8
119.04945	9.5
119.08585	56.9
120.08949	1.3
121.98222	1.2
123.96429	2.2
126.21008	1.1
129.07053	1.1
145.10120	3.9
147.04437	5.0
147.11685	28.7
148.12001	1.5
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
54.12371	0.5
55.01870	0.6
56.05040	6.6
56.96562	0.9
65.03944	2.8
67.05497	0.6
68.05038	0.5
69.03429	1.6
69.77074	2.5
69.77476	1.0
70.06571	0.5
71.04979	0.4
71.49472	0.4
74.06085	0.6
79.58350	0.5
84.04505	100.0
84.08138	0.7
85.02905	1.6
85.04857	2.4
93.03438	0.8
94.06564	0.8
98.20801	0.9
98.21379	1.0
100.02508	0.5
102.05549	20.2
103.54025	0.5
111.04433	0.6
112.07574	0.8
112.58625	0.4
121.02880	3.0
121.03956	0.9
130.04997	7.4
130.06567	0.5
130.08676	0.8
130.88400	0.5
131.05348	0.8
134.74219	0.4
148.06061	2.1
148.09705	2.4
149.02336	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	147.0765
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
56.05037	4.3
57.03437	0.5
64.00149	0.3
69.03445	0.8
69.05309	0.4
70.06597	0.8
73.02913	0.6
74.06073	1.1
82.06578	0.9
84.04507	100.0
84.08144	5.5
85.02920	2.2
85.04836	1.0
91.05479	0.5
92.92166	0.3
93.01848	0.4
94.02654	0.4
94.06564	1.1
96.02425	0.7
101.00892	0.7
101.01730	1.8
101.07154	1.7
102.02422	0.8
102.05545	7.6
112.07619	0.7
119.01938	1.0
130.05006	25.3
130.08669	1.0
133.03491	0.6
143.01935	0.6
147.07628	0.7
148.06053	0.8
148.09698	3.5
148.49541	0.4
163.24049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04778	0.4
56.05038	4.9
56.96550	0.6
57.03424	0.8
57.08306	0.4
61.02927	0.5
69.03421	0.9
70.06596	0.5
71.56408	0.3
73.02903	0.4
74.06088	0.8
75.77975	0.3
81.35455	0.3
82.06567	1.2
83.37069	0.3
84.04505	100.0
84.08139	2.8
85.02914	2.5
85.04829	0.6
88.04768	0.3
88.58298	0.3
91.05453	0.7
94.06567	1.5
98.21047	0.4
101.00912	0.6
101.01711	1.0
101.07162	2.0
102.05539	9.0
112.05904	0.3
112.07622	1.4
116.19338	0.3
119.01901	1.1
130.05005	21.6
130.08673	1.6
131.01883	0.7
133.03416	0.4
143.01933	0.3
147.07643	0.7
148.06084	0.5
148.09679	4.1
149.04807	0.5
153.65749	0.4
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
63.41645	0.5
64.61071	0.6
65.03943	12.1
69.44820	4.8
77.03898	0.6
91.05485	100.0
92.05823	2.2
98.21107	2.6
105.07037	2.5
119.04950	94.4
119.08582	4.1
120.05286	2.4
147.04416	37.4
147.08072	0.8
147.11671	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03946	0.5
57.53895	0.5
65.03945	11.1
67.25814	0.5
71.11135	0.7
71.11481	0.7
91.05486	100.0
92.05805	2.0
95.04974	0.7
98.21142	0.8
105.07048	3.6
108.01009	0.5
117.07028	1.3
119.04951	89.8
119.08569	4.5
120.05246	2.0
135.73120	0.5
147.04416	33.1
147.11667	1.8
148.04729	0.8
157.21645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.50476	0.5
54.92439	0.5
55.05511	0.8
55.90885	0.5
59.33007	0.5
65.03945	11.9
68.24809	0.5
69.36599	1.3
69.37009	3.6
80.18647	0.5
91.05483	100.0
92.05814	2.1
98.21032	2.3
105.07040	5.8
114.10581	0.6
117.07044	1.0
119.04946	88.6
119.08585	7.2
120.05280	2.4
123.91673	0.5
123.96498	1.0
128.75720	0.5
142.51329	0.5
147.04414	34.2
147.08057	2.0
147.11699	4.3
148.04756	1.1
158.96724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
65.40100	0.5
69.46924	4.6
72.05285	0.5
72.08143	0.9
91.05482	28.1
94.66686	0.5
97.79566	0.5
98.21176	2.2
100.04800	1.3
104.93935	0.5
117.05767	6.1
118.06548	100.0
119.04949	2.9
119.06878	2.1
122.47811	0.6
128.04964	4.5
140.77083	0.5
142.45340	0.6
146.06012	18.6
147.04382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.43676	0.5
55.05500	1.1
60.59746	0.5
63.77210	0.4
64.92799	0.5
65.03938	9.3
67.05512	0.5
69.75615	0.8
69.75983	2.5
79.05495	1.4
91.05482	100.0
92.05823	1.8
98.20905	1.0
98.21471	0.9
103.05418	0.6
105.07026	7.2
105.07680	0.7
107.08600	0.5
117.06991	0.7
119.04946	85.5
119.08579	9.5
120.04544	0.5
120.05307	1.9
123.96406	0.7
132.09265	0.4
140.39243	0.4
147.04414	31.0
147.08038	2.1
147.11665	4.9
148.04753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03949	3.7
55.01864	0.8
55.05503	0.5
57.03424	0.5
62.92986	0.4
65.00656	0.5
69.03424	0.5
69.92776	1.7
70.06586	0.6
71.04990	2.3
78.65073	0.4
80.05009	1.5
81.03406	0.9
84.91412	0.4
85.02902	1.2
87.02698	9.4
89.00613	1.5
91.05481	2.1
95.04985	1.2
96.43782	0.4
98.06041	1.6
98.09681	0.5
98.21117	1.1
99.04455	5.7
103.05470	5.6
104.02947	1.8
114.73434	0.4
115.05463	4.8
117.05720	1.2
117.07018	7.6
121.00835	0.6
127.03908	1.1
127.05467	1.3
128.04987	4.6
129.05745	0.4
135.38208	0.5
139.01831	0.6
141.27048	0.4
142.06583	0.5
143.07317	15.8
144.03726	2.0
144.04800	5.5
144.08089	100.0
145.05438	0.4
145.06511	3.1
145.08412	2.5
145.10146	0.4
146.06012	1.8
150.01990	0.4
155.06027	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10096	0.9
53.03936	3.3
62.92984	3.0
63.32135	0.8
67.05487	1.3
69.45322	7.8
71.04993	7.6
79.05492	2.2
79.77441	1.1
81.03409	1.7
85.02898	1.7
91.05485	14.3
99.04467	16.4
103.05479	2.9
105.07035	75.3
106.07405	1.2
106.83675	1.0
108.87575	1.0
115.05459	7.3
116.06232	2.5
117.07024	26.9
121.96653	6.7
127.03881	2.4
128.06192	5.3
129.07005	10.6
130.07796	44.4
131.08075	0.9
143.08559	9.7
145.06436	1.8
145.10127	100.0
146.10422	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83218	0.6
55.55520	0.5
56.01875	0.5
58.47031	0.7
58.99859	3.3
70.39283	2.0
70.99864	5.8
75.02440	0.7
77.00908	3.6
78.52984	0.5
81.04531	1.3
82.99833	3.4
84.20206	0.6
84.52949	0.6
85.02940	0.7
88.02699	0.7
89.00900	3.6
95.01926	0.8
95.13112	0.6
97.03994	0.5
98.01367	0.7
98.21344	1.2
100.02527	1.2
100.63294	0.7
101.00882	47.0
102.00999	1.1
103.02370	0.8
103.10133	0.7
104.75294	0.6
110.01419	0.6
115.02437	0.8
119.01923	100.0
119.45818	0.5
120.01988	3.2
121.03471	0.6
124.02442	0.7
125.07126	1.2
131.01906	1.1
133.03453	1.4
137.02960	10.9
142.03502	2.3
143.01869	5.0
143.03545	0.9
144.10202	2.3
161.02971	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.99873	4.3
66.32240	0.7
70.37615	2.1
70.38005	1.5
70.99867	7.4
73.02901	0.6
77.00914	4.8
79.24196	0.8
79.70023	0.8
81.04530	1.4
81.54734	0.7
82.99844	2.9
83.63201	0.7
84.08138	0.8
89.00917	4.1
94.77336	0.7
95.01983	1.3
97.03996	1.1
101.00885	45.5
102.01016	1.1
103.02433	1.4
110.01407	1.5
115.02404	1.0
119.01926	100.0
120.02029	2.9
121.03484	0.7
131.01955	1.3
133.03461	1.7
137.02965	12.0
142.03470	2.8
143.01935	4.3
143.08179	1.0
144.10188	1.5
147.69673	1.0
161.02968	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25923	3.8
56.96584	6.4
67.23053	3.6
69.75754	20.6
70.99837	5.5
79.64083	3.7
82.99863	5.2
98.20856	9.6
98.21402	5.7
98.97588	6.2
100.02504	5.3
101.00224	5.7
101.00879	35.7
110.20352	4.4
119.01926	100.0
126.39759	4.3
127.38467	3.9
128.70189	4.1
131.02007	4.2
137.02975	15.7
142.03510	17.7
143.16803	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95755	0.6
51.32022	0.5
57.03422	0.8
58.72235	0.7
58.99862	2.8
69.87221	3.0
70.99851	5.8
77.00906	3.3
81.04507	0.8
82.01453	0.8
82.99846	2.7
86.03715	0.7
89.00894	3.5
89.44189	0.7
93.54334	0.6
95.01942	0.8
95.06106	0.9
97.02985	0.5
98.20732	0.8
98.21313	1.5
100.02490	1.5
101.00886	41.0
102.00975	1.7
103.02464	0.6
110.01360	0.8
115.02463	0.7
119.01924	100.0
120.01997	3.6
122.53691	0.7
124.02441	0.6
131.01825	1.2
133.03456	2.1
137.02963	11.2
142.03523	2.1
143.01910	5.5
143.02977	0.6
143.03499	0.8
161.02972	5.7
162.03085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24723	5.7
67.40741	5.7
70.91875	17.8
93.34850	5.9
101.00905	30.4
119.01936	100.0
128.97777	5.8
137.02983	26.7
137.09528	6.0
142.03517	15.3
160.04684	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	141.0547
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03946	2.3
55.01867	0.6
56.42615	0.4
57.77862	0.3
65.03931	1.4
67.01862	3.8
67.03021	0.4
67.05499	1.5
68.99792	4.3
70.58177	1.1
73.06573	0.8
81.03419	22.3
83.98929	0.4
85.02918	2.0
85.06577	0.5
94.34195	0.4
95.04972	5.6
98.03680	13.4
99.04450	0.9
102.04921	0.4
108.02098	1.8
109.02889	11.3
110.03654	0.6
111.00838	0.5
111.04415	0.7
113.02399	1.1
113.06015	5.1
115.05435	0.4
116.98635	0.4
123.04436	4.3
126.03140	15.7
127.03928	7.3
141.05472	100.0
142.05807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03944	2.1
55.01266	0.4
55.01866	0.6
55.05500	0.4
55.37775	0.3
56.01309	0.4
65.03925	1.7
67.01875	3.5
67.05493	1.4
68.99792	4.5
69.03410	0.5
69.77503	2.3
70.88007	0.4
71.04971	0.4
73.06544	1.0
73.34322	0.4
81.03418	23.3
85.02897	2.3
85.06544	0.8
93.37330	0.4
95.04969	7.3
98.03675	15.5
98.07157	0.4
98.20844	0.9
98.21461	0.8
99.04488	0.8
100.40157	0.4
108.02097	2.0
109.02882	12.3
110.03622	0.4
111.00824	0.7
111.04448	0.9
113.02367	0.5
113.06001	4.7
115.05438	0.8
120.20441	0.4
123.04425	5.1
126.03136	15.7
127.03933	6.7
141.05463	100.0
142.05804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03951	2.6
55.01852	0.8
55.05495	0.6
55.32108	0.3
59.93133	0.4
65.03934	1.3
67.01864	4.0
67.05505	1.9
68.99431	0.5
68.99790	4.6
69.03447	0.6
69.57979	2.4
73.06542	0.6
81.03422	22.8
81.07107	0.4
83.97138	0.4
85.02895	1.5
85.06516	0.5
95.04980	7.4
98.03680	13.3
98.20742	0.6
99.04486	1.0
99.06010	0.4
106.06990	0.4
108.02104	2.0
109.02886	12.2
111.00813	0.7
113.02327	0.6
113.06013	5.6
115.05466	0.6
118.96824	0.3
122.07695	0.4
123.04436	6.9
126.03142	17.1
127.03094	0.5
127.03940	7.0
133.17796	0.3
141.05470	100.0
142.05849	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
50.27282	0.3
51.12251	0.3
52.30663	0.4
53.03948	2.5
55.01865	0.4
55.05506	0.8
57.03435	0.7
59.76312	0.4
65.03931	1.5
67.01870	3.6
67.05501	2.0
68.99791	3.8
69.03436	0.4
73.06547	0.6
74.86610	0.3
77.13712	0.4
80.02626	0.4
81.03420	22.1
85.02899	1.5
85.06533	0.5
95.04974	6.5
97.02878	0.4
98.03677	14.4
98.21507	0.9
99.04476	1.0
108.02086	1.6
109.02887	12.4
111.04469	0.5
113.02359	0.3
113.06013	5.4
115.05475	0.6
123.04434	6.0
126.03140	15.3
127.03935	7.2
136.46161	0.3
141.05470	100.0
142.05775	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	141.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01862	0.5
57.07080	0.4
65.03931	1.3
67.01875	3.6
67.05505	3.1
68.67163	0.4
68.99788	4.7
69.03403	0.6
71.56618	0.6
71.57015	0.7
73.06544	0.8
81.03419	20.8
85.02901	1.7
85.06537	0.7
95.04977	8.9
96.08092	0.4
98.03675	13.4
99.04449	1.1
108.02077	2.0
109.02885	10.2
109.03584	0.8
111.00843	0.5
111.04457	0.6
112.08676	0.4
113.06007	5.8
115.05444	1.6
123.04436	10.7
124.04803	0.4
126.03141	16.7
127.03934	7.2
141.05469	100.0
142.05823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64740	0.8
53.03942	3.3
55.01863	0.8
55.05513	0.8
65.03949	1.5
67.01872	3.7
67.05508	1.9
68.99788	4.2
71.04957	0.7
73.06547	0.9
79.23827	0.7
81.03422	23.5
85.02907	2.2
95.04971	8.1
98.03679	15.3
98.21297	3.6
99.04488	1.0
108.02097	2.7
109.02883	11.9
113.06016	5.5
115.05467	1.3
123.04456	4.5
126.02271	1.0
126.03144	15.4
127.03938	6.4
141.05470	100.0
142.05833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01870	0.6
56.96574	0.4
65.03941	1.5
67.01871	4.2
67.05519	3.0
68.99792	4.2
69.03412	0.5
69.35971	1.7
69.36399	2.0
71.04998	0.5
73.06547	0.5
74.24676	0.4
81.03424	21.0
81.07053	0.8
85.02889	1.4
95.04977	8.9
95.08580	0.9
98.03680	14.0
98.20815	0.9
98.21452	0.6
99.04475	1.1
108.02107	2.5
109.02883	11.8
111.00780	0.7
112.08745	0.9
113.02379	1.2
113.06019	3.9
115.05470	1.4
123.04433	7.3
126.03140	18.4
127.03937	7.5
141.05473	100.0
142.05830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0706
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02367	1.8
52.02164	1.4
53.03951	25.9
55.01865	4.1
56.02186	1.3
56.96566	9.2
57.93558	4.9
58.02968	1.1
59.41019	1.4
65.03926	4.9
67.05508	40.1
68.05036	1.9
69.03411	1.6
69.07069	8.0
69.65411	4.7
69.65820	3.0
70.06583	3.4
77.03924	2.1
81.03407	2.2
81.07040	1.6
84.08146	10.0
88.41568	1.1
92.03766	1.1
93.05783	15.4
94.06574	59.4
95.01318	1.4
95.04974	42.1
95.08620	2.2
96.00043	1.3
96.04507	4.8
96.05284	1.1
97.02916	3.3
97.05276	2.1
98.06025	1.2
98.21074	4.3
98.97588	23.8
104.58591	1.3
105.04519	12.0
111.00871	1.5
112.03996	3.1
112.04765	1.6
112.07611	17.3
113.02366	2.1
113.06055	1.7
116.97266	11.2
116.98615	21.8
122.06033	100.0
123.04440	1.8
123.06397	1.4
125.02353	4.6
134.99661	16.2
140.03398	2.8
140.04553	2.4
140.07071	54.0
141.05516	1.7
153.00653	2.0
157.76839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03952	2.7
55.01868	0.9
55.05499	0.5
57.03431	0.4
59.93081	0.4
65.03930	1.3
67.01868	3.5
67.05510	1.7
68.99794	4.4
69.03429	0.6
71.04981	0.7
71.24118	0.5
71.24465	0.4
73.06551	0.7
81.03420	23.5
85.02894	1.7
85.06548	0.6
87.00807	0.3
95.01355	0.4
95.04964	7.6
98.03674	13.8
98.21193	0.5
99.04451	0.7
108.02101	2.2
109.02882	11.7
111.04462	0.4
113.02342	1.0
113.06014	5.4
115.05447	0.7
118.96777	0.5
123.04424	5.6
126.03139	17.3
127.03925	7.2
141.05467	100.0
142.05850	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
50.68761	0.3
53.03942	2.5
55.01856	0.6
55.05503	0.8
65.03938	1.6
67.01872	2.9
67.05506	4.5
68.99785	4.8
69.03419	0.6
69.96377	1.2
73.06550	0.8
81.03416	20.7
82.03766	0.3
85.02895	1.5
95.04972	9.7
98.03671	13.7
98.20951	0.6
99.04459	1.2
108.02103	1.8
109.02881	10.3
111.00783	0.6
111.04403	0.6
113.02393	0.4
113.06010	5.1
115.05451	1.1
123.04430	13.6
126.03132	16.2
127.03065	0.5
127.03930	5.9
140.43272	0.3
141.05466	100.0
142.05823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03946	2.4
55.01865	2.7
55.05511	5.0
56.96552	1.5
57.07064	3.6
59.04996	3.2
65.03949	7.4
67.05506	4.7
68.99803	1.1
69.03432	100.0
69.07072	5.1
69.48592	6.9
70.03753	1.3
79.05489	5.5
81.07059	2.4
83.04984	12.4
91.05481	2.9
93.03405	2.7
93.07050	11.1
95.04960	3.6
95.08616	6.0
97.02892	1.4
97.06528	13.9
98.21014	3.2
98.97581	2.6
98.98476	5.6
105.07022	3.9
111.04431	9.3
111.08076	2.0
116.31730	0.8
116.97227	1.7
116.98611	1.8
121.02860	3.3
121.04049	1.0
121.06518	1.0
121.10144	11.8
125.02373	1.3
129.05045	0.9
134.99640	1.0
139.03917	15.0
139.04924	1.2
139.06543	1.1
139.07568	2.4
139.11180	45.6
156.87267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30634	0.6
54.98639	0.6
56.96568	30.1
61.06913	0.6
70.62666	1.9
71.95264	6.4
79.44400	0.6
80.10515	0.6
80.25996	0.6
92.31219	0.6
94.06569	0.7
97.02920	0.8
98.20979	0.9
98.97588	100.0
116.98626	67.4
118.27481	0.6
125.02364	3.5
134.99664	24.5
140.00217	1.1
140.04666	0.7
149.01292	0.8
153.00740	2.7
154.14819	0.6
155.62190	0.7
158.01228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.5
56.96571	26.1
59.35173	0.6
70.01361	2.5
70.01765	1.2
71.95271	6.3
72.89471	0.5
73.93018	0.6
83.78369	0.6
88.57285	0.6
98.20956	1.3
98.97590	100.0
106.40393	0.6
116.98629	61.4
134.99670	24.1
140.00212	1.0
153.00732	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03943	1.8
54.84515	1.2
55.01874	6.6
55.05499	2.8
57.41645	1.3
57.93562	2.3
65.03941	10.1
67.01836	1.7
67.05490	2.8
67.56411	1.4
68.99789	10.0
69.03425	4.6
75.47283	1.3
83.04990	9.7
87.03026	1.5
93.03403	6.0
93.04514	2.2
93.07031	2.1
94.06579	1.7
95.04984	1.8
97.02911	3.4
97.06509	1.6
98.20670	2.9
98.21360	8.2
98.98470	11.6
111.04440	35.1
112.04002	1.3
116.97234	2.0
119.44071	1.3
121.03978	4.2
121.06493	1.9
139.03905	100.0
139.04834	3.4
139.07539	2.3
139.08670	1.3
140.04253	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	139.039
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00076	0.9
53.00311	12.8
53.03947	1.6
55.01884	3.8
55.02097	0.8
55.05506	1.8
56.96570	3.7
57.93571	0.7
65.03947	23.4
67.01852	2.0
67.05500	2.9
68.99797	6.6
69.03429	1.1
70.70095	2.1
71.01352	0.7
77.27211	0.7
79.05494	1.1
81.03404	0.8
83.04984	5.3
93.03416	9.4
93.07039	1.0
95.04963	3.0
97.02913	1.2
98.97605	8.7
98.98440	3.9
111.04453	21.3
111.05210	1.3
116.97254	0.9
116.98643	8.4
121.02879	14.0
121.03872	1.0
128.08862	0.7
134.22066	0.7
134.99663	3.4
139.03912	100.0
140.04274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03935	1.1
53.53783	0.4
55.01872	6.1
55.05515	2.7
57.32147	0.4
58.49664	0.4
58.77513	0.4
65.03940	9.8
67.01865	2.3
67.05497	1.6
68.99791	9.1
69.03432	2.8
70.42073	1.5
70.42419	0.4
71.01350	1.7
80.52789	0.4
83.04987	7.4
86.67220	0.4
93.03407	7.3
93.04511	0.8
93.07124	0.4
95.04962	0.7
97.02876	1.9
97.06502	0.4
98.21158	0.9
98.98453	2.1
110.36776	0.4
111.04443	29.0
112.04781	0.7
115.03899	0.7
115.83830	0.5
121.02908	0.8
121.03983	2.7
139.03903	100.0
140.04251	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03944	3.4
55.01871	7.3
55.05501	2.3
56.99422	0.5
59.04992	0.8
63.34667	0.5
65.03939	15.2
67.01865	5.8
67.05228	0.6
67.05508	8.3
68.99792	12.6
69.03432	2.9
71.01351	1.8
71.26336	0.8
83.04979	8.0
85.66904	0.7
93.03407	12.5
95.04971	2.3
96.46420	0.6
97.02901	3.1
107.41404	0.7
111.04438	26.9
121.02859	1.9
139.03900	100.0
140.04247	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.62800	0.4
53.03941	1.1
53.48775	0.4
55.01875	5.7
55.05519	2.9
55.06504	0.5
56.96552	0.6
59.89702	0.4
65.03947	10.8
67.01878	2.4
67.05504	1.8
68.99795	9.0
69.03432	3.2
71.01355	1.3
71.58186	0.6
78.05289	0.4
79.05476	0.6
83.04992	7.1
93.03413	5.4
93.04493	0.8
95.04961	0.7
95.06072	0.8
97.02905	2.9
97.06541	0.5
98.21107	0.6
98.97562	0.5
98.98466	3.3
111.04456	27.4
116.98608	0.6
118.33443	0.4
121.02880	0.6
121.03993	2.7
121.10078	0.5
139.03914	100.0
139.11145	0.6
140.04271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.70110	0.6
53.03939	2.4
55.01878	1.1
55.05516	6.7
57.07080	6.3
57.62530	0.6
62.65799	0.8
65.03940	2.5
66.04715	1.9
66.36257	0.6
67.05508	39.6
69.03432	1.7
69.07073	5.9
70.73778	1.4
70.74149	1.3
79.05497	11.6
81.03410	1.4
81.07060	67.2
82.07378	1.3
83.08572	0.7
91.05482	10.0
93.07045	10.9
94.04188	9.9
95.05003	3.8
95.08609	100.0
96.08944	1.9
98.20846	0.8
98.21373	0.9
105.04547	0.8
107.04966	0.9
109.06528	3.6
109.10164	8.1
119.08597	3.7
122.03647	16.1
122.07311	2.0
133.84961	0.8
137.02443	2.3
137.05972	21.7
137.09615	13.1
137.10590	1.2
137.13257	8.2
137.95596	0.7
138.06415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01663	0.6
55.01874	6.5
55.05502	2.6
56.96556	1.0
59.90794	0.7
60.29291	0.6
65.03943	12.0
67.01849	2.7
67.05488	2.1
68.99792	9.0
69.03442	3.4
69.07068	0.8
71.01352	1.2
71.56963	0.9
79.05502	0.7
83.04980	8.6
85.25274	0.5
93.03416	5.1
93.04539	1.3
93.07033	1.3
95.08601	1.3
97.02892	3.2
97.06567	0.8
98.97556	0.8
98.97902	0.7
98.98468	7.1
111.04448	33.0
116.97249	1.5
116.98619	1.0
121.02995	0.6
121.04006	2.0
121.10173	1.0
134.99670	0.8
139.03906	100.0
139.11163	1.4
140.04265	1.4
158.01366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03948	3.8
55.01876	2.1
55.05517	2.9
65.03943	2.9
66.04727	4.8
67.05505	35.1
69.03435	2.4
69.07071	2.2
78.73636	0.7
79.05502	9.2
80.51138	0.6
81.03410	5.2
81.07057	16.6
90.96795	1.1
91.05482	20.9
93.07052	7.4
93.71739	0.7
94.03591	1.5
94.04193	29.0
94.07835	1.0
95.04992	4.6
95.08604	12.8
95.09158	1.1
103.05447	1.5
104.06290	1.1
105.03364	0.9
105.04488	1.2
107.04958	25.4
107.08590	1.9
109.02894	1.4
109.06525	8.2
109.10154	38.4
117.07013	2.0
119.04921	1.0
119.08588	17.4
121.06519	10.2
122.03655	40.5
122.07288	100.0
123.07649	2.2
127.03927	1.7
135.08044	3.9
137.02357	8.0
137.03473	3.8
137.05980	59.9
137.09618	88.9
138.06367	1.3
138.09929	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02383	0.9
53.03951	3.5
55.01865	2.1
55.05517	3.1
57.07079	0.9
63.64275	0.5
65.03934	2.6
66.04726	4.6
67.05507	31.5
67.88848	0.7
69.03431	1.5
69.07068	2.0
71.57248	0.8
77.03927	0.9
77.59776	0.6
79.05492	8.3
81.03405	3.3
81.07057	14.7
91.05483	18.0
93.03387	0.7
93.07042	6.9
94.04192	36.1
94.07828	1.1
95.04533	0.6
95.04986	6.5
95.08613	13.2
98.21157	0.7
103.05459	1.7
104.06300	1.1
105.04479	1.0
107.04955	22.2
107.08601	1.7
109.02901	1.1
109.06541	5.1
109.10161	33.7
115.05479	0.7
117.07039	2.1
119.04993	1.1
119.07776	1.2
119.08584	14.4
121.06509	9.2
122.03655	44.4
122.07291	100.0
123.04025	1.2
123.07674	1.4
127.03936	1.3
135.08096	3.9
137.02373	6.3
137.03484	3.0
137.04852	0.9
137.05984	70.8
137.09619	88.5
138.06358	1.0
138.09964	2.6
139.07524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
52.07351	1.3
53.03942	5.8
55.01860	2.6
55.05514	7.2
55.56308	0.9
56.27354	1.0
57.03449	1.4
57.23778	1.0
60.76192	1.1
65.03933	4.8
66.04711	1.4
67.05507	68.0
68.05820	1.2
69.03433	2.3
69.07060	3.2
71.48267	1.9
77.03927	1.7
79.05499	13.3
80.06268	1.2
81.03419	5.6
81.07065	22.7
82.07999	1.1
83.04971	3.4
91.05487	36.2
91.09000	1.1
93.07050	8.2
94.04201	13.9
94.07803	2.6
95.04981	16.1
95.08614	11.2
97.06509	1.1
103.05473	3.1
105.04526	1.2
107.04960	29.5
107.08585	5.1
108.05738	1.7
109.06528	49.0
109.10159	51.5
112.76322	1.2
114.30341	1.2
117.07015	3.7
119.06086	2.1
119.08593	20.0
121.06531	9.5
122.03664	14.6
122.07293	96.2
123.07636	1.2
134.98286	1.0
135.08070	3.8
137.02451	1.7
137.05981	25.1
137.09621	100.0
137.21712	1.1
138.09949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.00724	0.4
53.03944	2.7
55.01874	1.8
55.05518	2.3
65.03948	2.5
66.04720	5.8
67.05507	29.1
68.07412	0.4
68.99821	0.5
69.03431	1.6
69.07079	1.3
71.08502	0.5
71.08825	0.7
77.03941	1.4
79.05495	10.0
80.05834	0.4
81.03421	4.7
81.07059	12.7
81.07518	0.8
91.05489	17.9
91.06078	0.9
93.07047	4.2
94.04189	44.3
94.07828	1.4
95.04448	0.6
95.04982	4.3
95.08615	6.8
98.21014	0.6
103.05481	1.6
104.06279	1.0
105.04527	1.1
105.07044	0.5
107.04959	22.9
107.08621	1.7
109.02876	0.6
109.06516	4.2
109.10158	31.2
110.10497	0.6
117.06992	2.0
119.04934	1.2
119.07944	0.3
119.08582	13.7
121.06518	8.1
122.03654	64.7
122.07288	85.9
123.03987	0.8
123.07622	1.0
127.03916	1.3
135.04388	0.9
135.08073	3.5
137.02370	7.5
137.03700	2.5
137.05981	100.0
137.09613	79.1
138.06328	1.6
138.09981	1.8
139.07587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03940	6.0
53.88674	3.3
55.01880	7.8
55.05508	11.3
55.19296	3.4
57.03426	6.9
61.34300	2.9
65.03934	11.0
67.05506	100.0
69.03448	15.7
69.07094	5.0
71.04978	4.0
73.19737	2.8
77.03937	3.2
79.05497	36.6
81.03422	7.2
81.07056	48.1
91.05483	68.9
93.07043	70.4
94.04182	36.3
95.04985	27.0
95.08606	50.6
98.21373	13.5
107.04956	6.2
108.59250	3.5
109.06493	25.0
109.10158	25.2
110.06041	5.0
118.87542	3.9
119.04918	5.4
119.08577	14.5
120.04459	5.1
122.03657	32.6
122.07266	7.1
137.02470	23.1
137.03378	4.1
137.05959	77.4
137.09619	62.0
138.01787	5.2
138.05550	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01855	4.2
55.05509	10.5
65.03931	6.6
66.04725	2.6
67.05505	92.1
69.03425	7.4
69.07054	5.0
71.01466	3.4
79.05495	14.8
80.06268	1.9
81.03413	7.1
81.07056	42.5
91.05483	42.4
93.07043	15.0
94.04195	24.6
94.07818	2.9
95.04968	21.4
95.08623	20.1
104.06196	2.6
105.06989	2.5
107.04953	27.6
107.08598	25.7
108.05769	1.9
109.06520	64.8
109.10157	64.7
117.07035	5.1
119.06061	4.0
119.08593	29.1
121.06520	10.2
122.03660	18.2
122.07288	93.1
135.08064	2.8
137.02478	2.6
137.05988	31.3
137.09622	100.0
138.09966	2.6
148.50175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03931	4.6
55.01856	1.9
55.05515	11.6
58.25929	1.5
62.03956	1.6
65.03929	7.8
66.04709	2.7
67.05506	100.0
68.05809	1.9
69.03442	8.4
69.07053	7.3
71.48129	2.9
79.05497	14.6
80.06257	1.8
81.03399	4.0
81.07059	31.1
91.05484	44.6
93.07037	17.9
94.04194	17.9
95.04967	18.6
95.08613	19.8
105.07037	8.7
107.04949	5.6
107.08591	54.8
108.05726	1.8
109.06526	58.1
109.10155	61.2
117.07004	4.0
119.06063	6.9
119.08584	21.9
120.65313	1.7
122.03007	1.6
122.03672	19.8
122.07309	9.0
137.02359	4.6
137.05984	31.5
137.09612	40.9
138.09946	2.8
140.08243	1.5
149.92047	1.5
155.44269	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.66000	0.5
51.94902	0.6
53.03947	2.7
55.05516	2.5
65.03941	1.7
66.04727	1.1
67.05507	30.5
69.03432	1.8
69.07067	2.3
69.99950	1.1
70.00346	1.6
79.05491	6.8
81.03449	1.2
81.07061	11.6
87.44444	0.6
91.05481	17.7
93.07053	6.5
94.04184	5.3
94.07802	1.4
95.04969	4.5
95.08612	8.7
98.20837	1.4
98.21382	1.0
103.05472	1.7
104.06262	0.8
105.04530	1.1
107.04957	22.7
107.08587	2.0
109.06519	3.7
109.10156	31.4
117.07023	2.0
119.04876	0.7
119.08583	15.5
121.06497	8.6
122.03677	7.1
122.07291	100.0
123.07631	1.7
135.08081	5.2
137.02512	3.0
137.05971	10.0
137.09619	88.6
138.09953	2.0
147.47734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02388	0.6
51.48412	0.2
53.03951	1.2
55.01862	0.3
65.03933	1.9
66.04726	7.7
67.05513	0.4
69.43641	1.5
69.44073	0.7
77.03929	1.1
77.22330	0.2
79.05496	4.9
81.07057	1.8
91.05477	4.4
94.04189	52.0
95.04477	0.5
95.04987	1.0
98.21036	1.1
98.21593	0.3
105.03378	0.6
105.04507	0.6
107.04967	2.1
109.06544	0.9
122.03651	69.6
123.03994	1.6
135.04449	0.6
137.05980	100.0
138.06325	2.0
147.59784	0.3
155.27516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.72173	0.5
51.02357	0.5
53.03938	2.5
55.01868	1.9
55.05494	0.7
60.31932	0.6
60.38448	0.5
65.03925	2.3
66.04726	6.0
67.05508	5.2
69.03415	0.8
69.07095	0.5
69.65914	3.5
71.01320	0.6
75.57191	0.5
77.03922	0.8
78.04648	0.5
79.05492	6.7
81.03420	4.5
81.07056	6.3
91.05482	7.6
93.07037	2.4
94.04188	46.3
95.04448	0.6
95.04967	2.4
95.08609	4.4
97.92065	0.5
98.21314	1.4
105.03398	1.0
107.04948	2.3
109.06531	4.1
109.10143	1.9
119.04959	1.5
122.03650	65.4
122.07304	1.6
123.04004	1.1
127.03954	1.2
135.04553	0.9
137.02364	7.2
137.05975	100.0
137.09534	2.9
138.06316	2.3
149.61191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02388	0.7
53.03949	2.5
55.01864	1.5
55.05504	2.2
59.77283	0.5
61.28614	0.5
65.03939	3.1
66.04369	0.5
66.04730	7.1
67.05171	0.9
67.05509	15.4
69.03421	1.1
69.07066	0.8
69.91247	1.3
69.91640	1.1
75.85358	0.6
77.03925	1.4
79.05499	6.6
80.06341	0.6
81.03410	2.5
81.07064	8.5
91.02799	0.4
91.05487	16.3
93.07053	3.2
94.04193	47.1
95.01328	0.8
95.04996	6.5
95.08624	4.4
96.67948	0.5
98.20923	1.1
98.21437	0.7
103.05428	0.6
105.03419	0.9
105.04491	0.6
105.07036	1.2
107.04948	5.5
107.08622	3.9
107.31692	0.5
108.05753	0.8
109.06521	11.1
109.10157	10.6
117.06982	1.0
119.08575	3.6
121.06487	1.2
122.03658	64.7
122.07302	8.7
123.03941	0.6
127.07555	0.5
137.02519	3.2
137.05983	100.0
137.09605	14.8
138.01767	0.5
138.06322	2.2
139.39319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02390	0.7
53.03953	2.1
55.01862	2.0
55.05511	1.0
64.15136	0.4
65.03932	2.2
66.04727	6.7
67.05506	13.3
68.99802	0.4
69.03429	1.2
69.07086	0.6
69.74368	0.3
70.92070	0.7
70.92416	0.7
77.03954	1.2
79.05495	6.6
81.03419	3.4
81.07070	7.4
88.32974	0.4
91.05486	11.2
93.07060	2.7
94.04192	45.7
94.07827	0.5
95.05005	2.6
95.08617	4.9
103.05474	1.3
104.06246	0.5
105.03375	0.8
105.04504	0.4
107.04350	0.3
107.04953	12.0
107.08580	0.9
109.06539	2.7
109.10158	15.4
117.07010	0.8
119.04960	0.4
119.08590	7.4
121.06496	4.0
122.03655	61.7
122.07290	40.3
122.08582	0.5
123.03954	0.8
123.07662	0.4
127.03860	0.7
135.04448	0.6
135.08038	1.9
137.02501	4.8
137.03528	2.4
137.05980	100.0
137.09613	37.9
138.06323	1.6
138.09955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.7
51.34291	0.4
51.63327	0.5
53.03948	1.6
55.01881	1.3
55.35007	0.4
65.03941	1.5
66.04723	5.9
67.05507	3.4
69.03426	1.1
70.51258	0.5
77.03942	0.9
79.05497	6.5
81.03421	1.0
81.07062	7.1
91.05484	6.6
92.50928	0.4
93.07035	1.3
94.04191	51.0
95.04443	0.8
95.04976	2.5
95.08604	2.7
97.31497	0.5
98.20976	3.3
105.04539	0.5
107.04967	2.2
109.06506	2.0
109.10105	1.1
110.06023	0.5
119.04986	0.8
122.03651	66.5
122.07275	1.4
123.03993	1.6
135.04362	0.6
137.02446	2.1
137.05978	100.0
137.09596	2.2
138.01810	0.5
138.06335	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96558	0.8
57.03439	0.5
58.99858	0.5
67.02991	0.4
68.05013	0.2
69.03428	0.4
71.17176	0.5
73.91518	0.2
79.77116	0.2
80.05005	0.4
81.03461	0.3
81.07046	0.2
84.22461	0.2
86.50928	0.2
90.05560	0.3
90.50420	0.2
91.05479	1.9
92.02483	0.8
92.04987	0.3
93.59872	0.2
94.04058	4.0
103.02510	0.4
105.53581	0.2
109.01086	0.6
109.05121	0.5
112.05065	0.2
113.00882	1.5
119.03549	11.8
119.04860	0.4
122.03639	0.4
130.63930	0.3
131.01910	10.2
132.01988	0.4
136.02185	4.7
136.06190	100.0
137.02386	0.2
137.04591	7.0
137.05753	0.5
137.06596	0.9
145.03557	0.3
149.02950	1.8
154.03474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.92015	1.3
53.03949	7.1
55.01870	1.4
55.05512	8.6
57.07079	1.9
65.03938	5.8
67.05497	5.3
69.07059	3.4
69.43352	8.6
77.03944	2.0
79.05062	2.1
79.05495	36.0
79.49076	1.4
81.07054	4.6
89.03921	10.6
91.05483	72.3
93.07043	54.1
93.25317	1.4
95.04982	10.7
97.26212	1.4
98.20957	5.6
103.05466	2.2
105.04503	2.0
105.07028	32.5
106.07863	1.7
107.04930	11.0
107.08593	100.0
108.08904	2.0
109.06494	8.6
115.05486	9.2
117.03371	3.6
117.06999	8.3
119.06070	4.9
119.08585	26.8
120.09361	8.4
131.02289	1.4
133.10109	1.9
135.04422	11.5
135.08064	26.3
135.10683	2.5
135.11691	35.2
136.02170	7.8
136.06169	4.5
136.07550	1.6
138.86554	1.4
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
50.85352	1.6
53.03956	12.3
55.01871	4.0
55.05510	11.4
65.03934	5.4
67.05505	9.3
69.03428	2.6
69.07072	4.2
70.62644	2.4
74.43797	1.7
77.03922	2.9
79.05054	3.2
79.05500	51.8
79.31367	1.5
81.07090	8.9
89.03917	5.9
91.05486	82.6
92.06274	2.1
93.06464	3.7
93.07050	63.7
95.04991	13.1
98.21088	3.8
103.05436	1.9
104.06279	1.7
105.04535	3.4
105.07034	31.2
105.63120	1.9
107.04953	13.0
107.08600	100.0
109.06516	9.8
115.05488	9.4
117.03429	1.8
117.07008	8.8
119.06090	6.0
119.08569	23.5
120.09373	5.5
133.10077	2.2
135.04424	12.1
135.08064	39.6
135.09090	2.2
135.11684	37.9
136.02185	18.1
136.06206	7.2
136.12117	1.8
137.09608	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.49640	1.1
53.03939	5.2
53.04869	1.2
55.05499	8.5
65.03946	3.2
67.05518	3.3
68.58246	1.1
69.07059	2.8
69.98952	2.6
69.99343	3.1
70.85306	1.1
73.16955	1.4
79.05492	23.1
81.07066	1.4
91.05481	55.5
92.05765	1.6
93.07046	49.5
95.04979	6.3
98.20992	2.6
103.05475	2.2
105.04476	2.1
105.07033	32.6
106.07814	2.3
107.08595	100.0
108.08921	1.5
109.06496	10.0
113.21852	1.4
115.05450	1.3
117.07007	3.5
119.06034	4.7
119.08588	19.5
120.09364	7.2
133.10091	1.8
135.08040	5.6
135.11696	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.73972	2.0
53.03937	7.9
55.01871	3.9
55.05519	5.1
61.66550	2.0
65.03916	5.8
67.05495	6.8
68.34886	2.1
69.07053	3.5
71.12458	3.1
79.05492	45.6
81.07047	4.4
89.03919	2.9
91.05486	74.9
92.06284	2.4
92.28532	1.9
93.07046	53.7
95.04989	10.8
98.21099	3.2
103.05469	2.1
105.07034	32.4
107.04943	9.8
107.08599	100.0
109.06512	12.0
115.05470	11.7
117.07008	7.2
117.88567	2.2
119.06063	5.1
119.08568	24.1
120.09347	6.3
133.10182	2.2
135.04419	9.2
135.05515	2.5
135.07091	3.8
135.08061	48.0
135.11691	39.4
136.02182	12.4
136.06172	7.2
136.08446	2.5
147.83430	2.1
148.52988	2.7
150.36917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	7.3
55.01862	2.4
55.05505	8.3
57.07064	2.2
65.03929	4.0
67.05504	3.2
69.07072	2.2
71.12124	1.3
71.12454	1.5
71.99037	1.0
77.03948	1.1
79.05056	2.0
79.05497	26.7
81.07054	3.1
91.05488	63.5
92.05797	1.5
93.07051	49.0
95.04993	8.6
95.08601	1.4
99.35514	1.0
103.05466	2.1
105.04498	2.1
105.07032	28.0
107.04963	4.7
107.08600	100.0
108.08896	2.1
109.06541	7.5
115.05479	3.2
117.07019	5.0
119.06065	3.0
119.08591	26.3
120.09385	7.7
133.10173	1.8
135.04408	1.6
135.08073	16.0
135.10678	1.8
135.11696	36.4
136.02150	4.7
136.06206	2.7
137.09636	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02347	0.8
53.03942	4.3
55.01860	4.3
55.05503	2.8
64.25320	0.8
65.03945	7.1
67.05511	5.5
69.03415	1.6
69.07050	1.3
71.57932	1.0
72.47704	0.9
77.03940	1.6
79.05497	38.1
79.05961	1.8
80.05025	1.1
80.05828	1.1
81.07069	3.1
91.05482	100.0
92.05790	2.0
92.06294	1.8
93.07042	19.9
95.04952	7.8
105.04503	1.3
105.07034	26.6
107.04958	11.4
107.08598	59.9
108.08939	1.7
109.01095	3.0
109.06519	11.5
115.05456	80.6
116.06271	4.1
117.07022	39.3
119.03535	1.4
119.06087	6.6
119.08582	2.9
120.05712	2.1
121.20918	0.9
124.05273	1.3
126.34116	1.0
132.08150	0.9
133.06500	3.0
135.04466	6.9
135.08060	78.4
135.11668	8.5
136.02174	30.9
136.03828	1.5
136.06187	19.0
136.07497	2.2
136.08427	2.3
137.04567	2.1
146.73996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	6.9
54.12911	0.8
55.01863	1.4
55.05515	11.9
65.03941	1.6
67.05503	7.5
69.07075	5.0
69.76598	2.3
69.77027	3.1
77.03935	0.8
79.05497	33.4
81.07069	9.5
88.80088	0.8
91.05486	47.1
93.07050	70.6
94.07352	1.1
95.04978	8.7
98.20889	2.3
100.75576	0.8
105.04537	2.1
105.07034	19.1
106.04127	1.0
107.04939	2.4
107.08600	100.0
108.08957	2.3
109.01077	1.2
109.06528	7.6
115.05460	0.9
117.07024	2.1
119.06068	2.9
119.08564	9.5
120.09346	3.0
133.10062	1.0
135.08061	3.7
135.09016	0.9
135.11700	27.6
136.02170	7.0
136.06189	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	8.7
55.01849	1.3
55.05512	14.3
62.13330	1.1
65.65147	1.3
67.05508	24.6
69.07063	9.0
69.79335	1.3
71.57205	1.8
77.03883	1.5
79.05496	71.6
81.07059	26.2
91.05486	30.4
93.07045	100.0
95.04967	10.6
105.04525	3.0
105.07039	9.8
107.04949	3.6
107.08599	71.0
108.08886	1.4
109.06506	3.3
119.06085	2.4
119.08567	2.7
135.04391	2.2
135.08076	5.9
135.11702	51.5
135.12711	3.1
136.02150	8.8
136.06166	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	134.0813
Annotation	1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
53.03934	0.9
55.05502	0.8
56.04785	0.8
56.05036	11.3
57.03434	4.3
58.06590	0.9
60.04526	25.9
63.78263	0.5
65.27725	0.6
68.05030	67.2
69.03430	40.7
69.03751	0.5
70.06592	14.3
71.04996	2.0
71.32109	1.2
71.32469	1.0
72.04501	2.3
72.08155	5.3
73.02917	1.1
80.05019	24.8
80.05483	1.4
81.03407	1.2
82.69203	0.6
87.04444	1.2
88.07625	2.3
90.09202	3.6
98.06058	59.3
98.21185	0.9
99.06448	0.7
101.00886	1.0
107.73059	0.6
116.07095	30.7
116.80637	0.7
117.86212	0.6
119.01884	0.7
131.01874	0.7
134.08128	100.0
134.11771	9.4
135.08472	1.2
142.03467	0.9
149.31177	0.6
149.36014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03945	2.8
55.01861	1.8
55.05504	1.3
65.03938	2.7
67.05511	2.1
69.07076	0.6
69.75737	2.5
77.03909	0.5
79.05495	22.4
81.03416	0.5
81.07038	1.4
89.03918	1.4
91.05483	35.5
92.05786	0.7
92.06297	1.1
93.07046	8.6
95.04972	5.2
98.21135	1.4
103.05460	1.1
105.04536	1.1
105.07026	9.6
107.04958	6.9
107.07858	0.8
107.08595	17.1
109.06525	4.4
112.31833	0.4
115.05453	8.3
117.07008	2.7
119.06073	2.0
119.08586	3.1
120.05714	1.7
120.09398	0.6
133.78745	0.4
135.04460	7.3
135.08057	100.0
135.11662	5.4
136.02165	6.4
136.06177	2.1
136.07466	0.8
136.08452	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	135.0806
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
50.01589	2.2
52.16034	1.9
53.03951	19.6
54.23500	1.6
55.01866	6.5
55.05515	11.6
57.03442	2.8
59.44029	1.8
62.19373	1.6
65.03941	5.8
67.05509	14.0
69.07069	2.8
71.41480	2.5
77.03941	3.5
79.05496	100.0
80.05795	1.9
81.03407	2.0
81.07060	10.1
89.03918	1.8
91.05488	67.0
92.06269	5.2
93.07046	56.7
95.04967	23.5
103.05475	79.8
105.04532	5.7
105.07036	92.9
106.07343	2.2
107.04961	44.4
107.08603	59.5
109.06513	5.1
115.05477	11.3
117.07009	8.0
119.04985	3.2
119.06027	2.8
119.08585	6.8
120.05744	15.4
120.09399	2.3
127.72154	1.4
135.04448	11.6
135.08063	99.8
135.11676	27.3
136.02159	21.9
136.05215	1.6
136.06194	6.8
141.13264	1.5
145.75337	1.4
148.68056	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
52.91615	0.3
53.03951	1.7
55.01870	0.4
55.05516	2.7
59.30504	0.2
65.03933	0.4
67.05505	0.9
70.47803	0.3
74.62605	0.3
77.03919	1.1
78.04723	0.4
79.05493	10.9
91.05485	23.9
92.05784	0.5
92.06285	0.7
93.07047	5.5
95.04974	2.5
96.76665	0.3
103.05470	6.0
105.03376	0.8
105.04542	0.8
105.07034	74.0
106.07377	1.3
107.08600	1.8
115.05457	8.2
116.06276	1.4
117.07027	9.4
118.04166	1.0
118.07813	8.8
129.07002	0.6
131.08586	8.2
133.02841	0.9
133.06520	7.9
133.10133	100.0
134.10448	2.7
149.82314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
52.02922	0.5
53.03938	1.5
55.05516	2.4
62.94746	0.4
65.03928	0.6
65.51191	0.4
67.05499	0.6
69.98993	2.1
74.32990	0.5
77.03939	0.5
79.05502	6.6
91.05487	21.5
92.05797	0.5
92.79581	0.5
93.07053	5.6
94.58189	0.5
95.04961	1.9
98.21249	1.2
103.05470	4.1
105.07034	54.3
106.07356	1.0
107.08572	1.6
112.23233	0.5
113.93131	0.5
115.05457	6.7
116.06223	1.2
117.07028	8.7
118.07813	9.1
129.07007	0.8
131.04988	0.5
131.08568	7.6
133.06525	1.4
133.10135	100.0
134.10451	2.3
136.21034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03943	1.4
55.05515	2.9
62.62199	0.4
65.03944	1.0
67.05532	0.5
69.26489	1.3
69.26906	2.6
71.32309	0.4
74.66043	0.4
77.03912	0.9
77.57643	0.5
79.05057	0.7
79.05497	10.1
91.05484	25.4
93.07050	7.2
95.04963	2.4
98.21451	1.0
103.05472	5.0
105.07034	67.2
106.07371	1.0
107.08576	1.6
115.05452	8.4
116.06224	1.8
117.07028	10.3
118.04209	0.4
118.07810	10.5
131.07597	0.5
131.08574	8.7
133.06554	3.1
133.10133	100.0
134.10435	2.6
137.72279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.03481	0.3
54.09892	0.3
55.01876	0.3
55.05508	0.4
56.05038	9.8
56.96558	0.5
57.03440	2.9
60.04530	13.4
61.15688	0.4
68.05032	61.9
69.03432	35.4
69.05363	0.5
70.02953	0.8
70.06596	10.0
71.04997	1.0
71.43339	0.3
71.55889	0.4
72.04514	1.9
72.19470	0.3
73.02951	0.3
74.02448	6.4
74.73225	0.3
78.52953	0.4
79.51157	0.5
80.05021	24.6
81.03417	0.8
82.01481	0.4
86.06072	1.2
87.04482	0.5
87.25574	0.3
88.03995	3.6
88.07630	0.9
88.51701	1.9
89.01766	0.6
89.51580	0.6
96.04482	0.4
98.06059	65.6
99.06403	0.5
100.02490	0.9
101.00880	0.3
105.19143	0.3
116.03462	0.4
116.07098	25.0
119.01916	0.7
121.01624	0.4
125.99237	1.3
126.49288	0.3
128.49541	1.5
128.99623	0.4
129.49358	0.7
134.08131	100.0
135.08450	0.8
137.50017	5.0
138.00069	1.0
138.49905	1.3
142.03551	0.8
149.00868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.03481	0.3
54.09892	0.3
55.01876	0.3
55.05508	0.4
56.05038	9.8
56.96558	0.5
57.03440	2.9
60.04530	13.4
61.15688	0.4
68.05032	61.9
69.03432	35.4
69.05363	0.5
70.02953	0.8
70.06596	10.0
71.04997	1.0
71.43339	0.3
71.55889	0.4
72.04514	1.9
72.19470	0.3
73.02951	0.3
74.02448	6.4
74.73225	0.3
78.52953	0.4
79.51157	0.5
80.05021	24.6
81.03417	0.8
82.01481	0.4
86.06072	1.2
87.04482	0.5
87.25574	0.3
88.03995	3.6
88.07630	0.9
88.51701	1.9
89.01766	0.6
89.51580	0.6
96.04482	0.4
98.06059	65.6
99.06403	0.5
100.02490	0.9
101.00880	0.3
105.19143	0.3
116.03462	0.4
116.07098	25.0
119.01916	0.7
121.01624	0.4
125.99237	1.3
126.49288	0.3
128.49541	1.5
128.99623	0.4
129.49358	0.7
134.08131	100.0
135.08450	0.8
137.50017	5.0
138.00069	1.0
138.49905	1.3
142.03551	0.8
149.00868	0.7
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
53.03943	0.9
54.52687	0.4
55.05502	1.7
65.03933	0.8
67.05508	0.8
67.96310	0.4
69.78570	0.9
69.78986	2.0
77.03905	0.5
79.05496	7.5
91.05483	21.1
93.07030	5.0
95.04969	1.9
98.21191	1.5
103.05475	4.4
103.77846	0.5
105.07033	51.4
107.08612	1.2
115.05453	8.2
116.06236	1.4
117.07019	8.7
118.07818	6.9
124.37376	0.5
127.67245	0.4
129.06976	0.7
131.08572	7.3
133.10133	100.0
134.10493	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.05515	2.4
65.03922	0.6
67.05499	1.0
69.33455	0.4
70.85424	1.1
70.85769	0.7
77.03901	0.6
79.05494	9.2
91.05481	22.7
93.07044	6.3
95.04953	2.4
103.05475	5.4
105.04509	0.9
105.07034	56.5
106.07367	1.0
107.08582	1.5
115.05466	6.8
116.06207	0.8
117.07021	9.0
118.07815	9.4
129.07007	0.8
131.08569	7.3
133.06575	1.1
133.10133	100.0
134.10486	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03933	2.0
55.05516	2.5
67.05485	1.0
70.70473	0.8
70.70811	1.1
79.05496	7.3
80.86629	0.6
87.87489	0.4
91.05482	21.9
92.06299	0.6
93.07040	5.4
95.04967	1.8
98.21066	0.7
103.05464	4.4
105.07030	51.8
106.07405	0.9
107.08585	1.5
115.05462	7.6
116.06241	1.2
117.07026	9.3
118.07806	9.2
124.45161	0.5
131.08566	7.2
133.10129	100.0
134.10419	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03944	2.0
55.05509	3.0
56.39700	0.3
65.03948	0.5
67.05511	1.2
70.86790	0.8
77.03936	0.6
79.05496	8.3
85.29063	0.3
89.40958	0.3
91.05482	23.7
92.06283	0.6
93.07050	6.1
93.13086	0.3
95.04973	2.1
98.21009	0.4
102.29674	0.3
103.05466	4.6
105.07033	58.4
106.07381	1.4
107.08590	1.5
115.05460	7.3
116.06260	1.9
117.07020	9.3
118.07805	10.0
129.07027	0.4
131.07588	0.5
131.08568	7.4
133.06514	1.1
133.10133	100.0
133.58727	0.3
134.10487	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.03181	0.3
53.03932	0.7
55.05511	1.0
62.50739	0.2
67.05499	0.5
71.09622	0.7
77.03860	0.3
79.05496	4.9
82.15669	0.3
91.05481	11.6
92.05817	0.5
93.07056	1.8
95.04966	0.9
98.20911	0.3
103.05473	3.0
104.76408	0.2
105.07034	100.0
106.07362	2.5
109.13660	0.2
110.52942	0.2
115.05442	0.9
116.06168	0.3
117.07005	1.6
118.07832	0.8
131.08592	2.0
131.17075	0.2
133.06514	1.1
133.07555	0.6
133.10135	13.2
133.88171	0.3
134.06001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02378	1.2
53.03953	2.9
55.01872	1.0
55.05500	2.8
57.03427	0.5
60.15835	0.5
65.03943	1.2
66.04737	0.5
67.05503	1.0
69.03411	0.5
71.56804	0.6
77.03941	2.4
79.05495	17.7
79.05955	0.9
88.48796	0.5
91.05482	24.9
93.07050	4.8
95.04970	3.9
103.05469	10.6
104.06268	0.5
105.03412	2.2
105.04522	1.2
105.07034	100.0
106.07355	2.3
107.08604	1.7
115.05454	7.8
116.06230	1.5
117.07029	8.4
118.04159	1.3
118.06557	0.5
118.07813	9.1
129.07024	0.8
131.04961	0.5
131.08569	7.9
133.02887	2.1
133.06511	22.8
133.10135	85.5
134.10466	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.54907	0.4
53.03935	0.6
55.01865	0.6
55.05502	0.6
56.05045	0.4
56.96564	6.3
57.03431	1.7
57.05817	0.9
58.06602	0.7
59.05005	0.7
61.02918	0.6
67.05507	0.7
69.03429	1.8
69.07072	24.7
71.04990	0.7
71.55681	0.7
72.93798	0.5
73.02914	1.3
73.39533	0.4
81.03429	2.1
81.99959	0.5
85.02910	1.7
86.06093	0.4
86.09708	100.0
87.10049	1.6
97.02882	2.7
98.97583	1.8
101.00905	0.6
109.02894	0.5
110.97575	0.6
115.02470	0.5
116.02507	1.1
116.98621	1.2
117.02193	1.2
117.03994	0.8
118.04128	1.1
119.00210	0.9
119.01894	1.8
119.03741	1.1
120.01989	0.8
121.01690	0.7
128.98596	0.7
131.01878	0.6
131.96213	0.8
132.01982	0.7
132.10187	0.6
134.03568	1.1
135.03268	1.2
135.05064	0.7
136.05153	1.6
137.01186	0.4
137.04799	1.3
144.02063	0.6
145.01724	0.6
147.35490	0.4
149.08148	0.4
149.97205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.42225	0.6
53.03943	3.6
55.01877	3.4
55.05503	1.6
56.59111	0.6
63.78748	0.6
65.03927	0.6
66.04717	1.9
67.57300	0.7
68.05047	0.8
68.72098	0.6
69.47270	2.2
69.47695	2.3
72.75149	0.6
77.03933	2.1
79.05494	16.9
89.03921	1.0
90.04729	3.4
91.05483	8.8
93.07055	1.3
95.04963	2.0
98.20739	1.1
103.05470	14.3
105.03388	2.3
105.07035	100.0
106.06631	1.0
106.07383	1.7
107.04921	1.7
110.25732	0.6
115.05441	5.2
117.07069	0.7
117.65050	0.6
118.04166	12.4
118.07778	1.7
130.30605	0.6
131.04951	1.3
131.08542	3.1
132.74611	0.6
133.02834	1.8
133.06502	77.0
133.10130	15.2
134.06842	2.2
134.08109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02379	0.3
53.03950	0.4
55.01875	0.4
55.05505	0.9
65.03953	0.3
70.86552	0.8
77.03911	0.5
79.05493	6.9
91.05482	18.1
92.05810	0.4
92.64262	0.3
93.07064	0.7
95.04971	1.0
103.05486	3.6
105.07034	100.0
106.07367	1.7
115.05462	1.4
117.07040	1.4
118.04229	0.5
118.07809	1.1
123.08100	0.4
131.08545	3.9
133.02878	0.6
133.06496	3.9
133.07568	0.8
133.10138	20.5
134.10435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03949	2.5
55.05505	0.6
57.07081	0.8
65.03949	0.8
67.05500	5.1
69.03424	1.1
69.37923	3.6
70.03764	1.3
71.04990	0.6
83.04983	1.9
84.08138	0.6
85.04837	0.6
85.06544	0.7
85.08473	1.8
87.82265	0.4
91.05481	100.0
92.05818	1.5
95.04986	3.7
98.20773	0.7
103.05470	35.6
104.05797	1.4
105.04533	0.7
105.07043	1.2
113.06013	6.1
113.07932	4.9
115.05460	9.9
116.06241	32.4
117.06523	0.5
128.06200	1.6
129.07010	17.4
131.04941	6.1
131.08568	97.4
132.08949	2.6
133.06494	1.0
143.06030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02386	1.0
53.03703	0.3
53.03950	5.8
54.74976	0.3
69.07076	0.4
71.56596	0.4
77.03921	1.4
78.03420	0.4
79.05486	0.7
85.23478	0.3
86.09693	1.6
90.90370	1.0
91.05464	0.5
95.04971	7.3
95.05556	0.6
95.92185	0.3
96.04501	1.5
103.05467	0.5
104.04995	69.2
105.03412	1.4
105.04517	2.5
105.05325	1.0
105.07017	2.8
117.05727	0.3
132.04456	100.0
133.04814	2.1
133.06487	2.6
133.10153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
52.99039	0.6
53.03974	0.7
56.55862	0.6
57.25335	0.5
69.07046	0.6
71.15338	1.1
72.93781	0.8
73.67597	0.6
79.05489	2.0
86.06055	0.9
86.09711	4.7
90.90409	3.1
91.05486	3.2
93.05783	0.6
95.04973	1.0
96.51608	0.6
98.21126	1.2
99.47517	0.6
103.05447	1.2
104.04990	4.4
104.05696	0.8
105.07029	11.9
108.91450	0.8
115.04678	1.1
115.05464	19.9
115.06268	1.1
117.05764	60.2
118.06082	1.0
130.06552	8.1
131.07347	6.6
132.04462	4.4
132.08095	100.0
133.06540	3.1
133.08452	2.3
133.10103	1.1
143.06017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
51.69556	0.6
53.03947	4.5
55.05511	0.9
57.03439	0.8
57.07057	0.6
58.88534	0.5
65.03945	1.7
67.05510	3.7
69.03429	1.2
69.07082	0.7
70.03770	2.1
70.21902	0.8
70.22253	1.9
77.03931	0.9
81.03413	0.6
83.04988	1.8
84.04527	0.8
85.04861	2.0
85.08479	3.0
86.09733	0.6
89.90618	0.6
91.05483	100.0
92.05823	1.5
95.04971	4.8
98.20859	1.0
98.21385	0.8
102.04685	1.2
103.05471	84.0
104.05813	2.1
105.04510	1.7
105.07051	1.3
113.06013	3.9
113.07262	1.0
113.07944	9.6
115.05447	10.7
116.06245	35.2
128.06226	2.5
128.58395	0.6
129.07008	17.2
131.04935	11.5
131.06914	2.7
131.08566	74.4
132.08919	1.7
133.06523	1.0
143.06058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02383	0.5
53.03948	3.2
55.01874	0.2
69.03430	0.3
70.03761	0.4
71.01273	0.4
71.01617	0.2
77.03928	0.5
81.03426	0.4
85.04839	0.7
85.07958	0.2
85.08485	0.6
86.85826	0.2
90.72416	0.2
91.05486	5.7
95.04971	4.5
102.04701	1.4
103.05471	100.0
104.05800	2.1
105.04503	1.4
113.07948	1.4
115.05507	0.8
116.06255	2.0
129.07027	1.0
131.04935	12.0
131.08554	5.2
132.05266	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.37615	0.7
65.03939	1.2
70.03736	0.9
71.57078	0.6
84.04493	1.2
84.08128	0.9
85.04841	5.1
85.08475	2.7
86.09692	1.7
91.05480	100.0
92.05801	1.4
95.04977	0.9
103.05473	9.9
105.07011	1.4
113.07954	4.5
115.05459	10.0
116.06246	31.9
117.06555	0.6
128.06232	2.2
129.07013	18.2
130.07315	1.2
131.04994	1.9
131.08566	98.4
132.08896	2.1
133.06491	1.4
137.80449	0.6
143.06050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
56.05040	7.0
56.09323	0.7
57.07079	29.2
58.91425	0.7
67.04270	0.7
67.05495	2.3
69.03432	49.2
69.07094	4.1
70.03803	0.9
70.06597	1.4
70.18523	2.3
70.18948	1.2
71.04981	1.7
74.09724	17.4
82.06583	2.9
84.04507	67.7
84.08147	43.2
85.01155	0.8
85.04826	1.4
85.08460	1.4
90.54066	0.6
91.05467	1.1
94.06540	1.3
95.04987	1.6
95.72707	0.6
98.20865	0.8
103.05473	19.4
103.06136	1.5
112.07610	100.0
113.00591	1.0
113.07951	2.5
116.47583	0.7
119.31805	0.9
128.05057	0.7
130.02222	1.3
130.03242	1.5
130.05128	4.9
130.06540	60.5
130.08633	23.0
130.15923	36.8
130.16914	1.5
131.04948	2.9
131.05937	0.8
131.06915	1.9
131.08626	2.0
131.16260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03946	3.4
60.40062	0.2
61.49178	0.2
61.64753	0.2
65.62386	0.2
70.03756	0.2
71.01453	0.6
77.03928	1.1
77.95049	0.2
81.03432	0.3
85.04853	0.2
85.08498	0.2
90.89226	0.2
91.05482	2.9
95.04969	4.7
95.05546	0.2
102.04681	0.9
103.05470	100.0
104.05804	1.8
105.04541	1.5
113.07931	0.5
115.05463	0.3
116.06254	1.2
129.06987	0.5
131.04927	9.3
131.08542	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	0.3
70.78503	0.3
82.01440	0.3
82.99831	1.6
83.01514	0.2
84.36684	0.2
96.04518	0.2
98.21192	0.2
100.02483	0.8
101.00883	23.0
101.02576	1.0
102.00958	0.6
102.02230	0.2
102.63685	0.2
111.40372	0.1
112.03992	0.2
116.31136	0.2
118.03523	0.3
119.01926	100.0
120.01994	2.5
121.02367	0.4
124.02451	0.5
133.03487	1.4
137.02962	29.5
138.03073	0.7
139.03368	0.3
142.03500	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92927	0.2
69.43665	1.4
82.01442	0.3
82.99834	1.8
83.01537	0.4
96.65756	0.2
98.21162	0.7
100.02483	1.1
101.00879	22.0
101.02538	2.2
102.00937	0.2
102.02263	0.2
104.64924	0.2
111.68845	0.2
115.02454	0.2
118.03520	0.4
119.01920	100.0
120.02014	1.6
120.03232	0.2
121.02364	0.4
124.02447	0.5
133.03477	1.1
135.16029	0.2
137.02953	29.7
138.03107	0.5
139.03371	0.2
142.03490	5.4
144.44209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03955	2.0
53.18239	0.7
55.05509	3.8
57.07072	5.8
65.03952	0.9
67.05507	13.5
69.07066	3.9
69.50954	4.6
70.05406	0.5
77.06123	0.7
79.05498	15.0
80.05020	7.1
81.07059	100.0
82.01535	0.6
82.07362	0.8
89.02991	0.5
93.07030	1.8
94.07843	0.9
94.75772	0.6
95.04967	2.5
95.08610	14.5
96.04507	4.3
98.21408	1.7
100.02502	0.6
105.07065	1.3
112.03929	0.7
118.03600	0.8
121.10133	1.4
123.04463	2.1
123.05549	14.7
123.08080	2.4
123.10810	1.3
123.11709	24.6
124.03939	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85710	0.2
56.96537	0.2
58.99876	0.8
60.00654	0.2
65.28818	0.2
69.03435	0.2
69.95853	0.3
69.96266	0.6
70.99854	1.2
75.15196	0.2
77.00916	1.0
80.02026	0.2
82.01453	0.5
82.99826	2.0
83.01503	1.4
84.01191	0.3
89.00899	0.6
89.02592	0.2
95.01933	0.3
98.20916	0.3
98.21455	0.2
100.02483	1.8
101.00885	28.0
101.02549	4.3
102.00966	0.5
102.02229	1.1
103.00620	0.2
115.02396	0.2
118.03535	1.1
119.01923	100.0
120.01992	1.7
120.03282	0.3
121.01634	0.4
121.02371	0.4
124.02454	0.7
124.03951	0.5
133.01617	0.2
133.03491	1.1
137.02959	27.6
138.03088	0.4
142.03503	5.0
144.03235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
50.22753	0.5
53.00294	0.6
53.03945	3.0
55.01880	0.7
55.05510	4.2
57.07078	6.0
64.41663	0.6
65.03938	1.2
67.05507	16.1
68.05032	0.8
69.07069	3.2
71.01560	1.3
79.05495	15.2
80.05022	13.7
81.07059	100.0
82.07389	0.9
93.07060	2.1
94.07861	0.7
95.04980	6.1
95.08606	16.4
96.04493	6.0
100.02492	4.4
100.69999	0.5
106.02941	0.6
108.05727	0.8
108.09364	0.6
112.03957	1.4
116.72756	0.5
118.03537	3.2
119.01921	0.7
121.10155	1.6
123.04461	4.3
123.05552	30.4
123.08069	4.5
123.09083	0.9
123.11709	25.5
124.03951	6.2
124.05917	0.6
124.11998	0.7
140.03423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26342	0.5
53.03945	3.6
55.05508	4.7
57.07068	4.2
59.87299	0.5
61.19895	0.5
65.03938	1.1
67.05505	15.9
69.07073	2.7
70.89680	0.7
70.90013	0.9
70.97537	0.5
76.10760	0.6
78.03466	0.7
79.05492	17.2
80.05019	26.7
81.03428	1.0
81.07056	100.0
82.07399	1.0
91.05498	1.1
93.07055	2.4
95.04366	1.0
95.04971	14.2
95.08605	15.0
96.04491	11.1
100.02472	3.6
101.79576	0.7
104.71101	0.5
105.04527	1.1
105.07002	1.2
106.02906	1.6
108.05692	0.8
108.09402	0.6
112.03971	2.8
118.03528	2.2
119.01915	0.9
121.10143	1.2
123.04497	3.4
123.05550	58.3
123.08070	6.1
123.09187	2.4
123.10802	1.0
123.11703	18.7
124.03955	8.7
124.05917	0.9
124.07597	1.1
137.02946	0.6
140.03453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
52.71791	0.4
53.03952	3.9
55.05512	5.1
57.07078	5.4
64.46233	0.4
65.03944	1.0
66.04718	0.4
67.05504	15.0
68.05021	0.6
69.07063	3.1
69.50761	1.9
69.51205	1.6
78.03436	0.6
79.05494	16.9
80.05023	6.8
80.05813	0.6
81.03459	0.5
81.07058	100.0
82.07390	1.0
86.87138	0.4
93.07038	1.7
94.07854	0.7
95.04970	20.0
95.07701	1.1
95.08611	13.1
95.09229	0.5
96.04495	2.9
96.05309	0.7
98.21504	0.5
100.02460	0.9
105.04516	1.4
105.07033	0.7
106.02903	0.5
108.05764	0.6
108.09429	0.7
112.03951	0.7
118.03534	0.9
121.10154	2.0
123.04444	4.7
123.05553	15.5
123.08076	2.5
123.11707	21.5
124.03950	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03950	2.1
55.01876	0.4
55.05513	5.6
57.07082	5.4
65.03941	1.5
67.05510	14.2
68.05038	0.5
69.07071	2.7
69.24820	3.4
78.03492	0.5
79.05499	15.4
80.05022	12.6
80.05482	0.7
81.03456	0.4
81.07063	100.0
82.07407	0.9
83.08643	0.4
91.05482	0.5
93.07049	2.5
94.07836	0.9
95.04978	5.1
95.06107	0.3
95.08614	15.4
96.04501	5.0
98.21280	1.7
100.02495	2.6
105.04526	0.6
105.07069	0.9
106.02901	0.4
108.09379	1.0
112.03961	1.1
118.03525	1.8
119.01997	0.6
121.10182	1.9
123.04497	1.7
123.05562	26.0
123.08057	3.2
123.11714	25.3
124.03976	4.3
124.07597	0.4
124.12035	0.4
140.03413	0.7
140.22882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.00311	0.4
53.03949	3.2
55.01889	0.7
55.05518	6.2
57.07077	5.9
59.80716	0.4
65.03945	1.3
65.49677	0.4
67.05511	19.2
67.05875	1.0
68.05020	0.4
69.07073	3.1
69.25893	4.0
78.03461	1.0
79.05500	19.1
80.05026	10.4
81.03410	0.6
81.07062	100.0
82.01456	0.7
82.07376	0.7
85.81620	0.4
91.05509	0.8
93.07050	3.9
94.07839	0.8
95.04976	7.8
95.08610	22.4
96.04503	4.2
98.21119	2.1
100.02499	2.4
105.03384	0.8
105.04549	0.5
105.07040	2.4
106.02923	0.9
107.04962	1.2
108.05744	4.7
108.09412	1.3
112.03977	1.2
118.03542	1.6
121.06527	0.6
121.10161	2.1
123.04457	4.2
123.05559	21.2
123.08076	15.1
123.11717	24.7
124.03982	4.3
124.07615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16287	0.4
51.02373	0.5
53.03259	0.4
53.03950	3.1
53.23054	0.4
55.01878	0.6
55.05513	5.0
57.07081	5.2
60.07958	0.4
65.03941	1.7
66.04739	0.5
67.05506	20.4
69.07066	3.8
70.00130	1.5
77.03928	1.0
78.03474	0.7
79.05496	17.0
80.05025	7.1
81.03423	0.8
81.07059	100.0
82.01436	0.5
82.07398	1.2
86.33109	0.5
91.05487	0.8
93.07044	3.5
94.07849	0.8
95.04974	9.1
95.08609	21.1
96.04511	3.3
98.20863	0.7
98.21396	0.7
100.02506	3.1
105.03378	0.9
105.04551	1.1
105.07048	1.9
107.04975	0.9
108.05741	3.2
108.09372	0.8
108.58812	0.4
112.03974	1.2
118.03532	1.8
119.01929	0.7
121.06496	0.4
121.10159	1.3
123.04449	7.9
123.05561	16.6
123.08067	12.0
123.11713	25.4
124.03963	3.6
140.03400	0.7
141.37288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02382	1.3
53.03954	6.6
55.01888	1.3
55.05519	10.5
57.07080	4.7
65.03943	3.0
66.04713	0.8
67.05508	43.8
68.05038	0.8
69.03427	2.3
69.07083	3.6
69.39941	6.5
77.03908	1.2
78.03442	1.4
79.05493	22.7
80.05025	26.2
80.06279	1.8
81.03421	2.1
81.07060	100.0
82.01462	0.9
82.07386	1.1
91.05493	3.0
93.07051	8.1
95.01366	1.1
95.04978	17.5
95.08612	42.8
96.04503	10.2
96.08931	1.0
97.51993	0.8
98.21315	2.7
100.02486	7.3
103.05470	0.9
105.03375	1.0
105.04527	2.2
105.07041	11.0
106.02944	1.6
107.04952	5.3
108.05756	27.6
108.09402	1.2
112.03960	3.6
118.03540	4.6
119.01947	1.9
121.06514	4.8
121.10130	1.3
123.04472	6.7
123.05560	61.5
123.08073	82.6
123.11711	25.2
124.03960	11.2
124.05906	1.8
124.07590	1.2
124.08395	1.0
137.24033	0.7
140.03397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03951	5.4
55.01865	1.1
55.05263	1.1
55.05513	17.4
57.07073	0.8
63.87194	0.6
65.03939	4.1
67.05509	81.8
68.05830	0.9
70.75037	1.8
79.05499	8.4
79.10305	0.7
80.05029	6.2
80.06271	2.1
81.03425	8.2
81.07061	21.2
91.05476	4.4
93.07050	16.9
95.04973	45.3
95.08610	55.8
96.04502	2.7
96.08937	0.8
98.21368	0.8
100.02488	1.9
103.05451	1.2
105.04511	1.4
105.07033	3.4
107.04971	1.6
108.05749	6.4
109.34389	0.7
112.03978	0.7
118.03519	1.0
121.06522	0.7
123.04491	2.7
123.05563	13.3
123.08075	100.0
123.11684	3.6
124.03978	2.2
124.08427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02357	0.8
53.03948	4.9
55.01868	1.0
55.05266	1.3
55.05512	20.3
57.07075	1.3
62.58061	0.9
65.03935	3.3
67.05508	81.9
67.17986	0.8
67.89469	0.8
68.05828	1.3
69.34934	7.1
75.61110	0.7
79.05495	8.1
80.05032	7.7
80.06289	2.4
81.03413	6.8
81.07059	20.7
91.05478	4.8
93.07056	17.1
95.04974	45.1
95.08612	54.3
96.04497	2.4
96.05305	0.7
98.20806	1.9
98.21480	1.8
98.26787	0.7
100.02480	2.1
105.07029	4.1
107.04979	2.2
108.05758	5.4
123.04475	2.2
123.05576	13.6
123.08074	100.0
123.11638	4.1
124.03950	2.6
124.08452	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	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03951	7.1
55.01864	1.3
55.05515	23.8
55.06816	1.1
57.07074	2.9
57.69709	1.0
59.03875	0.9
60.52142	0.9
64.41281	1.0
65.03930	4.5
67.05508	100.0
69.03407	1.5
69.07041	1.4
70.36310	2.5
70.36706	2.1
77.19164	1.1
79.05492	25.0
80.05013	3.8
80.06281	2.1
81.03426	3.1
81.07059	55.8
91.05489	5.4
93.07042	20.2
95.04970	16.0
95.08610	94.3
96.04512	2.7
96.08922	1.7
98.21027	2.5
100.02523	1.7
103.05482	1.6
105.03433	1.9
105.04534	1.0
105.07034	11.4
107.04975	5.6
108.05744	25.5
118.03497	1.8
121.06506	3.8
123.04446	4.3
123.05569	14.1
123.08075	74.5
123.11705	12.6
124.03941	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	123.0443
Annotation	Benzoate
Peak:m/z	Relative Intensity
51.02383	1.3
53.03946	12.4
54.16018	0.7
55.01867	2.2
55.05519	4.9
56.80108	0.7
57.07062	1.5
58.62235	0.7
65.03940	1.8
65.32133	0.7
65.33814	0.8
67.05508	23.9
69.03423	0.8
69.07065	0.8
69.70256	4.6
77.03940	3.9
77.16467	0.7
77.17395	0.8
79.05495	100.0
80.05027	17.9
80.05811	1.4
80.06287	1.4
81.03429	1.7
81.07059	37.3
82.01468	1.5
91.05449	1.8
93.07034	5.0
95.04366	1.1
95.04976	28.9
95.08610	31.4
96.04507	7.5
98.21320	2.0
100.02495	9.1
103.05464	1.5
105.03398	18.5
105.04478	6.3
105.07040	10.2
106.02921	1.2
107.04954	5.3
108.05743	34.1
112.03935	2.3
118.03529	4.4
119.01908	1.3
121.06504	5.9
123.04440	21.6
123.05556	39.1
123.08071	54.7
123.11689	8.6
124.03958	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02383	1.1
53.03946	5.9
53.96193	0.5
55.01861	2.0
55.05514	5.5
57.07071	1.7
65.03937	2.1
67.05509	32.8
68.05806	0.9
69.03426	1.1
69.07068	0.8
69.99380	2.6
72.53852	0.6
77.03938	2.6
78.03442	1.2
79.05495	23.4
80.05022	19.8
80.05807	0.6
80.06268	3.0
81.03429	1.3
81.07061	30.1
82.01453	1.4
90.04677	0.8
91.05480	1.7
93.07045	6.2
95.01359	0.5
95.04975	22.3
95.08610	49.9
96.04507	10.1
96.05135	0.9
97.70203	0.7
98.20946	1.3
99.97195	0.6
100.02491	8.2
103.05499	2.9
103.40459	0.5
105.03428	3.5
105.04498	2.9
105.07035	16.8
106.02913	1.1
107.04955	10.7
108.05743	69.3
109.06059	0.9
112.03976	3.0
112.64764	0.6
118.03509	4.5
119.01931	3.2
121.06515	11.4
121.10149	0.7
123.04450	19.9
123.05560	42.0
123.08074	100.0
123.11697	6.4
124.03956	8.5
124.05897	0.7
124.07610	1.4
124.08447	1.4
125.06036	1.0
133.07542	0.8
135.05611	0.6
137.02971	2.5
140.03441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
53.58225	1.1
54.19373	1.2
55.01863	1.9
57.03437	3.9
58.99849	1.5
61.02931	2.5
67.39474	1.2
69.03429	3.5
71.47337	2.3
73.02913	2.1
74.38244	1.1
75.38180	1.1
76.94937	1.1
77.00912	2.4
78.52951	1.9
80.05031	3.5
81.01913	1.7
81.03395	1.2
82.01449	24.7
82.99845	1.3
83.01499	1.4
86.03648	1.1
86.52715	2.1
88.02679	2.9
95.04967	4.8
96.02417	1.5
96.04490	2.2
98.52712	2.3
100.02488	100.0
101.00883	13.4
101.01503	1.6
101.02573	2.7
102.02386	2.4
115.02485	1.5
118.01154	1.5
118.03527	48.4
119.01931	43.8
119.02801	1.3
119.03631	1.5
123.03130	1.3
123.04351	2.2
123.05573	7.8
124.03989	2.4
126.23968	1.2
129.08936	1.1
131.01915	4.2
133.03462	1.5
137.02068	1.3
137.02992	10.3
141.04938	1.3
142.03505	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	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01587	1.0
51.02169	0.5
51.02382	4.4
53.03949	6.3
55.01862	1.3
60.99708	0.4
65.03932	1.4
65.98512	0.4
67.05505	8.7
70.71992	0.8
70.72337	0.5
77.03932	12.1
79.05502	1.3
80.05016	2.4
81.03407	0.8
81.07058	2.9
95.04971	14.1
95.08613	1.2
96.04512	0.7
98.21112	0.4
100.02479	0.7
105.03397	12.4
105.04474	2.3
108.05746	0.9
118.03504	0.5
119.01939	0.4
123.04433	100.0
123.05491	5.0
123.11673	0.5
124.03923	0.8
124.04769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26430	0.5
58.99869	1.3
60.40850	0.5
69.16191	0.5
71.56584	0.9
72.43541	0.5
77.00921	0.8
82.01449	29.1
83.01577	0.5
94.23071	0.5
98.21222	0.6
100.02486	100.0
101.00879	6.7
101.02591	1.5
102.02899	0.6
114.04034	0.7
118.03527	45.5
119.01923	30.8
123.04074	1.1
126.83720	0.6
127.51228	0.5
137.02959	7.8
141.05101	0.9
142.03497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.01876	1.9
57.03429	3.9
58.99849	1.9
61.02935	1.8
67.05486	1.1
69.03421	3.7
70.78628	1.9
70.99854	1.3
73.02911	1.2
77.00890	1.5
79.02155	1.1
80.05012	1.7
81.01902	1.3
81.03413	2.0
82.01447	24.5
85.02901	1.3
88.02687	2.8
93.01871	1.3
93.53465	0.9
95.04944	1.7
96.04492	1.0
97.02893	1.9
100.02487	100.0
101.00887	11.7
101.02557	3.1
102.02380	2.1
111.02966	1.9
113.00846	1.6
115.02426	1.2
118.01150	2.1
118.03525	44.5
119.01926	38.6
120.03400	1.5
121.01683	1.5
123.04111	1.7
123.05540	3.3
124.02422	1.2
124.03936	1.0
131.01886	4.6
133.03468	1.9
137.02971	9.3
141.05147	1.7
142.03506	4.7
143.01909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03743	1.3
53.03952	16.9
55.01859	3.6
55.05513	6.7
57.03423	1.5
65.03602	1.5
65.03943	27.4
67.05511	5.1
71.01342	1.0
71.57725	1.5
77.03936	3.3
78.04690	1.0
79.01860	1.3
79.05496	49.0
79.05959	2.7
80.06274	1.3
81.03417	1.8
81.07053	4.9
85.06538	2.6
91.05483	57.1
93.03412	1.7
93.07047	100.0
94.07404	2.3
95.04969	21.1
98.21027	1.2
103.05470	20.3
105.04528	5.9
105.07032	62.2
106.07803	4.8
111.04441	12.4
119.08579	11.1
121.02867	44.1
121.03970	14.7
121.06512	16.9
121.08425	1.9
121.10145	48.2
121.11031	2.3
122.06001	1.7
123.08083	5.5
133.07617	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.3
53.03949	10.2
55.01875	1.0
55.05515	7.6
65.03944	2.8
67.05504	2.8
69.93903	3.5
74.88153	0.6
77.03915	0.9
79.05492	32.7
80.06284	1.4
81.07063	3.7
91.05482	40.7
92.05782	0.9
92.06313	1.0
93.07045	100.0
93.89236	0.7
94.07378	1.7
95.04976	14.9
95.57302	0.7
98.21059	1.6
103.05469	8.5
105.04533	5.2
105.07033	29.7
106.07829	2.8
119.08576	4.5
121.02856	2.3
121.03963	1.4
121.06532	4.1
121.10142	24.5
122.09660	1.0
123.08072	2.8
133.07579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26430	0.5
58.99869	1.3
60.40850	0.5
69.16191	0.5
71.56584	0.9
72.43541	0.5
77.00921	0.8
82.01449	29.1
83.01577	0.5
94.23071	0.5
98.21222	0.6
100.02486	100.0
101.00879	6.7
101.02591	1.5
102.02899	0.6
114.04034	0.7
118.03527	45.5
119.01923	30.8
123.04074	1.1
126.83720	0.6
127.51228	0.5
137.02959	7.8
141.05101	0.9
142.03497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03743	0.8
53.03949	9.7
55.05516	7.4
58.50680	0.8
63.28275	1.1
65.03915	1.5
67.05499	1.3
69.06316	1.1
71.17923	2.3
73.04675	0.9
77.03912	2.2
79.05498	31.3
80.06260	1.6
81.03392	0.9
81.07050	4.6
91.05488	42.0
93.07048	100.0
94.89317	1.0
95.04973	12.2
98.20923	1.2
103.05486	5.3
105.04508	3.7
105.07033	27.2
105.17997	1.0
106.07800	2.9
119.08565	5.9
121.10142	24.8
121.63715	1.1
123.08094	2.5
133.07594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03949	10.9
55.01857	1.1
55.05516	1.3
65.03950	2.2
69.86669	4.3
77.03917	1.8
79.05497	37.6
79.05962	1.8
91.05482	18.9
93.07051	18.8
95.04970	12.6
98.20950	1.7
103.05467	18.4
105.04537	2.8
105.07033	100.0
106.07885	5.4
107.04960	15.7
119.08584	13.8
120.05727	1.0
121.02853	2.1
121.06510	18.7
121.10147	56.7
122.07304	3.8
122.10488	0.9
123.08083	12.2
133.07605	6.4
138.06883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	1.0
53.03947	7.2
55.01892	1.5
59.42922	0.8
59.78791	1.0
65.03928	3.0
69.67342	4.5
69.67761	1.2
77.03912	2.4
79.05495	36.0
79.05959	1.9
81.03432	0.8
91.05482	16.2
91.06062	1.0
92.69405	0.9
93.07042	20.4
94.12766	0.8
95.04967	9.9
103.05466	18.3
105.04519	3.0
105.07031	100.0
106.07871	5.5
107.04961	11.1
119.08585	13.7
120.05798	1.2
121.02875	3.5
121.04021	1.6
121.06530	13.1
121.10146	54.6
122.07291	2.2
122.10549	1.1
123.08078	12.3
133.07605	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02391	1.3
51.03242	0.5
52.48212	0.5
53.03948	10.0
55.05515	7.4
65.03937	1.3
67.05501	1.8
69.63167	3.6
77.03928	1.2
79.05497	32.6
80.06261	0.9
81.03414	0.7
81.07067	4.1
91.05485	38.9
92.05816	0.7
93.07046	100.0
94.07381	1.3
95.04363	0.9
95.04971	13.1
98.21146	1.9
103.05460	5.4
105.04511	4.4
105.07032	25.3
106.07847	3.2
111.04473	0.5
119.08575	4.2
121.02863	1.8
121.03964	0.8
121.10152	21.3
121.11027	1.3
123.08092	1.9
133.07613	1.2
133.30365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.3
53.03950	11.4
55.05514	7.6
58.21645	1.0
67.05524	2.3
69.33877	8.9
71.91447	0.9
77.03918	2.0
79.05495	34.5
80.06277	1.3
81.07063	4.5
91.05483	43.3
93.07049	100.0
94.07395	1.4
95.04978	15.2
98.20754	1.5
98.21423	2.3
98.27430	1.0
103.05455	6.9
105.04523	3.3
105.07039	32.7
106.07816	3.5
119.08547	4.6
121.09307	1.8
121.10149	25.1
123.08057	2.3
133.07658	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03739	0.9
53.03946	10.7
55.05513	6.7
65.03933	3.0
67.05501	2.0
69.66827	5.1
70.23010	0.7
77.03931	1.6
79.05493	33.8
81.03404	1.1
81.07063	5.5
87.54718	0.8
91.05482	43.1
93.07047	100.0
94.07341	1.8
95.04967	13.3
98.21401	2.1
103.05462	6.1
105.04530	4.2
105.07031	27.4
106.07794	2.9
110.71880	0.8
119.08561	5.0
121.02845	3.7
121.03936	0.9
121.09323	1.2
121.10152	21.9
123.08060	2.3
123.79845	0.7
133.07587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01586	1.1
50.86025	0.8
51.02378	3.6
53.03702	1.7
53.03949	33.1
53.60289	0.9
55.01862	3.6
55.05509	1.5
65.03941	8.4
67.05494	3.4
69.44794	3.4
69.45222	3.1
77.03947	4.0
78.04700	2.3
79.05495	14.9
81.03423	4.2
91.05483	99.2
92.05830	1.7
93.07047	65.3
95.04972	46.1
98.20913	2.6
103.05474	11.8
105.04528	11.8
105.07034	15.3
106.07811	1.3
111.04433	0.9
119.08580	2.6
121.02897	7.4
121.04115	4.0
121.06510	100.0
121.10145	12.2
122.06870	1.0
123.08065	1.5
128.06354	0.9
133.07639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.6
53.03947	13.7
53.46202	0.8
53.55556	0.7
55.01878	1.8
55.05510	1.7
65.03941	11.0
67.05496	2.0
71.57191	0.8
71.58599	0.7
75.01685	0.8
77.03927	2.4
78.04716	3.6
79.05493	39.0
81.07055	1.0
91.04898	1.0
91.05482	34.2
93.07043	35.1
94.07343	0.9
95.04359	1.1
95.04971	17.7
101.77668	0.7
103.05473	25.5
105.04542	4.4
105.07033	100.0
106.07864	6.5
107.04957	16.2
111.04439	2.1
119.08582	13.0
121.02873	9.6
121.03987	3.4
121.06513	37.7
121.10146	53.8
122.07359	4.0
123.08074	12.6
133.07622	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02390	0.4
53.03946	2.8
54.04292	0.4
65.03939	4.1
69.82840	2.1
78.04720	1.0
79.05504	5.2
91.05483	100.0
92.05813	1.1
93.07049	5.6
95.04970	3.9
96.04472	0.5
98.20914	0.5
98.21461	0.8
102.04683	0.4
103.05471	15.4
104.06254	11.4
105.04510	1.4
109.06506	1.2
115.05454	7.1
117.07022	44.6
118.07289	0.6
119.04945	0.7
119.06075	2.3
119.08584	66.3
120.05614	0.6
120.08916	0.7
121.06519	1.0
131.06067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.28630	0.7
53.03941	3.0
53.75058	0.5
54.04287	0.9
55.01859	0.7
65.03944	3.3
65.04248	0.6
71.46146	0.9
78.04679	0.7
79.05494	9.3
91.05483	77.1
92.05805	0.7
93.07041	3.4
95.04973	3.7
103.05471	11.2
104.06253	11.6
104.12455	0.7
105.04546	1.4
115.05459	4.4
117.07027	19.5
119.08585	100.0
120.08894	0.9
125.10020	0.7
126.78750	0.8
139.70000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
65.03947	5.0
70.68677	1.4
70.69044	1.4
78.04727	1.2
79.05490	5.8
91.05482	100.0
93.07034	6.7
95.04966	2.9
98.21105	1.6
103.05468	14.2
104.06248	11.6
105.04506	0.8
109.06519	1.3
112.44581	0.6
115.05453	6.4
117.07019	36.0
118.07384	0.8
119.04958	3.4
119.08582	84.4
120.08967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
54.70445	0.7
65.03945	5.1
69.84074	2.8
69.84480	1.4
78.04713	1.7
79.05503	6.6
91.05486	100.0
92.05803	0.7
93.07047	6.3
95.04956	3.9
96.05308	1.5
98.21258	2.1
103.05479	12.4
104.06266	11.4
109.06515	1.2
115.05458	5.5
117.07025	28.4
119.04984	3.6
119.06087	2.0
119.08587	80.5
120.08923	1.4
126.52837	0.7
138.88435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02383	0.5
53.03954	2.9
55.05518	0.7
65.03940	5.1
69.43600	3.2
69.44009	1.4
73.15287	0.5
77.03947	0.8
78.04731	1.2
79.05498	6.8
83.30561	0.6
89.85358	0.5
90.13134	0.5
91.05488	100.0
92.05833	0.9
92.21393	0.5
93.07059	5.7
95.04971	3.9
96.05328	0.6
98.21023	2.0
102.04707	0.7
103.04788	0.8
103.05474	13.6
104.06261	11.8
105.04512	0.8
109.06529	2.0
115.05474	6.3
117.07029	38.1
119.04977	3.8
119.06089	1.4
119.08589	76.1
120.08910	1.0
121.06490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.9
57.11641	0.4
61.61684	0.4
65.03943	6.1
69.52274	2.7
73.20268	0.4
74.40250	0.4
77.95814	0.4
78.04705	1.0
79.05498	6.5
91.05486	100.0
92.05807	1.3
93.07056	4.6
95.04977	4.0
96.05328	0.9
98.21139	1.7
102.04682	0.7
103.05476	11.4
104.06256	11.4
105.04511	1.6
106.38696	0.5
109.06525	1.8
115.05467	6.7
117.07025	32.5
118.07355	0.7
119.04971	4.3
119.06111	1.5
119.06883	2.5
119.08585	78.3
120.08931	1.1
121.06522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.77012	0.3
51.02372	0.4
53.03953	2.5
54.04268	0.4
64.66617	0.3
65.03941	3.3
67.05492	0.3
70.46276	0.3
71.47042	0.5
77.03926	0.5
78.04706	1.3
79.05493	6.4
81.03399	0.5
91.05484	100.0
92.05816	1.2
93.07043	6.6
95.04968	3.7
96.04510	0.4
96.05310	0.6
102.04684	0.6
103.05470	14.4
104.06255	12.3
105.04526	0.9
109.06509	2.0
115.05464	7.3
117.07023	47.4
118.07368	0.9
119.04964	1.0
119.06088	1.3
119.08582	66.9
120.08918	1.2
121.06538	1.2
131.06085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14683	3.5
67.05488	10.9
69.03423	8.2
69.90863	3.8
69.91177	18.1
70.29008	3.8
80.06251	7.5
91.05487	8.9
93.07040	6.4
100.02486	14.8
101.00866	19.9
101.02603	4.6
102.02876	3.4
103.02433	11.2
107.05261	10.9
116.05775	10.4
118.03500	5.7
118.40915	3.5
119.01929	100.0
120.21790	3.5
121.03504	8.6
133.98056	5.6
137.02937	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
56.52792	1.3
56.96570	18.8
57.99377	1.3
58.99868	1.5
60.95853	1.3
61.02921	2.5
65.03923	3.2
67.02984	1.9
67.05501	2.8
69.03430	8.6
69.94692	7.0
77.00793	1.8
80.75392	1.6
82.01441	5.8
83.00780	2.1
85.02913	2.5
85.93697	1.3
87.53410	1.5
89.00749	1.7
91.05492	23.5
92.02483	4.9
98.01327	2.9
98.20937	3.2
98.97594	7.5
100.02476	12.3
101.00880	20.0
102.02263	1.4
103.02398	1.9
107.99804	1.4
110.01254	2.2
115.02425	1.4
115.64101	1.3
116.01270	1.5
118.03529	5.6
119.01928	100.0
119.03556	22.3
119.04958	3.8
119.06074	7.8
120.02005	2.2
121.03522	1.5
133.03444	3.7
137.02966	30.3
137.04677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.24898	0.4
53.03940	1.8
54.04287	0.6
64.69455	0.4
65.03947	2.7
70.92480	0.6
70.92818	0.3
78.04712	1.2
79.05499	3.8
80.49229	0.4
85.18339	0.4
91.05486	100.0
92.05830	0.7
93.07057	2.6
95.04971	1.5
96.04637	0.4
96.05318	1.0
98.21190	0.5
100.42951	0.4
103.05479	6.2
104.05603	0.6
104.06253	7.6
105.04494	0.7
115.05457	2.7
117.07027	13.2
119.04972	1.0
119.06843	1.6
119.08587	45.8
120.08894	0.5
129.90694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03944	2.5
55.97018	0.3
56.86679	0.3
60.87178	0.4
65.03940	3.8
67.05499	0.4
69.47212	2.6
70.33000	0.3
74.06024	0.4
78.04690	0.5
79.01696	0.3
79.05493	7.1
89.08880	0.4
91.05482	100.0
92.05801	2.1
93.07053	4.3
95.04968	2.7
96.04452	0.5
96.05309	0.8
98.21416	0.8
102.04705	0.5
103.05479	8.4
104.06252	7.3
105.04487	0.8
109.06503	1.1
113.26439	0.4
115.05470	4.2
117.07016	22.6
119.04950	1.6
119.06072	1.3
119.06831	1.4
119.08582	58.1
120.05639	0.6
120.08898	1.0
121.06499	0.4
139.12059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02370	4.4
53.03706	4.2
53.03948	65.7
62.75195	2.5
69.74059	16.5
72.08135	10.2
72.99643	2.4
77.03918	8.9
79.25822	3.0
81.03426	6.1
91.05489	8.8
95.04971	84.5
95.91576	2.5
97.66711	3.1
98.20742	5.5
98.21346	5.4
105.04530	29.9
118.06544	100.0
118.08630	3.0
119.08571	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03947	1.3
55.55688	0.6
59.93108	1.4
61.67751	0.5
68.18062	0.6
70.81111	1.6
72.08154	2.4
76.93374	9.6
88.55708	0.6
89.49936	0.6
91.05486	39.6
94.94418	3.6
95.04974	1.2
100.28925	0.6
117.05779	4.6
117.95985	1.4
118.06551	100.0
118.96763	0.8
119.06906	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01581	2.1
51.02380	8.8
53.03949	69.7
55.01864	2.6
69.64133	5.3
69.64536	3.1
76.93362	3.5
77.03936	14.1
81.03440	6.6
91.05490	11.0
95.04973	93.0
98.21104	5.7
105.04516	28.1
106.04868	1.5
117.07042	2.5
118.06548	100.0
119.06898	2.0
119.08574	9.5
129.10306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	3.0
51.02387	8.0
53.03952	62.5
55.01876	2.5
58.06619	1.3
65.03946	2.9
70.65295	2.8
70.65639	2.2
71.58790	1.4
72.08173	9.0
76.93375	6.7
77.03939	9.4
79.05515	3.2
81.03413	5.0
81.68603	1.3
91.05489	92.0
93.07048	2.4
94.94437	3.2
95.04977	83.3
96.05319	1.2
98.20865	1.5
98.21391	1.8
103.05463	5.5
104.06253	5.1
105.04530	26.6
107.19206	1.3
115.05490	2.8
116.05805	3.8
117.07018	11.9
118.06557	100.0
118.07328	6.0
118.08681	3.0
119.08587	42.3
122.91746	1.5
134.17734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02378	8.7
53.03710	4.2
53.03949	67.4
61.63999	3.8
69.34567	9.0
69.34984	23.6
72.08154	7.0
77.03924	15.5
79.05457	3.6
81.03384	5.1
91.04970	5.2
91.05489	73.4
93.07067	4.9
93.19150	3.3
95.04974	100.0
98.21139	16.7
103.05454	7.7
104.06251	7.8
105.04507	29.3
115.05503	4.2
116.05822	4.8
116.06628	4.0
117.07029	33.3
118.06554	97.3
119.08582	56.3
119.09375	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	8.3
53.03946	65.8
55.01868	4.0
55.37175	1.9
57.39675	2.0
58.06581	3.3
59.07368	3.7
69.76369	2.1
69.89576	3.7
69.89980	8.6
72.08149	20.2
77.03933	8.9
81.03413	7.6
91.05480	21.0
95.04356	4.9
95.04967	89.0
98.20885	4.7
104.06268	3.1
105.04504	26.5
117.06973	3.9
118.06544	100.0
118.07307	5.4
118.08668	7.1
119.08572	12.9
125.45514	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0503
Annotation	(2R-cis)-3-Amino-2-oxetanecarboxylic acid
Peak:m/z	Relative Intensity
53.03949	1.8
53.22827	0.6
54.03455	1.1
55.01881	5.4
55.05515	19.0
56.05038	2.2
56.96563	4.6
57.03441	40.1
57.05814	1.6
58.06603	23.4
59.05005	0.9
59.07385	23.4
59.52195	0.9
65.03941	0.8
67.05514	2.6
68.02660	0.9
69.03434	15.2
69.07071	2.4
69.82014	3.8
70.06600	2.7
71.01356	12.1
71.04996	2.8
71.06912	0.7
72.04522	6.7
72.08158	100.0
76.07635	0.9
76.93388	4.2
78.52950	3.3
80.06317	0.9
82.01452	6.0
82.02950	7.5
82.06595	3.5
83.01335	6.2
84.03813	0.7
84.08150	7.4
85.02904	2.0
90.05563	8.4
91.05488	3.1
94.06573	3.2
94.54266	7.7
94.94412	1.7
95.01349	0.7
95.04337	1.4
95.04990	2.8
95.54168	0.7
97.04537	1.3
98.21143	1.8
100.01950	0.5
100.02496	28.6
100.03980	35.0
100.07618	3.9
101.02545	3.7
102.02239	3.0
102.04046	3.2
103.02480	1.7
103.52995	0.8
103.54782	4.9
106.05051	20.6
106.55113	5.8
107.04911	1.3
107.05276	1.1
111.06824	1.8
112.07616	30.4
113.02386	1.8
113.07959	2.2
115.02507	0.8
115.05587	5.3
115.55653	1.3
116.05771	1.1
117.55843	0.8
118.03597	17.8
118.05022	76.3
118.06518	3.1
118.08659	70.1
119.01911	2.2
119.03599	2.0
119.06046	0.7
120.03281	1.7
120.05077	1.2
121.03501	1.3
121.22226	0.7
123.04071	0.8
125.05630	1.3
127.52979	0.9
129.04057	0.8
133.03503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0502
Annotation	(2R-cis)-3-Amino-2-oxetanecarboxylic acid
Peak:m/z	Relative Intensity
53.03951	8.5
54.03456	1.1
55.01871	5.4
55.05505	4.7
56.96561	3.9
57.03439	45.6
58.06602	5.7
59.93109	7.8
60.30374	1.1
65.03925	2.2
70.06597	2.2
71.01354	15.4
71.55366	1.9
72.04516	12.0
72.07794	1.9
72.08160	22.6
75.04489	1.4
76.93375	66.4
77.03950	1.2
82.02963	9.7
82.06557	1.4
83.01337	7.9
90.03801	1.2
90.05566	8.8
91.05486	40.4
94.94411	30.4
95.04981	12.0
100.03982	50.1
100.04656	2.4
105.04511	4.5
112.95469	5.4
117.07010	1.2
117.95978	10.4
118.05025	100.0
118.06482	26.4
118.08665	6.7
118.96783	4.8
119.04936	1.5
119.06104	2.4
119.08596	5.2
128.52170	1.0
135.97014	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	118.0502
Annotation	(2R-cis)-3-Amino-2-oxetanecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	1.2
53.11842	0.4
54.03471	0.7
54.79168	0.4
55.01879	4.6
55.05514	17.5
56.05043	0.7
57.03439	38.6
57.05821	1.0
58.06593	4.5
59.07394	3.5
60.04546	0.6
61.79292	0.5
64.82071	0.6
69.03432	0.9
69.91731	2.1
70.06570	0.5
71.01356	11.6
71.04998	0.8
72.04517	7.6
72.08158	100.0
73.08497	1.1
75.04468	1.5
76.93370	2.8
82.02941	8.2
82.06586	1.9
83.01343	5.1
85.02865	1.1
90.05560	7.0
91.05471	3.6
94.94396	1.5
98.33342	0.5
100.02549	3.7
100.03982	37.4
100.07645	1.3
101.06014	0.6
103.02422	0.6
106.05088	0.5
113.02385	0.9
118.03570	2.5
118.05019	76.6
118.06522	3.2
118.08656	12.2
119.01962	1.0
119.05385	0.8
130.51305	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.5
56.05038	1.0
56.96572	0.6
57.03437	1.0
60.04528	0.9
68.05029	2.9
69.03430	2.0
70.06593	100.0
71.04991	0.6
71.06928	0.6
72.04516	0.7
72.05646	0.2
73.02939	0.3
74.93847	0.4
78.52970	0.9
80.05027	1.1
81.03415	1.4
82.01463	0.5
84.04485	0.2
87.53480	0.2
88.07603	0.4
93.53442	0.2
95.01323	0.4
98.06065	2.7
98.07151	1.5
98.09703	1.3
98.21217	0.2
100.02492	1.7
100.52442	0.3
102.02247	0.4
109.02213	0.2
109.02855	1.2
115.02424	0.2
116.07091	12.7
116.08217	0.8
116.10727	1.0
118.03547	0.9
119.01913	0.4
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	1-AMINOCYCLOBUTANE CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03944	0.5
55.01880	0.2
56.05042	0.5
56.96568	0.6
57.03435	0.6
58.92096	0.2
59.17046	0.2
60.04529	1.0
60.05648	0.2
68.05029	2.7
69.03432	1.7
70.06592	100.0
71.02052	0.3
71.05000	0.4
71.06920	0.7
72.04524	0.6
74.02419	0.2
78.52965	0.5
79.03097	0.3
80.05025	1.1
81.03423	1.1
82.01440	0.4
88.02695	0.2
88.07590	0.3
90.01610	0.2
90.52929	0.3
90.57402	0.2
98.06059	2.7
98.07146	1.4
98.09705	1.0
98.97585	0.3
100.02489	1.4
102.02277	0.2
102.80867	0.2
109.02882	1.0
116.07090	12.5
116.08209	0.8
116.10735	0.8
118.03536	0.7
119.01922	0.4
131.01888	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	115.0757
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
51.72981	0.6
53.00310	1.2
53.03949	3.4
55.01880	8.2
55.05510	10.3
57.03436	10.3
59.05001	9.5
60.09810	0.6
67.05508	7.0
69.03424	4.8
69.07069	100.0
69.72763	3.9
70.06597	4.0
70.07407	1.5
71.05013	1.9
72.55640	0.7
72.93793	3.0
73.02898	0.6
73.06555	18.6
73.20809	0.6
73.93829	2.6
74.93827	9.5
78.06998	0.7
79.05495	20.0
80.05848	1.2
87.00855	1.4
87.04478	6.7
88.06100	0.6
92.94884	2.5
97.02887	0.7
97.06533	55.7
98.21324	1.6
115.03932	7.7
115.05466	3.3
115.07583	4.8
115.09509	3.7
115.96460	1.7
116.97262	0.9
120.46502	0.7
133.97469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.169
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03424	0.1
89.03938	0.3
91.05481	4.9
98.20879	0.2
98.21434	0.1
103.05459	0.4
105.07017	0.2
107.04961	0.1
115.05449	4.1
116.04918	0.2
116.06241	0.2
117.05769	2.5
117.07009	1.9
118.06544	33.8
119.06863	0.4
128.05040	0.1
130.06532	2.4
132.08095	6.3
133.08453	0.1
142.06519	3.1
143.07306	4.8
144.04431	0.4
144.08089	14.0
145.06477	0.4
145.08417	0.3
146.06009	66.9
147.06354	1.0
152.02713	0.2
155.06032	0.4
159.09180	5.3
160.07599	1.0
163.03918	0.2
163.24043	0.1
170.06012	6.0
174.01639	0.1
187.03912	0.2
188.07066	100.0
189.07417	1.7
191.03339	0.2
193.01381	0.2
195.02951	0.6
195.04417	0.1
203.03453	0.2
205.09723	35.6
206.10045	0.4
207.02800	0.1
214.08148	0.1
215.03394	0.2
219.02814	0.2
231.02859	0.5
233.80043	0.1
237.05495	0.1
245.00957	0.2
247.02353	0.4
249.05342	0.2
257.00906	0.2
259.02399	0.9
265.04913	0.3
267.06641	0.1
275.01617	0.6
276.02603	1.7
277.03345	2.1
281.04395	0.3
289.04547	0.1
293.04456	0.2
302.00217	0.2
303.01324	1.5
305.04318	0.2
309.03854	0.2
311.05472	0.3
315.36957	0.1
321.03784	0.4
325.03427	0.3
327.05109	0.2
331.05991	0.1
335.05411	0.2
337.03265	0.4
339.04956	0.1
349.03345	0.4
353.02985	0.2
355.04361	0.2
361.03458	0.3
365.02768	0.4
367.04379	0.3
377.02722	0.4
379.04544	0.2
381.02213	0.2
383.03735	0.3
387.05054	0.2
389.02795	0.2
393.02368	0.4
395.03845	0.5
405.02225	0.4
406.03070	0.2
409.01547	0.3
411.03177	0.2
415.04526	0.2
419.03873	0.3
421.01773	0.2
423.03406	0.4
433.01645	0.3
437.01376	1.2
439.02997	1.7
447.03772	0.1
451.03030	1.2
455.02594	0.8
467.02304	0.3
469.04010	4.9
470.04556	0.2
481.03625	0.1
487.03183	0.1
489.04065	0.3
493.03906	0.6
495.01923	3.8
496.01620	0.1
505.04288	0.9
507.05438	0.2
517.04120	0.8
523.04828	0.6
534.98431	0.1
535.05176	1.5
553.05780	0.5
571.06848	0.1
579.04633	0.2
597.04541	0.3
615.06213	0.7
633.07251	1.0
935.07050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00308	1.0
53.03946	1.6
55.01874	1.9
55.05514	26.6
57.03452	3.9
57.07072	2.8
59.05001	1.8
64.76140	0.6
65.03944	28.0
67.01869	1.7
67.05506	100.0
68.05026	0.8
68.05814	0.5
69.03432	2.4
70.02959	2.7
70.06602	1.1
71.04993	6.2
71.57747	0.6
71.94102	6.4
72.93790	18.6
83.04984	28.5
85.06554	3.4
89.95162	0.5
90.94830	6.5
95.01341	2.0
95.02453	2.3
95.04971	12.1
95.08620	1.1
96.00861	1.6
96.04506	0.9
96.08136	0.6
98.00697	0.4
103.88599	0.5
108.95875	2.1
113.00016	1.0
113.02385	28.4
113.03510	12.3
113.04266	1.0
113.06007	15.4
113.07207	0.7
113.07965	2.1
113.96426	1.5
114.05519	1.0
114.09186	1.5
123.11520	0.6
131.97459	1.0
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
51.36377	1.0
55.01867	1.9
55.05510	10.3
57.03430	4.6
57.07079	52.0
65.03941	12.4
66.58073	1.2
67.01862	2.3
67.05506	100.0
68.05835	1.4
69.03426	2.9
69.07065	2.0
70.02946	3.5
71.01426	1.3
71.04995	19.3
71.17272	2.3
71.17610	1.4
71.94093	5.0
72.93791	22.2
83.04961	1.9
85.06547	23.3
90.94836	4.5
95.01334	2.8
95.04974	30.3
96.00848	2.4
98.20963	1.2
113.00023	2.1
113.02375	40.0
113.03506	5.6
113.06019	24.1
113.07927	1.7
113.96394	1.3
114.09165	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	113.0236
Annotation	3-Furoic acid
Peak:m/z	Relative Intensity
50.54142	0.2
57.03432	0.5
65.13193	0.2
67.01871	3.2
67.05483	0.4
69.88566	1.1
72.93797	0.5
76.66529	0.2
86.39170	0.2
95.01327	3.6
95.04993	0.2
100.66926	0.2
102.78807	0.2
113.02367	100.0
114.02720	0.7
121.53228	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	113.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77559	0.3
55.01872	0.9
55.05511	0.5
56.84962	0.3
56.96557	0.3
57.03439	2.6
58.06593	0.4
65.03944	0.5
67.01868	4.2
67.05508	6.3
68.05020	0.4
69.03437	1.6
69.07063	0.5
70.02962	1.4
70.03761	0.3
70.06580	0.6
71.01357	0.3
71.04996	1.9
71.56621	0.6
71.94105	3.6
72.93793	12.3
79.05492	0.4
83.04977	0.4
85.01155	0.4
85.02914	0.3
85.06543	0.6
85.07743	0.3
85.59690	0.3
89.95167	0.5
90.94827	4.3
95.01332	4.2
95.02480	0.3
95.04968	2.2
95.08604	1.1
96.00874	0.7
99.17088	0.3
108.95848	1.2
113.02373	100.0
113.05977	2.4
113.07188	0.5
113.07958	1.0
113.09624	0.4
113.96402	1.0
114.02692	0.7
114.05517	0.4
114.09162	1.6
131.97426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0237
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.02377	0.2
55.01859	0.7
55.05497	0.6
57.03437	0.9
57.07081	0.4
65.03927	0.6
67.01869	3.3
67.05508	3.9
68.05023	0.8
68.17905	0.2
68.99781	0.3
69.03442	1.4
69.07061	0.3
69.28065	0.8
69.28483	1.1
70.02969	1.6
70.03760	0.5
70.06586	0.6
71.01357	0.4
71.04998	1.8
71.94102	5.2
71.95243	0.2
72.93793	12.2
85.02910	0.4
85.06550	0.5
85.08476	0.4
86.06074	0.2
89.95147	0.7
90.94828	5.1
95.01329	5.2
95.02388	0.2
95.04979	1.6
95.08578	0.3
96.00879	1.4
96.04490	0.9
98.21230	0.9
99.00655	0.2
108.95834	1.0
113.02373	100.0
113.05975	2.1
113.07953	1.3
113.96399	0.8
114.02705	0.7
114.05531	0.7
114.09187	1.1
131.58611	0.2
131.97427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48969	1.1
52.62241	1.2
54.55003	1.0
55.05265	2.0
55.05515	35.0
55.20132	1.2
56.05038	1.2
56.89425	1.0
58.06619	6.8
60.67875	1.1
67.05507	1.2
68.05027	1.6
68.72002	1.1
69.03426	1.6
69.07072	100.0
70.06589	1.6
73.41132	1.3
82.05309	2.4
83.06091	3.3
83.08613	1.2
88.00476	2.4
97.01028	2.4
98.20940	5.2
100.84222	1.2
111.04440	4.0
111.05568	8.9
111.06403	5.1
111.09203	3.3
112.03931	1.4
112.07565	2.1
112.11288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01855	15.0
81.03420	5.0
85.02911	14.8
87.51975	0.9
89.03929	1.2
90.25391	0.9
91.05473	2.6
97.02901	2.9
98.21220	2.2
101.02386	6.0
103.03938	2.3
103.05486	1.5
105.03410	2.0
107.01328	3.1
109.02887	9.3
117.03359	1.3
119.04977	1.2
125.02356	4.0
129.03380	1.1
131.04936	1.1
133.02849	6.9
137.02330	7.5
139.03932	1.1
143.03413	12.1
145.02827	2.5
147.04425	4.0
151.03857	1.6
152.06203	1.0
153.01837	100.0
153.02937	6.9
153.06972	1.4
154.02171	1.5
155.04926	1.0
157.02850	3.2
157.04951	2.9
161.02373	1.2
162.03206	1.5
163.03912	3.8
163.43468	1.1
165.01837	5.5
166.02597	2.9
167.03372	2.4
169.06487	3.0
171.04378	1.1
173.02374	4.5
173.06035	1.1
174.03178	1.1
175.03947	5.3
177.01863	2.2
179.03416	3.0
181.06497	4.2
185.02374	2.3
185.04427	5.6
185.05896	1.5
187.03830	6.9
189.01834	1.3
190.02542	1.2
191.03409	7.7
192.04233	2.6
193.01344	16.7
193.06540	2.2
194.02074	4.4
194.03760	1.0
195.02898	59.0
197.05978	3.8
199.03912	1.1
199.07359	1.0
200.89914	1.0
201.01909	9.7
201.05554	1.3
202.02499	2.0
203.03389	11.0
203.05507	9.2
204.04144	1.0
205.04906	1.6
207.02815	1.6
209.06024	3.7
213.01825	6.8
213.05513	2.2
215.03397	5.0
215.06990	1.1
216.04254	1.3
217.01335	4.1
218.02127	5.2
219.02844	15.7
220.03653	3.8
221.06036	2.2
223.03912	2.0
225.05475	6.6
227.03403	2.0
227.07068	2.7
229.01396	7.7
229.04955	4.0
230.01997	1.7
231.02885	32.6
232.03395	1.8
233.00850	4.4
236.03079	1.3
237.05473	9.7
239.03455	3.4
239.06964	1.3
241.01347	8.1
241.04976	3.0
243.02956	1.4
243.06516	2.0
245.00900	1.7
245.04317	2.3
246.01605	1.9
247.02383	33.7
248.03018	3.1
249.05693	2.1
251.03349	3.0
251.06992	1.0
253.04918	13.5
255.02898	2.4
255.06705	2.4
257.00830	14.6
257.04437	4.2
259.02393	43.7
260.02927	2.3
261.03738	1.2
263.03363	3.2
265.05051	10.8
267.02948	3.2
267.06500	3.0
268.03784	1.1
269.04395	7.0
271.02475	2.3
271.06009	4.0
273.03952	1.5
275.01782	15.4
275.06433	1.3
276.02652	8.2
277.03403	73.5
278.03842	2.0
279.02899	3.4
279.06268	1.5
280.03738	1.4
281.04477	19.2
282.05118	2.0
283.02396	4.6
283.05524	4.7
284.03223	1.5
285.00305	12.1
285.03949	8.3
289.04935	2.4
291.02939	4.3
291.06412	1.8
293.04633	12.7
295.02371	5.0
295.05936	2.6
297.03900	8.6
298.04764	1.2
299.02127	2.1
299.05264	7.1
301.03540	3.0
302.00565	2.2
303.01337	98.1
304.01663	2.2
305.04596	6.2
307.02286	1.8
307.05862	2.1
308.02921	1.4
309.03946	29.6
310.04590	2.0
311.01825	2.2
311.05475	9.9
313.03372	9.3
314.04218	1.8
315.01208	2.5
315.04886	1.1
317.04437	1.6
319.02328	4.4
319.05850	2.0
321.04041	16.6
322.04578	1.6
323.01828	8.7
323.05481	4.0
324.02582	3.1
325.03448	12.7
326.04083	2.2
327.01489	1.7
327.04919	12.3
329.03000	4.4
331.02036	2.0
333.03885	4.3
335.01685	2.4
335.05630	2.5
336.02637	3.2
337.03427	45.5
337.07516	2.3
338.04102	6.2
339.01288	3.9
339.04999	12.5
340.02121	4.3
341.02820	10.6
343.00565	1.4
343.04849	2.8
345.03174	1.8
347.01813	3.8
348.02603	1.8
349.03436	13.9
350.00064	1.5
350.04108	1.9
351.01706	5.5
351.04950	6.0
352.02029	2.3
352.06036	1.2
353.02911	18.0
353.06915	1.8
354.03546	6.5
355.00693	2.3
355.04498	20.2
357.02280	5.0
357.06210	1.9
359.05304	1.7
361.03381	4.2
363.01184	2.3
363.04990	5.0
364.01996	1.8
365.02921	38.8
365.07468	2.0
366.03455	3.2
367.00650	2.2
367.04547	15.7
369.02277	12.8
371.00070	2.3
371.04578	2.1
373.02011	7.5
375.04932	1.5
377.02884	15.2
377.07089	1.6
379.00330	2.2
379.01523	1.4
379.04825	6.3
381.02252	9.9
383.03983	51.3
384.04163	1.9
385.05484	3.6
387.03510	34.4
388.03989	1.8
389.06741	1.7
391.04520	4.0
392.01248	1.4
393.02374	31.2
394.02878	2.9
394.99948	1.3
395.04095	16.5
397.01471	7.5
397.06393	1.6
399.03925	2.1
405.04898	12.2
407.03989	4.3
409.01395	1.5
409.06042	1.7
411.03494	52.3
412.03809	2.8
413.05191	7.6
415.04553	3.1
417.06360	1.9
419.03976	3.6
421.01852	59.8
422.02258	2.9
423.03195	11.8
425.01193	18.7
429.04349	2.6
433.05499	4.0
435.03406	3.0
437.05310	2.2
439.02988	64.6
440.03162	3.2
441.04572	11.3
443.02780	6.4
445.05695	1.9
449.01141	10.2
451.02692	2.1
453.04742	1.6
457.04080	20.3
461.04990	5.6
463.06339	3.1
465.04938	1.7
467.02478	89.6
468.02576	3.3
469.03931	3.9
471.02615	1.6
475.05084	7.7
477.04004	1.1
479.06052	6.6
485.03537	72.4
486.03909	2.8
489.04343	7.7
495.01474	8.7
499.04846	2.0
503.04492	7.7
505.03680	1.8
507.05655	16.7
513.03015	86.5
514.03302	3.8
517.03174	2.0
523.04828	3.4
525.06836	7.4
529.02148	1.7
531.04102	72.5
532.04297	3.1
533.03131	1.6
535.05133	6.7
541.06110	4.7
543.07568	1.1
549.04913	1.6
551.04736	1.6
552.97839	1.7
553.06158	22.1
554.06427	1.3
555.04034	1.2
569.05774	22.1
571.07343	14.1
579.03436	1.6
587.06665	3.9
589.08069	6.2
597.05310	9.8
615.06189	45.9
616.06232	3.0
633.07361	5.3
741.09784	5.2
785.07019	1.3
891.08160	2.3
909.08710	1.0
935.08209	4.7
953.08594	3.0
1001.40533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01868	4.0
79.05482	0.8
81.03407	2.0
85.02906	1.4
91.05478	0.9
95.01337	1.3
97.02895	1.3
103.05480	0.9
105.03405	1.1
106.36161	0.9
109.02910	3.4
118.04137	0.9
119.04957	0.8
121.02870	1.0
123.04406	0.8
125.02321	2.0
131.04926	1.2
133.02847	1.7
136.05075	0.8
137.02322	1.6
139.03844	0.7
143.03419	3.8
145.02876	1.3
146.03635	0.8
147.04399	1.6
153.01831	25.1
153.02925	1.8
153.06979	1.0
157.02872	2.0
161.02342	1.3
163.03905	3.4
165.01848	1.5
173.02374	2.5
175.03880	2.7
177.01826	1.5
179.03391	2.1
181.06529	0.9
185.02313	1.4
187.03850	4.0
189.01825	1.0
191.03452	4.1
192.04190	1.2
193.01321	2.7
195.02881	5.1
197.06044	1.6
201.01837	4.5
202.02548	1.9
203.03392	5.0
205.01454	0.8
207.02856	1.2
209.06075	1.4
213.01823	3.7
213.05455	0.9
215.03452	4.8
217.01349	1.0
219.02773	3.8
219.08116	1.2
221.06003	2.0
225.05540	2.4
229.01295	3.7
230.02165	2.6
231.02863	17.0
231.07834	1.0
235.03940	1.6
235.07680	0.9
237.05426	3.8
241.01329	2.9
243.06583	1.4
247.02371	8.5
247.07579	1.5
249.05444	1.8
253.04933	5.6
257.00851	5.0
257.06061	1.1
258.01578	1.0
259.02368	26.3
259.07056	1.1
261.05609	1.0
263.07123	1.5
265.04977	3.6
269.04468	1.4
271.06027	1.5
273.00452	1.6
273.05450	1.1
275.01767	10.1
275.06924	1.4
276.02649	23.6
277.03391	54.0
278.03848	1.6
279.06482	1.4
281.04382	11.4
283.06055	1.6
285.00354	3.5
285.05423	1.1
287.07059	1.7
289.05057	0.9
291.03146	1.6
291.06433	1.9
293.04575	4.4
295.02768	1.0
295.06085	1.8
297.03989	1.6
299.01965	1.2
299.05502	1.8
300.99725	2.0
301.04834	0.9
302.00558	1.9
303.01328	40.5
303.06747	2.4
304.01663	1.3
305.04419	5.4
307.02536	0.9
307.06082	2.2
309.03909	9.4
310.04636	1.3
311.05557	3.7
313.04172	1.4
315.01331	1.6
315.06509	1.8
317.04379	2.3
318.05304	0.9
319.02704	1.5
319.06110	3.3
320.03336	1.0
321.04123	6.4
323.01953	1.5
323.05460	1.6
324.02789	1.0
325.03558	2.9
327.04913	10.3
328.99399	1.3
329.04196	1.7
331.06012	3.6
333.04016	4.6
333.07584	1.3
334.04803	1.2
335.01862	1.1
335.05463	2.8
337.03391	10.4
338.04163	1.3
339.01480	1.4
339.05017	4.9
341.03265	2.9
343.06012	1.9
345.03864	1.7
347.01782	2.4
347.05615	2.9
349.03406	5.9
349.07025	1.4
351.01184	1.4
351.04959	3.3
353.03055	4.9
355.04532	8.2
357.03845	1.4
359.05521	4.2
361.03436	4.9
361.07275	1.3
362.04114	0.9
363.01276	1.8
363.04971	5.5
365.02890	17.4
366.03452	1.7
367.04520	4.1
369.03534	0.9
371.05551	2.1
373.03116	1.4
374.04153	1.0
375.05246	3.6
377.02917	5.4
377.06836	2.1
378.03400	1.0
379.00391	1.5
379.04749	4.1
381.02515	3.1
383.03952	13.6
385.03555	1.2
387.00946	0.9
387.05151	5.7
389.02692	4.9
390.03610	1.8
391.04691	5.1
393.02328	10.6
393.06662	1.2
394.02921	1.0
395.04147	7.6
397.03128	1.7
398.03802	0.9
399.04889	2.0
401.02884	1.8
403.00015	1.2
403.04871	5.0
405.01529	3.9
405.06485	2.7
407.04013	2.7
409.01614	4.5
411.03470	7.1
413.05063	1.3
414.03775	1.1
415.04556	5.7
417.01602	1.3
417.06522	1.7
418.03134	1.0
419.04248	6.1
421.01614	9.9
422.02747	3.5
423.03235	5.7
427.03888	3.6
429.02600	2.8
431.04605	4.5
433.00732	4.3
433.06116	3.1
435.03589	3.0
437.01074	7.9
439.02979	100.0
440.03088	3.8
441.04105	1.5
443.03983	7.8
445.05865	1.3
446.02698	1.5
447.03641	7.1
449.01520	2.5
451.02878	14.9
452.03296	0.9
453.00330	1.8
453.04895	2.3
455.02304	3.6
457.04166	5.2
459.03870	4.0
461.05417	4.4
463.02811	7.5
464.99881	6.6
467.02325	14.9
469.04022	34.8
471.03485	7.0
473.05365	1.1
475.02902	5.0
476.99744	1.2
477.04782	4.0
479.02383	2.9
481.03973	3.5
483.05365	2.0
485.03256	1.4
487.02664	4.7
489.04486	12.6
491.02780	2.8
492.97250	1.4
493.04053	21.3
495.01825	33.6
496.02231	2.0
499.02814	3.6
505.04001	57.1
506.04486	2.6
507.05588	12.2
509.03952	1.0
511.04733	0.9
513.02979	1.5
517.04053	47.5
518.04523	2.2
523.05029	15.8
525.07251	1.3
531.03992	1.1
535.05084	77.1
536.05353	3.3
537.03271	1.0
553.06152	22.9
554.06714	1.2
561.03113	1.5
571.06909	2.0
579.04004	2.9
597.05042	9.3
598.05664	1.0
615.06213	12.5
616.06177	1.1
633.07202	11.6
767.06561	1.0
873.07758	3.9
917.06848	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	110.0605
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03955	0.3
53.99324	0.1
54.04272	0.6
55.01868	0.4
55.05505	0.9
56.05030	0.4
56.96564	7.9
57.03430	1.0
61.02936	0.7
65.03938	1.5
67.04247	1.5
67.05497	0.3
68.00258	0.4
68.02643	0.2
68.05017	0.4
68.05823	0.1
68.95287	1.0
68.98290	0.4
69.03419	1.2
70.98119	0.2
71.02981	0.2
71.56479	0.2
71.95261	0.8
72.96059	0.2
73.02914	0.5
74.00262	0.2
74.97626	0.2
75.01035	0.4
77.00790	1.0
78.52992	0.2
79.01852	0.2
79.05501	0.2
79.52827	0.1
80.05021	1.3
81.03411	0.6
81.04555	0.2
82.01439	0.5
82.03731	0.9
82.05308	0.5
82.06580	5.5
83.00797	0.8
83.04980	0.5
83.06101	2.0
84.01581	0.2
84.52946	0.2
84.96053	0.3
85.02901	0.4
86.01308	0.2
86.99319	0.4
89.00775	0.4
90.01567	0.2
92.01289	0.2
92.05007	1.2
93.04533	1.1
93.05792	0.2
96.01569	0.2
96.53088	0.2
97.02919	0.4
98.01308	0.6
98.21067	0.2
98.52679	0.2
98.97586	3.3
100.02476	1.6
105.00346	0.8
105.02084	0.2
109.05260	0.3
110.06042	100.0
110.97559	1.0
111.00803	0.2
111.04424	0.5
111.05568	0.9
111.06381	0.8
112.03960	1.5
116.98613	1.7
118.03529	0.6
119.01860	0.6
128.98630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	4.5
83.44504	1.6
85.02914	6.8
89.03917	2.2
90.40707	1.5
95.04939	1.5
97.02911	10.7
101.02342	1.8
107.71486	1.5
109.02899	3.8
121.02914	2.1
137.02309	3.1
145.02896	2.0
147.04436	3.6
157.02832	2.7
160.87054	1.7
163.03908	2.7
170.79663	1.6
173.02443	2.9
175.03917	6.7
185.02385	5.2
185.04483	2.3
187.03922	7.8
189.01833	1.7
189.21220	1.8
191.03381	4.8
193.01321	3.3
195.02946	16.7
201.01823	5.1
203.03416	8.8
203.05397	2.6
207.02870	4.1
213.01872	5.7
213.05360	2.6
215.03433	5.4
219.02904	5.6
229.01360	4.2
231.02879	29.3
232.03310	2.5
237.05536	2.1
241.01382	6.2
241.04962	2.2
243.03033	2.1
247.02400	14.5
253.05016	4.1
257.00803	9.5
257.04477	2.1
259.02374	47.7
260.02853	2.1
261.05649	1.7
263.06995	2.1
265.04901	3.6
271.02393	2.1
275.01810	9.8
275.06833	1.6
276.02570	3.6
277.03424	100.0
278.03647	3.1
279.58707	1.7
281.04471	5.1
283.02496	3.8
283.05795	2.0
285.00366	6.1
291.03284	1.9
293.04440	6.5
295.02451	2.8
297.04117	3.5
303.01343	59.6
304.01608	2.3
305.04538	4.0
309.03864	9.7
311.05704	2.1
313.03403	2.2
319.02536	2.3
319.06189	2.6
321.03964	5.0
323.01907	2.4
325.03513	4.4
327.05093	2.5
329.03528	2.8
331.05948	3.6
333.03842	3.8
335.05548	3.4
337.03424	12.6
337.06866	2.3
339.05051	7.1
341.03006	3.6
343.05884	3.1
345.07538	1.8
347.05438	2.8
348.52502	1.8
349.03470	7.2
351.05020	4.7
353.02887	9.4
354.03732	2.5
355.04944	7.5
357.02618	3.4
359.05402	5.2
361.03369	4.7
363.05063	4.0
365.02805	11.5
367.04651	8.3
369.02469	4.1
371.05710	4.5
373.03119	3.7
375.05118	5.9
377.02948	4.1
378.03751	2.4
379.04559	7.0
381.02350	5.2
383.04132	13.5
387.03580	14.7
389.06818	3.3
391.04401	4.1
393.02133	5.8
395.04068	6.8
399.04663	3.7
401.06750	3.8
403.04260	3.6
405.02252	5.4
405.06750	3.4
407.03894	4.8
409.05682	2.2
411.03549	17.0
413.05231	2.3
415.04703	2.6
419.03952	4.8
421.01440	14.7
423.03534	5.8
425.01038	2.7
427.04163	2.3
429.05609	2.0
431.03876	5.0
433.05634	4.6
435.02921	2.1
437.05334	2.4
439.02872	16.2
441.04956	2.5
443.03967	3.2
445.06116	2.2
447.02570	2.5
451.02737	2.3
453.04736	2.0
457.04218	5.7
461.05045	5.3
463.02289	2.8
465.04538	2.5
467.02277	11.2
469.04565	2.7
471.02759	3.1
473.05045	3.5
473.45474	1.7
477.04849	2.0
481.04144	5.1
485.03403	12.5
491.05942	5.2
495.01440	2.0
497.03836	3.9
499.05667	2.1
503.05063	4.1
505.03732	3.6
507.05344	4.5
513.02924	15.7
517.03094	3.0
519.05243	4.9
523.04974	4.4
525.06079	4.5
527.04559	2.2
531.04199	26.2
533.03833	2.5
535.04871	2.9
537.06458	5.8
539.04742	5.3
541.06049	3.8
543.04401	2.9
545.05707	2.9
547.05603	2.9
549.05701	5.3
551.04401	3.9
553.05908	9.6
555.05640	2.6
557.06067	2.3
561.06738	2.7
565.05927	5.7
567.06641	2.6
569.05774	10.0
571.06763	4.0
573.05444	8.9
577.05988	3.4
579.03790	4.7
581.06073	8.7
583.04114	3.4
585.05811	4.8
587.06549	3.4
589.06042	2.5
591.06970	3.0
595.06763	3.2
597.04657	10.0
601.06659	2.4
603.07129	3.0
607.06525	6.3
615.06244	17.2
619.06714	6.1
621.08820	2.1
623.06415	2.1
625.05304	5.1
627.06940	2.7
633.07422	7.8
637.07965	4.7
639.08929	2.4
649.08002	6.3
651.06097	2.9
653.07135	2.2
655.08868	2.5
663.06293	3.4
667.09125	6.0
675.06244	2.3
685.10822	3.9
693.06671	2.3
703.11249	3.3
711.09015	3.1
719.10016	3.7
729.09192	3.1
747.09821	5.8
765.10736	3.4
801.77673	1.9
1005.11371	3.1
1019.08234	5.6
1049.09497	3.1
1067.12891	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	3.2
55.05514	10.7
65.03942	4.7
67.05506	100.0
68.05845	0.8
69.07073	5.7
71.57915	0.6
77.91008	0.4
77.99978	0.5
79.05498	9.4
80.06292	0.9
81.03419	4.1
81.07059	29.7
82.06591	0.8
82.07351	0.5
84.00359	0.4
86.00672	0.6
86.50625	1.5
87.00459	2.5
89.03558	0.3
91.05481	1.6
94.04176	0.7
94.07833	1.2
95.04946	0.6
98.51243	0.5
105.07032	0.4
107.08601	3.8
109.02877	1.4
109.06519	2.9
109.07647	1.4
109.08510	0.9
109.10158	41.0
110.06052	3.2
110.10496	0.6
112.96706	0.8
113.96407	1.3
119.48658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53387	0.5
52.50652	0.4
53.03952	6.8
55.05511	11.1
55.24197	0.5
64.98653	1.3
65.03941	4.8
67.05506	100.0
68.05833	0.8
68.24608	0.5
69.07071	6.6
69.61378	3.4
71.31007	0.6
72.40266	0.6
79.05498	10.7
80.06277	1.3
81.03419	14.1
81.07058	35.9
82.06584	1.0
84.74162	0.5
86.05774	0.5
87.00471	1.1
91.05466	2.0
94.04187	2.3
94.07799	1.5
94.09312	0.5
95.04958	1.0
98.20969	1.9
107.04985	0.9
107.07992	0.6
107.08595	4.1
109.02900	3.3
109.06521	9.6
109.07660	1.3
109.10159	48.6
110.06072	2.8
110.10485	0.7
114.19146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11827	0.5
53.00308	0.5
53.03948	9.0
55.01872	0.9
55.05516	11.1
65.03947	5.7
66.04741	0.6
67.05507	100.0
68.05842	0.5
69.07068	6.5
70.82375	0.7
70.82713	0.8
79.05495	10.8
80.06272	1.4
81.03422	15.0
81.07061	33.0
86.00709	0.6
91.05492	2.0
94.04216	2.3
94.07816	1.5
98.21114	0.8
105.01383	0.4
107.04926	0.8
107.08598	4.0
108.89605	0.6
109.02891	3.6
109.06526	9.5
109.07674	0.9
109.10161	46.2
110.06051	2.2
110.10468	0.7
111.54668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00301	0.5
53.03955	2.2
55.05512	10.7
65.03952	4.3
65.11808	0.4
67.05506	100.0
68.05849	0.7
69.07071	5.7
69.92892	2.0
71.11157	0.5
72.65808	0.5
79.05501	10.0
80.06271	1.5
81.03442	1.2
81.07060	31.3
82.06576	0.6
83.79538	0.5
86.50629	0.5
87.05473	0.5
90.99577	0.5
91.05474	1.1
94.07819	1.1
98.20854	0.9
98.21409	0.5
104.05898	0.5
105.07052	0.6
107.08601	3.7
109.06499	1.5
109.10161	41.9
110.06061	2.2
110.10480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	18.6
55.01868	2.1
55.05519	11.2
65.03946	12.3
67.05506	100.0
69.03419	1.7
69.07072	6.7
70.47449	0.8
70.76090	2.2
79.05496	30.5
80.06260	1.6
81.03419	27.6
81.07058	57.7
82.07403	1.2
87.00489	1.2
91.05483	27.4
94.04189	35.0
95.05015	1.6
98.20994	1.1
104.83804	1.0
107.04956	17.0
107.08605	5.0
109.02875	7.7
109.06523	72.7
109.10157	48.9
110.06039	4.0
110.06744	1.0
111.04439	2.9
113.38100	0.8
118.34435	0.9
119.06120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	3.5
53.61080	0.6
55.05261	0.7
55.05516	11.9
55.86242	0.7
65.03943	4.4
66.02885	0.6
67.05508	100.0
68.05836	1.0
69.07072	6.3
69.21155	0.6
69.99664	3.1
78.44373	0.6
79.05493	10.1
80.06290	1.8
81.03424	4.8
81.07060	35.9
82.07373	0.8
91.05474	1.7
94.04195	1.3
94.07841	1.8
100.78411	0.6
105.07064	0.6
107.04851	0.7
107.08609	3.1
109.02879	0.8
109.06525	5.1
109.10161	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02386	0.6
52.44572	0.5
53.03951	15.5
54.39733	0.5
55.01877	6.8
55.05511	8.7
64.98658	0.7
65.03947	6.4
66.04720	1.1
67.05507	81.6
69.07062	4.5
71.57224	0.9
79.05496	47.8
80.05860	0.8
80.06289	1.4
81.03423	17.6
81.07059	57.5
82.06564	0.9
82.07402	0.6
83.16726	0.5
83.44205	0.5
86.00712	0.6
87.00477	1.4
91.05487	13.6
94.04191	5.9
94.07829	0.8
95.04976	1.0
98.20932	0.7
107.04982	1.6
107.08596	2.6
109.02889	5.0
109.06524	100.0
109.10158	35.0
110.06055	3.3
110.06723	0.7
110.10470	0.6
113.96473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
52.85062	0.5
53.00333	0.8
53.03949	22.0
53.62791	0.5
55.01878	3.1
55.05514	11.1
61.82424	0.6
64.98670	0.9
65.03943	8.5
66.04726	0.8
67.05505	100.0
68.05833	1.2
69.07068	7.7
79.05491	21.7
80.06271	1.1
81.03419	39.3
81.07058	46.7
84.29529	0.6
91.05482	13.9
92.01153	0.6
92.05780	0.7
94.04190	17.3
94.07854	1.3
95.05005	0.7
107.04958	8.0
107.08614	3.4
109.02882	9.6
109.06522	47.1
109.07707	1.7
109.10157	46.6
110.06071	2.7
110.06753	0.8
110.10480	0.6
111.04476	1.5
119.06052	1.4
121.03961	0.7
128.00011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03950	17.5
55.01877	2.1
55.05510	11.1
61.41730	1.0
65.03949	13.2
67.05505	100.0
69.03427	1.0
69.07069	7.4
69.90632	4.9
69.96789	0.9
79.05494	29.0
80.06282	1.5
81.03420	32.9
81.07058	62.1
91.05479	29.5
94.04189	33.0
94.07825	1.6
98.20858	2.1
107.04958	13.6
107.08585	3.0
109.02896	6.6
109.06519	74.5
109.10158	48.3
110.06004	1.7
111.04456	3.0
115.01888	1.0
121.03953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01874	4.0
81.03419	1.8
83.97653	0.6
85.02881	0.8
89.03915	1.4
91.05454	1.5
91.55719	0.6
95.04985	0.6
95.30211	0.6
97.02874	0.8
103.05464	1.6
105.03379	1.0
107.01344	0.9
107.04874	0.6
109.02872	2.4
114.63885	0.7
119.04934	1.1
121.02816	0.8
123.04462	0.9
125.02330	1.7
129.03329	0.7
131.04933	1.3
135.04486	0.8
137.02333	1.8
143.03395	3.2
145.02849	1.7
145.84848	0.6
146.03517	0.8
147.04440	2.0
151.03932	0.7
153.01836	22.6
153.02962	2.2
157.02872	1.9
159.04422	1.6
161.02388	1.1
163.03877	3.1
165.01840	1.8
165.07014	1.2
173.02356	2.8
174.03029	1.0
175.03915	4.3
177.01845	1.3
179.03407	1.8
181.06483	2.0
185.02357	2.7
187.03915	5.8
189.01793	0.9
189.06926	1.0
191.03423	3.2
191.08513	0.7
192.04185	0.8
193.01363	2.1
195.02881	4.2
195.04405	0.6
197.06001	2.0
199.03864	0.9
201.01842	4.9
202.02611	1.0
203.03415	5.6
205.01326	0.8
205.04849	0.7
205.06522	1.4
207.02876	1.4
209.05991	1.6
212.52339	0.7
213.01826	2.9
213.07109	0.9
215.03410	5.0
217.01263	0.9
219.02876	4.3
219.08052	1.6
220.03717	1.1
221.05963	2.1
223.04002	0.7
225.05434	3.0
229.01326	4.3
230.02005	1.6
231.02872	21.7
232.03419	0.7
233.06190	1.2
235.04041	1.1
235.07611	0.9
237.05472	4.3
241.01285	4.3
241.04881	1.2
243.02913	1.2
243.06483	0.9
245.06259	0.8
246.99983	1.2
247.02328	10.0
247.07594	1.3
248.03160	1.1
249.05464	1.7
251.06987	0.7
253.04973	6.6
257.00824	5.6
257.06192	1.1
259.02362	27.5
259.07425	1.2
260.02914	1.3
261.03604	1.2
261.05807	1.0
263.03632	1.7
263.07037	2.0
265.04987	4.0
267.06625	0.7
269.04361	1.4
271.02936	0.7
271.05899	1.5
273.00449	1.3
273.05637	1.4
275.01736	11.5
275.07059	2.3
276.02637	21.5
277.03378	51.5
278.03845	1.2
279.02823	1.2
279.06882	0.9
281.04434	13.1
283.02844	0.7
283.06070	2.5
285.00360	4.6
285.05472	0.9
287.01807	1.0
287.07053	2.3
289.04837	3.4
290.05826	0.8
291.02936	2.1
291.06586	2.7
292.03683	0.6
293.04434	5.9
294.05032	0.8
295.02658	1.0
295.05981	1.1
297.04001	2.1
299.01974	1.8
299.05588	1.9
300.99796	1.8
301.04907	1.0
302.00620	2.7
303.01321	37.6
303.06335	4.1
304.01620	0.9
305.04440	4.3
306.05176	0.9
307.02277	1.6
307.05920	1.4
309.03952	10.2
310.04709	1.1
311.02219	0.7
311.05399	3.0
312.84064	0.6
313.04068	2.0
315.01505	1.9
315.06503	1.9
317.04401	2.6
319.02383	2.0
319.06024	3.7
321.04013	7.5
322.04468	0.9
323.01974	1.3
323.05548	2.3
324.02783	0.8
325.03644	2.4
327.01465	1.2
327.04971	12.4
328.99362	1.0
329.04367	1.3
330.05051	0.7
331.02679	0.8
331.05997	3.8
333.03836	3.5
333.07336	0.8
334.04449	1.3
335.01801	1.8
335.05475	3.6
337.03418	11.3
337.06958	0.5
338.04019	1.2
339.01273	1.4
339.05054	3.7
341.03543	2.4
343.06046	2.7
345.03860	3.6
346.04660	1.0
347.01755	1.9
347.05569	3.5
349.03439	4.0
349.07162	1.4
350.03842	1.0
351.01096	1.0
351.04941	3.0
353.02832	4.7
354.03680	0.7
355.04498	9.2
357.03842	2.0
358.04977	0.9
359.05368	4.3
361.03342	3.5
361.07257	1.2
362.04111	1.0
363.01230	1.7
363.05002	5.1
365.02917	21.2
365.07455	1.3
366.03189	1.3
367.04602	4.5
369.03494	1.1
371.05499	2.4
373.03354	2.4
374.04108	1.2
375.00995	0.9
375.05185	3.7
376.01944	1.3
377.02588	5.1
377.06671	1.8
379.00424	1.3
379.04501	4.6
381.02274	3.5
383.03946	16.4
385.03253	1.5
387.01321	0.7
387.05109	6.4
388.05618	1.3
389.02499	5.7
389.06839	1.6
390.03418	1.8
391.04575	6.4
393.02185	9.2
394.02737	0.9
395.03955	6.2
397.03235	1.3
399.04904	2.5
401.02838	2.6
402.03281	0.8
403.04657	6.3
405.01682	4.7
405.06287	2.3
406.03220	1.1
406.99438	1.1
407.04019	2.4
408.00894	0.8
409.01678	3.9
411.03418	9.4
413.03708	2.0
415.04633	7.3
417.02164	2.0
417.06750	0.9
418.03104	1.7
419.04227	6.7
420.04565	0.7
421.01584	9.9
422.02505	3.4
423.03534	4.8
425.02261	1.5
426.02621	0.7
427.03381	4.0
429.02435	3.5
431.04538	3.9
433.01816	3.4
433.06140	2.4
435.03720	4.1
437.01123	7.6
438.01694	0.8
439.02963	100.0
440.03375	3.6
441.03461	1.0
443.03958	7.0
445.05566	2.6
446.02719	1.7
447.03870	5.6
448.04239	1.3
449.01367	2.6
451.02948	11.4
453.00098	0.8
453.05457	3.9
455.02408	4.8
457.04028	3.8
459.03635	6.6
460.04245	0.8
461.05341	6.4
463.02722	8.7
464.03778	1.1
465.00803	5.8
465.05310	2.3
466.01154	0.7
467.02243	11.7
469.03995	20.5
470.03577	0.9
471.03436	6.6
472.04068	0.8
473.05283	1.1
475.02994	5.7
476.99594	0.9
477.04678	2.8
479.01993	2.5
479.06573	2.0
481.03671	2.7
483.05167	1.8
487.02808	5.8
488.03354	1.2
489.04443	13.5
491.01892	3.1
493.04056	20.3
494.03870	1.0
495.01807	23.6
496.02390	1.2
499.02829	3.3
505.03992	52.1
506.04092	1.8
507.05603	12.5
517.04022	45.7
518.04175	2.6
519.04956	0.7
523.05096	10.6
525.06641	1.4
535.05066	57.3
536.05212	2.6
553.06165	13.2
561.03003	1.1
571.06854	0.9
579.04010	2.3
597.05042	6.4
615.06250	6.7
616.07092	0.7
617.04633	0.8
633.07202	7.7
767.07367	0.9
873.06097	1.1
917.06750	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	1085.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
75.66658	1.6
77.03880	1.4
79.04117	1.5
80.55497	1.4
81.03399	5.2
83.01328	1.4
85.02901	6.0
91.05483	2.6
95.01308	3.8
97.02900	14.6
103.05437	2.7
109.02869	2.9
115.03968	2.2
121.02814	1.4
131.04912	2.5
137.02321	3.2
145.02808	3.0
147.04396	3.3
149.02260	2.2
157.02818	2.9
163.03922	2.7
165.01828	2.1
171.04453	1.8
173.02342	5.1
175.03928	4.2
185.02336	3.5
187.03935	11.0
189.01816	1.9
191.03395	5.1
191.05547	1.4
193.01346	5.3
195.02863	9.6
201.01802	9.1
203.03406	9.5
207.02829	3.0
209.06036	1.7
213.01805	8.7
215.03513	7.4
216.03941	1.4
219.02884	4.6
225.05482	2.2
229.01344	9.7
229.04984	1.9
230.02065	3.5
231.02879	33.2
232.03305	5.4
238.11087	1.6
241.01317	6.1
243.02940	1.5
247.02361	11.2
253.04970	3.3
255.06493	2.6
257.00830	12.2
259.02383	50.5
260.02701	6.2
261.05658	1.8
263.06924	1.6
265.05026	3.7
269.04446	5.0
273.03891	1.9
275.01862	20.8
276.02658	14.9
277.03406	100.0
278.03809	10.2
279.02884	2.3
279.06339	2.7
281.04529	6.8
283.02454	2.8
283.05884	2.4
285.00287	11.1
285.03760	3.7
286.00784	2.4
287.07190	1.8
291.06427	3.2
293.04459	3.9
295.05875	2.3
297.03857	3.4
299.05399	3.0
301.03354	3.0
302.00455	2.9
303.01343	93.3
304.01663	7.5
305.04663	2.4
307.02344	2.7
307.05688	2.8
309.00769	1.6
309.03900	6.6
309.07120	1.9
311.01877	3.3
311.05118	3.5
313.03296	4.5
315.01324	1.5
317.04266	4.1
317.07712	2.1
319.02499	2.3
319.05991	4.0
321.03625	5.8
321.07315	2.3
322.04434	2.1
323.01697	4.5
323.05490	4.9
325.03287	6.4
326.04080	1.6
327.01529	3.4
327.05072	6.2
329.02969	3.3
331.05930	3.3
333.03833	5.9
335.05475	3.7
337.03403	11.7
338.03735	2.1
339.01212	6.5
339.05182	5.2
340.02029	2.7
341.03000	3.4
342.03500	1.6
343.05991	2.1
345.03903	3.8
345.07745	2.4
347.01721	2.4
347.05511	3.6
349.03278	6.9
351.01236	3.2
351.05035	6.1
353.02808	9.9
354.03741	4.4
355.04529	7.0
357.02881	2.1
359.05270	2.6
361.03223	4.4
361.07245	1.9
362.03909	1.9
363.04913	4.0
365.02823	13.3
365.06540	2.0
366.03470	3.4
367.00705	3.5
367.04468	6.5
369.02319	8.2
371.04941	3.0
375.05014	2.9
376.05594	2.2
377.02737	8.0
379.00357	2.9
379.04697	7.0
381.02344	7.7
382.03323	2.4
383.00122	4.3
383.04279	14.9
384.00870	2.5
387.05045	2.6
389.02777	3.4
391.04456	4.9
393.02036	10.2
393.06793	2.2
394.03015	2.6
394.99503	7.3
395.04523	8.8
397.01706	3.5
397.06354	1.9
399.04352	3.3
401.02106	2.6
401.06592	4.2
403.04254	5.6
404.05493	1.9
405.01868	6.8
406.02975	2.6
406.99365	1.9
407.04099	7.3
409.01727	3.9
411.03589	10.3
413.01199	13.7
413.06198	2.2
415.04340	2.8
417.06259	2.4
419.03928	5.2
420.04703	1.6
421.01279	10.1
421.06625	2.5
422.01889	2.0
423.03592	10.9
425.01257	5.1
427.03455	2.5
429.06232	2.8
431.03882	4.6
433.01199	2.7
433.06146	2.7
435.03253	4.6
437.00824	3.8
437.05841	3.2
439.02902	16.8
440.03271	3.2
443.03848	2.8
445.06046	2.6
447.03238	3.3
449.01108	5.1
449.06085	2.0
450.02664	1.6
451.02802	8.6
452.03311	2.7
453.04901	3.2
459.03610	4.1
460.03302	1.6
461.05423	2.7
463.02243	3.4
464.03195	1.8
465.04846	2.5
467.02448	18.3
468.03015	2.2
469.04111	14.4
470.04199	6.1
471.03497	2.3
473.04919	4.0
475.06219	4.2
476.99976	2.5
477.04990	2.4
481.04227	1.9
485.04199	2.7
489.03799	4.7
491.06528	3.3
493.03867	5.8
494.04233	3.2
495.01727	32.9
496.02350	16.1
497.03604	2.7
501.03583	4.6
503.06000	2.2
505.03885	3.5
507.05975	3.9
509.03250	2.3
510.04474	2.1
511.04892	5.3
512.05341	2.1
513.02991	37.3
514.03357	2.2
515.03094	1.5
517.03986	5.4
519.05347	6.1
520.05841	2.9
523.04700	3.1
525.05225	1.7
529.04980	1.9
531.04199	20.8
533.03064	3.4
535.05353	9.7
536.05103	4.0
537.03058	2.5
539.04614	2.9
541.05060	2.5
543.05688	2.8
545.03918	2.3
547.04938	5.6
548.05536	3.2
549.06348	3.4
551.04443	4.8
553.06097	6.6
554.06018	2.6
557.04962	2.3
559.04395	2.8
561.05634	2.4
563.04150	3.5
565.05872	4.9
569.05615	4.2
571.06683	7.2
573.06256	2.4
579.03693	9.2
581.04938	5.7
583.06744	2.9
589.05890	6.1
591.07220	3.0
595.06824	5.2
597.04999	14.2
598.06195	6.9
599.06177	4.5
601.06091	3.3
603.05951	1.9
605.05725	1.7
607.06543	5.0
613.06030	3.3
614.06030	1.8
615.05774	7.3
619.07074	3.5
625.08667	3.5
631.07056	4.5
633.06842	3.5
637.07556	4.5
639.09863	2.2
649.08185	9.7
655.08813	2.6
667.09247	10.6
673.06012	2.9
685.10034	6.2
687.07520	1.9
693.07184	2.1
699.08307	2.4
703.10651	3.9
711.07800	3.3
729.08655	6.1
747.10162	7.8
765.11304	32.2
1001.07581	1.9
1019.08856	3.5
1049.09131	5.5
1067.12219	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05504	1.9
81.03428	6.1
85.02913	3.3
88.37883	1.1
89.03918	1.0
90.64137	0.8
91.05489	3.0
95.01330	5.8
97.02917	4.5
103.05475	2.3
105.03375	1.7
107.04965	1.7
109.02905	2.7
119.05009	1.6
121.02877	2.1
123.04412	2.1
128.55077	0.8
129.03392	1.1
131.04947	3.0
133.02859	1.2
137.02319	1.9
139.03987	0.9
145.02878	2.3
147.04413	4.6
151.03923	1.5
153.01834	2.3
157.02905	4.5
159.04430	1.5
161.02377	2.8
163.03946	4.7
165.01918	1.3
171.04428	1.9
173.02376	2.6
173.06042	1.2
173.08878	1.0
175.03922	5.7
177.01868	2.3
177.05501	1.0
179.03404	5.0
183.04399	1.3
185.02335	2.9
187.03917	12.1
189.01869	1.4
191.03409	5.2
192.04192	1.3
193.01349	1.5
195.02901	2.3
199.03891	1.9
201.01912	6.3
202.02765	1.1
203.03397	11.8
207.02832	5.6
208.03586	1.5
211.03996	1.2
213.01880	6.8
213.05315	1.1
215.03395	8.8
216.04146	1.8
217.05058	1.4
219.02863	6.2
221.06038	1.0
227.03369	2.2
229.01392	4.8
229.04898	1.8
230.02228	1.4
231.02885	40.0
232.03477	4.6
237.05565	1.7
239.03352	1.0
241.01361	7.4
241.05035	2.5
243.02931	3.4
244.03583	1.2
245.04512	3.2
247.02380	10.1
249.05534	1.9
253.04781	1.3
255.02898	2.8
257.00861	7.1
257.04373	2.5
259.02386	55.7
260.02991	2.0
265.05084	2.0
267.02850	1.6
269.04514	2.8
271.02405	1.7
271.07504	1.2
273.00247	1.2
273.05402	1.8
275.01794	15.8
275.06897	1.8
276.02634	20.7
277.03424	100.0
278.03818	2.3
279.06384	1.2
281.04388	3.5
283.02219	1.4
285.00327	3.9
285.03622	2.0
287.01901	2.3
287.07126	2.4
289.03217	1.6
289.05399	1.1
291.03131	0.9
291.06512	2.1
293.04425	3.3
294.05371	1.1
295.02423	1.6
297.04016	1.8
299.01773	1.3
299.06995	2.2
300.99789	2.9
301.04828	1.7
302.00665	1.8
303.01340	45.3
303.06674	3.0
304.01599	1.5
305.04410	4.3
307.06180	2.5
309.04099	2.8
311.01859	1.4
311.05032	1.6
312.99976	1.2
313.03397	2.5
315.01196	2.1
315.06448	3.9
317.04431	2.5
317.07996	1.7
318.05151	1.1
319.05997	2.7
321.04083	4.6
323.01965	1.9
323.05566	2.8
325.03516	2.8
327.01440	1.2
327.05582	4.6
328.99393	1.6
329.04269	1.6
331.05981	4.7
333.04010	4.9
333.07486	1.1
335.01883	1.9
335.05588	3.4
337.03564	4.0
339.01297	1.2
339.05493	2.8
341.03900	1.5
343.01297	1.0
343.06018	6.1
345.03842	4.5
345.07672	1.9
346.04749	1.3
347.05685	4.6
349.03452	3.2
349.07288	1.3
351.01376	2.7
351.05167	2.9
353.03113	3.4
354.04901	1.3
355.06015	5.2
357.03748	2.1
357.07626	1.7
358.04715	1.2
359.05554	5.0
361.03391	6.1
361.07291	1.9
362.04276	1.7
363.01019	1.8
363.05252	4.5
365.02774	6.9
367.04968	3.4
369.03171	2.1
371.05508	6.9
373.03412	2.9
373.07440	1.4
374.04251	2.3
375.05264	4.6
377.02655	5.5
377.06992	1.4
378.03818	1.9
379.00772	2.6
379.04865	4.3
381.02762	3.1
382.04272	0.9
383.05002	4.8
385.03107	1.9
385.07416	1.4
387.05164	6.8
388.05588	1.6
389.02362	6.9
389.06711	2.6
390.03564	1.4
391.04660	5.2
393.02438	3.2
393.06668	1.2
395.03973	4.8
397.02859	1.7
398.03247	1.3
399.05121	5.2
401.02118	1.3
401.06589	3.3
402.03308	1.8
403.04654	8.1
404.05450	1.6
405.02356	3.3
407.00018	2.5
407.04324	3.7
409.01959	3.9
411.04431	4.9
413.02405	1.7
413.06342	1.3
415.04480	7.2
417.01700	2.4
417.07025	5.1
418.03006	1.8
419.04117	7.8
420.04834	1.3
421.02051	3.2
422.02710	1.6
423.04568	5.9
426.02826	1.3
427.04263	9.8
429.01883	2.5
429.06137	4.0
430.02710	1.6
431.03888	5.6
432.04532	1.3
433.01837	3.5
435.03763	4.7
437.00757	4.8
438.02332	1.3
439.03168	15.1
440.03888	1.5
441.06577	1.3
443.03876	8.2
445.00974	2.3
445.05731	4.0
446.02264	1.2
447.03363	7.7
447.90674	1.0
448.04568	1.6
449.05734	1.3
451.02969	7.3
453.00916	7.0
453.05417	4.2
454.02640	1.1
455.03741	7.5
457.05408	4.0
459.03360	6.4
460.03702	2.6
461.05859	4.8
463.02692	7.6
464.04181	1.4
465.00397	1.7
465.05707	1.7
466.02902	1.7
467.02802	4.3
469.04327	8.8
470.03674	1.2
471.03210	6.5
472.04166	1.5
473.05551	7.3
475.03070	4.0
477.04694	6.8
479.02805	2.9
481.04575	5.2
483.03592	4.6
485.04919	4.1
487.02722	5.5
488.03638	1.6
489.04575	9.9
491.02505	4.2
493.04028	13.0
495.01984	5.8
497.04013	3.0
499.03043	4.1
500.03207	1.1
501.04544	10.7
503.02597	3.0
503.05692	3.0
505.03989	11.4
507.05826	13.0
509.03522	5.5
511.05139	8.6
512.04175	1.4
513.04449	4.6
515.02271	2.3
516.02710	1.3
517.03918	10.7
518.04663	1.4
519.05707	25.7
520.06128	1.4
521.03235	9.0
523.05084	15.3
525.04175	1.1
527.02283	1.1
529.03973	18.3
530.04437	3.0
531.05865	11.0
533.03271	10.7
535.05121	37.2
536.04907	2.3
537.02887	8.1
539.05194	1.2
541.03845	2.6
543.04761	4.2
545.03162	9.9
546.04291	1.1
547.05304	28.9
548.05640	2.1
549.06964	4.3
551.04614	3.7
553.06018	7.8
555.04846	1.2
557.03265	2.0
559.05212	14.4
561.02649	18.9
563.04468	8.4
565.06134	6.0
567.06958	1.7
571.05603	6.1
573.02673	12.7
575.04663	3.7
577.06226	11.0
579.03802	5.5
581.05322	5.3
583.05560	8.4
585.04614	4.5
587.05786	1.7
589.06335	8.8
591.03986	5.2
593.05475	2.4
595.06396	7.1
597.04767	4.3
599.05652	2.1
601.06158	17.9
603.04309	3.2
607.06055	2.9
609.04681	3.0
613.06305	7.9
615.03925	4.1
619.06848	6.3
621.04840	1.5
627.03925	4.4
631.07098	12.4
633.04694	2.2
633.27240	1.0
637.07941	2.0
639.04370	1.8
645.04858	2.5
649.08490	11.2
657.05200	3.1
663.05865	3.3
667.09332	5.9
675.05859	4.2
681.07458	1.5
685.10559	2.7
693.07220	4.2
711.07904	2.2
729.09174	5.4
747.10620	1.5
849.46674	1.2
1049.08997	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
51.02393	0.8
52.58093	0.6
53.03949	4.6
55.01872	1.0
61.01152	0.8
61.46341	0.5
61.89750	0.5
61.96413	0.5
62.99078	59.8
63.99850	1.0
65.03947	13.1
67.05508	4.6
69.67442	4.0
77.03939	0.7
79.01823	0.7
79.05495	33.0
82.59870	0.5
91.05483	100.0
92.05772	0.6
92.06276	2.7
95.04977	8.2
98.20833	1.1
98.21416	1.1
103.05433	1.0
103.60247	0.6
105.04529	2.0
105.07034	28.8
106.04202	0.8
107.01717	3.0
107.04962	21.4
107.08595	30.2
108.04501	1.0
108.08128	1.3
109.06525	15.1
119.06065	5.9
124.05280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02384	0.5
53.03949	3.7
55.01867	0.5
62.99083	5.7
65.03944	13.1
67.05510	3.4
69.79185	1.2
69.79602	1.4
77.03932	0.8
79.05494	22.0
80.65060	0.4
88.52068	0.4
91.05481	100.0
92.05836	0.7
92.06268	2.5
95.04963	4.3
98.21149	1.2
103.05438	0.8
105.04520	1.2
105.07033	29.4
105.75353	0.4
106.04166	0.9
107.04284	0.9
107.04959	11.6
107.08592	31.3
109.06522	13.3
119.06075	6.1
124.05216	0.6
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	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
51.02386	1.6
51.19812	0.4
53.00317	0.4
53.03954	4.4
53.15657	0.3
55.01878	2.1
62.99082	12.4
63.99866	0.4
65.03947	13.9
67.05513	3.5
75.91380	0.4
77.03938	0.7
79.01850	1.8
79.05499	27.2
80.05061	0.5
81.03432	0.6
91.05488	100.0
92.05772	0.6
92.06287	2.5
95.04978	6.6
103.05535	0.8
105.04518	1.4
105.07037	28.5
106.04177	0.5
107.01283	2.0
107.04963	16.7
107.08600	31.2
108.04500	0.6
108.05280	0.4
108.08128	0.8
109.06528	13.3
119.06068	6.6
124.05234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02370	1.2
53.03948	9.6
55.01871	2.1
61.49976	0.3
62.99076	4.3
65.03648	0.3
65.03945	3.8
67.05495	1.0
70.15317	0.3
71.15270	0.3
71.15580	0.6
72.01389	0.3
77.03931	2.0
79.01859	0.4
79.05493	17.7
80.05003	0.3
80.05819	0.4
81.03403	1.1
85.77990	0.3
91.05483	29.9
92.06278	1.0
93.05768	0.3
95.04971	12.8
101.33093	0.3
101.33851	0.3
105.04531	3.8
105.06485	0.2
105.07034	8.2
107.04955	100.0
107.08594	8.1
108.04636	0.3
108.05274	1.3
108.08142	0.6
109.06532	3.9
118.06528	0.3
119.06071	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02375	2.2
53.03951	18.8
55.01871	3.8
61.68345	0.6
62.99079	16.5
65.03942	8.0
67.05502	2.3
69.60918	4.4
77.03925	3.2
79.01871	1.0
79.05495	44.9
81.03403	1.9
91.05484	51.3
92.06274	1.2
95.04973	26.3
98.20850	0.9
105.04528	7.6
105.07034	14.1
107.01675	1.0
107.04960	100.0
107.08597	16.2
108.05285	1.1
108.08128	0.6
109.06512	6.2
119.06070	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.13666	0.3
53.03949	1.1
55.01873	0.5
62.99083	2.5
65.03945	14.2
67.05515	2.7
71.18172	0.7
77.03926	0.5
77.41840	0.3
78.66842	0.4
79.05498	12.1
80.05087	0.3
91.05488	100.0
92.05847	0.6
92.06273	2.2
95.04989	2.0
103.05474	0.6
105.04547	0.7
105.07037	32.0
106.04167	0.5
107.04960	2.3
107.08601	34.3
108.08128	1.2
108.08935	0.5
109.06531	14.5
119.06073	6.8
124.05202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.5
51.02387	1.4
53.03949	9.7
54.04279	0.3
55.01868	2.7
59.76986	0.2
60.46228	0.3
61.01131	0.3
62.99078	26.6
63.99871	0.4
64.18384	0.2
65.03941	2.6
67.05500	0.8
69.45170	1.5
69.45583	0.6
77.03918	1.7
77.86938	0.3
79.01855	0.9
79.05496	17.5
80.05008	0.8
81.03422	1.3
91.05486	19.5
92.06289	0.7
93.05743	0.4
95.04972	13.9
98.20859	0.6
98.21515	0.6
103.17001	0.3
105.04510	4.3
105.07037	5.7
107.01647	1.1
107.04958	100.0
107.08594	6.3
108.04536	0.6
108.05296	1.3
108.08119	1.2
109.06527	3.2
119.06070	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	1067.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	3.7
85.02914	3.9
89.03889	0.7
90.57857	0.5
91.05479	1.2
93.03414	0.7
95.01319	3.5
95.04999	0.7
97.02900	3.8
98.21321	1.3
101.02404	0.8
103.05484	1.2
105.03438	0.8
107.04936	0.6
109.02888	7.3
110.00100	0.5
119.04916	1.3
120.63765	0.5
121.02866	1.4
123.04443	1.5
125.83630	0.5
129.03384	0.7
131.03392	1.9
131.04971	1.2
133.02867	2.7
135.04414	1.1
137.02341	6.7
139.03857	1.0
139.05513	0.5
145.02859	0.9
147.04416	2.4
149.02347	0.6
151.03960	1.0
156.17424	0.6
157.02850	1.4
159.04390	1.0
161.02347	1.3
163.03908	3.2
165.01872	4.8
165.06879	0.6
166.02637	0.7
167.01920	0.6
167.03413	0.6
171.04437	0.8
173.02373	2.1
174.03217	0.6
175.03906	3.8
177.01842	1.6
179.03392	2.3
181.04961	0.6
181.06502	0.7
183.04440	0.9
185.02350	1.5
187.03920	5.3
189.01845	0.8
191.03416	3.2
192.04161	1.1
193.01321	8.5
193.04993	0.6
195.02898	14.1
195.04384	0.6
197.05896	0.6
201.01816	4.2
202.02568	1.5
203.03423	4.9
205.01300	0.7
205.06586	0.9
207.02855	4.2
207.04520	0.8
208.03760	0.8
209.05914	0.8
213.01840	3.3
215.03401	5.7
216.04141	0.9
217.01389	1.1
219.02879	4.2
220.03674	1.5
221.06009	1.5
225.05418	1.4
229.01308	4.7
230.02031	1.8
231.02890	21.1
231.05185	1.0
231.08072	0.8
232.03558	1.1
233.00922	0.7
233.04309	0.7
235.02258	1.1
237.05469	2.0
239.03439	0.9
241.01280	3.6
241.04999	0.6
243.02951	0.9
245.00771	0.7
245.04361	1.0
247.02376	7.3
247.07581	0.7
248.03069	0.8
249.05521	1.7
253.04964	2.1
255.02954	0.8
255.06279	0.5
257.00848	5.2
257.03354	0.6
257.04230	0.5
258.01459	1.0
259.02383	28.9
260.02933	1.5
261.05820	0.8
263.03482	0.6
265.05066	3.3
269.04544	1.7
271.02676	0.5
273.00293	2.2
275.01846	13.3
276.02646	21.1
277.03387	53.8
278.03787	1.7
279.02948	0.6
279.06445	0.7
281.04352	3.9
283.05844	0.9
285.00308	4.2
285.03510	0.8
287.01773	0.8
287.07114	0.9
289.04510	0.9
291.02997	1.0
291.06287	0.8
293.04355	3.3
295.02603	0.7
295.06094	1.0
297.00623	0.7
297.04037	0.9
299.01764	0.7
300.99869	4.9
301.05215	1.1
302.00580	6.1
303.01340	55.9
304.01727	1.5
305.04553	3.3
307.02527	1.1
307.05936	0.9
309.03946	3.7
311.05350	2.6
313.03528	1.1
315.01425	1.9
315.06790	0.6
317.04468	1.5
317.08008	0.6
319.02316	1.5
319.06049	2.6
320.02835	0.7
321.04120	5.4
322.04800	0.6
323.01804	0.7
323.05655	1.1
325.03500	1.6
327.05225	1.5
328.99323	0.8
329.04520	1.0
331.02341	0.9
331.06046	1.5
333.03909	3.3
334.04547	0.6
335.01828	0.7
335.05557	1.7
337.03406	8.5
338.04260	0.6
339.01282	1.3
339.05136	2.7
341.03040	1.4
343.06085	0.7
345.03638	1.5
347.01816	1.5
347.05566	2.0
349.03363	5.8
351.01431	1.4
351.05020	2.1
352.99301	0.6
353.03204	2.1
355.04663	2.4
357.03510	0.6
358.04669	0.9
359.01663	0.9
359.05582	1.9
360.02209	0.6
361.03305	3.5
362.04233	0.7
363.01187	1.8
363.05182	2.4
364.02057	0.7
365.02863	10.8
366.03461	1.4
367.04529	4.0
369.02267	0.7
371.05420	1.3
373.03339	1.8
373.07422	0.7
375.01089	1.3
375.05109	2.2
377.02905	4.8
377.06787	0.8
379.00372	0.9
379.04733	3.0
381.02451	2.0
383.04160	3.6
385.03320	1.1
387.00751	0.9
387.05423	3.2
389.02786	5.1
391.00391	0.9
391.04678	2.2
393.02319	11.4
394.03226	1.0
395.03949	5.7
397.02054	0.6
399.04868	1.3
401.02689	0.9
403.00748	1.9
403.05289	2.6
405.02194	6.0
406.02893	1.3
406.99600	0.6
407.04367	3.3
409.01547	0.8
411.03714	3.1
413.05759	1.4
415.04926	2.6
417.01425	2.4
417.06821	1.0
419.03909	3.3
420.04904	0.8
421.01816	9.3
421.06714	0.8
422.02670	1.8
423.03384	6.6
425.05161	0.7
426.02631	0.8
427.04089	2.9
429.02399	1.6
431.00165	2.2
431.04391	1.6
433.01089	3.5
435.03613	2.7
437.01398	1.9
439.02966	10.1
440.04065	0.9
443.03799	2.5
445.05554	1.8
447.03598	3.9
448.04083	0.8
449.01129	7.2
450.01505	0.6
451.02847	10.9
452.94473	0.5
453.00082	0.8
453.05139	1.7
455.03577	2.0
456.04507	0.8
457.05658	1.0
459.03546	2.1
461.04971	1.9
463.02655	4.0
464.04150	0.6
465.04489	1.8
467.02151	3.5
469.04080	31.0
470.03922	1.4
471.03540	2.6
473.04990	2.0
475.02899	1.8
476.99902	5.7
479.02826	1.5
481.04001	1.9
483.04263	1.5
485.04837	1.6
487.02966	1.5
488.03467	0.6
489.04605	4.4
491.02435	2.3
493.04001	6.6
495.01926	100.0
496.02606	3.4
497.03864	1.0
499.02960	1.1
501.04694	2.8
503.02264	0.7
503.05792	0.7
505.03912	4.9
506.04654	0.6
507.06442	2.9
509.03043	2.6
511.05188	9.7
513.03717	4.0
515.01550	0.7
517.03937	5.3
519.06201	5.7
521.03735	2.2
523.05591	2.8
525.04022	0.9
529.03998	2.1
531.05627	4.1
533.02509	2.9
535.05200	13.8
536.05377	0.7
537.02521	4.7
541.03955	1.5
543.05127	1.8
545.03363	2.9
547.05402	4.3
549.05066	1.8
551.04706	1.4
553.06085	8.9
555.05865	0.7
557.03619	0.7
559.05109	6.0
561.03339	4.8
563.04718	2.5
565.05792	1.3
569.05011	1.6
571.05548	3.4
573.04291	1.1
575.03973	1.1
577.05603	1.9
579.03705	3.5
581.05933	1.6
583.05817	1.9
585.06226	1.0
587.04352	0.9
589.06720	2.8
591.03882	1.3
595.05365	2.1
597.05121	25.5
598.05505	1.6
599.06500	1.4
601.06476	2.9
607.06854	1.6
611.05975	0.6
613.06238	3.4
615.05396	2.6
619.07172	0.7
625.07477	0.7
627.04437	1.0
631.07312	3.4
633.04596	0.6
639.04974	0.6
649.08246	2.9
651.06293	1.1
657.05139	0.6
667.09155	1.6
669.07416	0.7
675.05945	1.0
685.09613	0.8
693.06927	1.1
711.08118	0.7
729.09149	1.4
747.10767	0.6
765.11377	1.1
818.97595	0.7
839.20856	0.5
840.45081	0.7
1067.12048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	5.6
85.02911	3.5
91.05476	2.2
95.01328	6.3
95.04955	1.5
96.12513	0.7
97.02885	4.6
98.20853	1.1
98.21415	0.8
101.02359	0.9
103.05459	3.0
105.03377	1.4
107.04928	0.8
109.02843	2.0
115.05442	1.1
119.04899	1.9
121.02840	2.0
123.04432	2.3
131.04913	2.5
133.02840	1.5
135.04410	1.3
137.02335	1.2
145.02853	2.1
147.04442	5.6
153.01822	1.2
155.04980	1.0
157.02859	3.3
159.04434	1.9
161.02347	1.7
163.03923	4.9
165.01802	1.0
167.03339	0.7
171.04416	1.7
171.63931	0.7
173.02325	2.6
175.03909	6.8
177.01814	1.9
179.03412	3.9
181.06482	0.7
183.04355	1.2
185.02341	2.7
185.05945	0.8
187.03897	9.7
189.01797	1.1
191.03365	4.7
192.04150	0.7
193.01320	1.0
193.04944	0.8
195.02823	2.6
199.03918	2.0
200.04637	0.9
201.01884	4.5
202.02611	0.9
203.03424	11.1
203.08603	1.3
204.04060	0.9
205.01248	1.2
205.04796	0.9
205.06535	0.9
207.02867	5.9
208.03676	0.8
209.05931	1.0
213.01884	6.6
213.05367	1.2
215.03406	9.7
215.08533	0.7
216.04129	1.7
217.01260	1.4
217.04819	1.1
219.02881	6.0
221.06026	1.8
223.04056	1.0
225.05464	1.2
227.03391	1.8
228.04311	0.8
229.01350	4.2
229.04834	1.1
230.02016	2.1
231.02888	43.4
231.07895	1.5
232.03482	2.8
235.02211	1.1
235.07558	0.8
237.05505	2.2
239.03333	1.8
241.01357	5.3
241.04846	1.1
243.02968	3.6
244.03540	1.4
245.04500	2.9
247.02328	7.8
247.07617	1.2
249.05423	1.1
251.03577	1.1
253.04919	2.6
255.02997	3.3
257.00787	6.3
257.04153	1.5
258.01617	1.5
259.02390	47.8
260.02826	2.1
261.03781	1.5
263.03397	0.8
263.07010	1.3
265.04974	2.7
267.02850	1.9
267.06519	0.9
268.03638	0.7
269.04504	1.9
271.02332	1.7
271.07547	1.1
273.00320	1.1
273.03656	1.0
273.05771	1.2
274.99039	1.4
275.01849	15.6
275.06952	1.7
276.02640	16.9
277.03415	100.0
278.03723	3.5
279.02676	1.0
279.06409	0.8
281.04462	2.7
283.02615	1.2
284.03198	1.1
285.00266	4.2
285.03500	1.4
287.01898	2.4
287.06900	3.1
289.04785	2.5
289.07993	0.8
291.02872	1.1
291.06363	1.6
293.04456	3.5
295.02377	2.6
295.05750	1.1
297.03906	2.7
299.02042	1.2
299.07370	1.7
300.99683	1.7
301.04932	2.1
302.00601	1.0
303.01346	44.5
303.06680	2.8
304.01645	1.1
305.04453	4.0
305.07742	1.2
307.02216	2.1
307.05984	2.1
309.03812	3.9
311.05701	1.7
313.03613	2.6
315.01025	1.2
315.06412	2.9
317.04376	2.7
317.07916	1.2
319.05939	4.1
321.03766	2.8
322.04419	0.9
323.01797	1.7
323.05472	2.4
325.03867	1.5
327.05820	2.5
328.99283	1.8
329.04266	3.1
329.07956	0.9
331.06082	5.2
332.06732	1.0
333.03815	4.5
333.07397	1.1
334.04602	1.0
335.01947	1.0
335.05319	3.5
337.03354	5.3
338.03976	0.8
339.01260	1.6
339.05289	3.2
341.04227	1.6
342.04846	0.9
343.06055	4.3
345.03708	2.6
345.07504	1.5
347.01895	1.1
347.05463	4.5
349.03296	3.7
350.04327	1.7
351.01224	2.0
351.05066	2.5
353.02792	4.6
355.06091	3.9
357.03909	3.1
358.04538	1.9
359.05463	6.0
360.06238	1.4
361.03314	4.6
361.07263	1.8
362.04321	1.2
363.00922	1.1
363.05399	3.5
365.02789	5.9
365.07050	0.9
367.04449	3.6
369.03378	1.7
371.05563	5.7
373.03165	3.4
373.07370	1.3
374.03931	1.5
375.05035	4.7
377.02676	4.3
377.07004	1.3
378.03412	1.1
379.00571	2.8
379.04660	4.0
381.02728	2.3
382.03360	0.9
383.04669	5.1
385.03299	2.2
385.07416	1.1
386.03931	1.2
387.05154	6.8
388.05542	1.9
389.02600	8.0
389.06769	1.6
390.03348	2.2
391.00226	1.2
391.04849	4.3
393.02042	4.1
395.04276	4.5
397.02859	1.5
398.03214	1.0
399.05060	5.9
400.05771	1.1
401.02722	2.3
401.06631	2.5
402.03452	1.2
403.04626	8.8
404.05054	1.4
404.97797	0.9
405.01843	3.5
405.06598	1.6
406.03110	1.3
406.99969	2.4
407.04639	3.9
409.02060	3.5
410.03140	1.0
411.04474	5.3
413.02740	3.1
413.06934	1.1
414.03467	1.0
415.04663	7.8
416.05292	1.7
417.01968	2.5
417.06033	3.9
418.03000	1.4
419.03915	7.2
420.05020	1.0
421.01846	2.5
422.03006	0.8
423.04181	4.0
425.01770	1.3
426.02469	1.0
427.04172	7.4
428.05008	1.7
429.01852	2.7
429.06137	3.5
431.04016	5.6
432.04721	1.4
433.00949	1.5
433.05649	4.0
435.04239	3.7
437.01154	6.5
439.03149	13.7
440.04327	1.0
441.01453	1.4
441.06564	1.5
442.03122	1.0
443.04007	9.8
444.04712	2.3
445.06519	5.0
447.03638	5.9
448.04462	1.1
449.05679	1.4
451.02875	6.1
452.03699	1.1
453.00803	5.6
453.05215	3.3
455.03705	8.4
456.04425	1.6
457.06500	3.8
458.02359	0.9
459.03387	6.9
460.03882	1.2
461.05905	4.1
463.02802	9.4
464.03445	1.1
465.00656	2.8
465.05228	2.5
467.02832	4.5
468.04611	1.0
469.04230	10.3
471.03287	8.3
472.04370	1.0
473.05664	6.1
475.02289	3.4
477.05127	5.5
479.02609	3.0
481.04526	5.1
483.02954	4.5
485.05573	4.2
487.02643	5.2
488.03204	1.3
489.04507	10.8
491.02039	2.3
491.06271	2.6
493.04047	13.0
495.01831	4.6
497.04504	2.0
499.02710	4.6
501.04749	8.7
503.02695	2.2
503.05875	3.1
505.04016	11.1
506.04510	1.7
507.05807	12.8
508.05972	1.0
509.03607	6.3
511.04953	9.4
512.04730	1.1
513.04242	3.1
515.02020	2.4
517.03967	10.7
518.04871	1.1
519.05859	24.5
520.05951	1.0
521.03326	9.9
523.05444	10.8
525.04718	2.3
527.02783	2.3
529.03992	19.6
530.04517	1.9
531.06085	10.6
533.03223	9.9
534.03552	1.6
535.05133	27.8
536.05292	2.4
537.02753	8.5
541.04016	3.9
543.04742	2.9
545.03296	11.5
546.04297	1.7
547.05316	25.0
548.05054	1.2
549.03467	4.3
550.03418	1.1
551.04456	2.7
553.06091	7.7
555.04962	3.0
557.04034	2.5
559.05206	13.5
561.02557	14.5
563.04620	9.4
565.06042	3.5
567.06097	2.0
571.05255	6.1
573.02527	11.4
575.04175	2.3
577.06122	7.4
579.03790	5.0
581.05121	3.5
583.05463	7.6
585.02802	5.0
587.05035	2.1
589.06293	7.0
591.04053	4.1
593.04205	1.5
595.06201	4.1
597.04120	2.7
599.04907	0.8
601.06146	13.3
602.06219	0.9
603.05066	2.3
607.06183	2.0
609.04187	2.7
611.04523	1.0
613.06110	6.8
615.03992	2.7
619.07489	4.2
621.05597	1.1
627.03961	3.0
629.06171	1.1
631.07172	9.0
633.05133	0.9
639.04199	1.4
645.04993	1.6
649.08063	5.9
657.04535	2.1
663.05493	1.9
667.08630	2.0
675.05560	2.4
681.06915	1.4
693.06458	1.6
711.08301	1.5
729.08984	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	1.6
53.03953	11.6
65.03935	1.3
71.16504	0.9
77.03925	3.4
77.90276	0.4
79.05497	47.7
81.03442	1.1
81.41113	0.5
90.53098	0.4
95.04362	0.7
95.04974	16.5
103.05475	29.9
103.94264	0.5
105.04548	4.1
105.07037	100.0
106.07357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01585	0.5
51.02384	1.4
53.03947	11.0
55.01870	0.3
57.02736	0.3
65.03945	1.0
65.62576	0.2
70.73893	0.7
70.74235	0.3
77.03925	2.6
79.05494	46.5
80.05819	0.3
81.03429	1.4
95.04974	15.2
96.19363	0.3
96.40784	0.3
98.21171	0.4
103.05472	29.6
105.04546	4.7
105.07033	100.0
106.07355	1.2
118.06543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.9
53.03950	15.4
55.01837	0.8
69.49022	5.4
76.37822	0.7
77.03934	3.7
79.05499	47.8
81.03418	1.7
90.02639	0.7
95.04974	19.4
98.20943	2.4
103.05476	31.6
105.03413	2.1
105.04530	6.6
105.07036	100.0
106.07374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01594	1.0
51.02369	2.3
53.03950	15.2
53.05060	0.5
55.76509	0.5
64.70062	0.6
65.03939	1.5
69.71605	0.5
70.85580	1.6
77.03931	4.4
79.05497	49.7
80.97563	0.5
81.03428	1.1
83.45899	0.6
95.04971	18.5
103.01685	0.6
103.05475	33.3
105.03423	2.9
105.04533	6.7
105.07034	100.0
106.06601	0.6
106.07385	1.0
123.92124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01215	0.2
58.06601	5.9
59.07389	1.4
60.08165	52.4
61.58310	0.2
62.92990	0.3
68.76165	0.2
69.03424	0.3
70.74881	0.4
73.44553	0.2
87.04465	0.5
101.88599	0.2
104.10746	100.0
105.11085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
77.53304	0.6
77.79912	0.5
79.01859	2.0
79.05495	6.5
81.03436	4.4
81.07058	6.0
83.04998	1.6
83.08602	0.6
85.02914	2.8
91.05491	6.2
93.07049	2.8
95.04985	1.2
95.08622	1.9
97.02885	4.4
97.03447	0.7
98.21461	1.2
99.04437	1.2
103.05457	0.9
105.07036	7.1
107.01326	1.3
107.04975	4.5
107.05584	0.7
107.08603	16.2
109.02875	5.0
109.06477	3.3
109.10191	4.1
115.05437	1.8
117.07041	2.3
119.08585	2.8
121.06514	1.9
121.10152	10.8
122.07284	4.0
123.08101	0.8
125.02345	2.8
127.03909	7.8
131.08543	3.2
133.10135	96.0
134.10498	1.3
135.08055	8.2
135.11719	1.4
137.09624	50.4
143.03395	3.3
143.08536	1.0
145.04980	1.9
145.10135	0.9
147.04413	0.6
147.11673	2.0
149.09634	2.5
149.13274	9.5
151.07483	0.6
153.01836	100.0
154.02213	1.3
158.10902	1.4
161.09659	0.8
163.14856	1.0
165.93552	0.6
170.04985	0.7
171.02898	16.6
173.13260	5.6
175.47594	0.6
191.14316	71.6
192.14671	1.9
209.15384	16.0
215.16786	0.7
228.36156	0.6
279.04984	1.3
297.06061	7.7
315.07104	32.3
316.07678	0.6
331.02274	0.7
487.19287	1.6
505.20557	2.6
580.83221	0.7
841.91565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.8
50.30935	0.6
51.02373	1.8
53.03697	0.9
53.03951	15.5
65.03940	1.4
66.04723	0.5
68.78703	0.5
68.79504	0.6
69.66182	3.4
77.03926	2.9
78.04716	0.5
78.66231	0.6
79.05499	48.7
81.03422	1.5
94.84405	0.6
95.04976	21.3
98.21047	2.0
103.05479	31.2
103.59244	0.5
105.03405	2.5
105.04533	6.7
105.07037	100.0
106.06625	0.7
106.07291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	4.4
59.07383	1.4
59.95212	0.2
60.08165	49.8
68.05024	0.4
69.03429	1.1
70.36074	0.7
81.56754	0.2
86.06066	0.8
87.04469	2.8
88.07657	0.2
94.84105	0.2
96.17670	0.2
98.21273	0.3
104.10746	100.0
105.11062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	3.8
77.03925	3.1
77.46841	1.8
79.05493	85.0
81.03425	20.6
81.07056	100.0
83.04983	17.8
83.08617	24.5
85.02911	14.0
85.06541	4.4
86.65689	1.7
87.04482	2.0
91.03950	5.2
91.05477	85.5
93.07043	76.4
95.04966	24.6
95.08601	56.6
97.02887	13.0
97.06526	30.2
97.10167	14.2
98.20983	2.3
99.04488	2.5
99.08102	4.7
103.05486	4.0
105.04527	2.2
105.07034	65.1
105.39795	2.1
105.49176	1.8
107.04947	17.8
107.08594	52.5
107.09293	4.1
109.02872	3.2
109.06492	13.5
109.10152	39.8
111.08085	8.8
115.05449	4.7
117.07015	25.9
119.04956	2.0
119.08574	43.0
120.05612	2.5
120.64478	2.2
121.06510	8.4
121.10128	22.2
123.08073	10.2
123.11674	4.8
125.09625	14.3
127.03913	6.7
128.06215	3.6
129.05493	3.0
129.06998	13.5
130.07811	2.5
131.08562	36.0
133.06462	5.1
133.10130	37.7
135.04402	2.1
135.08051	7.3
135.11684	20.9
137.06033	2.2
137.09627	16.6
139.07632	2.1
139.11142	2.1
141.07002	6.9
142.07880	2.0
143.08577	9.9
145.06570	2.1
145.10121	29.0
147.08032	4.4
147.11667	19.9
149.09625	34.7
149.13254	14.9
151.11217	3.3
155.08586	8.0
155.10623	2.7
157.10109	10.4
159.08148	2.1
159.10402	2.9
159.11684	23.3
161.09644	5.9
161.13263	7.6
163.11188	18.7
165.09111	2.1
165.12738	2.0
169.10161	9.2
171.08105	2.2
171.10268	3.8
171.11699	6.8
173.04408	3.1
173.11749	12.5
173.13272	10.3
175.11116	3.5
177.12784	7.0
179.14343	7.1
180.33289	1.9
181.12273	3.2
183.11674	6.9
185.09671	2.8
185.13232	4.1
187.11256	2.7
187.14842	3.6
189.11218	8.5
189.12756	3.4
191.14470	2.4
193.12230	4.0
195.11884	2.7
195.13803	9.4
197.13293	5.2
199.14862	2.7
201.12775	2.4
205.12120	3.1
215.14310	2.2
227.12729	13.4
229.14351	18.0
229.19437	3.4
239.18034	5.3
245.19073	2.4
247.20607	5.9
249.14804	2.1
253.14436	2.5
255.15936	7.7
257.19061	10.7
267.15900	5.6
269.17413	20.9
273.18530	5.6
275.20038	64.6
276.20557	2.1
291.19366	11.5
293.20963	6.0
331.22580	4.4
347.22290	2.1
349.19247	2.8
349.23694	58.7
365.23322	6.7
367.24734	3.8
383.24072	2.8
409.25751	7.3
423.27554	14.2
431.27969	2.9
499.34140	2.1
503.33786	9.4
527.37207	3.2
529.35120	8.0
543.36804	32.2
559.36377	3.2
561.37836	3.2
623.43158	14.3
641.44006	6.4
962.45428	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
51.31704	0.5
53.03950	19.9
55.01873	1.4
57.03436	0.9
65.63319	0.6
71.56608	0.7
73.50339	0.5
77.03947	2.7
81.03424	1.9
85.02897	1.7
86.03267	0.9
95.04975	25.1
102.04694	3.8
103.04005	2.1
103.05473	100.0
103.09501	0.6
104.05820	1.2
105.04522	8.0
121.18565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	3.8
77.03925	3.1
77.46841	1.8
79.05493	85.0
81.03425	20.6
81.07056	100.0
83.04983	17.8
83.08617	24.5
85.02911	14.0
85.06541	4.4
86.65689	1.7
87.04482	2.0
91.03950	5.2
91.05477	85.5
93.07043	76.4
95.04966	24.6
95.08601	56.6
97.02887	13.0
97.06526	30.2
97.10167	14.2
98.20983	2.3
99.04488	2.5
99.08102	4.7
103.05486	4.0
105.04527	2.2
105.07034	65.1
105.39795	2.1
105.49176	1.8
107.04947	17.8
107.08594	52.5
107.09293	4.1
109.02872	3.2
109.06492	13.5
109.10152	39.8
111.08085	8.8
115.05449	4.7
117.07015	25.9
119.04956	2.0
119.08574	43.0
120.05612	2.5
120.64478	2.2
121.06510	8.4
121.10128	22.2
123.08073	10.2
123.11674	4.8
125.09625	14.3
127.03913	6.7
128.06215	3.6
129.05493	3.0
129.06998	13.5
130.07811	2.5
131.08562	36.0
133.06462	5.1
133.10130	37.7
135.04402	2.1
135.08051	7.3
135.11684	20.9
137.06033	2.2
137.09627	16.6
139.07632	2.1
139.11142	2.1
141.07002	6.9
142.07880	2.0
143.08577	9.9
145.06570	2.1
145.10121	29.0
147.08032	4.4
147.11667	19.9
149.09625	34.7
149.13254	14.9
151.11217	3.3
155.08586	8.0
155.10623	2.7
157.10109	10.4
159.08148	2.1
159.10402	2.9
159.11684	23.3
161.09644	5.9
161.13263	7.6
163.11188	18.7
165.09111	2.1
165.12738	2.0
169.10161	9.2
171.08105	2.2
171.10268	3.8
171.11699	6.8
173.04408	3.1
173.11749	12.5
173.13272	10.3
175.11116	3.5
177.12784	7.0
179.14343	7.1
180.33289	1.9
181.12273	3.2
183.11674	6.9
185.09671	2.8
185.13232	4.1
187.11256	2.7
187.14842	3.6
189.11218	8.5
189.12756	3.4
191.14470	2.4
193.12230	4.0
195.11884	2.7
195.13803	9.4
197.13293	5.2
199.14862	2.7
201.12775	2.4
205.12120	3.1
215.14310	2.2
227.12729	13.4
229.14351	18.0
229.19437	3.4
239.18034	5.3
245.19073	2.4
247.20607	5.9
249.14804	2.1
253.14436	2.5
255.15936	7.7
257.19061	10.7
267.15900	5.6
269.17413	20.9
273.18530	5.6
275.20038	64.6
276.20557	2.1
291.19366	11.5
293.20963	6.0
331.22580	4.4
347.22290	2.1
349.19247	2.8
349.23694	58.7
365.23322	6.7
367.24734	3.8
383.24072	2.8
409.25751	7.3
423.27554	14.2
431.27969	2.9
499.34140	2.1
503.33786	9.4
527.37207	3.2
529.35120	8.0
543.36804	32.2
559.36377	3.2
561.37836	3.2
623.43158	14.3
641.44006	6.4
962.45428	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	102.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01877	1.6
56.02182	0.5
56.05035	19.7
56.05821	0.8
56.96566	94.7
57.03437	9.5
57.07074	2.5
58.06602	2.2
58.50534	4.1
58.96188	0.5
58.99858	0.9
59.06126	1.1
59.52220	0.7
59.96180	3.6
60.04527	21.1
60.05646	0.5
60.08152	1.0
60.95853	100.0
60.99633	1.8
61.02917	0.9
61.47408	0.4
61.87040	0.4
65.52213	0.9
67.05505	1.0
67.51072	16.9
68.01268	0.6
68.02641	0.7
69.01915	0.9
70.01329	3.3
70.48021	1.2
70.98135	0.6
71.02991	2.0
71.95277	2.5
72.08138	0.5
72.52975	0.5
74.02444	2.5
74.03259	0.6
74.06081	5.0
74.09718	1.5
74.94902	0.6
74.97601	1.0
75.01971	0.8
75.20086	0.5
75.94550	2.0
76.51592	9.7
76.52011	0.8
77.00883	1.2
78.52973	1.2
78.96890	1.1
79.00665	0.8
79.01393	1.3
79.01859	26.1
79.05511	0.5
79.52050	1.0
80.52695	0.6
81.03427	0.9
82.01456	0.8
83.06087	0.6
84.01195	3.0
84.04507	11.3
84.08147	5.7
85.02906	46.1
85.06551	0.9
85.07667	0.6
85.52079	0.8
86.02661	0.9
88.01842	0.8
88.02366	15.3
88.51579	6.5
88.52525	0.7
90.01524	0.5
90.52660	1.6
95.03169	0.9
97.02348	0.5
97.02905	2.2
97.52094	2.5
98.21178	0.9
99.53181	1.3
100.02477	4.2
101.00900	1.8
101.95043	3.0
101.97167	1.4
102.01025	2.0
102.02234	23.7
102.05542	17.0
102.09186	7.6
102.10252	2.6
102.12816	4.9
102.96884	2.9
103.03954	1.6
109.00498	0.7
113.11801	0.5
116.98534	0.5
118.03545	2.7
119.01933	5.9
119.96039	1.5
119.98249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.1
51.02384	3.5
53.03949	28.1
55.01870	1.3
56.96560	2.2
57.03430	2.2
60.95858	4.7
61.53165	0.6
67.71084	0.5
70.68110	1.1
70.68449	0.8
75.94539	0.7
77.03934	5.0
81.03416	2.3
85.02918	4.0
95.04973	39.8
97.52107	0.5
102.04704	5.4
102.96861	1.8
103.04028	4.5
103.05473	100.0
104.05800	0.8
105.04507	10.0
109.02905	0.9
120.97904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01624	1.2
55.01874	18.5
55.05516	29.7
56.05040	3.6
56.96571	4.8
57.03440	4.2
58.00586	0.7
58.99591	1.0
58.99865	1.9
59.05005	13.0
59.06135	5.1
59.93114	1.9
59.99954	1.0
60.04517	1.2
60.53445	0.7
63.28183	0.6
68.02640	1.4
69.03423	1.0
70.97510	1.2
71.01366	5.3
71.04993	1.9
72.52967	3.2
73.02919	27.8
77.00895	3.0
79.01853	1.6
81.53497	1.1
82.01462	1.1
82.99866	0.8
83.01448	1.1
83.04985	14.0
84.01645	1.5
84.02418	0.9
84.04509	4.2
85.02905	5.8
85.51923	0.9
86.52718	3.6
87.02825	0.8
89.00258	2.4
95.01952	1.3
98.00761	1.4
98.98455	1.2
100.02493	6.9
100.98907	6.0
101.00894	14.5
101.01709	1.9
101.02428	21.2
101.06024	8.2
101.07202	1.4
101.07949	2.6
102.02229	1.6
102.05565	1.2
102.09147	1.4
113.00849	0.6
117.95984	1.6
118.03540	3.6
119.01927	100.0
119.03603	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05512	1.7
56.05026	0.5
56.96567	13.7
57.03431	1.2
58.96168	3.6
58.99862	0.9
59.04992	1.0
59.96173	0.8
59.99941	0.5
60.95850	2.1
68.00260	0.6
68.02644	1.1
69.88593	1.0
69.88996	1.1
70.98122	0.7
70.99854	0.6
71.04927	0.4
71.95254	1.0
73.02926	2.1
73.94831	0.7
75.01051	1.1
77.00816	1.4
79.01837	0.9
82.99857	1.4
83.00781	1.2
83.01494	1.9
83.04977	0.5
84.01591	0.7
85.02908	0.6
86.01336	0.5
89.00270	0.7
89.00796	0.7
90.01552	0.6
92.01296	1.0
98.00774	0.8
98.01319	0.5
98.20841	0.9
98.21400	0.7
98.97587	3.6
100.02493	1.4
100.97200	2.0
100.98000	1.1
101.00886	27.1
101.02546	5.6
101.06019	0.4
102.02235	0.9
110.97546	0.9
115.01259	0.5
116.98650	1.1
118.03565	0.4
118.98206	1.3
119.01923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15145	1.1
56.96556	3.5
58.96152	1.6
59.06114	3.6
59.99942	1.4
60.95846	2.1
71.32909	1.6
71.33276	1.3
78.01024	1.9
82.99853	2.6
83.01488	7.9
86.70200	1.3
98.21172	1.7
101.00890	32.2
101.02561	27.0
102.02249	3.8
119.01928	100.0
119.03629	10.3
END